*HEADER    STRUCTURAL GENOMICS                     05-JUN-07   2JQN              
*TITLE     SOLUTION NMR STRUCTURE OF CC0527 FROM CAULOBACTER                     
*TITLE    2 CRESCENTUS. NORTHEAST STRUCTURAL GENOMICS TARGET CCR55               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYPOTHETICAL PROTEIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CAULOBACTER CRESCENTUS;                         
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 GENE: CC0527;                                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)MGK;                              
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: CCR55-21.3                                 
*KEYWDS    SOLUTION NMR STRUCTURE, STRUCTURAL GENOMICS, PSI-2, PROTEIN           
*KEYWDS   2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS                  
*KEYWDS   3 CONSORTIUM, NESG                                                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.M.ARAMINI, P.ROSSI, H.N.B.MOSELEY, D.WANG, C.NWOSU,                 
*AUTHOR   2 K.CUNNINGHAM, L.MA, R.XIAO, J.LIU, M.C.BARAN, G.V.T.SWAPNA,          
*AUTHOR   3 T.B.ACTON, B.ROST, G.T.MONTELIONE, NORTHEAST STRUCTURAL              
*AUTHOR   4 GENOMICS CONSORTIUM (NESG)                                           
*REVDAT   1   03-JUL-07 2JQN    0                                                


! Final combined constraints used in the CNS refinement of CcR55
! Distance constraints; sum averaging
assign (resid 2 and name HA )(resid 2 and name HG2# ) 4.0 2.2 1
assign (resid 2 and name HA )(resid 3 and name HN ) 3.0 1.2 0.5
assign (resid 2 and name HB )(resid 63 and name HB# ) 4.0 2.2 1
assign (resid 2 and name HG2# )(resid 3 and name HN ) 4.0 2.2 1
assign (resid 2 and name HG2# )(resid 72 and name HZ2 ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 3 and name HA ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 3 and name HB2 ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 3 and name HB1 ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 3 and name HG ) 4.0 2.2 1
assign (resid 3 and name HN )(resid 3 and name HD2# ) 4.0 2.2 1
assign (resid 3 and name HA )(resid 3 and name HG ) 4.0 2.2 1
assign (resid 3 and name HA )(resid 3 and name HD2# ) 4.0 2.2 1
assign (resid 3 and name HA )(resid 4 and name HN ) 3.0 1.2 0.5
assign (resid 3 and name HA )(resid 62 and name HA ) 4.0 2.2 1
assign (resid 3 and name HB# )(resid 3 and name HD1# ) 4.0 2.2 1
assign (resid 3 and name HB# )(resid 4 and name HN ) 4.0 2.2 1
assign (resid 3 and name HB2 )(resid 5 and name HE# ) 4.0 2.2 1
assign (resid 3 and name HB1 )(resid 5 and name HE# ) 4.0 2.2 1
assign (resid 3 and name HG )(resid 5 and name HE# ) 4.0 2.2 1
assign (resid 3 and name HD2# )(resid 4 and name HN ) 4.0 2.2 1
assign (resid 3 and name HD1# )(resid 60 and name HB# ) 4.0 2.2 1
assign (resid 3 and name HD2# )(resid 60 and name HB# ) 4.0 2.2 1
assign (resid 3 and name HD2# )(resid 62 and name HN ) 4.0 2.2 1
assign (resid 3 and name HD2# )(resid 62 and name HA ) 4.0 2.2 1
assign (resid 3 and name HD2# )(resid 62 and name HG2 ) 4.0 2.2 1
assign (resid 3 and name HD2# )(resid 62 and name HG1 ) 4.0 2.2 1
assign (resid 3 and name HD2# )(resid 63 and name HN ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 4 and name HA ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 4 and name HB ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 4 and name HG1# ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 4 and name HG2# ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 4 and name HD1# ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 62 and name HA ) 4.0 2.2 1
assign (resid 4 and name HN )(resid 63 and name HN ) 4.0 2.2 1
assign (resid 4 and name HA )(resid 4 and name HG2# ) 4.0 2.2 1
assign (resid 4 and name HA )(resid 5 and name HD# ) 4.0 2.2 1
assign (resid 4 and name HA )(resid 5 and name HN ) 3.0 1.2 0.5
assign (resid 4 and name HA )(resid 38 and name HA ) 4.0 2.2 1
assign (resid 4 and name HB )(resid 4 and name HD1# ) 4.0 2.2 1
assign (resid 4 and name HB )(resid 5 and name HD# ) 4.0 2.2 1
assign (resid 4 and name HB )(resid 5 and name HN ) 4.0 2.2 1
assign (resid 4 and name HG1# )(resid 5 and name HN ) 4.0 2.2 1
assign (resid 4 and name HG1# )(resid 36 and name HD2# ) 4.0 2.2 1
assign (resid 4 and name HG1# )(resid 61 and name HB ) 4.0 2.2 1
assign (resid 4 and name HG1# )(resid 61 and name HG2# ) 4.0 2.2 1
assign (resid 4 and name HG1# )(resid 63 and name HB# ) 4.0 2.2 1
assign (resid 4 and name HG2# )(resid 4 and name HD1# ) 4.0 2.2 1
assign (resid 4 and name HG2# )(resid 5 and name HN ) 4.0 2.2 1
assign (resid 4 and name HG2# )(resid 38 and name HA ) 4.0 2.2 1
assign (resid 4 and name HG2# )(resid 38 and name HB# ) 4.0 2.2 1
assign (resid 4 and name HG2# )(resid 63 and name HB# ) 4.0 2.2 1
assign (resid 4 and name HG2# )(resid 72 and name HZ2 ) 4.0 2.2 1
assign (resid 4 and name HG2# )(resid 72 and name HH2 ) 4.0 2.2 1
assign (resid 4 and name HG2# )(resid 82 and name HG# ) 4.0 2.2 1
assign (resid 4 and name HD1# )(resid 5 and name HN ) 4.0 2.2 1
assign (resid 4 and name HD1# )(resid 36 and name HD1# ) 4.0 2.2 1
assign (resid 4 and name HD1# )(resid 63 and name HA ) 4.0 2.2 1
assign (resid 4 and name HD1# )(resid 63 and name HB# ) 4.0 2.2 1
assign (resid 4 and name HD1# )(resid 66 and name HD1# ) 4.0 2.2 1
assign (resid 4 and name HD1# )(resid 70 and name HD1# ) 4.0 2.2 1
assign (resid 4 and name HD1# )(resid 70 and name HD2# ) 4.0 2.2 1
assign (resid 4 and name HD1# )(resid 82 and name HB2 ) 4.0 2.2 1
assign (resid 4 and name HD1# )(resid 82 and name HB1 ) 4.0 2.2 1
assign (resid 5 and name HD# )(resid 6 and name HN ) 4.0 2.2 1
assign (resid 5 and name HD# )(resid 38 and name HA ) 4.0 2.2 1
assign (resid 5 and name HD# )(resid 39 and name HN ) 4.0 2.2 1
assign (resid 5 and name HD# )(resid 39 and name HA2 ) 4.0 2.2 1
assign (resid 5 and name HD# )(resid 39 and name HA1 ) 4.0 2.2 1
assign (resid 5 and name HD# )(resid 42 and name HB# ) 4.0 2.2 1
assign (resid 5 and name HD# )(resid 58 and name HG ) 4.0 2.2 1
assign (resid 5 and name HD# )(resid 58 and name HD1# ) 4.0 2.2 1
assign (resid 5 and name HD# )(resid 58 and name HD2# ) 4.0 2.2 1
assign (resid 5 and name HD# )(resid 60 and name HA ) 4.0 2.2 1
assign (resid 5 and name HD# )(resid 60 and name HB# ) 4.0 2.2 1
assign (resid 5 and name HD# )(resid 113 and name HD2# ) 4.0 2.2 2      !v. weak increase bound to 6A
assign (resid 5 and name HE# )(resid 39 and name HN ) 4.0 2.2 1
assign (resid 5 and name HE# )(resid 39 and name HA2 ) 4.0 2.2 1
assign (resid 5 and name HE# )(resid 39 and name HA1 ) 4.0 2.2 1
assign (resid 5 and name HE# )(resid 58 and name HD2# ) 4.0 2.2 1
assign (resid 5 and name HE# )(resid 60 and name HB# ) 4.0 2.2 1
assign (resid 5 and name HE# )(resid 113 and name HD2# ) 4.0 2.2 1
assign (resid 5 and name HN )(resid 5 and name HD# ) 4.0 2.2 1
assign (resid 5 and name HN )(resid 5 and name HA ) 4.0 2.2 1
assign (resid 5 and name HN )(resid 5 and name HB2 ) 4.0 2.2 1
assign (resid 5 and name HN )(resid 5 and name HB1 ) 4.0 2.2 1
assign (resid 5 and name HN )(resid 36 and name HD2# ) 4.0 2.2 1
assign (resid 5 and name HA )(resid 5 and name HD# ) 4.0 2.2 1
assign (resid 5 and name HA )(resid 6 and name HN ) 3.0 1.2 0.5
assign (resid 5 and name HA )(resid 36 and name HD2# ) 4.0 2.2 1
assign (resid 5 and name HA )(resid 60 and name HA ) 4.0 2.2 1
assign (resid 5 and name HA )(resid 61 and name HN ) 4.0 2.2 1
assign (resid 5 and name HB2 )(resid 5 and name HD# ) 4.0 2.2 1
assign (resid 5 and name HB1 )(resid 5 and name HD# ) 4.0 2.2 1
assign (resid 5 and name HB2 )(resid 6 and name HN ) 4.0 2.2 1
assign (resid 5 and name HB1 )(resid 6 and name HN ) 4.0 2.2 1
assign (resid 5 and name HB# )(resid 6 and name HA ) 4.0 2.2 1
assign (resid 5 and name HB# )(resid 42 and name HB# ) 4.0 2.2 1
assign (resid 5 and name HB2 )(resid 58 and name HD1# ) 4.0 2.2 1
assign (resid 5 and name HB1 )(resid 58 and name HD1# ) 4.0 2.2 1
assign (resid 6 and name HN )(resid 6 and name HA ) 4.0 2.2 1
assign (resid 6 and name HN )(resid 6 and name HB2 ) 4.0 2.2 1
assign (resid 6 and name HN )(resid 6 and name HB1 ) 4.0 2.2 1
assign (resid 6 and name HN )(resid 36 and name HD2# ) 4.0 2.2 1
assign (resid 6 and name HN )(resid 58 and name HD1# ) 4.0 2.2 1
assign (resid 6 and name HN )(resid 59 and name HN ) 4.0 2.2 1
assign (resid 6 and name HA )(resid 6 and name HG2 ) 4.0 2.2 1
assign (resid 6 and name HA )(resid 6 and name HG1 ) 4.0 2.2 1
assign (resid 6 and name HA )(resid 6 and name HD2 ) 4.0 2.2 1
assign (resid 6 and name HA )(resid 6 and name HD1 ) 4.0 2.2 1
assign (resid 6 and name HA )(resid 7 and name HN ) 3.0 1.2 0.5
assign (resid 6 and name HA )(resid 36 and name HA ) 4.0 2.2 1
assign (resid 6 and name HA )(resid 36 and name HD2# ) 4.0 2.2 1
assign (resid 6 and name HB2 )(resid 36 and name HD2# ) 4.0 2.2 1
assign (resid 6 and name HB1 )(resid 36 and name HD2# ) 4.0 2.2 1
assign (resid 6 and name HB2 )(resid 59 and name HB# ) 4.0 2.2 1
assign (resid 6 and name HB1 )(resid 59 and name HB# ) 4.0 2.2 1
assign (resid 6 and name HB2 )(resid 59 and name HD1# ) 4.0 2.2 1
assign (resid 6 and name HB1 )(resid 59 and name HD1# ) 4.0 2.2 1
assign (resid 6 and name HG2 )(resid 6 and name HE# ) 4.0 2.2 1
assign (resid 6 and name HG1 )(resid 6 and name HE# ) 4.0 2.2 1
assign (resid 6 and name HG2 )(resid 7 and name HN ) 4.0 2.2 1
assign (resid 6 and name HG1 )(resid 7 and name HN ) 4.0 2.2 1
assign (resid 6 and name HG# )(resid 7 and name HA ) 4.0 2.2 1
assign (resid 6 and name HG# )(resid 34 and name HG2# ) 4.0 2.2 1
assign (resid 6 and name HG# )(resid 36 and name HD2# ) 4.0 2.2 1
assign (resid 6 and name HD2 )(resid 34 and name HG2# ) 4.0 2.2 1
assign (resid 6 and name HD1 )(resid 34 and name HG2# ) 4.0 2.2 1
assign (resid 6 and name HD# )(resid 36 and name HD2# ) 4.0 2.2 1
assign (resid 6 and name HE2 )(resid 22 and name HD# ) 4.0 2.2 1
assign (resid 6 and name HE1 )(resid 22 and name HD# ) 4.0 2.2 1
assign (resid 6 and name HE2 )(resid 34 and name HG2# ) 4.0 2.2 1
assign (resid 6 and name HE1 )(resid 34 and name HG2# ) 4.0 2.2 1
assign (resid 7 and name HN )(resid 7 and name HA ) 4.0 2.2 1
assign (resid 7 and name HN )(resid 7 and name HB ) 4.0 2.2 1
assign (resid 7 and name HN )(resid 7 and name HG12 ) 4.0 2.2 1
assign (resid 7 and name HN )(resid 7 and name HG11 ) 4.0 2.2 1
assign (resid 7 and name HN )(resid 7 and name HG2# ) 4.0 2.2 1
assign (resid 7 and name HN )(resid 7 and name HD1# ) 4.0 2.2 1
assign (resid 7 and name HA )(resid 7 and name HG12 ) 4.0 2.2 1
assign (resid 7 and name HA )(resid 7 and name HG11 ) 4.0 2.2 1
assign (resid 7 and name HA )(resid 7 and name HG2# ) 4.0 2.2 1
assign (resid 7 and name HA )(resid 7 and name HD1# ) 4.0 2.2 1
assign (resid 7 and name HA )(resid 8 and name HN ) 3.0 1.2 0.5
assign (resid 7 and name HA )(resid 58 and name HB# ) 4.0 2.2 1
assign (resid 7 and name HB )(resid 7 and name HD1# ) 4.0 2.2 1
assign (resid 7 and name HB )(resid 8 and name HN ) 4.0 2.2 1
assign (resid 7 and name HB )(resid 50 and name HD# ) 4.0 2.2 1
assign (resid 7 and name HG12 )(resid 7 and name HG2# ) 4.0 2.2 1
assign (resid 7 and name HG11 )(resid 7 and name HG2# ) 4.0 2.2 1
assign (resid 7 and name HG1# )(resid 8 and name HN ) 4.0 2.2 1
assign (resid 7 and name HG12 )(resid 46 and name HB# ) 4.0 2.2 1
assign (resid 7 and name HG11 )(resid 46 and name HB# ) 4.0 2.2 1
assign (resid 7 and name HG12 )(resid 58 and name HD1# ) 4.0 2.2 1
assign (resid 7 and name HG11 )(resid 58 and name HD1# ) 4.0 2.2 1
assign (resid 7 and name HG2# )(resid 7 and name HD1# ) 4.0 2.2 1
assign (resid 7 and name HG2# )(resid 8 and name HN ) 4.0 2.2 1
assign (resid 7 and name HG2# )(resid 8 and name HA ) 4.0 2.2 1
assign (resid 7 and name HG2# )(resid 46 and name HB# ) 4.0 2.2 1
assign (resid 7 and name HG2# )(resid 50 and name HD# ) 4.0 2.2 1
assign (resid 7 and name HG2# )(resid 56 and name HB# ) 4.0 2.2 1
assign (resid 7 and name HG2# )(resid 56 and name HD1# ) 4.0 2.2 1
assign (resid 7 and name HG2# )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 7 and name HG2# )(resid 57 and name HN ) 4.0 2.2 1
assign (resid 7 and name HG2# )(resid 58 and name HA ) 4.0 2.2 1
assign (resid 7 and name HD1# )(resid 45 and name HG2# ) 4.0 2.2 1
assign (resid 7 and name HD1# )(resid 46 and name HN ) 4.0 2.2 1
assign (resid 7 and name HD1# )(resid 46 and name HA ) 4.0 2.2 1
assign (resid 7 and name HD1# )(resid 46 and name HB# ) 4.0 2.2 1
assign (resid 7 and name HD1# )(resid 50 and name HD# ) 4.0 2.2 1
assign (resid 7 and name HD1# )(resid 50 and name HB# ) 4.0 2.2 1
assign (resid 8 and name HN )(resid 8 and name HA ) 4.0 2.2 1
assign (resid 8 and name HN )(resid 8 and name HB# ) 4.0 2.2 1
assign (resid 8 and name HN )(resid 8 and name HG ) 4.0 2.2 1
assign (resid 8 and name HN )(resid 8 and name HD2# ) 4.0 2.2 1
assign (resid 8 and name HN )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 8 and name HN )(resid 57 and name HN ) 4.0 2.2 1
assign (resid 8 and name HN )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 8 and name HN )(resid 58 and name HA ) 4.0 2.2 1
assign (resid 8 and name HA )(resid 8 and name HD1# ) 4.0 2.2 1
assign (resid 8 and name HA )(resid 8 and name HD2# ) 4.0 2.2 1
assign (resid 8 and name HA )(resid 9 and name HN ) 4.0 2.2 1
assign (resid 8 and name HB2 )(resid 8 and name HD1# ) 4.0 2.2 1
assign (resid 8 and name HB1 )(resid 8 and name HD1# ) 4.0 2.2 1
assign (resid 8 and name HB1 )(resid 8 and name HD2# ) 4.0 2.2 1
assign (resid 8 and name HB2 )(resid 9 and name HN ) 4.0 2.2 1
assign (resid 8 and name HB1 )(resid 9 and name HN ) 4.0 2.2 1
assign (resid 8 and name HG )(resid 13 and name HN ) 4.0 2.2 1
assign (resid 8 and name HD1# )(resid 9 and name HN ) 4.0 2.2 1
assign (resid 8 and name HD1# )(resid 12 and name HN ) 4.0 2.2 1
assign (resid 8 and name HD1# )(resid 12 and name HB2 ) 4.0 2.2 1
assign (resid 8 and name HD1# )(resid 12 and name HB1 ) 4.0 2.2 1
assign (resid 8 and name HD1# )(resid 13 and name HN ) 4.0 2.2 1
assign (resid 8 and name HD1# )(resid 13 and name HA ) 4.0 2.2 1
assign (resid 8 and name HD1# )(resid 13 and name HB2 ) 4.0 2.2 1
assign (resid 8 and name HD1# )(resid 13 and name HB1 ) 4.0 2.2 1
assign (resid 8 and name HD2# )(resid 13 and name HB2 ) 4.0 2.2 1
assign (resid 8 and name HD2# )(resid 13 and name HB1 ) 4.0 2.2 1
assign (resid 8 and name HD1# )(resid 13 and name HE3 ) 4.0 2.2 1
assign (resid 8 and name HD2# )(resid 13 and name HE3 ) 4.0 2.2 1
assign (resid 8 and name HD1# )(resid 22 and name HD# ) 4.0 2.2 1
assign (resid 8 and name HD2# )(resid 57 and name HN ) 4.0 2.2 1
assign (resid 8 and name HD2# )(resid 57 and name HB ) 4.0 2.2 1
assign (resid 8 and name HD2# )(resid 57 and name HG1# ) 4.0 2.2 1
assign (resid 8 and name HD2# )(resid 59 and name HG ) 4.0 2.2 1
assign (resid 8 and name HD1# )(resid 59 and name HD1# ) 4.0 2.2 1
assign (resid 8 and name HD2# )(resid 59 and name HD1# ) 4.0 2.2 1
assign (resid 8 and name HD2# )(resid 59 and name HD2# ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 9 and name HA ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 9 and name HB2 ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 9 and name HB1 ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 10 and name HN ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 12 and name HN ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 12 and name HB2 ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 12 and name HB1 ) 4.0 2.2 1
assign (resid 9 and name HN )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 9 and name HA )(resid 10 and name HN ) 3.0 1.2 0.5
assign (resid 9 and name HA )(resid 56 and name HA ) 2.5 0.7 0.4
assign (resid 9 and name HA )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 9 and name HA )(resid 57 and name HN ) 4.0 2.2 1
assign (resid 9 and name HB2 )(resid 10 and name HN ) 4.0 2.2 1
assign (resid 9 and name HB1 )(resid 10 and name HN ) 4.0 2.2 1
assign (resid 9 and name HB# )(resid 11 and name HN ) 4.0 2.2 1
assign (resid 9 and name HB# )(resid 12 and name HN ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 10 and name HA ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 10 and name HB2 ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 10 and name HB1 ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 10 and name HG# ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 11 and name HN ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 12 and name HN ) 4.0 2.2 1
assign (resid 10 and name HN )(resid 55 and name HB# ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 10 and name HG2 ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 10 and name HG1 ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 10 and name HD2 ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 10 and name HD1 ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 11 and name HN ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 13 and name HN ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 13 and name HB2 ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 13 and name HB1 ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 13 and name HD1 ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 14 and name HN ) 4.0 2.2 1
assign (resid 10 and name HA )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 10 and name HB2 )(resid 11 and name HN ) 4.0 2.2 1
assign (resid 10 and name HB1 )(resid 11 and name HN ) 4.0 2.2 1
assign (resid 10 and name HG# )(resid 10 and name HE ) 4.0 2.2 1
assign (resid 10 and name HG# )(resid 13 and name HD1 ) 4.0 2.2 1
assign (resid 10 and name HG# )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 10 and name HD2 )(resid 13 and name HD1 ) 4.0 2.2 1
assign (resid 10 and name HD1 )(resid 13 and name HD1 ) 4.0 2.2 1
assign (resid 10 and name HD2 )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 10 and name HD1 )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 10 and name HE )(resid 13 and name HD1 ) 4.0 2.2 1
assign (resid 10 and name HE )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 11 and name HN )(resid 11 and name HA ) 4.0 2.2 1
assign (resid 11 and name HN )(resid 11 and name HB# ) 4.0 2.2 1
assign (resid 11 and name HN )(resid 12 and name HN ) 3.0 1.2 0.5
assign (resid 11 and name HA )(resid 14 and name HN ) 4.0 2.2 1
assign (resid 11 and name HA )(resid 14 and name HB2 ) 4.0 2.2 1
assign (resid 11 and name HA )(resid 14 and name HB1 ) 4.0 2.2 1
assign (resid 11 and name HB# )(resid 12 and name HN ) 4.0 2.2 1
assign (resid 12 and name HN )(resid 12 and name HA ) 4.0 2.2 1
assign (resid 12 and name HN )(resid 12 and name HB2 ) 4.0 2.2 1
assign (resid 12 and name HN )(resid 12 and name HB1 ) 4.0 2.2 1
assign (resid 12 and name HN )(resid 12 and name HG2 ) 4.0 2.2 1
assign (resid 12 and name HN )(resid 12 and name HG1 ) 4.0 2.2 1
assign (resid 12 and name HN )(resid 13 and name HN ) 3.0 1.2 0.5
assign (resid 12 and name HN )(resid 14 and name HN ) 4.0 2.2 1
assign (resid 12 and name HA )(resid 12 and name HG2 ) 4.0 2.2 1
assign (resid 12 and name HA )(resid 12 and name HG1 ) 4.0 2.2 1
assign (resid 12 and name HA )(resid 13 and name HN ) 4.0 2.2 1
assign (resid 12 and name HA )(resid 15 and name HN ) 4.0 2.2 1
assign (resid 12 and name HA )(resid 15 and name HB# ) 4.0 2.2 1
assign (resid 12 and name HA )(resid 16 and name HN ) 4.0 2.2 1
assign (resid 12 and name HB2 )(resid 13 and name HN ) 4.0 2.2 1
assign (resid 12 and name HB1 )(resid 13 and name HN ) 4.0 2.2 1
assign (resid 13 and name HN )(resid 13 and name HA ) 4.0 2.2 1
assign (resid 13 and name HN )(resid 13 and name HB2 ) 4.0 2.2 1
assign (resid 13 and name HN )(resid 13 and name HB1 ) 4.0 2.2 1
assign (resid 13 and name HN )(resid 13 and name HD1 ) 4.0 2.2 1
assign (resid 13 and name HN )(resid 14 and name HN ) 3.0 1.2 0.5
assign (resid 13 and name HN )(resid 15 and name HN ) 4.0 2.2 1
assign (resid 13 and name HN )(resid 16 and name HN ) 4.0 2.2 1
assign (resid 13 and name HN )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 13 and name HA )(resid 13 and name HE3 ) 4.0 2.2 1
assign (resid 13 and name HA )(resid 13 and name HZ3 ) 4.0 2.2 1
assign (resid 13 and name HA )(resid 16 and name HN ) 4.0 2.2 1
assign (resid 13 and name HA )(resid 16 and name HB# ) 4.0 2.2 1
assign (resid 13 and name HB2 )(resid 13 and name HD1 ) 4.0 2.2 1
assign (resid 13 and name HB1 )(resid 13 and name HD1 ) 4.0 2.2 1
assign (resid 13 and name HB# )(resid 13 and name HE3 ) 4.0 2.2 1
assign (resid 13 and name HB2 )(resid 14 and name HN ) 4.0 2.2 1
assign (resid 13 and name HB1 )(resid 14 and name HN ) 4.0 2.2 1
assign (resid 13 and name HB2 )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 13 and name HB1 )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 13 and name HD1 )(resid 17 and name HD# ) 4.0 2.2 1
assign (resid 13 and name HD1 )(resid 17 and name HE2 ) 4.0 2.2 1
assign (resid 13 and name HD1 )(resid 17 and name HE1 ) 4.0 2.2 1
assign (resid 13 and name HD1 )(resid 57 and name HG1# ) 4.0 2.2 1
assign (resid 13 and name HD1 )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 13 and name HD1 )(resid 59 and name HD2# ) 4.0 2.2 1
assign (resid 13 and name HE1 )(resid 17 and name HD# ) 4.0 2.2 1
assign (resid 13 and name HE1 )(resid 17 and name HE# ) 4.0 2.2 1
assign (resid 13 and name HE1 )(resid 57 and name HG1# ) 4.0 2.2 1
assign (resid 13 and name HE1 )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 13 and name HE1 )(resid 59 and name HD2# ) 4.0 2.2 1
assign (resid 13 and name HE3 )(resid 16 and name HB# ) 4.0 2.2 1
assign (resid 13 and name HE3 )(resid 59 and name HD1# ) 4.0 2.2 1
assign (resid 13 and name HZ2 )(resid 17 and name HG# ) 4.0 2.2 1
assign (resid 13 and name HZ2 )(resid 17 and name HD# ) 4.0 2.2 1
assign (resid 13 and name HZ2 )(resid 59 and name HD2# ) 4.0 2.2 1
assign (resid 13 and name HZ2 )(resid 90 and name HG1# ) 4.0 2.2 1
assign (resid 13 and name HZ2 )(resid 93 and name HB ) 4.0 2.2 1
assign (resid 13 and name HZ2 )(resid 93 and name HG2# ) 4.0 2.2 1
assign (resid 13 and name HZ2 )(resid 96 and name HB# ) 4.0 2.2 1
assign (resid 13 and name HZ3 )(resid 16 and name HB# ) 4.0 2.2 1
assign (resid 13 and name HZ3 )(resid 22 and name HD# ) 4.0 2.2 1
assign (resid 13 and name HZ3 )(resid 22 and name HB# ) 4.0 2.2 1
assign (resid 13 and name HZ3 )(resid 59 and name HD1# ) 4.0 2.2 1
assign (resid 13 and name HZ3 )(resid 90 and name HA ) 4.0 2.2 1
assign (resid 13 and name HZ3 )(resid 90 and name HG2# ) 4.0 2.2 1
assign (resid 13 and name HZ3 )(resid 93 and name HG2# ) 4.0 2.2 1
assign (resid 13 and name HH2 )(resid 90 and name HA ) 4.0 2.2 1
assign (resid 13 and name HH2 )(resid 90 and name HG1# ) 4.0 2.2 1
assign (resid 13 and name HH2 )(resid 90 and name HG2# ) 4.0 2.2 1
assign (resid 13 and name HH2 )(resid 93 and name HB ) 4.0 2.2 1
assign (resid 13 and name HH2 )(resid 93 and name HG1# ) 4.0 2.2 1
assign (resid 13 and name HH2 )(resid 93 and name HG2# ) 4.0 2.2 1
assign (resid 14 and name HN )(resid 14 and name HA ) 4.0 2.2 1
assign (resid 14 and name HN )(resid 14 and name HB2 ) 4.0 2.2 1
assign (resid 14 and name HN )(resid 14 and name HB1 ) 4.0 2.2 1
assign (resid 14 and name HN )(resid 15 and name HN ) 3.0 1.2 0.5
assign (resid 14 and name HN )(resid 15 and name HB# ) 4.0 2.2 1
assign (resid 14 and name HN )(resid 16 and name HN ) 4.0 2.2 1
assign (resid 14 and name HA )(resid 15 and name HN ) 4.0 2.2 1
assign (resid 14 and name HA )(resid 17 and name HN ) 4.0 2.2 1
assign (resid 14 and name HA )(resid 17 and name HB# ) 3.0 1.2 0.5
assign (resid 14 and name HA )(resid 17 and name HG# ) 4.0 2.2 1
assign (resid 14 and name HA )(resid 17 and name HE2 ) 4.0 2.2 1
assign (resid 14 and name HA )(resid 17 and name HE1 ) 4.0 2.2 1
assign (resid 14 and name HB2 )(resid 15 and name HN ) 4.0 2.2 1
assign (resid 14 and name HB1 )(resid 15 and name HN ) 4.0 2.2 1
assign (resid 14 and name HB2 )(resid 15 and name HB# ) 4.0 2.2 1
assign (resid 14 and name HB1 )(resid 15 and name HB# ) 4.0 2.2 1
assign (resid 15 and name HN )(resid 15 and name HA ) 4.0 2.2 1
assign (resid 15 and name HN )(resid 15 and name HB# ) 4.0 2.2 1
assign (resid 15 and name HN )(resid 16 and name HN ) 3.0 1.2 0.5
assign (resid 15 and name HN )(resid 17 and name HN ) 4.0 2.2 1
assign (resid 15 and name HA )(resid 16 and name HN ) 4.0 2.2 1
assign (resid 15 and name HA )(resid 18 and name HN ) 4.0 2.2 1
assign (resid 15 and name HB# )(resid 16 and name HN ) 4.0 2.2 1
assign (resid 15 and name HB# )(resid 19 and name HE21 ) 4.0 2.2 1
assign (resid 15 and name HB# )(resid 19 and name HE22 ) 4.0 2.2 1
assign (resid 16 and name HN )(resid 16 and name HA ) 4.0 2.2 1
assign (resid 16 and name HN )(resid 16 and name HB# ) 4.0 2.2 1
assign (resid 16 and name HN )(resid 17 and name HN ) 3.0 1.2 0.5
assign (resid 16 and name HN )(resid 18 and name HN ) 4.0 2.2 1
assign (resid 16 and name HA )(resid 17 and name HN ) 4.0 2.2 1
assign (resid 16 and name HA )(resid 19 and name HB# ) 4.0 2.2 1
assign (resid 16 and name HA )(resid 19 and name HN ) 4.0 2.2 1
assign (resid 16 and name HA )(resid 19 and name HG2 ) 4.0 2.2 1
assign (resid 16 and name HA )(resid 19 and name HG1 ) 4.0 2.2 1
assign (resid 16 and name HA )(resid 19 and name HE21 ) 4.0 2.2 1
assign (resid 16 and name HA )(resid 21 and name HN ) 4.0 2.2 1
assign (resid 16 and name HB# )(resid 17 and name HN ) 4.0 2.2 1
assign (resid 16 and name HB# )(resid 22 and name HD# ) 4.0 2.2 1
assign (resid 16 and name HB# )(resid 22 and name HB# ) 4.0 2.2 1
assign (resid 16 and name HB# )(resid 22 and name HN ) 4.0 2.2 1
assign (resid 16 and name HB# )(resid 22 and name HA ) 4.0 2.2 1
assign (resid 16 and name HB# )(resid 23 and name HN ) 4.0 2.2 1
assign (resid 16 and name HB# )(resid 90 and name HG2# ) 4.0 2.2 1
assign (resid 17 and name HN )(resid 17 and name HA ) 3.0 1.2 0.5
assign (resid 17 and name HN )(resid 17 and name HB2 ) 4.0 2.2 1
assign (resid 17 and name HN )(resid 17 and name HB1 ) 4.0 2.2 1
assign (resid 17 and name HN )(resid 17 and name HG2 ) 4.0 2.2 1
assign (resid 17 and name HN )(resid 17 and name HG1 ) 4.0 2.2 1
assign (resid 17 and name HN )(resid 17 and name HE# ) 4.0 2.2 1
assign (resid 17 and name HN )(resid 18 and name HN ) 3.0 1.2 0.5
assign (resid 17 and name HA )(resid 17 and name HG2 ) 4.0 2.2 1
assign (resid 17 and name HA )(resid 17 and name HG1 ) 4.0 2.2 1
assign (resid 17 and name HA )(resid 18 and name HN ) 4.0 2.2 1
assign (resid 17 and name HA )(resid 19 and name HN ) 4.0 2.2 1
assign (resid 17 and name HA )(resid 20 and name HN ) 4.0 2.2 1
assign (resid 17 and name HA )(resid 90 and name HG1# ) 4.0 2.2 1
assign (resid 17 and name HA )(resid 90 and name HG2# ) 4.0 2.2 1
assign (resid 17 and name HB2 )(resid 17 and name HE# ) 4.0 2.2 1
assign (resid 17 and name HB1 )(resid 17 and name HE# ) 4.0 2.2 1
assign (resid 17 and name HB2 )(resid 18 and name HN ) 4.0 2.2 1
assign (resid 17 and name HB1 )(resid 18 and name HN ) 4.0 2.2 1
assign (resid 17 and name HG2 )(resid 17 and name HE2 ) 4.0 2.2 1
assign (resid 17 and name HG2 )(resid 17 and name HE1 ) 4.0 2.2 1
assign (resid 17 and name HG1 )(resid 17 and name HE2 ) 4.0 2.2 1
assign (resid 17 and name HG1 )(resid 17 and name HE1 ) 4.0 2.2 1
assign (resid 17 and name HG# )(resid 18 and name HN ) 4.0 2.2 1
assign (resid 17 and name HG# )(resid 90 and name HG1# ) 4.0 2.2 1
assign (resid 17 and name HG# )(resid 90 and name HG2# ) 4.0 2.2 1
assign (resid 18 and name HN )(resid 18 and name HA ) 4.0 2.2 1
assign (resid 18 and name HN )(resid 18 and name HB# ) 4.0 2.2 1
assign (resid 18 and name HN )(resid 19 and name HN ) 3.0 1.2 0.5
assign (resid 18 and name HA )(resid 19 and name HN ) 4.0 2.2 1
assign (resid 18 and name HB# )(resid 19 and name HB# ) 4.0 2.2 1
assign (resid 18 and name HB# )(resid 19 and name HN ) 4.0 2.2 1
assign (resid 18 and name HB# )(resid 19 and name HG2 ) 4.0 2.2 1
assign (resid 18 and name HB# )(resid 19 and name HG1 ) 4.0 2.2 1
assign (resid 18 and name HB# )(resid 20 and name HN ) 4.0 2.2 1
assign (resid 19 and name HB# )(resid 20 and name HN ) 4.0 2.2 1
assign (resid 19 and name HB# )(resid 21 and name HN ) 3.0 1.2 0.5
assign (resid 19 and name HB# )(resid 21 and name HG# ) 4.0 2.2 1
assign (resid 19 and name HN )(resid 19 and name HB# ) 3.0 1.2 0.5
assign (resid 19 and name HN )(resid 19 and name HA ) 3.0 1.2 0.5
assign (resid 19 and name HN )(resid 19 and name HG2 ) 4.0 2.2 1
assign (resid 19 and name HN )(resid 19 and name HG1 ) 4.0 2.2 1
assign (resid 19 and name HN )(resid 20 and name HN ) 3.0 1.2 0.5
assign (resid 19 and name HN )(resid 20 and name HA# ) 4.0 2.2 1
assign (resid 19 and name HN )(resid 21 and name HN ) 4.0 2.2 1
assign (resid 19 and name HA )(resid 19 and name HG2 ) 4.0 2.2 1
assign (resid 19 and name HA )(resid 19 and name HG1 ) 4.0 2.2 1
assign (resid 19 and name HA )(resid 20 and name HN ) 4.0 2.2 1
assign (resid 19 and name HG2 )(resid 19 and name HE21 ) 4.0 2.2 1
assign (resid 19 and name HG2 )(resid 19 and name HE22 ) 4.0 2.2 1
assign (resid 19 and name HG1 )(resid 19 and name HE21 ) 4.0 2.2 1
assign (resid 19 and name HG1 )(resid 19 and name HE22 ) 4.0 2.2 1
assign (resid 19 and name HG2 )(resid 21 and name HN ) 4.0 2.2 1
assign (resid 19 and name HG1 )(resid 21 and name HN ) 4.0 2.2 1
assign (resid 20 and name HN )(resid 20 and name HA2 ) 3.0 1.2 0.5
assign (resid 20 and name HN )(resid 20 and name HA1 ) 3.0 1.2 0.5
assign (resid 20 and name HN )(resid 21 and name HN ) 3.0 1.2 0.5
assign (resid 20 and name HN )(resid 90 and name HG2# ) 4.0 2.2 1
assign (resid 20 and name HA2 )(resid 21 and name HN ) 4.0 2.2 1
assign (resid 20 and name HA1 )(resid 21 and name HN ) 4.0 2.2 1
assign (resid 20 and name HA2 )(resid 90 and name HG2# ) 4.0 2.2 1
assign (resid 20 and name HA1 )(resid 90 and name HG2# ) 4.0 2.2 1
assign (resid 21 and name HN )(resid 21 and name HA ) 4.0 2.2 1
assign (resid 21 and name HN )(resid 21 and name HB# ) 4.0 2.2 1
assign (resid 21 and name HN )(resid 21 and name HG2 ) 4.0 2.2 1
assign (resid 21 and name HN )(resid 21 and name HG1 ) 4.0 2.2 1
assign (resid 21 and name HN )(resid 21 and name HD# ) 4.0 2.2 1
assign (resid 21 and name HN )(resid 22 and name HN ) 4.0 2.2 1
assign (resid 21 and name HN )(resid 90 and name HG2# ) 4.0 2.2 1
assign (resid 21 and name HA )(resid 22 and name HN ) 3.0 1.2 0.5
assign (resid 21 and name HA )(resid 89 and name HB# ) 4.0 2.2 1
assign (resid 21 and name HA )(resid 89 and name HA ) 3.0 1.2 0.5
assign (resid 21 and name HA )(resid 89 and name HD2# ) 4.0 2.2 1
assign (resid 21 and name HA )(resid 90 and name HN ) 4.0 2.2 1
assign (resid 21 and name HA )(resid 90 and name HG2# ) 4.0 2.2 1
assign (resid 21 and name HA )(resid 91 and name HN ) 4.0 2.2 1
assign (resid 21 and name HB2 )(resid 21 and name HD# ) 4.0 2.2 1
assign (resid 21 and name HB1 )(resid 21 and name HD# ) 4.0 2.2 1
assign (resid 21 and name HB2 )(resid 22 and name HN ) 4.0 2.2 1
assign (resid 21 and name HB1 )(resid 22 and name HN ) 4.0 2.2 1
assign (resid 21 and name HB# )(resid 89 and name HA ) 4.0 2.2 1
assign (resid 21 and name HB2 )(resid 89 and name HD2# ) 4.0 2.2 1
assign (resid 21 and name HB1 )(resid 89 and name HD2# ) 4.0 2.2 1
assign (resid 21 and name HG2 )(resid 21 and name HE ) 4.0 2.2 1
assign (resid 21 and name HG1 )(resid 21 and name HE ) 4.0 2.2 1
assign (resid 21 and name HD# )(resid 87 and name HB# ) 4.0 2.2 1
assign (resid 21 and name HD2 )(resid 89 and name HD2# ) 4.0 2.2 1
assign (resid 21 and name HD1 )(resid 89 and name HD2# ) 4.0 2.2 1
assign (resid 22 and name HD# )(resid 23 and name HN ) 4.0 2.2 1
assign (resid 22 and name HD# )(resid 34 and name HG2# ) 4.0 2.2 1
assign (resid 22 and name HD# )(resid 34 and name HD1# ) 4.0 2.2 1
assign (resid 22 and name HD# )(resid 88 and name HN ) 4.0 2.2 1
assign (resid 22 and name HD# )(resid 88 and name HB2 ) 4.0 2.2 1
assign (resid 22 and name HD# )(resid 88 and name HB1 ) 4.0 2.2 1
assign (resid 22 and name HD# )(resid 88 and name HD2# ) 4.0 2.2 1
assign (resid 22 and name HB# )(resid 22 and name HD# ) 4.0 2.2 1
assign (resid 22 and name HB# )(resid 23 and name HN ) 4.0 2.2 1
assign (resid 22 and name HB# )(resid 88 and name HN ) 4.0 2.2 1
assign (resid 22 and name HB# )(resid 88 and name HB2 ) 4.0 2.2 1
assign (resid 22 and name HB# )(resid 88 and name HB1 ) 4.0 2.2 1
assign (resid 22 and name HB# )(resid 88 and name HD2# ) 4.0 2.2 1
assign (resid 22 and name HN )(resid 22 and name HD# ) 4.0 2.2 1
assign (resid 22 and name HN )(resid 22 and name HB# ) 4.0 2.2 1
assign (resid 22 and name HN )(resid 22 and name HA ) 4.0 2.2 1
assign (resid 22 and name HN )(resid 88 and name HN ) 4.0 2.2 1
assign (resid 22 and name HN )(resid 88 and name HA ) 4.0 2.2 1
assign (resid 22 and name HN )(resid 89 and name HA ) 4.0 2.2 1
assign (resid 22 and name HN )(resid 89 and name HD2# ) 4.0 2.2 1
assign (resid 22 and name HN )(resid 90 and name HN ) 4.0 2.2 1
assign (resid 22 and name HA )(resid 22 and name HD# ) 4.0 2.2 1
assign (resid 22 and name HA )(resid 23 and name HN ) 3.0 1.2 0.5
assign (resid 23 and name HN )(resid 23 and name HA ) 4.0 2.2 1
assign (resid 23 and name HN )(resid 23 and name HB# ) 4.0 2.2 1
assign (resid 23 and name HN )(resid 23 and name HG2 ) 4.0 2.2 1
assign (resid 23 and name HN )(resid 23 and name HG1 ) 4.0 2.2 1
assign (resid 23 and name HA )(resid 23 and name HG2 ) 4.0 2.2 1
assign (resid 23 and name HA )(resid 23 and name HG1 ) 4.0 2.2 1
assign (resid 23 and name HA )(resid 34 and name HD1# ) 4.0 2.2 1
assign (resid 23 and name HA )(resid 87 and name HA ) 4.0 2.2 1
assign (resid 23 and name HA )(resid 87 and name HB# ) 4.0 2.2 1
assign (resid 23 and name HA )(resid 88 and name HN ) 4.0 2.2 1
assign (resid 24 and name HA2 )(resid 25 and name HN ) 4.0 2.2 1
assign (resid 24 and name HA1 )(resid 25 and name HN ) 4.0 2.2 1
assign (resid 24 and name HA2 )(resid 28 and name HB2 ) 4.0 2.2 1
assign (resid 24 and name HA2 )(resid 28 and name HB1 ) 4.0 2.2 1
assign (resid 24 and name HA1 )(resid 28 and name HB2 ) 4.0 2.2 1
assign (resid 24 and name HA1 )(resid 28 and name HB1 ) 4.0 2.2 1
assign (resid 24 and name HA2 )(resid 34 and name HG1# ) 4.0 2.2 1
assign (resid 24 and name HA1 )(resid 34 and name HG1# ) 4.0 2.2 1
assign (resid 24 and name HA# )(resid 34 and name HD1# ) 4.0 2.2 1
assign (resid 25 and name HB# )(resid 26 and name HN ) 3.0 1.2 0.5
assign (resid 25 and name HB# )(resid 27 and name HN ) 4.0 2.2 1
assign (resid 25 and name HB# )(resid 28 and name HN ) 4.0 2.2 1
assign (resid 25 and name HN )(resid 25 and name HB# ) 4.0 2.2 1
assign (resid 25 and name HN )(resid 25 and name HA ) 4.0 2.2 1
assign (resid 25 and name HN )(resid 28 and name HN ) 4.0 2.2 1
assign (resid 25 and name HN )(resid 28 and name HB2 ) 4.0 2.2 1
assign (resid 25 and name HN )(resid 28 and name HB1 ) 4.0 2.2 1
assign (resid 25 and name HN )(resid 29 and name HN ) 4.0 2.2 1
assign (resid 25 and name HN )(resid 34 and name HG1# ) 4.0 2.2 1
assign (resid 26 and name HN )(resid 26 and name HA ) 4.0 2.2 1
assign (resid 26 and name HN )(resid 26 and name HB# ) 4.0 2.2 1
assign (resid 26 and name HN )(resid 27 and name HN ) 3.0 1.2 0.5
assign (resid 26 and name HA )(resid 27 and name HN ) 4.0 2.2 1
assign (resid 26 and name HA )(resid 29 and name HN ) 4.0 2.2 1
assign (resid 26 and name HA )(resid 29 and name HB2 ) 4.0 2.2 1
assign (resid 26 and name HA )(resid 29 and name HB1 ) 4.0 2.2 1
assign (resid 26 and name HA )(resid 29 and name HD## ) 4.0 2.2 1
assign (resid 26 and name HA )(resid 30 and name HN ) 4.0 2.2 1
assign (resid 26 and name HB# )(resid 27 and name HN ) 4.0 2.2 1
assign (resid 26 and name HB# )(resid 27 and name HG2# ) 4.0 2.2 1
assign (resid 27 and name HN )(resid 27 and name HA ) 3.0 1.2 0.5
assign (resid 27 and name HN )(resid 27 and name HB ) 3.0 1.2 0.5
assign (resid 27 and name HN )(resid 27 and name HG1# ) 4.0 2.2 1
assign (resid 27 and name HN )(resid 27 and name HG2# ) 4.0 2.2 1
assign (resid 27 and name HN )(resid 28 and name HN ) 3.0 1.2 0.5
assign (resid 27 and name HN )(resid 29 and name HN ) 4.0 2.2 1
assign (resid 27 and name HA )(resid 27 and name HG1# ) 4.0 2.2 1
assign (resid 27 and name HA )(resid 27 and name HG2# ) 4.0 2.2 1
assign (resid 27 and name HA )(resid 28 and name HN ) 4.0 2.2 1
assign (resid 27 and name HA )(resid 30 and name HN ) 4.0 2.2 1
assign (resid 27 and name HA )(resid 30 and name HB# ) 4.0 2.2 1
assign (resid 27 and name HA )(resid 31 and name HN ) 4.0 2.2 1
assign (resid 27 and name HB )(resid 28 and name HN ) 4.0 2.2 1
assign (resid 27 and name HB )(resid 30 and name HB# ) 4.0 2.2 1
assign (resid 27 and name HG1# )(resid 28 and name HN ) 4.0 2.2 1
assign (resid 27 and name HG2# )(resid 28 and name HN ) 4.0 2.2 1
assign (resid 27 and name HG1# )(resid 35 and name HD2 ) 4.0 2.2 1
assign (resid 28 and name HN )(resid 28 and name HA ) 4.0 2.2 1
assign (resid 28 and name HN )(resid 28 and name HB2 ) 4.0 2.2 1
assign (resid 28 and name HN )(resid 28 and name HB1 ) 4.0 2.2 1
assign (resid 28 and name HN )(resid 29 and name HN ) 3.0 1.2 0.5
assign (resid 28 and name HN )(resid 30 and name HN ) 4.0 2.2 1
assign (resid 28 and name HA )(resid 33 and name HN ) 4.0 2.2 1
assign (resid 28 and name HA )(resid 35 and name HD2 ) 4.0 2.2 1
assign (resid 28 and name HB2 )(resid 29 and name HN ) 4.0 2.2 1
assign (resid 28 and name HB1 )(resid 29 and name HN ) 4.0 2.2 1
assign (resid 28 and name HB2 )(resid 34 and name HA ) 4.0 2.2 1
assign (resid 28 and name HB1 )(resid 34 and name HA ) 4.0 2.2 1
assign (resid 29 and name HN )(resid 29 and name HA ) 4.0 2.2 1
assign (resid 29 and name HN )(resid 29 and name HB2 ) 4.0 2.2 1
assign (resid 29 and name HN )(resid 29 and name HB1 ) 4.0 2.2 1
assign (resid 29 and name HN )(resid 29 and name HG ) 4.0 2.2 1
assign (resid 29 and name HN )(resid 29 and name HD1# ) 4.0 2.2 1
assign (resid 29 and name HN )(resid 29 and name HD## ) 4.0 2.2 1
assign (resid 29 and name HN )(resid 30 and name HN ) 3.0 1.2 0.5
assign (resid 29 and name HA )(resid 29 and name HG ) 4.0 2.2 1
assign (resid 29 and name HA )(resid 29 and name HD1# ) 4.0 2.2 1
assign (resid 29 and name HA )(resid 29 and name HD2# ) 4.0 2.2 1
assign (resid 29 and name HA )(resid 30 and name HN ) 4.0 2.2 1
assign (resid 29 and name HA )(resid 32 and name HN ) 4.0 2.2 1
assign (resid 29 and name HB2 )(resid 29 and name HD1# ) 4.0 2.2 1
assign (resid 29 and name HB2 )(resid 29 and name HD2# ) 4.0 2.2 1
assign (resid 29 and name HB1 )(resid 29 and name HD1# ) 4.0 2.2 1
assign (resid 29 and name HB1 )(resid 29 and name HD2# ) 4.0 2.2 1
assign (resid 29 and name HB# )(resid 30 and name HN ) 3.0 1.2 0.5
assign (resid 30 and name HN )(resid 30 and name HA ) 4.0 2.2 1
assign (resid 30 and name HN )(resid 30 and name HB# ) 4.0 2.2 1
assign (resid 30 and name HN )(resid 31 and name HN ) 3.0 1.2 0.5
assign (resid 30 and name HN )(resid 32 and name HN ) 4.0 2.2 1
assign (resid 30 and name HA )(resid 31 and name HN ) 4.0 2.2 1
assign (resid 30 and name HB# )(resid 31 and name HN ) 4.0 2.2 1
assign (resid 30 and name HB# )(resid 32 and name HN ) 4.0 2.2 1
assign (resid 31 and name HB# )(resid 32 and name HN ) 4.0 2.2 1
assign (resid 31 and name HB# )(resid 33 and name HN ) 4.0 2.2 1
assign (resid 31 and name HN )(resid 31 and name HB# ) 4.0 2.2 1
assign (resid 31 and name HN )(resid 31 and name HA ) 4.0 2.2 1
assign (resid 31 and name HN )(resid 32 and name HN ) 3.0 1.2 0.5
assign (resid 31 and name HN )(resid 33 and name HN ) 4.0 2.2 1
assign (resid 31 and name HA )(resid 32 and name HN ) 4.0 2.2 1
assign (resid 32 and name HN )(resid 32 and name HA2 ) 4.0 2.2 1
assign (resid 32 and name HN )(resid 32 and name HA1 ) 4.0 2.2 1
assign (resid 32 and name HN )(resid 33 and name HN ) 3.0 1.2 0.5
assign (resid 32 and name HA2 )(resid 33 and name HN ) 4.0 2.2 1
assign (resid 32 and name HA1 )(resid 33 and name HN ) 4.0 2.2 1
assign (resid 33 and name HD# )(resid 34 and name HN ) 4.0 2.2 1
assign (resid 33 and name HD# )(resid 85 and name HD# ) 4.0 2.2 1
assign (resid 33 and name HD# )(resid 85 and name HE# ) 4.0 2.2 1
assign (resid 33 and name HN )(resid 33 and name HD# ) 4.0 2.2 1
assign (resid 33 and name HN )(resid 33 and name HA ) 3.0 1.2 0.5
assign (resid 33 and name HN )(resid 33 and name HB2 ) 4.0 2.2 1
assign (resid 33 and name HN )(resid 33 and name HB1 ) 4.0 2.2 1
assign (resid 33 and name HN )(resid 34 and name HN ) 4.0 2.2 1
assign (resid 33 and name HA )(resid 33 and name HD# ) 4.0 2.2 1
assign (resid 33 and name HA )(resid 34 and name HN ) 3.0 1.2 0.5
assign (resid 33 and name HA )(resid 85 and name HA ) 4.0 2.2 1
assign (resid 33 and name HB2 )(resid 33 and name HD# ) 4.0 2.2 1
assign (resid 33 and name HB1 )(resid 33 and name HD# ) 4.0 2.2 1
assign (resid 33 and name HB2 )(resid 34 and name HN ) 4.0 2.2 1
assign (resid 33 and name HB1 )(resid 34 and name HN ) 4.0 2.2 1
assign (resid 33 and name HB2 )(resid 85 and name HA ) 4.0 2.2 1
assign (resid 33 and name HB1 )(resid 85 and name HA ) 4.0 2.2 1
assign (resid 34 and name HN )(resid 34 and name HA ) 4.0 2.2 1
assign (resid 34 and name HN )(resid 34 and name HB ) 4.0 2.2 1
assign (resid 34 and name HN )(resid 34 and name HG12 ) 4.0 2.2 1
assign (resid 34 and name HN )(resid 34 and name HG11 ) 4.0 2.2 1
assign (resid 34 and name HN )(resid 34 and name HD1# ) 4.0 2.2 1
assign (resid 34 and name HN )(resid 84 and name HN ) 4.0 2.2 1
assign (resid 34 and name HN )(resid 85 and name HA ) 4.0 2.2 1
assign (resid 34 and name HA )(resid 34 and name HG12 ) 4.0 2.2 1
assign (resid 34 and name HA )(resid 34 and name HG11 ) 4.0 2.2 1
assign (resid 34 and name HA )(resid 34 and name HG2# ) 4.0 2.2 1
assign (resid 34 and name HA )(resid 35 and name HN ) 3.0 1.2 0.5
assign (resid 34 and name HA )(resid 35 and name HB# ) 4.0 2.2 1
assign (resid 34 and name HB )(resid 34 and name HD1# ) 4.0 2.2 1
assign (resid 34 and name HB )(resid 84 and name HB# ) 4.0 2.2 1
assign (resid 34 and name HG1# )(resid 34 and name HG2# ) 4.0 2.2 1
assign (resid 34 and name HG2# )(resid 35 and name HN ) 4.0 2.2 1
assign (resid 34 and name HG2# )(resid 36 and name HA ) 4.0 2.2 1
assign (resid 34 and name HG2# )(resid 36 and name HG ) 4.0 2.2 1
assign (resid 34 and name HG2# )(resid 36 and name HD1# ) 4.0 2.2 1
assign (resid 34 and name HD1# )(resid 84 and name HB# ) 4.0 2.2 1
assign (resid 34 and name HD1# )(resid 87 and name HA ) 4.0 2.2 1
assign (resid 34 and name HD1# )(resid 88 and name HN ) 4.0 2.2 1
assign (resid 34 and name HD1# )(resid 88 and name HB2 ) 4.0 2.2 1
assign (resid 34 and name HD1# )(resid 88 and name HB1 ) 4.0 2.2 1
assign (resid 35 and name HN )(resid 35 and name HA ) 4.0 2.2 1
assign (resid 35 and name HN )(resid 35 and name HB# ) 4.0 2.2 1
assign (resid 35 and name HN )(resid 35 and name HD2 ) 4.0 2.2 1
assign (resid 35 and name HA )(resid 36 and name HN ) 3.0 1.2 0.5
assign (resid 35 and name HA )(resid 83 and name HA ) 4.0 2.2 1
assign (resid 35 and name HA )(resid 83 and name HD2 ) 4.0 2.2 1
assign (resid 35 and name HB2 )(resid 35 and name HD2 ) 4.0 2.2 1
assign (resid 35 and name HB1 )(resid 35 and name HD2 ) 4.0 2.2 1
assign (resid 35 and name HB2 )(resid 36 and name HN ) 4.0 2.2 1
assign (resid 35 and name HB1 )(resid 36 and name HN ) 4.0 2.2 1
assign (resid 36 and name HN )(resid 36 and name HA ) 4.0 2.2 1
assign (resid 36 and name HN )(resid 36 and name HB# ) 4.0 2.2 1
assign (resid 36 and name HN )(resid 36 and name HG ) 4.0 2.2 1
assign (resid 36 and name HN )(resid 36 and name HD1# ) 4.0 2.2 1
assign (resid 36 and name HN )(resid 36 and name HD2# ) 4.0 2.2 1
assign (resid 36 and name HN )(resid 82 and name HG# ) 4.0 2.2 1
assign (resid 36 and name HN )(resid 83 and name HA ) 4.0 2.2 1
assign (resid 36 and name HN )(resid 83 and name HD2 ) 4.0 2.2 1
assign (resid 36 and name HA )(resid 36 and name HG ) 4.0 2.2 1
assign (resid 36 and name HA )(resid 36 and name HD1# ) 4.0 2.2 1
assign (resid 36 and name HA )(resid 36 and name HD2# ) 4.0 2.2 1
assign (resid 36 and name HA )(resid 37 and name HN ) 3.0 1.2 0.5
assign (resid 36 and name HB2 )(resid 36 and name HD1# ) 4.0 2.2 1
assign (resid 36 and name HB2 )(resid 36 and name HD2# ) 4.0 2.2 1
assign (resid 36 and name HB1 )(resid 36 and name HD1# ) 4.0 2.2 1
assign (resid 36 and name HB1 )(resid 36 and name HD2# ) 4.0 2.2 1
assign (resid 36 and name HB2 )(resid 37 and name HN ) 4.0 2.2 1
assign (resid 36 and name HB1 )(resid 37 and name HN ) 4.0 2.2 1
assign (resid 36 and name HD2# )(resid 37 and name HN ) 4.0 2.2 1
assign (resid 36 and name HD1# )(resid 83 and name HA ) 4.0 2.2 2       ! v. weak; increase to 6A
assign (resid 36 and name HD1# )(resid 84 and name HN ) 4.0 2.2 1
assign (resid 36 and name HD1# )(resid 84 and name HB# ) 4.0 2.2 1
assign (resid 37 and name HN )(resid 37 and name HA ) 4.0 2.2 1
assign (resid 37 and name HN )(resid 37 and name HB2 ) 4.0 2.2 1
assign (resid 37 and name HN )(resid 37 and name HB1 ) 4.0 2.2 1
assign (resid 37 and name HN )(resid 82 and name HG# ) 4.0 2.2 1
assign (resid 37 and name HA )(resid 38 and name HN ) 3.0 1.2 0.5
assign (resid 37 and name HA )(resid 38 and name HB# ) 4.0 2.2 1
assign (resid 37 and name HA )(resid 41 and name HB# ) 4.0 2.2 1
assign (resid 37 and name HA )(resid 81 and name HD# ) 4.0 2.2 1
assign (resid 37 and name HB2 )(resid 38 and name HN ) 4.0 2.2 1
assign (resid 37 and name HB1 )(resid 38 and name HN ) 4.0 2.2 1
assign (resid 37 and name HB2 )(resid 41 and name HB# ) 4.0 2.2 1
assign (resid 37 and name HB1 )(resid 41 and name HB# ) 4.0 2.2 1
assign (resid 37 and name HB# )(resid 41 and name HN ) 4.0 2.2 1
assign (resid 37 and name HB2 )(resid 42 and name HN ) 4.0 2.2 1
assign (resid 37 and name HB1 )(resid 42 and name HN ) 4.0 2.2 1
assign (resid 37 and name HB2 )(resid 42 and name HA ) 4.0 2.2 1
assign (resid 37 and name HB1 )(resid 42 and name HA ) 4.0 2.2 1
assign (resid 37 and name HB2 )(resid 42 and name HB# ) 4.0 2.2 1
assign (resid 37 and name HB1 )(resid 42 and name HB# ) 4.0 2.2 1
assign (resid 37 and name HB# )(resid 45 and name HG2# ) 4.0 2.2 1
assign (resid 38 and name HN )(resid 38 and name HA ) 4.0 2.2 1
assign (resid 38 and name HN )(resid 38 and name HB# ) 4.0 2.2 1
assign (resid 38 and name HN )(resid 41 and name HB# ) 3.0 1.2 0.5
assign (resid 38 and name HN )(resid 41 and name HN ) 4.0 2.2 1
assign (resid 38 and name HN )(resid 72 and name HZ3 ) 4.0 2.2 1
assign (resid 38 and name HA )(resid 39 and name HN ) 4.0 2.2 1
assign (resid 38 and name HB# )(resid 39 and name HN ) 4.0 2.2 1
assign (resid 38 and name HB# )(resid 40 and name HN ) 4.0 2.2 1
assign (resid 38 and name HB# )(resid 41 and name HN ) 4.0 2.2 1
assign (resid 38 and name HB# )(resid 72 and name HH2 ) 4.0 2.2 1
assign (resid 38 and name HB# )(resid 72 and name HZ3 ) 4.0 2.2 1
assign (resid 39 and name HN )(resid 39 and name HA2 ) 3.0 1.2 0.5
assign (resid 39 and name HN )(resid 39 and name HA1 ) 3.0 1.2 0.5
assign (resid 39 and name HN )(resid 40 and name HN ) 4.0 2.2 1
assign (resid 39 and name HA2 )(resid 40 and name HN ) 4.0 2.2 1
assign (resid 39 and name HA1 )(resid 40 and name HN ) 4.0 2.2 1
assign (resid 39 and name HA# )(resid 42 and name HN ) 4.0 2.2 1
assign (resid 39 and name HA2 )(resid 42 and name HB# ) 4.0 2.2 1
assign (resid 39 and name HA1 )(resid 42 and name HB# ) 4.0 2.2 1
assign (resid 39 and name HA# )(resid 113 and name HD2# ) 4.0 2.2 1
assign (resid 40 and name HG# )(resid 41 and name HN ) 4.0 2.2 1
assign (resid 40 and name HN )(resid 40 and name HG# ) 4.0 2.2 1
assign (resid 40 and name HN )(resid 40 and name HB# ) 3.0 1.2 0.5
assign (resid 40 and name HN )(resid 40 and name HA ) 3.0 1.2 0.5
assign (resid 40 and name HN )(resid 41 and name HN ) 4.0 2.2 1
assign (resid 40 and name HN )(resid 42 and name HN ) 4.0 2.2 1
assign (resid 40 and name HA )(resid 40 and name HG# ) 4.0 2.2 1
assign (resid 40 and name HA )(resid 41 and name HN ) 4.0 2.2 1
assign (resid 40 and name HA )(resid 42 and name HN ) 4.0 2.2 1
assign (resid 40 and name HA )(resid 44 and name HN ) 4.0 2.2 1
assign (resid 41 and name HB# )(resid 42 and name HN ) 4.0 2.2 1
assign (resid 41 and name HB# )(resid 45 and name HN ) 4.0 2.2 1
assign (resid 41 and name HB# )(resid 81 and name HE# ) 4.0 2.2 1
assign (resid 41 and name HN )(resid 41 and name HB# ) 4.0 2.2 1
assign (resid 41 and name HN )(resid 41 and name HA ) 4.0 2.2 1
assign (resid 41 and name HN )(resid 41 and name HG2 ) 4.0 2.2 1
assign (resid 41 and name HN )(resid 41 and name HG1 ) 4.0 2.2 1
assign (resid 41 and name HN )(resid 42 and name HN ) 2.5 0.7 0.4
assign (resid 41 and name HN )(resid 42 and name HB# ) 4.0 2.2 1
assign (resid 41 and name HN )(resid 43 and name HN ) 4.0 2.2 1
assign (resid 41 and name HA )(resid 41 and name HG2 ) 4.0 2.2 1
assign (resid 41 and name HA )(resid 41 and name HG1 ) 4.0 2.2 1
assign (resid 41 and name HA )(resid 42 and name HN ) 4.0 2.2 1
assign (resid 41 and name HA )(resid 44 and name HB# ) 3.0 1.2 0.5
assign (resid 41 and name HG2 )(resid 41 and name HE21 ) 4.0 2.2 1
assign (resid 41 and name HG2 )(resid 41 and name HE22 ) 4.0 2.2 1
assign (resid 41 and name HG1 )(resid 41 and name HE21 ) 4.0 2.2 1
assign (resid 41 and name HG1 )(resid 41 and name HE22 ) 4.0 2.2 1
assign (resid 41 and name HE21 )(resid 79 and name HB# ) 4.0 2.2 1
assign (resid 41 and name HE22 )(resid 79 and name HB# ) 4.0 2.2 1
assign (resid 42 and name HN )(resid 42 and name HA ) 4.0 2.2 1
assign (resid 42 and name HN )(resid 42 and name HB# ) 4.0 2.2 1
assign (resid 42 and name HN )(resid 43 and name HN ) 4.0 2.2 1
assign (resid 42 and name HA )(resid 43 and name HN ) 4.0 2.2 1
assign (resid 42 and name HA )(resid 45 and name HN ) 4.0 2.2 1
assign (resid 42 and name HA )(resid 45 and name HB ) 4.0 2.2 1
assign (resid 42 and name HA )(resid 45 and name HG2# ) 4.0 2.2 1
assign (resid 42 and name HA )(resid 46 and name HN ) 4.0 2.2 1
assign (resid 42 and name HB# )(resid 43 and name HN ) 4.0 2.2 1
assign (resid 42 and name HB# )(resid 109 and name HD1# ) 4.0 2.2 1
assign (resid 42 and name HB# )(resid 109 and name HD2# ) 4.0 2.2 1
assign (resid 42 and name HB# )(resid 113 and name HD1# ) 4.0 2.2 1
assign (resid 42 and name HB# )(resid 113 and name HD2# ) 4.0 2.2 1
assign (resid 43 and name HN )(resid 43 and name HA ) 4.0 2.2 1
assign (resid 43 and name HN )(resid 43 and name HB# ) 4.0 2.2 1
assign (resid 43 and name HN )(resid 43 and name HG# ) 4.0 2.2 1
assign (resid 43 and name HN )(resid 44 and name HN ) 3.0 1.2 0.5
assign (resid 43 and name HN )(resid 109 and name HD2# ) 4.0 2.2 1
assign (resid 43 and name HA )(resid 43 and name HG# ) 4.0 2.2 1
assign (resid 43 and name HA )(resid 43 and name HE21 ) 4.0 2.2 1
assign (resid 43 and name HA )(resid 44 and name HN ) 4.0 2.2 1
assign (resid 43 and name HA )(resid 46 and name HN ) 4.0 2.2 1
assign (resid 43 and name HA )(resid 46 and name HB# ) 4.0 2.2 1
assign (resid 43 and name HA )(resid 47 and name HN ) 4.0 2.2 1
assign (resid 43 and name HA )(resid 109 and name HD1# ) 4.0 2.2 1
assign (resid 43 and name HA )(resid 109 and name HD2# ) 4.0 2.2 1
assign (resid 43 and name HB# )(resid 44 and name HN ) 4.0 2.2 1
assign (resid 43 and name HG# )(resid 43 and name HE21 ) 4.0 2.2 1
assign (resid 43 and name HG# )(resid 43 and name HE22 ) 4.0 2.2 1
assign (resid 43 and name HG# )(resid 43 and name HE21 ) 4.0 2.2 1
assign (resid 43 and name HG# )(resid 43 and name HE22 ) 4.0 2.2 1
assign (resid 43 and name HG# )(resid 44 and name HN ) 4.0 2.2 1
assign (resid 43 and name HE21 )(resid 106 and name HG1# ) 4.0 2.2 1
assign (resid 43 and name HE22 )(resid 106 and name HG1# ) 4.0 2.2 1
assign (resid 43 and name HE21 )(resid 108 and name HA ) 4.0 2.2 1
assign (resid 43 and name HE22 )(resid 108 and name HA ) 4.0 2.2 1
assign (resid 43 and name HE22 )(resid 109 and name HN ) 4.0 2.2 1
assign (resid 43 and name HE21 )(resid 109 and name HB# ) 4.0 2.2 1
assign (resid 43 and name HE21 )(resid 109 and name HD1# ) 4.0 2.2 1
assign (resid 43 and name HE22 )(resid 109 and name HD1# ) 4.0 2.2 1
assign (resid 44 and name HG# )(resid 45 and name HN ) 4.0 2.2 1
assign (resid 44 and name HB# )(resid 45 and name HN ) 3.0 1.2 0.5
assign (resid 44 and name HN )(resid 44 and name HG# ) 4.0 2.2 1
assign (resid 44 and name HN )(resid 44 and name HB# ) 2.5 0.7 0.4
assign (resid 44 and name HN )(resid 44 and name HA ) 4.0 2.2 1
assign (resid 44 and name HN )(resid 45 and name HN ) 4.0 2.2 1
assign (resid 44 and name HN )(resid 46 and name HN ) 4.0 2.2 1
assign (resid 44 and name HN )(resid 47 and name HB# ) 4.0 2.2 1
assign (resid 44 and name HA )(resid 44 and name HG# ) 4.0 2.2 1
assign (resid 44 and name HA )(resid 47 and name HN ) 3.0 1.2 0.5
assign (resid 44 and name HA )(resid 47 and name HB# ) 4.0 2.2 1
assign (resid 45 and name HN )(resid 45 and name HA ) 3.0 1.2 0.5
assign (resid 45 and name HN )(resid 45 and name HB ) 3.0 1.2 0.5
assign (resid 45 and name HN )(resid 45 and name HG2# ) 4.0 2.2 1
assign (resid 45 and name HN )(resid 46 and name HN ) 2.5 0.7 0.4
assign (resid 45 and name HN )(resid 47 and name HN ) 4.0 2.2 1
assign (resid 45 and name HA )(resid 45 and name HG2# ) 4.0 2.2 1
assign (resid 45 and name HA )(resid 46 and name HN ) 4.0 2.2 1
assign (resid 45 and name HA )(resid 48 and name HN ) 4.0 2.2 1
assign (resid 45 and name HA )(resid 48 and name HB# ) 4.0 2.2 1
assign (resid 45 and name HA )(resid 49 and name HN ) 4.0 2.2 1
assign (resid 45 and name HA )(resid 49 and name HD1 ) 4.0 2.2 1
assign (resid 45 and name HB )(resid 46 and name HN ) 4.0 2.2 1
assign (resid 45 and name HG2# )(resid 46 and name HN ) 4.0 2.2 1
assign (resid 45 and name HG2# )(resid 49 and name HA ) 4.0 2.2 1
assign (resid 45 and name HG2# )(resid 49 and name HD1 ) 4.0 2.2 1
assign (resid 45 and name HG2# )(resid 49 and name HE1 ) 4.0 2.2 1
assign (resid 45 and name HG2# )(resid 50 and name HD# ) 4.0 2.2 1
assign (resid 45 and name HG2# )(resid 50 and name HN ) 4.0 2.2 1
assign (resid 46 and name HN )(resid 46 and name HA ) 4.0 2.2 1
assign (resid 46 and name HN )(resid 46 and name HB# ) 4.0 2.2 1
assign (resid 46 and name HN )(resid 47 and name HN ) 4.0 2.2 1
assign (resid 46 and name HN )(resid 48 and name HN ) 4.0 2.2 1
assign (resid 46 and name HA )(resid 49 and name HN ) 4.0 2.2 1
assign (resid 46 and name HA )(resid 50 and name HD# ) 4.0 2.2 1
assign (resid 46 and name HA )(resid 50 and name HN ) 4.0 2.2 1
assign (resid 46 and name HA )(resid 50 and name HB# ) 4.0 2.2 1
assign (resid 46 and name HB# )(resid 47 and name HN ) 4.0 2.2 1
assign (resid 47 and name HN )(resid 47 and name HA ) 4.0 2.2 1
assign (resid 47 and name HN )(resid 47 and name HB# ) 4.0 2.2 1
assign (resid 47 and name HN )(resid 48 and name HN ) 2.5 0.7 0.4
assign (resid 47 and name HA )(resid 48 and name HN ) 4.0 2.2 1
assign (resid 47 and name HA )(resid 50 and name HN ) 4.0 2.2 1
assign (resid 47 and name HB# )(resid 48 and name HN ) 4.0 2.2 1
assign (resid 48 and name HN )(resid 48 and name HA ) 4.0 2.2 1
assign (resid 48 and name HN )(resid 48 and name HB2 ) 3.0 1.2 0.5
assign (resid 48 and name HN )(resid 48 and name HB1 ) 3.0 1.2 0.5
assign (resid 48 and name HN )(resid 48 and name HG# ) 4.0 2.2 1
assign (resid 48 and name HA )(resid 48 and name HG2 ) 4.0 2.2 1
assign (resid 48 and name HA )(resid 48 and name HG1 ) 4.0 2.2 1
assign (resid 48 and name HA )(resid 48 and name HD# ) 4.0 2.2 1
assign (resid 48 and name HA )(resid 49 and name HN ) 4.0 2.2 1
assign (resid 48 and name HB2 )(resid 49 and name HN ) 4.0 2.2 1
assign (resid 48 and name HB1 )(resid 49 and name HN ) 4.0 2.2 1
assign (resid 48 and name HB2 )(resid 49 and name HD1 ) 4.0 2.2 1
assign (resid 48 and name HB1 )(resid 49 and name HD1 ) 4.0 2.2 1
assign (resid 48 and name HB2 )(resid 49 and name HE1 ) 4.0 2.2 1
assign (resid 48 and name HB1 )(resid 49 and name HE1 ) 4.0 2.2 1
assign (resid 48 and name HG2 )(resid 48 and name HE2 ) 4.0 2.2 1
assign (resid 48 and name HG2 )(resid 48 and name HE1 ) 4.0 2.2 1
assign (resid 48 and name HG1 )(resid 48 and name HE2 ) 4.0 2.2 1
assign (resid 48 and name HG1 )(resid 48 and name HE1 ) 4.0 2.2 1
assign (resid 48 and name HG# )(resid 49 and name HN ) 4.0 2.2 1
assign (resid 48 and name HG# )(resid 49 and name HD1 ) 4.0 2.2 1
assign (resid 48 and name HG# )(resid 49 and name HE1 ) 4.0 2.2 1
assign (resid 48 and name HD# )(resid 49 and name HE1 ) 4.0 2.2 1
assign (resid 49 and name HN )(resid 49 and name HA ) 4.0 2.2 1
assign (resid 49 and name HN )(resid 49 and name HB2 ) 4.0 2.2 1
assign (resid 49 and name HN )(resid 49 and name HB1 ) 4.0 2.2 1
assign (resid 49 and name HN )(resid 49 and name HD1 ) 4.0 2.2 1
assign (resid 49 and name HN )(resid 50 and name HD# ) 4.0 2.2 1
assign (resid 49 and name HN )(resid 50 and name HN ) 3.0 1.2 0.5
assign (resid 49 and name HA )(resid 49 and name HD1 ) 4.0 2.2 1
assign (resid 49 and name HA )(resid 49 and name HE3 ) 4.0 2.2 1
assign (resid 49 and name HA )(resid 50 and name HN ) 4.0 2.2 1
assign (resid 49 and name HB2 )(resid 49 and name HD1 ) 4.0 2.2 1
assign (resid 49 and name HB1 )(resid 49 and name HD1 ) 4.0 2.2 1
assign (resid 49 and name HB# )(resid 49 and name HE3 ) 4.0 2.2 1
assign (resid 49 and name HB2 )(resid 50 and name HD# ) 4.0 2.2 1
assign (resid 49 and name HB1 )(resid 50 and name HD# ) 4.0 2.2 1
assign (resid 49 and name HB# )(resid 50 and name HN ) 4.0 2.2 1
assign (resid 50 and name HD# )(resid 53 and name HG# ) 4.0 2.2 1
assign (resid 50 and name HD# )(resid 53 and name HE21 ) 4.0 2.2 1
assign (resid 50 and name HD# )(resid 53 and name HE22 ) 4.0 2.2 1
assign (resid 50 and name HD# )(resid 56 and name HD1# ) 4.0 2.2 1
assign (resid 50 and name HD# )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 50 and name HN )(resid 50 and name HD# ) 4.0 2.2 1
assign (resid 50 and name HN )(resid 50 and name HA ) 4.0 2.2 1
assign (resid 50 and name HN )(resid 50 and name HB2 ) 4.0 2.2 1
assign (resid 50 and name HN )(resid 50 and name HB1 ) 4.0 2.2 1
assign (resid 50 and name HN )(resid 51 and name HN ) 3.0 1.2 0.5
assign (resid 50 and name HN )(resid 51 and name HB2 ) 4.0 2.2 2      !v. weak increase bound to 6A
assign (resid 50 and name HN )(resid 51 and name HB1 ) 4.0 2.2 2      !v. weak increase bound to 6A
assign (resid 50 and name HA )(resid 50 and name HD# ) 4.0 2.2 1
assign (resid 50 and name HA )(resid 51 and name HN ) 3.0 1.2 0.5
assign (resid 50 and name HA )(resid 53 and name HG# ) 4.0 2.2 1
assign (resid 50 and name HA )(resid 53 and name HE21 ) 4.0 2.2 1
assign (resid 50 and name HA )(resid 53 and name HE22 ) 4.0 2.2 1
assign (resid 50 and name HB2 )(resid 50 and name HD# ) 4.0 2.2 1
assign (resid 50 and name HB1 )(resid 50 and name HD# ) 4.0 2.2 1
assign (resid 50 and name HB# )(resid 51 and name HN ) 4.0 2.2 1
assign (resid 50 and name HB# )(resid 51 and name HA ) 4.0 2.2 1
assign (resid 50 and name HB2 )(resid 56 and name HD1# ) 4.0 2.2 1
assign (resid 50 and name HB2 )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 50 and name HB1 )(resid 56 and name HD1# ) 4.0 2.2 1
assign (resid 51 and name HG# )(resid 52 and name HN ) 4.0 2.2 1
assign (resid 51 and name HD# )(resid 52 and name HN ) 4.0 2.2 1
assign (resid 51 and name HN )(resid 51 and name HG# ) 4.0 2.2 1
assign (resid 51 and name HN )(resid 51 and name HA ) 4.0 2.2 1
assign (resid 51 and name HN )(resid 51 and name HB2 ) 4.0 2.2 1
assign (resid 51 and name HN )(resid 51 and name HB1 ) 3.0 1.2 0.5
assign (resid 51 and name HN )(resid 52 and name HN ) 4.0 2.2 1
assign (resid 51 and name HA )(resid 51 and name HG# ) 4.0 2.2 1
assign (resid 51 and name HA )(resid 51 and name HD# ) 4.0 2.2 1
assign (resid 51 and name HA )(resid 52 and name HN ) 3.0 1.2 0.5
assign (resid 51 and name HB2 )(resid 51 and name HD# ) 4.0 2.2 1
assign (resid 51 and name HB1 )(resid 51 and name HD# ) 4.0 2.2 1
assign (resid 51 and name HB2 )(resid 52 and name HN ) 4.0 2.2 1
assign (resid 51 and name HB1 )(resid 52 and name HN ) 4.0 2.2 1
assign (resid 52 and name HN )(resid 52 and name HA2 ) 3.0 1.2 0.5
assign (resid 52 and name HN )(resid 52 and name HA1 ) 4.0 2.2 1
assign (resid 52 and name HN )(resid 53 and name HG# ) 4.0 2.2 1
assign (resid 52 and name HN )(resid 53 and name HN ) 4.0 2.2 1
assign (resid 52 and name HA2 )(resid 53 and name HN ) 4.0 2.2 1
assign (resid 52 and name HA1 )(resid 53 and name HN ) 4.0 2.2 1
assign (resid 53 and name HG# )(resid 53 and name HE21 ) 4.0 2.2 1
assign (resid 53 and name HG# )(resid 53 and name HE22 ) 4.0 2.2 1
assign (resid 53 and name HG# )(resid 54 and name HN ) 4.0 2.2 1
assign (resid 53 and name HN )(resid 53 and name HG# ) 4.0 2.2 1
assign (resid 53 and name HN )(resid 53 and name HA ) 3.0 1.2 0.5
assign (resid 53 and name HN )(resid 53 and name HB2 ) 4.0 2.2 1
assign (resid 53 and name HN )(resid 53 and name HB1 ) 4.0 2.2 1
assign (resid 53 and name HN )(resid 54 and name HN ) 4.0 2.2 1
assign (resid 53 and name HN )(resid 56 and name HD1# ) 4.0 2.2 1
assign (resid 53 and name HN )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 53 and name HA )(resid 53 and name HG# ) 4.0 2.2 1
assign (resid 53 and name HA )(resid 54 and name HN ) 2.5 0.7 0.4
assign (resid 53 and name HB# )(resid 54 and name HN ) 4.0 2.2 1
assign (resid 53 and name HB2 )(resid 56 and name HD1# ) 4.0 2.2 1
assign (resid 53 and name HB2 )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 53 and name HB1 )(resid 56 and name HD1# ) 4.0 2.2 1
assign (resid 53 and name HB1 )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 54 and name HN )(resid 54 and name HA ) 4.0 2.2 1
assign (resid 54 and name HN )(resid 54 and name HB# ) 4.0 2.2 1
assign (resid 54 and name HN )(resid 55 and name HN ) 4.0 2.2 1
assign (resid 54 and name HN )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 54 and name HA )(resid 55 and name HN ) 4.0 2.2 1
assign (resid 54 and name HA )(resid 56 and name HN ) 4.0 2.2 1
assign (resid 54 and name HA )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 54 and name HB# )(resid 55 and name HN ) 4.0 2.2 1
assign (resid 54 and name HB# )(resid 55 and name HA ) 4.0 2.2 1
assign (resid 54 and name HB# )(resid 55 and name HB# ) 4.0 2.2 1
assign (resid 54 and name HB# )(resid 55 and name HD21 ) 4.0 2.2 1
assign (resid 54 and name HB# )(resid 55 and name HD22 ) 4.0 2.2 1
assign (resid 55 and name HN )(resid 55 and name HA ) 2.5 0.7 0.4
assign (resid 55 and name HN )(resid 55 and name HB2 ) 4.0 2.2 1
assign (resid 55 and name HN )(resid 55 and name HB1 ) 4.0 2.2 1
assign (resid 55 and name HN )(resid 56 and name HN ) 3.0 1.2 0.5
assign (resid 55 and name HN )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 55 and name HA )(resid 55 and name HD21 ) 4.0 2.2 1
assign (resid 55 and name HA )(resid 56 and name HN ) 3.0 1.2 0.5
assign (resid 55 and name HB2 )(resid 55 and name HD21 ) 4.0 2.2 1
assign (resid 55 and name HB2 )(resid 55 and name HD22 ) 4.0 2.2 1
assign (resid 55 and name HB1 )(resid 55 and name HD21 ) 4.0 2.2 1
assign (resid 55 and name HB1 )(resid 55 and name HD22 ) 4.0 2.2 1
assign (resid 55 and name HB# )(resid 56 and name HN ) 4.0 2.2 1
assign (resid 56 and name HN )(resid 56 and name HA ) 3.0 1.2 0.5
assign (resid 56 and name HN )(resid 56 and name HB2 ) 3.0 1.2 0.5
assign (resid 56 and name HN )(resid 56 and name HB1 ) 4.0 1.2 1
assign (resid 56 and name HN )(resid 56 and name HG ) 4.0 2.2 1
assign (resid 56 and name HN )(resid 56 and name HD1# ) 4.0 2.2 1
assign (resid 56 and name HN )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 56 and name HA )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 56 and name HA )(resid 57 and name HN ) 3.0 1.2 0.5
assign (resid 56 and name HB2 )(resid 56 and name HD1# ) 4.0 2.2 1
assign (resid 56 and name HB2 )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 56 and name HB1 )(resid 56 and name HD2# ) 4.0 2.2 1
assign (resid 56 and name HB2 )(resid 57 and name HN ) 4.0 2.2 1
assign (resid 56 and name HB1 )(resid 57 and name HN ) 4.0 2.2 1
assign (resid 56 and name HB# )(resid 99 and name HD1# ) 4.0 2.2 1
assign (resid 56 and name HD2# )(resid 57 and name HN ) 4.0 2.2 1
assign (resid 57 and name HN )(resid 57 and name HA ) 4.0 2.2 1
assign (resid 57 and name HN )(resid 57 and name HB ) 4.0 2.2 1
assign (resid 57 and name HN )(resid 57 and name HG1# ) 4.0 2.2 1
assign (resid 57 and name HN )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 57 and name HA )(resid 57 and name HG1# ) 4.0 2.2 1
assign (resid 57 and name HA )(resid 57 and name HG2# ) 4.0 2.2 1
assign (resid 57 and name HA )(resid 58 and name HN ) 3.0 1.2 0.5
assign (resid 57 and name HA )(resid 98 and name HA ) 3.0 1.2 0.5
assign (resid 57 and name HA )(resid 99 and name HN ) 4.0 2.2 1
assign (resid 57 and name HG1# )(resid 58 and name HN ) 4.0 2.2 1
assign (resid 57 and name HG2# )(resid 58 and name HN ) 4.0 2.2 1
assign (resid 57 and name HG1# )(resid 59 and name HN ) 4.0 2.2 1
assign (resid 57 and name HG1# )(resid 59 and name HD2# ) 4.0 2.2 1
assign (resid 57 and name HG2# )(resid 59 and name HD2# ) 4.0 2.2 1
assign (resid 57 and name HG1# )(resid 96 and name HA ) 4.0 2.2 1
assign (resid 57 and name HG1# )(resid 96 and name HB2 ) 4.0 2.2 1
assign (resid 57 and name HG1# )(resid 96 and name HB1 ) 4.0 2.2 1
assign (resid 57 and name HG1# )(resid 97 and name HN ) 4.0 2.2 1
assign (resid 57 and name HG2# )(resid 99 and name HN ) 4.0 2.2 1
assign (resid 58 and name HN )(resid 58 and name HA ) 4.0 2.2 1
assign (resid 58 and name HN )(resid 58 and name HB2 ) 4.0 2.2 1
assign (resid 58 and name HN )(resid 58 and name HB1 ) 4.0 2.2 1
assign (resid 58 and name HN )(resid 58 and name HD2# ) 4.0 2.2 1
assign (resid 58 and name HN )(resid 59 and name HN ) 4.0 2.2 1
assign (resid 58 and name HN )(resid 97 and name HN ) 3.0 1.2 0.5
assign (resid 58 and name HN )(resid 99 and name HN ) 4.0 2.2 1
assign (resid 58 and name HA )(resid 58 and name HG ) 4.0 2.2 1
assign (resid 58 and name HA )(resid 58 and name HD1# ) 4.0 2.2 1
assign (resid 58 and name HA )(resid 58 and name HD2# ) 4.0 2.2 1
assign (resid 58 and name HA )(resid 59 and name HN ) 3.0 1.2 0.5
assign (resid 58 and name HB2 )(resid 58 and name HD2# ) 4.0 2.2 1
assign (resid 58 and name HB1 )(resid 58 and name HD2# ) 4.0 2.2 1
assign (resid 58 and name HB# )(resid 97 and name HB# ) 4.0 2.2 1
assign (resid 58 and name HG )(resid 59 and name HN ) 4.0 2.2 1
assign (resid 58 and name HD1# )(resid 59 and name HN ) 4.0 2.2 1
assign (resid 58 and name HD2# )(resid 60 and name HB# ) 4.0 2.2 1
assign (resid 58 and name HD2# )(resid 97 and name HN ) 4.0 2.2 1
assign (resid 59 and name HN )(resid 59 and name HA ) 4.0 2.2 1
assign (resid 59 and name HN )(resid 59 and name HB2 ) 4.0 2.2 1
assign (resid 59 and name HN )(resid 59 and name HB1 ) 4.0 2.2 1
assign (resid 59 and name HN )(resid 59 and name HG ) 4.0 2.2 1
assign (resid 59 and name HN )(resid 59 and name HD1# ) 4.0 2.2 1
assign (resid 59 and name HN )(resid 59 and name HD2# ) 4.0 2.2 1
assign (resid 59 and name HA )(resid 59 and name HG ) 4.0 2.2 1
assign (resid 59 and name HA )(resid 59 and name HD2# ) 4.0 2.2 1
assign (resid 59 and name HA )(resid 60 and name HN ) 4.0 2.2 1
assign (resid 59 and name HA )(resid 96 and name HA ) 3.0 1.2 0.5
assign (resid 59 and name HA )(resid 97 and name HN ) 4.0 2.2 1
assign (resid 59 and name HB2 )(resid 59 and name HD1# ) 4.0 2.2 1
assign (resid 59 and name HB2 )(resid 59 and name HD2# ) 4.0 2.2 1
assign (resid 59 and name HB1 )(resid 59 and name HD1# ) 4.0 2.2 1
assign (resid 59 and name HB1 )(resid 59 and name HD2# ) 4.0 2.2 1
assign (resid 59 and name HB# )(resid 60 and name HN ) 3.0 1.2 0.5
assign (resid 59 and name HB# )(resid 93 and name HG1# ) 4.0 2.2 1
assign (resid 59 and name HD2# )(resid 60 and name HN ) 4.0 2.2 1
assign (resid 59 and name HD1# )(resid 88 and name HD2# ) 4.0 2.2 1
assign (resid 59 and name HD1# )(resid 93 and name HG2# ) 4.0 2.2 1
assign (resid 59 and name HD2# )(resid 93 and name HG1# ) 4.0 2.2 1
assign (resid 59 and name HD2# )(resid 93 and name HG2# ) 4.0 2.2 1
assign (resid 59 and name HD2# )(resid 96 and name HA ) 4.0 2.2 1
assign (resid 59 and name HD2# )(resid 96 and name HB# ) 4.0 2.2 1
assign (resid 59 and name HD2# )(resid 97 and name HN ) 4.0 2.2 1
assign (resid 60 and name HN )(resid 60 and name HA ) 4.0 2.2 1
assign (resid 60 and name HN )(resid 60 and name HB# ) 4.0 2.2 1
assign (resid 60 and name HN )(resid 61 and name HN ) 4.0 2.2 1
assign (resid 60 and name HN )(resid 95 and name HN ) 4.0 2.2 1
assign (resid 60 and name HN )(resid 96 and name HA ) 4.0 2.2 1
assign (resid 60 and name HA )(resid 61 and name HN ) 4.0 2.2 1
assign (resid 60 and name HA )(resid 61 and name HG2# ) 4.0 2.2 1
assign (resid 60 and name HB# )(resid 61 and name HN ) 4.0 2.2 1
assign (resid 60 and name HB# )(resid 95 and name HN ) 4.0 2.2 1
assign (resid 60 and name HB# )(resid 95 and name HB# ) 4.0 2.2 1
assign (resid 60 and name HB# )(resid 95 and name HD# ) 4.0 2.2 1
assign (resid 61 and name HN )(resid 61 and name HA ) 4.0 2.2 1
assign (resid 61 and name HN )(resid 61 and name HB ) 3.0 1.2 0.5
assign (resid 61 and name HN )(resid 61 and name HG1# ) 4.0 2.2 1
assign (resid 61 and name HN )(resid 61 and name HG2# ) 4.0 2.2 1
assign (resid 61 and name HA )(resid 61 and name HG1# ) 4.0 2.2 1
assign (resid 61 and name HA )(resid 61 and name HG2# ) 4.0 2.2 1
assign (resid 61 and name HA )(resid 62 and name HN ) 3.0 1.2 0.5
assign (resid 61 and name HA )(resid 93 and name HA ) 4.0 2.2 1
assign (resid 61 and name HA )(resid 94 and name HN ) 4.0 2.2 1
assign (resid 61 and name HA )(resid 94 and name HB ) 4.0 2.2 1
assign (resid 61 and name HA )(resid 95 and name HN ) 4.0 2.2 1
assign (resid 61 and name HG1# )(resid 62 and name HN ) 4.0 2.2 1
assign (resid 61 and name HG2# )(resid 62 and name HN ) 4.0 2.2 1
assign (resid 61 and name HG1# )(resid 63 and name HN ) 4.0 2.2 1
assign (resid 61 and name HG1# )(resid 63 and name HA ) 4.0 2.2 1
assign (resid 61 and name HG1# )(resid 92 and name HB# ) 4.0 2.2 1
assign (resid 61 and name HG1# )(resid 92 and name HG# ) 4.0 2.2 1    
assign (resid 61 and name HG2# )(resid 93 and name HA ) 4.0 2.2 1
assign (resid 61 and name HG2# )(resid 93 and name HG2# ) 4.0 2.2 1
assign (resid 61 and name HG2# )(resid 94 and name HN ) 4.0 2.2 1
assign (resid 61 and name HG1# )(resid 94 and name HB ) 4.0 2.2 1
assign (resid 61 and name HG2# )(resid 94 and name HB ) 4.0 2.2 1
assign (resid 62 and name HB# )(resid 63 and name HN ) 4.0 2.2 1
assign (resid 62 and name HN )(resid 62 and name HB# ) 3.0 1.2 0.5
assign (resid 62 and name HN )(resid 62 and name HA ) 4.0 2.2 1
assign (resid 62 and name HN )(resid 62 and name HG2 ) 4.0 2.2 1
assign (resid 62 and name HN )(resid 62 and name HG1 ) 4.0 2.2 1
assign (resid 62 and name HN )(resid 94 and name HN ) 4.0 2.2 1
assign (resid 62 and name HN )(resid 94 and name HG2# ) 4.0 2.2 1
assign (resid 62 and name HA )(resid 63 and name HN ) 3.0 1.2 0.5
assign (resid 62 and name HG# )(resid 94 and name HG2# ) 4.0 2.2 1
assign (resid 63 and name HN )(resid 63 and name HA ) 4.0 2.2 1
assign (resid 63 and name HN )(resid 63 and name HB# ) 4.0 2.2 1
assign (resid 63 and name HN )(resid 64 and name HN ) 4.0 2.2 1
assign (resid 63 and name HA )(resid 66 and name HD1# ) 4.0 2.2 1
assign (resid 63 and name HA )(resid 70 and name HD2# ) 4.0 2.2 1
assign (resid 63 and name HB# )(resid 64 and name HN ) 4.0 2.2 1
assign (resid 63 and name HB# )(resid 64 and name HA ) 4.0 2.2 1
assign (resid 63 and name HB# )(resid 66 and name HD1# ) 4.0 2.2 1
assign (resid 63 and name HB# )(resid 70 and name HD2# ) 4.0 2.2 1
assign (resid 63 and name HB# )(resid 72 and name HE1 ) 4.0 2.2 1
assign (resid 63 and name HB# )(resid 72 and name HZ2 ) 4.0 2.2 1
assign (resid 64 and name HN )(resid 64 and name HA ) 4.0 2.2 1
assign (resid 64 and name HN )(resid 64 and name HB2 ) 4.0 2.2 1
assign (resid 64 and name HN )(resid 64 and name HB1 ) 4.0 2.2 1
assign (resid 64 and name HN )(resid 64 and name HG# ) 4.0 2.2 1
assign (resid 64 and name HN )(resid 65 and name HD2 ) 4.0 2.2 1
assign (resid 64 and name HN )(resid 65 and name HD1 ) 4.0 2.2 1
assign (resid 64 and name HA )(resid 64 and name HG2 ) 4.0 2.2 1
assign (resid 64 and name HA )(resid 64 and name HG1 ) 4.0 2.2 1
assign (resid 64 and name HB2 )(resid 65 and name HD2 ) 4.0 2.2 1
assign (resid 64 and name HB2 )(resid 65 and name HD1 ) 4.0 2.2 1
assign (resid 64 and name HB1 )(resid 65 and name HD2 ) 4.0 2.2 1
assign (resid 64 and name HB1 )(resid 65 and name HD1 ) 4.0 2.2 1
assign (resid 65 and name HA )(resid 66 and name HN ) 4.0 2.2 1
assign (resid 65 and name HA )(resid 67 and name HN ) 4.0 2.2 1
assign (resid 65 and name HD2 )(resid 66 and name HN ) 4.0 2.2 1
assign (resid 65 and name HD1 )(resid 66 and name HN ) 4.0 2.2 1
assign (resid 66 and name HN )(resid 66 and name HA ) 4.0 2.2 1
assign (resid 66 and name HN )(resid 66 and name HB2 ) 4.0 2.2 1
assign (resid 66 and name HN )(resid 66 and name HB1 ) 4.0 2.2 1
assign (resid 66 and name HN )(resid 66 and name HG ) 4.0 2.2 1
assign (resid 66 and name HN )(resid 66 and name HD1# ) 4.0 2.2 1
assign (resid 66 and name HN )(resid 66 and name HD2# ) 4.0 2.2 1
assign (resid 66 and name HN )(resid 67 and name HN ) 3.0 1.2 0.5
assign (resid 66 and name HA )(resid 66 and name HG ) 4.0 2.2 1
assign (resid 66 and name HA )(resid 66 and name HD1# ) 4.0 2.2 1
assign (resid 66 and name HA )(resid 66 and name HD2# ) 4.0 2.2 1
assign (resid 66 and name HA )(resid 67 and name HN ) 4.0 2.2 1
assign (resid 66 and name HB2 )(resid 66 and name HD1# ) 4.0 2.2 1
assign (resid 66 and name HB2 )(resid 66 and name HD2# ) 4.0 2.2 1
assign (resid 66 and name HB1 )(resid 66 and name HD1# ) 4.0 2.2 1
assign (resid 66 and name HB1 )(resid 66 and name HD2# ) 4.0 2.2 1
assign (resid 66 and name HB# )(resid 67 and name HN ) 4.0 2.2 1
assign (resid 66 and name HG )(resid 67 and name HN ) 4.0 2.2 1
assign (resid 66 and name HD1# )(resid 69 and name HN ) 4.0 2.2 1
assign (resid 66 and name HD1# )(resid 70 and name HD1# ) 4.0 2.2 1
assign (resid 67 and name HN )(resid 67 and name HA2 ) 3.0 1.2 0.5
assign (resid 67 and name HN )(resid 67 and name HA1 ) 4.0 2.2 1
assign (resid 67 and name HN )(resid 68 and name HN ) 4.0 2.2 1
assign (resid 67 and name HA2 )(resid 68 and name HN ) 3.0 1.2 0.5
assign (resid 67 and name HA1 )(resid 68 and name HN ) 3.0 1.2 0.5
assign (resid 67 and name HA# )(resid 69 and name HN ) 4.0 2.2 1
assign (resid 68 and name HG# )(resid 69 and name HN ) 4.0 2.2 1
assign (resid 68 and name HN )(resid 68 and name HG# ) 4.0 2.2 1
assign (resid 68 and name HN )(resid 68 and name HA ) 3.0 1.2 0.5
assign (resid 68 and name HN )(resid 68 and name HB2 ) 3.0 1.2 0.5
assign (resid 68 and name HN )(resid 68 and name HB1 ) 3.0 1.2 1.0    !violated; increase bound to 4A
assign (resid 68 and name HN )(resid 69 and name HN ) 3.0 1.2 0.5
assign (resid 68 and name HA )(resid 68 and name HG# ) 4.0 2.2 1
assign (resid 68 and name HA )(resid 69 and name HN ) 4.0 2.2 1
assign (resid 68 and name HA )(resid 70 and name HN ) 4.0 2.2 1
assign (resid 68 and name HB2 )(resid 69 and name HN ) 4.0 2.2 1
assign (resid 68 and name HB1 )(resid 69 and name HN ) 4.0 2.2 1
assign (resid 68 and name HB# )(resid 69 and name HA ) 4.0 2.2 1
assign (resid 69 and name HN )(resid 69 and name HA ) 3.0 1.2 0.5
assign (resid 69 and name HN )(resid 69 and name HB2 ) 4.0 2.2 1
assign (resid 69 and name HN )(resid 69 and name HB1 ) 4.0 2.2 1
assign (resid 69 and name HN )(resid 70 and name HN ) 3.0 1.2 0.5
assign (resid 69 and name HN )(resid 84 and name HD## ) 4.0 2.2 1
assign (resid 69 and name HA )(resid 70 and name HN ) 4.0 2.2 1
assign (resid 69 and name HA )(resid 70 and name HA ) 4.0 2.2 1
assign (resid 69 and name HB# )(resid 70 and name HN ) 4.0 2.2 1
assign (resid 69 and name HB2 )(resid 84 and name HD## ) 4.0 2.2 1
assign (resid 69 and name HB1 )(resid 84 and name HD## ) 4.0 2.2 1
assign (resid 69 and name HB2 )(resid 86 and name HG# ) 4.0 2.2 1
assign (resid 69 and name HB1 )(resid 86 and name HG# ) 4.0 2.2 1
assign (resid 70 and name HN )(resid 70 and name HA ) 4.0 2.2 1
assign (resid 70 and name HN )(resid 70 and name HB2 ) 4.0 2.2 1
assign (resid 70 and name HN )(resid 70 and name HB1 ) 4.0 2.2 1
assign (resid 70 and name HN )(resid 70 and name HG ) 4.0 2.2 1
assign (resid 70 and name HN )(resid 70 and name HD1# ) 4.0 2.2 1
assign (resid 70 and name HN )(resid 70 and name HD2# ) 4.0 2.2 1
assign (resid 70 and name HN )(resid 71 and name HN ) 4.0 2.2 1
assign (resid 70 and name HN )(resid 84 and name HD## ) 4.0 2.2 1
assign (resid 70 and name HA )(resid 70 and name HG ) 4.0 2.2 1
assign (resid 70 and name HA )(resid 70 and name HD1# ) 4.0 2.2 1
assign (resid 70 and name HA )(resid 71 and name HN ) 4.0 2.2 1
assign (resid 70 and name HA )(resid 84 and name HA ) 4.0 2.2 1
assign (resid 70 and name HA )(resid 84 and name HD## ) 4.0 2.2 1
assign (resid 70 and name HB2 )(resid 70 and name HD1# ) 4.0 2.2 1
assign (resid 70 and name HB2 )(resid 70 and name HD2# ) 4.0 2.2 1
assign (resid 70 and name HB1 )(resid 70 and name HD1# ) 4.0 2.2 1
assign (resid 70 and name HB1 )(resid 70 and name HD2# ) 4.0 2.2 1
assign (resid 70 and name HG )(resid 71 and name HN ) 4.0 2.2 1
assign (resid 70 and name HG )(resid 72 and name HD1 ) 4.0 2.2 1
assign (resid 70 and name HD1# )(resid 71 and name HN ) 4.0 2.2 1
assign (resid 70 and name HD2# )(resid 71 and name HN ) 4.0 2.2 1
assign (resid 70 and name HD2# )(resid 72 and name HD1 ) 4.0 2.2 1
assign (resid 70 and name HD2# )(resid 72 and name HE1 ) 4.0 2.2 1
assign (resid 70 and name HD2# )(resid 72 and name HZ2 ) 4.0 2.2 1
assign (resid 70 and name HD1# )(resid 82 and name HA ) 4.0 2.2 1
assign (resid 70 and name HD1# )(resid 82 and name HB2 ) 4.0 2.2 1
assign (resid 70 and name HD1# )(resid 82 and name HB1 ) 4.0 2.2 1
assign (resid 70 and name HD1# )(resid 83 and name HN ) 4.0 2.2 1
assign (resid 70 and name HD1# )(resid 84 and name HA ) 4.0 2.2 1
assign (resid 70 and name HD1# )(resid 84 and name HD1# ) 4.0 2.2 1
assign (resid 70 and name HD1# )(resid 84 and name HD2# ) 4.0 2.2 1
assign (resid 71 and name HG# )(resid 71 and name HE2 ) 4.0 2.2 1
assign (resid 71 and name HG# )(resid 71 and name HE1 ) 4.0 2.2 1
assign (resid 71 and name HG# )(resid 72 and name HN ) 4.0 2.2 1
assign (resid 71 and name HN )(resid 71 and name HG# ) 4.0 2.2 1
assign (resid 71 and name HN )(resid 71 and name HA ) 4.0 2.2 1
assign (resid 71 and name HN )(resid 71 and name HB2 ) 4.0 2.2 1
assign (resid 71 and name HN )(resid 71 and name HB1 ) 4.0 2.2 1
assign (resid 71 and name HN )(resid 83 and name HN ) 4.0 2.2 1
assign (resid 71 and name HN )(resid 84 and name HA ) 4.0 2.2 1
assign (resid 71 and name HN )(resid 84 and name HD## ) 4.0 2.2 1
assign (resid 71 and name HN )(resid 85 and name HE# ) 4.0 2.2 1
assign (resid 71 and name HA )(resid 71 and name HG# ) 4.0 2.2 1
assign (resid 71 and name HA )(resid 72 and name HN ) 3.0 1.2 0.5
assign (resid 71 and name HA )(resid 72 and name HD1 ) 4.0 2.2 1
assign (resid 71 and name HB2 )(resid 71 and name HD# ) 4.0 2.2 1
assign (resid 71 and name HB1 )(resid 71 and name HD# ) 4.0 2.2 1
assign (resid 71 and name HB# )(resid 72 and name HN ) 4.0 2.2 1
assign (resid 71 and name HB2 )(resid 85 and name HE# ) 4.0 2.2 1
assign (resid 71 and name HB1 )(resid 85 and name HE# ) 4.0 2.2 1
assign (resid 71 and name HD# )(resid 85 and name HE# ) 4.0 2.2 1
assign (resid 72 and name HN )(resid 72 and name HA ) 3.0 1.2 0.5
assign (resid 72 and name HN )(resid 72 and name HB2 ) 4.0 2.2 1
assign (resid 72 and name HN )(resid 72 and name HB1 ) 4.0 2.2 1
assign (resid 72 and name HN )(resid 72 and name HD1 ) 4.0 2.2 1
assign (resid 72 and name HA )(resid 72 and name HD1 ) 4.0 2.2 1
assign (resid 72 and name HA )(resid 72 and name HE3 ) 4.0 2.2 1
assign (resid 72 and name HA )(resid 73 and name HN ) 2.5 0.7 0.4
assign (resid 72 and name HA )(resid 82 and name HA ) 4.0 2.2 1
assign (resid 72 and name HA )(resid 83 and name HN ) 3.0 1.2 0.5
assign (resid 72 and name HB2 )(resid 72 and name HD1 ) 4.0 2.2 1
assign (resid 72 and name HB1 )(resid 72 and name HD1 ) 4.0 2.2 1
assign (resid 72 and name HB2 )(resid 72 and name HE3 ) 4.0 2.2 1
assign (resid 72 and name HB1 )(resid 72 and name HE3 ) 4.0 2.2 1
assign (resid 72 and name HB2 )(resid 73 and name HN ) 4.0 2.2 1
assign (resid 72 and name HB1 )(resid 73 and name HN ) 4.0 2.2 1
assign (resid 72 and name HH2 )(resid 82 and name HG# ) 4.0 2.2 1
assign (resid 72 and name HZ3 )(resid 81 and name HA ) 4.0 2.2 1
assign (resid 72 and name HZ3 )(resid 82 and name HD2 ) 4.0 2.2 1
assign (resid 72 and name HZ3 )(resid 82 and name HD1 ) 4.0 2.2 1
assign (resid 72 and name HE3 )(resid 80 and name HB2 ) 4.0 2.2 1
assign (resid 72 and name HE3 )(resid 80 and name HB1 ) 4.0 2.2 1
assign (resid 72 and name HE3 )(resid 80 and name HG# ) 4.0 2.2 1
assign (resid 72 and name HE3 )(resid 81 and name HA ) 4.0 2.2 1
assign (resid 72 and name HE3 )(resid 82 and name HD# ) 4.0 2.2 1
assign (resid 73 and name HN )(resid 73 and name HA ) 3.0 1.2 0.5
assign (resid 73 and name HN )(resid 73 and name HB# ) 4.0 2.2 1
assign (resid 73 and name HN )(resid 81 and name HN ) 4.0 2.2 1
assign (resid 73 and name HN )(resid 82 and name HA ) 4.0 2.2 1
assign (resid 73 and name HN )(resid 83 and name HB# ) 4.0 2.2 1
assign (resid 73 and name HA )(resid 73 and name HG2 ) 4.0 2.2 1
assign (resid 73 and name HA )(resid 73 and name HG1 ) 4.0 2.2 1
assign (resid 73 and name HA )(resid 74 and name HN ) 4.0 2.2 1
assign (resid 73 and name HB2 )(resid 74 and name HN ) 4.0 2.2 1
assign (resid 73 and name HB1 )(resid 74 and name HN ) 4.0 2.2 1
assign (resid 74 and name HN )(resid 74 and name HA ) 4.0 2.2 1
assign (resid 74 and name HN )(resid 74 and name HB# ) 4.0 2.2 1
assign (resid 74 and name HA )(resid 75 and name HN ) 4.0 2.2 1
assign (resid 74 and name HB# )(resid 75 and name HN ) 4.0 2.2 1
assign (resid 74 and name HB# )(resid 80 and name HG2 ) 4.0 2.2 1
assign (resid 74 and name HB# )(resid 80 and name HG1 ) 4.0 2.2 1
assign (resid 74 and name HB# )(resid 81 and name HN ) 4.0 2.2 1
assign (resid 75 and name HN )(resid 75 and name HA ) 3.0 1.2 0.5
assign (resid 75 and name HN )(resid 75 and name HB2 ) 4.0 2.2 1
assign (resid 75 and name HN )(resid 75 and name HB1 ) 4.0 2.2 1
assign (resid 75 and name HN )(resid 81 and name HD# ) 4.0 2.2 1
assign (resid 75 and name HA )(resid 76 and name HA ) 4.0 2.2 1
assign (resid 76 and name HB# )(resid 76 and name HD# ) 4.0 2.2 1
assign (resid 76 and name HA )(resid 76 and name HG# ) 4.0 2.2 1
assign (resid 76 and name HA )(resid 76 and name HD# ) 4.0 2.2 1
assign (resid 78 and name HN )(resid 78 and name HA2 ) 4.0 2.2 1
assign (resid 78 and name HN )(resid 78 and name HA1 ) 4.0 2.2 1
assign (resid 78 and name HN )(resid 79 and name HN ) 4.0 2.2 1
assign (resid 78 and name HN )(resid 79 and name HB# ) 4.0 2.2 1
assign (resid 78 and name HA2 )(resid 79 and name HN ) 4.0 2.2 1
assign (resid 78 and name HA1 )(resid 79 and name HN ) 4.0 2.2 1
assign (resid 79 and name HN )(resid 79 and name HA ) 4.0 2.2 1
assign (resid 79 and name HN )(resid 79 and name HB# ) 4.0 2.2 1
assign (resid 79 and name HN )(resid 80 and name HN ) 4.0 2.2 1
assign (resid 79 and name HA )(resid 80 and name HN ) 4.0 2.2 1
assign (resid 79 and name HB# )(resid 80 and name HN ) 4.0 2.2 1
assign (resid 79 and name HB# )(resid 81 and name HD# ) 4.0 2.2 1
assign (resid 79 and name HB# )(resid 81 and name HE# ) 4.0 2.2 1
assign (resid 79 and name HB# )(resid 81 and name HZ ) 4.0 2.2 1
assign (resid 80 and name HN )(resid 80 and name HA ) 4.0 2.2 1
assign (resid 80 and name HN )(resid 80 and name HB2 ) 4.0 2.2 1
assign (resid 80 and name HN )(resid 80 and name HB1 ) 4.0 2.2 1
assign (resid 80 and name HN )(resid 81 and name HN ) 4.0 2.2 1
assign (resid 80 and name HA )(resid 80 and name HG# ) 4.0 2.2 1
assign (resid 80 and name HA )(resid 81 and name HN ) 3.0 1.2 0.5
assign (resid 80 and name HB2 )(resid 80 and name HD# ) 4.0 2.2 1
assign (resid 80 and name HB1 )(resid 80 and name HD# ) 4.0 2.2 1
assign (resid 80 and name HB2 )(resid 81 and name HN ) 4.0 2.2 1
assign (resid 80 and name HB1 )(resid 81 and name HN ) 4.0 2.2 1
assign (resid 80 and name HG# )(resid 81 and name HN ) 4.0 2.2 1
assign (resid 81 and name HD# )(resid 82 and name HD# ) 4.0 2.2 1
assign (resid 81 and name HN )(resid 81 and name HD# ) 4.0 2.2 1
assign (resid 81 and name HN )(resid 81 and name HA ) 4.0 2.2 1
assign (resid 81 and name HN )(resid 81 and name HB2 ) 4.0 2.2 1
assign (resid 81 and name HN )(resid 81 and name HB1 ) 4.0 2.2 1
assign (resid 81 and name HA )(resid 81 and name HD# ) 4.0 2.2 1
assign (resid 81 and name HA )(resid 82 and name HD2 ) 4.0 2.2 1
assign (resid 81 and name HA )(resid 82 and name HD1 ) 4.0 2.2 1
assign (resid 81 and name HB2 )(resid 81 and name HD# ) 4.0 2.2 1
assign (resid 81 and name HB1 )(resid 81 and name HD# ) 4.0 2.2 1
assign (resid 81 and name HB2 )(resid 82 and name HD# ) 4.0 2.2 1
assign (resid 81 and name HB1 )(resid 82 and name HD# ) 4.0 2.2 1
assign (resid 82 and name HA )(resid 83 and name HN ) 3.0 1.2 0.5
assign (resid 82 and name HB# )(resid 83 and name HN ) 4.0 2.2 1
assign (resid 83 and name HN )(resid 83 and name HA ) 4.0 2.2 1
assign (resid 83 and name HN )(resid 83 and name HB2 ) 4.0 2.2 1
assign (resid 83 and name HN )(resid 83 and name HB1 ) 4.0 2.2 1
assign (resid 83 and name HA )(resid 83 and name HD2 ) 4.0 2.2 1
assign (resid 83 and name HA )(resid 84 and name HN ) 3.0 1.2 0.5
assign (resid 83 and name HB2 )(resid 84 and name HN ) 4.0 2.2 1
assign (resid 83 and name HB1 )(resid 84 and name HN ) 4.0 2.2 1
assign (resid 83 and name HB2 )(resid 85 and name HE# ) 4.0 2.2 1
assign (resid 83 and name HB1 )(resid 85 and name HE# ) 4.0 2.2 1
assign (resid 84 and name HN )(resid 84 and name HA ) 4.0 2.2 1
assign (resid 84 and name HN )(resid 84 and name HB2 ) 4.0 2.2 1
assign (resid 84 and name HN )(resid 84 and name HB1 ) 4.0 2.2 1
assign (resid 84 and name HN )(resid 84 and name HD## ) 4.0 2.2 1
assign (resid 84 and name HN )(resid 85 and name HN ) 4.0 1.2 1     !increase upl to 5.0 (diagonal peak)
assign (resid 84 and name HA )(resid 84 and name HG ) 4.0 2.2 1
assign (resid 84 and name HA )(resid 84 and name HD## ) 4.0 2.2 1
assign (resid 84 and name HA )(resid 85 and name HD# ) 4.0 2.2 1
assign (resid 84 and name HA )(resid 85 and name HN ) 3.0 1.2 0.5
assign (resid 84 and name HA )(resid 86 and name HN ) 4.0 2.2 1
assign (resid 84 and name HB# )(resid 84 and name HD## ) 4.0 2.2 1
assign (resid 84 and name HB2 )(resid 85 and name HN ) 4.0 2.2 1
assign (resid 84 and name HB1 )(resid 85 and name HN ) 4.0 2.2 1
assign (resid 84 and name HG )(resid 85 and name HN ) 4.0 2.2 1
assign (resid 84 and name HG )(resid 86 and name HN ) 4.0 2.2 1
assign (resid 84 and name HD## )(resid 85 and name HN ) 4.0 2.2 1
assign (resid 84 and name HD1# )(resid 86 and name HN ) 4.0 2.2 1
assign (resid 84 and name HD## )(resid 86 and name HN ) 4.0 2.2 1
assign (resid 84 and name HD1# )(resid 86 and name HG# ) 4.0 2.2 1
assign (resid 84 and name HD2# )(resid 86 and name HG# ) 4.0 2.2 1
assign (resid 84 and name HD## )(resid 86 and name HE ) 4.0 2.2 1
assign (resid 84 and name HD## )(resid 88 and name HA ) 4.0 2.2 1
assign (resid 84 and name HD## )(resid 88 and name HB# ) 4.0 2.2 1
assign (resid 85 and name HN )(resid 85 and name HD# ) 4.0 2.2 1
assign (resid 85 and name HN )(resid 85 and name HA ) 4.0 2.2 1
assign (resid 85 and name HN )(resid 85 and name HB2 ) 4.0 2.2 1
assign (resid 85 and name HN )(resid 85 and name HB1 ) 4.0 2.2 1
assign (resid 85 and name HN )(resid 86 and name HN ) 4.0 2.2 1
assign (resid 85 and name HA )(resid 85 and name HD# ) 4.0 2.2 1
assign (resid 85 and name HA )(resid 86 and name HN ) 3.0 1.2 0.5
assign (resid 85 and name HB2 )(resid 85 and name HD# ) 4.0 2.2 1
assign (resid 85 and name HB1 )(resid 85 and name HD# ) 4.0 2.2 1
assign (resid 85 and name HB# )(resid 85 and name HE# ) 4.0 2.2 1
assign (resid 86 and name HN )(resid 86 and name HA ) 4.0 2.2 1
assign (resid 86 and name HN )(resid 86 and name HG2 ) 4.0 2.2 1
assign (resid 86 and name HN )(resid 86 and name HG1 ) 4.0 2.2 1
assign (resid 86 and name HA )(resid 87 and name HD2 ) 4.0 2.2 1
assign (resid 86 and name HA )(resid 87 and name HD1 ) 4.0 2.2 1
assign (resid 86 and name HB2 )(resid 86 and name HD2 ) 4.0 2.2 1
assign (resid 86 and name HB2 )(resid 86 and name HD1 ) 4.0 2.2 1
assign (resid 86 and name HB1 )(resid 86 and name HD2 ) 4.0 2.2 1
assign (resid 86 and name HB1 )(resid 86 and name HD1 ) 4.0 2.2 1
assign (resid 86 and name HB2 )(resid 87 and name HD2 ) 4.0 2.2 1
assign (resid 86 and name HB2 )(resid 87 and name HD1 ) 4.0 2.2 1
assign (resid 86 and name HB1 )(resid 87 and name HD2 ) 4.0 2.2 1
assign (resid 86 and name HB1 )(resid 87 and name HD1 ) 4.0 2.2 1
assign (resid 87 and name HA )(resid 88 and name HN ) 3.0 1.2 0.5
assign (resid 87 and name HB2 )(resid 88 and name HN ) 4.0 2.2 1
assign (resid 87 and name HB1 )(resid 88 and name HN ) 4.0 2.2 1
assign (resid 87 and name HG# )(resid 88 and name HN ) 4.0 2.2 1
assign (resid 87 and name HG# )(resid 89 and name HD2# ) 4.0 2.2 1
assign (resid 88 and name HN )(resid 88 and name HA ) 4.0 2.2 1
assign (resid 88 and name HN )(resid 88 and name HB2 ) 4.0 2.2 1
assign (resid 88 and name HN )(resid 88 and name HB1 ) 4.0 2.2 1
assign (resid 88 and name HN )(resid 88 and name HD2# ) 4.0 2.2 1
assign (resid 88 and name HN )(resid 89 and name HD2# ) 4.0 2.2 1
assign (resid 88 and name HA )(resid 88 and name HG ) 4.0 2.2 1
assign (resid 88 and name HA )(resid 88 and name HD1# ) 4.0 2.2 1
assign (resid 88 and name HA )(resid 89 and name HN ) 3.0 1.2 0.5
assign (resid 88 and name HA )(resid 89 and name HD2# ) 4.0 2.2 1
assign (resid 88 and name HB2 )(resid 88 and name HD1# ) 4.0 2.2 1
assign (resid 88 and name HB2 )(resid 88 and name HD2# ) 4.0 2.2 1
assign (resid 88 and name HB1 )(resid 88 and name HD1# ) 4.0 2.2 1
assign (resid 88 and name HB1 )(resid 88 and name HD2# ) 4.0 2.2 1
assign (resid 88 and name HB# )(resid 89 and name HN ) 4.0 2.2 1
assign (resid 88 and name HG )(resid 89 and name HN ) 4.0 2.2 1
assign (resid 88 and name HG )(resid 92 and name HB# ) 4.0 2.2 1
assign (resid 88 and name HD1# )(resid 89 and name HN ) 4.0 2.2 1
assign (resid 88 and name HD1# )(resid 92 and name HB# ) 4.0 2.2 1
assign (resid 89 and name HB# )(resid 89 and name HD1# ) 4.0 2.2 1
assign (resid 89 and name HB# )(resid 89 and name HD2# ) 4.0 2.2 1
assign (resid 89 and name HB# )(resid 90 and name HN ) 3.0 1.2 0.5
assign (resid 89 and name HB# )(resid 91 and name HN ) 4.0 2.2 1
assign (resid 89 and name HB# )(resid 92 and name HN ) 3.0 1.2 0.5
assign (resid 89 and name HB# )(resid 92 and name HB# ) 4.0 2.2 1
assign (resid 89 and name HB# )(resid 92 and name HG# ) 4.0 2.2 1
assign (resid 89 and name HN )(resid 89 and name HB# ) 4.0 2.2 1
assign (resid 89 and name HN )(resid 89 and name HA ) 4.0 2.2 1
assign (resid 89 and name HN )(resid 89 and name HG ) 4.0 2.2 1
assign (resid 89 and name HN )(resid 89 and name HD1# ) 4.0 2.2 1
assign (resid 89 and name HN )(resid 89 and name HD2# ) 4.0 2.2 1
assign (resid 89 and name HN )(resid 90 and name HN ) 4.0 2.2 1
assign (resid 89 and name HN )(resid 92 and name HB2 ) 4.0 2.2 1
assign (resid 89 and name HN )(resid 92 and name HB1 ) 4.0 2.2 1
assign (resid 89 and name HN )(resid 92 and name HG# ) 4.0 2.2 1
assign (resid 89 and name HA )(resid 89 and name HG ) 4.0 2.2 1
assign (resid 89 and name HA )(resid 89 and name HD1# ) 4.0 2.2 1
assign (resid 89 and name HA )(resid 89 and name HD2# ) 4.0 2.2 1
assign (resid 89 and name HA )(resid 90 and name HN ) 3.0 1.2 0.5
assign (resid 89 and name HA )(resid 90 and name HA ) 4.0 2.2 1
assign (resid 89 and name HA )(resid 91 and name HN ) 4.0 2.2 1
assign (resid 89 and name HD2# )(resid 90 and name HN ) 4.0 2.2 1
assign (resid 90 and name HN )(resid 90 and name HA ) 3.0 1.2 0.5
assign (resid 90 and name HN )(resid 90 and name HB ) 3.0 1.2 0.5
assign (resid 90 and name HN )(resid 90 and name HG1# ) 4.0 2.2 1
assign (resid 90 and name HN )(resid 90 and name HG2# ) 4.0 2.2 1
assign (resid 90 and name HN )(resid 91 and name HN ) 3.0 1.2 0.5
assign (resid 90 and name HA )(resid 90 and name HG1# ) 4.0 2.2 1
assign (resid 90 and name HA )(resid 90 and name HG2# ) 4.0 2.2 1
assign (resid 90 and name HA )(resid 91 and name HN ) 4.0 2.2 1
assign (resid 90 and name HA )(resid 93 and name HB ) 4.0 2.2 1
assign (resid 90 and name HA )(resid 93 and name HG2# ) 4.0 2.2 1
assign (resid 90 and name HB )(resid 91 and name HN ) 4.0 2.2 1
assign (resid 90 and name HG1# )(resid 91 and name HN ) 4.0 2.2 1
assign (resid 90 and name HG2# )(resid 91 and name HN ) 4.0 2.2 1
assign (resid 90 and name HG1# )(resid 92 and name HN ) 4.0 2.2 1
assign (resid 91 and name HN )(resid 91 and name HA ) 3.0 1.2 0.5
assign (resid 91 and name HN )(resid 91 and name HB2 ) 4.0 2.2 1
assign (resid 91 and name HN )(resid 91 and name HB1 ) 4.0 2.2 1
assign (resid 91 and name HN )(resid 92 and name HN ) 4.0 2.2 1
assign (resid 91 and name HA )(resid 93 and name HG2# ) 4.0 2.2 1
assign (resid 92 and name HN )(resid 92 and name HA ) 3.0 1.2 0.5
assign (resid 92 and name HN )(resid 92 and name HB2 ) 4.0 2.2 1
assign (resid 92 and name HN )(resid 92 and name HB1 ) 4.0 2.2 1
assign (resid 92 and name HN )(resid 92 and name HG# ) 4.0 2.2 1
assign (resid 92 and name HA )(resid 92 and name HG# ) 4.0 2.2 1
assign (resid 92 and name HA )(resid 93 and name HN ) 4.0 2.2 1
assign (resid 92 and name HB# )(resid 93 and name HN ) 4.0 2.2 1
assign (resid 93 and name HN )(resid 93 and name HA ) 4.0 2.2 1
assign (resid 93 and name HN )(resid 93 and name HB ) 3.0 1.2 0.5
assign (resid 93 and name HN )(resid 93 and name HG1# ) 4.0 2.2 1
assign (resid 93 and name HN )(resid 93 and name HG2# ) 4.0 2.2 1
assign (resid 93 and name HN )(resid 94 and name HN ) 4.0 2.2 1
assign (resid 93 and name HA )(resid 93 and name HG1# ) 4.0 2.2 1
assign (resid 93 and name HA )(resid 93 and name HG2# ) 4.0 2.2 1
assign (resid 93 and name HA )(resid 94 and name HN ) 3.0 1.2 0.5
assign (resid 93 and name HA )(resid 94 and name HA ) 4.0 2.2 1
assign (resid 93 and name HG1# )(resid 94 and name HN ) 4.0 2.2 1
assign (resid 93 and name HG2# )(resid 94 and name HN ) 4.0 2.2 1
assign (resid 93 and name HG1# )(resid 94 and name HA ) 4.0 2.2 1
assign (resid 93 and name HG1# )(resid 95 and name HN ) 4.0 2.2 1
assign (resid 93 and name HG1# )(resid 96 and name HN ) 4.0 2.2 1
assign (resid 93 and name HG1# )(resid 96 and name HB# ) 4.0 2.2 1
assign (resid 94 and name HN )(resid 94 and name HA ) 4.0 2.2 1
assign (resid 94 and name HN )(resid 94 and name HB ) 3.0 1.2 0.5
assign (resid 94 and name HN )(resid 94 and name HG2# ) 4.0 2.2 1
assign (resid 94 and name HN )(resid 95 and name HN ) 4.0 2.2 1
assign (resid 94 and name HA )(resid 94 and name HG2# ) 4.0 2.2 1
assign (resid 94 and name HA )(resid 95 and name HN ) 4.0 2.2 1
assign (resid 94 and name HB )(resid 95 and name HN ) 3.0 1.2 0.5
assign (resid 94 and name HG2# )(resid 95 and name HB# ) 4.0 2.2 1
assign (resid 95 and name HN )(resid 95 and name HA ) 4.0 2.2 1
assign (resid 95 and name HN )(resid 95 and name HB# ) 3.0 1.2 0.5
assign (resid 95 and name HN )(resid 96 and name HN ) 4.0 2.2 1
assign (resid 95 and name HA )(resid 95 and name HG2 ) 4.0 2.2 1
assign (resid 95 and name HA )(resid 95 and name HG1 ) 4.0 2.2 1
assign (resid 95 and name HA )(resid 95 and name HD# ) 4.0 2.2 1
assign (resid 95 and name HA )(resid 96 and name HN ) 2.5 0.7 0.4
assign (resid 95 and name HB# )(resid 95 and name HD# ) 4.0 2.2 1
assign (resid 95 and name HB# )(resid 95 and name HE ) 4.0 2.2 1
assign (resid 95 and name HB# )(resid 96 and name HN ) 3.0 1.2 0.5
assign (resid 95 and name HG# )(resid 95 and name HE ) 4.0 2.2 1
assign (resid 95 and name HG2 )(resid 96 and name HN ) 4.0 2.2 1
assign (resid 95 and name HG1 )(resid 96 and name HN ) 4.0 2.2 1
assign (resid 96 and name HN )(resid 96 and name HA ) 4.0 2.2 1
assign (resid 96 and name HN )(resid 96 and name HG2 ) 4.0 2.2 1
assign (resid 96 and name HN )(resid 96 and name HG1 ) 4.0 2.2 1
assign (resid 96 and name HA )(resid 97 and name HN ) 3.0 1.2 0.5
assign (resid 96 and name HA )(resid 97 and name HB# ) 4.0 2.2 1
assign (resid 96 and name HB2 )(resid 97 and name HN ) 4.0 2.2 1
assign (resid 96 and name HB1 )(resid 97 and name HN ) 4.0 2.2 1
assign (resid 97 and name HN )(resid 97 and name HA ) 4.0 2.2 1
assign (resid 97 and name HN )(resid 97 and name HB# ) 4.0 2.2 1
assign (resid 97 and name HA )(resid 98 and name HN ) 4.0 2.2 1
assign (resid 97 and name HB# )(resid 98 and name HN ) 4.0 2.2 1
assign (resid 98 and name HN )(resid 98 and name HA ) 3.0 1.2 0.5
assign (resid 98 and name HN )(resid 98 and name HB2 ) 4.0 2.2 1
assign (resid 98 and name HN )(resid 98 and name HB1 ) 4.0 2.2 1
assign (resid 98 and name HN )(resid 99 and name HN ) 4.0 2.2 1
assign (resid 98 and name HA )(resid 99 and name HN ) 3.0 1.2 0.5
assign (resid 98 and name HB2 )(resid 99 and name HN ) 4.0 2.2 1
assign (resid 98 and name HB1 )(resid 99 and name HN ) 4.0 2.2 1
assign (resid 99 and name HN )(resid 99 and name HA ) 3.0 1.2 0.5
assign (resid 99 and name HN )(resid 99 and name HB2 ) 4.0 2.2 1
assign (resid 99 and name HN )(resid 99 and name HB1 ) 4.0 2.2 1
assign (resid 99 and name HN )(resid 99 and name HG ) 4.0 2.2 1
assign (resid 99 and name HN )(resid 99 and name HD1# ) 4.0 2.2 1
assign (resid 99 and name HN )(resid 99 and name HD2# ) 4.0 2.2 1
assign (resid 99 and name HN )(resid 100 and name HN ) 4.0 2.2 1
assign (resid 99 and name HA )(resid 99 and name HG ) 4.0 2.2 1
assign (resid 99 and name HA )(resid 99 and name HD2# ) 4.0 2.2 1
assign (resid 99 and name HA )(resid 100 and name HN ) 2.5 0.7 0.4
assign (resid 99 and name HB2 )(resid 99 and name HD1# ) 4.0 2.2 1
assign (resid 99 and name HB1 )(resid 99 and name HD1# ) 4.0 2.2 1
assign (resid 99 and name HB1 )(resid 99 and name HD2# ) 4.0 2.2 1
assign (resid 99 and name HB2 )(resid 100 and name HN ) 4.0 2.2 1
assign (resid 99 and name HB1 )(resid 100 and name HN ) 4.0 2.2 1
assign (resid 99 and name HD2# )(resid 100 and name HN ) 4.0 2.2 1
assign (resid 100 and name HN )(resid 100 and name HA ) 4.0 2.2 1
assign (resid 100 and name HN )(resid 100 and name HB2 ) 4.0 2.2 1
assign (resid 100 and name HN )(resid 100 and name HB1 ) 4.0 2.2 1
assign (resid 100 and name HN )(resid 101 and name HN ) 4.0 2.2 1
assign (resid 100 and name HA )(resid 101 and name HN ) 3.0 1.2 0.5
assign (resid 100 and name HB2 )(resid 101 and name HN ) 4.0 2.2 1
assign (resid 100 and name HB1 )(resid 101 and name HN ) 4.0 2.2 1
assign (resid 101 and name HN )(resid 101 and name HA ) 4.0 2.2 1
assign (resid 101 and name HN )(resid 101 and name HB2 ) 4.0 2.2 1
assign (resid 101 and name HN )(resid 101 and name HB1 ) 4.0 2.2 1
assign (resid 101 and name HN )(resid 101 and name HG ) 4.0 2.2 1
assign (resid 101 and name HN )(resid 101 and name HD1# ) 4.0 2.2 1
assign (resid 101 and name HN )(resid 101 and name HD2# ) 4.0 2.2 1
assign (resid 101 and name HN )(resid 102 and name HN ) 4.0 2.2 1
assign (resid 101 and name HA )(resid 101 and name HG ) 4.0 2.2 1
assign (resid 101 and name HA )(resid 101 and name HD2# ) 4.0 2.2 1
assign (resid 101 and name HA )(resid 102 and name HN ) 3.0 1.2 0.5
assign (resid 101 and name HB2 )(resid 101 and name HD1# ) 4.0 2.2 1
assign (resid 101 and name HB1 )(resid 101 and name HD1# ) 4.0 2.2 1
assign (resid 101 and name HB1 )(resid 101 and name HD2# ) 4.0 2.2 1
assign (resid 101 and name HB2 )(resid 102 and name HN ) 4.0 2.2 1
assign (resid 101 and name HB1 )(resid 102 and name HN ) 4.0 2.2 1
assign (resid 101 and name HB# )(resid 105 and name HN ) 4.0 2.2 1
assign (resid 101 and name HD2# )(resid 102 and name HN ) 4.0 2.2 1
assign (resid 101 and name HD1# )(resid 105 and name HN ) 4.0 2.2 1
assign (resid 101 and name HD1# )(resid 105 and name HA2 ) 4.0 2.2 1
assign (resid 101 and name HD1# )(resid 105 and name HA1 ) 4.0 2.2 1
assign (resid 101 and name HD2# )(resid 107 and name HA ) 4.0 2.2 1
assign (resid 101 and name HD2# )(resid 107 and name HB# ) 4.0 2.2 1
assign (resid 101 and name HD2# )(resid 107 and name HG2 ) 4.0 2.2 1
assign (resid 101 and name HD2# )(resid 107 and name HG1 ) 4.0 2.2 1
assign (resid 101 and name HD1# )(resid 107 and name HD# ) 4.0 2.2 1
assign (resid 101 and name HD2# )(resid 107 and name HD# ) 4.0 2.2 1
assign (resid 101 and name HD2# )(resid 108 and name HN ) 4.0 2.2 1
assign (resid 102 and name HN )(resid 102 and name HA ) 4.0 2.2 1
assign (resid 102 and name HN )(resid 102 and name HB2 ) 4.0 2.2 1
assign (resid 102 and name HN )(resid 102 and name HB1 ) 4.0 2.2 1
assign (resid 102 and name HN )(resid 103 and name HN ) 4.0 2.2 1
assign (resid 102 and name HN )(resid 105 and name HN ) 4.0 2.2 1
assign (resid 102 and name HN )(resid 106 and name HN ) 3.0 1.2 0.5
assign (resid 102 and name HN )(resid 108 and name HG# ) 4.0 2.2 1
assign (resid 102 and name HN )(resid 108 and name HE21 ) 4.0 2.2 1
assign (resid 102 and name HA )(resid 103 and name HN ) 3.0 1.2 0.5
assign (resid 102 and name HA )(resid 104 and name HN ) 4.0 2.2 1
assign (resid 102 and name HB2 )(resid 103 and name HN ) 3.0 1.2 2.0     !increase upl
assign (resid 102 and name HB1 )(resid 103 and name HN ) 3.0 1.2 0.5
assign (resid 102 and name HB# )(resid 104 and name HN ) 4.0 2.2 1
assign (resid 103 and name HN )(resid 103 and name HA ) 4.0 2.2 1
assign (resid 103 and name HN )(resid 103 and name HB# ) 4.0 2.2 1
assign (resid 103 and name HN )(resid 104 and name HN ) 4.0 2.2 1
assign (resid 103 and name HN )(resid 105 and name HN ) 4.0 2.2 1
assign (resid 103 and name HA )(resid 104 and name HN ) 4.0 2.2 1
assign (resid 103 and name HA )(resid 105 and name HN ) 4.0 2.2 1
assign (resid 103 and name HB# )(resid 104 and name HN ) 4.0 2.2 1
assign (resid 104 and name HN )(resid 104 and name HA ) 3.0 1.2 0.5
assign (resid 104 and name HN )(resid 104 and name HB2 ) 4.0 2.2 1
assign (resid 104 and name HN )(resid 104 and name HB1 ) 4.0 2.2 1
assign (resid 104 and name HN )(resid 105 and name HN ) 2.5 0.7 0.4
assign (resid 104 and name HN )(resid 105 and name HA2 ) 4.0 2.2 1
assign (resid 104 and name HN )(resid 105 and name HA1 ) 4.0 2.2 1
assign (resid 104 and name HN )(resid 106 and name HN ) 4.0 2.2 1
assign (resid 104 and name HN )(resid 106 and name HB ) 4.0 2.2 1
assign (resid 104 and name HN )(resid 106 and name HG2# ) 4.0 2.2 1
assign (resid 104 and name HA )(resid 105 and name HA# ) 4.0 2.2 1
assign (resid 104 and name HB2 )(resid 105 and name HN ) 4.0 2.2 1
assign (resid 104 and name HB1 )(resid 105 and name HN ) 4.0 2.2 1
assign (resid 104 and name HB# )(resid 106 and name HN ) 4.0 2.2 1
assign (resid 104 and name HB2 )(resid 106 and name HG2# ) 4.0 2.2 1
assign (resid 104 and name HB1 )(resid 106 and name HG2# ) 4.0 2.2 1
assign (resid 105 and name HN )(resid 105 and name HA2 ) 4.0 2.2 1
assign (resid 105 and name HN )(resid 105 and name HA1 ) 4.0 2.2 1
assign (resid 105 and name HN )(resid 106 and name HN ) 3.0 1.2 0.5
assign (resid 105 and name HN )(resid 106 and name HG2# ) 4.0 2.2 1
assign (resid 105 and name HA2 )(resid 106 and name HN ) 4.0 2.2 1
assign (resid 105 and name HA1 )(resid 106 and name HN ) 4.0 2.2 1
assign (resid 106 and name HN )(resid 106 and name HA ) 4.0 2.2 1
assign (resid 106 and name HN )(resid 106 and name HB ) 3.0 1.2 0.5
assign (resid 106 and name HN )(resid 106 and name HG1# ) 4.0 2.2 1
assign (resid 106 and name HN )(resid 106 and name HG2# ) 4.0 2.2 1
assign (resid 106 and name HN )(resid 108 and name HE21 ) 4.0 2.2 1
assign (resid 106 and name HA )(resid 106 and name HG1# ) 4.0 2.2 1
assign (resid 106 and name HA )(resid 106 and name HG2# ) 4.0 2.2 1
assign (resid 106 and name HA )(resid 107 and name HD2 ) 4.0 2.2 1
assign (resid 106 and name HA )(resid 107 and name HD1 ) 4.0 2.2 1
assign (resid 106 and name HB )(resid 108 and name HE21 ) 4.0 2.2 1
assign (resid 106 and name HB )(resid 108 and name HE22 ) 4.0 2.2 1
assign (resid 106 and name HG1# )(resid 107 and name HD# ) 4.0 2.2 1
assign (resid 106 and name HG2# )(resid 107 and name HD# ) 4.0 2.2 1
assign (resid 106 and name HG1# )(resid 108 and name HE21 ) 4.0 2.2 1
assign (resid 106 and name HG1# )(resid 108 and name HE22 ) 4.0 2.2 1
assign (resid 106 and name HG1# )(resid 109 and name HD1# ) 4.0 2.2 1
assign (resid 108 and name HN )(resid 108 and name HA ) 4.0 2.2 1
assign (resid 108 and name HN )(resid 108 and name HB# ) 4.0 2.2 1
assign (resid 108 and name HN )(resid 108 and name HG# ) 4.0 2.2 1
assign (resid 108 and name HN )(resid 109 and name HN ) 4.0 2.2 1
assign (resid 108 and name HA )(resid 108 and name HG# ) 4.0 2.2 1
assign (resid 108 and name HA )(resid 108 and name HE21 ) 4.0 2.2 1
assign (resid 108 and name HA )(resid 109 and name HN ) 2.5 0.7 0.4
assign (resid 108 and name HA )(resid 109 and name HD1# ) 4.0 2.2 1
assign (resid 108 and name HA )(resid 110 and name HN ) 4.0 2.2 1
assign (resid 108 and name HB# )(resid 108 and name HE21 ) 4.0 2.2 1
assign (resid 108 and name HG# )(resid 108 and name HE21 ) 4.0 2.2 1
assign (resid 108 and name HG# )(resid 108 and name HE22 ) 4.0 2.2 1
assign (resid 109 and name HN )(resid 109 and name HA ) 4.0 2.2 1
assign (resid 109 and name HN )(resid 109 and name HB# ) 4.0 2.2 1
assign (resid 109 and name HN )(resid 109 and name HG ) 4.0 2.2 1
assign (resid 109 and name HN )(resid 109 and name HD1# ) 4.0 2.2 1
assign (resid 109 and name HN )(resid 109 and name HD2# ) 4.0 2.2 1
assign (resid 109 and name HN )(resid 110 and name HN ) 2.5 0.7 0.4
assign (resid 109 and name HN )(resid 111 and name HN ) 4.0 2.2 1
assign (resid 109 and name HA )(resid 109 and name HG ) 4.0 2.2 1
assign (resid 109 and name HA )(resid 109 and name HD1# ) 4.0 2.2 1
assign (resid 109 and name HA )(resid 109 and name HD2# ) 4.0 2.2 1
assign (resid 109 and name HA )(resid 110 and name HN ) 4.0 2.2 1
assign (resid 109 and name HA )(resid 112 and name HN ) 4.0 2.2 1
assign (resid 109 and name HA )(resid 112 and name HD2 ) 4.0 2.2 1
assign (resid 109 and name HB# )(resid 109 and name HD1# ) 4.0 2.2 1
assign (resid 109 and name HB# )(resid 109 and name HD2# ) 4.0 2.2 1
assign (resid 109 and name HB# )(resid 110 and name HN ) 4.0 2.2 1
assign (resid 109 and name HB# )(resid 112 and name HN ) 4.0 2.2 1
assign (resid 109 and name HB# )(resid 112 and name HB# ) 4.0 2.2 1
assign (resid 109 and name HB# )(resid 113 and name HG ) 4.0 2.2 1
assign (resid 109 and name HB2 )(resid 113 and name HD2# ) 4.0 2.2 1
assign (resid 109 and name HB1 )(resid 113 and name HD1# ) 4.0 2.2 1
assign (resid 109 and name HB1 )(resid 113 and name HD2# ) 4.0 2.2 1
assign (resid 109 and name HG )(resid 112 and name HD2 ) 4.0 2.2 1
assign (resid 109 and name HD1# )(resid 112 and name HN ) 4.0 2.2 1
assign (resid 109 and name HD1# )(resid 112 and name HB2 ) 4.0 2.2 1
assign (resid 109 and name HD1# )(resid 112 and name HB1 ) 4.0 2.2 1
assign (resid 109 and name HD1# )(resid 112 and name HD2 ) 4.0 2.2 1
assign (resid 109 and name HD2# )(resid 112 and name HD2 ) 4.0 2.2 1
assign (resid 109 and name HD1# )(resid 113 and name HD2# ) 4.0 2.2 1
assign (resid 109 and name HD2# )(resid 113 and name HD2# ) 4.0 2.2 1
assign (resid 110 and name HN )(resid 110 and name HA2 ) 3.0 1.2 0.5
assign (resid 110 and name HN )(resid 110 and name HA1 ) 3.0 1.2 0.5
assign (resid 110 and name HN )(resid 111 and name HN ) 4.0 2.2 1
assign (resid 110 and name HN )(resid 112 and name HN ) 4.0 2.2 1
assign (resid 110 and name HA2 )(resid 111 and name HN ) 4.0 2.2 1
assign (resid 110 and name HA1 )(resid 111 and name HN ) 4.0 2.2 1
assign (resid 110 and name HA# )(resid 113 and name HB# ) 4.0 2.2 1
assign (resid 110 and name HA# )(resid 113 and name HD1# ) 4.0 2.2 1
assign (resid 111 and name HN )(resid 111 and name HA ) 4.0 2.2 1
assign (resid 111 and name HN )(resid 111 and name HB2 ) 4.0 2.2 1
assign (resid 111 and name HN )(resid 111 and name HB1 ) 4.0 2.2 1
assign (resid 111 and name HN )(resid 112 and name HN ) 3.0 1.2 0.5
assign (resid 111 and name HA )(resid 112 and name HN ) 4.0 2.2 1
assign (resid 111 and name HB2 )(resid 112 and name HN ) 4.0 2.2 1
assign (resid 111 and name HB1 )(resid 112 and name HN ) 4.0 2.2 1
assign (resid 112 and name HN )(resid 112 and name HA ) 4.0 2.2 1
assign (resid 112 and name HN )(resid 112 and name HB2 ) 4.0 2.2 1
assign (resid 112 and name HN )(resid 112 and name HB1 ) 4.0 2.2 1
assign (resid 112 and name HN )(resid 112 and name HD2 ) 4.0 2.2 1
assign (resid 112 and name HN )(resid 113 and name HN ) 2.5 0.7 0.4
assign (resid 112 and name HN )(resid 113 and name HG ) 4.0 2.2 1
assign (resid 112 and name HA )(resid 113 and name HN ) 4.0 2.2 1
assign (resid 112 and name HB2 )(resid 112 and name HD2 ) 4.0 2.2 1
assign (resid 112 and name HB1 )(resid 112 and name HD2 ) 4.0 2.2 1
assign (resid 112 and name HB# )(resid 113 and name HN ) 4.0 2.2 1
assign (resid 112 and name HD2 )(resid 113 and name HD2# ) 4.0 2.2 1
assign (resid 113 and name HN )(resid 113 and name HA ) 4.0 2.2 1
assign (resid 113 and name HN )(resid 113 and name HB2 ) 4.0 2.2 1
assign (resid 113 and name HN )(resid 113 and name HB1 ) 4.0 2.2 1
assign (resid 113 and name HN )(resid 113 and name HG ) 4.0 2.2 1
assign (resid 113 and name HN )(resid 113 and name HD1# ) 4.0 2.2 1
assign (resid 113 and name HN )(resid 113 and name HD2# ) 4.0 2.2 1
assign (resid 113 and name HN )(resid 114 and name HN ) 4.0 2.2 1
assign (resid 113 and name HA )(resid 113 and name HG ) 4.0 2.2 1
assign (resid 113 and name HA )(resid 113 and name HD2# ) 4.0 2.2 1
assign (resid 113 and name HA )(resid 114 and name HN ) 3.0 1.2 0.5
assign (resid 113 and name HB2 )(resid 113 and name HD1# ) 4.0 2.2 1
assign (resid 113 and name HB2 )(resid 113 and name HD2# ) 4.0 2.2 1
assign (resid 113 and name HB1 )(resid 113 and name HD1# ) 4.0 2.2 1
assign (resid 113 and name HB1 )(resid 113 and name HD2# ) 4.0 2.2 1
assign (resid 113 and name HB2 )(resid 114 and name HN ) 3.0 1.2 0.5
assign (resid 113 and name HB1 )(resid 114 and name HN ) 3.0 1.2 0.5
assign (resid 113 and name HD2# )(resid 114 and name HN ) 4.0 2.2 1
assign (resid 114 and name HN )(resid 114 and name HA ) 4.0 2.2 1
assign (resid 114 and name HN )(resid 114 and name HB# ) 4.0 2.2 1
assign (resid 114 and name HA )(resid 115 and name HN ) 4.0 2.2 1
assign (resid 114 and name HB# )(resid 115 and name HN ) 4.0 2.2 1
assign (resid 115 and name HN )(resid 115 and name HA ) 4.0 2.2 1
assign (resid 115 and name HN )(resid 115 and name HB# ) 4.0 2.2 1
assign (resid 115 and name HN )(resid 115 and name HG ) 4.0 2.2 1
assign (resid 115 and name HN )(resid 116 and name HN ) 4.0 2.2 1
assign (resid 115 and name HA )(resid 115 and name HG ) 4.0 2.2 1
assign (resid 115 and name HA )(resid 115 and name HD2# ) 4.0 2.2 1
assign (resid 115 and name HA )(resid 116 and name HN ) 3.0 1.2 0.5
assign (resid 115 and name HB2 )(resid 115 and name HD1# ) 4.0 2.2 1
assign (resid 115 and name HB2 )(resid 115 and name HD2# ) 4.0 2.2 1
assign (resid 115 and name HB1 )(resid 115 and name HD1# ) 4.0 2.2 1
assign (resid 115 and name HB1 )(resid 115 and name HD2# ) 4.0 2.2 1
assign (resid 115 and name HB# )(resid 116 and name HN ) 4.0 2.2 1
assign (resid 116 and name HN )(resid 116 and name HA ) 3.0 1.2 0.5
assign (resid 116 and name HN )(resid 116 and name HB# ) 3.0 1.2 0.5
assign (resid 116 and name HA )(resid 116 and name HG2 ) 4.0 2.2 1
assign (resid 116 and name HA )(resid 116 and name HG1 ) 4.0 2.2 1
! Manual Ha-Ha distance constraints (from C13-NOESY in D2O)
!assign (resid 3 and name HA ) (resid 62 and name HA ) 4.0 2.2 1    duplicate 
!assign (resid 4 and name HA ) (resid 38 and name HA ) 4.0 2.2 1    duplicate
!assign (resid 5 and name HA ) (resid 60 and name HA ) 4.0 2.2 1    duplicate
!assign (resid 6 and name HA ) (resid 36 and name HA ) 4.0 2.2 1    duplicate
!assign (resid 9 and name HA ) (resid 56 and name HA ) 4.0 2.2 1    duplicate
!assign (resid 21 and name HA ) (resid 89 and name HA ) 4.0 2.2 1    duplicate
!assign (resid 23 and name HA ) (resid 87 and name HA ) 4.0 2.2 1    duplicate
!assign (resid 33 and name HA ) (resid 85 and name HA ) 4.0 2.2 1    duplicate
!assign (resid 35 and name HA ) (resid 83 and name HA ) 4.0 2.2 1    duplicate
!assign (resid 57 and name HA ) (resid 98 and name HA ) 4.0 2.2 1    duplicate
!assign (resid 59 and name HA ) (resid 96 and name HA ) 4.0 2.2 1    duplicate
!assign (resid 61 and name HA ) (resid 93 and name HA ) 4.0 2.2 1    duplicate
!assign (resid 70 and name HA ) (resid 84 and name HA ) 4.0 2.2 1    duplicate
!assign (resid 72 and name HA ) (resid 82 and name HA ) 4.0 2.2 1    duplicate
! Manual distance constraints for peaks not assigned by AutoStructure
assign (resid 41 and name HE21 )(resid 81 and name HA ) 4.0 2.2 1
assign (resid 41 and name HE22 )(resid 81 and name HA ) 4.0 2.2 1
assign (resid 47 and name HN )(resid 106 and name HG1# ) 4.0 2.2 1
assign (resid 43 and name HN )(resid 113 and name HD1# ) 4.0 2.2 1
assign (resid 13 and name HE1 )(resid 96 and name HB# ) 4.0 2.2 1
assign (resid 43 and name HE21 )(resid 46 and name HB# ) 4.0 2.2 1
assign (resid 7 and name HG2# )(resid 99 and name HD1# ) 4.0 2.2 1
assign (resid 52 and name HN )(resid 101 and name HD1# ) 4.0 2.2 1
assign (resid 52 and name HN )(resid 101 and name HD2# ) 4.0 2.2 1
assign (resid 53 and name HN )(resid 101 and name HD1# ) 4.0 2.2 1    !assigned 05/17
assign (resid 53 and name HN )(resid 101 and name HD2# ) 4.0 2.2 1    !assigned 05/17
assign (resid 97 and name HB# )(resid 112 and name HE1 ) 4.0 2.2 1    !assigned 05/17
assign (resid 47 and name HN )(resid 106 and name HG1# ) 4.0 2.2 1     !assigned 05/22; added 05/26
assign (resid 47 and name HA )(resid 106 and name HG1# ) 4.0 2.2 1     !assigned 05/22; added 05/26
assign (resid 47 and name HB# )(resid 106 and name HG1# ) 4.0 2.2 1    !assigned 05/22; added 05/26
assign (resid 47 and name HA )(resid 106 and name HG2# ) 4.0 2.2 1     !assigned 05/22; added 05/26
assign (resid 47 and name HB# )(resid 106 and name HG2# ) 4.0 2.2 1    !assigned 05/22; added 05/26

! Dihedral angle constraints generated by AutoStructure
!  -- Angle constraint file built by HYPER -- X-Plor | Cns format 
!  -- from data in file  CcR55.hyp
!  -- Version: 3.2 2002/04/18[Linux] (Compiled on: troberto.quifis.uv.es) 
assign (segid    A and resid   2 and name C   ) (segid    A and resid   3 and name N   )
       (segid    A and resid   3 and name CA  ) (segid    A and resid   3 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid   3 and name N   ) (segid    A and resid   3 and name CA  )
       (segid    A and resid   3 and name C   ) (segid    A and resid   4 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid   3 and name C   ) (segid    A and resid   4 and name N   )
       (segid    A and resid   4 and name CA  ) (segid    A and resid   4 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid   4 and name N   ) (segid    A and resid   4 and name CA  )
       (segid    A and resid   4 and name C   ) (segid    A and resid   5 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid   4 and name C   ) (segid    A and resid   5 and name N   )
       (segid    A and resid   5 and name CA  ) (segid    A and resid   5 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid   5 and name N   ) (segid    A and resid   5 and name CA  )
       (segid    A and resid   5 and name C   ) (segid    A and resid   6 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid   5 and name C   ) (segid    A and resid   6 and name N   )
       (segid    A and resid   6 and name CA  ) (segid    A and resid   6 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid   6 and name N   ) (segid    A and resid   6 and name CA  )
       (segid    A and resid   6 and name C   ) (segid    A and resid   7 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid   6 and name C   ) (segid    A and resid   7 and name N   )
       (segid    A and resid   7 and name CA  ) (segid    A and resid   7 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid   7 and name N   ) (segid    A and resid   7 and name CA  )
       (segid    A and resid   7 and name C   ) (segid    A and resid   8 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid   7 and name C   ) (segid    A and resid   8 and name N   )
       (segid    A and resid   8 and name CA  ) (segid    A and resid   8 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid   8 and name N   ) (segid    A and resid   8 and name CA  )
       (segid    A and resid   8 and name C   ) (segid    A and resid   9 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid   8 and name C   ) (segid    A and resid   9 and name N   )
       (segid    A and resid   9 and name CA  ) (segid    A and resid   9 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid   9 and name N   ) (segid    A and resid   9 and name CA  )
       (segid    A and resid   9 and name C   ) (segid    A and resid  10 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid   9 and name C   ) (segid    A and resid  10 and name N   )
       (segid    A and resid  10 and name CA  ) (segid    A and resid  10 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  10 and name N   ) (segid    A and resid  10 and name CA  )
       (segid    A and resid  10 and name C   ) (segid    A and resid  11 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  10 and name C   ) (segid    A and resid  11 and name N   )
       (segid    A and resid  11 and name CA  ) (segid    A and resid  11 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  11 and name N   ) (segid    A and resid  11 and name CA  )
       (segid    A and resid  11 and name C   ) (segid    A and resid  12 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  11 and name C   ) (segid    A and resid  12 and name N   )
       (segid    A and resid  12 and name CA  ) (segid    A and resid  12 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  12 and name N   ) (segid    A and resid  12 and name CA  )
       (segid    A and resid  12 and name C   ) (segid    A and resid  13 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  12 and name C   ) (segid    A and resid  13 and name N   )
       (segid    A and resid  13 and name CA  ) (segid    A and resid  13 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  13 and name N   ) (segid    A and resid  13 and name CA  )
       (segid    A and resid  13 and name C   ) (segid    A and resid  14 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  13 and name C   ) (segid    A and resid  14 and name N   )
       (segid    A and resid  14 and name CA  ) (segid    A and resid  14 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  14 and name N   ) (segid    A and resid  14 and name CA  )
       (segid    A and resid  14 and name C   ) (segid    A and resid  15 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  14 and name C   ) (segid    A and resid  15 and name N   )
       (segid    A and resid  15 and name CA  ) (segid    A and resid  15 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  15 and name N   ) (segid    A and resid  15 and name CA  )
       (segid    A and resid  15 and name C   ) (segid    A and resid  16 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  15 and name C   ) (segid    A and resid  16 and name N   )
       (segid    A and resid  16 and name CA  ) (segid    A and resid  16 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  16 and name N   ) (segid    A and resid  16 and name CA  )
       (segid    A and resid  16 and name C   ) (segid    A and resid  17 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  16 and name C   ) (segid    A and resid  17 and name N   )
       (segid    A and resid  17 and name CA  ) (segid    A and resid  17 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  17 and name N   ) (segid    A and resid  17 and name CA  )
       (segid    A and resid  17 and name C   ) (segid    A and resid  18 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  17 and name C   ) (segid    A and resid  18 and name N   )
       (segid    A and resid  18 and name CA  ) (segid    A and resid  18 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  18 and name N   ) (segid    A and resid  18 and name CA  )
       (segid    A and resid  18 and name C   ) (segid    A and resid  19 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  25 and name C   ) (segid    A and resid  26 and name N   )
       (segid    A and resid  26 and name CA  ) (segid    A and resid  26 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  26 and name N   ) (segid    A and resid  26 and name CA  )
       (segid    A and resid  26 and name C   ) (segid    A and resid  27 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  26 and name C   ) (segid    A and resid  27 and name N   )
       (segid    A and resid  27 and name CA  ) (segid    A and resid  27 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  27 and name N   ) (segid    A and resid  27 and name CA  )
       (segid    A and resid  27 and name C   ) (segid    A and resid  28 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  27 and name C   ) (segid    A and resid  28 and name N   )
       (segid    A and resid  28 and name CA  ) (segid    A and resid  28 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  28 and name N   ) (segid    A and resid  28 and name CA  )
       (segid    A and resid  28 and name C   ) (segid    A and resid  29 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  28 and name C   ) (segid    A and resid  29 and name N   )
       (segid    A and resid  29 and name CA  ) (segid    A and resid  29 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  29 and name N   ) (segid    A and resid  29 and name CA  )
       (segid    A and resid  29 and name C   ) (segid    A and resid  30 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  29 and name C   ) (segid    A and resid  30 and name N   )
       (segid    A and resid  30 and name CA  ) (segid    A and resid  30 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  30 and name N   ) (segid    A and resid  30 and name CA  )
       (segid    A and resid  30 and name C   ) (segid    A and resid  31 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  30 and name C   ) (segid    A and resid  31 and name N   )
       (segid    A and resid  31 and name CA  ) (segid    A and resid  31 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  31 and name N   ) (segid    A and resid  31 and name CA  )
       (segid    A and resid  31 and name C   ) (segid    A and resid  32 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  39 and name C   ) (segid    A and resid  40 and name N   )
       (segid    A and resid  40 and name CA  ) (segid    A and resid  40 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  40 and name N   ) (segid    A and resid  40 and name CA  )
       (segid    A and resid  40 and name C   ) (segid    A and resid  41 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  40 and name C   ) (segid    A and resid  41 and name N   )
       (segid    A and resid  41 and name CA  ) (segid    A and resid  41 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  41 and name N   ) (segid    A and resid  41 and name CA  )
       (segid    A and resid  41 and name C   ) (segid    A and resid  42 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  41 and name C   ) (segid    A and resid  42 and name N   )
       (segid    A and resid  42 and name CA  ) (segid    A and resid  42 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  42 and name N   ) (segid    A and resid  42 and name CA  )
       (segid    A and resid  42 and name C   ) (segid    A and resid  43 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  42 and name C   ) (segid    A and resid  43 and name N   )
       (segid    A and resid  43 and name CA  ) (segid    A and resid  43 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  43 and name N   ) (segid    A and resid  43 and name CA  )
       (segid    A and resid  43 and name C   ) (segid    A and resid  44 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  43 and name C   ) (segid    A and resid  44 and name N   )
       (segid    A and resid  44 and name CA  ) (segid    A and resid  44 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  44 and name N   ) (segid    A and resid  44 and name CA  )
       (segid    A and resid  44 and name C   ) (segid    A and resid  45 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  44 and name C   ) (segid    A and resid  45 and name N   )
       (segid    A and resid  45 and name CA  ) (segid    A and resid  45 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  45 and name N   ) (segid    A and resid  45 and name CA  )
       (segid    A and resid  45 and name C   ) (segid    A and resid  46 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  45 and name C   ) (segid    A and resid  46 and name N   )
       (segid    A and resid  46 and name CA  ) (segid    A and resid  46 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  46 and name N   ) (segid    A and resid  46 and name CA  )
       (segid    A and resid  46 and name C   ) (segid    A and resid  47 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  46 and name C   ) (segid    A and resid  47 and name N   )
       (segid    A and resid  47 and name CA  ) (segid    A and resid  47 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  47 and name N   ) (segid    A and resid  47 and name CA  )
       (segid    A and resid  47 and name C   ) (segid    A and resid  48 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  47 and name C   ) (segid    A and resid  48 and name N   )
       (segid    A and resid  48 and name CA  ) (segid    A and resid  48 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid  48 and name N   ) (segid    A and resid  48 and name CA  )
       (segid    A and resid  48 and name C   ) (segid    A and resid  49 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid  55 and name C   ) (segid    A and resid  56 and name N   )
       (segid    A and resid  56 and name CA  ) (segid    A and resid  56 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  56 and name N   ) (segid    A and resid  56 and name CA  )
       (segid    A and resid  56 and name C   ) (segid    A and resid  57 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  56 and name C   ) (segid    A and resid  57 and name N   )
       (segid    A and resid  57 and name CA  ) (segid    A and resid  57 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  57 and name N   ) (segid    A and resid  57 and name CA  )
       (segid    A and resid  57 and name C   ) (segid    A and resid  58 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  57 and name C   ) (segid    A and resid  58 and name N   )
       (segid    A and resid  58 and name CA  ) (segid    A and resid  58 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  58 and name N   ) (segid    A and resid  58 and name CA  )
       (segid    A and resid  58 and name C   ) (segid    A and resid  59 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  58 and name C   ) (segid    A and resid  59 and name N   )
       (segid    A and resid  59 and name CA  ) (segid    A and resid  59 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  59 and name N   ) (segid    A and resid  59 and name CA  )
       (segid    A and resid  59 and name C   ) (segid    A and resid  60 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  59 and name C   ) (segid    A and resid  60 and name N   )
       (segid    A and resid  60 and name CA  ) (segid    A and resid  60 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  60 and name N   ) (segid    A and resid  60 and name CA  )
       (segid    A and resid  60 and name C   ) (segid    A and resid  61 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  60 and name C   ) (segid    A and resid  61 and name N   )
       (segid    A and resid  61 and name CA  ) (segid    A and resid  61 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  61 and name N   ) (segid    A and resid  61 and name CA  )
       (segid    A and resid  61 and name C   ) (segid    A and resid  62 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  61 and name C   ) (segid    A and resid  62 and name N   )
       (segid    A and resid  62 and name CA  ) (segid    A and resid  62 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  62 and name N   ) (segid    A and resid  62 and name CA  )
       (segid    A and resid  62 and name C   ) (segid    A and resid  63 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  69 and name C   ) (segid    A and resid  70 and name N   )
       (segid    A and resid  70 and name CA  ) (segid    A and resid  70 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  70 and name N   ) (segid    A and resid  70 and name CA  )
       (segid    A and resid  70 and name C   ) (segid    A and resid  71 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  70 and name C   ) (segid    A and resid  71 and name N   )
       (segid    A and resid  71 and name CA  ) (segid    A and resid  71 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  71 and name N   ) (segid    A and resid  71 and name CA  )
       (segid    A and resid  71 and name C   ) (segid    A and resid  72 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  71 and name C   ) (segid    A and resid  72 and name N   )
       (segid    A and resid  72 and name CA  ) (segid    A and resid  72 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  72 and name N   ) (segid    A and resid  72 and name CA  )
       (segid    A and resid  72 and name C   ) (segid    A and resid  73 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  72 and name C   ) (segid    A and resid  73 and name N   )
       (segid    A and resid  73 and name CA  ) (segid    A and resid  73 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  73 and name N   ) (segid    A and resid  73 and name CA  )
       (segid    A and resid  73 and name C   ) (segid    A and resid  74 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  73 and name C   ) (segid    A and resid  74 and name N   )
       (segid    A and resid  74 and name CA  ) (segid    A and resid  74 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  74 and name N   ) (segid    A and resid  74 and name CA  )
       (segid    A and resid  74 and name C   ) (segid    A and resid  75 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  79 and name C   ) (segid    A and resid  80 and name N   )
       (segid    A and resid  80 and name CA  ) (segid    A and resid  80 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  80 and name N   ) (segid    A and resid  80 and name CA  )
       (segid    A and resid  80 and name C   ) (segid    A and resid  81 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  80 and name C   ) (segid    A and resid  81 and name N   )
       (segid    A and resid  81 and name CA  ) (segid    A and resid  81 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  81 and name N   ) (segid    A and resid  81 and name CA  )
       (segid    A and resid  81 and name C   ) (segid    A and resid  82 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  82 and name C   ) (segid    A and resid  83 and name N   )
       (segid    A and resid  83 and name CA  ) (segid    A and resid  83 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  83 and name N   ) (segid    A and resid  83 and name CA  )
       (segid    A and resid  83 and name C   ) (segid    A and resid  84 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  83 and name C   ) (segid    A and resid  84 and name N   )
       (segid    A and resid  84 and name CA  ) (segid    A and resid  84 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  84 and name N   ) (segid    A and resid  84 and name CA  )
       (segid    A and resid  84 and name C   ) (segid    A and resid  85 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  94 and name C   ) (segid    A and resid  95 and name N   )
       (segid    A and resid  95 and name CA  ) (segid    A and resid  95 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  95 and name N   ) (segid    A and resid  95 and name CA  )
       (segid    A and resid  95 and name C   ) (segid    A and resid  96 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  95 and name C   ) (segid    A and resid  96 and name N   )
       (segid    A and resid  96 and name CA  ) (segid    A and resid  96 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  96 and name N   ) (segid    A and resid  96 and name CA  )
       (segid    A and resid  96 and name C   ) (segid    A and resid  97 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid  96 and name C   ) (segid    A and resid  97 and name N   )
       (segid    A and resid  97 and name CA  ) (segid    A and resid  97 and name C   )  1   -125.00     55.00   2 
assign (segid    A and resid  97 and name N   ) (segid    A and resid  97 and name CA  )
       (segid    A and resid  97 and name C   ) (segid    A and resid  98 and name N   )  1    120.00     60.00   2 
assign (segid    A and resid 108 and name C   ) (segid    A and resid 109 and name N   )
       (segid    A and resid 109 and name CA  ) (segid    A and resid 109 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid 109 and name N   ) (segid    A and resid 109 and name CA  )
       (segid    A and resid 109 and name C   ) (segid    A and resid 110 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid 109 and name C   ) (segid    A and resid 110 and name N   )
       (segid    A and resid 110 and name CA  ) (segid    A and resid 110 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid 110 and name N   ) (segid    A and resid 110 and name CA  )
       (segid    A and resid 110 and name C   ) (segid    A and resid 111 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid 110 and name C   ) (segid    A and resid 111 and name N   )
       (segid    A and resid 111 and name CA  ) (segid    A and resid 111 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid 111 and name N   ) (segid    A and resid 111 and name CA  )
       (segid    A and resid 111 and name C   ) (segid    A and resid 112 and name N   )  1    -35.00     40.00   2 
assign (segid    A and resid 111 and name C   ) (segid    A and resid 112 and name N   )
       (segid    A and resid 112 and name CA  ) (segid    A and resid 112 and name C   )  1    -65.00     35.00   2 
assign (segid    A and resid 112 and name N   ) (segid    A and resid 112 and name CA  )
       (segid    A and resid 112 and name C   ) (segid    A and resid 113 and name N   )  1    -35.00     40.00   2 

! hydrogen bond constraints
! created by  NOESY_Assign Version 2.1.1 Copyright(C) 2005

assign (resid 2    and name O     )(resid 63   and name N     )    2.80  0.4  0.5
assign (resid 2    and name O     )(resid 63   and name HN    )     1.8  0.3  0.5
assign (resid 4    and name O     )(resid 61   and name N     )    2.80  0.4  0.5
assign (resid 4    and name O     )(resid 61   and name HN    )     1.8  0.3  0.5
assign (resid 6    and name O     )(resid 59   and name N     )    2.80  0.4  0.5
assign (resid 6    and name O     )(resid 59   and name HN    )     1.8  0.3  0.5
assign (resid 8    and name O     )(resid 57   and name N     )    2.80  0.4  0.5
assign (resid 8    and name O     )(resid 57   and name HN    )     1.8  0.3  0.5
assign (resid 9    and name O     )(resid 13   and name N     )    2.80  0.4  0.5
assign (resid 9    and name O     )(resid 13   and name HN    )     1.8  0.3  0.5
assign (resid 10   and name O     )(resid 14   and name N     )    2.80  0.4  0.5
assign (resid 10   and name O     )(resid 14   and name HN    )     1.8  0.3  0.5
assign (resid 12   and name O     )(resid 16   and name N     )    2.80  0.4  0.5
assign (resid 12   and name O     )(resid 16   and name HN    )     1.8  0.3  0.5
assign (resid 13   and name O     )(resid 17   and name N     )    2.80  0.4  0.5
assign (resid 13   and name O     )(resid 17   and name HN    )     1.8  0.3  0.5
assign (resid 14   and name O     )(resid 18   and name N     )    2.80  0.4  0.5
assign (resid 14   and name O     )(resid 18   and name HN    )     1.8  0.3  0.5
assign (resid 20   and name O     )(resid 90   and name N     )    2.80  0.4  0.5
assign (resid 20   and name O     )(resid 90   and name HN    )     1.8  0.3  0.5
assign (resid 22   and name O     )(resid 88   and name N     )    2.80  0.4  0.5
assign (resid 22   and name O     )(resid 88   and name HN    )     1.8  0.3  0.5
assign (resid 26   and name O     )(resid 30   and name N     )    2.80  0.4  0.5
assign (resid 26   and name O     )(resid 30   and name HN    )     1.8  0.3  0.5
assign (resid 27   and name O     )(resid 31   and name N     )    2.80  0.4  0.5
assign (resid 27   and name O     )(resid 31   and name HN    )     1.8  0.3  0.5
assign (resid 28   and name O     )(resid 32   and name N     )    2.80  0.4  0.5
assign (resid 28   and name O     )(resid 32   and name HN    )     1.8  0.3  0.5
assign (resid 40   and name O     )(resid 44   and name N     )    2.80  0.4  0.5
assign (resid 40   and name O     )(resid 44   and name HN    )     1.8  0.3  0.5
assign (resid 41   and name O     )(resid 45   and name N     )    2.80  0.4  0.5
assign (resid 41   and name O     )(resid 45   and name HN    )     1.8  0.3  0.5
assign (resid 42   and name O     )(resid 46   and name N     )    2.80  0.4  0.5
assign (resid 42   and name O     )(resid 46   and name HN    )     1.8  0.3  0.5
assign (resid 43   and name O     )(resid 47   and name N     )    2.80  0.4  0.5
assign (resid 43   and name O     )(resid 47   and name HN    )     1.8  0.3  0.5
assign (resid 55   and name O     )(resid 10   and name N     )    2.80  0.4  0.5
assign (resid 55   and name O     )(resid 10   and name HN    )     1.8  0.3  0.5
assign (resid 57   and name O     )(resid 8    and name N     )    2.80  0.4  0.5
assign (resid 57   and name O     )(resid 8    and name HN    )     1.8  0.3  0.5
assign (resid 58   and name O     )(resid 97   and name N     )    2.80  0.4  0.5
assign (resid 58   and name O     )(resid 97   and name HN    )     1.8  0.3  0.5
assign (resid 59   and name O     )(resid 6    and name N     )    2.80  0.4  0.5
assign (resid 59   and name O     )(resid 6    and name HN    )     1.8  0.3  0.5
assign (resid 60   and name O     )(resid 95   and name N     )    2.80  0.4  0.5
assign (resid 60   and name O     )(resid 95   and name HN    )     1.8  0.3  0.5
assign (resid 61   and name O     )(resid 4    and name N     )    2.80  0.4  0.5
assign (resid 61   and name O     )(resid 4    and name HN    )     1.8  0.3  0.5
assign (resid 71   and name O     )(resid 83   and name N     )    2.80  0.4  0.5
assign (resid 71   and name O     )(resid 83   and name HN    )     1.8  0.3  0.5
assign (resid 73   and name O     )(resid 81   and name N     )    2.80  0.4  0.5
assign (resid 73   and name O     )(resid 81   and name HN    )     1.8  0.3  0.5
assign (resid 81   and name O     )(resid 73   and name N     )    2.80  0.4  0.5
assign (resid 81   and name O     )(resid 73   and name HN    )     1.8  0.3  0.5
assign (resid 83   and name O     )(resid 71   and name N     )    2.80  0.4  0.5
assign (resid 83   and name O     )(resid 71   and name HN    )     1.8  0.3  0.5
assign (resid 88   and name O     )(resid 22   and name N     )    2.80  0.4  0.5
assign (resid 88   and name O     )(resid 22   and name HN    )     1.8  0.3  0.5
assign (resid 89   and name O     )(resid 92   and name N     )    2.80  0.4  0.5
assign (resid 89   and name O     )(resid 92   and name HN    )     1.8  0.3  0.5
assign (resid 90   and name O     )(resid 93   and name N     )    2.80  0.4  0.5
assign (resid 90   and name O     )(resid 93   and name HN    )     1.8  0.3  0.5
assign (resid 95   and name O     )(resid 60   and name N     )    2.80  0.4  0.5
assign (resid 95   and name O     )(resid 60   and name HN    )     1.8  0.3  0.5
assign (resid 97   and name O     )(resid 58   and name N     )    2.80  0.4  0.5
assign (resid 97   and name O     )(resid 58   and name HN    )     1.8  0.3  0.5

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1  12.462  -2.457   9.481
    2   2H    MET   1          2H        MET   1  13.221  -1.244   8.586
    3   3H    MET   1          3H        MET   1  11.772  -1.911   8.034
    4    HA   MET   1           HA       MET   1  12.154  -0.289  10.486
    5   1HB   MET   1          2HB       MET   1  10.844   1.428   9.360
    6   2HB   MET   1          1HB       MET   1  12.254   1.016   8.397
    7   1HG   MET   1          2HG       MET   1   9.452   0.020   7.904
    8   2HG   MET   1          1HG       MET   1  10.245   1.325   7.027
    9   1HE   MET   1          1HE       MET   1  13.098  -0.574   5.125
   10   2HE   MET   1          2HE       MET   1  13.213   0.262   6.674
   11   3HE   MET   1          3HE       MET   1  12.285   0.973   5.353
   12    H    THR   2           H        THR   2  10.405  -2.826   9.152
   13    HA   THR   2           HA       THR   2   8.617  -4.011   9.876
   14    HB   THR   2           HB       THR   2   8.270  -1.996  12.103
   15    HG1  THR   2           HG1      THR   2   9.693  -4.471  12.175
   16   1HG2  THR   2          1HG2      THR   2   7.185  -3.889  13.263
   17   2HG2  THR   2          2HG2      THR   2   7.375  -4.872  11.808
   18   3HG2  THR   2          3HG2      THR   2   6.332  -3.450  11.782
   19    H    LEU   3           H        LEU   3   7.904  -0.550  10.169
   20    HA   LEU   3           HA       LEU   3   5.228  -0.746   9.245
   21   1HB   LEU   3          2HB       LEU   3   7.174   1.523   9.556
   22   2HB   LEU   3          1HB       LEU   3   5.661   1.782   8.710
   23    HG   LEU   3           HG       LEU   3   5.540   2.488  11.061
   24   1HD1  LEU   3          1HD1      LEU   3   3.806   0.092  10.452
   25   2HD1  LEU   3          2HD1      LEU   3   3.509   1.748   9.921
   26   3HD1  LEU   3          3HD1      LEU   3   3.463   1.351  11.639
   27   1HD2  LEU   3          1HD2      LEU   3   7.107   0.906  12.053
   28   2HD2  LEU   3          2HD2      LEU   3   6.002  -0.427  11.713
   29   3HD2  LEU   3          3HD2      LEU   3   5.543   0.828  12.864
   30    H    ILE   4           H        ILE   4   5.086  -1.883   7.348
   31    HA   ILE   4           HA       ILE   4   6.603  -0.980   5.016
   32    HB   ILE   4           HB       ILE   4   5.472  -2.874   3.840
   33   1HG1  ILE   4          2HG1      ILE   4   4.373  -3.429   6.615
   34   2HG1  ILE   4          1HG1      ILE   4   3.439  -3.068   5.167
   35   1HG2  ILE   4          1HG2      ILE   4   7.695  -3.118   4.829
   36   2HG2  ILE   4          2HG2      ILE   4   6.787  -4.625   4.938
   37   3HG2  ILE   4          3HG2      ILE   4   6.969  -3.601   6.363
   38   1HD1  ILE   4          1HD1      ILE   4   3.347  -5.425   5.697
   39   2HD1  ILE   4          2HD1      ILE   4   5.106  -5.532   5.636
   40   3HD1  ILE   4          3HD1      ILE   4   4.192  -5.173   4.171
   41    H    TYR   5           H        TYR   5   5.576  -0.280   3.065
   42    HA   TYR   5           HA       TYR   5   3.019   1.093   3.616
   43   1HB   TYR   5          2HB       TYR   5   5.296   2.153   1.939
   44   2HB   TYR   5          1HB       TYR   5   3.842   3.016   2.421
   45    HD1  TYR   5           HD2      TYR   5   3.572   3.764   4.781
   46    HD2  TYR   5           HD1      TYR   5   7.174   1.952   3.414
   47    HE1  TYR   5           HE2      TYR   5   4.754   4.626   6.759
   48    HE2  TYR   5           HE1      TYR   5   8.362   2.816   5.382
   49    HH   TYR   5           HH       TYR   5   8.183   4.547   7.023
   50    H    LYS   6           H        LYS   6   1.520   1.281   1.998
   51    HA   LYS   6           HA       LYS   6   2.210   0.257  -0.689
   52   1HB   LYS   6          2HB       LYS   6   0.724  -1.348   0.383
   53   2HB   LYS   6          1HB       LYS   6  -0.415  -0.071   0.790
   54   1HG   LYS   6          2HG       LYS   6  -0.871   0.303  -1.579
   55   2HG   LYS   6          1HG       LYS   6   0.306  -0.938  -2.014
   56   1HD   LYS   6          2HD       LYS   6  -1.042  -2.644  -0.919
   57   2HD   LYS   6          1HD       LYS   6  -2.185  -1.418  -0.365
   58   1HE   LYS   6          2HE       LYS   6  -3.045  -2.606  -2.319
   59   2HE   LYS   6          1HE       LYS   6  -2.772  -0.904  -2.683
   60   1HZ   LYS   6          1HZ       LYS   6  -1.995  -2.291  -4.479
   61   2HZ   LYS   6          2HZ       LYS   6  -0.994  -3.164  -3.437
   62   3HZ   LYS   6          3HZ       LYS   6  -0.674  -1.532  -3.744
   63    H    ILE   7           H        ILE   7   2.003   1.755  -2.242
   64    HA   ILE   7           HA       ILE   7   0.571   4.243  -1.643
   65    HB   ILE   7           HB       ILE   7   2.424   3.616  -3.955
   66   1HG1  ILE   7          2HG1      ILE   7   2.965   5.154  -1.393
   67   2HG1  ILE   7          1HG1      ILE   7   3.588   3.550  -1.767
   68   1HG2  ILE   7          1HG2      ILE   7   2.486   6.071  -4.250
   69   2HG2  ILE   7          2HG2      ILE   7   1.257   6.233  -2.995
   70   3HG2  ILE   7          3HG2      ILE   7   0.875   5.399  -4.501
   71   1HD1  ILE   7          1HD1      ILE   7   4.239   6.106  -3.223
   72   2HD1  ILE   7          2HD1      ILE   7   4.831   4.503  -3.662
   73   3HD1  ILE   7          3HD1      ILE   7   5.290   5.221  -2.118
   74    H    LEU   8           H        LEU   8  -1.322   4.756  -2.571
   75    HA   LEU   8           HA       LEU   8  -2.034   3.707  -5.204
   76   1HB   LEU   8          2HB       LEU   8  -4.159   2.831  -4.576
   77   2HB   LEU   8          1HB       LEU   8  -2.966   2.088  -3.533
   78    HG   LEU   8           HG       LEU   8  -4.753   4.387  -2.713
   79   1HD1  LEU   8          1HD1      LEU   8  -6.069   2.379  -3.130
   80   2HD1  LEU   8          2HD1      LEU   8  -5.994   2.739  -1.406
   81   3HD1  LEU   8          3HD1      LEU   8  -5.000   1.446  -2.081
   82   1HD2  LEU   8          1HD2      LEU   8  -4.031   3.831  -0.435
   83   2HD2  LEU   8          2HD2      LEU   8  -2.677   4.328  -1.446
   84   3HD2  LEU   8          3HD2      LEU   8  -2.924   2.620  -1.082
   85    H    SER   9           H        SER   9  -4.297   4.719  -5.860
   86    HA   SER   9           HA       SER   9  -4.012   7.580  -5.519
   87   1HB   SER   9          2HB       SER   9  -4.602   6.727  -7.718
   88   2HB   SER   9          1HB       SER   9  -6.041   5.942  -7.066
   89    HG   SER   9           HG       SER   9  -5.523   8.730  -7.278
   90    H    ARG  10           H        ARG  10  -5.459   9.003  -4.545
   91    HA   ARG  10           HA       ARG  10  -6.644   8.189  -2.162
   92   1HB   ARG  10          2HB       ARG  10  -5.975  10.525  -2.663
   93   2HB   ARG  10          1HB       ARG  10  -7.335  10.663  -3.769
   94   1HG   ARG  10          2HG       ARG  10  -7.961  11.709  -1.724
   95   2HG   ARG  10          1HG       ARG  10  -8.860  10.194  -1.842
   96   1HD   ARG  10          2HD       ARG  10  -6.841   9.234  -0.475
   97   2HD   ARG  10          1HD       ARG  10  -6.584  10.923  -0.041
   98    HE   ARG  10           HE       ARG  10  -9.283  10.069   0.367
   99   1HH1  ARG  10          1HH1      ARG  10  -6.137  10.249   1.762
  100   2HH1  ARG  10          2HH1      ARG  10  -6.704   9.881   3.354
  101   1HH2  ARG  10          1HH2      ARG  10  -9.999   9.639   2.412
  102   2HH2  ARG  10          2HH2      ARG  10  -8.870   9.581   3.724
  103    H    ALA  11           H        ALA  11  -8.197   8.828  -5.300
  104    HA   ALA  11           HA       ALA  11 -10.855   8.473  -4.645
  105   1HB   ALA  11          1HB       ALA  11 -11.212   7.845  -6.979
  106   2HB   ALA  11          2HB       ALA  11  -9.482   7.560  -7.175
  107   3HB   ALA  11          3HB       ALA  11 -10.076   9.189  -6.855
  108    H    GLU  12           H        GLU  12  -8.414   5.989  -5.249
  109    HA   GLU  12           HA       GLU  12 -10.213   3.765  -5.135
  110   1HB   GLU  12          2HB       GLU  12  -7.216   3.793  -4.662
  111   2HB   GLU  12          1HB       GLU  12  -8.202   2.385  -5.044
  112   1HG   GLU  12          2HG       GLU  12  -8.712   3.351  -7.244
  113   2HG   GLU  12          1HG       GLU  12  -7.701   4.744  -6.861
  114    H    TRP  13           H        TRP  13  -8.100   5.379  -2.802
  115    HA   TRP  13           HA       TRP  13  -8.378   3.514  -0.705
  116   1HB   TRP  13          2HB       TRP  13  -6.544   5.084  -0.692
  117   2HB   TRP  13          1HB       TRP  13  -7.655   6.450  -0.644
  118    HD1  TRP  13           HD1      TRP  13  -7.583   7.517   1.668
  119    HE1  TRP  13           HE1      TRP  13  -7.437   6.691   4.092
  120    HE3  TRP  13           HE3      TRP  13  -7.279   2.481   0.793
  121    HZ2  TRP  13           HZ2      TRP  13  -7.244   4.235   5.460
  122    HZ3  TRP  13           HZ3      TRP  13  -7.124   0.962   2.724
  123    HH2  TRP  13           HH2      TRP  13  -7.106   1.823   5.011
  124    H    ASP  14           H        ASP  14 -10.099   6.617  -1.254
  125    HA   ASP  14           HA       ASP  14 -11.712   6.516   1.030
  126   1HB   ASP  14          2HB       ASP  14 -12.194   7.800  -1.665
  127   2HB   ASP  14          1HB       ASP  14 -13.288   8.004  -0.301
  128    H    ALA  15           H        ALA  15 -12.264   5.118  -2.185
  129    HA   ALA  15           HA       ALA  15 -14.856   4.111  -1.751
  130   1HB   ALA  15          1HB       ALA  15 -13.802   4.234  -3.965
  131   2HB   ALA  15          2HB       ALA  15 -14.405   2.614  -3.622
  132   3HB   ALA  15          3HB       ALA  15 -12.678   2.957  -3.501
  133    H    ALA  16           H        ALA  16 -11.691   2.480  -1.369
  134    HA   ALA  16           HA       ALA  16 -12.637   0.062  -0.319
  135   1HB   ALA  16          1HB       ALA  16 -10.025   1.459   0.264
  136   2HB   ALA  16          2HB       ALA  16 -10.345   0.390  -1.102
  137   3HB   ALA  16          3HB       ALA  16 -10.368  -0.249   0.542
  138    H    LYS  17           H        LYS  17 -11.754   3.075   1.314
  139    HA   LYS  17           HA       LYS  17 -12.091   2.216   3.977
  140   1HB   LYS  17          2HB       LYS  17 -10.893   4.268   3.379
  141   2HB   LYS  17          1HB       LYS  17 -12.379   4.980   2.769
  142   1HG   LYS  17          2HG       LYS  17 -13.319   4.858   5.070
  143   2HG   LYS  17          1HG       LYS  17 -11.750   4.280   5.635
  144   1HD   LYS  17          2HD       LYS  17 -12.168   6.905   4.194
  145   2HD   LYS  17          1HD       LYS  17 -12.127   6.740   5.949
  146   1HE   LYS  17          2HE       LYS  17  -9.877   5.916   4.114
  147   2HE   LYS  17          1HE       LYS  17  -9.973   7.480   4.922
  148   1HZ   LYS  17          1HZ       LYS  17  -9.799   4.826   6.250
  149   2HZ   LYS  17          2HZ       LYS  17 -10.003   6.292   7.055
  150   3HZ   LYS  17          3HZ       LYS  17  -8.587   6.003   6.180
  151    H    ALA  18           H        ALA  18 -14.392   3.379   1.574
  152    HA   ALA  18           HA       ALA  18 -16.618   3.680   3.328
  153   1HB   ALA  18          1HB       ALA  18 -16.627   3.088   0.363
  154   2HB   ALA  18          2HB       ALA  18 -16.529   4.695   1.083
  155   3HB   ALA  18          3HB       ALA  18 -17.977   3.715   1.312
  156    H    GLN  19           H        GLN  19 -15.420   0.979   1.363
  157    HA   GLN  19           HA       GLN  19 -17.533  -0.829   2.094
  158   1HB   GLN  19          2HB       GLN  19 -14.792  -1.523   1.017
  159   2HB   GLN  19          1HB       GLN  19 -16.240  -2.518   0.948
  160   1HG   GLN  19          2HG       GLN  19 -17.271  -0.885  -0.557
  161   2HG   GLN  19          1HG       GLN  19 -15.801   0.084  -0.507
  162   1HE2  GLN  19          1HE2      GLN  19 -15.341  -0.106  -2.672
  163   2HE2  GLN  19          2HE2      GLN  19 -14.839  -1.588  -3.403
  164    H    GLY  20           H        GLY  20 -14.446   0.046   3.447
  165   1HA   GLY  20          2HA       GLY  20 -13.510  -0.591   5.494
  166   2HA   GLY  20          1HA       GLY  20 -14.738  -1.840   5.651
  167    H    ARG  21           H        ARG  21 -13.504  -2.043   2.585
  168    HA   ARG  21           HA       ARG  21 -11.328  -3.891   3.292
  169   1HB   ARG  21          2HB       ARG  21 -12.391  -5.510   1.556
  170   2HB   ARG  21          1HB       ARG  21 -13.046  -5.466   3.188
  171   1HG   ARG  21          2HG       ARG  21 -14.943  -4.248   2.520
  172   2HG   ARG  21          1HG       ARG  21 -14.220  -3.814   0.971
  173   1HD   ARG  21          2HD       ARG  21 -14.680  -6.700   1.624
  174   2HD   ARG  21          1HD       ARG  21 -16.037  -5.699   1.110
  175    HE   ARG  21           HE       ARG  21 -13.776  -5.472  -0.644
  176   1HH1  ARG  21          1HH1      ARG  21 -16.532  -7.410   0.112
  177   2HH1  ARG  21          2HH1      ARG  21 -16.687  -8.003  -1.505
  178   1HH2  ARG  21          1HH2      ARG  21 -13.986  -6.239  -2.697
  179   2HH2  ARG  21          2HH2      ARG  21 -15.248  -7.366  -3.072
  180    H    PHE  22           H        PHE  22  -9.759  -4.142   1.730
  181    HA   PHE  22           HA       PHE  22 -10.225  -2.902  -0.907
  182   1HB   PHE  22          2HB       PHE  22  -8.716  -1.464   0.411
  183   2HB   PHE  22          1HB       PHE  22  -7.641  -2.830   0.689
  184    HD1  PHE  22           HD1      PHE  22  -8.985  -0.555  -1.903
  185    HD2  PHE  22           HD2      PHE  22  -6.020  -3.461  -0.940
  186    HE1  PHE  22           HE1      PHE  22  -7.775  -0.008  -3.974
  187    HE2  PHE  22           HE2      PHE  22  -4.812  -2.916  -3.011
  188    HZ   PHE  22           HZ       PHE  22  -5.687  -1.190  -4.531
  189    H    GLU  23           H        GLU  23 -10.595  -4.737  -2.056
  190    HA   GLU  23           HA       GLU  23  -9.071  -7.132  -1.765
  191   1HB   GLU  23          2HB       GLU  23 -10.211  -7.884  -3.829
  192   2HB   GLU  23          1HB       GLU  23 -11.324  -7.284  -2.611
  193   1HG   GLU  23          2HG       GLU  23 -10.377  -5.604  -4.924
  194   2HG   GLU  23          1HG       GLU  23 -11.800  -6.638  -5.009
  195    H    GLY  24           H        GLY  24  -7.837  -8.136  -3.598
  196   1HA   GLY  24          2HA       GLY  24  -5.629  -6.511  -4.276
  197   2HA   GLY  24          1HA       GLY  24  -5.943  -8.122  -4.899
  198    H    SER  25           H        SER  25  -5.720  -4.861  -5.688
  199    HA   SER  25           HA       SER  25  -7.497  -4.690  -7.893
  200   1HB   SER  25          2HB       SER  25  -6.608  -2.660  -6.946
  201   2HB   SER  25          1HB       SER  25  -4.952  -3.173  -7.265
  202    HG   SER  25           HG       SER  25  -6.009  -1.639  -8.796
  203    H    ALA  26           H        ALA  26  -6.920  -4.583 -10.174
  204    HA   ALA  26           HA       ALA  26  -5.745  -6.871 -11.184
  205   1HB   ALA  26          1HB       ALA  26  -5.773  -5.779 -13.363
  206   2HB   ALA  26          2HB       ALA  26  -5.964  -4.206 -12.586
  207   3HB   ALA  26          3HB       ALA  26  -7.246  -5.410 -12.464
  208    H    VAL  27           H        VAL  27  -4.214  -3.746 -10.552
  209    HA   VAL  27           HA       VAL  27  -1.724  -4.252 -11.785
  210    HB   VAL  27           HB       VAL  27  -2.268  -2.508  -9.367
  211   1HG1  VAL  27          1HG1      VAL  27  -0.257  -1.272 -10.072
  212   2HG1  VAL  27          2HG1      VAL  27   0.013  -2.458 -11.350
  213   3HG1  VAL  27          3HG1      VAL  27   0.110  -2.946  -9.659
  214   1HG2  VAL  27          1HG2      VAL  27  -3.708  -1.920 -11.265
  215   2HG2  VAL  27          2HG2      VAL  27  -2.288  -1.783 -12.304
  216   3HG2  VAL  27          3HG2      VAL  27  -2.509  -0.665 -10.957
  217    H    ASP  28           H        ASP  28  -2.739  -4.674  -8.379
  218    HA   ASP  28           HA       ASP  28  -0.319  -5.783  -7.454
  219   1HB   ASP  28          2HB       ASP  28  -3.153  -6.006  -6.430
  220   2HB   ASP  28          1HB       ASP  28  -1.776  -6.712  -5.587
  221    H    LEU  29           H        LEU  29  -3.285  -7.354  -8.636
  222    HA   LEU  29           HA       LEU  29  -2.389 -10.014  -8.308
  223   1HB   LEU  29          2HB       LEU  29  -4.418  -8.897 -10.251
  224   2HB   LEU  29          1HB       LEU  29  -4.210 -10.597  -9.873
  225    HG   LEU  29           HG       LEU  29  -5.081  -8.460  -7.915
  226   1HD1  LEU  29          1HD1      LEU  29  -7.255  -9.544  -7.980
  227   2HD1  LEU  29          2HD1      LEU  29  -6.666 -10.692  -9.184
  228   3HD1  LEU  29          3HD1      LEU  29  -6.793  -8.980  -9.587
  229   1HD2  LEU  29          1HD2      LEU  29  -5.536 -10.357  -6.402
  230   2HD2  LEU  29          2HD2      LEU  29  -3.822 -10.194  -6.784
  231   3HD2  LEU  29          3HD2      LEU  29  -4.784 -11.447  -7.569
  232    H    ALA  30           H        ALA  30  -1.981  -7.706 -10.940
  233    HA   ALA  30           HA       ALA  30  -0.977  -9.468 -12.902
  234   1HB   ALA  30          1HB       ALA  30  -0.388  -6.531 -12.513
  235   2HB   ALA  30          2HB       ALA  30  -1.736  -7.210 -13.428
  236   3HB   ALA  30          3HB       ALA  30  -0.080  -7.460 -13.980
  237    H    ASP  31           H        ASP  31   0.639  -7.702 -10.292
  238    HA   ASP  31           HA       ASP  31   3.274  -8.635 -11.040
  239   1HB   ASP  31          2HB       ASP  31   2.974  -6.461  -9.927
  240   2HB   ASP  31          1HB       ASP  31   2.325  -7.273  -8.505
  241    H    GLY  32           H        GLY  32   1.062  -9.290  -8.326
  242   1HA   GLY  32          2HA       GLY  32   1.095 -11.950  -8.112
  243   2HA   GLY  32          1HA       GLY  32   2.671 -11.556  -7.443
  244    H    PHE  33           H        PHE  33  -0.777 -10.753  -7.107
  245    HA   PHE  33           HA       PHE  33  -2.112 -10.352  -5.317
  246   1HB   PHE  33          2HB       PHE  33   0.200 -11.517  -3.743
  247   2HB   PHE  33          1HB       PHE  33  -1.348 -11.073  -3.032
  248    HD1  PHE  33           HD1      PHE  33   0.345 -13.409  -5.328
  249    HD2  PHE  33           HD2      PHE  33  -3.290 -12.449  -3.320
  250    HE1  PHE  33           HE1      PHE  33  -0.559 -15.625  -5.905
  251    HE2  PHE  33           HE2      PHE  33  -4.193 -14.663  -3.893
  252    HZ   PHE  33           HZ       PHE  33  -2.829 -16.252  -5.187
  253    H    ILE  34           H        ILE  34  -1.851  -9.201  -2.892
  254    HA   ILE  34           HA       ILE  34  -1.418  -6.512  -3.600
  255    HB   ILE  34           HB       ILE  34  -1.687  -7.704  -0.832
  256   1HG1  ILE  34          2HG1      ILE  34  -3.751  -6.524  -2.721
  257   2HG1  ILE  34          1HG1      ILE  34  -3.595  -8.223  -2.289
  258   1HG2  ILE  34          1HG2      ILE  34  -1.991  -4.844  -1.767
  259   2HG2  ILE  34          2HG2      ILE  34  -0.728  -5.475  -0.709
  260   3HG2  ILE  34          3HG2      ILE  34  -2.402  -5.435  -0.157
  261   1HD1  ILE  34          1HD1      ILE  34  -4.358  -5.972  -0.441
  262   2HD1  ILE  34          2HD1      ILE  34  -4.150  -7.658   0.037
  263   3HD1  ILE  34          3HD1      ILE  34  -5.426  -7.213  -1.096
  264    H    HIS  35           H        HIS  35   0.562  -5.798  -4.132
  265    HA   HIS  35           HA       HIS  35   2.908  -6.759  -2.713
  266   1HB   HIS  35          2HB       HIS  35   4.143  -5.298  -4.396
  267   2HB   HIS  35          1HB       HIS  35   3.243  -6.663  -5.038
  268    HD1  HIS  35           HD1      HIS  35   2.569  -2.947  -4.466
  269    HD2  HIS  35           HD2      HIS  35   1.795  -5.980  -7.195
  270    HE1  HIS  35           HE1      HIS  35   1.323  -1.853  -6.348
  271    HE2  HIS  35           HE2      HIS  35   0.690  -3.745  -7.874
  272    H    LEU  36           H        LEU  36   3.215  -5.881  -0.768
  273    HA   LEU  36           HA       LEU  36   3.042  -2.988  -0.385
  274   1HB   LEU  36          2HB       LEU  36   3.941  -5.101   1.588
  275   2HB   LEU  36          1HB       LEU  36   3.449  -3.455   1.951
  276    HG   LEU  36           HG       LEU  36   1.632  -5.650   0.918
  277   1HD1  LEU  36          1HD1      LEU  36   0.598  -5.561   3.130
  278   2HD1  LEU  36          2HD1      LEU  36   1.808  -4.389   3.656
  279   3HD1  LEU  36          3HD1      LEU  36   2.294  -6.031   3.229
  280   1HD2  LEU  36          1HD2      LEU  36   0.925  -3.468   0.122
  281   2HD2  LEU  36          2HD2      LEU  36   0.997  -2.823   1.761
  282   3HD2  LEU  36          3HD2      LEU  36  -0.188  -4.066   1.351
  283    H    SER  37           H        SER  37   5.019  -1.949   0.756
  284    HA   SER  37           HA       SER  37   7.562  -3.113  -0.144
  285   1HB   SER  37          2HB       SER  37   8.257  -1.008  -1.237
  286   2HB   SER  37          1HB       SER  37   6.848  -1.715  -2.022
  287    HG   SER  37           HG       SER  37   5.709  -0.188  -0.398
  288    H    ALA  38           H        ALA  38   9.310  -2.624   1.100
  289    HA   ALA  38           HA       ALA  38   8.937  -1.424   3.654
  290   1HB   ALA  38          1HB       ALA  38  11.509  -2.094   2.213
  291   2HB   ALA  38          2HB       ALA  38  10.606  -3.173   3.277
  292   3HB   ALA  38          3HB       ALA  38  11.357  -1.716   3.929
  293    H    GLY  39           H        GLY  39  10.095   0.483   4.484
  294   1HA   GLY  39          2HA       GLY  39   9.437   2.836   3.275
  295   2HA   GLY  39          1HA       GLY  39  10.764   2.697   4.410
  296    H    GLU  40           H        GLU  40  12.657   1.324   2.979
  297    HA   GLU  40           HA       GLU  40  13.764   3.343   1.334
  298   1HB   GLU  40          2HB       GLU  40  14.585   0.432   1.560
  299   2HB   GLU  40          1HB       GLU  40  15.574   1.738   0.916
  300   1HG   GLU  40          2HG       GLU  40  15.530   2.823   3.140
  301   2HG   GLU  40          1HG       GLU  40  14.619   1.450   3.765
  302    H    GLN  41           H        GLN  41  12.201   0.259   0.576
  303    HA   GLN  41           HA       GLN  41  12.635   0.288  -2.220
  304   1HB   GLN  41          2HB       GLN  41  10.471  -1.076  -0.598
  305   2HB   GLN  41          1HB       GLN  41  10.832  -1.421  -2.285
  306   1HG   GLN  41          2HG       GLN  41  13.006  -2.267  -1.703
  307   2HG   GLN  41          1HG       GLN  41  12.791  -1.787  -0.019
  308   1HE2  GLN  41          1HE2      GLN  41  13.297  -4.431  -1.209
  309   2HE2  GLN  41          2HE2      GLN  41  12.011  -5.438  -0.644
  310    H    ALA  42           H        ALA  42   9.976   1.444  -0.206
  311    HA   ALA  42           HA       ALA  42   8.150   2.126  -2.223
  312   1HB   ALA  42          1HB       ALA  42   7.530   1.949   0.136
  313   2HB   ALA  42          2HB       ALA  42   7.070   3.519  -0.524
  314   3HB   ALA  42          3HB       ALA  42   8.496   3.378   0.506
  315    H    GLN  43           H        GLN  43  10.561   4.152  -0.546
  316    HA   GLN  43           HA       GLN  43  10.035   6.569  -1.830
  317   1HB   GLN  43          2HB       GLN  43  11.610   6.012   0.169
  318   2HB   GLN  43          1HB       GLN  43  12.836   5.747  -1.061
  319   1HG   GLN  43          2HG       GLN  43  11.295   8.319  -0.729
  320   2HG   GLN  43          1HG       GLN  43  12.870   8.008  -0.008
  321   1HE2  GLN  43          1HE2      GLN  43  12.038  10.042  -1.952
  322   2HE2  GLN  43          2HE2      GLN  43  13.056   9.826  -3.323
  323    H    GLU  44           H        GLU  44  12.420   4.063  -2.722
  324    HA   GLU  44           HA       GLU  44  13.436   5.268  -5.032
  325   1HB   GLU  44          2HB       GLU  44  14.454   3.295  -3.959
  326   2HB   GLU  44          1HB       GLU  44  13.077   2.314  -4.448
  327   1HG   GLU  44          2HG       GLU  44  13.679   2.929  -6.840
  328   2HG   GLU  44          1HG       GLU  44  15.193   3.552  -6.189
  329    H    THR  45           H        THR  45  10.905   2.749  -4.850
  330    HA   THR  45           HA       THR  45  10.258   2.741  -7.584
  331    HB   THR  45           HB       THR  45   8.385   2.083  -5.291
  332    HG1  THR  45           HG1      THR  45   9.780   0.519  -4.969
  333   1HG2  THR  45          1HG2      THR  45   7.306   0.596  -6.937
  334   2HG2  THR  45          2HG2      THR  45   8.411   1.178  -8.183
  335   3HG2  THR  45          3HG2      THR  45   7.242   2.282  -7.455
  336    H    ALA  46           H        ALA  46   9.155   4.795  -4.960
  337    HA   ALA  46           HA       ALA  46   7.019   6.081  -6.268
  338   1HB   ALA  46          1HB       ALA  46   7.419   6.268  -3.862
  339   2HB   ALA  46          2HB       ALA  46   7.315   7.858  -4.616
  340   3HB   ALA  46          3HB       ALA  46   8.887   7.194  -4.171
  341    H    ALA  47           H        ALA  47  10.494   6.876  -6.122
  342    HA   ALA  47           HA       ALA  47  10.336   9.246  -7.669
  343   1HB   ALA  47          1HB       ALA  47  12.758   9.066  -7.859
  344   2HB   ALA  47          2HB       ALA  47  12.692   7.396  -7.293
  345   3HB   ALA  47          3HB       ALA  47  12.238   8.711  -6.211
  346    H    LYS  48           H        LYS  48  10.678   5.864  -8.554
  347    HA   LYS  48           HA       LYS  48  11.371   6.373 -11.291
  348   1HB   LYS  48          2HB       LYS  48  10.572   3.873  -9.799
  349   2HB   LYS  48          1HB       LYS  48  11.021   3.890 -11.492
  350   1HG   LYS  48          2HG       LYS  48  13.242   4.687 -10.942
  351   2HG   LYS  48          1HG       LYS  48  12.804   4.779  -9.234
  352   1HD   LYS  48          2HD       LYS  48  12.497   2.374  -9.144
  353   2HD   LYS  48          1HD       LYS  48  12.797   2.242 -10.879
  354   1HE   LYS  48          2HE       LYS  48  15.081   3.038 -10.560
  355   2HE   LYS  48          1HE       LYS  48  14.781   3.232  -8.832
  356   1HZ   LYS  48          1HZ       LYS  48  15.969   1.164  -9.436
  357   2HZ   LYS  48          2HZ       LYS  48  14.591   0.639 -10.260
  358   3HZ   LYS  48          3HZ       LYS  48  14.530   0.891  -8.589
  359    H    TRP  49           H        TRP  49   8.427   5.101  -9.690
  360    HA   TRP  49           HA       TRP  49   7.068   5.197 -12.300
  361   1HB   TRP  49          2HB       TRP  49   6.460   3.532  -9.854
  362   2HB   TRP  49          1HB       TRP  49   5.525   3.506 -11.347
  363    HD1  TRP  49           HD1      TRP  49   8.662   2.113  -9.781
  364    HE1  TRP  49           HE1      TRP  49   9.818   0.517 -11.437
  365    HE3  TRP  49           HE3      TRP  49   5.923   3.166 -13.965
  366    HZ2  TRP  49           HZ2      TRP  49   9.594  -0.201 -14.159
  367    HZ3  TRP  49           HZ3      TRP  49   6.458   1.983 -16.054
  368    HH2  TRP  49           HH2      TRP  49   8.256   0.335 -16.149
  369    H    PHE  50           H        PHE  50   6.613   6.142  -8.902
  370    HA   PHE  50           HA       PHE  50   3.893   7.024  -9.436
  371   1HB   PHE  50          2HB       PHE  50   5.547   7.018  -6.905
  372   2HB   PHE  50          1HB       PHE  50   3.889   7.607  -6.992
  373    HD1  PHE  50           HD1      PHE  50   2.048   6.026  -7.572
  374    HD2  PHE  50           HD2      PHE  50   6.015   4.683  -6.784
  375    HE1  PHE  50           HE1      PHE  50   1.206   3.743  -7.210
  376    HE2  PHE  50           HE2      PHE  50   5.174   2.402  -6.427
  377    HZ   PHE  50           HZ       PHE  50   2.765   1.930  -6.638
  378    H    ARG  51           H        ARG  51   6.782   8.383 -10.030
  379    HA   ARG  51           HA       ARG  51   6.637  11.019  -9.134
  380   1HB   ARG  51          2HB       ARG  51   8.006  11.544 -11.178
  381   2HB   ARG  51          1HB       ARG  51   8.637  10.241 -10.185
  382   1HG   ARG  51          2HG       ARG  51   7.754   8.590 -11.730
  383   2HG   ARG  51          1HG       ARG  51   7.029   9.863 -12.710
  384   1HD   ARG  51          2HD       ARG  51   9.214  10.734 -13.275
  385   2HD   ARG  51          1HD       ARG  51   9.989   9.585 -12.184
  386    HE   ARG  51           HE       ARG  51   9.636   7.893 -13.728
  387   1HH1  ARG  51          1HH1      ARG  51   8.129  10.806 -14.797
  388   2HH1  ARG  51          2HH1      ARG  51   7.900  10.218 -16.406
  389   1HH2  ARG  51          1HH2      ARG  51   9.336   7.161 -15.803
  390   2HH2  ARG  51          2HH2      ARG  51   8.567   8.187 -16.966
  391    H    GLY  52           H        GLY  52   5.646  12.889  -9.886
  392   1HA   GLY  52          2HA       GLY  52   4.303  14.230 -11.240
  393   2HA   GLY  52          1HA       GLY  52   4.097  12.881 -12.342
  394    H    GLN  53           H        GLN  53   3.252  11.296  -9.776
  395    HA   GLN  53           HA       GLN  53   0.423  11.889 -10.108
  396   1HB   GLN  53          2HB       GLN  53   1.711   9.709  -8.453
  397   2HB   GLN  53          1HB       GLN  53   0.023   9.807  -8.934
  398   1HG   GLN  53          2HG       GLN  53   0.700   9.567 -11.293
  399   2HG   GLN  53          1HG       GLN  53   2.379   9.409 -10.776
  400   1HE2  GLN  53          1HE2      GLN  53   0.778   7.495 -12.241
  401   2HE2  GLN  53          2HE2      GLN  53   0.721   6.067 -11.276
  402    H    ALA  54           H        ALA  54  -0.103  13.701  -8.965
  403    HA   ALA  54           HA       ALA  54   0.734  13.934  -6.158
  404   1HB   ALA  54          1HB       ALA  54   1.160  15.842  -7.639
  405   2HB   ALA  54          2HB       ALA  54   0.065  16.265  -6.323
  406   3HB   ALA  54          3HB       ALA  54  -0.572  15.988  -7.945
  407    H    ASN  55           H        ASN  55  -1.048  11.981  -6.282
  408    HA   ASN  55           HA       ASN  55  -3.213  13.001  -4.673
  409   1HB   ASN  55          2HB       ASN  55  -5.014  11.894  -6.036
  410   2HB   ASN  55          1HB       ASN  55  -4.296  13.305  -6.800
  411   1HD2  ASN  55          1HD2      ASN  55  -3.064  13.039  -8.648
  412   2HD2  ASN  55          2HD2      ASN  55  -3.052  11.567  -9.549
  413    H    LEU  56           H        LEU  56  -1.032  11.357  -4.123
  414    HA   LEU  56           HA       LEU  56  -1.969   8.583  -4.183
  415   1HB   LEU  56          2HB       LEU  56   0.715   9.671  -3.330
  416   2HB   LEU  56          1HB       LEU  56   0.311   7.988  -3.617
  417    HG   LEU  56           HG       LEU  56   0.399  10.167  -5.714
  418   1HD1  LEU  56          1HD1      LEU  56   2.339   8.966  -6.582
  419   2HD1  LEU  56          2HD1      LEU  56   2.244   7.826  -5.239
  420   3HD1  LEU  56          3HD1      LEU  56   2.617   9.522  -4.931
  421   1HD2  LEU  56          1HD2      LEU  56  -0.135   7.208  -6.025
  422   2HD2  LEU  56          2HD2      LEU  56   0.044   8.375  -7.337
  423   3HD2  LEU  56          3HD2      LEU  56  -1.317   8.503  -6.226
  424    H    VAL  57           H        VAL  57  -1.925   7.241  -2.348
  425    HA   VAL  57           HA       VAL  57  -1.882   8.586   0.282
  426    HB   VAL  57           HB       VAL  57  -3.622   6.225  -0.500
  427   1HG1  VAL  57          1HG1      VAL  57  -4.654   6.527   1.712
  428   2HG1  VAL  57          2HG1      VAL  57  -3.488   7.798   2.081
  429   3HG1  VAL  57          3HG1      VAL  57  -2.938   6.139   1.841
  430   1HG2  VAL  57          1HG2      VAL  57  -4.387   9.103   0.021
  431   2HG2  VAL  57          2HG2      VAL  57  -5.515   7.774  -0.253
  432   3HG2  VAL  57          3HG2      VAL  57  -4.419   8.281  -1.538
  433    H    LEU  58           H        LEU  58  -0.504   7.756   1.720
  434    HA   LEU  58           HA       LEU  58   0.985   5.327   1.034
  435   1HB   LEU  58          2HB       LEU  58   2.116   7.543   1.558
  436   2HB   LEU  58          1HB       LEU  58   1.577   7.338   3.213
  437    HG   LEU  58           HG       LEU  58   2.883   5.193   3.300
  438   1HD1  LEU  58          1HD1      LEU  58   2.997   4.693   0.936
  439   2HD1  LEU  58          2HD1      LEU  58   4.623   4.849   1.597
  440   3HD1  LEU  58          3HD1      LEU  58   3.933   6.160   0.640
  441   1HD2  LEU  58          1HD2      LEU  58   5.057   6.285   3.549
  442   2HD2  LEU  58          2HD2      LEU  58   3.768   7.263   4.246
  443   3HD2  LEU  58          3HD2      LEU  58   4.455   7.697   2.680
  444    H    LEU  59           H        LEU  59  -0.079   3.549   1.799
  445    HA   LEU  59           HA       LEU  59  -1.419   3.594   4.386
  446   1HB   LEU  59          2HB       LEU  59  -1.052   1.334   2.409
  447   2HB   LEU  59          1HB       LEU  59  -2.071   1.283   3.837
  448    HG   LEU  59           HG       LEU  59  -2.475   3.039   1.409
  449   1HD1  LEU  59          1HD1      LEU  59  -4.093   0.727   2.481
  450   2HD1  LEU  59          2HD1      LEU  59  -3.060   0.694   1.051
  451   3HD1  LEU  59          3HD1      LEU  59  -4.497   1.718   1.078
  452   1HD2  LEU  59          1HD2      LEU  59  -4.547   3.766   2.490
  453   2HD2  LEU  59          2HD2      LEU  59  -3.135   4.225   3.440
  454   3HD2  LEU  59          3HD2      LEU  59  -4.121   2.849   3.936
  455    H    ALA  60           H        ALA  60  -0.284   3.294   6.202
  456    HA   ALA  60           HA       ALA  60   2.208   1.744   6.154
  457   1HB   ALA  60          1HB       ALA  60   2.654   2.743   8.336
  458   2HB   ALA  60          2HB       ALA  60   1.058   3.493   8.333
  459   3HB   ALA  60          3HB       ALA  60   2.266   3.986   7.147
  460    H    VAL  61           H        VAL  61   2.277  -0.294   6.837
  461    HA   VAL  61           HA       VAL  61   0.323  -1.236   8.854
  462    HB   VAL  61           HB       VAL  61   1.488  -2.863   6.572
  463   1HG1  VAL  61          1HG1      VAL  61  -0.037  -4.634   7.311
  464   2HG1  VAL  61          2HG1      VAL  61  -0.557  -3.631   8.665
  465   3HG1  VAL  61          3HG1      VAL  61   1.108  -4.208   8.585
  466   1HG2  VAL  61          1HG2      VAL  61  -0.164  -1.288   5.742
  467   2HG2  VAL  61          2HG2      VAL  61  -1.312  -1.795   6.981
  468   3HG2  VAL  61          3HG2      VAL  61  -0.831  -2.922   5.712
  469    H    GLU  62           H        GLU  62   1.169  -2.222  10.630
  470    HA   GLU  62           HA       GLU  62   4.029  -2.159  11.009
  471   1HB   GLU  62          2HB       GLU  62   1.802  -3.051  12.857
  472   2HB   GLU  62          1HB       GLU  62   3.487  -2.860  13.329
  473   1HG   GLU  62          2HG       GLU  62   3.395  -0.497  12.926
  474   2HG   GLU  62          1HG       GLU  62   1.775  -0.631  12.241
  475    H    ALA  63           H        ALA  63   4.248  -3.847   9.202
  476    HA   ALA  63           HA       ALA  63   4.460  -6.000   8.399
  477   1HB   ALA  63          1HB       ALA  63   6.027  -6.180  10.963
  478   2HB   ALA  63          2HB       ALA  63   6.567  -5.389   9.482
  479   3HB   ALA  63          3HB       ALA  63   6.286  -7.130   9.500
  480    H    GLU  64           H        GLU  64   4.338  -6.820  11.877
  481    HA   GLU  64           HA       GLU  64   3.360  -8.483  13.028
  482   1HB   GLU  64          2HB       GLU  64   1.441  -8.421  10.714
  483   2HB   GLU  64          1HB       GLU  64   1.310  -9.653  11.960
  484   1HG   GLU  64          2HG       GLU  64   1.213  -6.676  12.428
  485   2HG   GLU  64          1HG       GLU  64  -0.181  -7.755  12.376
  486    HA   PRO  65           HA       PRO  65   5.854 -11.837  11.651
  487   1HB   PRO  65          2HB       PRO  65   4.719 -13.434  13.842
  488   2HB   PRO  65          1HB       PRO  65   6.359 -12.815  13.639
  489   1HG   PRO  65          2HG       PRO  65   4.673 -11.824  15.498
  490   2HG   PRO  65          1HG       PRO  65   5.876 -10.812  14.676
  491   1HD   PRO  65          2HD       PRO  65   2.933 -11.066  14.140
  492   2HD   PRO  65          1HD       PRO  65   3.946  -9.609  14.200
  493    H    LEU  66           H        LEU  66   2.963 -11.769  10.566
  494    HA   LEU  66           HA       LEU  66   2.378 -14.623  10.402
  495   1HB   LEU  66          2HB       LEU  66   0.417 -13.666   8.929
  496   2HB   LEU  66          1HB       LEU  66   0.364 -13.600  10.678
  497    HG   LEU  66           HG       LEU  66   1.156 -11.225  10.562
  498   1HD1  LEU  66          1HD1      LEU  66   0.998 -10.017   8.453
  499   2HD1  LEU  66          2HD1      LEU  66   0.661 -11.525   7.600
  500   3HD1  LEU  66          3HD1      LEU  66   2.228 -11.280   8.371
  501   1HD2  LEU  66          1HD2      LEU  66  -1.417 -11.850   9.113
  502   2HD2  LEU  66          2HD2      LEU  66  -1.007 -10.310   9.872
  503   3HD2  LEU  66          3HD2      LEU  66  -1.198 -11.756  10.861
  504    H    GLY  67           H        GLY  67   4.638 -14.576   9.280
  505   1HA   GLY  67          2HA       GLY  67   4.988 -13.733   6.633
  506   2HA   GLY  67          1HA       GLY  67   5.864 -15.048   7.393
  507    H    GLU  68           H        GLU  68   2.988 -16.250   7.753
  508    HA   GLU  68           HA       GLU  68   2.930 -17.969   5.546
  509   1HB   GLU  68          2HB       GLU  68   0.616 -18.496   6.393
  510   2HB   GLU  68          1HB       GLU  68   1.899 -18.641   7.580
  511   1HG   GLU  68          2HG       GLU  68   1.268 -16.272   8.304
  512   2HG   GLU  68          1HG       GLU  68  -0.190 -16.494   7.338
  513    H    ASP  69           H        ASP  69   1.124 -14.973   6.189
  514    HA   ASP  69           HA       ASP  69   0.007 -15.082   3.463
  515   1HB   ASP  69          2HB       ASP  69  -0.849 -13.477   5.882
  516   2HB   ASP  69          1HB       ASP  69  -1.578 -13.335   4.283
  517    H    LEU  70           H        LEU  70   1.996 -13.125   5.604
  518    HA   LEU  70           HA       LEU  70   2.432 -11.192   3.420
  519   1HB   LEU  70          2HB       LEU  70   1.794 -10.244   5.596
  520   2HB   LEU  70          1HB       LEU  70   3.175 -11.022   6.347
  521    HG   LEU  70           HG       LEU  70   4.679  -9.643   4.902
  522   1HD1  LEU  70          1HD1      LEU  70   3.749  -7.692   3.757
  523   2HD1  LEU  70          2HD1      LEU  70   2.117  -8.238   4.144
  524   3HD1  LEU  70          3HD1      LEU  70   3.138  -9.198   3.073
  525   1HD2  LEU  70          1HD2      LEU  70   2.762  -8.084   6.640
  526   2HD2  LEU  70          2HD2      LEU  70   4.378  -7.571   6.154
  527   3HD2  LEU  70          3HD2      LEU  70   4.177  -8.977   7.198
  528    H    LYS  71           H        LYS  71   3.987 -11.994   2.106
  529    HA   LYS  71           HA       LYS  71   6.423 -13.120   3.358
  530   1HB   LYS  71          2HB       LYS  71   5.243 -13.690   0.629
  531   2HB   LYS  71          1HB       LYS  71   6.747 -14.367   1.242
  532   1HG   LYS  71          2HG       LYS  71   5.494 -15.464   3.053
  533   2HG   LYS  71          1HG       LYS  71   3.994 -14.817   2.386
  534   1HD   LYS  71          2HD       LYS  71   4.365 -16.059   0.314
  535   2HD   LYS  71          1HD       LYS  71   5.894 -16.678   0.946
  536   1HE   LYS  71          2HE       LYS  71   3.143 -17.206   2.078
  537   2HE   LYS  71          1HE       LYS  71   4.138 -18.347   1.171
  538   1HZ   LYS  71          1HZ       LYS  71   5.806 -18.181   2.949
  539   2HZ   LYS  71          2HZ       LYS  71   4.333 -18.791   3.503
  540   3HZ   LYS  71          3HZ       LYS  71   4.761 -17.188   3.834
  541    H    TRP  72           H        TRP  72   8.206 -11.918   3.180
  542    HA   TRP  72           HA       TRP  72   8.491  -9.752   1.336
  543   1HB   TRP  72          2HB       TRP  72  10.566 -11.215   3.002
  544   2HB   TRP  72          1HB       TRP  72  10.874  -9.735   2.097
  545    HD1  TRP  72           HD1      TRP  72   8.584 -10.946   4.993
  546    HE1  TRP  72           HE1      TRP  72   8.209  -8.964   6.588
  547    HE3  TRP  72           HE3      TRP  72  11.099  -7.333   2.392
  548    HZ2  TRP  72           HZ2      TRP  72   8.891  -6.228   6.741
  549    HZ3  TRP  72           HZ3      TRP  72  11.193  -5.054   3.335
  550    HH2  TRP  72           HH2      TRP  72  10.112  -4.516   5.461
  551    H    GLU  73           H        GLU  73   7.983 -10.738  -0.665
  552    HA   GLU  73           HA       GLU  73   9.683 -12.972  -1.522
  553   1HB   GLU  73          2HB       GLU  73   7.161 -13.159  -1.533
  554   2HB   GLU  73          1HB       GLU  73   7.154 -11.985  -2.844
  555   1HG   GLU  73          2HG       GLU  73   6.979 -14.269  -3.681
  556   2HG   GLU  73          1HG       GLU  73   8.464 -13.495  -4.233
  557    H    ALA  74           H        ALA  74  10.950 -12.928  -3.296
  558    HA   ALA  74           HA       ALA  74  11.759 -10.356  -4.284
  559   1HB   ALA  74          1HB       ALA  74  13.436 -11.588  -5.559
  560   2HB   ALA  74          2HB       ALA  74  12.646 -13.111  -5.146
  561   3HB   ALA  74          3HB       ALA  74  13.390 -12.133  -3.881
  562    H    SER  75           H        SER  75  10.105  -9.443  -5.486
  563    HA   SER  75           HA       SER  75   8.751 -10.837  -7.593
  564   1HB   SER  75          2HB       SER  75   7.629  -8.953  -6.551
  565   2HB   SER  75          1HB       SER  75   8.943  -7.867  -7.010
  566    HG   SER  75           HG       SER  75   6.859  -8.129  -8.386
  567    H    ARG  76           H        ARG  76   9.008 -10.652  -9.828
  568    HA   ARG  76           HA       ARG  76  10.160 -10.576 -11.792
  569   1HB   ARG  76          2HB       ARG  76  11.349  -8.056 -10.607
  570   2HB   ARG  76          1HB       ARG  76  11.315  -8.481 -12.313
  571   1HG   ARG  76          2HG       ARG  76   8.905  -8.312 -12.355
  572   2HG   ARG  76          1HG       ARG  76   8.865  -8.021 -10.615
  573   1HD   ARG  76          2HD       ARG  76  10.206  -5.954 -10.987
  574   2HD   ARG  76          1HD       ARG  76  10.075  -6.228 -12.725
  575    HE   ARG  76           HE       ARG  76   7.500  -6.219 -11.949
  576   1HH1  ARG  76          1HH1      ARG  76  10.101  -4.029 -11.393
  577   2HH1  ARG  76          2HH1      ARG  76   9.060  -2.665 -11.217
  578   1HH2  ARG  76          1HH2      ARG  76   6.169  -4.438 -11.741
  579   2HH2  ARG  76          2HH2      ARG  76   6.874  -2.892 -11.402
  580    H    GLY  77           H        GLY  77  11.450 -11.844  -9.355
  581   1HA   GLY  77          2HA       GLY  77  13.406 -12.917  -8.814
  582   2HA   GLY  77          1HA       GLY  77  13.894 -12.664 -10.481
  583    H    GLY  78           H        GLY  78  13.246 -10.220  -7.956
  584   1HA   GLY  78          2HA       GLY  78  16.124  -9.573  -7.886
  585   2HA   GLY  78          1HA       GLY  78  14.994  -8.320  -8.362
  586    H    ALA  79           H        ALA  79  13.842  -7.231  -6.803
  587    HA   ALA  79           HA       ALA  79  14.969  -7.332  -4.146
  588   1HB   ALA  79          1HB       ALA  79  12.828  -5.521  -5.270
  589   2HB   ALA  79          2HB       ALA  79  14.561  -5.194  -5.273
  590   3HB   ALA  79          3HB       ALA  79  13.684  -5.297  -3.746
  591    H    ARG  80           H        ARG  80  13.892  -7.721  -2.191
  592    HA   ARG  80           HA       ARG  80  11.618  -9.530  -2.409
  593   1HB   ARG  80          2HB       ARG  80  13.280  -8.732  -0.007
  594   2HB   ARG  80          1HB       ARG  80  11.952  -9.881   0.043
  595   1HG   ARG  80          2HG       ARG  80  13.756 -11.278  -0.107
  596   2HG   ARG  80          1HG       ARG  80  13.305 -11.125  -1.804
  597   1HD   ARG  80          2HD       ARG  80  15.671 -10.902  -1.696
  598   2HD   ARG  80          1HD       ARG  80  15.028  -9.283  -1.978
  599    HE   ARG  80           HE       ARG  80  15.384  -9.816   0.798
  600   1HH1  ARG  80          1HH1      ARG  80  17.094  -8.946  -2.057
  601   2HH1  ARG  80          2HH1      ARG  80  18.352  -8.142  -1.189
  602   1HH2  ARG  80          1HH2      ARG  80  17.019  -8.801   1.907
  603   2HH2  ARG  80          2HH2      ARG  80  18.308  -8.059   1.024
  604    H    PHE  81           H        PHE  81   9.829  -8.304  -2.848
  605    HA   PHE  81           HA       PHE  81   9.087  -6.140  -1.024
  606   1HB   PHE  81          2HB       PHE  81   7.687  -7.203  -3.494
  607   2HB   PHE  81          1HB       PHE  81   7.164  -5.811  -2.554
  608    HD1  PHE  81           HD1      PHE  81   8.709  -3.800  -2.420
  609    HD2  PHE  81           HD2      PHE  81   9.274  -6.973  -5.206
  610    HE1  PHE  81           HE1      PHE  81  10.116  -2.333  -3.805
  611    HE2  PHE  81           HE2      PHE  81  10.677  -5.508  -6.593
  612    HZ   PHE  81           HZ       PHE  81  11.103  -3.186  -5.893
  613    HA   PRO  82           HA       PRO  82   6.638  -8.983   1.459
  614   1HB   PRO  82          2HB       PRO  82   5.229  -7.071   2.844
  615   2HB   PRO  82          1HB       PRO  82   6.875  -7.573   3.245
  616   1HG   PRO  82          2HG       PRO  82   5.948  -5.179   1.702
  617   2HG   PRO  82          1HG       PRO  82   7.232  -5.300   2.919
  618   1HD   PRO  82          2HD       PRO  82   7.765  -5.230   0.270
  619   2HD   PRO  82          1HD       PRO  82   8.759  -6.164   1.407
  620    H    HIS  83           H        HIS  83   5.277  -9.970  -0.003
  621    HA   HIS  83           HA       HIS  83   2.954  -8.525  -1.036
  622   1HB   HIS  83          2HB       HIS  83   4.069 -11.277  -1.625
  623   2HB   HIS  83          1HB       HIS  83   2.552 -10.690  -2.297
  624    HD1  HIS  83           HD1      HIS  83   6.266 -10.012  -2.418
  625    HD2  HIS  83           HD2      HIS  83   2.798  -9.032  -4.485
  626    HE1  HIS  83           HE1      HIS  83   7.035  -8.882  -4.520
  627    HE2  HIS  83           HE2      HIS  83   4.929  -8.367  -5.791
  628    H    LEU  84           H        LEU  84   1.018  -8.635  -0.107
  629    HA   LEU  84           HA       LEU  84   0.451 -10.654   1.928
  630   1HB   LEU  84          2HB       LEU  84  -0.072  -8.264   2.347
  631   2HB   LEU  84          1HB       LEU  84  -1.195  -8.287   1.001
  632    HG   LEU  84           HG       LEU  84  -2.574  -9.963   2.207
  633   1HD1  LEU  84          1HD1      LEU  84  -2.154 -10.386   4.584
  634   2HD1  LEU  84          2HD1      LEU  84  -0.641  -9.487   4.476
  635   3HD1  LEU  84          3HD1      LEU  84  -0.840 -10.989   3.574
  636   1HD2  LEU  84          1HD2      LEU  84  -2.028  -7.415   3.739
  637   2HD2  LEU  84          2HD2      LEU  84  -3.471  -8.418   3.893
  638   3HD2  LEU  84          3HD2      LEU  84  -3.129  -7.595   2.372
  639    H    TYR  85           H        TYR  85  -0.483 -12.510   1.355
  640    HA   TYR  85           HA       TYR  85  -1.616 -12.822  -1.295
  641   1HB   TYR  85          2HB       TYR  85  -1.000 -14.790   0.914
  642   2HB   TYR  85          1HB       TYR  85  -1.728 -15.261  -0.619
  643    HD1  TYR  85           HD2      TYR  85   1.296 -13.658   0.857
  644    HD2  TYR  85           HD1      TYR  85  -0.383 -15.627  -2.524
  645    HE1  TYR  85           HE2      TYR  85   3.523 -13.781  -0.172
  646    HE2  TYR  85           HE1      TYR  85   1.844 -15.758  -3.558
  647    HH   TYR  85           HH       TYR  85   4.021 -14.530  -3.412
  648    H    ARG  86           H        ARG  86  -3.138 -11.366   0.917
  649    HA   ARG  86           HA       ARG  86  -5.701 -12.540   0.214
  650   1HB   ARG  86          2HB       ARG  86  -6.558 -12.652   2.485
  651   2HB   ARG  86          1HB       ARG  86  -5.131 -13.667   2.340
  652   1HG   ARG  86          2HG       ARG  86  -3.783 -11.997   3.471
  653   2HG   ARG  86          1HG       ARG  86  -5.165 -10.897   3.540
  654   1HD   ARG  86          2HD       ARG  86  -4.866 -12.018   5.682
  655   2HD   ARG  86          1HD       ARG  86  -6.380 -12.525   4.932
  656    HE   ARG  86           HE       ARG  86  -3.992 -14.200   4.632
  657   1HH1  ARG  86          1HH1      ARG  86  -7.175 -13.776   5.889
  658   2HH1  ARG  86          2HH1      ARG  86  -7.329 -15.442   6.325
  659   1HH2  ARG  86          1HH2      ARG  86  -4.184 -16.301   5.244
  660   2HH2  ARG  86          2HH2      ARG  86  -5.649 -16.853   5.982
  661    HA   PRO  87           HA       PRO  87  -7.179  -8.400  -0.240
  662   1HB   PRO  87          2HB       PRO  87  -9.364  -9.086   1.695
  663   2HB   PRO  87          1HB       PRO  87  -9.471  -8.343   0.091
  664   1HG   PRO  87          2HG       PRO  87 -10.088 -10.905   0.417
  665   2HG   PRO  87          1HG       PRO  87  -9.178 -10.376  -1.011
  666   1HD   PRO  87          2HD       PRO  87  -8.210 -11.804   1.434
  667   2HD   PRO  87          1HD       PRO  87  -7.689 -11.976  -0.256
  668    H    LEU  88           H        LEU  88  -6.860  -6.418   0.673
  669    HA   LEU  88           HA       LEU  88  -5.814  -6.360   3.393
  670   1HB   LEU  88          2HB       LEU  88  -4.542  -5.295   1.580
  671   2HB   LEU  88          1HB       LEU  88  -5.892  -4.227   1.251
  672    HG   LEU  88           HG       LEU  88  -5.613  -3.198   3.489
  673   1HD1  LEU  88          1HD1      LEU  88  -4.628  -5.104   4.657
  674   2HD1  LEU  88          2HD1      LEU  88  -3.615  -3.669   4.810
  675   3HD1  LEU  88          3HD1      LEU  88  -3.163  -4.953   3.687
  676   1HD2  LEU  88          1HD2      LEU  88  -4.531  -2.180   1.557
  677   2HD2  LEU  88          2HD2      LEU  88  -3.115  -3.206   1.787
  678   3HD2  LEU  88          3HD2      LEU  88  -3.531  -1.993   2.998
  679    H    LEU  89           H        LEU  89  -7.552  -6.392   4.788
  680    HA   LEU  89           HA       LEU  89  -9.882  -4.796   4.477
  681   1HB   LEU  89          2HB       LEU  89  -8.703  -6.008   6.984
  682   2HB   LEU  89          1HB       LEU  89 -10.325  -5.353   6.843
  683    HG   LEU  89           HG       LEU  89  -9.255  -7.769   5.370
  684   1HD1  LEU  89          1HD1      LEU  89 -10.836  -9.033   6.755
  685   2HD1  LEU  89          2HD1      LEU  89 -11.241  -7.558   7.634
  686   3HD1  LEU  89          3HD1      LEU  89  -9.609  -8.222   7.729
  687   1HD2  LEU  89          1HD2      LEU  89 -11.564  -8.081   4.602
  688   2HD2  LEU  89          2HD2      LEU  89 -10.885  -6.565   4.013
  689   3HD2  LEU  89          3HD2      LEU  89 -12.023  -6.555   5.360
  690    H    VAL  90           H        VAL  90 -10.305  -2.725   5.072
  691    HA   VAL  90           HA       VAL  90  -8.207  -0.908   5.519
  692    HB   VAL  90           HB       VAL  90 -11.178  -0.544   5.994
  693   1HG1  VAL  90          1HG1      VAL  90 -10.738   1.870   5.826
  694   2HG1  VAL  90          2HG1      VAL  90  -9.006   1.546   5.748
  695   3HG1  VAL  90          3HG1      VAL  90  -9.910   1.155   7.210
  696   1HG2  VAL  90          1HG2      VAL  90  -9.453   0.185   3.618
  697   2HG2  VAL  90          2HG2      VAL  90 -11.181   0.501   3.784
  698   3HG2  VAL  90          3HG2      VAL  90 -10.594  -1.159   3.689
  699    H    SER  91           H        SER  91 -10.464  -2.430   7.789
  700    HA   SER  91           HA       SER  91  -9.622  -0.989  10.090
  701   1HB   SER  91          2HB       SER  91 -10.958  -3.700   9.879
  702   2HB   SER  91          1HB       SER  91 -10.777  -2.776  11.371
  703    HG   SER  91           HG       SER  91 -12.644  -2.537   9.450
  704    H    GLU  92           H        GLU  92  -7.979  -3.307   8.294
  705    HA   GLU  92           HA       GLU  92  -6.455  -4.414  10.520
  706   1HB   GLU  92          2HB       GLU  92  -7.115  -5.740   8.465
  707   2HB   GLU  92          1HB       GLU  92  -5.970  -4.769   7.553
  708   1HG   GLU  92          2HG       GLU  92  -4.873  -6.788   8.064
  709   2HG   GLU  92          1HG       GLU  92  -4.186  -5.572   9.142
  710    H    VAL  93           H        VAL  93  -6.196  -1.899   8.134
  711    HA   VAL  93           HA       VAL  93  -3.373  -1.574   8.086
  712    HB   VAL  93           HB       VAL  93  -5.478   0.539   7.534
  713   1HG1  VAL  93          1HG1      VAL  93  -2.621   0.284   6.574
  714   2HG1  VAL  93          2HG1      VAL  93  -3.232   1.463   7.736
  715   3HG1  VAL  93          3HG1      VAL  93  -3.769   1.520   6.057
  716   1HG2  VAL  93          1HG2      VAL  93  -5.951  -1.457   6.223
  717   2HG2  VAL  93          2HG2      VAL  93  -4.283  -1.502   5.649
  718   3HG2  VAL  93          3HG2      VAL  93  -5.343  -0.171   5.181
  719    H    THR  94           H        THR  94  -2.016  -0.180   9.243
  720    HA   THR  94           HA       THR  94  -2.850   0.530  11.895
  721    HB   THR  94           HB       THR  94  -0.271   1.183  10.442
  722    HG1  THR  94           HG1      THR  94  -0.202  -0.640  12.507
  723   1HG2  THR  94          1HG2      THR  94   0.665   1.618  12.673
  724   2HG2  THR  94          2HG2      THR  94  -0.930   1.382  13.390
  725   3HG2  THR  94          3HG2      THR  94  -0.646   2.737  12.297
  726    H    ARG  95           H        ARG  95  -1.439   2.603   9.319
  727    HA   ARG  95           HA       ARG  95  -3.432   4.670   9.878
  728   1HB   ARG  95          2HB       ARG  95  -0.463   5.125  10.236
  729   2HB   ARG  95          1HB       ARG  95  -1.625   6.431  10.054
  730   1HG   ARG  95          2HG       ARG  95  -2.794   5.586  12.091
  731   2HG   ARG  95          1HG       ARG  95  -1.481   4.425  12.298
  732   1HD   ARG  95          2HD       ARG  95  -1.160   6.422  13.692
  733   2HD   ARG  95          1HD       ARG  95   0.127   6.242  12.501
  734    HE   ARG  95           HE       ARG  95  -0.945   7.999  11.205
  735   1HH1  ARG  95          1HH1      ARG  95  -1.967   7.671  14.479
  736   2HH1  ARG  95          2HH1      ARG  95  -2.527   9.301  14.582
  737   1HH2  ARG  95          1HH2      ARG  95  -1.665  10.078  11.342
  738   2HH2  ARG  95          2HH2      ARG  95  -2.351  10.662  12.819
  739    H    GLU  96           H        GLU  96  -3.468   6.393   8.295
  740    HA   GLU  96           HA       GLU  96  -2.206   5.673   5.723
  741   1HB   GLU  96          2HB       GLU  96  -3.997   6.895   4.623
  742   2HB   GLU  96          1HB       GLU  96  -4.687   5.704   5.718
  743   1HG   GLU  96          2HG       GLU  96  -5.106   7.457   7.373
  744   2HG   GLU  96          1HG       GLU  96  -4.401   8.654   6.288
  745    H    ALA  97           H        ALA  97  -1.516   7.502   4.346
  746    HA   ALA  97           HA       ALA  97  -1.246  10.115   5.592
  747   1HB   ALA  97          1HB       ALA  97   0.730   8.911   6.424
  748   2HB   ALA  97          2HB       ALA  97   1.175  10.238   5.350
  749   3HB   ALA  97          3HB       ALA  97   1.220   8.574   4.764
  750    H    ASP  98           H        ASP  98  -2.174  11.291   3.987
  751    HA   ASP  98           HA       ASP  98  -2.024  10.764   1.234
  752   1HB   ASP  98          2HB       ASP  98  -2.480  13.405   2.648
  753   2HB   ASP  98          1HB       ASP  98  -2.804  13.104   0.942
  754    H    LEU  99           H        LEU  99  -0.396  10.964  -0.174
  755    HA   LEU  99           HA       LEU  99   2.036  12.392   0.703
  756   1HB   LEU  99          2HB       LEU  99   2.036   9.857   0.539
  757   2HB   LEU  99          1HB       LEU  99   1.871  10.043  -1.192
  758    HG   LEU  99           HG       LEU  99   4.198   9.547  -0.362
  759   1HD1  LEU  99          1HD1      LEU  99   3.883  12.128  -1.882
  760   2HD1  LEU  99          2HD1      LEU  99   3.814  10.506  -2.573
  761   3HD1  LEU  99          3HD1      LEU  99   5.313  11.096  -1.856
  762   1HD2  LEU  99          1HD2      LEU  99   4.085  12.390   0.643
  763   2HD2  LEU  99          2HD2      LEU  99   5.504  11.341   0.621
  764   3HD2  LEU  99          3HD2      LEU  99   4.128  10.945   1.653
  765    H    ASP 100           H        ASP 100   2.926  13.919  -0.599
  766    HA   ASP 100           HA       ASP 100   1.787  14.284  -3.299
  767   1HB   ASP 100          2HB       ASP 100   1.045  15.908  -1.397
  768   2HB   ASP 100          1HB       ASP 100   2.645  16.617  -1.595
  769    H    LEU 101           H        LEU 101   3.295  16.208  -4.383
  770    HA   LEU 101           HA       LEU 101   5.858  14.816  -4.693
  771   1HB   LEU 101          2HB       LEU 101   4.675  16.984  -6.430
  772   2HB   LEU 101          1HB       LEU 101   6.016  15.926  -6.827
  773    HG   LEU 101           HG       LEU 101   3.140  15.050  -6.475
  774   1HD1  LEU 101          1HD1      LEU 101   3.491  16.406  -8.484
  775   2HD1  LEU 101          2HD1      LEU 101   3.146  14.724  -8.884
  776   3HD1  LEU 101          3HD1      LEU 101   4.800  15.332  -8.980
  777   1HD2  LEU 101          1HD2      LEU 101   3.898  12.896  -7.344
  778   2HD2  LEU 101          2HD2      LEU 101   4.729  13.298  -5.841
  779   3HD2  LEU 101          3HD2      LEU 101   5.560  13.485  -7.387
  780    H    ASP 102           H        ASP 102   7.827  16.110  -5.158
  781    HA   ASP 102           HA       ASP 102   7.947  18.580  -3.548
  782   1HB   ASP 102          2HB       ASP 102  10.265  18.157  -3.235
  783   2HB   ASP 102          1HB       ASP 102   9.472  16.601  -3.029
  784    H    ALA 103           H        ALA 103  10.325  19.613  -4.614
  785    HA   ALA 103           HA       ALA 103   9.430  21.219  -6.721
  786   1HB   ALA 103          1HB       ALA 103  11.207  21.886  -5.197
  787   2HB   ALA 103          2HB       ALA 103  11.741  22.004  -6.874
  788   3HB   ALA 103          3HB       ALA 103  12.269  20.651  -5.873
  789    H    ASP 104           H        ASP 104  11.094  18.120  -6.833
  790    HA   ASP 104           HA       ASP 104  11.677  18.374  -9.686
  791   1HB   ASP 104          2HB       ASP 104  12.287  16.230  -7.643
  792   2HB   ASP 104          1HB       ASP 104  12.614  16.022  -9.361
  793    H    GLY 105           H        GLY 105   9.015  17.586  -7.898
  794   1HA   GLY 105          2HA       GLY 105   6.974  16.749  -8.627
  795   2HA   GLY 105          1HA       GLY 105   7.742  16.290 -10.135
  796    H    VAL 106           H        VAL 106   9.270  15.247  -7.262
  797    HA   VAL 106           HA       VAL 106   8.475  12.469  -7.790
  798    HB   VAL 106           HB       VAL 106  10.773  13.633  -6.193
  799   1HG1  VAL 106          1HG1      VAL 106  10.093  11.573  -5.132
  800   2HG1  VAL 106          2HG1      VAL 106  11.600  11.303  -6.011
  801   3HG1  VAL 106          3HG1      VAL 106  10.071  10.741  -6.686
  802   1HG2  VAL 106          1HG2      VAL 106  11.062  13.854  -8.602
  803   2HG2  VAL 106          2HG2      VAL 106  10.738  12.133  -8.816
  804   3HG2  VAL 106          3HG2      VAL 106  12.185  12.657  -7.955
  805    HA   PRO 107           HA       PRO 107   5.920  12.262  -4.039
  806   1HB   PRO 107          2HB       PRO 107   7.052   9.485  -4.028
  807   2HB   PRO 107          1HB       PRO 107   5.376  10.016  -3.832
  808   1HG   PRO 107          2HG       PRO 107   6.180   8.969  -6.136
  809   2HG   PRO 107          1HG       PRO 107   5.080  10.362  -6.117
  810   1HD   PRO 107          2HD       PRO 107   8.011  10.267  -6.715
  811   2HD   PRO 107          1HD       PRO 107   6.740  11.273  -7.443
  812    H    GLN 108           H        GLN 108   6.953  13.465  -2.485
  813    HA   GLN 108           HA       GLN 108   9.726  12.955  -1.910
  814   1HB   GLN 108          2HB       GLN 108   8.784  15.248  -2.166
  815   2HB   GLN 108          1HB       GLN 108   7.909  15.021  -0.657
  816   1HG   GLN 108          2HG       GLN 108   9.973  16.315  -0.356
  817   2HG   GLN 108          1HG       GLN 108   9.988  14.812   0.566
  818   1HE2  GLN 108          1HE2      GLN 108  10.556  15.018  -2.897
  819   2HE2  GLN 108          2HE2      GLN 108  12.220  14.565  -2.830
  820    H    LEU 109           H        LEU 109   9.485  10.828  -0.935
  821    HA   LEU 109           HA       LEU 109   8.526  10.761   1.801
  822   1HB   LEU 109          2HB       LEU 109   9.999   8.754   0.103
  823   2HB   LEU 109          1HB       LEU 109   9.708   8.489   1.810
  824    HG   LEU 109           HG       LEU 109   7.255   8.661   1.379
  825   1HD1  LEU 109          1HD1      LEU 109   7.312  10.000  -0.644
  826   2HD1  LEU 109          2HD1      LEU 109   6.440   8.492  -0.917
  827   3HD1  LEU 109          3HD1      LEU 109   8.089   8.679  -1.520
  828   1HD2  LEU 109          1HD2      LEU 109   8.726   6.535  -0.188
  829   2HD2  LEU 109          2HD2      LEU 109   7.043   6.450   0.334
  830   3HD2  LEU 109          3HD2      LEU 109   8.335   6.485   1.533
  831    H    GLY 110           H        GLY 110  11.379  11.756   0.225
  832   1HA   GLY 110          2HA       GLY 110  13.386  11.221   2.092
  833   2HA   GLY 110          1HA       GLY 110  13.343  12.628   1.042
  834    H    ASP 111           H        ASP 111  11.110  13.959   2.015
  835    HA   ASP 111           HA       ASP 111  12.008  14.929   4.581
  836   1HB   ASP 111          2HB       ASP 111   9.829  15.757   2.678
  837   2HB   ASP 111          1HB       ASP 111   9.914  16.430   4.305
  838    H    HIS 112           H        HIS 112   9.478  12.808   3.423
  839    HA   HIS 112           HA       HIS 112   7.864  12.950   5.790
  840   1HB   HIS 112          2HB       HIS 112   6.928  12.397   3.581
  841   2HB   HIS 112          1HB       HIS 112   7.890  10.924   3.538
  842    HD1  HIS 112           HD1      HIS 112   4.982  12.470   5.378
  843    HD2  HIS 112           HD2      HIS 112   6.798   8.783   4.834
  844    HE1  HIS 112           HE1      HIS 112   3.412  10.800   6.400
  845    HE2  HIS 112           HE2      HIS 112   4.629   8.606   6.244
  846    H    LEU 113           H        LEU 113  10.678  11.178   4.889
  847    HA   LEU 113           HA       LEU 113  10.341   9.348   7.185
  848   1HB   LEU 113          2HB       LEU 113  12.108   8.987   4.755
  849   2HB   LEU 113          1HB       LEU 113  11.901   7.835   6.061
  850    HG   LEU 113           HG       LEU 113   9.786   8.664   4.060
  851   1HD1  LEU 113          1HD1      LEU 113  11.287   6.066   4.396
  852   2HD1  LEU 113          2HD1      LEU 113  11.489   7.231   3.087
  853   3HD1  LEU 113          3HD1      LEU 113   9.969   6.356   3.258
  854   1HD2  LEU 113          1HD2      LEU 113   8.751   8.197   6.204
  855   2HD2  LEU 113          2HD2      LEU 113   9.630   6.672   6.327
  856   3HD2  LEU 113          3HD2      LEU 113   8.412   6.890   5.069
  857    H    ALA 114           H        ALA 114  12.911   8.504   7.562
  858    HA   ALA 114           HA       ALA 114  13.990  10.786   8.980
  859   1HB   ALA 114          1HB       ALA 114  15.445   9.153  10.065
  860   2HB   ALA 114          2HB       ALA 114  14.891   7.905   8.948
  861   3HB   ALA 114          3HB       ALA 114  13.762   8.626  10.095
  862    H    LEU 115           H        LEU 115  14.353  10.354   5.899
  863    HA   LEU 115           HA       LEU 115  17.111   9.929   5.439
  864   1HB   LEU 115          2HB       LEU 115  14.948  11.221   3.799
  865   2HB   LEU 115          1HB       LEU 115  16.612  11.222   3.248
  866    HG   LEU 115           HG       LEU 115  16.604   8.727   3.341
  867   1HD1  LEU 115          1HD1      LEU 115  14.465   7.546   3.484
  868   2HD1  LEU 115          2HD1      LEU 115  13.653   9.061   3.876
  869   3HD1  LEU 115          3HD1      LEU 115  14.847   8.387   4.986
  870   1HD2  LEU 115          1HD2      LEU 115  15.232   8.417   1.325
  871   2HD2  LEU 115          2HD2      LEU 115  16.226   9.870   1.238
  872   3HD2  LEU 115          3HD2      LEU 115  14.502  10.001   1.586
  873    H    GLU 116           H        GLU 116  15.415  12.719   6.583
  874    HA   GLU 116           HA       GLU 116  17.314  14.718   5.955
  875   1HB   GLU 116          2HB       GLU 116  15.125  15.361   6.738
  876   2HB   GLU 116          1HB       GLU 116  15.344  14.484   8.245
  877   1HG   GLU 116          2HG       GLU 116  17.064  16.050   8.941
  878   2HG   GLU 116          1HG       GLU 116  16.943  16.899   7.403
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1   5.887  -2.835  13.786
    2   2H    MET   1          2H        MET   1   7.182  -2.417  14.783
    3   3H    MET   1          3H        MET   1   6.027  -3.531  15.318
    4    HA   MET   1           HA       MET   1   8.093  -4.604  14.653
    5   1HB   MET   1          2HB       MET   1   5.946  -5.806  14.495
    6   2HB   MET   1          1HB       MET   1   5.728  -5.209  12.857
    7   1HG   MET   1          2HG       MET   1   7.791  -6.426  12.195
    8   2HG   MET   1          1HG       MET   1   7.859  -7.107  13.822
    9   1HE   MET   1          1HE       MET   1   7.918  -9.544  12.733
   10   2HE   MET   1          2HE       MET   1   7.795  -8.862  11.111
   11   3HE   MET   1          3HE       MET   1   6.696 -10.147  11.615
   12    H    THR   2           H        THR   2   6.608  -4.419  11.463
   13    HA   THR   2           HA       THR   2   8.899  -2.938  10.375
   14    HB   THR   2           HB       THR   2   9.219  -4.615   8.568
   15    HG1  THR   2           HG1      THR   2   7.989  -6.345   8.443
   16   1HG2  THR   2          1HG2      THR   2  10.716  -4.687  10.504
   17   2HG2  THR   2          2HG2      THR   2  10.412  -6.310   9.885
   18   3HG2  THR   2          3HG2      THR   2   9.593  -5.758  11.346
   19    H    LEU   3           H        LEU   3   8.188  -1.463   8.945
   20    HA   LEU   3           HA       LEU   3   5.399  -1.486   8.165
   21   1HB   LEU   3          2HB       LEU   3   7.620   0.527   7.873
   22   2HB   LEU   3          1HB       LEU   3   6.068   0.755   7.092
   23    HG   LEU   3           HG       LEU   3   6.202   2.024   9.175
   24   1HD1  LEU   3          1HD1      LEU   3   4.268  -0.286   9.326
   25   2HD1  LEU   3          2HD1      LEU   3   4.021   1.237   8.471
   26   3HD1  LEU   3          3HD1      LEU   3   4.137   1.222  10.230
   27   1HD2  LEU   3          1HD2      LEU   3   7.771   0.598  10.402
   28   2HD2  LEU   3          2HD2      LEU   3   6.528  -0.645  10.554
   29   3HD2  LEU   3          3HD2      LEU   3   6.316   0.916  11.347
   30    H    ILE   4           H        ILE   4   4.676  -2.350   6.347
   31    HA   ILE   4           HA       ILE   4   6.368  -2.343   3.931
   32    HB   ILE   4           HB       ILE   4   4.769  -4.008   3.009
   33   1HG1  ILE   4          2HG1      ILE   4   3.575  -3.885   5.797
   34   2HG1  ILE   4          1HG1      ILE   4   2.773  -3.468   4.287
   35   1HG2  ILE   4          1HG2      ILE   4   6.839  -4.759   4.058
   36   2HG2  ILE   4          2HG2      ILE   4   5.540  -5.912   4.364
   37   3HG2  ILE   4          3HG2      ILE   4   6.045  -4.798   5.634
   38   1HD1  ILE   4          1HD1      ILE   4   2.956  -5.829   3.592
   39   2HD1  ILE   4          2HD1      ILE   4   1.996  -5.597   5.051
   40   3HD1  ILE   4          3HD1      ILE   4   3.646  -6.208   5.171
   41    H    TYR   5           H        TYR   5   5.473  -1.493   1.957
   42    HA   TYR   5           HA       TYR   5   3.415   0.552   2.541
   43   1HB   TYR   5          2HB       TYR   5   5.850   0.932   0.793
   44   2HB   TYR   5          1HB       TYR   5   4.704   2.164   1.305
   45    HD1  TYR   5           HD1      TYR   5   4.706   2.959   3.659
   46    HD2  TYR   5           HD2      TYR   5   7.616   0.197   2.238
   47    HE1  TYR   5           HE1      TYR   5   6.113   3.441   5.616
   48    HE2  TYR   5           HE2      TYR   5   9.028   0.671   4.192
   49    HH   TYR   5           HH       TYR   5   7.910   2.334   6.916
   50    H    LYS   6           H        LYS   6   1.930   1.081   1.054
   51    HA   LYS   6           HA       LYS   6   2.300   0.431  -1.764
   52   1HB   LYS   6          2HB       LYS   6   1.116  -1.545  -0.996
   53   2HB   LYS   6          1HB       LYS   6  -0.083  -0.559  -0.171
   54   1HG   LYS   6          2HG       LYS   6  -0.996   0.208  -2.240
   55   2HG   LYS   6          1HG       LYS   6   0.333  -0.501  -3.157
   56   1HD   LYS   6          2HD       LYS   6  -0.412  -2.732  -2.612
   57   2HD   LYS   6          1HD       LYS   6  -1.647  -2.100  -1.523
   58   1HE   LYS   6          2HE       LYS   6  -2.975  -1.320  -3.284
   59   2HE   LYS   6          1HE       LYS   6  -1.641  -1.331  -4.427
   60   1HZ   LYS   6          1HZ       LYS   6  -1.673  -3.758  -4.374
   61   2HZ   LYS   6          2HZ       LYS   6  -3.161  -3.135  -4.876
   62   3HZ   LYS   6          3HZ       LYS   6  -2.982  -3.726  -3.304
   63    H    ILE   7           H        ILE   7   1.839   2.252  -2.876
   64    HA   ILE   7           HA       ILE   7   0.292   4.366  -1.574
   65    HB   ILE   7           HB       ILE   7   1.910   4.450  -4.133
   66   1HG1  ILE   7          2HG1      ILE   7   2.565   5.447  -1.342
   67   2HG1  ILE   7          1HG1      ILE   7   3.304   4.062  -2.140
   68   1HG2  ILE   7          1HG2      ILE   7   1.721   6.901  -3.926
   69   2HG2  ILE   7          2HG2      ILE   7   0.638   6.691  -2.550
   70   3HG2  ILE   7          3HG2      ILE   7   0.149   6.132  -4.150
   71   1HD1  ILE   7          1HD1      ILE   7   4.782   5.960  -2.219
   72   2HD1  ILE   7          2HD1      ILE   7   3.532   6.946  -2.976
   73   3HD1  ILE   7          3HD1      ILE   7   4.223   5.577  -3.847
   74    H    LEU   8           H        LEU   8  -1.717   4.936  -2.138
   75    HA   LEU   8           HA       LEU   8  -2.860   3.894  -4.662
   76   1HB   LEU   8          2HB       LEU   8  -4.114   4.247  -1.941
   77   2HB   LEU   8          1HB       LEU   8  -5.089   4.135  -3.393
   78    HG   LEU   8           HG       LEU   8  -5.063   1.986  -2.376
   79   1HD1  LEU   8          1HD1      LEU   8  -3.162   1.997  -4.714
   80   2HD1  LEU   8          2HD1      LEU   8  -4.925   2.028  -4.802
   81   3HD1  LEU   8          3HD1      LEU   8  -4.099   0.616  -4.140
   82   1HD2  LEU   8          1HD2      LEU   8  -3.032   0.749  -1.872
   83   2HD2  LEU   8          2HD2      LEU   8  -3.061   2.273  -0.984
   84   3HD2  LEU   8          3HD2      LEU   8  -2.046   2.107  -2.416
   85    H    SER   9           H        SER   9  -4.493   5.217  -5.702
   86    HA   SER   9           HA       SER   9  -4.323   8.076  -5.176
   87   1HB   SER   9          2HB       SER   9  -5.817   8.365  -7.056
   88   2HB   SER   9          1HB       SER   9  -4.631   7.144  -7.513
   89    HG   SER   9           HG       SER   9  -6.158   5.551  -7.170
   90    H    ARG  10           H        ARG  10  -5.984   9.335  -4.248
   91    HA   ARG  10           HA       ARG  10  -7.285   8.207  -2.085
   92   1HB   ARG  10          2HB       ARG  10  -6.853  10.634  -2.356
   93   2HB   ARG  10          1HB       ARG  10  -8.159  10.714  -3.531
   94   1HG   ARG  10          2HG       ARG  10  -8.949  11.496  -1.391
   95   2HG   ARG  10          1HG       ARG  10  -9.746   9.974  -1.791
   96   1HD   ARG  10          2HD       ARG  10  -8.071   8.799  -0.350
   97   2HD   ARG  10          1HD       ARG  10  -7.451  10.379   0.131
   98    HE   ARG  10           HE       ARG  10 -10.286   9.818   0.563
   99   1HH1  ARG  10          1HH1      ARG  10  -7.134  10.263   1.901
  100   2HH1  ARG  10          2HH1      ARG  10  -7.741  10.432   3.510
  101   1HH2  ARG  10          1HH2      ARG  10 -11.034  10.026   2.629
  102   2HH2  ARG  10          2HH2      ARG  10  -9.915  10.311   3.924
  103    H    ALA  11           H        ALA  11  -8.575   8.709  -5.349
  104    HA   ALA  11           HA       ALA  11 -11.262   8.173  -4.950
  105   1HB   ALA  11          1HB       ALA  11  -9.585   7.337  -7.317
  106   2HB   ALA  11          2HB       ALA  11 -10.316   8.924  -7.078
  107   3HB   ALA  11          3HB       ALA  11 -11.341   7.507  -7.294
  108    H    GLU  12           H        GLU  12  -8.630   5.814  -5.398
  109    HA   GLU  12           HA       GLU  12 -10.349   3.517  -5.399
  110   1HB   GLU  12          2HB       GLU  12  -7.361   3.735  -4.952
  111   2HB   GLU  12          1HB       GLU  12  -8.234   2.234  -5.232
  112   1HG   GLU  12          2HG       GLU  12  -8.820   2.944  -7.467
  113   2HG   GLU  12          1HG       GLU  12  -8.087   4.524  -7.191
  114    H    TRP  13           H        TRP  13  -8.047   4.824  -3.013
  115    HA   TRP  13           HA       TRP  13  -8.558   2.814  -1.079
  116   1HB   TRP  13          2HB       TRP  13  -6.433   3.829  -1.030
  117   2HB   TRP  13          1HB       TRP  13  -7.105   5.451  -0.998
  118    HD1  TRP  13           HD1      TRP  13  -6.958   6.557   1.311
  119    HE1  TRP  13           HE1      TRP  13  -6.806   5.741   3.749
  120    HE3  TRP  13           HE3      TRP  13  -7.353   1.519   0.507
  121    HZ2  TRP  13           HZ2      TRP  13  -6.871   3.293   5.144
  122    HZ3  TRP  13           HZ3      TRP  13  -7.309   0.006   2.451
  123    HH2  TRP  13           HH2      TRP  13  -7.072   0.877   4.724
  124    H    ASP  14           H        ASP  14  -9.971   6.026  -1.555
  125    HA   ASP  14           HA       ASP  14 -11.290   6.224   0.948
  126   1HB   ASP  14          2HB       ASP  14 -10.972   8.008  -0.924
  127   2HB   ASP  14          1HB       ASP  14 -12.442   7.335  -1.608
  128    H    ALA  15           H        ALA  15 -12.294   4.942  -2.191
  129    HA   ALA  15           HA       ALA  15 -14.872   4.059  -1.498
  130   1HB   ALA  15          1HB       ALA  15 -14.073   4.283  -3.798
  131   2HB   ALA  15          2HB       ALA  15 -14.701   2.661  -3.497
  132   3HB   ALA  15          3HB       ALA  15 -12.959   2.939  -3.550
  133    H    ALA  16           H        ALA  16 -11.698   2.517  -1.222
  134    HA   ALA  16           HA       ALA  16 -12.445  -0.033  -0.368
  135   1HB   ALA  16          1HB       ALA  16 -10.075   1.589   0.578
  136   2HB   ALA  16          2HB       ALA  16 -10.132   0.607  -0.885
  137   3HB   ALA  16          3HB       ALA  16 -10.254  -0.162   0.697
  138    H    LYS  17           H        LYS  17 -11.938   2.917   1.578
  139    HA   LYS  17           HA       LYS  17 -12.582   1.870   4.098
  140   1HB   LYS  17          2HB       LYS  17 -13.073   4.649   3.000
  141   2HB   LYS  17          1HB       LYS  17 -13.218   4.215   4.697
  142   1HG   LYS  17          2HG       LYS  17 -10.847   3.676   4.786
  143   2HG   LYS  17          1HG       LYS  17 -10.685   4.036   3.064
  144   1HD   LYS  17          2HD       LYS  17 -11.321   6.358   3.471
  145   2HD   LYS  17          1HD       LYS  17 -11.556   6.012   5.185
  146   1HE   LYS  17          2HE       LYS  17  -8.929   5.726   3.718
  147   2HE   LYS  17          1HE       LYS  17  -9.392   7.131   4.676
  148   1HZ   LYS  17          1HZ       LYS  17  -9.535   5.712   6.623
  149   2HZ   LYS  17          2HZ       LYS  17  -7.996   5.619   5.935
  150   3HZ   LYS  17          3HZ       LYS  17  -9.101   4.361   5.707
  151    H    ALA  18           H        ALA  18 -14.683   3.126   1.532
  152    HA   ALA  18           HA       ALA  18 -17.126   3.016   2.950
  153   1HB   ALA  18          1HB       ALA  18 -18.199   3.146   0.769
  154   2HB   ALA  18          2HB       ALA  18 -16.680   2.725  -0.023
  155   3HB   ALA  18          3HB       ALA  18 -16.829   4.254   0.844
  156    H    GLN  19           H        GLN  19 -15.286   0.566   1.259
  157    HA   GLN  19           HA       GLN  19 -17.393  -1.438   1.457
  158   1HB   GLN  19          2HB       GLN  19 -14.517  -1.691   0.546
  159   2HB   GLN  19          1HB       GLN  19 -15.753  -2.934   0.397
  160   1HG   GLN  19          2HG       GLN  19 -17.021  -1.502  -1.111
  161   2HG   GLN  19          1HG       GLN  19 -15.802  -0.238  -0.950
  162   1HE2  GLN  19          1HE2      GLN  19 -15.321  -0.268  -3.162
  163   2HE2  GLN  19          2HE2      GLN  19 -14.454  -1.570  -3.893
  164    H    GLY  20           H        GLY  20 -14.605  -0.420   3.252
  165   1HA   GLY  20          2HA       GLY  20 -13.844  -1.181   5.334
  166   2HA   GLY  20          1HA       GLY  20 -14.906  -2.576   5.196
  167    H    ARG  21           H        ARG  21 -13.454  -2.448   2.299
  168    HA   ARG  21           HA       ARG  21 -10.971  -3.815   3.033
  169   1HB   ARG  21          2HB       ARG  21 -12.748  -5.544   2.921
  170   2HB   ARG  21          1HB       ARG  21 -13.102  -5.050   1.271
  171   1HG   ARG  21          2HG       ARG  21 -10.731  -5.652   0.685
  172   2HG   ARG  21          1HG       ARG  21 -10.589  -6.352   2.300
  173   1HD   ARG  21          2HD       ARG  21 -11.178  -8.187   1.009
  174   2HD   ARG  21          1HD       ARG  21 -12.731  -7.659   1.657
  175    HE   ARG  21           HE       ARG  21 -11.998  -6.620  -0.962
  176   1HH1  ARG  21          1HH1      ARG  21 -13.818  -8.915   0.848
  177   2HH1  ARG  21          2HH1      ARG  21 -14.809  -9.347  -0.499
  178   1HH2  ARG  21          1HH2      ARG  21 -13.267  -7.178  -2.668
  179   2HH2  ARG  21          2HH2      ARG  21 -14.506  -8.371  -2.471
  180    H    PHE  22           H        PHE  22  -9.357  -3.523   1.520
  181    HA   PHE  22           HA       PHE  22 -10.091  -2.252  -1.028
  182   1HB   PHE  22          2HB       PHE  22  -8.363  -1.088   0.337
  183   2HB   PHE  22          1HB       PHE  22  -7.332  -2.512   0.209
  184    HD1  PHE  22           HD2      PHE  22  -9.376  -0.454  -2.151
  185    HD2  PHE  22           HD1      PHE  22  -5.591  -2.256  -1.339
  186    HE1  PHE  22           HE2      PHE  22  -8.518   0.381  -4.297
  187    HE2  PHE  22           HE1      PHE  22  -4.743  -1.423  -3.486
  188    HZ   PHE  22           HZ       PHE  22  -6.205  -0.105  -4.967
  189    H    GLU  23           H        GLU  23  -9.634  -3.188  -2.956
  190    HA   GLU  23           HA       GLU  23  -9.126  -6.001  -3.089
  191   1HB   GLU  23          2HB       GLU  23  -9.096  -3.974  -5.341
  192   2HB   GLU  23          1HB       GLU  23  -9.313  -5.711  -5.493
  193   1HG   GLU  23          2HG       GLU  23 -11.228  -3.828  -4.125
  194   2HG   GLU  23          1HG       GLU  23 -11.407  -4.461  -5.759
  195    H    GLY  24           H        GLY  24  -7.451  -6.356  -5.251
  196   1HA   GLY  24          2HA       GLY  24  -4.827  -5.636  -4.215
  197   2HA   GLY  24          1HA       GLY  24  -5.157  -6.657  -5.610
  198    H    SER  25           H        SER  25  -5.701  -5.676  -7.589
  199    HA   SER  25           HA       SER  25  -6.013  -3.106  -8.379
  200   1HB   SER  25          2HB       SER  25  -3.909  -2.422  -7.346
  201   2HB   SER  25          1HB       SER  25  -3.044  -3.725  -8.160
  202    HG   SER  25           HG       SER  25  -3.659  -1.245  -9.058
  203    H    ALA  26           H        ALA  26  -5.572  -2.809 -10.745
  204    HA   ALA  26           HA       ALA  26  -6.023  -5.034 -12.337
  205   1HB   ALA  26          1HB       ALA  26  -5.285  -3.666 -14.238
  206   2HB   ALA  26          2HB       ALA  26  -4.559  -2.506 -13.124
  207   3HB   ALA  26          3HB       ALA  26  -6.308  -2.739 -13.142
  208    H    VAL  27           H        VAL  27  -2.962  -3.653 -11.263
  209    HA   VAL  27           HA       VAL  27  -1.282  -5.411 -12.773
  210    HB   VAL  27           HB       VAL  27  -0.610  -3.822 -10.278
  211   1HG1  VAL  27          1HG1      VAL  27   1.718  -4.010 -11.033
  212   2HG1  VAL  27          2HG1      VAL  27   1.202  -5.026 -12.381
  213   3HG1  VAL  27          3HG1      VAL  27   1.014  -5.597 -10.723
  214   1HG2  VAL  27          1HG2      VAL  27  -0.277  -3.077 -13.192
  215   2HG2  VAL  27          2HG2      VAL  27   0.272  -2.125 -11.812
  216   3HG2  VAL  27          3HG2      VAL  27  -1.453  -2.383 -12.075
  217    H    ASP  28           H        ASP  28  -2.101  -5.307  -9.268
  218    HA   ASP  28           HA       ASP  28  -0.758  -7.583  -8.451
  219   1HB   ASP  28          2HB       ASP  28  -3.364  -6.430  -7.434
  220   2HB   ASP  28          1HB       ASP  28  -2.501  -7.732  -6.621
  221    H    LEU  29           H        LEU  29  -4.095  -7.405  -9.712
  222    HA   LEU  29           HA       LEU  29  -4.501 -10.230  -9.524
  223   1HB   LEU  29          2HB       LEU  29  -6.038  -8.010 -10.837
  224   2HB   LEU  29          1HB       LEU  29  -6.481  -9.686 -11.099
  225    HG   LEU  29           HG       LEU  29  -7.881  -8.793  -9.360
  226   1HD1  LEU  29          1HD1      LEU  29  -7.151 -11.119  -9.099
  227   2HD1  LEU  29          2HD1      LEU  29  -7.429 -10.342  -7.543
  228   3HD1  LEU  29          3HD1      LEU  29  -5.781 -10.581  -8.125
  229   1HD2  LEU  29          1HD2      LEU  29  -6.470  -6.937  -8.628
  230   2HD2  LEU  29          2HD2      LEU  29  -5.352  -8.072  -7.872
  231   3HD2  LEU  29          3HD2      LEU  29  -6.999  -7.914  -7.260
  232    H    ALA  30           H        ALA  30  -3.193  -8.129 -12.018
  233    HA   ALA  30           HA       ALA  30  -3.199 -10.013 -14.129
  234   1HB   ALA  30          1HB       ALA  30  -2.712  -7.626 -14.460
  235   2HB   ALA  30          2HB       ALA  30  -1.452  -8.657 -15.137
  236   3HB   ALA  30          3HB       ALA  30  -1.184  -7.828 -13.603
  237    H    ASP  31           H        ASP  31  -0.878  -9.404 -11.503
  238    HA   ASP  31           HA       ASP  31   0.878 -11.559 -12.146
  239   1HB   ASP  31          2HB       ASP  31   0.323 -10.144  -9.523
  240   2HB   ASP  31          1HB       ASP  31   1.586 -11.350  -9.729
  241    H    GLY  32           H        GLY  32  -2.014 -11.268 -10.150
  242   1HA   GLY  32          2HA       GLY  32  -3.518 -13.215 -10.088
  243   2HA   GLY  32          1HA       GLY  32  -2.094 -14.219  -9.859
  244    H    PHE  33           H        PHE  33  -1.461 -11.553  -8.099
  245    HA   PHE  33           HA       PHE  33  -3.050 -11.961  -5.762
  246   1HB   PHE  33          2HB       PHE  33  -1.197 -12.819  -4.302
  247   2HB   PHE  33          1HB       PHE  33  -1.752 -13.985  -5.498
  248    HD1  PHE  33           HD1      PHE  33   1.015 -11.790  -4.490
  249    HD2  PHE  33           HD2      PHE  33  -0.323 -14.677  -7.326
  250    HE1  PHE  33           HE1      PHE  33   3.319 -12.051  -5.311
  251    HE2  PHE  33           HE2      PHE  33   1.981 -14.943  -8.143
  252    HZ   PHE  33           HZ       PHE  33   3.806 -13.627  -7.138
  253    H    ILE  34           H        ILE  34  -2.234 -10.632  -3.896
  254    HA   ILE  34           HA       ILE  34  -1.408  -8.067  -4.866
  255    HB   ILE  34           HB       ILE  34  -1.776  -9.002  -2.005
  256   1HG1  ILE  34          2HG1      ILE  34  -3.664  -7.542  -3.880
  257   2HG1  ILE  34          1HG1      ILE  34  -3.833  -9.209  -3.339
  258   1HG2  ILE  34          1HG2      ILE  34  -1.600  -6.198  -3.129
  259   2HG2  ILE  34          2HG2      ILE  34  -0.374  -6.998  -2.145
  260   3HG2  ILE  34          3HG2      ILE  34  -1.949  -6.617  -1.451
  261   1HD1  ILE  34          1HD1      ILE  34  -5.342  -7.762  -2.135
  262   2HD1  ILE  34          2HD1      ILE  34  -3.997  -6.748  -1.612
  263   3HD1  ILE  34          3HD1      ILE  34  -4.123  -8.412  -1.039
  264    H    HIS  35           H        HIS  35   0.581  -7.223  -4.968
  265    HA   HIS  35           HA       HIS  35   2.738  -8.456  -3.375
  266   1HB   HIS  35          2HB       HIS  35   4.260  -7.716  -5.317
  267   2HB   HIS  35          1HB       HIS  35   3.253  -9.138  -5.555
  268    HD1  HIS  35           HD1      HIS  35   3.228  -5.437  -6.414
  269    HD2  HIS  35           HD2      HIS  35   1.682  -9.046  -7.769
  270    HE1  HIS  35           HE1      HIS  35   2.117  -4.912  -8.604
  271    HE2  HIS  35           HE2      HIS  35   1.376  -7.146  -9.495
  272    H    LEU  36           H        LEU  36   3.176  -7.078  -1.800
  273    HA   LEU  36           HA       LEU  36   2.891  -4.206  -2.158
  274   1HB   LEU  36          2HB       LEU  36   3.728  -5.794   0.279
  275   2HB   LEU  36          1HB       LEU  36   3.315  -4.089   0.252
  276    HG   LEU  36           HG       LEU  36   1.393  -6.333  -0.399
  277   1HD1  LEU  36          1HD1      LEU  36   0.346  -5.813   1.747
  278   2HD1  LEU  36          2HD1      LEU  36   1.621  -4.645   2.094
  279   3HD1  LEU  36          3HD1      LEU  36   2.009  -6.361   1.960
  280   1HD2  LEU  36          1HD2      LEU  36   0.848  -4.269  -1.565
  281   2HD2  LEU  36          2HD2      LEU  36   0.946  -3.368  -0.051
  282   3HD2  LEU  36          3HD2      LEU  36  -0.318  -4.578  -0.277
  283    H    SER  37           H        SER  37   4.731  -2.886  -0.925
  284    HA   SER  37           HA       SER  37   7.340  -3.848  -1.927
  285   1HB   SER  37          2HB       SER  37   7.857  -1.551  -2.701
  286   2HB   SER  37          1HB       SER  37   6.466  -2.234  -3.541
  287    HG   SER  37           HG       SER  37   5.365  -1.040  -1.576
  288    H    ALA  38           H        ALA  38   9.208  -3.019  -0.890
  289    HA   ALA  38           HA       ALA  38   8.755  -2.128   1.881
  290   1HB   ALA  38          1HB       ALA  38  11.254  -3.238   0.589
  291   2HB   ALA  38          2HB       ALA  38  10.115  -4.142   1.587
  292   3HB   ALA  38          3HB       ALA  38  11.066  -2.836   2.295
  293    H    GLY  39           H        GLY  39  11.086  -0.852   2.513
  294   1HA   GLY  39          2HA       GLY  39  10.533   1.775   1.977
  295   2HA   GLY  39          1HA       GLY  39  12.117   1.203   2.456
  296    H    GLU  40           H        GLU  40  13.379   0.188   0.473
  297    HA   GLU  40           HA       GLU  40  13.994   2.327  -1.242
  298   1HB   GLU  40          2HB       GLU  40  14.642  -0.607  -1.624
  299   2HB   GLU  40          1HB       GLU  40  15.426   0.731  -2.451
  300   1HG   GLU  40          2HG       GLU  40  16.298   1.549  -0.319
  301   2HG   GLU  40          1HG       GLU  40  15.506   0.216   0.521
  302    H    GLN  41           H        GLN  41  12.383  -0.739  -2.027
  303    HA   GLN  41           HA       GLN  41  11.934  -0.175  -4.744
  304   1HB   GLN  41          2HB       GLN  41  10.076  -2.018  -4.423
  305   2HB   GLN  41          1HB       GLN  41  11.779  -2.434  -4.362
  306   1HG   GLN  41          2HG       GLN  41  10.298  -1.803  -1.842
  307   2HG   GLN  41          1HG       GLN  41  10.119  -3.382  -2.602
  308   1HE2  GLN  41          1HE2      GLN  41  11.876  -4.789  -2.629
  309   2HE2  GLN  41          2HE2      GLN  41  13.262  -4.547  -1.631
  310    H    ALA  42           H        ALA  42   9.945   0.505  -1.908
  311    HA   ALA  42           HA       ALA  42   7.623   1.313  -3.364
  312   1HB   ALA  42          1HB       ALA  42   6.856   2.282  -1.254
  313   2HB   ALA  42          2HB       ALA  42   8.462   2.058  -0.559
  314   3HB   ALA  42          3HB       ALA  42   7.493   0.655  -1.009
  315    H    GLN  43           H        GLN  43  10.326   3.102  -1.886
  316    HA   GLN  43           HA       GLN  43   9.431   5.687  -2.534
  317   1HB   GLN  43          2HB       GLN  43  11.430   4.794  -1.017
  318   2HB   GLN  43          1HB       GLN  43  12.370   5.102  -2.469
  319   1HG   GLN  43          2HG       GLN  43  10.622   7.162  -1.131
  320   2HG   GLN  43          1HG       GLN  43  12.339   6.965  -0.799
  321   1HE2  GLN  43          1HE2      GLN  43  10.761   9.194  -1.962
  322   2HE2  GLN  43          2HE2      GLN  43  11.541   9.563  -3.452
  323    H    GLU  44           H        GLU  44  11.524   3.429  -4.338
  324    HA   GLU  44           HA       GLU  44  12.033   5.103  -6.547
  325   1HB   GLU  44          2HB       GLU  44  13.234   2.958  -6.125
  326   2HB   GLU  44          1HB       GLU  44  11.774   2.081  -6.576
  327   1HG   GLU  44          2HG       GLU  44  11.894   3.225  -8.813
  328   2HG   GLU  44          1HG       GLU  44  13.473   3.842  -8.335
  329    H    THR  45           H        THR  45   9.557   2.542  -6.177
  330    HA   THR  45           HA       THR  45   8.156   2.909  -8.543
  331    HB   THR  45           HB       THR  45   7.060   2.126  -5.828
  332    HG1  THR  45           HG1      THR  45   8.278   0.452  -6.354
  333   1HG2  THR  45          1HG2      THR  45   5.237   2.896  -7.295
  334   2HG2  THR  45          2HG2      THR  45   5.154   1.156  -7.024
  335   3HG2  THR  45          3HG2      THR  45   5.777   1.783  -8.550
  336    H    ALA  46           H        ALA  46   7.834   4.674  -5.499
  337    HA   ALA  46           HA       ALA  46   5.623   6.274  -6.136
  338   1HB   ALA  46          1HB       ALA  46   6.411   7.754  -4.370
  339   2HB   ALA  46          2HB       ALA  46   7.992   6.971  -4.399
  340   3HB   ALA  46          3HB       ALA  46   6.568   6.068  -3.881
  341    H    ALA  47           H        ALA  47   9.070   6.724  -6.825
  342    HA   ALA  47           HA       ALA  47   8.676   9.307  -8.077
  343   1HB   ALA  47          1HB       ALA  47  10.750   8.774  -6.863
  344   2HB   ALA  47          2HB       ALA  47  11.062   9.229  -8.539
  345   3HB   ALA  47          3HB       ALA  47  11.121   7.532  -8.060
  346    H    LYS  48           H        LYS  48   8.734   5.987  -9.101
  347    HA   LYS  48           HA       LYS  48   9.227   6.510 -11.885
  348   1HB   LYS  48          2HB       LYS  48   8.323   4.064 -10.359
  349   2HB   LYS  48          1HB       LYS  48   8.536   4.078 -12.096
  350   1HG   LYS  48          2HG       LYS  48  10.718   4.700 -10.115
  351   2HG   LYS  48          1HG       LYS  48  10.450   3.116 -10.843
  352   1HD   LYS  48          2HD       LYS  48  10.752   4.178 -13.090
  353   2HD   LYS  48          1HD       LYS  48  11.187   5.679 -12.268
  354   1HE   LYS  48          2HE       LYS  48  13.190   4.474 -12.934
  355   2HE   LYS  48          1HE       LYS  48  13.069   4.518 -11.176
  356   1HZ   LYS  48          1HZ       LYS  48  12.241   2.216 -12.862
  357   2HZ   LYS  48          2HZ       LYS  48  12.292   2.257 -11.171
  358   3HZ   LYS  48          3HZ       LYS  48  13.727   2.333 -12.066
  359    H    TRP  49           H        TRP  49   6.385   5.132 -10.192
  360    HA   TRP  49           HA       TRP  49   4.765   5.598 -12.572
  361   1HB   TRP  49          2HB       TRP  49   4.033   4.144 -10.022
  362   2HB   TRP  49          1HB       TRP  49   3.146   4.107 -11.543
  363    HD1  TRP  49           HD1      TRP  49   6.373   2.800  -9.929
  364    HE1  TRP  49           HE1      TRP  49   7.233   0.800 -11.291
  365    HE3  TRP  49           HE3      TRP  49   3.110   3.044 -13.860
  366    HZ2  TRP  49           HZ2      TRP  49   6.619  -0.501 -13.717
  367    HZ3  TRP  49           HZ3      TRP  49   3.318   1.381 -15.664
  368    HH2  TRP  49           HH2      TRP  49   5.037  -0.354 -15.593
  369    H    PHE  50           H        PHE  50   5.157   6.939  -9.389
  370    HA   PHE  50           HA       PHE  50   2.553   8.306  -9.604
  371   1HB   PHE  50          2HB       PHE  50   4.237   7.730  -7.162
  372   2HB   PHE  50          1HB       PHE  50   2.735   8.652  -7.147
  373    HD1  PHE  50           HD1      PHE  50   0.728   7.390  -8.411
  374    HD2  PHE  50           HD2      PHE  50   4.079   5.490  -6.582
  375    HE1  PHE  50           HE1      PHE  50  -0.566   5.309  -8.200
  376    HE2  PHE  50           HE2      PHE  50   2.787   3.407  -6.368
  377    HZ   PHE  50           HZ       PHE  50   0.462   3.314  -7.176
  378    H    ARG  51           H        ARG  51   5.373   9.093 -10.663
  379    HA   ARG  51           HA       ARG  51   5.910  11.616  -9.426
  380   1HB   ARG  51          2HB       ARG  51   7.642  10.428 -10.686
  381   2HB   ARG  51          1HB       ARG  51   6.691  10.564 -12.159
  382   1HG   ARG  51          2HG       ARG  51   6.880  13.055 -11.958
  383   2HG   ARG  51          1HG       ARG  51   7.993  12.804 -10.613
  384   1HD   ARG  51          2HD       ARG  51   8.389  11.751 -13.414
  385   2HD   ARG  51          1HD       ARG  51   9.135  13.212 -12.772
  386    HE   ARG  51           HE       ARG  51  10.135  11.597 -11.057
  387   1HH1  ARG  51          1HH1      ARG  51   9.430  10.736 -14.315
  388   2HH1  ARG  51          2HH1      ARG  51  10.715   9.583 -14.403
  389   1HH2  ARG  51          1HH2      ARG  51  11.791  10.130 -11.181
  390   2HH2  ARG  51          2HH2      ARG  51  12.028   9.228 -12.639
  391    H    GLY  52           H        GLY  52   4.592  13.335  -9.528
  392   1HA   GLY  52          2HA       GLY  52   3.369  15.059 -10.486
  393   2HA   GLY  52          1HA       GLY  52   3.608  14.312 -12.054
  394    H    GLN  53           H        GLN  53   2.144  12.558  -9.389
  395    HA   GLN  53           HA       GLN  53  -0.349  12.314 -10.883
  396   1HB   GLN  53          2HB       GLN  53   0.596  11.041  -8.302
  397   2HB   GLN  53          1HB       GLN  53  -0.959  10.708  -9.050
  398   1HG   GLN  53          2HG       GLN  53   1.709  10.202 -10.354
  399   2HG   GLN  53          1HG       GLN  53   0.761   8.991  -9.493
  400   1HE2  GLN  53          1HE2      GLN  53   1.606   9.007 -12.260
  401   2HE2  GLN  53          2HE2      GLN  53   0.162   8.916 -13.203
  402    H    ALA  54           H        ALA  54  -2.207  11.993  -8.824
  403    HA   ALA  54           HA       ALA  54  -2.172  14.470  -7.253
  404   1HB   ALA  54          1HB       ALA  54  -4.465  15.021  -7.894
  405   2HB   ALA  54          2HB       ALA  54  -4.494  13.650  -9.005
  406   3HB   ALA  54          3HB       ALA  54  -3.402  15.003  -9.302
  407    H    ASN  55           H        ASN  55  -3.019  14.267  -5.244
  408    HA   ASN  55           HA       ASN  55  -3.787  13.298  -3.336
  409   1HB   ASN  55          2HB       ASN  55  -5.794  12.091  -5.253
  410   2HB   ASN  55          1HB       ASN  55  -5.966  12.118  -3.499
  411   1HD2  ASN  55          1HD2      ASN  55  -4.897  14.748  -3.130
  412   2HD2  ASN  55          2HD2      ASN  55  -6.059  15.860  -3.753
  413    H    LEU  56           H        LEU  56  -1.869  12.046  -3.021
  414    HA   LEU  56           HA       LEU  56  -2.081   9.185  -3.709
  415   1HB   LEU  56          2HB       LEU  56   0.362  10.841  -3.046
  416   2HB   LEU  56          1HB       LEU  56   0.379   9.118  -3.382
  417    HG   LEU  56           HG       LEU  56  -0.430  11.278  -5.343
  418   1HD1  LEU  56          1HD1      LEU  56   1.643  10.706  -6.501
  419   2HD1  LEU  56          2HD1      LEU  56   2.058   9.571  -5.215
  420   3HD1  LEU  56          3HD1      LEU  56   1.961  11.299  -4.871
  421   1HD2  LEU  56          1HD2      LEU  56  -0.154   8.289  -5.704
  422   2HD2  LEU  56          2HD2      LEU  56  -0.431   9.455  -6.998
  423   3HD2  LEU  56          3HD2      LEU  56  -1.654   9.218  -5.750
  424    H    VAL  57           H        VAL  57  -2.592   7.857  -2.093
  425    HA   VAL  57           HA       VAL  57  -2.056   8.669   0.688
  426    HB   VAL  57           HB       VAL  57  -3.890   6.446  -0.234
  427   1HG1  VAL  57          1HG1      VAL  57  -4.844   6.648   2.027
  428   2HG1  VAL  57          2HG1      VAL  57  -3.650   7.885   2.415
  429   3HG1  VAL  57          3HG1      VAL  57  -3.130   6.236   2.071
  430   1HG2  VAL  57          1HG2      VAL  57  -4.610   9.305   0.440
  431   2HG2  VAL  57          2HG2      VAL  57  -5.761   7.999   0.155
  432   3HG2  VAL  57          3HG2      VAL  57  -4.710   8.548  -1.150
  433    H    LEU  58           H        LEU  58  -0.298   7.780   1.585
  434    HA   LEU  58           HA       LEU  58   0.801   5.281   0.573
  435   1HB   LEU  58          2HB       LEU  58   2.351   7.082   1.034
  436   2HB   LEU  58          1HB       LEU  58   1.773   7.211   2.685
  437    HG   LEU  58           HG       LEU  58   2.683   4.952   3.164
  438   1HD1  LEU  58          1HD1      LEU  58   2.560   4.015   0.913
  439   2HD1  LEU  58          2HD1      LEU  58   4.188   3.884   1.573
  440   3HD1  LEU  58          3HD1      LEU  58   3.822   5.124   0.374
  441   1HD2  LEU  58          1HD2      LEU  58   5.044   5.586   3.151
  442   2HD2  LEU  58          2HD2      LEU  58   4.019   6.931   3.652
  443   3HD2  LEU  58          3HD2      LEU  58   4.692   6.895   2.022
  444    H    LEU  59           H        LEU  59  -0.108   3.442   1.307
  445    HA   LEU  59           HA       LEU  59  -1.155   3.227   4.000
  446   1HB   LEU  59          2HB       LEU  59  -0.823   1.121   1.851
  447   2HB   LEU  59          1HB       LEU  59  -1.663   0.888   3.374
  448    HG   LEU  59           HG       LEU  59  -2.493   2.712   1.109
  449   1HD1  LEU  59          1HD1      LEU  59  -3.799   0.256   2.284
  450   2HD1  LEU  59          2HD1      LEU  59  -2.969   0.349   0.731
  451   3HD1  LEU  59          3HD1      LEU  59  -4.456   1.261   0.991
  452   1HD2  LEU  59          1HD2      LEU  59  -3.796   2.333   3.809
  453   2HD2  LEU  59          2HD2      LEU  59  -4.443   3.278   2.466
  454   3HD2  LEU  59          3HD2      LEU  59  -2.954   3.783   3.261
  455    H    ALA  60           H        ALA  60   0.052   2.774   5.714
  456    HA   ALA  60           HA       ALA  60   2.582   1.288   5.343
  457   1HB   ALA  60          1HB       ALA  60   1.933   3.352   7.453
  458   2HB   ALA  60          2HB       ALA  60   2.917   3.626   6.015
  459   3HB   ALA  60          3HB       ALA  60   3.470   2.504   7.258
  460    H    VAL  61           H        VAL  61   1.887  -0.779   5.779
  461    HA   VAL  61           HA       VAL  61   0.487  -1.270   8.336
  462    HB   VAL  61           HB       VAL  61   0.847  -3.186   6.017
  463   1HG1  VAL  61          1HG1      VAL  61  -0.933  -4.479   7.099
  464   2HG1  VAL  61          2HG1      VAL  61  -0.978  -3.315   8.424
  465   3HG1  VAL  61          3HG1      VAL  61   0.464  -4.295   8.159
  466   1HG2  VAL  61          1HG2      VAL  61  -1.491  -2.709   5.440
  467   2HG2  VAL  61          2HG2      VAL  61  -0.482  -1.269   5.301
  468   3HG2  VAL  61          3HG2      VAL  61  -1.548  -1.468   6.692
  469    H    GLU  62           H        GLU  62   1.441  -2.554   9.923
  470    HA   GLU  62           HA       GLU  62   4.225  -3.295   9.479
  471   1HB   GLU  62          2HB       GLU  62   2.576  -3.448  12.013
  472   2HB   GLU  62          1HB       GLU  62   4.314  -3.716  11.892
  473   1HG   GLU  62          2HG       GLU  62   4.394  -1.330  10.915
  474   2HG   GLU  62          1HG       GLU  62   2.774  -1.160  11.584
  475    H    ALA  63           H        ALA  63   4.939  -5.299   9.151
  476    HA   ALA  63           HA       ALA  63   3.537  -7.177   7.880
  477   1HB   ALA  63          1HB       ALA  63   5.979  -7.185   8.135
  478   2HB   ALA  63          2HB       ALA  63   5.271  -8.788   8.344
  479   3HB   ALA  63          3HB       ALA  63   5.792  -7.862   9.753
  480    H    GLU  64           H        GLU  64   4.133  -7.483  11.404
  481    HA   GLU  64           HA       GLU  64   2.880  -8.388  13.079
  482   1HB   GLU  64          2HB       GLU  64   1.000  -7.202  11.856
  483   2HB   GLU  64          1HB       GLU  64   0.660  -8.720  11.043
  484   1HG   GLU  64          2HG       GLU  64  -0.887  -8.536  12.812
  485   2HG   GLU  64          1HG       GLU  64   0.297  -9.740  13.315
  486    HA   PRO  65           HA       PRO  65   3.609 -12.803  12.369
  487   1HB   PRO  65          2HB       PRO  65   3.023 -13.685  14.869
  488   2HB   PRO  65          1HB       PRO  65   4.527 -12.839  14.485
  489   1HG   PRO  65          2HG       PRO  65   2.008 -11.760  15.708
  490   2HG   PRO  65          1HG       PRO  65   3.692 -11.481  16.192
  491   1HD   PRO  65          2HD       PRO  65   2.295  -9.692  14.712
  492   2HD   PRO  65          1HD       PRO  65   4.045  -9.915  14.526
  493    H    LEU  66           H        LEU  66   1.280 -12.003  11.214
  494    HA   LEU  66           HA       LEU  66  -1.124 -13.016  12.267
  495   1HB   LEU  66          2HB       LEU  66  -0.292 -12.570   9.393
  496   2HB   LEU  66          1HB       LEU  66  -1.938 -12.872   9.915
  497    HG   LEU  66           HG       LEU  66  -0.319 -10.495  10.845
  498   1HD1  LEU  66          1HD1      LEU  66  -1.573  -9.165   9.224
  499   2HD1  LEU  66          2HD1      LEU  66  -2.335 -10.628   8.599
  500   3HD1  LEU  66          3HD1      LEU  66  -0.596 -10.391   8.416
  501   1HD2  LEU  66          1HD2      LEU  66  -2.508  -9.602  11.487
  502   2HD2  LEU  66          2HD2      LEU  66  -2.172 -11.122  12.313
  503   3HD2  LEU  66          3HD2      LEU  66  -3.282 -11.091  10.942
  504    H    GLY  67           H        GLY  67   1.519 -14.640  10.744
  505   1HA   GLY  67          2HA       GLY  67   1.263 -17.166  11.255
  506   2HA   GLY  67          1HA       GLY  67  -0.120 -17.027  10.178
  507    H    GLU  68           H        GLU  68   0.222 -16.682   7.954
  508    HA   GLU  68           HA       GLU  68   2.950 -16.511   6.935
  509   1HB   GLU  68          2HB       GLU  68   2.448 -18.955   7.279
  510   2HB   GLU  68          1HB       GLU  68   1.137 -18.799   6.117
  511   1HG   GLU  68          2HG       GLU  68   2.676 -18.302   4.347
  512   2HG   GLU  68          1HG       GLU  68   4.023 -18.199   5.482
  513    H    ASP  69           H        ASP  69   0.455 -14.947   7.004
  514    HA   ASP  69           HA       ASP  69  -0.844 -14.852   4.515
  515   1HB   ASP  69          2HB       ASP  69  -0.387 -12.559   6.444
  516   2HB   ASP  69          1HB       ASP  69  -1.673 -12.692   5.247
  517    H    LEU  70           H        LEU  70   1.992 -13.126   5.741
  518    HA   LEU  70           HA       LEU  70   2.361 -11.805   3.143
  519   1HB   LEU  70          2HB       LEU  70   2.373 -10.531   5.353
  520   2HB   LEU  70          1HB       LEU  70   3.914 -11.301   5.682
  521    HG   LEU  70           HG       LEU  70   4.801 -10.263   3.567
  522   1HD1  LEU  70          1HD1      LEU  70   2.726  -9.899   2.386
  523   2HD1  LEU  70          2HD1      LEU  70   3.519  -8.347   2.648
  524   3HD1  LEU  70          3HD1      LEU  70   2.149  -8.817   3.653
  525   1HD2  LEU  70          1HD2      LEU  70   3.757  -8.369   5.678
  526   2HD2  LEU  70          2HD2      LEU  70   5.056  -8.024   4.534
  527   3HD2  LEU  70          3HD2      LEU  70   5.265  -9.282   5.752
  528    H    LYS  71           H        LYS  71   3.469 -13.066   1.773
  529    HA   LYS  71           HA       LYS  71   5.734 -14.675   2.752
  530   1HB   LYS  71          2HB       LYS  71   3.790 -15.709   1.473
  531   2HB   LYS  71          1HB       LYS  71   4.365 -14.842   0.057
  532   1HG   LYS  71          2HG       LYS  71   6.464 -16.071   0.125
  533   2HG   LYS  71          1HG       LYS  71   5.953 -16.896   1.603
  534   1HD   LYS  71          2HD       LYS  71   3.999 -17.812   0.331
  535   2HD   LYS  71          1HD       LYS  71   4.676 -17.101  -1.134
  536   1HE   LYS  71          2HE       LYS  71   6.099 -19.129   0.595
  537   2HE   LYS  71          1HE       LYS  71   5.173 -19.530  -0.848
  538   1HZ   LYS  71          1HZ       LYS  71   7.533 -19.382  -1.307
  539   2HZ   LYS  71          2HZ       LYS  71   7.568 -17.779  -0.771
  540   3HZ   LYS  71          3HZ       LYS  71   6.686 -18.188  -2.157
  541    H    TRP  72           H        TRP  72   7.624 -13.581   2.622
  542    HA   TRP  72           HA       TRP  72   8.071 -11.444   0.760
  543   1HB   TRP  72          2HB       TRP  72   9.932 -12.859   2.685
  544   2HB   TRP  72          1HB       TRP  72  10.408 -11.475   1.707
  545    HD1  TRP  72           HD1      TRP  72   7.942 -12.376   4.543
  546    HE1  TRP  72           HE1      TRP  72   7.450 -10.239   5.888
  547    HE3  TRP  72           HE3      TRP  72  10.486  -9.009   1.650
  548    HZ2  TRP  72           HZ2      TRP  72   8.068  -7.486   5.742
  549    HZ3  TRP  72           HZ3      TRP  72  10.483  -6.638   2.324
  550    HH2  TRP  72           HH2      TRP  72   9.299  -5.896   4.328
  551    H    GLU  73           H        GLU  73   8.466 -11.761  -1.333
  552    HA   GLU  73           HA       GLU  73  10.388 -13.839  -2.142
  553   1HB   GLU  73          2HB       GLU  73   7.668 -13.427  -3.415
  554   2HB   GLU  73          1HB       GLU  73   8.922 -14.502  -4.021
  555   1HG   GLU  73          2HG       GLU  73   8.725 -15.940  -2.141
  556   2HG   GLU  73          1HG       GLU  73   7.713 -14.783  -1.279
  557    H    ALA  74           H        ALA  74  11.775 -13.187  -3.692
  558    HA   ALA  74           HA       ALA  74  11.862 -10.450  -4.453
  559   1HB   ALA  74          1HB       ALA  74  13.870 -11.054  -5.694
  560   2HB   ALA  74          2HB       ALA  74  13.494 -12.766  -5.489
  561   3HB   ALA  74          3HB       ALA  74  13.882 -11.773  -4.084
  562    H    SER  75           H        SER  75  10.123  -9.841  -5.708
  563    HA   SER  75           HA       SER  75   9.178 -11.297  -7.961
  564   1HB   SER  75          2HB       SER  75   8.793  -8.378  -7.237
  565   2HB   SER  75          1HB       SER  75   7.924  -9.212  -8.524
  566    HG   SER  75           HG       SER  75   6.611  -9.950  -7.079
  567    H    ARG  76           H        ARG  76  11.787  -9.039  -7.556
  568    HA   ARG  76           HA       ARG  76  12.194  -8.985 -10.491
  569   1HB   ARG  76          2HB       ARG  76  13.108  -6.909  -8.480
  570   2HB   ARG  76          1HB       ARG  76  13.346  -6.841 -10.221
  571   1HG   ARG  76          2HG       ARG  76  10.891  -6.733 -10.519
  572   2HG   ARG  76          1HG       ARG  76  10.706  -6.712  -8.764
  573   1HD   ARG  76          2HD       ARG  76  10.588  -4.453  -9.395
  574   2HD   ARG  76          1HD       ARG  76  12.235  -4.656  -8.800
  575    HE   ARG  76           HE       ARG  76  11.416  -4.342 -11.601
  576   1HH1  ARG  76          1HH1      ARG  76  13.957  -4.548  -9.283
  577   2HH1  ARG  76          2HH1      ARG  76  15.138  -3.904 -10.363
  578   1HH2  ARG  76          1HH2      ARG  76  12.931  -3.492 -12.962
  579   2HH2  ARG  76          2HH2      ARG  76  14.565  -3.311 -12.426
  580    H    GLY  77           H        GLY  77  13.149 -10.998  -8.523
  581   1HA   GLY  77          2HA       GLY  77  15.052 -12.294  -8.350
  582   2HA   GLY  77          1HA       GLY  77  15.844 -11.200  -9.469
  583    H    GLY  78           H        GLY  78  16.791  -9.222  -8.585
  584   1HA   GLY  78          2HA       GLY  78  18.172  -9.679  -6.120
  585   2HA   GLY  78          1HA       GLY  78  18.246  -8.221  -7.096
  586    H    ALA  79           H        ALA  79  15.566  -7.444  -7.051
  587    HA   ALA  79           HA       ALA  79  15.349  -6.390  -4.352
  588   1HB   ALA  79          1HB       ALA  79  13.584  -5.883  -6.751
  589   2HB   ALA  79          2HB       ALA  79  15.010  -4.939  -6.321
  590   3HB   ALA  79          3HB       ALA  79  13.608  -4.955  -5.251
  591    H    ARG  80           H        ARG  80  14.164  -7.301  -2.783
  592    HA   ARG  80           HA       ARG  80  12.306  -9.449  -3.403
  593   1HB   ARG  80          2HB       ARG  80  13.058  -8.309  -0.703
  594   2HB   ARG  80          1HB       ARG  80  12.188  -9.808  -0.996
  595   1HG   ARG  80          2HG       ARG  80  14.223 -10.654  -2.194
  596   2HG   ARG  80          1HG       ARG  80  15.068  -9.207  -1.641
  597   1HD   ARG  80          2HD       ARG  80  13.855 -11.386   0.060
  598   2HD   ARG  80          1HD       ARG  80  15.566 -11.012  -0.130
  599    HE   ARG  80           HE       ARG  80  14.372  -8.718   0.858
  600   1HH1  ARG  80          1HH1      ARG  80  14.816 -11.979   1.879
  601   2HH1  ARG  80          2HH1      ARG  80  14.790 -11.572   3.560
  602   1HH2  ARG  80          1HH2      ARG  80  14.352  -8.206   3.020
  603   2HH2  ARG  80          2HH2      ARG  80  14.542  -9.459   4.198
  604    H    PHE  81           H        PHE  81  10.108  -9.495  -2.818
  605    HA   PHE  81           HA       PHE  81   8.883  -6.953  -1.988
  606   1HB   PHE  81          2HB       PHE  81   8.088  -8.621  -4.388
  607   2HB   PHE  81          1HB       PHE  81   7.011  -7.437  -3.655
  608    HD1  PHE  81           HD2      PHE  81  10.187  -7.878  -5.484
  609    HD2  PHE  81           HD1      PHE  81   7.308  -5.100  -4.015
  610    HE1  PHE  81           HE2      PHE  81  11.213  -6.101  -6.835
  611    HE2  PHE  81           HE1      PHE  81   8.331  -3.322  -5.370
  612    HZ   PHE  81           HZ       PHE  81  10.284  -3.818  -6.781
  613    HA   PRO  82           HA       PRO  82   6.739  -9.825   0.761
  614   1HB   PRO  82          2HB       PRO  82   5.128  -7.966   1.942
  615   2HB   PRO  82          1HB       PRO  82   6.826  -8.187   2.372
  616   1HG   PRO  82          2HG       PRO  82   5.582  -6.146   0.563
  617   2HG   PRO  82          1HG       PRO  82   6.839  -5.932   1.797
  618   1HD   PRO  82          2HD       PRO  82   7.414  -6.104  -0.843
  619   2HD   PRO  82          1HD       PRO  82   8.511  -6.720   0.411
  620    H    HIS  83           H        HIS  83   5.330 -11.150  -0.269
  621    HA   HIS  83           HA       HIS  83   3.147 -10.056  -1.877
  622   1HB   HIS  83          2HB       HIS  83   4.070 -12.914  -1.466
  623   2HB   HIS  83          1HB       HIS  83   2.788 -12.417  -2.564
  624    HD1  HIS  83           HD1      HIS  83   4.939 -13.885  -3.904
  625    HD2  HIS  83           HD2      HIS  83   5.233  -9.791  -3.241
  626    HE1  HIS  83           HE1      HIS  83   6.567 -13.041  -5.616
  627    HE2  HIS  83           HE2      HIS  83   6.895 -10.615  -5.046
  628    H    LEU  84           H        LEU  84   1.018 -10.169  -1.362
  629    HA   LEU  84           HA       LEU  84   0.236 -11.554   1.126
  630   1HB   LEU  84          2HB       LEU  84   0.063  -9.094   1.270
  631   2HB   LEU  84          1HB       LEU  84  -0.985  -9.086  -0.134
  632    HG   LEU  84           HG       LEU  84  -2.681 -10.364   1.134
  633   1HD1  LEU  84          1HD1      LEU  84  -2.456 -10.630   3.551
  634   2HD1  LEU  84          2HD1      LEU  84  -0.812  -9.995   3.476
  635   3HD1  LEU  84          3HD1      LEU  84  -1.207 -11.525   2.690
  636   1HD2  LEU  84          1HD2      LEU  84  -1.784  -7.817   2.488
  637   2HD2  LEU  84          2HD2      LEU  84  -3.393  -8.533   2.583
  638   3HD2  LEU  84          3HD2      LEU  84  -2.791  -7.923   1.042
  639    H    TYR  85           H        TYR  85  -1.053 -13.272   0.799
  640    HA   TYR  85           HA       TYR  85  -2.263 -13.635  -1.847
  641   1HB   TYR  85          2HB       TYR  85  -1.579 -15.567   0.371
  642   2HB   TYR  85          1HB       TYR  85  -2.470 -16.042  -1.076
  643    HD1  TYR  85           HD1      TYR  85   0.771 -14.622   0.091
  644    HD2  TYR  85           HD2      TYR  85  -1.338 -16.484  -3.108
  645    HE1  TYR  85           HE1      TYR  85   2.881 -14.897  -1.139
  646    HE2  TYR  85           HE2      TYR  85   0.770 -16.762  -4.340
  647    HH   TYR  85           HH       TYR  85   3.863 -16.082  -2.885
  648    H    ARG  86           H        ARG  86  -3.575 -11.878  -0.014
  649    HA   ARG  86           HA       ARG  86  -6.221 -12.847  -0.465
  650   1HB   ARG  86          2HB       ARG  86  -7.044 -12.688   1.851
  651   2HB   ARG  86          1HB       ARG  86  -5.866 -13.977   1.662
  652   1HG   ARG  86          2HG       ARG  86  -4.177 -12.701   2.770
  653   2HG   ARG  86          1HG       ARG  86  -5.189 -11.254   2.762
  654   1HD   ARG  86          2HD       ARG  86  -6.748 -12.262   4.293
  655   2HD   ARG  86          1HD       ARG  86  -5.923 -13.815   4.184
  656    HE   ARG  86           HE       ARG  86  -4.103 -12.878   5.417
  657   1HH1  ARG  86          1HH1      ARG  86  -6.934 -10.898   5.348
  658   2HH1  ARG  86          2HH1      ARG  86  -6.461 -10.019   6.764
  659   1HH2  ARG  86          1HH2      ARG  86  -3.568 -11.780   7.243
  660   2HH2  ARG  86          2HH2      ARG  86  -4.584 -10.495   7.811
  661    HA   PRO  87           HA       PRO  87  -7.041  -8.524  -0.940
  662   1HB   PRO  87          2HB       PRO  87  -9.541  -8.277   0.235
  663   2HB   PRO  87          1HB       PRO  87  -9.248  -8.850  -1.409
  664   1HG   PRO  87          2HG       PRO  87  -9.721 -10.434   1.092
  665   2HG   PRO  87          1HG       PRO  87 -10.356 -10.706  -0.544
  666   1HD   PRO  87          2HD       PRO  87  -8.316 -12.161   0.397
  667   2HD   PRO  87          1HD       PRO  87  -8.356 -11.636  -1.301
  668    H    LEU  88           H        LEU  88  -6.980  -6.523   0.161
  669    HA   LEU  88           HA       LEU  88  -5.918  -6.803   2.872
  670   1HB   LEU  88          2HB       LEU  88  -4.554  -5.660   1.189
  671   2HB   LEU  88          1HB       LEU  88  -5.825  -4.477   0.942
  672    HG   LEU  88           HG       LEU  88  -5.522  -3.688   3.272
  673   1HD1  LEU  88          1HD1      LEU  88  -3.223  -5.646   3.322
  674   2HD1  LEU  88          2HD1      LEU  88  -4.699  -5.743   4.284
  675   3HD1  LEU  88          3HD1      LEU  88  -3.558  -4.426   4.552
  676   1HD2  LEU  88          1HD2      LEU  88  -4.349  -2.569   1.454
  677   2HD2  LEU  88          2HD2      LEU  88  -3.005  -3.701   1.604
  678   3HD2  LEU  88          3HD2      LEU  88  -3.362  -2.578   2.917
  679    H    LEU  89           H        LEU  89  -7.524  -6.752   4.361
  680    HA   LEU  89           HA       LEU  89  -9.850  -5.137   4.233
  681   1HB   LEU  89          2HB       LEU  89  -8.493  -6.269   6.691
  682   2HB   LEU  89          1HB       LEU  89 -10.155  -5.719   6.590
  683    HG   LEU  89           HG       LEU  89  -9.010  -8.102   5.115
  684   1HD1  LEU  89          1HD1      LEU  89 -10.362  -9.443   6.640
  685   2HD1  LEU  89          2HD1      LEU  89 -10.853  -7.985   7.504
  686   3HD1  LEU  89          3HD1      LEU  89  -9.163  -8.493   7.516
  687   1HD2  LEU  89          1HD2      LEU  89 -11.350  -8.589   4.550
  688   2HD2  LEU  89          2HD2      LEU  89 -10.806  -7.062   3.861
  689   3HD2  LEU  89          3HD2      LEU  89 -11.841  -7.064   5.289
  690    H    VAL  90           H        VAL  90 -10.293  -3.073   5.055
  691    HA   VAL  90           HA       VAL  90  -8.174  -1.252   5.474
  692    HB   VAL  90           HB       VAL  90 -11.085  -0.982   6.282
  693   1HG1  VAL  90          1HG1      VAL  90 -10.663   1.445   6.303
  694   2HG1  VAL  90          2HG1      VAL  90  -8.947   1.142   6.031
  695   3HG1  VAL  90          3HG1      VAL  90  -9.712   0.603   7.527
  696   1HG2  VAL  90          1HG2      VAL  90  -9.612  -0.037   3.819
  697   2HG2  VAL  90          2HG2      VAL  90 -11.293   0.329   4.208
  698   3HG2  VAL  90          3HG2      VAL  90 -10.804  -1.335   3.888
  699    H    SER  91           H        SER  91 -10.152  -3.124   7.712
  700    HA   SER  91           HA       SER  91  -9.070  -2.020  10.106
  701   1HB   SER  91          2HB       SER  91 -10.386  -4.722   9.705
  702   2HB   SER  91          1HB       SER  91 -10.168  -3.886  11.243
  703    HG   SER  91           HG       SER  91 -11.551  -2.251  10.494
  704    H    GLU  92           H        GLU  92  -7.531  -3.789   7.798
  705    HA   GLU  92           HA       GLU  92  -5.817  -5.289   9.650
  706   1HB   GLU  92          2HB       GLU  92  -6.736  -6.251   7.449
  707   2HB   GLU  92          1HB       GLU  92  -5.588  -5.200   6.635
  708   1HG   GLU  92          2HG       GLU  92  -4.527  -7.278   6.748
  709   2HG   GLU  92          1HG       GLU  92  -3.790  -6.333   8.041
  710    H    VAL  93           H        VAL  93  -5.957  -2.314   8.016
  711    HA   VAL  93           HA       VAL  93  -3.140  -1.952   7.522
  712    HB   VAL  93           HB       VAL  93  -5.399   0.063   7.452
  713   1HG1  VAL  93          1HG1      VAL  93  -2.599   0.235   6.322
  714   2HG1  VAL  93          2HG1      VAL  93  -3.229   1.152   7.691
  715   3HG1  VAL  93          3HG1      VAL  93  -3.882   1.420   6.075
  716   1HG2  VAL  93          1HG2      VAL  93  -4.152  -1.562   5.227
  717   2HG2  VAL  93          2HG2      VAL  93  -5.336  -0.273   5.009
  718   3HG2  VAL  93          3HG2      VAL  93  -5.784  -1.743   5.873
  719    H    THR  94           H        THR  94  -1.677  -1.368   8.990
  720    HA   THR  94           HA       THR  94  -2.307  -0.623  11.648
  721    HB   THR  94           HB       THR  94   0.363  -0.203  10.285
  722    HG1  THR  94           HG1      THR  94  -0.148  -2.547  11.740
  723   1HG2  THR  94          1HG2      THR  94   0.165   0.790  12.521
  724   2HG2  THR  94          2HG2      THR  94   1.268  -0.586  12.539
  725   3HG2  THR  94          3HG2      THR  94  -0.371  -0.761  13.168
  726    H    ARG  95           H        ARG  95  -0.751   1.311   9.042
  727    HA   ARG  95           HA       ARG  95  -2.015   3.725  10.148
  728   1HB   ARG  95          2HB       ARG  95   0.914   3.635   9.382
  729   2HB   ARG  95          1HB       ARG  95   0.034   5.016  10.022
  730   1HG   ARG  95          2HG       ARG  95  -0.342   3.650  12.116
  731   2HG   ARG  95          1HG       ARG  95   0.818   2.491  11.463
  732   1HD   ARG  95          2HD       ARG  95   2.009   3.951  12.933
  733   2HD   ARG  95          1HD       ARG  95   2.468   4.376  11.281
  734    HE   ARG  95           HE       ARG  95   0.318   5.904  12.543
  735   1HH1  ARG  95          1HH1      ARG  95   3.605   5.776  11.507
  736   2HH1  ARG  95          2HH1      ARG  95   3.814   7.485  11.615
  737   1HH2  ARG  95          1HH2      ARG  95   0.608   8.100  12.688
  738   2HH2  ARG  95          2HH2      ARG  95   2.141   8.787  12.279
  739    H    GLU  96           H        GLU  96  -1.945   5.577   8.659
  740    HA   GLU  96           HA       GLU  96  -1.283   5.064   5.866
  741   1HB   GLU  96          2HB       GLU  96  -3.502   5.669   5.025
  742   2HB   GLU  96          1HB       GLU  96  -3.604   4.243   6.049
  743   1HG   GLU  96          2HG       GLU  96  -4.422   5.610   7.898
  744   2HG   GLU  96          1HG       GLU  96  -4.284   7.055   6.899
  745    H    ALA  97           H        ALA  97  -1.325   7.069   4.554
  746    HA   ALA  97           HA       ALA  97  -1.792   9.584   5.906
  747   1HB   ALA  97          1HB       ALA  97   0.425   8.987   6.769
  748   2HB   ALA  97          2HB       ALA  97   0.485  10.432   5.757
  749   3HB   ALA  97          3HB       ALA  97   1.037   8.883   5.118
  750    H    ASP  98           H        ASP  98  -2.703  10.857   4.426
  751    HA   ASP  98           HA       ASP  98  -2.310  10.551   1.605
  752   1HB   ASP  98          2HB       ASP  98  -3.684  12.702   3.238
  753   2HB   ASP  98          1HB       ASP  98  -3.676  12.667   1.478
  754    H    LEU  99           H        LEU  99  -0.310  11.029   0.816
  755    HA   LEU  99           HA       LEU  99   0.642  13.767   1.249
  756   1HB   LEU  99          2HB       LEU  99   2.958  13.105   1.411
  757   2HB   LEU  99          1HB       LEU  99   2.015  12.361   2.675
  758    HG   LEU  99           HG       LEU  99   3.355  10.608   2.173
  759   1HD1  LEU  99          1HD1      LEU  99   1.288  10.222   0.023
  760   2HD1  LEU  99          2HD1      LEU  99   1.140   9.767   1.720
  761   3HD1  LEU  99          3HD1      LEU  99   2.333   8.970   0.696
  762   1HD2  LEU  99          1HD2      LEU  99   3.505  11.505  -0.699
  763   2HD2  LEU  99          2HD2      LEU  99   4.359  10.125  -0.012
  764   3HD2  LEU  99          3HD2      LEU  99   4.720  11.754   0.554
  765    H    ASP 100           H        ASP 100  -0.085  14.526  -0.647
  766    HA   ASP 100           HA       ASP 100   0.506  13.079  -3.102
  767   1HB   ASP 100          2HB       ASP 100  -0.958  14.842  -4.156
  768   2HB   ASP 100          1HB       ASP 100  -1.742  13.824  -2.954
  769    H    LEU 101           H        LEU 101   2.710  13.359  -3.286
  770    HA   LEU 101           HA       LEU 101   4.554  14.245  -4.266
  771   1HB   LEU 101          2HB       LEU 101   2.683  16.404  -5.246
  772   2HB   LEU 101          1HB       LEU 101   4.276  16.046  -5.888
  773    HG   LEU 101           HG       LEU 101   1.820  14.296  -6.047
  774   1HD1  LEU 101          1HD1      LEU 101   1.857  16.167  -7.619
  775   2HD1  LEU 101          2HD1      LEU 101   2.041  14.623  -8.450
  776   3HD1  LEU 101          3HD1      LEU 101   3.446  15.658  -8.195
  777   1HD2  LEU 101          1HD2      LEU 101   3.206  12.725  -7.316
  778   2HD2  LEU 101          2HD2      LEU 101   3.791  12.912  -5.660
  779   3HD2  LEU 101          3HD2      LEU 101   4.630  13.713  -6.989
  780    H    ASP 102           H        ASP 102   5.577  16.675  -4.697
  781    HA   ASP 102           HA       ASP 102   5.263  18.431  -2.421
  782   1HB   ASP 102          2HB       ASP 102   6.845  16.506  -1.745
  783   2HB   ASP 102          1HB       ASP 102   7.992  17.197  -2.886
  784    H    ALA 103           H        ALA 103   7.667  19.903  -2.785
  785    HA   ALA 103           HA       ALA 103   7.012  21.660  -4.803
  786   1HB   ALA 103          1HB       ALA 103   8.501  22.172  -2.922
  787   2HB   ALA 103          2HB       ALA 103   9.198  22.656  -4.469
  788   3HB   ALA 103          3HB       ALA 103   9.765  21.191  -3.665
  789    H    ASP 104           H        ASP 104   8.897  18.710  -5.123
  790    HA   ASP 104           HA       ASP 104   9.898  19.544  -7.756
  791   1HB   ASP 104          2HB       ASP 104  11.446  17.672  -7.570
  792   2HB   ASP 104          1HB       ASP 104  11.523  18.661  -6.115
  793    H    GLY 105           H        GLY 105   7.165  18.163  -6.696
  794   1HA   GLY 105          2HA       GLY 105   5.496  17.083  -7.894
  795   2HA   GLY 105          1HA       GLY 105   6.619  16.907  -9.228
  796    H    VAL 106           H        VAL 106   7.975  15.731  -6.377
  797    HA   VAL 106           HA       VAL 106   7.115  12.963  -6.975
  798    HB   VAL 106           HB       VAL 106   9.845  13.880  -6.029
  799   1HG1  VAL 106          1HG1      VAL 106   8.872  11.106  -6.740
  800   2HG1  VAL 106          2HG1      VAL 106   9.287  11.685  -5.127
  801   3HG1  VAL 106          3HG1      VAL 106  10.539  11.543  -6.361
  802   1HG2  VAL 106          1HG2      VAL 106   9.452  14.456  -8.368
  803   2HG2  VAL 106          2HG2      VAL 106   8.996  12.787  -8.717
  804   3HG2  VAL 106          3HG2      VAL 106  10.649  13.167  -8.230
  805    HA   PRO 107           HA       PRO 107   5.735  12.941  -2.716
  806   1HB   PRO 107          2HB       PRO 107   5.719  10.209  -2.333
  807   2HB   PRO 107          1HB       PRO 107   4.425  11.115  -3.124
  808   1HG   PRO 107          2HG       PRO 107   6.660   9.545  -4.343
  809   2HG   PRO 107          1HG       PRO 107   4.961   9.653  -4.841
  810   1HD   PRO 107          2HD       PRO 107   6.920  11.002  -6.119
  811   2HD   PRO 107          1HD       PRO 107   5.283  11.663  -5.943
  812    H    GLN 108           H        GLN 108   7.404  13.801  -1.547
  813    HA   GLN 108           HA       GLN 108   9.949  12.557  -1.247
  814   1HB   GLN 108          2HB       GLN 108   8.688  14.799   0.348
  815   2HB   GLN 108          1HB       GLN 108  10.370  14.304   0.478
  816   1HG   GLN 108          2HG       GLN 108   9.012  15.488  -1.941
  817   2HG   GLN 108          1HG       GLN 108  10.198  16.271  -0.899
  818   1HE2  GLN 108          1HE2      GLN 108   9.688  14.083  -3.500
  819   2HE2  GLN 108          2HE2      GLN 108  11.348  13.840  -3.905
  820    H    LEU 109           H        LEU 109   9.200  10.402  -0.553
  821    HA   LEU 109           HA       LEU 109   8.089   9.932   1.999
  822   1HB   LEU 109          2HB       LEU 109   9.528   8.286  -0.016
  823   2HB   LEU 109          1HB       LEU 109   9.450   7.651   1.615
  824    HG   LEU 109           HG       LEU 109   6.998   7.722   1.545
  825   1HD1  LEU 109          1HD1      LEU 109   7.323   8.649  -1.306
  826   2HD1  LEU 109          2HD1      LEU 109   6.713   9.619   0.035
  827   3HD1  LEU 109          3HD1      LEU 109   5.807   8.211  -0.516
  828   1HD2  LEU 109          1HD2      LEU 109   8.107   5.680   0.864
  829   2HD2  LEU 109          2HD2      LEU 109   8.262   6.281  -0.787
  830   3HD2  LEU 109          3HD2      LEU 109   6.666   5.936  -0.120
  831    H    GLY 110           H        GLY 110  11.262  10.924   1.137
  832   1HA   GLY 110          2HA       GLY 110  12.907   9.759   3.031
  833   2HA   GLY 110          1HA       GLY 110  13.119  11.388   2.414
  834    H    ASP 111           H        ASP 111  10.687  12.474   3.500
  835    HA   ASP 111           HA       ASP 111  11.551  12.982   6.203
  836   1HB   ASP 111          2HB       ASP 111  10.690  14.803   4.831
  837   2HB   ASP 111          1HB       ASP 111   9.156  13.966   4.631
  838    H    HIS 112           H        HIS 112   9.003  11.109   4.656
  839    HA   HIS 112           HA       HIS 112   7.452  10.850   7.083
  840   1HB   HIS 112          2HB       HIS 112   6.343  11.068   4.905
  841   2HB   HIS 112          1HB       HIS 112   7.081   9.564   4.368
  842    HD1  HIS 112           HD1      HIS 112   4.457  10.877   6.717
  843    HD2  HIS 112           HD2      HIS 112   5.822   7.258   5.216
  844    HE1  HIS 112           HE1      HIS 112   2.775   9.173   7.460
  845    HE2  HIS 112           HE2      HIS 112   3.784   6.971   6.787
  846    H    LEU 113           H        LEU 113   9.867   8.953   5.435
  847    HA   LEU 113           HA       LEU 113   9.199   6.522   6.915
  848   1HB   LEU 113          2HB       LEU 113  11.463   7.001   4.974
  849   2HB   LEU 113          1HB       LEU 113  10.951   5.449   5.611
  850    HG   LEU 113           HG       LEU 113   9.424   7.217   3.696
  851   1HD1  LEU 113          1HD1      LEU 113  11.229   5.977   2.659
  852   2HD1  LEU 113          2HD1      LEU 113   9.674   5.303   2.171
  853   3HD1  LEU 113          3HD1      LEU 113  10.652   4.477   3.385
  854   1HD2  LEU 113          1HD2      LEU 113   8.569   4.612   4.963
  855   2HD2  LEU 113          2HD2      LEU 113   7.718   5.453   3.668
  856   3HD2  LEU 113          3HD2      LEU 113   7.859   6.200   5.258
  857    H    ALA 114           H        ALA 114  12.191   8.310   6.342
  858    HA   ALA 114           HA       ALA 114  12.855   8.494   9.129
  859   1HB   ALA 114          1HB       ALA 114  14.897   7.155   9.062
  860   2HB   ALA 114          2HB       ALA 114  14.552   6.683   7.397
  861   3HB   ALA 114          3HB       ALA 114  13.491   6.152   8.703
  862    H    LEU 115           H        LEU 115  14.029  10.323   9.392
  863    HA   LEU 115           HA       LEU 115  14.286  12.158   7.360
  864   1HB   LEU 115          2HB       LEU 115  15.891  12.044   9.916
  865   2HB   LEU 115          1HB       LEU 115  15.767  13.449   8.874
  866    HG   LEU 115           HG       LEU 115  13.512  12.176  10.440
  867   1HD1  LEU 115          1HD1      LEU 115  15.065  13.470  11.815
  868   2HD1  LEU 115          2HD1      LEU 115  13.506  14.281  11.683
  869   3HD1  LEU 115          3HD1      LEU 115  14.879  14.854  10.737
  870   1HD2  LEU 115          1HD2      LEU 115  13.462  14.561   8.581
  871   2HD2  LEU 115          2HD2      LEU 115  12.140  14.054   9.631
  872   3HD2  LEU 115          3HD2      LEU 115  12.666  13.009   8.313
  873    H    GLU 116           H        GLU 116  15.308  11.414   5.509
  874    HA   GLU 116           HA       GLU 116  18.156  10.763   5.633
  875   1HB   GLU 116          2HB       GLU 116  16.691   9.489   4.082
  876   2HB   GLU 116          1HB       GLU 116  16.335  10.979   3.213
  877   1HG   GLU 116          2HG       GLU 116  18.846  11.175   2.825
  878   2HG   GLU 116          1HG       GLU 116  18.959   9.518   3.411
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  11.875  -3.165  14.054
    2   2H    MET   1          2H        MET   1  11.638  -4.791  13.670
    3   3H    MET   1          3H        MET   1  11.222  -4.218  15.203
    4    HA   MET   1           HA       MET   1   9.263  -4.544  13.838
    5   1HB   MET   1          2HB       MET   1   9.284  -2.765  15.551
    6   2HB   MET   1          1HB       MET   1   9.898  -1.626  14.360
    7   1HG   MET   1          2HG       MET   1   7.833  -1.863  13.068
    8   2HG   MET   1          1HG       MET   1   7.220  -3.008  14.261
    9   1HE   MET   1          1HE       MET   1   5.001  -1.603  14.658
   10   2HE   MET   1          2HE       MET   1   5.538  -0.494  13.396
   11   3HE   MET   1          3HE       MET   1   4.997   0.135  14.952
   12    H    THR   2           H        THR   2   9.216  -5.132  11.713
   13    HA   THR   2           HA       THR   2  10.268  -3.364   9.649
   14    HB   THR   2           HB       THR   2   9.550  -5.166   8.066
   15    HG1  THR   2           HG1      THR   2   9.177  -7.082   9.967
   16   1HG2  THR   2          1HG2      THR   2  11.821  -5.174   8.987
   17   2HG2  THR   2          2HG2      THR   2  11.223  -6.821   8.777
   18   3HG2  THR   2          3HG2      THR   2  11.260  -6.094  10.384
   19    H    LEU   3           H        LEU   3   9.075  -2.293   8.107
   20    HA   LEU   3           HA       LEU   3   6.133  -2.292   8.402
   21   1HB   LEU   3          2HB       LEU   3   7.908   0.116   7.940
   22   2HB   LEU   3          1HB       LEU   3   6.154   0.138   7.972
   23    HG   LEU   3           HG       LEU   3   7.931  -0.554  10.327
   24   1HD1  LEU   3          1HD1      LEU   3   7.230   1.594  11.248
   25   2HD1  LEU   3          2HD1      LEU   3   6.330   1.947   9.773
   26   3HD1  LEU   3          3HD1      LEU   3   8.088   1.812   9.722
   27   1HD2  LEU   3          1HD2      LEU   3   4.938  -0.162  10.174
   28   2HD2  LEU   3          2HD2      LEU   3   5.874  -0.455  11.640
   29   3HD2  LEU   3          3HD2      LEU   3   5.770  -1.702  10.399
   30    H    ILE   4           H        ILE   4   4.950  -2.188   6.522
   31    HA   ILE   4           HA       ILE   4   6.467  -2.182   3.989
   32    HB   ILE   4           HB       ILE   4   4.544  -3.390   3.002
   33   1HG1  ILE   4          2HG1      ILE   4   3.552  -3.508   5.871
   34   2HG1  ILE   4          1HG1      ILE   4   2.771  -2.665   4.538
   35   1HG2  ILE   4          1HG2      ILE   4   6.496  -4.616   3.788
   36   2HG2  ILE   4          2HG2      ILE   4   5.031  -5.563   4.041
   37   3HG2  ILE   4          3HG2      ILE   4   5.792  -4.736   5.401
   38   1HD1  ILE   4          1HD1      ILE   4   3.147  -5.645   4.758
   39   2HD1  ILE   4          2HD1      ILE   4   2.347  -4.795   3.433
   40   3HD1  ILE   4          3HD1      ILE   4   1.653  -4.757   5.053
   41    H    TYR   5           H        TYR   5   5.850  -0.852   2.313
   42    HA   TYR   5           HA       TYR   5   3.807   1.192   2.949
   43   1HB   TYR   5          2HB       TYR   5   6.441   1.618   1.508
   44   2HB   TYR   5          1HB       TYR   5   5.236   2.857   1.842
   45    HD1  TYR   5           HD2      TYR   5   7.715   0.590   3.393
   46    HD2  TYR   5           HD1      TYR   5   5.160   3.947   3.975
   47    HE1  TYR   5           HE2      TYR   5   8.842   1.071   5.526
   48    HE2  TYR   5           HE1      TYR   5   6.279   4.431   6.110
   49    HH   TYR   5           HH       TYR   5   7.602   3.268   7.812
   50    H    LYS   6           H        LYS   6   2.342   1.672   1.379
   51    HA   LYS   6           HA       LYS   6   2.940   0.918  -1.403
   52   1HB   LYS   6          2HB       LYS   6   1.572  -0.880  -0.291
   53   2HB   LYS   6          1HB       LYS   6   0.286   0.299  -0.083
   54   1HG   LYS   6          2HG       LYS   6   0.037   0.521  -2.476
   55   2HG   LYS   6          1HG       LYS   6   1.435  -0.522  -2.753
   56   1HD   LYS   6          2HD       LYS   6   0.231  -2.380  -1.644
   57   2HD   LYS   6          1HD       LYS   6  -1.173  -1.332  -1.450
   58   1HE   LYS   6          2HE       LYS   6  -1.438  -2.816  -3.370
   59   2HE   LYS   6          1HE       LYS   6  -1.372  -1.131  -3.877
   60   1HZ   LYS   6          1HZ       LYS   6   0.997  -2.915  -3.927
   61   2HZ   LYS   6          2HZ       LYS   6   0.809  -1.415  -4.686
   62   3HZ   LYS   6          3HZ       LYS   6  -0.055  -2.757  -5.239
   63    H    ILE   7           H        ILE   7   2.842   2.746  -2.526
   64    HA   ILE   7           HA       ILE   7   1.168   4.971  -1.704
   65    HB   ILE   7           HB       ILE   7   2.945   4.747  -4.150
   66   1HG1  ILE   7          2HG1      ILE   7   3.586   5.936  -1.433
   67   2HG1  ILE   7          1HG1      ILE   7   4.229   4.419  -2.055
   68   1HG2  ILE   7          1HG2      ILE   7   2.893   7.214  -4.111
   69   2HG2  ILE   7          2HG2      ILE   7   1.758   7.160  -2.762
   70   3HG2  ILE   7          3HG2      ILE   7   1.288   6.520  -4.337
   71   1HD1  ILE   7          1HD1      ILE   7   5.863   6.170  -2.278
   72   2HD1  ILE   7          2HD1      ILE   7   4.723   7.171  -3.173
   73   3HD1  ILE   7          3HD1      ILE   7   5.320   5.667  -3.879
   74    H    LEU   8           H        LEU   8  -0.651   5.703  -2.748
   75    HA   LEU   8           HA       LEU   8  -1.379   4.814  -5.388
   76   1HB   LEU   8          2HB       LEU   8  -3.394   3.643  -4.872
   77   2HB   LEU   8          1HB       LEU   8  -2.097   2.887  -3.970
   78    HG   LEU   8           HG       LEU   8  -4.153   4.794  -2.823
   79   1HD1  LEU   8          1HD1      LEU   8  -5.141   2.657  -3.412
   80   2HD1  LEU   8          2HD1      LEU   8  -5.016   2.812  -1.660
   81   3HD1  LEU   8          3HD1      LEU   8  -3.868   1.802  -2.540
   82   1HD2  LEU   8          1HD2      LEU   8  -2.052   4.975  -1.619
   83   2HD2  LEU   8          2HD2      LEU   8  -1.962   3.221  -1.459
   84   3HD2  LEU   8          3HD2      LEU   8  -3.239   4.118  -0.635
   85    H    SER   9           H        SER   9  -3.370   5.869  -6.170
   86    HA   SER   9           HA       SER   9  -3.651   8.549  -5.223
   87   1HB   SER   9          2HB       SER   9  -4.048   8.222  -7.550
   88   2HB   SER   9          1HB       SER   9  -5.212   6.931  -7.247
   89    HG   SER   9           HG       SER   9  -5.884   9.308  -7.716
   90    H    ARG  10           H        ARG  10  -5.481   9.556  -4.257
   91    HA   ARG  10           HA       ARG  10  -6.761   8.134  -2.204
   92   1HB   ARG  10          2HB       ARG  10  -6.477  10.630  -2.294
   93   2HB   ARG  10          1HB       ARG  10  -7.764  10.689  -3.490
   94   1HG   ARG  10          2HG       ARG  10  -8.635  11.254  -1.304
   95   2HG   ARG  10          1HG       ARG  10  -9.322   9.718  -1.839
   96   1HD   ARG  10          2HD       ARG  10  -7.611   8.536  -0.469
   97   2HD   ARG  10          1HD       ARG  10  -7.062  10.101   0.131
   98    HE   ARG  10           HE       ARG  10  -9.870   9.600   0.542
   99   1HH1  ARG  10          1HH1      ARG  10  -6.696   9.274   1.857
  100   2HH1  ARG  10          2HH1      ARG  10  -7.267   9.008   3.467
  101   1HH2  ARG  10          1HH2      ARG  10 -10.583   9.312   2.626
  102   2HH2  ARG  10          2HH2      ARG  10  -9.442   9.050   3.898
  103    H    ALA  11           H        ALA  11  -7.638   8.648  -5.551
  104    HA   ALA  11           HA       ALA  11 -10.328   7.805  -5.469
  105   1HB   ALA  11          1HB       ALA  11 -10.063   7.348  -7.867
  106   2HB   ALA  11          2HB       ALA  11  -8.313   7.507  -7.702
  107   3HB   ALA  11          3HB       ALA  11  -9.356   8.901  -7.420
  108    H    GLU  12           H        GLU  12  -7.310   5.967  -5.828
  109    HA   GLU  12           HA       GLU  12  -8.501   3.403  -6.137
  110   1HB   GLU  12          2HB       GLU  12  -5.762   4.136  -5.062
  111   2HB   GLU  12          1HB       GLU  12  -6.259   2.524  -5.558
  112   1HG   GLU  12          2HG       GLU  12  -6.125   4.923  -7.380
  113   2HG   GLU  12          1HG       GLU  12  -4.870   3.696  -7.229
  114    H    TRP  13           H        TRP  13  -7.175   5.122  -3.326
  115    HA   TRP  13           HA       TRP  13  -7.601   3.132  -1.397
  116   1HB   TRP  13          2HB       TRP  13  -6.154   5.037  -0.975
  117   2HB   TRP  13          1HB       TRP  13  -7.513   6.145  -1.106
  118    HD1  TRP  13           HD1      TRP  13  -7.987   7.058   1.222
  119    HE1  TRP  13           HE1      TRP  13  -8.160   6.100   3.603
  120    HE3  TRP  13           HE3      TRP  13  -6.742   2.196   0.224
  121    HZ2  TRP  13           HZ2      TRP  13  -7.826   3.608   4.883
  122    HZ3  TRP  13           HZ3      TRP  13  -6.698   0.587   2.087
  123    HH2  TRP  13           HH2      TRP  13  -7.229   1.281   4.368
  124    H    ASP  14           H        ASP  14  -9.695   5.920  -2.242
  125    HA   ASP  14           HA       ASP  14 -11.803   5.221  -0.509
  126   1HB   ASP  14          2HB       ASP  14 -11.480   7.069  -2.810
  127   2HB   ASP  14          1HB       ASP  14 -13.131   6.600  -2.411
  128    H    ALA  15           H        ALA  15 -11.047   4.118  -3.770
  129    HA   ALA  15           HA       ALA  15 -13.515   2.870  -4.355
  130   1HB   ALA  15          1HB       ALA  15 -11.754   3.255  -6.034
  131   2HB   ALA  15          2HB       ALA  15 -12.285   1.573  -6.008
  132   3HB   ALA  15          3HB       ALA  15 -10.755   2.028  -5.255
  133    H    ALA  16           H        ALA  16 -10.568   1.593  -2.824
  134    HA   ALA  16           HA       ALA  16 -11.667  -0.984  -2.245
  135   1HB   ALA  16          1HB       ALA  16  -9.309   0.406  -0.969
  136   2HB   ALA  16          2HB       ALA  16  -9.249  -0.563  -2.441
  137   3HB   ALA  16          3HB       ALA  16  -9.672  -1.321  -0.906
  138    H    LYS  17           H        LYS  17 -11.279   1.999  -0.399
  139    HA   LYS  17           HA       LYS  17 -12.185   1.014   2.097
  140   1HB   LYS  17          2HB       LYS  17 -10.815   3.046   1.838
  141   2HB   LYS  17          1HB       LYS  17 -12.151   3.848   1.027
  142   1HG   LYS  17          2HG       LYS  17 -13.454   3.862   3.038
  143   2HG   LYS  17          1HG       LYS  17 -12.280   2.837   3.866
  144   1HD   LYS  17          2HD       LYS  17 -12.065   5.200   4.532
  145   2HD   LYS  17          1HD       LYS  17 -10.607   4.602   3.744
  146   1HE   LYS  17          2HE       LYS  17 -11.097   6.821   2.928
  147   2HE   LYS  17          1HE       LYS  17 -11.357   5.658   1.630
  148   1HZ   LYS  17          1HZ       LYS  17 -13.136   7.226   1.644
  149   2HZ   LYS  17          2HZ       LYS  17 -13.439   6.968   3.287
  150   3HZ   LYS  17          3HZ       LYS  17 -13.753   5.741   2.170
  151    H    ALA  18           H        ALA  18 -13.868   2.238  -0.721
  152    HA   ALA  18           HA       ALA  18 -16.389   2.754   0.431
  153   1HB   ALA  18          1HB       ALA  18 -17.285   2.506  -1.842
  154   2HB   ALA  18          2HB       ALA  18 -15.752   1.808  -2.368
  155   3HB   ALA  18          3HB       ALA  18 -15.817   3.485  -1.827
  156    H    GLN  19           H        GLN  19 -15.102  -0.212  -1.069
  157    HA   GLN  19           HA       GLN  19 -17.392  -1.774  -0.215
  158   1HB   GLN  19          2HB       GLN  19 -16.097  -3.698  -1.189
  159   2HB   GLN  19          1HB       GLN  19 -16.444  -2.396  -2.319
  160   1HG   GLN  19          2HG       GLN  19 -14.160  -1.551  -2.032
  161   2HG   GLN  19          1HG       GLN  19 -13.817  -2.878  -0.923
  162   1HE2  GLN  19          1HE2      GLN  19 -12.599  -2.176  -3.508
  163   2HE2  GLN  19          2HE2      GLN  19 -12.760  -3.578  -4.500
  164    H    GLY  20           H        GLY  20 -14.332  -0.904   1.084
  165   1HA   GLY  20          2HA       GLY  20 -13.789  -1.178   3.369
  166   2HA   GLY  20          1HA       GLY  20 -14.875  -2.554   3.447
  167    H    ARG  21           H        ARG  21 -13.061  -2.965   0.707
  168    HA   ARG  21           HA       ARG  21 -10.858  -4.326   2.097
  169   1HB   ARG  21          2HB       ARG  21 -11.231  -6.413   0.925
  170   2HB   ARG  21          1HB       ARG  21 -12.679  -5.982   1.827
  171   1HG   ARG  21          2HG       ARG  21 -13.702  -5.138  -0.248
  172   2HG   ARG  21          1HG       ARG  21 -12.256  -5.613  -1.139
  173   1HD   ARG  21          2HD       ARG  21 -12.645  -7.958  -0.399
  174   2HD   ARG  21          1HD       ARG  21 -14.163  -7.433   0.329
  175    HE   ARG  21           HE       ARG  21 -13.632  -7.111  -2.556
  176   1HH1  ARG  21          1HH1      ARG  21 -15.652  -8.176   0.026
  177   2HH1  ARG  21          2HH1      ARG  21 -16.897  -8.722  -1.039
  178   1HH2  ARG  21          1HH2      ARG  21 -15.252  -7.777  -3.896
  179   2HH2  ARG  21          2HH2      ARG  21 -16.694  -8.463  -3.231
  180    H    PHE  22           H        PHE  22  -8.963  -4.286   1.033
  181    HA   PHE  22           HA       PHE  22  -8.906  -3.295  -1.735
  182   1HB   PHE  22          2HB       PHE  22  -7.576  -2.030  -0.062
  183   2HB   PHE  22          1HB       PHE  22  -6.653  -3.485   0.290
  184    HD1  PHE  22           HD2      PHE  22  -7.498  -1.136  -2.469
  185    HD2  PHE  22           HD1      PHE  22  -4.710  -3.965  -0.933
  186    HE1  PHE  22           HE2      PHE  22  -5.919  -0.548  -4.258
  187    HE2  PHE  22           HE1      PHE  22  -3.132  -3.384  -2.720
  188    HZ   PHE  22           HZ       PHE  22  -3.733  -1.674  -4.387
  189    H    GLU  23           H        GLU  23  -9.261  -5.136  -2.934
  190    HA   GLU  23           HA       GLU  23  -7.742  -7.565  -2.418
  191   1HB   GLU  23          2HB       GLU  23  -9.703  -6.892  -4.629
  192   2HB   GLU  23          1HB       GLU  23  -8.991  -8.478  -4.357
  193   1HG   GLU  23          2HG       GLU  23 -10.070  -8.565  -2.143
  194   2HG   GLU  23          1HG       GLU  23 -10.814  -6.998  -2.457
  195    H    GLY  24           H        GLY  24  -7.060  -4.702  -3.853
  196   1HA   GLY  24          2HA       GLY  24  -4.769  -4.496  -4.704
  197   2HA   GLY  24          1HA       GLY  24  -5.068  -5.937  -5.659
  198    H    SER  25           H        SER  25  -4.238  -3.182  -6.451
  199    HA   SER  25           HA       SER  25  -6.371  -2.124  -8.047
  200   1HB   SER  25          2HB       SER  25  -3.370  -1.717  -8.244
  201   2HB   SER  25          1HB       SER  25  -4.570  -0.793  -9.148
  202    HG   SER  25           HG       SER  25  -5.045   0.321  -7.406
  203    H    ALA  26           H        ALA  26  -5.668  -1.851 -10.585
  204    HA   ALA  26           HA       ALA  26  -6.383  -4.169 -11.839
  205   1HB   ALA  26          1HB       ALA  26  -6.331  -1.971 -12.928
  206   2HB   ALA  26          2HB       ALA  26  -5.575  -3.216 -13.921
  207   3HB   ALA  26          3HB       ALA  26  -4.574  -2.068 -13.031
  208    H    VAL  27           H        VAL  27  -2.997  -3.097 -11.376
  209    HA   VAL  27           HA       VAL  27  -1.838  -5.403 -12.571
  210    HB   VAL  27           HB       VAL  27  -0.587  -3.517 -10.558
  211   1HG1  VAL  27          1HG1      VAL  27   1.555  -4.284 -11.473
  212   2HG1  VAL  27          2HG1      VAL  27   0.707  -5.419 -12.522
  213   3HG1  VAL  27          3HG1      VAL  27   0.648  -5.624 -10.772
  214   1HG2  VAL  27          1HG2      VAL  27  -0.515  -3.443 -13.580
  215   2HG2  VAL  27          2HG2      VAL  27   0.329  -2.339 -12.493
  216   3HG2  VAL  27          3HG2      VAL  27  -1.434  -2.348 -12.547
  217    H    ASP  28           H        ASP  28  -2.140  -4.503  -9.108
  218    HA   ASP  28           HA       ASP  28  -1.009  -6.781  -7.993
  219   1HB   ASP  28          2HB       ASP  28  -3.248  -5.090  -6.854
  220   2HB   ASP  28          1HB       ASP  28  -2.219  -6.185  -5.932
  221    H    LEU  29           H        LEU  29  -4.483  -6.187  -8.576
  222    HA   LEU  29           HA       LEU  29  -5.398  -8.688  -7.677
  223   1HB   LEU  29          2HB       LEU  29  -6.817  -6.674  -8.020
  224   2HB   LEU  29          1HB       LEU  29  -6.659  -6.886  -9.754
  225    HG   LEU  29           HG       LEU  29  -7.823  -9.067  -9.582
  226   1HD1  LEU  29          1HD1      LEU  29  -8.959  -9.682  -7.504
  227   2HD1  LEU  29          2HD1      LEU  29  -8.193  -8.326  -6.677
  228   3HD1  LEU  29          3HD1      LEU  29  -7.209  -9.652  -7.296
  229   1HD2  LEU  29          1HD2      LEU  29  -9.357  -6.769  -8.357
  230   2HD2  LEU  29          2HD2      LEU  29 -10.052  -8.178  -9.160
  231   3HD2  LEU  29          3HD2      LEU  29  -9.088  -7.025 -10.082
  232    H    ALA  30           H        ALA  30  -4.329  -7.604 -10.883
  233    HA   ALA  30           HA       ALA  30  -4.984  -9.874 -12.381
  234   1HB   ALA  30          1HB       ALA  30  -4.174  -7.756 -13.343
  235   2HB   ALA  30          2HB       ALA  30  -3.284  -9.151 -13.952
  236   3HB   ALA  30          3HB       ALA  30  -2.559  -8.108 -12.726
  237    H    ASP  31           H        ASP  31  -2.152  -9.229 -10.352
  238    HA   ASP  31           HA       ASP  31  -0.928 -11.786 -10.881
  239   1HB   ASP  31          2HB       ASP  31  -0.383  -9.690  -8.759
  240   2HB   ASP  31          1HB       ASP  31   0.584 -11.147  -8.977
  241    H    GLY  32           H        GLY  32  -3.132 -10.472  -8.496
  242   1HA   GLY  32          2HA       GLY  32  -4.517 -11.675  -7.040
  243   2HA   GLY  32          1HA       GLY  32  -3.591 -13.128  -7.381
  244    H    PHE  33           H        PHE  33  -1.290 -10.943  -6.822
  245    HA   PHE  33           HA       PHE  33  -1.248 -11.364  -3.899
  246   1HB   PHE  33          2HB       PHE  33   1.184 -11.388  -5.707
  247   2HB   PHE  33          1HB       PHE  33   1.126 -11.786  -3.993
  248    HD1  PHE  33           HD1      PHE  33  -0.733 -13.715  -3.491
  249    HD2  PHE  33           HD2      PHE  33   1.420 -13.177  -7.130
  250    HE1  PHE  33           HE1      PHE  33  -1.087 -16.083  -4.051
  251    HE2  PHE  33           HE2      PHE  33   1.073 -15.545  -7.688
  252    HZ   PHE  33           HZ       PHE  33  -0.185 -16.999  -6.149
  253    H    ILE  34           H        ILE  34  -1.458  -9.425  -2.952
  254    HA   ILE  34           HA       ILE  34  -1.063  -6.951  -4.247
  255    HB   ILE  34           HB       ILE  34  -1.184  -7.507  -1.270
  256   1HG1  ILE  34          2HG1      ILE  34  -3.371  -6.729  -3.227
  257   2HG1  ILE  34          1HG1      ILE  34  -3.164  -8.323  -2.508
  258   1HG2  ILE  34          1HG2      ILE  34  -1.627  -4.920  -2.777
  259   2HG2  ILE  34          2HG2      ILE  34  -0.238  -5.298  -1.758
  260   3HG2  ILE  34          3HG2      ILE  34  -1.843  -5.157  -1.041
  261   1HD1  ILE  34          1HD1      ILE  34  -4.923  -7.101  -1.396
  262   2HD1  ILE  34          2HD1      ILE  34  -3.814  -5.779  -1.038
  263   3HD1  ILE  34          3HD1      ILE  34  -3.572  -7.359  -0.293
  264    H    HIS  35           H        HIS  35   0.828  -6.079  -4.845
  265    HA   HIS  35           HA       HIS  35   3.243  -6.765  -3.300
  266   1HB   HIS  35          2HB       HIS  35   4.355  -5.789  -5.505
  267   2HB   HIS  35          1HB       HIS  35   3.797  -7.452  -5.404
  268    HD1  HIS  35           HD1      HIS  35   2.864  -4.131  -6.914
  269    HD2  HIS  35           HD2      HIS  35   1.767  -8.128  -7.156
  270    HE1  HIS  35           HE1      HIS  35   1.389  -4.300  -8.933
  271    HE2  HIS  35           HE2      HIS  35   0.961  -6.771  -9.198
  272    H    LEU  36           H        LEU  36   4.217  -5.310  -2.107
  273    HA   LEU  36           HA       LEU  36   3.569  -2.455  -2.495
  274   1HB   LEU  36          2HB       LEU  36   4.519  -3.842   0.026
  275   2HB   LEU  36          1HB       LEU  36   4.103  -2.147  -0.125
  276    HG   LEU  36           HG       LEU  36   1.745  -2.964  -0.772
  277   1HD1  LEU  36          1HD1      LEU  36   1.090  -5.142   0.123
  278   2HD1  LEU  36          2HD1      LEU  36   2.773  -5.493   0.518
  279   3HD1  LEU  36          3HD1      LEU  36   2.283  -5.307  -1.165
  280   1HD2  LEU  36          1HD2      LEU  36   1.080  -3.141   1.578
  281   2HD2  LEU  36          2HD2      LEU  36   2.250  -1.846   1.328
  282   3HD2  LEU  36          3HD2      LEU  36   2.768  -3.375   2.039
  283    H    SER  37           H        SER  37   5.348  -0.935  -1.716
  284    HA   SER  37           HA       SER  37   7.965  -1.934  -2.673
  285   1HB   SER  37          2HB       SER  37   6.871   0.896  -2.726
  286   2HB   SER  37          1HB       SER  37   8.464   0.408  -3.300
  287    HG   SER  37           HG       SER  37   7.259   0.364  -5.104
  288    H    ALA  38           H        ALA  38   9.454  -2.178  -1.125
  289    HA   ALA  38           HA       ALA  38   8.994  -1.098   1.520
  290   1HB   ALA  38          1HB       ALA  38  11.218  -2.870   0.514
  291   2HB   ALA  38          2HB       ALA  38   9.701  -3.415   1.233
  292   3HB   ALA  38          3HB       ALA  38  10.860  -2.505   2.203
  293    H    GLY  39           H        GLY  39   9.906   0.639   2.401
  294   1HA   GLY  39          2HA       GLY  39  11.377   2.308   2.925
  295   2HA   GLY  39          1HA       GLY  39  12.626   1.193   2.409
  296    H    GLU  40           H        GLU  40  13.990   2.164   1.079
  297    HA   GLU  40           HA       GLU  40  13.428   4.630  -0.197
  298   1HB   GLU  40          2HB       GLU  40  15.745   2.717  -0.575
  299   2HB   GLU  40          1HB       GLU  40  15.687   4.358  -1.208
  300   1HG   GLU  40          2HG       GLU  40  15.545   5.245   1.063
  301   2HG   GLU  40          1HG       GLU  40  15.562   3.608   1.713
  302    H    GLN  41           H        GLN  41  12.975   1.368  -1.232
  303    HA   GLN  41           HA       GLN  41  12.891   1.842  -4.040
  304   1HB   GLN  41          2HB       GLN  41  11.577  -0.297  -2.347
  305   2HB   GLN  41          1HB       GLN  41  11.581  -0.296  -4.107
  306   1HG   GLN  41          2HG       GLN  41  14.013  -0.460  -4.120
  307   2HG   GLN  41          1HG       GLN  41  14.039  -0.400  -2.358
  308   1HE2  GLN  41          1HE2      GLN  41  11.688  -2.068  -2.066
  309   2HE2  GLN  41          2HE2      GLN  41  12.175  -3.673  -2.451
  310    H    ALA  42           H        ALA  42  10.579   2.264  -1.430
  311    HA   ALA  42           HA       ALA  42   8.266   2.692  -3.021
  312   1HB   ALA  42          1HB       ALA  42   7.304   3.728  -1.038
  313   2HB   ALA  42          2HB       ALA  42   8.900   3.830  -0.295
  314   3HB   ALA  42          3HB       ALA  42   8.171   2.255  -0.599
  315    H    GLN  43           H        GLN  43  10.690   4.920  -1.676
  316    HA   GLN  43           HA       GLN  43   9.668   7.302  -2.762
  317   1HB   GLN  43          2HB       GLN  43  11.353   7.354  -1.035
  318   2HB   GLN  43          1HB       GLN  43  12.497   6.502  -2.059
  319   1HG   GLN  43          2HG       GLN  43  12.968   8.918  -1.833
  320   2HG   GLN  43          1HG       GLN  43  12.733   8.397  -3.498
  321   1HE2  GLN  43          1HE2      GLN  43  10.058   8.875  -1.292
  322   2HE2  GLN  43          2HE2      GLN  43   9.423  10.267  -2.090
  323    H    GLU  44           H        GLU  44  11.966   4.941  -4.123
  324    HA   GLU  44           HA       GLU  44  12.450   6.252  -6.557
  325   1HB   GLU  44          2HB       GLU  44  13.698   4.242  -5.745
  326   2HB   GLU  44          1HB       GLU  44  12.292   3.255  -6.128
  327   1HG   GLU  44          2HG       GLU  44  12.493   4.033  -8.501
  328   2HG   GLU  44          1HG       GLU  44  14.010   4.811  -8.056
  329    H    THR  45           H        THR  45   9.974   3.790  -5.757
  330    HA   THR  45           HA       THR  45   8.664   3.724  -8.230
  331    HB   THR  45           HB       THR  45   7.351   3.381  -5.514
  332    HG1  THR  45           HG1      THR  45   9.074   1.904  -5.783
  333   1HG2  THR  45          1HG2      THR  45   6.519   2.398  -8.256
  334   2HG2  THR  45          2HG2      THR  45   5.727   3.673  -7.330
  335   3HG2  THR  45          3HG2      THR  45   5.710   2.011  -6.736
  336    H    ALA  46           H        ALA  46   8.287   5.937  -5.509
  337    HA   ALA  46           HA       ALA  46   6.085   7.412  -6.405
  338   1HB   ALA  46          1HB       ALA  46   6.924   9.213  -4.974
  339   2HB   ALA  46          2HB       ALA  46   8.484   8.400  -4.853
  340   3HB   ALA  46          3HB       ALA  46   7.044   7.653  -4.162
  341    H    ALA  47           H        ALA  47   9.536   7.741  -7.163
  342    HA   ALA  47           HA       ALA  47   9.094   9.990  -8.942
  343   1HB   ALA  47          1HB       ALA  47  11.133   9.873  -7.599
  344   2HB   ALA  47          2HB       ALA  47  11.516   9.880  -9.321
  345   3HB   ALA  47          3HB       ALA  47  11.590   8.373  -8.405
  346    H    LYS  48           H        LYS  48   8.872   6.625  -9.243
  347    HA   LYS  48           HA       LYS  48   9.507   6.520 -12.072
  348   1HB   LYS  48          2HB       LYS  48   8.500   4.473 -10.090
  349   2HB   LYS  48          1HB       LYS  48   8.734   4.128 -11.789
  350   1HG   LYS  48          2HG       LYS  48  10.909   5.031  -9.913
  351   2HG   LYS  48          1HG       LYS  48  10.598   3.356 -10.367
  352   1HD   LYS  48          2HD       LYS  48  11.022   3.941 -12.728
  353   2HD   LYS  48          1HD       LYS  48  11.377   5.597 -12.238
  354   1HE   LYS  48          2HE       LYS  48  13.431   4.323 -12.574
  355   2HE   LYS  48          1HE       LYS  48  13.254   4.806 -10.887
  356   1HZ   LYS  48          1HZ       LYS  48  12.465   2.132 -11.894
  357   2HZ   LYS  48          2HZ       LYS  48  12.646   2.616 -10.282
  358   3HZ   LYS  48          3HZ       LYS  48  14.002   2.469 -11.279
  359    H    TRP  49           H        TRP  49   6.610   5.755 -10.097
  360    HA   TRP  49           HA       TRP  49   4.974   6.027 -12.530
  361   1HB   TRP  49          2HB       TRP  49   4.485   4.366 -10.052
  362   2HB   TRP  49          1HB       TRP  49   3.371   4.494 -11.411
  363    HD1  TRP  49           HD1      TRP  49   6.442   2.649 -10.265
  364    HE1  TRP  49           HE1      TRP  49   7.169   0.975 -12.080
  365    HE3  TRP  49           HE3      TRP  49   3.431   4.232 -14.084
  366    HZ2  TRP  49           HZ2      TRP  49   6.550   0.404 -14.770
  367    HZ3  TRP  49           HZ3      TRP  49   3.562   3.067 -16.247
  368    HH2  TRP  49           HH2      TRP  49   5.091   1.192 -16.582
  369    H    PHE  50           H        PHE  50   5.091   6.964  -9.101
  370    HA   PHE  50           HA       PHE  50   2.398   8.128  -9.315
  371   1HB   PHE  50          2HB       PHE  50   4.129   7.570  -6.895
  372   2HB   PHE  50          1HB       PHE  50   2.517   8.280  -6.830
  373    HD1  PHE  50           HD1      PHE  50   0.546   6.939  -7.550
  374    HD2  PHE  50           HD2      PHE  50   4.429   5.220  -7.167
  375    HE1  PHE  50           HE1      PHE  50  -0.452   4.689  -7.523
  376    HE2  PHE  50           HE2      PHE  50   3.432   2.972  -7.139
  377    HZ   PHE  50           HZ       PHE  50   0.991   2.703  -7.318
  378    H    ARG  51           H        ARG  51   5.079   9.381 -10.243
  379    HA   ARG  51           HA       ARG  51   5.359  11.742  -8.634
  380   1HB   ARG  51          2HB       ARG  51   6.898  12.501 -10.390
  381   2HB   ARG  51          1HB       ARG  51   7.253  10.850  -9.890
  382   1HG   ARG  51          2HG       ARG  51   6.058  10.012 -11.876
  383   2HG   ARG  51          1HG       ARG  51   5.765  11.677 -12.386
  384   1HD   ARG  51          2HD       ARG  51   8.192  12.049 -12.497
  385   2HD   ARG  51          1HD       ARG  51   8.462  10.370 -12.024
  386    HE   ARG  51           HE       ARG  51   6.934  10.977 -14.453
  387   1HH1  ARG  51          1HH1      ARG  51   9.681   9.574 -12.933
  388   2HH1  ARG  51          2HH1      ARG  51  10.220   8.801 -14.381
  389   1HH2  ARG  51          1HH2      ARG  51   7.611   9.980 -16.290
  390   2HH2  ARG  51          2HH2      ARG  51   9.047   9.013 -16.265
  391    H    GLY  52           H        GLY  52   4.575  13.782  -8.968
  392   1HA   GLY  52          2HA       GLY  52   3.313  15.499  -9.812
  393   2HA   GLY  52          1HA       GLY  52   3.534  14.765 -11.387
  394    H    GLN  53           H        GLN  53   1.935  12.899  -8.912
  395    HA   GLN  53           HA       GLN  53  -0.600  13.205 -10.367
  396   1HB   GLN  53          2HB       GLN  53   0.276  11.126  -8.350
  397   2HB   GLN  53          1HB       GLN  53  -1.319  11.182  -9.089
  398   1HG   GLN  53          2HG       GLN  53  -0.205  10.964 -11.319
  399   2HG   GLN  53          1HG       GLN  53   1.316  10.703 -10.469
  400   1HE2  GLN  53          1HE2      GLN  53   1.542   8.624 -11.304
  401   2HE2  GLN  53          2HE2      GLN  53   0.559   7.307 -10.779
  402    H    ALA  54           H        ALA  54  -2.527  13.772  -9.367
  403    HA   ALA  54           HA       ALA  54  -2.234  15.365  -6.941
  404   1HB   ALA  54          1HB       ALA  54  -4.471  16.205  -7.452
  405   2HB   ALA  54          2HB       ALA  54  -4.616  15.040  -8.770
  406   3HB   ALA  54          3HB       ALA  54  -3.411  16.325  -8.859
  407    H    ASN  55           H        ASN  55  -3.268  15.025  -5.028
  408    HA   ASN  55           HA       ASN  55  -4.269  13.952  -3.306
  409   1HB   ASN  55          2HB       ASN  55  -6.043  12.849  -5.502
  410   2HB   ASN  55          1HB       ASN  55  -6.395  12.765  -3.777
  411   1HD2  ASN  55          1HD2      ASN  55  -8.305  13.955  -4.122
  412   2HD2  ASN  55          2HD2      ASN  55  -8.259  15.664  -4.365
  413    H    LEU  56           H        LEU  56  -2.358  12.728  -2.879
  414    HA   LEU  56           HA       LEU  56  -2.481   9.892  -3.699
  415   1HB   LEU  56          2HB       LEU  56  -0.083  11.580  -2.962
  416   2HB   LEU  56          1HB       LEU  56  -0.022   9.856  -3.277
  417    HG   LEU  56           HG       LEU  56  -0.823  11.970  -5.288
  418   1HD1  LEU  56          1HD1      LEU  56   1.299  11.445  -6.384
  419   2HD1  LEU  56          2HD1      LEU  56   1.715  10.354  -5.061
  420   3HD1  LEU  56          3HD1      LEU  56   1.549  12.085  -4.759
  421   1HD2  LEU  56          1HD2      LEU  56  -0.435   8.991  -5.602
  422   2HD2  LEU  56          2HD2      LEU  56  -0.703  10.130  -6.922
  423   3HD2  LEU  56          3HD2      LEU  56  -1.962   9.869  -5.714
  424    H    VAL  57           H        VAL  57  -1.930   8.285  -2.174
  425    HA   VAL  57           HA       VAL  57  -1.936   9.103   0.663
  426    HB   VAL  57           HB       VAL  57  -3.473   6.746  -0.476
  427   1HG1  VAL  57          1HG1      VAL  57  -4.402   6.538   1.794
  428   2HG1  VAL  57          2HG1      VAL  57  -3.344   7.840   2.340
  429   3HG1  VAL  57          3HG1      VAL  57  -2.652   6.319   1.778
  430   1HG2  VAL  57          1HG2      VAL  57  -4.496   9.381   0.591
  431   2HG2  VAL  57          2HG2      VAL  57  -5.497   8.000   0.142
  432   3HG2  VAL  57          3HG2      VAL  57  -4.549   8.839  -1.087
  433    H    LEU  58           H        LEU  58  -0.605   7.909   2.015
  434    HA   LEU  58           HA       LEU  58   0.976   5.752   0.759
  435   1HB   LEU  58          2HB       LEU  58   2.329   7.671   1.439
  436   2HB   LEU  58          1HB       LEU  58   1.687   7.572   3.069
  437    HG   LEU  58           HG       LEU  58   2.778   5.366   3.359
  438   1HD1  LEU  58          1HD1      LEU  58   2.778   4.647   1.028
  439   2HD1  LEU  58          2HD1      LEU  58   4.397   4.567   1.722
  440   3HD1  LEU  58          3HD1      LEU  58   3.967   5.890   0.636
  441   1HD2  LEU  58          1HD2      LEU  58   3.943   7.380   4.084
  442   2HD2  LEU  58          2HD2      LEU  58   4.652   7.567   2.481
  443   3HD2  LEU  58          3HD2      LEU  58   5.085   6.180   3.481
  444    H    LEU  59           H        LEU  59  -0.024   3.876   1.280
  445    HA   LEU  59           HA       LEU  59  -1.215   3.448   3.873
  446   1HB   LEU  59          2HB       LEU  59  -0.691   1.510   1.612
  447   2HB   LEU  59          1HB       LEU  59  -1.629   1.152   3.052
  448    HG   LEU  59           HG       LEU  59  -2.337   3.170   0.912
  449   1HD1  LEU  59          1HD1      LEU  59  -3.604   0.530   1.654
  450   2HD1  LEU  59          2HD1      LEU  59  -2.674   0.873   0.193
  451   3HD1  LEU  59          3HD1      LEU  59  -4.223   1.673   0.459
  452   1HD2  LEU  59          1HD2      LEU  59  -3.830   2.427   3.434
  453   2HD2  LEU  59          2HD2      LEU  59  -4.445   3.459   2.142
  454   3HD2  LEU  59          3HD2      LEU  59  -3.056   3.976   3.094
  455    H    ALA  60           H        ALA  60   0.079   3.226   5.575
  456    HA   ALA  60           HA       ALA  60   2.525   1.588   5.343
  457   1HB   ALA  60          1HB       ALA  60   1.788   3.658   7.417
  458   2HB   ALA  60          2HB       ALA  60   2.915   3.881   6.079
  459   3HB   ALA  60          3HB       ALA  60   3.293   2.739   7.369
  460    H    VAL  61           H        VAL  61   2.368  -0.420   6.110
  461    HA   VAL  61           HA       VAL  61   0.602  -0.943   8.428
  462    HB   VAL  61           HB       VAL  61   1.088  -2.852   6.121
  463   1HG1  VAL  61          1HG1      VAL  61  -0.716  -4.182   7.163
  464   2HG1  VAL  61          2HG1      VAL  61  -0.745  -3.052   8.517
  465   3HG1  VAL  61          3HG1      VAL  61   0.695  -4.024   8.209
  466   1HG2  VAL  61          1HG2      VAL  61  -0.291  -0.998   5.371
  467   2HG2  VAL  61          2HG2      VAL  61  -1.357  -1.192   6.761
  468   3HG2  VAL  61          3HG2      VAL  61  -1.278  -2.452   5.528
  469    H    GLU  62           H        GLU  62   1.397  -2.316  10.022
  470    HA   GLU  62           HA       GLU  62   4.229  -2.746  10.123
  471   1HB   GLU  62          2HB       GLU  62   2.995  -2.320  12.180
  472   2HB   GLU  62          1HB       GLU  62   2.020  -3.763  11.931
  473   1HG   GLU  62          2HG       GLU  62   4.023  -5.159  12.171
  474   2HG   GLU  62          1HG       GLU  62   4.994  -3.710  12.424
  475    H    ALA  63           H        ALA  63   5.377  -4.433   9.421
  476    HA   ALA  63           HA       ALA  63   4.040  -6.581   8.018
  477   1HB   ALA  63          1HB       ALA  63   6.989  -6.077   8.393
  478   2HB   ALA  63          2HB       ALA  63   6.004  -5.432   7.082
  479   3HB   ALA  63          3HB       ALA  63   6.249  -7.173   7.225
  480    H    GLU  64           H        GLU  64   3.631  -6.697  10.847
  481    HA   GLU  64           HA       GLU  64   5.297  -8.590  12.121
  482   1HB   GLU  64          2HB       GLU  64   3.584  -6.968  13.152
  483   2HB   GLU  64          1HB       GLU  64   2.366  -8.154  12.724
  484   1HG   GLU  64          2HG       GLU  64   4.739  -8.839  14.440
  485   2HG   GLU  64          1HG       GLU  64   3.258  -8.167  15.110
  486    HA   PRO  65           HA       PRO  65   4.419 -12.123   9.514
  487   1HB   PRO  65          2HB       PRO  65   5.167 -13.535  12.045
  488   2HB   PRO  65          1HB       PRO  65   5.732 -13.806  10.390
  489   1HG   PRO  65          2HG       PRO  65   7.242 -12.491  12.159
  490   2HG   PRO  65          1HG       PRO  65   7.195 -12.009  10.453
  491   1HD   PRO  65          2HD       PRO  65   5.951 -10.695  12.818
  492   2HD   PRO  65          1HD       PRO  65   6.558  -9.977  11.319
  493    H    LEU  66           H        LEU  66   2.096 -11.559   9.663
  494    HA   LEU  66           HA       LEU  66   0.248 -12.727  11.362
  495   1HB   LEU  66          2HB       LEU  66  -0.054 -12.649   8.347
  496   2HB   LEU  66          1HB       LEU  66  -1.342 -12.741   9.527
  497    HG   LEU  66           HG       LEU  66  -0.239 -10.393  10.280
  498   1HD1  LEU  66          1HD1      LEU  66   1.476 -10.246   8.644
  499   2HD1  LEU  66          2HD1      LEU  66   0.219  -9.118   8.150
  500   3HD1  LEU  66          3HD1      LEU  66   0.372 -10.679   7.342
  501   1HD2  LEU  66          1HD2      LEU  66  -2.243 -10.776   8.049
  502   2HD2  LEU  66          2HD2      LEU  66  -2.009  -9.293   8.976
  503   3HD2  LEU  66          3HD2      LEU  66  -2.592 -10.751   9.779
  504    H    GLY  67           H        GLY  67   1.527 -14.121   8.363
  505   1HA   GLY  67          2HA       GLY  67   1.880 -16.722   9.530
  506   2HA   GLY  67          1HA       GLY  67   0.517 -16.659   8.419
  507    H    GLU  68           H        GLU  68   1.265 -17.802   6.706
  508    HA   GLU  68           HA       GLU  68   3.918 -17.227   5.609
  509   1HB   GLU  68          2HB       GLU  68   3.139 -19.567   5.905
  510   2HB   GLU  68          1HB       GLU  68   1.841 -19.264   4.761
  511   1HG   GLU  68          2HG       GLU  68   3.572 -18.780   3.029
  512   2HG   GLU  68          1HG       GLU  68   4.802 -19.279   4.193
  513    H    ASP  69           H        ASP  69   1.133 -15.669   5.381
  514    HA   ASP  69           HA       ASP  69   0.739 -15.550   2.519
  515   1HB   ASP  69          2HB       ASP  69  -0.924 -13.707   3.240
  516   2HB   ASP  69          1HB       ASP  69  -1.256 -15.369   3.726
  517    H    LEU  70           H        LEU  70   1.892 -13.258   5.016
  518    HA   LEU  70           HA       LEU  70   2.735 -11.345   3.023
  519   1HB   LEU  70          2HB       LEU  70   1.984 -10.572   5.210
  520   2HB   LEU  70          1HB       LEU  70   3.262 -11.478   5.998
  521    HG   LEU  70           HG       LEU  70   4.955 -10.029   4.961
  522   1HD1  LEU  70          1HD1      LEU  70   3.787  -9.481   2.890
  523   2HD1  LEU  70          2HD1      LEU  70   4.300  -8.017   3.729
  524   3HD1  LEU  70          3HD1      LEU  70   2.611  -8.522   3.791
  525   1HD2  LEU  70          1HD2      LEU  70   2.774  -8.491   6.372
  526   2HD2  LEU  70          2HD2      LEU  70   4.456  -7.984   6.203
  527   3HD2  LEU  70          3HD2      LEU  70   4.059  -9.422   7.142
  528    H    LYS  71           H        LYS  71   4.360 -11.991   1.720
  529    HA   LYS  71           HA       LYS  71   6.736 -13.246   2.959
  530   1HB   LYS  71          2HB       LYS  71   5.548 -14.685   1.349
  531   2HB   LYS  71          1HB       LYS  71   5.745 -13.459   0.103
  532   1HG   LYS  71          2HG       LYS  71   8.244 -13.708   0.421
  533   2HG   LYS  71          1HG       LYS  71   7.887 -15.118   1.420
  534   1HD   LYS  71          2HD       LYS  71   8.388 -15.849  -0.828
  535   2HD   LYS  71          1HD       LYS  71   6.672 -16.117  -0.513
  536   1HE   LYS  71          2HE       LYS  71   6.107 -14.096  -1.743
  537   2HE   LYS  71          1HE       LYS  71   7.816 -13.741  -1.986
  538   1HZ   LYS  71          1HZ       LYS  71   6.302 -16.034  -3.107
  539   2HZ   LYS  71          2HZ       LYS  71   7.977 -15.842  -3.243
  540   3HZ   LYS  71          3HZ       LYS  71   6.939 -14.716  -3.958
  541    H    TRP  72           H        TRP  72   8.394 -11.844   3.162
  542    HA   TRP  72           HA       TRP  72   8.821  -9.599   1.439
  543   1HB   TRP  72          2HB       TRP  72  10.616 -10.989   3.444
  544   2HB   TRP  72          1HB       TRP  72  11.125  -9.578   2.523
  545    HD1  TRP  72           HD1      TRP  72   8.746 -10.600   5.357
  546    HE1  TRP  72           HE1      TRP  72   8.021  -8.474   6.617
  547    HE3  TRP  72           HE3      TRP  72  10.790  -7.084   2.262
  548    HZ2  TRP  72           HZ2      TRP  72   8.285  -5.683   6.339
  549    HZ3  TRP  72           HZ3      TRP  72  10.511  -4.705   2.833
  550    HH2  TRP  72           HH2      TRP  72   9.282  -4.020   4.831
  551    H    GLU  73           H        GLU  73   9.074 -10.063  -0.686
  552    HA   GLU  73           HA       GLU  73  10.625 -12.430  -1.460
  553   1HB   GLU  73          2HB       GLU  73   8.299 -12.158  -2.303
  554   2HB   GLU  73          1HB       GLU  73   8.799 -10.695  -3.139
  555   1HG   GLU  73          2HG       GLU  73  10.426 -12.061  -4.437
  556   2HG   GLU  73          1HG       GLU  73   9.758 -13.502  -3.670
  557    H    ALA  74           H        ALA  74  12.597 -12.266  -2.344
  558    HA   ALA  74           HA       ALA  74  13.586  -9.690  -3.307
  559   1HB   ALA  74          1HB       ALA  74  14.986 -12.362  -3.104
  560   2HB   ALA  74          2HB       ALA  74  15.077 -11.053  -1.926
  561   3HB   ALA  74          3HB       ALA  74  15.744 -10.831  -3.543
  562    H    SER  75           H        SER  75  12.229  -9.450  -5.135
  563    HA   SER  75           HA       SER  75  11.788 -11.410  -7.104
  564   1HB   SER  75          2HB       SER  75  11.660  -8.390  -7.354
  565   2HB   SER  75          1HB       SER  75  11.029  -9.525  -8.546
  566    HG   SER  75           HG       SER  75   9.888 -10.366  -6.458
  567    H    ARG  76           H        ARG  76  13.376 -12.392  -8.159
  568    HA   ARG  76           HA       ARG  76  15.092 -12.803  -9.575
  569   1HB   ARG  76          2HB       ARG  76  13.967 -11.139 -11.025
  570   2HB   ARG  76          1HB       ARG  76  14.917  -9.862 -10.278
  571   1HG   ARG  76          2HG       ARG  76  16.967 -10.836 -11.151
  572   2HG   ARG  76          1HG       ARG  76  16.053 -12.179 -11.843
  573   1HD   ARG  76          2HD       ARG  76  15.862  -9.262 -12.611
  574   2HD   ARG  76          1HD       ARG  76  16.542 -10.571 -13.580
  575    HE   ARG  76           HE       ARG  76  13.843 -11.114 -12.896
  576   1HH1  ARG  76          1HH1      ARG  76  15.761  -9.201 -15.036
  577   2HH1  ARG  76          2HH1      ARG  76  14.507  -9.107 -16.224
  578   1HH2  ARG  76          1HH2      ARG  76  12.262 -10.951 -14.402
  579   2HH2  ARG  76          2HH2      ARG  76  12.556 -10.092 -15.874
  580    H    GLY  77           H        GLY  77  16.028  -9.466  -8.705
  581   1HA   GLY  77          2HA       GLY  77  18.601 -10.479  -7.717
  582   2HA   GLY  77          1HA       GLY  77  18.202  -8.801  -8.054
  583    H    GLY  78           H        GLY  78  19.185  -8.322  -5.964
  584   1HA   GLY  78          2HA       GLY  78  17.931  -9.328  -3.550
  585   2HA   GLY  78          1HA       GLY  78  19.208  -8.128  -3.645
  586    H    ALA  79           H        ALA  79  16.009  -8.026  -5.186
  587    HA   ALA  79           HA       ALA  79  15.588  -5.371  -4.039
  588   1HB   ALA  79          1HB       ALA  79  13.775  -5.180  -5.663
  589   2HB   ALA  79          2HB       ALA  79  14.000  -6.866  -6.133
  590   3HB   ALA  79          3HB       ALA  79  15.272  -5.684  -6.445
  591    H    ARG  80           H        ARG  80  14.662  -5.318  -2.078
  592    HA   ARG  80           HA       ARG  80  13.059  -7.473  -1.059
  593   1HB   ARG  80          2HB       ARG  80  13.719  -4.753   0.090
  594   2HB   ARG  80          1HB       ARG  80  12.857  -6.011   0.963
  595   1HG   ARG  80          2HG       ARG  80  14.784  -7.456   0.897
  596   2HG   ARG  80          1HG       ARG  80  15.651  -6.314  -0.132
  597   1HD   ARG  80          2HD       ARG  80  15.721  -4.681   1.637
  598   2HD   ARG  80          1HD       ARG  80  14.675  -5.672   2.655
  599    HE   ARG  80           HE       ARG  80  16.602  -7.337   2.551
  600   1HH1  ARG  80          1HH1      ARG  80  17.102  -3.938   2.315
  601   2HH1  ARG  80          2HH1      ARG  80  18.643  -4.000   3.090
  602   1HH2  ARG  80          1HH2      ARG  80  18.555  -7.407   3.564
  603   2HH2  ARG  80          2HH2      ARG  80  19.458  -5.948   3.802
  604    H    PHE  81           H        PHE  81  11.162  -7.598  -2.315
  605    HA   PHE  81           HA       PHE  81   9.272  -5.360  -1.916
  606   1HB   PHE  81          2HB       PHE  81   9.503  -7.302  -4.213
  607   2HB   PHE  81          1HB       PHE  81   8.063  -6.328  -3.944
  608    HD1  PHE  81           HD2      PHE  81   8.414  -3.770  -3.763
  609    HD2  PHE  81           HD1      PHE  81  11.261  -6.432  -5.487
  610    HE1  PHE  81           HE2      PHE  81   9.434  -1.890  -4.979
  611    HE2  PHE  81           HE1      PHE  81  12.282  -4.553  -6.703
  612    HZ   PHE  81           HZ       PHE  81  11.367  -2.280  -6.451
  613    HA   PRO  82           HA       PRO  82   7.197  -8.492   0.625
  614   1HB   PRO  82          2HB       PRO  82   5.380  -6.773   1.707
  615   2HB   PRO  82          1HB       PRO  82   7.045  -6.904   2.284
  616   1HG   PRO  82          2HG       PRO  82   5.847  -4.887   0.415
  617   2HG   PRO  82          1HG       PRO  82   6.961  -4.629   1.771
  618   1HD   PRO  82          2HD       PRO  82   7.806  -4.689  -0.797
  619   2HD   PRO  82          1HD       PRO  82   8.809  -5.281   0.544
  620    H    HIS  83           H        HIS  83   5.788  -9.856  -0.286
  621    HA   HIS  83           HA       HIS  83   3.564  -8.772  -1.904
  622   1HB   HIS  83          2HB       HIS  83   5.018 -11.420  -2.167
  623   2HB   HIS  83          1HB       HIS  83   3.583 -10.978  -3.087
  624    HD1  HIS  83           HD1      HIS  83   5.961 -11.644  -4.746
  625    HD2  HIS  83           HD2      HIS  83   5.329  -7.806  -3.275
  626    HE1  HIS  83           HE1      HIS  83   7.219 -10.115  -6.281
  627    HE2  HIS  83           HE2      HIS  83   6.966  -7.830  -5.279
  628    H    LEU  84           H        LEU  84   1.622  -8.976  -0.998
  629    HA   LEU  84           HA       LEU  84   1.133 -10.908   1.122
  630   1HB   LEU  84          2HB       LEU  84  -0.321  -8.533   0.039
  631   2HB   LEU  84          1HB       LEU  84  -1.244  -9.746   0.905
  632    HG   LEU  84           HG       LEU  84   1.150  -8.309   2.058
  633   1HD1  LEU  84          1HD1      LEU  84  -1.793  -7.786   2.497
  634   2HD1  LEU  84          2HD1      LEU  84  -0.668  -6.730   1.640
  635   3HD1  LEU  84          3HD1      LEU  84  -0.463  -7.018   3.367
  636   1HD2  LEU  84          1HD2      LEU  84   0.747 -10.497   3.057
  637   2HD2  LEU  84          2HD2      LEU  84  -0.944 -10.077   3.332
  638   3HD2  LEU  84          3HD2      LEU  84   0.330  -9.212   4.191
  639    H    TYR  85           H        TYR  85   0.443 -12.880   0.689
  640    HA   TYR  85           HA       TYR  85  -0.922 -13.552  -1.772
  641   1HB   TYR  85          2HB       TYR  85  -0.109 -15.165   0.656
  642   2HB   TYR  85          1HB       TYR  85  -1.012 -15.862  -0.686
  643    HD1  TYR  85           HD2      TYR  85   2.001 -13.636  -0.347
  644    HD2  TYR  85           HD1      TYR  85   0.305 -17.116  -2.126
  645    HE1  TYR  85           HE2      TYR  85   4.093 -14.023  -1.578
  646    HE2  TYR  85           HE1      TYR  85   2.395 -17.507  -3.359
  647    HH   TYR  85           HH       TYR  85   4.320 -16.237  -4.160
  648    H    ARG  86           H        ARG  86  -2.104 -11.838   0.587
  649    HA   ARG  86           HA       ARG  86  -4.764 -13.103   0.458
  650   1HB   ARG  86          2HB       ARG  86  -5.240 -12.582   2.756
  651   2HB   ARG  86          1HB       ARG  86  -3.730 -13.483   2.716
  652   1HG   ARG  86          2HG       ARG  86  -2.443 -11.546   3.163
  653   2HG   ARG  86          1HG       ARG  86  -3.799 -10.472   2.822
  654   1HD   ARG  86          2HD       ARG  86  -3.491 -10.554   5.194
  655   2HD   ARG  86          1HD       ARG  86  -4.972 -11.422   4.804
  656    HE   ARG  86           HE       ARG  86  -2.416 -12.666   5.572
  657   1HH1  ARG  86          1HH1      ARG  86  -5.849 -12.814   5.234
  658   2HH1  ARG  86          2HH1      ARG  86  -5.979 -14.300   6.108
  659   1HH2  ARG  86          1HH2      ARG  86  -2.595 -14.575   6.694
  660   2HH2  ARG  86          2HH2      ARG  86  -4.152 -15.295   6.915
  661    HA   PRO  87           HA       PRO  87  -6.160  -8.952  -0.703
  662   1HB   PRO  87          2HB       PRO  87  -8.707  -9.748   0.612
  663   2HB   PRO  87          1HB       PRO  87  -8.422  -9.196  -1.043
  664   1HG   PRO  87          2HG       PRO  87  -8.970 -11.759  -0.539
  665   2HG   PRO  87          1HG       PRO  87  -7.784 -11.307  -1.780
  666   1HD   PRO  87          2HD       PRO  87  -7.315 -12.291   1.020
  667   2HD   PRO  87          1HD       PRO  87  -6.475 -12.731  -0.484
  668    H    LEU  88           H        LEU  88  -6.073  -7.019   0.366
  669    HA   LEU  88           HA       LEU  88  -5.711  -7.153   3.267
  670   1HB   LEU  88          2HB       LEU  88  -3.941  -6.150   1.906
  671   2HB   LEU  88          1HB       LEU  88  -5.072  -4.960   1.289
  672    HG   LEU  88           HG       LEU  88  -5.322  -4.033   3.579
  673   1HD1  LEU  88          1HD1      LEU  88  -4.818  -6.018   4.878
  674   2HD1  LEU  88          2HD1      LEU  88  -3.738  -4.701   5.328
  675   3HD1  LEU  88          3HD1      LEU  88  -3.153  -6.007   4.295
  676   1HD2  LEU  88          1HD2      LEU  88  -3.720  -3.043   2.039
  677   2HD2  LEU  88          2HD2      LEU  88  -2.479  -4.176   2.574
  678   3HD2  LEU  88          3HD2      LEU  88  -3.118  -2.972   3.694
  679    H    LEU  89           H        LEU  89  -7.582  -6.898   4.385
  680    HA   LEU  89           HA       LEU  89  -9.731  -5.197   3.640
  681   1HB   LEU  89          2HB       LEU  89  -8.923  -6.454   6.265
  682   2HB   LEU  89          1HB       LEU  89 -10.317  -5.400   6.146
  683    HG   LEU  89           HG       LEU  89 -10.966  -7.758   6.096
  684   1HD1  LEU  89          1HD1      LEU  89 -12.372  -6.167   4.941
  685   2HD1  LEU  89          2HD1      LEU  89 -12.358  -7.705   4.079
  686   3HD1  LEU  89          3HD1      LEU  89 -11.412  -6.345   3.472
  687   1HD2  LEU  89          1HD2      LEU  89 -10.407  -9.192   4.197
  688   2HD2  LEU  89          2HD2      LEU  89  -8.959  -8.707   5.078
  689   3HD2  LEU  89          3HD2      LEU  89  -9.359  -7.932   3.545
  690    H    VAL  90           H        VAL  90 -10.127  -3.035   4.079
  691    HA   VAL  90           HA       VAL  90  -7.947  -1.342   4.535
  692    HB   VAL  90           HB       VAL  90  -9.536   0.465   4.552
  693   1HG1  VAL  90          1HG1      VAL  90  -9.025  -0.519   2.410
  694   2HG1  VAL  90          2HG1      VAL  90 -10.706   0.014   2.435
  695   3HG1  VAL  90          3HG1      VAL  90 -10.321  -1.698   2.615
  696   1HG2  VAL  90          1HG2      VAL  90 -11.698  -1.620   4.829
  697   2HG2  VAL  90          2HG2      VAL  90 -11.961   0.103   4.559
  698   3HG2  VAL  90          3HG2      VAL  90 -11.221  -0.450   6.060
  699    H    SER  91           H        SER  91 -10.303  -2.694   6.747
  700    HA   SER  91           HA       SER  91  -9.785  -1.093   9.009
  701   1HB   SER  91          2HB       SER  91 -10.621  -4.011   8.946
  702   2HB   SER  91          1HB       SER  91 -10.809  -2.905  10.307
  703    HG   SER  91           HG       SER  91 -12.739  -3.135   9.069
  704    H    GLU  92           H        GLU  92  -7.846  -3.449   7.464
  705    HA   GLU  92           HA       GLU  92  -6.307  -4.115   9.856
  706   1HB   GLU  92          2HB       GLU  92  -6.893  -5.852   8.178
  707   2HB   GLU  92          1HB       GLU  92  -5.916  -5.005   6.988
  708   1HG   GLU  92          2HG       GLU  92  -4.730  -6.915   7.922
  709   2HG   GLU  92          1HG       GLU  92  -3.916  -5.399   8.307
  710    H    VAL  93           H        VAL  93  -6.167  -1.880   7.240
  711    HA   VAL  93           HA       VAL  93  -3.385  -1.476   7.030
  712    HB   VAL  93           HB       VAL  93  -5.580   0.573   6.623
  713   1HG1  VAL  93          1HG1      VAL  93  -2.733   0.505   5.607
  714   2HG1  VAL  93          2HG1      VAL  93  -3.395   1.623   6.800
  715   3HG1  VAL  93          3HG1      VAL  93  -3.958   1.681   5.130
  716   1HG2  VAL  93          1HG2      VAL  93  -5.501  -0.060   4.260
  717   2HG2  VAL  93          2HG2      VAL  93  -5.952  -1.435   5.268
  718   3HG2  VAL  93          3HG2      VAL  93  -4.313  -1.312   4.625
  719    H    THR  94           H        THR  94  -2.022  -0.847   8.574
  720    HA   THR  94           HA       THR  94  -2.694  -0.069  11.140
  721    HB   THR  94           HB       THR  94  -0.096   0.628   9.745
  722    HG1  THR  94           HG1      THR  94  -0.652  -1.721  11.266
  723   1HG2  THR  94          1HG2      THR  94  -0.346   1.726  11.924
  724   2HG2  THR  94          2HG2      THR  94   0.879   0.458  12.000
  725   3HG2  THR  94          3HG2      THR  94  -0.726   0.171  12.671
  726    H    ARG  95           H        ARG  95  -1.670   2.084   8.455
  727    HA   ARG  95           HA       ARG  95  -3.462   4.122   9.406
  728   1HB   ARG  95          2HB       ARG  95  -1.460   4.490  10.852
  729   2HB   ARG  95          1HB       ARG  95  -0.510   4.784   9.402
  730   1HG   ARG  95          2HG       ARG  95  -2.019   6.684   8.860
  731   2HG   ARG  95          1HG       ARG  95  -2.840   6.421  10.398
  732   1HD   ARG  95          2HD       ARG  95  -0.689   6.826  11.567
  733   2HD   ARG  95          1HD       ARG  95   0.062   7.176  10.007
  734    HE   ARG  95           HE       ARG  95  -2.230   8.746  10.984
  735   1HH1  ARG  95          1HH1      ARG  95   1.044   8.607   9.902
  736   2HH1  ARG  95          2HH1      ARG  95   1.169  10.325   9.746
  737   1HH2  ARG  95          1HH2      ARG  95  -2.051  10.924  10.791
  738   2HH2  ARG  95          2HH2      ARG  95  -0.576  11.623  10.225
  739    H    GLU  96           H        GLU  96  -3.962   5.654   7.880
  740    HA   GLU  96           HA       GLU  96  -2.753   5.340   5.218
  741   1HB   GLU  96          2HB       GLU  96  -4.756   6.571   4.388
  742   2HB   GLU  96          1HB       GLU  96  -5.149   5.060   5.194
  743   1HG   GLU  96          2HG       GLU  96  -5.765   6.323   7.222
  744   2HG   GLU  96          1HG       GLU  96  -5.403   7.827   6.376
  745    H    ALA  97           H        ALA  97  -0.945   6.592   5.256
  746    HA   ALA  97           HA       ALA  97  -0.862   9.137   6.603
  747   1HB   ALA  97          1HB       ALA  97   1.087   7.639   6.559
  748   2HB   ALA  97          2HB       ALA  97   1.465   9.223   5.881
  749   3HB   ALA  97          3HB       ALA  97   1.200   7.846   4.811
  750    H    ASP  98           H        ASP  98  -0.930  11.162   5.741
  751    HA   ASP  98           HA       ASP  98  -2.002  11.500   3.094
  752   1HB   ASP  98          2HB       ASP  98  -1.028  13.603   5.048
  753   2HB   ASP  98          1HB       ASP  98  -2.061  13.876   3.646
  754    H    LEU  99           H        LEU  99  -1.002  12.676   1.342
  755    HA   LEU  99           HA       LEU  99   1.931  12.857   1.479
  756   1HB   LEU  99          2HB       LEU  99   1.298  10.583   0.725
  757   2HB   LEU  99          1HB       LEU  99   0.439  11.289  -0.629
  758    HG   LEU  99           HG       LEU  99   2.526  12.124  -1.571
  759   1HD1  LEU  99          1HD1      LEU  99   4.689  11.548  -0.563
  760   2HD1  LEU  99          2HD1      LEU  99   3.855  10.874   0.838
  761   3HD1  LEU  99          3HD1      LEU  99   3.738  12.599   0.486
  762   1HD2  LEU  99          1HD2      LEU  99   1.819   9.868  -2.163
  763   2HD2  LEU  99          2HD2      LEU  99   2.691   9.212  -0.777
  764   3HD2  LEU  99          3HD2      LEU  99   3.577   9.969  -2.100
  765    H    ASP 100           H        ASP 100   2.780  14.522   0.392
  766    HA   ASP 100           HA       ASP 100   1.134  15.914  -1.634
  767   1HB   ASP 100          2HB       ASP 100   3.012  17.147   0.402
  768   2HB   ASP 100          1HB       ASP 100   2.191  18.033  -0.879
  769    H    LEU 101           H        LEU 101   2.512  17.402  -3.037
  770    HA   LEU 101           HA       LEU 101   4.983  16.012  -3.862
  771   1HB   LEU 101          2HB       LEU 101   3.289  17.957  -5.447
  772   2HB   LEU 101          1HB       LEU 101   4.650  17.030  -6.048
  773    HG   LEU 101           HG       LEU 101   2.023  15.852  -5.109
  774   1HD1  LEU 101          1HD1      LEU 101   3.119  16.212  -7.898
  775   2HD1  LEU 101          2HD1      LEU 101   1.769  17.098  -7.188
  776   3HD1  LEU 101          3HD1      LEU 101   1.632  15.363  -7.472
  777   1HD2  LEU 101          1HD2      LEU 101   2.874  13.758  -6.050
  778   2HD2  LEU 101          2HD2      LEU 101   3.911  14.338  -4.749
  779   3HD2  LEU 101          3HD2      LEU 101   4.407  14.544  -6.428
  780    H    ASP 102           H        ASP 102   6.881  17.234  -4.322
  781    HA   ASP 102           HA       ASP 102   7.018  19.797  -2.898
  782   1HB   ASP 102          2HB       ASP 102   9.385  19.446  -2.797
  783   2HB   ASP 102          1HB       ASP 102   8.622  17.904  -2.416
  784    H    ALA 103           H        ALA 103   9.300  20.853  -4.179
  785    HA   ALA 103           HA       ALA 103   8.165  22.301  -6.320
  786   1HB   ALA 103          1HB       ALA 103   9.940  23.188  -4.872
  787   2HB   ALA 103          2HB       ALA 103  10.366  23.305  -6.580
  788   3HB   ALA 103          3HB       ALA 103  11.081  22.043  -5.577
  789    H    ASP 104           H        ASP 104   9.940  19.286  -6.296
  790    HA   ASP 104           HA       ASP 104  10.345  19.374  -9.192
  791   1HB   ASP 104          2HB       ASP 104  11.116  17.279  -7.145
  792   2HB   ASP 104          1HB       ASP 104  11.502  17.199  -8.862
  793    H    GLY 105           H        GLY 105   7.936  18.415  -7.047
  794   1HA   GLY 105          2HA       GLY 105   5.853  17.520  -7.569
  795   2HA   GLY 105          1HA       GLY 105   6.444  17.142  -9.178
  796    H    VAL 106           H        VAL 106   8.297  16.065  -6.460
  797    HA   VAL 106           HA       VAL 106   7.551  13.284  -7.059
  798    HB   VAL 106           HB       VAL 106   9.920  14.347  -5.486
  799   1HG1  VAL 106          1HG1      VAL 106   9.256  12.074  -4.822
  800   2HG1  VAL 106          2HG1      VAL 106  10.811  12.078  -5.654
  801   3HG1  VAL 106          3HG1      VAL 106   9.357  11.552  -6.505
  802   1HG2  VAL 106          1HG2      VAL 106  10.058  14.983  -7.838
  803   2HG2  VAL 106          2HG2      VAL 106   9.786  13.311  -8.325
  804   3HG2  VAL 106          3HG2      VAL 106  11.259  13.748  -7.459
  805    HA   PRO 107           HA       PRO 107   5.248  13.029  -3.167
  806   1HB   PRO 107          2HB       PRO 107   5.858  10.130  -3.508
  807   2HB   PRO 107          1HB       PRO 107   4.307  10.932  -3.236
  808   1HG   PRO 107          2HG       PRO 107   4.922   9.978  -5.643
  809   2HG   PRO 107          1HG       PRO 107   4.066  11.524  -5.471
  810   1HD   PRO 107          2HD       PRO 107   6.960  11.015  -6.080
  811   2HD   PRO 107          1HD       PRO 107   5.861  12.235  -6.763
  812    H    GLN 108           H        GLN 108   6.505  13.808  -1.536
  813    HA   GLN 108           HA       GLN 108   9.128  12.784  -1.003
  814   1HB   GLN 108          2HB       GLN 108   7.443  14.856   0.408
  815   2HB   GLN 108          1HB       GLN 108   9.090  14.459   0.881
  816   1HG   GLN 108          2HG       GLN 108   8.247  15.512  -1.817
  817   2HG   GLN 108          1HG       GLN 108   8.994  16.460  -0.532
  818   1HE2  GLN 108          1HE2      GLN 108   9.882  15.822  -3.292
  819   2HE2  GLN 108          2HE2      GLN 108  11.459  15.146  -3.103
  820    H    LEU 109           H        LEU 109   9.171  10.742  -0.232
  821    HA   LEU 109           HA       LEU 109   7.657  10.088   2.201
  822   1HB   LEU 109          2HB       LEU 109   8.990   8.448   0.089
  823   2HB   LEU 109          1HB       LEU 109   8.816   7.759   1.690
  824    HG   LEU 109           HG       LEU 109   6.388   8.016   1.567
  825   1HD1  LEU 109          1HD1      LEU 109   6.860   9.088  -1.213
  826   2HD1  LEU 109          2HD1      LEU 109   6.284  10.010   0.177
  827   3HD1  LEU 109          3HD1      LEU 109   5.291   8.715  -0.494
  828   1HD2  LEU 109          1HD2      LEU 109   7.381   5.940   0.780
  829   2HD2  LEU 109          2HD2      LEU 109   7.562   6.619  -0.838
  830   3HD2  LEU 109          3HD2      LEU 109   5.952   6.344  -0.171
  831    H    GLY 110           H        GLY 110  10.834  10.968   1.214
  832   1HA   GLY 110          2HA       GLY 110  12.533   9.562   2.861
  833   2HA   GLY 110          1HA       GLY 110  12.782  11.240   2.410
  834    H    ASP 111           H        ASP 111  10.742  12.508   3.730
  835    HA   ASP 111           HA       ASP 111  11.622  12.556   6.443
  836   1HB   ASP 111          2HB       ASP 111   9.738  14.216   6.707
  837   2HB   ASP 111          1HB       ASP 111  10.896  14.604   5.436
  838    H    HIS 112           H        HIS 112   8.921  11.013   4.799
  839    HA   HIS 112           HA       HIS 112   7.401  10.392   7.135
  840   1HB   HIS 112          2HB       HIS 112   7.402   9.361   4.306
  841   2HB   HIS 112          1HB       HIS 112   6.404   8.597   5.536
  842    HD1  HIS 112           HD1      HIS 112   6.646  12.265   5.887
  843    HD2  HIS 112           HD2      HIS 112   4.223   9.513   3.931
  844    HE1  HIS 112           HE1      HIS 112   4.571  13.525   5.259
  845    HE2  HIS 112           HE2      HIS 112   3.048  11.808   4.233
  846    H    LEU 113           H        LEU 113  10.044   8.762   5.468
  847    HA   LEU 113           HA       LEU 113   9.596   6.197   6.650
  848   1HB   LEU 113          2HB       LEU 113  12.150   7.215   5.407
  849   2HB   LEU 113          1HB       LEU 113  11.691   5.540   5.648
  850    HG   LEU 113           HG       LEU 113  10.511   7.508   3.686
  851   1HD1  LEU 113          1HD1      LEU 113  12.570   6.462   2.966
  852   2HD1  LEU 113          2HD1      LEU 113  11.210   5.842   2.029
  853   3HD1  LEU 113          3HD1      LEU 113  11.912   4.864   3.318
  854   1HD2  LEU 113          1HD2      LEU 113   8.646   6.286   4.626
  855   2HD2  LEU 113          2HD2      LEU 113   9.489   4.752   4.392
  856   3HD2  LEU 113          3HD2      LEU 113   8.974   5.699   2.995
  857    H    ALA 114           H        ALA 114  11.220   5.069   8.021
  858    HA   ALA 114           HA       ALA 114  11.660   6.689  10.386
  859   1HB   ALA 114          1HB       ALA 114  10.570   4.492  10.529
  860   2HB   ALA 114          2HB       ALA 114  12.013   4.591  11.538
  861   3HB   ALA 114          3HB       ALA 114  12.070   3.727  10.000
  862    H    LEU 115           H        LEU 115  13.707   4.799   8.163
  863    HA   LEU 115           HA       LEU 115  16.063   5.095   9.791
  864   1HB   LEU 115          2HB       LEU 115  15.794   4.105   6.948
  865   2HB   LEU 115          1HB       LEU 115  17.223   3.947   7.955
  866    HG   LEU 115           HG       LEU 115  14.545   2.612   8.414
  867   1HD1  LEU 115          1HD1      LEU 115  17.235   1.460   7.669
  868   2HD1  LEU 115          2HD1      LEU 115  15.839   1.618   6.603
  869   3HD1  LEU 115          3HD1      LEU 115  15.765   0.540   7.995
  870   1HD2  LEU 115          1HD2      LEU 115  15.612   1.478  10.300
  871   2HD2  LEU 115          2HD2      LEU 115  15.582   3.223  10.544
  872   3HD2  LEU 115          3HD2      LEU 115  17.078   2.427  10.054
  873    H    GLU 116           H        GLU 116  18.119   5.977   8.908
  874    HA   GLU 116           HA       GLU 116  17.888   8.688   8.170
  875   1HB   GLU 116          2HB       GLU 116  20.303   6.860   8.040
  876   2HB   GLU 116          1HB       GLU 116  20.361   8.607   7.855
  877   1HG   GLU 116          2HG       GLU 116  21.010   8.224  10.063
  878   2HG   GLU 116          1HG       GLU 116  19.329   8.733  10.186
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1   7.020  -7.945  14.388
    2   2H    MET   1          2H        MET   1   7.892  -8.202  12.963
    3   3H    MET   1          3H        MET   1   6.577  -7.142  12.968
    4    HA   MET   1           HA       MET   1   7.722  -5.652  14.464
    5   1HB   MET   1          2HB       MET   1   9.992  -7.639  14.171
    6   2HB   MET   1          1HB       MET   1  10.135  -6.064  14.943
    7   1HG   MET   1          2HG       MET   1   9.906  -7.840  16.588
    8   2HG   MET   1          1HG       MET   1   8.528  -6.740  16.647
    9   1HE   MET   1          1HE       MET   1   7.088  -8.452  18.029
   10   2HE   MET   1          2HE       MET   1   8.443  -9.581  18.051
   11   3HE   MET   1          3HE       MET   1   6.843 -10.134  17.561
   12    H    THR   2           H        THR   2   6.982  -5.549  11.824
   13    HA   THR   2           HA       THR   2   9.129  -3.968  10.682
   14    HB   THR   2           HB       THR   2   9.781  -6.109   9.792
   15    HG1  THR   2           HG1      THR   2   9.854  -5.498   7.678
   16   1HG2  THR   2          1HG2      THR   2   7.666  -7.310  10.006
   17   2HG2  THR   2          2HG2      THR   2   8.290  -7.441   8.363
   18   3HG2  THR   2          3HG2      THR   2   6.965  -6.332   8.715
   19    H    LEU   3           H        LEU   3   8.431  -3.076   8.453
   20    HA   LEU   3           HA       LEU   3   5.590  -2.264   8.643
   21   1HB   LEU   3          2HB       LEU   3   7.940  -0.512   7.891
   22   2HB   LEU   3          1HB       LEU   3   6.264  -0.006   7.968
   23    HG   LEU   3           HG       LEU   3   7.938  -0.887  10.329
   24   1HD1  LEU   3          1HD1      LEU   3   7.807   1.477  11.007
   25   2HD1  LEU   3          2HD1      LEU   3   7.011   1.860   9.480
   26   3HD1  LEU   3          3HD1      LEU   3   8.672   1.264   9.485
   27   1HD2  LEU   3          1HD2      LEU   3   6.043  -0.089  11.680
   28   2HD2  LEU   3          2HD2      LEU   3   5.594  -1.444  10.646
   29   3HD2  LEU   3          3HD2      LEU   3   5.120   0.197  10.203
   30    H    ILE   4           H        ILE   4   4.428  -2.298   6.795
   31    HA   ILE   4           HA       ILE   4   5.840  -2.580   4.216
   32    HB   ILE   4           HB       ILE   4   3.854  -3.871   3.414
   33   1HG1  ILE   4          2HG1      ILE   4   3.143  -3.902   6.366
   34   2HG1  ILE   4          1HG1      ILE   4   2.213  -3.136   5.084
   35   1HG2  ILE   4          1HG2      ILE   4   5.920  -4.992   4.053
   36   2HG2  ILE   4          2HG2      ILE   4   4.521  -5.980   4.471
   37   3HG2  ILE   4          3HG2      ILE   4   5.372  -5.083   5.729
   38   1HD1  ILE   4          1HD1      ILE   4   2.705  -6.089   5.376
   39   2HD1  ILE   4          2HD1      ILE   4   1.761  -5.316   4.103
   40   3HD1  ILE   4          3HD1      ILE   4   1.217  -5.233   5.778
   41    H    TYR   5           H        TYR   5   5.046  -1.425   2.456
   42    HA   TYR   5           HA       TYR   5   2.967   0.587   3.065
   43   1HB   TYR   5          2HB       TYR   5   5.559   0.997   1.551
   44   2HB   TYR   5          1HB       TYR   5   4.279   2.196   1.688
   45    HD1  TYR   5           HD1      TYR   5   6.791   0.277   3.636
   46    HD2  TYR   5           HD2      TYR   5   4.114   3.591   3.606
   47    HE1  TYR   5           HE1      TYR   5   7.808   1.116   5.712
   48    HE2  TYR   5           HE2      TYR   5   5.128   4.436   5.679
   49    HH   TYR   5           HH       TYR   5   8.046   3.153   6.960
   50    H    LYS   6           H        LYS   6   1.535   1.134   1.468
   51    HA   LYS   6           HA       LYS   6   2.006   0.120  -1.261
   52   1HB   LYS   6          2HB       LYS   6   0.367  -1.392  -0.230
   53   2HB   LYS   6          1HB       LYS   6  -0.647  -0.018   0.199
   54   1HG   LYS   6          2HG       LYS   6  -0.870   0.497  -2.239
   55   2HG   LYS   6          1HG       LYS   6   0.006  -0.995  -2.584
   56   1HD   LYS   6          2HD       LYS   6  -1.751  -2.280  -1.439
   57   2HD   LYS   6          1HD       LYS   6  -2.623  -0.784  -1.100
   58   1HE   LYS   6          2HE       LYS   6  -1.991  -1.859  -3.856
   59   2HE   LYS   6          1HE       LYS   6  -3.547  -1.990  -3.043
   60   1HZ   LYS   6          1HZ       LYS   6  -3.649   0.455  -3.015
   61   2HZ   LYS   6          2HZ       LYS   6  -3.594  -0.167  -4.583
   62   3HZ   LYS   6          3HZ       LYS   6  -2.210   0.522  -3.899
   63    H    ILE   7           H        ILE   7   1.892   1.698  -2.730
   64    HA   ILE   7           HA       ILE   7   0.581   4.232  -2.069
   65    HB   ILE   7           HB       ILE   7   2.227   3.481  -4.502
   66   1HG1  ILE   7          2HG1      ILE   7   3.006   5.084  -2.044
   67   2HG1  ILE   7          1HG1      ILE   7   3.529   3.439  -2.393
   68   1HG2  ILE   7          1HG2      ILE   7   2.336   5.900  -4.924
   69   2HG2  ILE   7          2HG2      ILE   7   1.260   6.184  -3.555
   70   3HG2  ILE   7          3HG2      ILE   7   0.676   5.306  -4.968
   71   1HD1  ILE   7          1HD1      ILE   7   5.260   5.061  -2.921
   72   2HD1  ILE   7          2HD1      ILE   7   4.171   5.875  -4.044
   73   3HD1  ILE   7          3HD1      ILE   7   4.706   4.227  -4.373
   74    H    LEU   8           H        LEU   8  -1.293   4.916  -2.990
   75    HA   LEU   8           HA       LEU   8  -2.281   3.791  -5.470
   76   1HB   LEU   8          2HB       LEU   8  -4.386   2.972  -4.617
   77   2HB   LEU   8          1HB       LEU   8  -3.069   2.137  -3.820
   78    HG   LEU   8           HG       LEU   8  -4.646   4.406  -2.575
   79   1HD1  LEU   8          1HD1      LEU   8  -6.095   2.497  -2.917
   80   2HD1  LEU   8          2HD1      LEU   8  -5.703   2.653  -1.206
   81   3HD1  LEU   8          3HD1      LEU   8  -4.902   1.423  -2.186
   82   1HD2  LEU   8          1HD2      LEU   8  -3.607   3.677  -0.486
   83   2HD2  LEU   8          2HD2      LEU   8  -2.389   4.172  -1.661
   84   3HD2  LEU   8          3HD2      LEU   8  -2.679   2.458  -1.361
   85    H    SER   9           H        SER   9  -4.540   4.796  -5.974
   86    HA   SER   9           HA       SER   9  -4.329   7.646  -5.580
   87   1HB   SER   9          2HB       SER   9  -6.256   7.824  -7.048
   88   2HB   SER   9          1HB       SER   9  -5.177   6.599  -7.712
   89    HG   SER   9           HG       SER   9  -7.353   5.897  -7.715
   90    H    ARG  10           H        ARG  10  -5.859   9.004  -4.531
   91    HA   ARG  10           HA       ARG  10  -6.818   8.162  -2.049
   92   1HB   ARG  10          2HB       ARG  10  -6.427  10.534  -2.629
   93   2HB   ARG  10          1HB       ARG  10  -7.805  10.495  -3.721
   94   1HG   ARG  10          2HG       ARG  10  -8.496  11.559  -1.697
   95   2HG   ARG  10          1HG       ARG  10  -9.266   9.973  -1.765
   96   1HD   ARG  10          2HD       ARG  10  -7.242   9.183  -0.355
   97   2HD   ARG  10          1HD       ARG  10  -6.991  10.900  -0.034
   98    HE   ARG  10           HE       ARG  10  -9.609   9.710   0.507
   99   1HH1  ARG  10          1HH1      ARG  10  -6.686  11.095   1.722
  100   2HH1  ARG  10          2HH1      ARG  10  -7.333  11.288   3.314
  101   1HH2  ARG  10          1HH2      ARG  10 -10.400   9.932   2.536
  102   2HH2  ARG  10          2HH2      ARG  10  -9.415  10.641   3.774
  103    H    ALA  11           H        ALA  11  -8.476   8.359  -5.163
  104    HA   ALA  11           HA       ALA  11 -11.088   7.784  -4.256
  105   1HB   ALA  11          1HB       ALA  11 -11.614   7.327  -6.580
  106   2HB   ALA  11          2HB       ALA  11  -9.899   7.200  -6.973
  107   3HB   ALA  11          3HB       ALA  11 -10.576   8.749  -6.467
  108    H    GLU  12           H        GLU  12  -8.490   5.615  -5.424
  109    HA   GLU  12           HA       GLU  12  -9.953   3.213  -5.346
  110   1HB   GLU  12          2HB       GLU  12  -7.749   3.384  -6.422
  111   2HB   GLU  12          1HB       GLU  12  -6.992   3.649  -4.857
  112   1HG   GLU  12          2HG       GLU  12  -7.671   1.404  -4.146
  113   2HG   GLU  12          1HG       GLU  12  -8.426   1.136  -5.715
  114    H    TRP  13           H        TRP  13  -8.047   4.856  -2.855
  115    HA   TRP  13           HA       TRP  13  -8.206   2.845  -0.894
  116   1HB   TRP  13          2HB       TRP  13  -6.529   4.592  -0.773
  117   2HB   TRP  13          1HB       TRP  13  -7.775   5.826  -0.611
  118    HD1  TRP  13           HD1      TRP  13  -7.625   6.712   1.776
  119    HE1  TRP  13           HE1      TRP  13  -7.448   5.684   4.124
  120    HE3  TRP  13           HE3      TRP  13  -7.216   1.775   0.483
  121    HZ2  TRP  13           HZ2      TRP  13  -7.184   3.130   5.282
  122    HZ3  TRP  13           HZ3      TRP  13  -7.005   0.104   2.278
  123    HH2  TRP  13           HH2      TRP  13  -6.992   0.773   4.628
  124    H    ASP  14           H        ASP  14  -9.981   5.973  -0.901
  125    HA   ASP  14           HA       ASP  14 -11.659   5.304   1.233
  126   1HB   ASP  14          2HB       ASP  14 -11.888   7.356  -0.957
  127   2HB   ASP  14          1HB       ASP  14 -13.120   7.201   0.294
  128    H    ALA  15           H        ALA  15 -12.045   4.605  -2.191
  129    HA   ALA  15           HA       ALA  15 -14.745   3.770  -2.130
  130   1HB   ALA  15          1HB       ALA  15 -14.232   2.540  -4.178
  131   2HB   ALA  15          2HB       ALA  15 -12.504   2.753  -3.886
  132   3HB   ALA  15          3HB       ALA  15 -13.524   4.154  -4.218
  133    H    ALA  16           H        ALA  16 -11.722   1.906  -1.723
  134    HA   ALA  16           HA       ALA  16 -13.044  -0.537  -1.028
  135   1HB   ALA  16          1HB       ALA  16 -10.199   0.305  -0.450
  136   2HB   ALA  16          2HB       ALA  16 -10.753  -0.462  -1.938
  137   3HB   ALA  16          3HB       ALA  16 -10.834  -1.340  -0.411
  138    H    LYS  17           H        LYS  17 -11.953   2.248   0.754
  139    HA   LYS  17           HA       LYS  17 -11.817   1.296   3.361
  140   1HB   LYS  17          2HB       LYS  17 -11.101   3.545   2.590
  141   2HB   LYS  17          1HB       LYS  17 -12.788   4.011   2.435
  142   1HG   LYS  17          2HG       LYS  17 -13.066   3.646   4.877
  143   2HG   LYS  17          1HG       LYS  17 -11.338   3.303   4.987
  144   1HD   LYS  17          2HD       LYS  17 -12.576   5.902   4.040
  145   2HD   LYS  17          1HD       LYS  17 -11.823   5.627   5.611
  146   1HE   LYS  17          2HE       LYS  17  -9.677   5.259   4.567
  147   2HE   LYS  17          1HE       LYS  17 -10.402   5.359   2.962
  148   1HZ   LYS  17          1HZ       LYS  17 -10.394   7.591   4.920
  149   2HZ   LYS  17          2HZ       LYS  17 -10.869   7.663   3.296
  150   3HZ   LYS  17          3HZ       LYS  17  -9.243   7.407   3.694
  151    H    ALA  18           H        ALA  18 -14.626   2.750   1.703
  152    HA   ALA  18           HA       ALA  18 -16.500   2.352   3.764
  153   1HB   ALA  18          1HB       ALA  18 -18.195   2.709   2.045
  154   2HB   ALA  18          2HB       ALA  18 -16.985   2.470   0.783
  155   3HB   ALA  18          3HB       ALA  18 -16.869   3.857   1.867
  156    H    GLN  19           H        GLN  19 -15.432   0.259   1.139
  157    HA   GLN  19           HA       GLN  19 -17.337  -1.824   1.583
  158   1HB   GLN  19          2HB       GLN  19 -14.667  -1.804   0.161
  159   2HB   GLN  19          1HB       GLN  19 -15.752  -3.188   0.176
  160   1HG   GLN  19          2HG       GLN  19 -17.452  -1.909  -0.954
  161   2HG   GLN  19          1HG       GLN  19 -16.446  -0.465  -0.909
  162   1HE2  GLN  19          1HE2      GLN  19 -14.667  -0.332  -2.288
  163   2HE2  GLN  19          2HE2      GLN  19 -14.475  -1.376  -3.650
  164    H    GLY  20           H        GLY  20 -14.338  -0.961   3.079
  165   1HA   GLY  20          2HA       GLY  20 -13.297  -1.854   4.938
  166   2HA   GLY  20          1HA       GLY  20 -14.567  -3.061   5.030
  167    H    ARG  21           H        ARG  21 -13.662  -3.456   1.983
  168    HA   ARG  21           HA       ARG  21 -11.480  -5.341   2.651
  169   1HB   ARG  21          2HB       ARG  21 -13.355  -6.739   2.375
  170   2HB   ARG  21          1HB       ARG  21 -14.000  -5.776   1.053
  171   1HG   ARG  21          2HG       ARG  21 -12.127  -6.544  -0.377
  172   2HG   ARG  21          1HG       ARG  21 -11.579  -7.573   0.945
  173   1HD   ARG  21          2HD       ARG  21 -13.490  -8.950   0.801
  174   2HD   ARG  21          1HD       ARG  21 -14.357  -7.777  -0.193
  175    HE   ARG  21           HE       ARG  21 -12.668  -8.286  -1.954
  176   1HH1  ARG  21          1HH1      ARG  21 -13.390 -10.623   0.475
  177   2HH1  ARG  21          2HH1      ARG  21 -12.896 -11.951  -0.515
  178   1HH2  ARG  21          1HH2      ARG  21 -12.066  -9.969  -3.209
  179   2HH2  ARG  21          2HH2      ARG  21 -12.156 -11.585  -2.594
  180    H    PHE  22           H        PHE  22  -9.800  -5.550   1.176
  181    HA   PHE  22           HA       PHE  22 -10.127  -4.505  -1.529
  182   1HB   PHE  22          2HB       PHE  22  -9.253  -2.600  -0.172
  183   2HB   PHE  22          1HB       PHE  22  -7.839  -3.572   0.230
  184    HD1  PHE  22           HD2      PHE  22  -9.738  -2.277  -2.701
  185    HD2  PHE  22           HD1      PHE  22  -5.954  -3.442  -1.131
  186    HE1  PHE  22           HE2      PHE  22  -8.647  -1.499  -4.764
  187    HE2  PHE  22           HE1      PHE  22  -4.861  -2.665  -3.188
  188    HZ   PHE  22           HZ       PHE  22  -6.205  -1.693  -5.008
  189    H    GLU  23           H        GLU  23  -9.588  -6.228  -2.738
  190    HA   GLU  23           HA       GLU  23  -7.472  -8.047  -1.828
  191   1HB   GLU  23          2HB       GLU  23  -8.266  -9.601  -3.544
  192   2HB   GLU  23          1HB       GLU  23  -9.578  -9.098  -2.492
  193   1HG   GLU  23          2HG       GLU  23  -9.085  -7.815  -5.168
  194   2HG   GLU  23          1HG       GLU  23 -10.071  -9.264  -4.979
  195    H    GLY  24           H        GLY  24  -7.668  -5.354  -3.752
  196   1HA   GLY  24          2HA       GLY  24  -5.501  -4.600  -4.656
  197   2HA   GLY  24          1HA       GLY  24  -5.305  -6.213  -5.321
  198    H    SER  25           H        SER  25  -4.891  -4.544  -7.172
  199    HA   SER  25           HA       SER  25  -7.394  -3.898  -8.594
  200   1HB   SER  25          2HB       SER  25  -6.025  -2.502 -10.048
  201   2HB   SER  25          1HB       SER  25  -5.624  -2.123  -8.372
  202    HG   SER  25           HG       SER  25  -3.740  -3.272  -8.559
  203    H    ALA  26           H        ALA  26  -7.021  -4.164 -11.141
  204    HA   ALA  26           HA       ALA  26  -6.984  -6.859 -11.798
  205   1HB   ALA  26          1HB       ALA  26  -6.756  -6.159 -14.133
  206   2HB   ALA  26          2HB       ALA  26  -6.266  -4.548 -13.610
  207   3HB   ALA  26          3HB       ALA  26  -7.898  -5.125 -13.273
  208    H    VAL  27           H        VAL  27  -4.298  -4.655 -11.430
  209    HA   VAL  27           HA       VAL  27  -2.286  -6.263 -12.640
  210    HB   VAL  27           HB       VAL  27  -1.984  -4.197 -10.445
  211   1HG1  VAL  27          1HG1      VAL  27   0.342  -4.022 -11.220
  212   2HG1  VAL  27          2HG1      VAL  27   0.060  -5.344 -12.354
  213   3HG1  VAL  27          3HG1      VAL  27  -0.027  -5.638 -10.617
  214   1HG2  VAL  27          1HG2      VAL  27  -1.804  -3.895 -13.450
  215   2HG2  VAL  27          2HG2      VAL  27  -1.429  -2.638 -12.269
  216   3HG2  VAL  27          3HG2      VAL  27  -3.075  -3.252 -12.408
  217    H    ASP  28           H        ASP  28  -3.187  -5.790  -9.204
  218    HA   ASP  28           HA       ASP  28  -1.430  -7.677  -8.099
  219   1HB   ASP  28          2HB       ASP  28  -4.163  -6.846  -7.078
  220   2HB   ASP  28          1HB       ASP  28  -2.885  -7.597  -6.121
  221    H    LEU  29           H        LEU  29  -4.754  -8.056  -9.283
  222    HA   LEU  29           HA       LEU  29  -5.028 -10.815  -8.707
  223   1HB   LEU  29          2HB       LEU  29  -6.408  -8.928 -10.587
  224   2HB   LEU  29          1HB       LEU  29  -6.744 -10.645 -10.679
  225    HG   LEU  29           HG       LEU  29  -8.437  -9.493  -9.345
  226   1HD1  LEU  29          1HD1      LEU  29  -6.678 -11.252  -7.637
  227   2HD1  LEU  29          2HD1      LEU  29  -7.880 -11.811  -8.801
  228   3HD1  LEU  29          3HD1      LEU  29  -8.390 -10.910  -7.374
  229   1HD2  LEU  29          1HD2      LEU  29  -7.126  -7.628  -8.501
  230   2HD2  LEU  29          2HD2      LEU  29  -6.162  -8.723  -7.511
  231   3HD2  LEU  29          3HD2      LEU  29  -7.879  -8.501  -7.166
  232    H    ALA  30           H        ALA  30  -3.454  -9.115 -11.329
  233    HA   ALA  30           HA       ALA  30  -3.141 -11.367 -13.067
  234   1HB   ALA  30          1HB       ALA  30  -1.509  -8.828 -12.918
  235   2HB   ALA  30          2HB       ALA  30  -2.957  -9.068 -13.894
  236   3HB   ALA  30          3HB       ALA  30  -1.497  -9.993 -14.242
  237    H    ASP  31           H        ASP  31  -0.946  -9.783 -10.724
  238    HA   ASP  31           HA       ASP  31   1.139 -11.685 -10.875
  239   1HB   ASP  31          2HB       ASP  31   0.305  -9.787  -8.670
  240   2HB   ASP  31          1HB       ASP  31   1.745 -10.793  -8.570
  241    H    GLY  32           H        GLY  32  -1.857 -11.621  -9.062
  242   1HA   GLY  32          2HA       GLY  32  -2.926 -13.494  -8.103
  243   2HA   GLY  32          1HA       GLY  32  -1.400 -14.366  -8.132
  244    H    PHE  33           H        PHE  33  -1.080 -11.216  -6.975
  245    HA   PHE  33           HA       PHE  33  -1.720 -11.656  -4.229
  246   1HB   PHE  33          2HB       PHE  33   0.608 -11.596  -3.359
  247   2HB   PHE  33          1HB       PHE  33   0.262 -13.056  -4.273
  248    HD1  PHE  33           HD2      PHE  33   2.035  -9.812  -4.369
  249    HD2  PHE  33           HD1      PHE  33   1.481 -13.597  -6.247
  250    HE1  PHE  33           HE2      PHE  33   4.016  -9.407  -5.767
  251    HE2  PHE  33           HE1      PHE  33   3.463 -13.194  -7.648
  252    HZ   PHE  33           HZ       PHE  33   4.732 -11.097  -7.409
  253    H    ILE  34           H        ILE  34  -1.564  -9.770  -2.992
  254    HA   ILE  34           HA       ILE  34  -1.542  -7.298  -4.357
  255    HB   ILE  34           HB       ILE  34  -1.200  -7.777  -1.383
  256   1HG1  ILE  34          2HG1      ILE  34  -3.715  -7.326  -3.023
  257   2HG1  ILE  34          1HG1      ILE  34  -3.238  -8.846  -2.273
  258   1HG2  ILE  34          1HG2      ILE  34  -2.156  -5.319  -2.864
  259   2HG2  ILE  34          2HG2      ILE  34  -0.577  -5.504  -2.101
  260   3HG2  ILE  34          3HG2      ILE  34  -2.037  -5.499  -1.113
  261   1HD1  ILE  34          1HD1      ILE  34  -4.959  -7.732  -0.981
  262   2HD1  ILE  34          2HD1      ILE  34  -3.940  -6.302  -0.820
  263   3HD1  ILE  34          3HD1      ILE  34  -3.454  -7.821  -0.067
  264    H    HIS  35           H        HIS  35   0.220  -6.470  -5.288
  265    HA   HIS  35           HA       HIS  35   2.875  -7.150  -4.432
  266   1HB   HIS  35          2HB       HIS  35   3.552  -5.495  -6.263
  267   2HB   HIS  35          1HB       HIS  35   2.644  -6.917  -6.762
  268    HD1  HIS  35           HD1      HIS  35   1.966  -3.273  -5.930
  269    HD2  HIS  35           HD2      HIS  35   0.477  -6.347  -8.287
  270    HE1  HIS  35           HE1      HIS  35   0.115  -2.244  -7.275
  271    HE2  HIS  35           HE2      HIS  35  -0.962  -4.200  -8.423
  272    H    LEU  36           H        LEU  36   3.039  -6.375  -2.324
  273    HA   LEU  36           HA       LEU  36   2.820  -3.538  -1.765
  274   1HB   LEU  36          2HB       LEU  36   3.839  -5.812  -0.050
  275   2HB   LEU  36          1HB       LEU  36   3.526  -4.178   0.506
  276    HG   LEU  36           HG       LEU  36   1.415  -6.052  -0.578
  277   1HD1  LEU  36          1HD1      LEU  36   0.667  -6.248   1.746
  278   2HD1  LEU  36          2HD1      LEU  36   2.051  -5.289   2.272
  279   3HD1  LEU  36          3HD1      LEU  36   2.303  -6.873   1.537
  280   1HD2  LEU  36          1HD2      LEU  36   1.170  -3.371   0.798
  281   2HD2  LEU  36          2HD2      LEU  36  -0.170  -4.406   0.303
  282   3HD2  LEU  36          3HD2      LEU  36   0.882  -3.685  -0.914
  283    H    SER  37           H        SER  37   4.721  -2.550  -0.462
  284    HA   SER  37           HA       SER  37   7.367  -3.433  -1.338
  285   1HB   SER  37          2HB       SER  37   6.297  -0.665  -1.980
  286   2HB   SER  37          1HB       SER  37   7.978  -1.162  -2.163
  287    HG   SER  37           HG       SER  37   6.353  -2.915  -3.403
  288    H    ALA  38           H        ALA  38   9.014  -2.839   0.050
  289    HA   ALA  38           HA       ALA  38   8.332  -1.768   2.628
  290   1HB   ALA  38          1HB       ALA  38  11.045  -2.335   1.415
  291   2HB   ALA  38          2HB       ALA  38  10.089  -3.451   2.391
  292   3HB   ALA  38          3HB       ALA  38  10.733  -1.977   3.115
  293    H    GLY  39           H        GLY  39   9.524   0.154   3.570
  294   1HA   GLY  39          2HA       GLY  39   8.833   2.516   2.375
  295   2HA   GLY  39          1HA       GLY  39  10.143   2.386   3.534
  296    H    GLU  40           H        GLU  40  12.077   1.071   2.179
  297    HA   GLU  40           HA       GLU  40  13.371   2.903   0.581
  298   1HB   GLU  40          2HB       GLU  40  14.708   0.881  -0.222
  299   2HB   GLU  40          1HB       GLU  40  14.628   1.130   1.517
  300   1HG   GLU  40          2HG       GLU  40  12.872  -0.567   1.688
  301   2HG   GLU  40          1HG       GLU  40  12.938  -0.816  -0.052
  302    H    GLN  41           H        GLN  41  11.459   0.110  -0.543
  303    HA   GLN  41           HA       GLN  41  11.904   0.656  -3.322
  304   1HB   GLN  41          2HB       GLN  41   9.868  -1.169  -2.019
  305   2HB   GLN  41          1HB       GLN  41  10.377  -1.211  -3.702
  306   1HG   GLN  41          2HG       GLN  41  12.183  -2.439  -3.239
  307   2HG   GLN  41          1HG       GLN  41  12.620  -1.440  -1.854
  308   1HE2  GLN  41          1HE2      GLN  41  13.150  -3.183  -0.570
  309   2HE2  GLN  41          2HE2      GLN  41  11.962  -4.271   0.059
  310    H    ALA  42           H        ALA  42   9.387   1.376  -0.999
  311    HA   ALA  42           HA       ALA  42   7.319   2.115  -2.755
  312   1HB   ALA  42          1HB       ALA  42   6.991   1.677  -0.354
  313   2HB   ALA  42          2HB       ALA  42   6.322   3.235  -0.842
  314   3HB   ALA  42          3HB       ALA  42   7.857   3.166   0.027
  315    H    GLN  43           H        GLN  43   9.808   4.112  -1.129
  316    HA   GLN  43           HA       GLN  43   8.958   6.538  -2.329
  317   1HB   GLN  43          2HB       GLN  43  10.350   6.360  -0.240
  318   2HB   GLN  43          1HB       GLN  43  11.728   5.959  -1.260
  319   1HG   GLN  43          2HG       GLN  43  11.584   8.107  -2.364
  320   2HG   GLN  43          1HG       GLN  43  10.120   8.503  -1.468
  321   1HE2  GLN  43          1HE2      GLN  43  10.975  10.326  -0.542
  322   2HE2  GLN  43          2HE2      GLN  43  12.219  10.284   0.657
  323    H    GLU  44           H        GLU  44  11.524   4.203  -3.239
  324    HA   GLU  44           HA       GLU  44  12.491   5.602  -5.467
  325   1HB   GLU  44          2HB       GLU  44  12.303   2.637  -4.938
  326   2HB   GLU  44          1HB       GLU  44  13.019   3.279  -6.409
  327   1HG   GLU  44          2HG       GLU  44  14.521   4.650  -4.815
  328   2HG   GLU  44          1HG       GLU  44  13.996   3.497  -3.588
  329    H    THR  45           H        THR  45   9.910   3.122  -5.390
  330    HA   THR  45           HA       THR  45   9.076   3.327  -8.047
  331    HB   THR  45           HB       THR  45   7.290   2.818  -5.644
  332    HG1  THR  45           HG1      THR  45   8.491   1.077  -5.504
  333   1HG2  THR  45          1HG2      THR  45   5.885   1.582  -7.254
  334   2HG2  THR  45          2HG2      THR  45   6.945   2.097  -8.566
  335   3HG2  THR  45          3HG2      THR  45   6.003   3.291  -7.672
  336    H    ALA  46           H        ALA  46   8.179   5.261  -5.232
  337    HA   ALA  46           HA       ALA  46   6.258   6.893  -6.525
  338   1HB   ALA  46          1HB       ALA  46   6.392   6.679  -4.094
  339   2HB   ALA  46          2HB       ALA  46   6.504   8.367  -4.592
  340   3HB   ALA  46          3HB       ALA  46   7.957   7.494  -4.101
  341    H    ALA  47           H        ALA  47   9.757   7.007  -6.398
  342    HA   ALA  47           HA       ALA  47   9.916   9.717  -7.404
  343   1HB   ALA  47          1HB       ALA  47  12.330   9.351  -7.430
  344   2HB   ALA  47          2HB       ALA  47  12.080   7.641  -7.071
  345   3HB   ALA  47          3HB       ALA  47  11.624   8.868  -5.889
  346    H    LYS  48           H        LYS  48  10.388   6.457  -8.765
  347    HA   LYS  48           HA       LYS  48  11.097   7.446 -11.365
  348   1HB   LYS  48          2HB       LYS  48  10.510   4.722 -10.236
  349   2HB   LYS  48          1HB       LYS  48  10.668   4.954 -11.963
  350   1HG   LYS  48          2HG       LYS  48  12.779   4.241 -11.285
  351   2HG   LYS  48          1HG       LYS  48  12.953   5.986 -11.452
  352   1HD   LYS  48          2HD       LYS  48  12.742   6.262  -9.041
  353   2HD   LYS  48          1HD       LYS  48  12.472   4.527  -8.846
  354   1HE   LYS  48          2HE       LYS  48  14.724   4.136  -9.852
  355   2HE   LYS  48          1HE       LYS  48  14.982   5.879  -9.835
  356   1HZ   LYS  48          1HZ       LYS  48  14.589   4.112  -7.484
  357   2HZ   LYS  48          2HZ       LYS  48  14.642   5.798  -7.399
  358   3HZ   LYS  48          3HZ       LYS  48  15.999   4.938  -7.919
  359    H    TRP  49           H        TRP  49   8.147   6.156  -9.877
  360    HA   TRP  49           HA       TRP  49   6.752   6.358 -12.463
  361   1HB   TRP  49          2HB       TRP  49   5.964   4.814  -9.982
  362   2HB   TRP  49          1HB       TRP  49   5.106   4.801 -11.519
  363    HD1  TRP  49           HD1      TRP  49   8.321   3.498  -9.878
  364    HE1  TRP  49           HE1      TRP  49   9.275   1.598 -11.332
  365    HE3  TRP  49           HE3      TRP  49   5.174   3.887 -13.893
  366    HZ2  TRP  49           HZ2      TRP  49   8.758   0.422 -13.838
  367    HZ3  TRP  49           HZ3      TRP  49   5.474   2.331 -15.777
  368    HH2  TRP  49           HH2      TRP  49   7.230   0.635 -15.748
  369    H    PHE  50           H        PHE  50   6.049   6.952  -8.988
  370    HA   PHE  50           HA       PHE  50   3.632   8.408  -9.764
  371   1HB   PHE  50          2HB       PHE  50   4.646   7.546  -7.047
  372   2HB   PHE  50          1HB       PHE  50   3.102   8.336  -7.342
  373    HD1  PHE  50           HD2      PHE  50   1.389   7.167  -8.771
  374    HD2  PHE  50           HD1      PHE  50   4.885   5.211  -7.312
  375    HE1  PHE  50           HE2      PHE  50   0.334   4.982  -9.173
  376    HE2  PHE  50           HE1      PHE  50   3.830   3.025  -7.714
  377    HZ   PHE  50           HZ       PHE  50   1.551   2.909  -8.644
  378    H    ARG  51           H        ARG  51   6.576   9.474  -9.767
  379    HA   ARG  51           HA       ARG  51   6.728  11.531  -7.835
  380   1HB   ARG  51          2HB       ARG  51   8.718  10.666  -8.870
  381   2HB   ARG  51          1HB       ARG  51   8.156  11.135 -10.466
  382   1HG   ARG  51          2HG       ARG  51   8.394  13.477  -9.910
  383   2HG   ARG  51          1HG       ARG  51   8.838  13.065  -8.251
  384   1HD   ARG  51          2HD       ARG  51  10.756  13.630  -9.811
  385   2HD   ARG  51          1HD       ARG  51  10.892  12.105  -8.935
  386    HE   ARG  51           HE       ARG  51   9.914  11.146 -11.120
  387   1HH1  ARG  51          1HH1      ARG  51  12.166  13.742 -10.907
  388   2HH1  ARG  51          2HH1      ARG  51  12.833  13.427 -12.470
  389   1HH2  ARG  51          1HH2      ARG  51  10.787  10.749 -13.110
  390   2HH2  ARG  51          2HH2      ARG  51  12.050  11.760 -13.712
  391    H    GLY  52           H        GLY  52   5.611  13.352  -7.707
  392   1HA   GLY  52          2HA       GLY  52   4.959  15.485  -8.490
  393   2HA   GLY  52          1HA       GLY  52   5.029  14.888 -10.137
  394    H    GLN  53           H        GLN  53   3.361  12.597  -8.434
  395    HA   GLN  53           HA       GLN  53   0.807  13.623  -9.431
  396   1HB   GLN  53          2HB       GLN  53   1.456  10.894  -8.290
  397   2HB   GLN  53          1HB       GLN  53  -0.010  11.349  -9.151
  398   1HG   GLN  53          2HG       GLN  53   1.337  11.780 -11.174
  399   2HG   GLN  53          1HG       GLN  53   2.777  11.257 -10.304
  400   1HE2  GLN  53          1HE2      GLN  53   3.191   9.549 -11.683
  401   2HE2  GLN  53          2HE2      GLN  53   2.200   8.139 -11.744
  402    H    ALA  54           H        ALA  54  -0.525  14.690  -8.099
  403    HA   ALA  54           HA       ALA  54  -0.100  14.526  -5.204
  404   1HB   ALA  54          1HB       ALA  54  -1.365  16.613  -5.098
  405   2HB   ALA  54          2HB       ALA  54  -1.712  16.502  -6.824
  406   3HB   ALA  54          3HB       ALA  54  -0.054  16.730  -6.272
  407    H    ASN  55           H        ASN  55  -1.472  12.297  -6.324
  408    HA   ASN  55           HA       ASN  55  -4.064  12.563  -4.961
  409   1HB   ASN  55          2HB       ASN  55  -3.598  11.067  -7.557
  410   2HB   ASN  55          1HB       ASN  55  -5.099  11.058  -6.638
  411   1HD2  ASN  55          1HD2      ASN  55  -3.040  12.887  -8.727
  412   2HD2  ASN  55          2HD2      ASN  55  -4.160  14.158  -9.046
  413    H    LEU  56           H        LEU  56  -1.334  11.404  -4.292
  414    HA   LEU  56           HA       LEU  56  -1.834   8.516  -4.307
  415   1HB   LEU  56          2HB       LEU  56   0.664   9.881  -3.315
  416   2HB   LEU  56          1HB       LEU  56   0.483   8.241  -3.908
  417    HG   LEU  56           HG       LEU  56   0.322  10.744  -5.595
  418   1HD1  LEU  56          1HD1      LEU  56   2.465   9.991  -6.514
  419   2HD1  LEU  56          2HD1      LEU  56   2.500   8.675  -5.338
  420   3HD1  LEU  56          3HD1      LEU  56   2.570  10.351  -4.790
  421   1HD2  LEU  56          1HD2      LEU  56   0.318   9.239  -7.503
  422   2HD2  LEU  56          2HD2      LEU  56  -1.077   8.934  -6.472
  423   3HD2  LEU  56          3HD2      LEU  56   0.306   7.839  -6.427
  424    H    VAL  57           H        VAL  57  -2.658   7.551  -2.549
  425    HA   VAL  57           HA       VAL  57  -2.143   8.652   0.121
  426    HB   VAL  57           HB       VAL  57  -3.926   6.341  -0.718
  427   1HG1  VAL  57          1HG1      VAL  57  -4.790   6.418   1.583
  428   2HG1  VAL  57          2HG1      VAL  57  -3.603   7.657   1.989
  429   3HG1  VAL  57          3HG1      VAL  57  -3.068   6.034   1.555
  430   1HG2  VAL  57          1HG2      VAL  57  -4.606   9.162   0.133
  431   2HG2  VAL  57          2HG2      VAL  57  -5.775   7.872  -0.159
  432   3HG2  VAL  57          3HG2      VAL  57  -4.786   8.483  -1.486
  433    H    LEU  58           H        LEU  58  -0.633   7.781   1.425
  434    HA   LEU  58           HA       LEU  58   0.723   5.322   0.582
  435   1HB   LEU  58          2HB       LEU  58   2.101   7.315   1.055
  436   2HB   LEU  58          1HB       LEU  58   1.491   7.341   2.699
  437    HG   LEU  58           HG       LEU  58   2.536   5.108   3.081
  438   1HD1  LEU  58          1HD1      LEU  58   2.577   4.306   0.781
  439   2HD1  LEU  58          2HD1      LEU  58   4.197   4.285   1.475
  440   3HD1  LEU  58          3HD1      LEU  58   3.739   5.561   0.346
  441   1HD2  LEU  58          1HD2      LEU  58   4.838   5.938   3.221
  442   2HD2  LEU  58          2HD2      LEU  58   3.678   7.149   3.767
  443   3HD2  LEU  58          3HD2      LEU  58   4.415   7.291   2.170
  444    H    LEU  59           H        LEU  59  -0.234   3.533   1.363
  445    HA   LEU  59           HA       LEU  59  -1.477   3.480   3.968
  446   1HB   LEU  59          2HB       LEU  59  -0.881   1.216   2.060
  447   2HB   LEU  59          1HB       LEU  59  -1.859   1.099   3.512
  448    HG   LEU  59           HG       LEU  59  -2.511   2.703   1.035
  449   1HD1  LEU  59          1HD1      LEU  59  -3.847   0.274   2.236
  450   2HD1  LEU  59          2HD1      LEU  59  -2.844   0.291   0.785
  451   3HD1  LEU  59          3HD1      LEU  59  -4.381   1.155   0.804
  452   1HD2  LEU  59          1HD2      LEU  59  -4.086   2.431   3.600
  453   2HD2  LEU  59          2HD2      LEU  59  -4.612   3.271   2.141
  454   3HD2  LEU  59          3HD2      LEU  59  -3.237   3.880   3.060
  455    H    ALA  60           H        ALA  60  -0.147   3.638   5.636
  456    HA   ALA  60           HA       ALA  60   2.361   2.119   5.712
  457   1HB   ALA  60          1HB       ALA  60   1.273   4.138   7.685
  458   2HB   ALA  60          2HB       ALA  60   2.422   4.485   6.392
  459   3HB   ALA  60          3HB       ALA  60   2.881   3.411   7.713
  460    H    VAL  61           H        VAL  61   1.745   0.018   6.047
  461    HA   VAL  61           HA       VAL  61   0.039  -0.559   8.396
  462    HB   VAL  61           HB       VAL  61   0.560  -2.385   6.034
  463   1HG1  VAL  61          1HG1      VAL  61  -1.374  -3.634   6.879
  464   2HG1  VAL  61          2HG1      VAL  61  -1.507  -2.515   8.236
  465   3HG1  VAL  61          3HG1      VAL  61  -0.086  -3.548   8.080
  466   1HG2  VAL  61          1HG2      VAL  61  -0.619  -0.393   5.258
  467   2HG2  VAL  61          2HG2      VAL  61  -1.826  -0.595   6.528
  468   3HG2  VAL  61          3HG2      VAL  61  -1.688  -1.795   5.242
  469    H    GLU  62           H        GLU  62   0.852  -1.846  10.014
  470    HA   GLU  62           HA       GLU  62   3.596  -2.773   9.819
  471   1HB   GLU  62          2HB       GLU  62   1.565  -3.158  12.035
  472   2HB   GLU  62          1HB       GLU  62   3.274  -3.559  12.135
  473   1HG   GLU  62          2HG       GLU  62   3.780  -1.140  11.745
  474   2HG   GLU  62          1HG       GLU  62   2.052  -0.818  11.883
  475    H    ALA  63           H        ALA  63   4.231  -5.010  10.104
  476    HA   ALA  63           HA       ALA  63   2.514  -6.883   8.749
  477   1HB   ALA  63          1HB       ALA  63   5.141  -7.373  10.157
  478   2HB   ALA  63          2HB       ALA  63   4.952  -6.928   8.460
  479   3HB   ALA  63          3HB       ALA  63   4.333  -8.474   9.039
  480    H    GLU  64           H        GLU  64   2.733  -5.855  11.945
  481    HA   GLU  64           HA       GLU  64   2.367  -8.262  13.372
  482   1HB   GLU  64          2HB       GLU  64   1.216  -5.706  14.431
  483   2HB   GLU  64          1HB       GLU  64   2.074  -6.979  15.283
  484   1HG   GLU  64          2HG       GLU  64   3.202  -4.762  13.600
  485   2HG   GLU  64          1HG       GLU  64   3.512  -5.122  15.295
  486    HA   PRO  65           HA       PRO  65  -2.489  -7.014  13.266
  487   1HB   PRO  65          2HB       PRO  65  -2.318  -5.917  10.479
  488   2HB   PRO  65          1HB       PRO  65  -3.433  -5.498  11.787
  489   1HG   PRO  65          2HG       PRO  65  -1.397  -3.901  11.209
  490   2HG   PRO  65          1HG       PRO  65  -1.847  -4.206  12.898
  491   1HD   PRO  65          2HD       PRO  65   0.451  -5.282  11.324
  492   2HD   PRO  65          1HD       PRO  65   0.362  -4.854  13.044
  493    H    LEU  66           H        LEU  66  -1.049  -7.645  10.037
  494    HA   LEU  66           HA       LEU  66  -3.015  -9.700   9.521
  495   1HB   LEU  66          2HB       LEU  66  -1.821  -9.874   7.308
  496   2HB   LEU  66          1HB       LEU  66  -2.550  -8.327   7.686
  497    HG   LEU  66           HG       LEU  66  -0.195  -7.600   8.452
  498   1HD1  LEU  66          1HD1      LEU  66   1.666  -8.758   7.343
  499   2HD1  LEU  66          2HD1      LEU  66   0.555 -10.025   6.821
  500   3HD1  LEU  66          3HD1      LEU  66   0.863  -9.775   8.539
  501   1HD2  LEU  66          1HD2      LEU  66   0.423  -6.963   6.188
  502   2HD2  LEU  66          2HD2      LEU  66  -1.312  -6.776   6.434
  503   3HD2  LEU  66          3HD2      LEU  66  -0.695  -8.156   5.526
  504    H    GLY  67           H        GLY  67  -0.184  -9.775  11.199
  505   1HA   GLY  67          2HA       GLY  67   0.836 -11.594  12.182
  506   2HA   GLY  67          1HA       GLY  67  -0.237 -12.641  11.270
  507    H    GLU  68           H        GLU  68   1.530 -14.082  10.901
  508    HA   GLU  68           HA       GLU  68   3.790 -13.097   9.361
  509   1HB   GLU  68          2HB       GLU  68   4.721 -15.311   9.810
  510   2HB   GLU  68          1HB       GLU  68   4.225 -14.507  11.283
  511   1HG   GLU  68          2HG       GLU  68   2.121 -15.854  11.208
  512   2HG   GLU  68          1HG       GLU  68   2.809 -16.746   9.850
  513    H    ASP  69           H        ASP  69   0.845 -13.809   8.355
  514    HA   ASP  69           HA       ASP  69   1.219 -15.771   6.342
  515   1HB   ASP  69          2HB       ASP  69  -0.726 -13.448   6.415
  516   2HB   ASP  69          1HB       ASP  69  -0.829 -14.829   5.326
  517    H    LEU  70           H        LEU  70   2.318 -12.555   6.611
  518    HA   LEU  70           HA       LEU  70   2.555 -11.888   3.845
  519   1HB   LEU  70          2HB       LEU  70   2.507 -10.174   5.570
  520   2HB   LEU  70          1HB       LEU  70   3.969 -10.819   6.291
  521    HG   LEU  70           HG       LEU  70   5.196 -10.221   4.181
  522   1HD1  LEU  70          1HD1      LEU  70   4.180  -8.649   2.635
  523   2HD1  LEU  70          2HD1      LEU  70   2.651  -8.747   3.509
  524   3HD1  LEU  70          3HD1      LEU  70   3.278 -10.164   2.665
  525   1HD2  LEU  70          1HD2      LEU  70   3.844  -7.962   5.662
  526   2HD2  LEU  70          2HD2      LEU  70   5.304  -7.821   4.680
  527   3HD2  LEU  70          3HD2      LEU  70   5.321  -8.799   6.146
  528    H    LYS  71           H        LYS  71   4.018 -12.582   2.397
  529    HA   LYS  71           HA       LYS  71   6.399 -14.020   3.364
  530   1HB   LYS  71          2HB       LYS  71   4.939 -15.269   1.841
  531   2HB   LYS  71          1HB       LYS  71   5.099 -14.006   0.629
  532   1HG   LYS  71          2HG       LYS  71   6.514 -15.889   0.065
  533   2HG   LYS  71          1HG       LYS  71   7.512 -14.489   0.463
  534   1HD   LYS  71          2HD       LYS  71   7.865 -15.393   2.723
  535   2HD   LYS  71          1HD       LYS  71   6.881 -16.799   2.312
  536   1HE   LYS  71          2HE       LYS  71   9.221 -17.370   2.134
  537   2HE   LYS  71          1HE       LYS  71   8.503 -17.363   0.527
  538   1HZ   LYS  71          1HZ       LYS  71  10.051 -15.102   1.673
  539   2HZ   LYS  71          2HZ       LYS  71   9.484 -15.243   0.083
  540   3HZ   LYS  71          3HZ       LYS  71  10.696 -16.278   0.642
  541    H    TRP  72           H        TRP  72   8.295 -12.986   3.332
  542    HA   TRP  72           HA       TRP  72   8.684 -10.621   1.668
  543   1HB   TRP  72          2HB       TRP  72  10.385 -11.934   3.803
  544   2HB   TRP  72          1HB       TRP  72  10.915 -10.533   2.874
  545    HD1  TRP  72           HD1      TRP  72   8.341 -11.539   5.558
  546    HE1  TRP  72           HE1      TRP  72   7.514  -9.401   6.734
  547    HE3  TRP  72           HE3      TRP  72  10.618  -8.050   2.591
  548    HZ2  TRP  72           HZ2      TRP  72   7.792  -6.600   6.433
  549    HZ3  TRP  72           HZ3      TRP  72  10.287  -5.665   3.100
  550    HH2  TRP  72           HH2      TRP  72   8.903  -4.956   4.981
  551    H    GLU  73           H        GLU  73   9.857 -10.557  -0.171
  552    HA   GLU  73           HA       GLU  73  11.544 -12.859  -0.891
  553   1HB   GLU  73          2HB       GLU  73   9.366 -13.266  -1.905
  554   2HB   GLU  73          1HB       GLU  73   9.371 -11.665  -2.630
  555   1HG   GLU  73          2HG       GLU  73  11.197 -12.268  -4.082
  556   2HG   GLU  73          1HG       GLU  73  11.379 -13.821  -3.268
  557    H    ALA  74           H        ALA  74  13.487 -11.831  -0.878
  558    HA   ALA  74           HA       ALA  74  13.876  -9.285  -2.201
  559   1HB   ALA  74          1HB       ALA  74  16.208  -9.512  -1.579
  560   2HB   ALA  74          2HB       ALA  74  15.945 -11.189  -1.101
  561   3HB   ALA  74          3HB       ALA  74  15.179  -9.884  -0.195
  562    H    SER  75           H        SER  75  13.065  -9.955  -4.299
  563    HA   SER  75           HA       SER  75  14.316 -11.968  -5.865
  564   1HB   SER  75          2HB       SER  75  12.696  -9.562  -6.750
  565   2HB   SER  75          1HB       SER  75  13.143 -10.916  -7.788
  566    HG   SER  75           HG       SER  75  11.026 -10.734  -6.263
  567    H    ARG  76           H        ARG  76  15.247  -8.743  -5.122
  568    HA   ARG  76           HA       ARG  76  17.463  -8.916  -7.065
  569   1HB   ARG  76          2HB       ARG  76  15.962  -6.395  -6.301
  570   2HB   ARG  76          1HB       ARG  76  17.336  -6.484  -7.397
  571   1HG   ARG  76          2HG       ARG  76  16.020  -7.845  -8.947
  572   2HG   ARG  76          1HG       ARG  76  14.647  -7.783  -7.842
  573   1HD   ARG  76          2HD       ARG  76  14.624  -5.314  -8.082
  574   2HD   ARG  76          1HD       ARG  76  15.916  -5.448  -9.276
  575    HE   ARG  76           HE       ARG  76  13.674  -7.068  -9.954
  576   1HH1  ARG  76          1HH1      ARG  76  14.902  -3.849 -10.088
  577   2HH1  ARG  76          2HH1      ARG  76  13.858  -3.397 -11.392
  578   1HH2  ARG  76          1HH2      ARG  76  12.335  -6.464 -11.612
  579   2HH2  ARG  76          2HH2      ARG  76  12.412  -4.850 -12.230
  580    H    GLY  77           H        GLY  77  19.471  -8.197  -6.345
  581   1HA   GLY  77          2HA       GLY  77  20.152  -8.656  -3.709
  582   2HA   GLY  77          1HA       GLY  77  21.139  -7.741  -4.835
  583    H    GLY  78           H        GLY  78  19.218  -7.601  -2.017
  584   1HA   GLY  78          2HA       GLY  78  19.545  -5.789  -0.468
  585   2HA   GLY  78          1HA       GLY  78  19.726  -4.696  -1.829
  586    H    ALA  79           H        ALA  79  17.341  -5.858  -3.188
  587    HA   ALA  79           HA       ALA  79  15.385  -4.181  -1.807
  588   1HB   ALA  79          1HB       ALA  79  14.115  -4.269  -3.880
  589   2HB   ALA  79          2HB       ALA  79  15.241  -5.455  -4.542
  590   3HB   ALA  79          3HB       ALA  79  15.789  -3.814  -4.199
  591    H    ARG  80           H        ARG  80  14.467  -5.311  -0.171
  592    HA   ARG  80           HA       ARG  80  13.567  -8.065  -0.567
  593   1HB   ARG  80          2HB       ARG  80  13.565  -6.274   1.879
  594   2HB   ARG  80          1HB       ARG  80  13.054  -7.958   1.873
  595   1HG   ARG  80          2HG       ARG  80  15.283  -8.678   1.258
  596   2HG   ARG  80          1HG       ARG  80  15.817  -7.003   1.121
  597   1HD   ARG  80          2HD       ARG  80  14.752  -8.180   3.682
  598   2HD   ARG  80          1HD       ARG  80  16.457  -8.226   3.245
  599    HE   ARG  80           HE       ARG  80  14.968  -5.695   3.548
  600   1HH1  ARG  80          1HH1      ARG  80  17.751  -7.654   4.120
  601   2HH1  ARG  80          2HH1      ARG  80  18.588  -6.399   4.963
  602   1HH2  ARG  80          1HH2      ARG  80  16.071  -4.105   4.633
  603   2HH2  ARG  80          2HH2      ARG  80  17.652  -4.430   5.254
  604    H    PHE  81           H        PHE  81  11.678  -8.199  -1.698
  605    HA   PHE  81           HA       PHE  81   9.635  -6.133  -1.395
  606   1HB   PHE  81          2HB       PHE  81   9.778  -8.490  -3.292
  607   2HB   PHE  81          1HB       PHE  81   8.567  -7.214  -3.340
  608    HD1  PHE  81           HD2      PHE  81   9.309  -4.856  -3.841
  609    HD2  PHE  81           HD1      PHE  81  11.867  -8.224  -4.360
  610    HE1  PHE  81           HE2      PHE  81  10.755  -3.529  -5.327
  611    HE2  PHE  81           HE1      PHE  81  13.314  -6.901  -5.845
  612    HZ   PHE  81           HZ       PHE  81  12.757  -4.550  -6.330
  613    HA   PRO  82           HA       PRO  82   7.229  -8.977   1.242
  614   1HB   PRO  82          2HB       PRO  82   5.467  -7.134   2.132
  615   2HB   PRO  82          1HB       PRO  82   7.112  -7.245   2.771
  616   1HG   PRO  82          2HG       PRO  82   5.990  -5.345   0.740
  617   2HG   PRO  82          1HG       PRO  82   7.096  -5.019   2.088
  618   1HD   PRO  82          2HD       PRO  82   7.918  -5.331  -0.512
  619   2HD   PRO  82          1HD       PRO  82   8.943  -5.683   0.892
  620    H    HIS  83           H        HIS  83   5.555 -10.240   0.553
  621    HA   HIS  83           HA       HIS  83   3.677  -9.133  -1.445
  622   1HB   HIS  83          2HB       HIS  83   5.019 -11.847  -1.494
  623   2HB   HIS  83          1HB       HIS  83   3.733 -11.351  -2.591
  624    HD1  HIS  83           HD1      HIS  83   6.871 -12.065  -3.206
  625    HD2  HIS  83           HD2      HIS  83   5.009  -8.355  -3.316
  626    HE1  HIS  83           HE1      HIS  83   8.290 -10.648  -4.711
  627    HE2  HIS  83           HE2      HIS  83   7.010  -8.495  -4.944
  628    H    LEU  84           H        LEU  84   1.577  -9.401  -0.989
  629    HA   LEU  84           HA       LEU  84   0.776 -11.385   1.046
  630   1HB   LEU  84          2HB       LEU  84  -0.193  -8.690   0.323
  631   2HB   LEU  84          1HB       LEU  84  -1.460  -9.857   0.650
  632    HG   LEU  84           HG       LEU  84   0.771  -9.134   2.548
  633   1HD1  LEU  84          1HD1      LEU  84  -2.158  -8.403   2.603
  634   2HD1  LEU  84          2HD1      LEU  84  -0.819  -7.304   2.264
  635   3HD1  LEU  84          3HD1      LEU  84  -0.977  -8.036   3.860
  636   1HD2  LEU  84          1HD2      LEU  84   0.062 -11.429   2.861
  637   2HD2  LEU  84          2HD2      LEU  84  -1.628 -10.926   2.911
  638   3HD2  LEU  84          3HD2      LEU  84  -0.522 -10.431   4.194
  639    H    TYR  85           H        TYR  85   0.093 -13.250   0.172
  640    HA   TYR  85           HA       TYR  85  -1.120 -13.348  -2.461
  641   1HB   TYR  85          2HB       TYR  85  -0.756 -15.587  -0.453
  642   2HB   TYR  85          1HB       TYR  85  -1.121 -15.763  -2.164
  643    HD1  TYR  85           HD2      TYR  85   0.626 -15.385  -3.858
  644    HD2  TYR  85           HD1      TYR  85   1.484 -15.068   0.303
  645    HE1  TYR  85           HE2      TYR  85   3.035 -15.495  -4.349
  646    HE2  TYR  85           HE1      TYR  85   3.885 -15.178  -0.183
  647    HH   TYR  85           HH       TYR  85   5.159 -14.872  -3.327
  648    H    ARG  86           H        ARG  86  -2.441 -12.214   0.180
  649    HA   ARG  86           HA       ARG  86  -5.070 -13.446  -0.296
  650   1HB   ARG  86          2HB       ARG  86  -5.442 -13.427   2.219
  651   2HB   ARG  86          1HB       ARG  86  -4.342 -14.654   1.604
  652   1HG   ARG  86          2HG       ARG  86  -2.443 -13.139   2.224
  653   2HG   ARG  86          1HG       ARG  86  -3.621 -12.093   3.020
  654   1HD   ARG  86          2HD       ARG  86  -3.264 -15.019   3.673
  655   2HD   ARG  86          1HD       ARG  86  -2.424 -13.723   4.520
  656    HE   ARG  86           HE       ARG  86  -4.762 -12.898   5.057
  657   1HH1  ARG  86          1HH1      ARG  86  -4.120 -16.230   4.483
  658   2HH1  ARG  86          2HH1      ARG  86  -5.296 -16.765   5.627
  659   1HH2  ARG  86          1HH2      ARG  86  -6.290 -13.616   6.530
  660   2HH2  ARG  86          2HH2      ARG  86  -6.506 -15.317   6.757
  661    HA   PRO  87           HA       PRO  87  -6.629  -9.341  -0.478
  662   1HB   PRO  87          2HB       PRO  87  -9.090  -9.658   0.754
  663   2HB   PRO  87          1HB       PRO  87  -8.738 -10.084  -0.922
  664   1HG   PRO  87          2HG       PRO  87  -8.810 -11.844   1.501
  665   2HG   PRO  87          1HG       PRO  87  -9.435 -12.156  -0.131
  666   1HD   PRO  87          2HD       PRO  87  -7.117 -13.222   0.688
  667   2HD   PRO  87          1HD       PRO  87  -7.321 -12.644  -0.980
  668    H    LEU  88           H        LEU  88  -6.388  -7.514   0.664
  669    HA   LEU  88           HA       LEU  88  -5.949  -7.713   3.548
  670   1HB   LEU  88          2HB       LEU  88  -4.212  -6.641   2.184
  671   2HB   LEU  88          1HB       LEU  88  -5.376  -5.456   1.620
  672    HG   LEU  88           HG       LEU  88  -5.609  -4.605   3.941
  673   1HD1  LEU  88          1HD1      LEU  88  -5.022  -6.660   5.137
  674   2HD1  LEU  88          2HD1      LEU  88  -4.036  -5.299   5.665
  675   3HD1  LEU  88          3HD1      LEU  88  -3.354  -6.513   4.581
  676   1HD2  LEU  88          1HD2      LEU  88  -2.768  -4.654   2.916
  677   2HD2  LEU  88          2HD2      LEU  88  -3.452  -3.475   4.037
  678   3HD2  LEU  88          3HD2      LEU  88  -4.043  -3.560   2.379
  679    H    LEU  89           H        LEU  89  -7.313  -6.887   5.027
  680    HA   LEU  89           HA       LEU  89  -9.741  -5.559   4.113
  681   1HB   LEU  89          2HB       LEU  89  -8.899  -6.471   6.871
  682   2HB   LEU  89          1HB       LEU  89 -10.470  -5.803   6.466
  683    HG   LEU  89           HG       LEU  89  -9.331  -8.400   5.406
  684   1HD1  LEU  89          1HD1      LEU  89 -11.102  -9.453   6.737
  685   2HD1  LEU  89          2HD1      LEU  89 -11.549  -7.876   7.386
  686   3HD1  LEU  89          3HD1      LEU  89  -9.965  -8.562   7.749
  687   1HD2  LEU  89          1HD2      LEU  89 -11.546  -8.739   4.419
  688   2HD2  LEU  89          2HD2      LEU  89 -10.755  -7.312   3.750
  689   3HD2  LEU  89          3HD2      LEU  89 -12.034  -7.129   4.951
  690    H    VAL  90           H        VAL  90 -10.213  -3.438   4.421
  691    HA   VAL  90           HA       VAL  90  -8.258  -1.522   4.990
  692    HB   VAL  90           HB       VAL  90 -11.274  -1.280   5.186
  693   1HG1  VAL  90          1HG1      VAL  90 -10.937   1.142   4.940
  694   2HG1  VAL  90          2HG1      VAL  90  -9.192   0.909   5.031
  695   3HG1  VAL  90          3HG1      VAL  90 -10.205   0.535   6.425
  696   1HG2  VAL  90          1HG2      VAL  90  -9.365  -0.608   2.938
  697   2HG2  VAL  90          2HG2      VAL  90 -11.106  -0.325   2.931
  698   3HG2  VAL  90          3HG2      VAL  90 -10.481  -1.973   2.980
  699    H    SER  91           H        SER  91 -10.545  -3.158   7.085
  700    HA   SER  91           HA       SER  91 -10.142  -1.589   9.422
  701   1HB   SER  91          2HB       SER  91 -11.153  -3.552  10.604
  702   2HB   SER  91          1HB       SER  91 -12.099  -3.005   9.219
  703    HG   SER  91           HG       SER  91 -11.837  -5.297   9.277
  704    H    GLU  92           H        GLU  92  -8.100  -3.809   7.865
  705    HA   GLU  92           HA       GLU  92  -6.677  -4.644  10.272
  706   1HB   GLU  92          2HB       GLU  92  -7.131  -6.156   8.263
  707   2HB   GLU  92          1HB       GLU  92  -5.927  -5.215   7.396
  708   1HG   GLU  92          2HG       GLU  92  -4.752  -7.078   8.144
  709   2HG   GLU  92          1HG       GLU  92  -4.335  -5.826   9.312
  710    H    VAL  93           H        VAL  93  -6.497  -2.172   7.901
  711    HA   VAL  93           HA       VAL  93  -3.704  -1.779   7.711
  712    HB   VAL  93           HB       VAL  93  -5.972   0.170   7.241
  713   1HG1  VAL  93          1HG1      VAL  93  -4.392   1.439   5.855
  714   2HG1  VAL  93          2HG1      VAL  93  -3.093   0.351   6.344
  715   3HG1  VAL  93          3HG1      VAL  93  -3.874   1.381   7.542
  716   1HG2  VAL  93          1HG2      VAL  93  -5.653  -0.432   4.862
  717   2HG2  VAL  93          2HG2      VAL  93  -6.153  -1.806   5.846
  718   3HG2  VAL  93          3HG2      VAL  93  -4.468  -1.646   5.347
  719    H    THR  94           H        THR  94  -2.302  -0.311   8.707
  720    HA   THR  94           HA       THR  94  -2.998   0.407  11.433
  721    HB   THR  94           HB       THR  94  -0.363   0.760   9.977
  722    HG1  THR  94           HG1      THR  94  -0.774  -1.154  11.998
  723   1HG2  THR  94          1HG2      THR  94  -0.560   2.287  11.880
  724   2HG2  THR  94          2HG2      THR  94   0.601   1.008  12.231
  725   3HG2  THR  94          3HG2      THR  94  -1.018   0.942  12.926
  726    H    ARG  95           H        ARG  95  -1.330   2.324   8.854
  727    HA   ARG  95           HA       ARG  95  -2.749   4.699   9.904
  728   1HB   ARG  95          2HB       ARG  95  -0.424   4.686  10.702
  729   2HB   ARG  95          1HB       ARG  95   0.151   4.590   9.043
  730   1HG   ARG  95          2HG       ARG  95  -0.933   6.776   8.586
  731   2HG   ARG  95          1HG       ARG  95  -1.374   6.871  10.289
  732   1HD   ARG  95          2HD       ARG  95   1.016   6.814  10.895
  733   2HD   ARG  95          1HD       ARG  95   1.436   6.758   9.180
  734    HE   ARG  95           HE       ARG  95  -0.237   8.986   9.848
  735   1HH1  ARG  95          1HH1      ARG  95   3.039   7.900   9.777
  736   2HH1  ARG  95          2HH1      ARG  95   3.673   9.505   9.709
  737   1HH2  ARG  95          1HH2      ARG  95   0.585  11.018   9.752
  738   2HH2  ARG  95          2HH2      ARG  95   2.296  11.260   9.695
  739    H    GLU  96           H        GLU  96  -3.352   6.277   8.515
  740    HA   GLU  96           HA       GLU  96  -3.016   5.834   5.611
  741   1HB   GLU  96          2HB       GLU  96  -5.344   5.831   6.320
  742   2HB   GLU  96          1HB       GLU  96  -5.122   7.342   7.190
  743   1HG   GLU  96          2HG       GLU  96  -4.554   8.368   4.914
  744   2HG   GLU  96          1HG       GLU  96  -5.217   6.888   4.220
  745    H    ALA  97           H        ALA  97  -1.665   7.263   4.568
  746    HA   ALA  97           HA       ALA  97  -1.466  10.014   5.607
  747   1HB   ALA  97          1HB       ALA  97   0.935   8.306   4.939
  748   2HB   ALA  97          2HB       ALA  97   0.416   8.771   6.558
  749   3HB   ALA  97          3HB       ALA  97   0.967  10.003   5.422
  750    H    ASP  98           H        ASP  98  -2.301  11.155   3.918
  751    HA   ASP  98           HA       ASP  98  -1.918  10.555   1.173
  752   1HB   ASP  98          2HB       ASP  98  -2.512  13.266   2.399
  753   2HB   ASP  98          1HB       ASP  98  -2.818  12.777   0.735
  754    H    LEU  99           H        LEU  99  -0.247  11.016  -0.192
  755    HA   LEU  99           HA       LEU  99   2.217  11.904   1.003
  756   1HB   LEU  99          2HB       LEU  99   1.547  10.972  -1.786
  757   2HB   LEU  99          1HB       LEU  99   3.162  11.444  -1.290
  758    HG   LEU  99           HG       LEU  99   1.567   9.154  -0.117
  759   1HD1  LEU  99          1HD1      LEU  99   3.256   7.733  -1.206
  760   2HD1  LEU  99          2HD1      LEU  99   3.951   9.162  -1.971
  761   3HD1  LEU  99          3HD1      LEU  99   2.309   8.658  -2.371
  762   1HD2  LEU  99          1HD2      LEU  99   3.017  10.169   1.550
  763   2HD2  LEU  99          2HD2      LEU  99   4.386  10.090   0.441
  764   3HD2  LEU  99          3HD2      LEU  99   3.663   8.604   1.057
  765    H    ASP 100           H        ASP 100   1.843  14.113   1.471
  766    HA   ASP 100           HA       ASP 100   1.561  16.013  -0.673
  767   1HB   ASP 100          2HB       ASP 100   2.398  16.339   2.219
  768   2HB   ASP 100          1HB       ASP 100   2.225  17.686   1.097
  769    H    LEU 101           H        LEU 101   3.125  15.887  -2.185
  770    HA   LEU 101           HA       LEU 101   5.940  15.944  -1.315
  771   1HB   LEU 101          2HB       LEU 101   6.286  15.153  -3.786
  772   2HB   LEU 101          1HB       LEU 101   5.818  14.022  -2.534
  773    HG   LEU 101           HG       LEU 101   3.395  14.435  -3.322
  774   1HD1  LEU 101          1HD1      LEU 101   4.879  15.469  -5.737
  775   2HD1  LEU 101          2HD1      LEU 101   3.776  16.381  -4.707
  776   3HD1  LEU 101          3HD1      LEU 101   3.166  15.050  -5.689
  777   1HD2  LEU 101          1HD2      LEU 101   3.585  12.692  -5.003
  778   2HD2  LEU 101          2HD2      LEU 101   4.632  12.344  -3.624
  779   3HD2  LEU 101          3HD2      LEU 101   5.323  12.969  -5.124
  780    H    ASP 102           H        ASP 102   7.461  17.244  -2.517
  781    HA   ASP 102           HA       ASP 102   6.253  19.594  -3.809
  782   1HB   ASP 102          2HB       ASP 102   6.447  19.855  -1.276
  783   2HB   ASP 102          1HB       ASP 102   8.192  19.847  -1.501
  784    H    ALA 103           H        ALA 103   8.013  21.166  -4.547
  785    HA   ALA 103           HA       ALA 103   9.760  21.656  -5.895
  786   1HB   ALA 103          1HB       ALA 103  10.979  21.302  -3.793
  787   2HB   ALA 103          2HB       ALA 103  11.952  20.911  -5.211
  788   3HB   ALA 103          3HB       ALA 103  11.244  19.617  -4.244
  789    H    ASP 104           H        ASP 104  10.772  18.273  -5.497
  790    HA   ASP 104           HA       ASP 104  10.903  18.018  -8.405
  791   1HB   ASP 104          2HB       ASP 104  11.816  16.084  -6.257
  792   2HB   ASP 104          1HB       ASP 104  12.198  15.995  -7.974
  793    H    GLY 105           H        GLY 105   8.718  17.301  -5.956
  794   1HA   GLY 105          2HA       GLY 105   6.662  16.202  -6.135
  795   2HA   GLY 105          1HA       GLY 105   7.184  15.524  -7.670
  796    H    VAL 106           H        VAL 106   9.200  15.276  -4.843
  797    HA   VAL 106           HA       VAL 106   8.803  12.361  -4.818
  798    HB   VAL 106           HB       VAL 106  11.023  14.003  -3.568
  799   1HG1  VAL 106          1HG1      VAL 106  10.666  11.899  -2.382
  800   2HG1  VAL 106          2HG1      VAL 106  12.182  11.854  -3.283
  801   3HG1  VAL 106          3HG1      VAL 106  10.763  11.009  -3.902
  802   1HG2  VAL 106          1HG2      VAL 106  12.430  13.144  -5.391
  803   2HG2  VAL 106          2HG2      VAL 106  11.094  14.120  -6.003
  804   3HG2  VAL 106          3HG2      VAL 106  11.020  12.360  -6.105
  805    HA   PRO 107           HA       PRO 107   6.515  12.889  -0.978
  806   1HB   PRO 107          2HB       PRO 107   6.309  10.252  -0.329
  807   2HB   PRO 107          1HB       PRO 107   5.312  11.022  -1.568
  808   1HG   PRO 107          2HG       PRO 107   7.803   9.386  -1.893
  809   2HG   PRO 107          1HG       PRO 107   6.287   9.306  -2.811
  810   1HD   PRO 107          2HD       PRO 107   8.467  10.588  -3.761
  811   2HD   PRO 107          1HD       PRO 107   6.821  11.166  -4.094
  812    H    GLN 108           H        GLN 108   7.039  13.062   1.158
  813    HA   GLN 108           HA       GLN 108   9.839  12.659   1.810
  814   1HB   GLN 108          2HB       GLN 108   7.638  13.926   3.455
  815   2HB   GLN 108          1HB       GLN 108   9.357  13.970   3.829
  816   1HG   GLN 108          2HG       GLN 108   8.007  15.225   1.438
  817   2HG   GLN 108          1HG       GLN 108   8.644  16.068   2.849
  818   1HE2  GLN 108          1HE2      GLN 108   9.336  16.383   0.039
  819   2HE2  GLN 108          2HE2      GLN 108  11.030  16.085  -0.079
  820    H    LEU 109           H        LEU 109   9.968  10.362   1.988
  821    HA   LEU 109           HA       LEU 109   8.553   9.152   4.244
  822   1HB   LEU 109          2HB       LEU 109  10.112   8.043   1.953
  823   2HB   LEU 109          1HB       LEU 109   9.974   7.082   3.413
  824    HG   LEU 109           HG       LEU 109   7.489   7.232   3.232
  825   1HD1  LEU 109          1HD1      LEU 109   8.066   8.488   0.552
  826   2HD1  LEU 109          2HD1      LEU 109   7.311   9.276   1.938
  827   3HD1  LEU 109          3HD1      LEU 109   6.487   7.946   1.125
  828   1HD2  LEU 109          1HD2      LEU 109   8.911   6.034   0.853
  829   2HD2  LEU 109          2HD2      LEU 109   7.278   5.631   1.389
  830   3HD2  LEU 109          3HD2      LEU 109   8.659   5.266   2.422
  831    H    GLY 110           H        GLY 110  11.397  10.835   3.847
  832   1HA   GLY 110          2HA       GLY 110  13.241   9.469   5.463
  833   2HA   GLY 110          1HA       GLY 110  13.160  11.215   5.276
  834    H    ASP 111           H        ASP 111  10.531  11.546   6.360
  835    HA   ASP 111           HA       ASP 111  11.010  11.465   9.180
  836   1HB   ASP 111          2HB       ASP 111   8.403  11.973   7.716
  837   2HB   ASP 111          1HB       ASP 111   8.779  12.427   9.376
  838    H    HIS 112           H        HIS 112   9.381   9.391   6.911
  839    HA   HIS 112           HA       HIS 112   7.809   7.902   8.764
  840   1HB   HIS 112          2HB       HIS 112   8.679   7.422   5.909
  841   2HB   HIS 112          1HB       HIS 112   7.650   6.296   6.782
  842    HD1  HIS 112           HD1      HIS 112   7.606   9.966   5.714
  843    HD2  HIS 112           HD2      HIS 112   5.040   6.838   6.602
  844    HE1  HIS 112           HE1      HIS 112   5.314  10.822   5.189
  845    HE2  HIS 112           HE2      HIS 112   3.765   8.994   5.948
  846    H    LEU 113           H        LEU 113  10.962   7.345   7.211
  847    HA   LEU 113           HA       LEU 113  11.163   4.682   8.347
  848   1HB   LEU 113          2HB       LEU 113  13.207   6.183   6.708
  849   2HB   LEU 113          1HB       LEU 113  13.166   4.457   7.021
  850    HG   LEU 113           HG       LEU 113  11.243   6.041   5.310
  851   1HD1  LEU 113          1HD1      LEU 113  13.360   5.560   4.227
  852   2HD1  LEU 113          2HD1      LEU 113  12.066   4.606   3.504
  853   3HD1  LEU 113          3HD1      LEU 113  13.200   3.848   4.622
  854   1HD2  LEU 113          1HD2      LEU 113   9.956   4.388   6.513
  855   2HD2  LEU 113          2HD2      LEU 113  11.117   3.126   6.093
  856   3HD2  LEU 113          3HD2      LEU 113  10.142   3.883   4.833
  857    H    ALA 114           H        ALA 114  13.430   4.056   9.230
  858    HA   ALA 114           HA       ALA 114  13.788   5.584  11.651
  859   1HB   ALA 114          1HB       ALA 114  15.221   3.100  10.692
  860   2HB   ALA 114          2HB       ALA 114  13.776   3.138  11.704
  861   3HB   ALA 114          3HB       ALA 114  15.299   3.780  12.318
  862    H    LEU 115           H        LEU 115  14.937   7.421  11.537
  863    HA   LEU 115           HA       LEU 115  17.259   7.627   9.783
  864   1HB   LEU 115          2HB       LEU 115  15.633   9.444   9.786
  865   2HB   LEU 115          1HB       LEU 115  15.872   9.681  11.506
  866    HG   LEU 115           HG       LEU 115  18.217  10.366  11.071
  867   1HD1  LEU 115          1HD1      LEU 115  18.925  10.860   8.774
  868   2HD1  LEU 115          2HD1      LEU 115  17.435  10.138   8.163
  869   3HD1  LEU 115          3HD1      LEU 115  18.616   9.140   9.012
  870   1HD2  LEU 115          1HD2      LEU 115  17.687  12.551  10.090
  871   2HD2  LEU 115          2HD2      LEU 115  16.472  12.055  11.267
  872   3HD2  LEU 115          3HD2      LEU 115  16.130  11.927   9.541
  873    H    GLU 116           H        GLU 116  16.504   7.683  13.227
  874    HA   GLU 116           HA       GLU 116  19.115   8.568  14.015
  875   1HB   GLU 116          2HB       GLU 116  16.765   7.520  15.583
  876   2HB   GLU 116          1HB       GLU 116  18.277   8.001  16.344
  877   1HG   GLU 116          2HG       GLU 116  16.459   9.765  14.708
  878   2HG   GLU 116          1HG       GLU 116  16.656   9.797  16.461
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1   5.947  -4.740  14.494
    2   2H    MET   1          2H        MET   1   6.281  -3.087  14.601
    3   3H    MET   1          3H        MET   1   6.819  -4.139  15.813
    4    HA   MET   1           HA       MET   1   8.649  -3.531  14.412
    5   1HB   MET   1          2HB       MET   1   8.649  -5.763  15.380
    6   2HB   MET   1          1HB       MET   1   7.713  -6.381  14.029
    7   1HG   MET   1          2HG       MET   1   9.597  -5.894  12.522
    8   2HG   MET   1          1HG       MET   1  10.530  -5.312  13.899
    9   1HE   MET   1          1HE       MET   1  12.474  -7.026  13.156
   10   2HE   MET   1          2HE       MET   1  11.468  -7.620  11.834
   11   3HE   MET   1          3HE       MET   1  12.210  -8.759  12.957
   12    H    THR   2           H        THR   2   6.660  -5.720  12.364
   13    HA   THR   2           HA       THR   2   7.996  -4.602  10.026
   14    HB   THR   2           HB       THR   2   6.048  -6.917  10.178
   15    HG1  THR   2           HG1      THR   2   8.844  -7.147   9.802
   16   1HG2  THR   2          1HG2      THR   2   6.957  -7.521   7.971
   17   2HG2  THR   2          2HG2      THR   2   7.935  -6.056   7.971
   18   3HG2  THR   2          3HG2      THR   2   6.176  -5.942   7.930
   19    H    LEU   3           H        LEU   3   7.086  -2.615   9.633
   20    HA   LEU   3           HA       LEU   3   4.212  -2.394   9.158
   21   1HB   LEU   3          2HB       LEU   3   6.406  -0.330   8.839
   22   2HB   LEU   3          1HB       LEU   3   4.684  -0.018   8.733
   23    HG   LEU   3           HG       LEU   3   6.157  -0.913  11.217
   24   1HD1  LEU   3          1HD1      LEU   3   5.670   1.333  12.054
   25   2HD1  LEU   3          2HD1      LEU   3   4.962   1.763  10.496
   26   3HD1  LEU   3          3HD1      LEU   3   6.681   1.385  10.610
   27   1HD2  LEU   3          1HD2      LEU   3   3.254  -0.179  10.808
   28   2HD2  LEU   3          2HD2      LEU   3   4.026  -0.463  12.369
   29   3HD2  LEU   3          3HD2      LEU   3   3.889  -1.778  11.202
   30    H    ILE   4           H        ILE   4   3.393  -2.914   7.207
   31    HA   ILE   4           HA       ILE   4   5.117  -2.847   4.841
   32    HB   ILE   4           HB       ILE   4   3.242  -3.939   3.660
   33   1HG1  ILE   4          2HG1      ILE   4   1.906  -3.933   6.388
   34   2HG1  ILE   4          1HG1      ILE   4   1.367  -3.038   4.971
   35   1HG2  ILE   4          1HG2      ILE   4   4.983  -5.292   4.674
   36   2HG2  ILE   4          2HG2      ILE   4   3.429  -6.115   4.799
   37   3HG2  ILE   4          3HG2      ILE   4   4.115  -5.307   6.209
   38   1HD1  ILE   4          1HD1      ILE   4   0.017  -5.018   5.319
   39   2HD1  ILE   4          2HD1      ILE   4   1.456  -6.037   5.240
   40   3HD1  ILE   4          3HD1      ILE   4   0.927  -5.146   3.813
   41    H    TYR   5           H        TYR   5   4.601  -1.658   2.958
   42    HA   TYR   5           HA       TYR   5   2.778   0.619   3.420
   43   1HB   TYR   5          2HB       TYR   5   5.542   0.707   2.187
   44   2HB   TYR   5          1HB       TYR   5   4.434   2.070   2.291
   45    HD1  TYR   5           HD1      TYR   5   6.647  -0.165   4.203
   46    HD2  TYR   5           HD2      TYR   5   4.093   3.238   4.386
   47    HE1  TYR   5           HE1      TYR   5   7.562   0.397   6.417
   48    HE2  TYR   5           HE2      TYR   5   5.002   3.807   6.600
   49    HH   TYR   5           HH       TYR   5   6.130   2.649   8.485
   50    H    LYS   6           H        LYS   6   1.408   1.094   1.823
   51    HA   LYS   6           HA       LYS   6   2.040   0.219  -0.931
   52   1HB   LYS   6          2HB       LYS   6   0.290  -1.263  -0.019
   53   2HB   LYS   6          1HB       LYS   6  -0.700   0.139   0.369
   54   1HG   LYS   6          2HG       LYS   6  -0.646   0.688  -2.120
   55   2HG   LYS   6          1HG       LYS   6   0.030  -0.926  -2.354
   56   1HD   LYS   6          2HD       LYS   6  -1.958  -1.885  -1.236
   57   2HD   LYS   6          1HD       LYS   6  -2.633  -0.264  -1.084
   58   1HE   LYS   6          2HE       LYS   6  -2.054  -1.767  -3.637
   59   2HE   LYS   6          1HE       LYS   6  -3.630  -1.360  -2.977
   60   1HZ   LYS   6          1HZ       LYS   6  -1.619   0.570  -4.004
   61   2HZ   LYS   6          2HZ       LYS   6  -3.094   0.992  -3.294
   62   3HZ   LYS   6          3HZ       LYS   6  -3.079   0.141  -4.751
   63    H    ILE   7           H        ILE   7   2.319   2.004  -2.137
   64    HA   ILE   7           HA       ILE   7   0.902   4.465  -1.539
   65    HB   ILE   7           HB       ILE   7   2.059   5.087  -3.886
   66   1HG1  ILE   7          2HG1      ILE   7   4.329   4.022  -3.972
   67   2HG1  ILE   7          1HG1      ILE   7   3.790   2.854  -2.771
   68   1HG2  ILE   7          1HG2      ILE   7   3.949   5.978  -2.606
   69   2HG2  ILE   7          2HG2      ILE   7   3.480   4.980  -1.229
   70   3HG2  ILE   7          3HG2      ILE   7   2.404   6.257  -1.800
   71   1HD1  ILE   7          1HD1      ILE   7   2.645   3.207  -5.534
   72   2HD1  ILE   7          2HD1      ILE   7   2.114   2.024  -4.338
   73   3HD1  ILE   7          3HD1      ILE   7   3.740   1.927  -5.013
   74    H    LEU   8           H        LEU   8  -0.792   5.348  -2.646
   75    HA   LEU   8           HA       LEU   8  -1.594   4.438  -5.235
   76   1HB   LEU   8          2HB       LEU   8  -3.712   3.434  -4.704
   77   2HB   LEU   8          1HB       LEU   8  -2.450   2.572  -3.850
   78    HG   LEU   8           HG       LEU   8  -4.263   4.637  -2.571
   79   1HD1  LEU   8          1HD1      LEU   8  -5.565   2.707  -3.260
   80   2HD1  LEU   8          2HD1      LEU   8  -5.381   2.724  -1.508
   81   3HD1  LEU   8          3HD1      LEU   8  -4.410   1.621  -2.484
   82   1HD2  LEU   8          1HD2      LEU   8  -3.410   3.765  -0.463
   83   2HD2  LEU   8          2HD2      LEU   8  -2.094   4.386  -1.457
   84   3HD2  LEU   8          3HD2      LEU   8  -2.358   2.646  -1.332
   85    H    SER   9           H        SER   9  -3.374   5.638  -6.122
   86    HA   SER   9           HA       SER   9  -3.623   8.313  -5.167
   87   1HB   SER   9          2HB       SER   9  -5.308   6.856  -7.232
   88   2HB   SER   9          1HB       SER   9  -5.240   8.603  -7.001
   89    HG   SER   9           HG       SER   9  -3.175   8.632  -7.765
   90    H    ARG  10           H        ARG  10  -5.280   9.309  -4.051
   91    HA   ARG  10           HA       ARG  10  -6.655   7.945  -2.104
   92   1HB   ARG  10          2HB       ARG  10  -6.300  10.411  -2.152
   93   2HB   ARG  10          1HB       ARG  10  -7.568  10.545  -3.363
   94   1HG   ARG  10          2HG       ARG  10  -8.492  11.117  -1.226
   95   2HG   ARG  10          1HG       ARG  10  -9.166   9.563  -1.725
   96   1HD   ARG  10          2HD       ARG  10  -7.410   8.449  -0.317
   97   2HD   ARG  10          1HD       ARG  10  -6.963  10.046   0.284
   98    HE   ARG  10           HE       ARG  10  -9.753   9.383   0.586
   99   1HH1  ARG  10          1HH1      ARG  10  -6.635   9.282   2.043
  100   2HH1  ARG  10          2HH1      ARG  10  -7.270   9.053   3.635
  101   1HH2  ARG  10          1HH2      ARG  10 -10.548   9.095   2.619
  102   2HH2  ARG  10          2HH2      ARG  10  -9.459   8.974   3.963
  103    H    ALA  11           H        ALA  11  -7.835   8.786  -5.340
  104    HA   ALA  11           HA       ALA  11 -10.475   8.022  -5.200
  105   1HB   ALA  11          1HB       ALA  11 -10.336   7.539  -7.597
  106   2HB   ALA  11          2HB       ALA  11  -8.575   7.527  -7.492
  107   3HB   ALA  11          3HB       ALA  11  -9.465   9.017  -7.185
  108    H    GLU  12           H        GLU  12  -7.674   5.877  -5.787
  109    HA   GLU  12           HA       GLU  12  -9.187   3.487  -6.028
  110   1HB   GLU  12          2HB       GLU  12  -6.884   3.661  -6.879
  111   2HB   GLU  12          1HB       GLU  12  -6.279   3.854  -5.238
  112   1HG   GLU  12          2HG       GLU  12  -7.092   1.593  -4.689
  113   2HG   GLU  12          1HG       GLU  12  -7.648   1.402  -6.350
  114    H    TRP  13           H        TRP  13  -7.535   5.015  -3.268
  115    HA   TRP  13           HA       TRP  13  -7.910   2.891  -1.460
  116   1HB   TRP  13          2HB       TRP  13  -6.267   4.575  -0.962
  117   2HB   TRP  13          1HB       TRP  13  -7.492   5.842  -0.946
  118    HD1  TRP  13           HD1      TRP  13  -7.751   6.610   1.484
  119    HE1  TRP  13           HE1      TRP  13  -8.017   5.450   3.767
  120    HE3  TRP  13           HE3      TRP  13  -7.186   1.748   0.006
  121    HZ2  TRP  13           HZ2      TRP  13  -8.032   2.828   4.801
  122    HZ3  TRP  13           HZ3      TRP  13  -7.343  -0.026   1.705
  123    HH2  TRP  13           HH2      TRP  13  -7.752   0.507   4.050
  124    H    ASP  14           H        ASP  14  -9.804   5.923  -1.797
  125    HA   ASP  14           HA       ASP  14 -11.738   5.221   0.122
  126   1HB   ASP  14          2HB       ASP  14 -11.339   7.375  -1.768
  127   2HB   ASP  14          1HB       ASP  14 -13.034   6.894  -1.746
  128    H    ALA  15           H        ALA  15 -11.466   4.379  -3.278
  129    HA   ALA  15           HA       ALA  15 -14.038   3.275  -3.651
  130   1HB   ALA  15          1HB       ALA  15 -12.467   3.656  -5.498
  131   2HB   ALA  15          2HB       ALA  15 -13.039   1.988  -5.472
  132   3HB   ALA  15          3HB       ALA  15 -11.425   2.377  -4.875
  133    H    ALA  16           H        ALA  16 -10.987   1.676  -2.686
  134    HA   ALA  16           HA       ALA  16 -12.112  -0.832  -2.044
  135   1HB   ALA  16          1HB       ALA  16  -9.631   0.441  -0.877
  136   2HB   ALA  16          2HB       ALA  16  -9.700  -0.469  -2.386
  137   3HB   ALA  16          3HB       ALA  16 -10.035  -1.277  -0.855
  138    H    LYS  17           H        LYS  17 -11.693   2.112  -0.155
  139    HA   LYS  17           HA       LYS  17 -12.439   1.067   2.368
  140   1HB   LYS  17          2HB       LYS  17 -11.270   3.218   2.126
  141   2HB   LYS  17          1HB       LYS  17 -12.676   3.899   1.317
  142   1HG   LYS  17          2HG       LYS  17 -13.998   3.622   3.350
  143   2HG   LYS  17          1HG       LYS  17 -12.612   2.901   4.164
  144   1HD   LYS  17          2HD       LYS  17 -12.681   5.710   3.052
  145   2HD   LYS  17          1HD       LYS  17 -12.983   5.292   4.738
  146   1HE   LYS  17          2HE       LYS  17 -10.692   4.236   4.768
  147   2HE   LYS  17          1HE       LYS  17 -10.423   4.965   3.184
  148   1HZ   LYS  17          1HZ       LYS  17  -9.545   6.343   4.971
  149   2HZ   LYS  17          2HZ       LYS  17 -11.079   6.449   5.673
  150   3HZ   LYS  17          3HZ       LYS  17 -10.795   7.140   4.159
  151    H    ALA  18           H        ALA  18 -14.325   2.519  -0.269
  152    HA   ALA  18           HA       ALA  18 -16.847   2.505   0.960
  153   1HB   ALA  18          1HB       ALA  18 -17.780   2.496  -1.301
  154   2HB   ALA  18          2HB       ALA  18 -16.206   2.041  -1.957
  155   3HB   ALA  18          3HB       ALA  18 -16.419   3.612  -1.185
  156    H    GLN  19           H        GLN  19 -15.117  -0.033  -0.794
  157    HA   GLN  19           HA       GLN  19 -17.105  -2.066  -0.501
  158   1HB   GLN  19          2HB       GLN  19 -14.111  -2.438  -0.793
  159   2HB   GLN  19          1HB       GLN  19 -15.364  -3.603  -1.200
  160   1HG   GLN  19          2HG       GLN  19 -16.136  -2.161  -2.986
  161   2HG   GLN  19          1HG       GLN  19 -14.920  -0.961  -2.573
  162   1HE2  GLN  19          1HE2      GLN  19 -13.923  -1.046  -4.564
  163   2HE2  GLN  19          2HE2      GLN  19 -12.999  -2.409  -5.092
  164    H    GLY  20           H        GLY  20 -14.636  -0.760   1.537
  165   1HA   GLY  20          2HA       GLY  20 -14.149  -1.156   3.766
  166   2HA   GLY  20          1HA       GLY  20 -15.357  -2.433   3.777
  167    H    ARG  21           H        ARG  21 -13.305  -2.847   1.156
  168    HA   ARG  21           HA       ARG  21 -11.343  -4.467   2.568
  169   1HB   ARG  21          2HB       ARG  21 -13.140  -6.010   2.635
  170   2HB   ARG  21          1HB       ARG  21 -13.635  -5.632   0.994
  171   1HG   ARG  21          2HG       ARG  21 -11.713  -6.789   0.098
  172   2HG   ARG  21          1HG       ARG  21 -11.087  -7.076   1.725
  173   1HD   ARG  21          2HD       ARG  21 -12.843  -8.568   2.248
  174   2HD   ARG  21          1HD       ARG  21 -13.806  -8.046   0.867
  175    HE   ARG  21           HE       ARG  21 -11.757  -9.078  -0.407
  176   1HH1  ARG  21          1HH1      ARG  21 -13.331 -10.314   2.396
  177   2HH1  ARG  21          2HH1      ARG  21 -13.075 -11.960   1.939
  178   1HH2  ARG  21          1HH2      ARG  21 -11.457 -11.186  -0.993
  179   2HH2  ARG  21          2HH2      ARG  21 -12.036 -12.451   0.039
  180    H    PHE  22           H        PHE  22  -9.520  -4.817   1.400
  181    HA   PHE  22           HA       PHE  22  -9.550  -4.207  -1.492
  182   1HB   PHE  22          2HB       PHE  22  -8.358  -2.430  -0.350
  183   2HB   PHE  22          1HB       PHE  22  -7.398  -3.594   0.558
  184    HD1  PHE  22           HD1      PHE  22  -8.092  -2.397  -2.894
  185    HD2  PHE  22           HD2      PHE  22  -5.341  -4.344  -0.285
  186    HE1  PHE  22           HE1      PHE  22  -6.389  -2.370  -4.665
  187    HE2  PHE  22           HE2      PHE  22  -3.639  -4.320  -2.052
  188    HZ   PHE  22           HZ       PHE  22  -4.165  -3.333  -4.243
  189    H    GLU  23           H        GLU  23  -8.510  -5.644  -2.845
  190    HA   GLU  23           HA       GLU  23  -6.666  -7.612  -1.798
  191   1HB   GLU  23          2HB       GLU  23  -7.957  -9.561  -2.647
  192   2HB   GLU  23          1HB       GLU  23  -8.724  -8.743  -1.294
  193   1HG   GLU  23          2HG       GLU  23 -10.093  -7.499  -3.092
  194   2HG   GLU  23          1HG       GLU  23  -9.536  -8.767  -4.182
  195    H    GLY  24           H        GLY  24  -5.399  -6.248  -3.263
  196   1HA   GLY  24          2HA       GLY  24  -4.067  -6.371  -5.179
  197   2HA   GLY  24          1HA       GLY  24  -5.238  -7.459  -5.904
  198    H    SER  25           H        SER  25  -3.921  -4.417  -6.092
  199    HA   SER  25           HA       SER  25  -6.156  -2.898  -7.009
  200   1HB   SER  25          2HB       SER  25  -3.187  -2.544  -7.537
  201   2HB   SER  25          1HB       SER  25  -4.429  -1.359  -7.942
  202    HG   SER  25           HG       SER  25  -4.534  -0.770  -5.926
  203    H    ALA  26           H        ALA  26  -5.850  -1.907  -9.413
  204    HA   ALA  26           HA       ALA  26  -6.749  -3.729 -11.244
  205   1HB   ALA  26          1HB       ALA  26  -6.770  -1.289 -11.578
  206   2HB   ALA  26          2HB       ALA  26  -6.157  -2.146 -12.992
  207   3HB   ALA  26          3HB       ALA  26  -5.036  -1.329 -11.902
  208    H    VAL  27           H        VAL  27  -3.343  -2.725 -10.879
  209    HA   VAL  27           HA       VAL  27  -2.331  -4.558 -12.817
  210    HB   VAL  27           HB       VAL  27  -0.833  -3.226 -10.552
  211   1HG1  VAL  27          1HG1      VAL  27   1.140  -3.513 -12.017
  212   2HG1  VAL  27          2HG1      VAL  27   0.143  -4.430 -13.147
  213   3HG1  VAL  27          3HG1      VAL  27   0.432  -5.051 -11.522
  214   1HG2  VAL  27          1HG2      VAL  27  -1.976  -1.551 -11.889
  215   2HG2  VAL  27          2HG2      VAL  27  -1.333  -2.256 -13.371
  216   3HG2  VAL  27          3HG2      VAL  27  -0.244  -1.495 -12.212
  217    H    ASP  28           H        ASP  28  -2.272  -4.575  -9.244
  218    HA   ASP  28           HA       ASP  28  -0.897  -6.949  -8.823
  219   1HB   ASP  28          2HB       ASP  28  -3.114  -5.750  -7.141
  220   2HB   ASP  28          1HB       ASP  28  -1.957  -6.961  -6.592
  221    H    LEU  29           H        LEU  29  -4.445  -6.539  -8.881
  222    HA   LEU  29           HA       LEU  29  -5.100  -9.265  -8.667
  223   1HB   LEU  29          2HB       LEU  29  -6.673  -7.389  -8.270
  224   2HB   LEU  29          1HB       LEU  29  -6.688  -7.057  -9.991
  225    HG   LEU  29           HG       LEU  29  -7.694  -9.290 -10.395
  226   1HD1  LEU  29          1HD1      LEU  29  -8.592 -10.576  -8.516
  227   2HD1  LEU  29          2HD1      LEU  29  -7.827  -9.460  -7.383
  228   3HD1  LEU  29          3HD1      LEU  29  -6.834 -10.463  -8.440
  229   1HD2  LEU  29          1HD2      LEU  29  -9.213  -7.546  -8.449
  230   2HD2  LEU  29          2HD2      LEU  29  -9.921  -8.749  -9.529
  231   3HD2  LEU  29          3HD2      LEU  29  -9.127  -7.324 -10.198
  232    H    ALA  30           H        ALA  30  -4.477  -7.225 -11.502
  233    HA   ALA  30           HA       ALA  30  -5.054  -9.260 -13.434
  234   1HB   ALA  30          1HB       ALA  30  -3.420  -6.731 -13.666
  235   2HB   ALA  30          2HB       ALA  30  -5.137  -6.912 -14.033
  236   3HB   ALA  30          3HB       ALA  30  -3.933  -7.739 -15.021
  237    H    ASP  31           H        ASP  31  -2.368  -8.670 -11.381
  238    HA   ASP  31           HA       ASP  31  -0.439 -10.061 -13.064
  239   1HB   ASP  31          2HB       ASP  31   0.243  -8.069 -11.779
  240   2HB   ASP  31          1HB       ASP  31  -0.153  -8.901 -10.279
  241    H    GLY  32           H        GLY  32  -1.994 -10.540  -9.895
  242   1HA   GLY  32          2HA       GLY  32  -2.632 -13.112  -9.874
  243   2HA   GLY  32          1HA       GLY  32  -0.890 -13.244  -9.705
  244    H    PHE  33           H        PHE  33  -0.485 -10.977  -8.044
  245    HA   PHE  33           HA       PHE  33  -2.062 -11.401  -5.631
  246   1HB   PHE  33          2HB       PHE  33  -0.022 -11.908  -4.264
  247   2HB   PHE  33          1HB       PHE  33  -0.443 -13.183  -5.402
  248    HD1  PHE  33           HD1      PHE  33   0.910 -13.542  -7.426
  249    HD2  PHE  33           HD2      PHE  33   2.032 -10.681  -4.474
  250    HE1  PHE  33           HE1      PHE  33   3.177 -13.455  -8.372
  251    HE2  PHE  33           HE2      PHE  33   4.299 -10.597  -5.418
  252    HZ   PHE  33           HZ       PHE  33   4.876 -11.982  -7.368
  253    H    ILE  34           H        ILE  34  -0.877 -10.042  -3.751
  254    HA   ILE  34           HA       ILE  34  -0.715  -7.341  -4.819
  255    HB   ILE  34           HB       ILE  34  -0.609  -8.241  -1.930
  256   1HG1  ILE  34          2HG1      ILE  34  -2.978  -7.278  -3.568
  257   2HG1  ILE  34          1HG1      ILE  34  -2.705  -8.938  -3.046
  258   1HG2  ILE  34          1HG2      ILE  34  -1.272  -5.910  -1.442
  259   2HG2  ILE  34          2HG2      ILE  34  -1.128  -5.526  -3.158
  260   3HG2  ILE  34          3HG2      ILE  34   0.299  -6.007  -2.238
  261   1HD1  ILE  34          1HD1      ILE  34  -3.180  -6.570  -1.243
  262   2HD1  ILE  34          2HD1      ILE  34  -2.898  -8.230  -0.713
  263   3HD1  ILE  34          3HD1      ILE  34  -4.343  -7.834  -1.644
  264    H    HIS  35           H        HIS  35   1.112  -6.252  -5.171
  265    HA   HIS  35           HA       HIS  35   3.648  -7.325  -4.096
  266   1HB   HIS  35          2HB       HIS  35   4.734  -6.100  -6.003
  267   2HB   HIS  35          1HB       HIS  35   3.657  -7.402  -6.494
  268    HD1  HIS  35           HD1      HIS  35   3.896  -3.657  -6.426
  269    HD2  HIS  35           HD2      HIS  35   1.479  -6.617  -8.029
  270    HE1  HIS  35           HE1      HIS  35   2.363  -2.473  -8.013
  271    HE2  HIS  35           HE2      HIS  35   0.704  -4.240  -8.677
  272    H    LEU  36           H        LEU  36   3.706  -6.238  -2.136
  273    HA   LEU  36           HA       LEU  36   3.255  -3.394  -1.971
  274   1HB   LEU  36          2HB       LEU  36   4.314  -5.344   0.080
  275   2HB   LEU  36          1HB       LEU  36   3.840  -3.687   0.411
  276    HG   LEU  36           HG       LEU  36   1.964  -5.838  -0.597
  277   1HD1  LEU  36          1HD1      LEU  36   1.034  -5.832   1.664
  278   2HD1  LEU  36          2HD1      LEU  36   2.299  -4.719   2.183
  279   3HD1  LEU  36          3HD1      LEU  36   2.720  -6.348   1.656
  280   1HD2  LEU  36          1HD2      LEU  36   1.263  -3.607  -1.260
  281   2HD2  LEU  36          2HD2      LEU  36   1.439  -3.034   0.399
  282   3HD2  LEU  36          3HD2      LEU  36   0.201  -4.228   0.005
  283    H    SER  37           H        SER  37   4.930  -2.041  -0.719
  284    HA   SER  37           HA       SER  37   7.675  -2.633  -1.640
  285   1HB   SER  37          2HB       SER  37   6.260   0.040  -1.885
  286   2HB   SER  37          1HB       SER  37   7.962  -0.246  -2.251
  287    HG   SER  37           HG       SER  37   6.492  -2.040  -3.570
  288    H    ALA  38           H        ALA  38   9.053  -2.615   0.018
  289    HA   ALA  38           HA       ALA  38   8.201  -1.675   2.609
  290   1HB   ALA  38          1HB       ALA  38  10.851  -2.878   1.813
  291   2HB   ALA  38          2HB       ALA  38   9.430  -3.793   2.315
  292   3HB   ALA  38          3HB       ALA  38  10.220  -2.700   3.451
  293    H    GLY  39           H        GLY  39   8.173   0.526   2.758
  294   1HA   GLY  39          2HA       GLY  39   8.966   2.659   3.074
  295   2HA   GLY  39          1HA       GLY  39  10.360   1.838   3.746
  296    H    GLU  40           H        GLU  40  12.233   1.650   2.534
  297    HA   GLU  40           HA       GLU  40  13.075   3.660   0.880
  298   1HB   GLU  40          2HB       GLU  40  14.620   2.085   1.886
  299   2HB   GLU  40          1HB       GLU  40  13.962   0.763   0.932
  300   1HG   GLU  40          2HG       GLU  40  14.795   1.866  -1.118
  301   2HG   GLU  40          1HG       GLU  40  15.518   3.124  -0.116
  302    H    GLN  41           H        GLN  41  11.989   0.452  -0.246
  303    HA   GLN  41           HA       GLN  41  12.139   1.030  -3.006
  304   1HB   GLN  41          2HB       GLN  41  10.481  -1.040  -1.538
  305   2HB   GLN  41          1HB       GLN  41  10.728  -1.010  -3.281
  306   1HG   GLN  41          2HG       GLN  41  13.109  -1.357  -2.983
  307   2HG   GLN  41          1HG       GLN  41  12.924  -1.281  -1.232
  308   1HE2  GLN  41          1HE2      GLN  41  12.029  -3.033  -0.151
  309   2HE2  GLN  41          2HE2      GLN  41  11.840  -4.579  -0.888
  310    H    ALA  42           H        ALA  42   9.704   1.754  -0.637
  311    HA   ALA  42           HA       ALA  42   7.516   2.119  -2.442
  312   1HB   ALA  42          1HB       ALA  42   7.164   1.658  -0.067
  313   2HB   ALA  42          2HB       ALA  42   6.374   3.160  -0.553
  314   3HB   ALA  42          3HB       ALA  42   7.891   3.211   0.348
  315    H    GLN  43           H        GLN  43   9.603   4.476  -0.708
  316    HA   GLN  43           HA       GLN  43   8.500   6.723  -2.055
  317   1HB   GLN  43          2HB       GLN  43   9.604   6.932   0.125
  318   2HB   GLN  43          1HB       GLN  43  11.146   6.491  -0.601
  319   1HG   GLN  43          2HG       GLN  43  11.256   8.503  -1.837
  320   2HG   GLN  43          1HG       GLN  43   9.564   8.877  -1.522
  321   1HE2  GLN  43          1HE2      GLN  43  10.041  10.881  -0.691
  322   2HE2  GLN  43          2HE2      GLN  43  10.760  11.098   0.860
  323    H    GLU  44           H        GLU  44  11.221   4.603  -2.797
  324    HA   GLU  44           HA       GLU  44  12.300   6.195  -4.880
  325   1HB   GLU  44          2HB       GLU  44  13.487   4.255  -3.865
  326   2HB   GLU  44          1HB       GLU  44  12.357   3.176  -4.676
  327   1HG   GLU  44          2HG       GLU  44  13.106   4.050  -6.850
  328   2HG   GLU  44          1HG       GLU  44  14.264   5.087  -6.021
  329    H    THR  45           H        THR  45   9.922   3.522  -4.951
  330    HA   THR  45           HA       THR  45   9.318   3.633  -7.697
  331    HB   THR  45           HB       THR  45   7.510   2.850  -5.388
  332    HG1  THR  45           HG1      THR  45   8.776   1.158  -5.425
  333   1HG2  THR  45          1HG2      THR  45   7.160   2.293  -8.344
  334   2HG2  THR  45          2HG2      THR  45   6.197   3.431  -7.405
  335   3HG2  THR  45          3HG2      THR  45   6.124   1.706  -7.045
  336    H    ALA  46           H        ALA  46   7.998   5.457  -4.959
  337    HA   ALA  46           HA       ALA  46   6.048   6.914  -6.389
  338   1HB   ALA  46          1HB       ALA  46   6.075   6.782  -3.947
  339   2HB   ALA  46          2HB       ALA  46   6.075   8.460  -4.492
  340   3HB   ALA  46          3HB       ALA  46   7.567   7.722  -3.906
  341    H    ALA  47           H        ALA  47   9.502   7.486  -5.865
  342    HA   ALA  47           HA       ALA  47   9.529  10.021  -7.219
  343   1HB   ALA  47          1HB       ALA  47  11.960   9.848  -7.069
  344   2HB   ALA  47          2HB       ALA  47  11.818   8.166  -6.557
  345   3HB   ALA  47          3HB       ALA  47  11.204   9.456  -5.525
  346    H    LYS  48           H        LYS  48   9.797   6.690  -8.204
  347    HA   LYS  48           HA       LYS  48  10.854   7.271 -10.827
  348   1HB   LYS  48          2HB       LYS  48   9.911   4.806  -9.407
  349   2HB   LYS  48          1HB       LYS  48  10.095   4.773 -11.148
  350   1HG   LYS  48          2HG       LYS  48  12.468   5.428 -10.881
  351   2HG   LYS  48          1HG       LYS  48  12.260   5.351  -9.128
  352   1HD   LYS  48          2HD       LYS  48  11.870   3.013  -9.179
  353   2HD   LYS  48          1HD       LYS  48  11.632   3.010 -10.927
  354   1HE   LYS  48          2HE       LYS  48  13.785   2.064 -10.453
  355   2HE   LYS  48          1HE       LYS  48  14.022   3.641 -11.197
  356   1HZ   LYS  48          1HZ       LYS  48  15.522   3.361  -9.368
  357   2HZ   LYS  48          2HZ       LYS  48  14.256   3.004  -8.310
  358   3HZ   LYS  48          3HZ       LYS  48  14.398   4.556  -8.966
  359    H    TRP  49           H        TRP  49   7.814   5.637  -9.877
  360    HA   TRP  49           HA       TRP  49   6.712   6.207 -12.503
  361   1HB   TRP  49          2HB       TRP  49   5.593   4.569 -10.223
  362   2HB   TRP  49          1HB       TRP  49   4.919   4.653 -11.847
  363    HD1  TRP  49           HD1      TRP  49   7.755   3.084  -9.858
  364    HE1  TRP  49           HE1      TRP  49   8.904   1.291 -11.298
  365    HE3  TRP  49           HE3      TRP  49   5.467   4.040 -14.325
  366    HZ2  TRP  49           HZ2      TRP  49   8.854   0.400 -13.976
  367    HZ3  TRP  49           HZ3      TRP  49   6.074   2.677 -16.281
  368    HH2  TRP  49           HH2      TRP  49   7.734   0.894 -16.110
  369    H    PHE  50           H        PHE  50   6.152   7.210  -9.186
  370    HA   PHE  50           HA       PHE  50   3.648   8.555  -9.956
  371   1HB   PHE  50          2HB       PHE  50   4.800   7.972  -7.215
  372   2HB   PHE  50          1HB       PHE  50   3.259   8.768  -7.515
  373    HD1  PHE  50           HD1      PHE  50   5.090   5.580  -7.719
  374    HD2  PHE  50           HD2      PHE  50   1.320   7.517  -8.179
  375    HE1  PHE  50           HE1      PHE  50   3.973   3.390  -7.800
  376    HE2  PHE  50           HE2      PHE  50   0.202   5.329  -8.259
  377    HZ   PHE  50           HZ       PHE  50   1.529   3.259  -8.069
  378    H    ARG  51           H        ARG  51   6.597   9.469 -10.318
  379    HA   ARG  51           HA       ARG  51   7.128  11.647  -8.650
  380   1HB   ARG  51          2HB       ARG  51   8.752  10.527 -10.194
  381   2HB   ARG  51          1HB       ARG  51   7.978  11.339 -11.543
  382   1HG   ARG  51          2HG       ARG  51   9.067  12.966  -9.277
  383   2HG   ARG  51          1HG       ARG  51  10.168  12.305 -10.483
  384   1HD   ARG  51          2HD       ARG  51   8.853  13.431 -12.255
  385   2HD   ARG  51          1HD       ARG  51   7.818  14.133 -11.012
  386    HE   ARG  51           HE       ARG  51  10.068  15.113 -10.180
  387   1HH1  ARG  51          1HH1      ARG  51   9.195  14.636 -13.487
  388   2HH1  ARG  51          2HH1      ARG  51  10.123  15.986 -14.034
  389   1HH2  ARG  51          1HH2      ARG  51  11.273  16.826 -10.913
  390   2HH2  ARG  51          2HH2      ARG  51  11.297  17.194 -12.604
  391    H    GLY  52           H        GLY  52   5.557  13.118  -8.298
  392   1HA   GLY  52          2HA       GLY  52   4.758  15.277  -8.792
  393   2HA   GLY  52          1HA       GLY  52   4.980  14.958 -10.501
  394    H    GLN  53           H        GLN  53   3.283  12.532  -8.695
  395    HA   GLN  53           HA       GLN  53   0.749  13.332  -9.910
  396   1HB   GLN  53          2HB       GLN  53   1.510  10.897  -8.284
  397   2HB   GLN  53          1HB       GLN  53  -0.087  11.173  -8.971
  398   1HG   GLN  53          2HG       GLN  53   0.949  11.239 -11.227
  399   2HG   GLN  53          1HG       GLN  53   2.495  10.825 -10.486
  400   1HE2  GLN  53          1HE2      GLN  53   2.630   8.899 -11.657
  401   2HE2  GLN  53          2HE2      GLN  53   1.636   7.533 -11.295
  402    H    ALA  54           H        ALA  54  -1.223  12.702  -8.257
  403    HA   ALA  54           HA       ALA  54  -0.762  14.244  -5.777
  404   1HB   ALA  54          1HB       ALA  54  -2.844  15.456  -6.113
  405   2HB   ALA  54          2HB       ALA  54  -3.117  14.604  -7.633
  406   3HB   ALA  54          3HB       ALA  54  -1.756  15.714  -7.477
  407    H    ASN  55           H        ASN  55  -2.384  13.941  -4.109
  408    HA   ASN  55           HA       ASN  55  -3.689  12.712  -2.724
  409   1HB   ASN  55          2HB       ASN  55  -4.796  11.840  -5.388
  410   2HB   ASN  55          1HB       ASN  55  -5.424  11.184  -3.881
  411   1HD2  ASN  55          1HD2      ASN  55  -4.272  14.465  -4.104
  412   2HD2  ASN  55          2HD2      ASN  55  -5.818  15.215  -3.969
  413    H    LEU  56           H        LEU  56  -1.077  11.677  -3.463
  414    HA   LEU  56           HA       LEU  56  -1.300   8.818  -3.635
  415   1HB   LEU  56          2HB       LEU  56   1.074  10.567  -2.978
  416   2HB   LEU  56          1HB       LEU  56   1.149   8.834  -3.242
  417    HG   LEU  56           HG       LEU  56   0.420  10.941  -5.285
  418   1HD1  LEU  56          1HD1      LEU  56   2.811  10.765  -4.791
  419   2HD1  LEU  56          2HD1      LEU  56   2.442  10.197  -6.419
  420   3HD1  LEU  56          3HD1      LEU  56   2.755   9.034  -5.131
  421   1HD2  LEU  56          1HD2      LEU  56   0.467   7.933  -5.583
  422   2HD2  LEU  56          2HD2      LEU  56   0.253   9.093  -6.894
  423   3HD2  LEU  56          3HD2      LEU  56  -0.965   8.963  -5.627
  424    H    VAL  57           H        VAL  57  -2.409   7.990  -1.948
  425    HA   VAL  57           HA       VAL  57  -1.745   8.648   0.792
  426    HB   VAL  57           HB       VAL  57  -3.570   6.478  -0.280
  427   1HG1  VAL  57          1HG1      VAL  57  -4.526   6.455   1.984
  428   2HG1  VAL  57          2HG1      VAL  57  -3.318   7.631   2.507
  429   3HG1  VAL  57          3HG1      VAL  57  -2.818   6.017   1.999
  430   1HG2  VAL  57          1HG2      VAL  57  -4.320   8.700  -0.961
  431   2HG2  VAL  57          2HG2      VAL  57  -4.230   9.259   0.710
  432   3HG2  VAL  57          3HG2      VAL  57  -5.403   8.022   0.256
  433    H    LEU  58           H        LEU  58  -0.168   7.699   1.917
  434    HA   LEU  58           HA       LEU  58   0.985   5.171   1.012
  435   1HB   LEU  58          2HB       LEU  58   2.484   7.032   1.620
  436   2HB   LEU  58          1HB       LEU  58   1.821   7.036   3.242
  437    HG   LEU  58           HG       LEU  58   2.691   4.714   3.556
  438   1HD1  LEU  58          1HD1      LEU  58   2.793   4.016   1.235
  439   2HD1  LEU  58          2HD1      LEU  58   4.383   3.877   1.983
  440   3HD1  LEU  58          3HD1      LEU  58   4.032   5.224   0.899
  441   1HD2  LEU  58          1HD2      LEU  58   5.041   5.382   3.817
  442   2HD2  LEU  58          2HD2      LEU  58   3.932   6.617   4.412
  443   3HD2  LEU  58          3HD2      LEU  58   4.732   6.827   2.852
  444    H    LEU  59           H        LEU  59  -0.332   3.509   1.618
  445    HA   LEU  59           HA       LEU  59  -1.658   3.411   4.161
  446   1HB   LEU  59          2HB       LEU  59  -1.208   1.264   2.081
  447   2HB   LEU  59          1HB       LEU  59  -2.212   1.071   3.506
  448    HG   LEU  59           HG       LEU  59  -2.706   3.023   1.252
  449   1HD1  LEU  59          1HD1      LEU  59  -4.151   0.484   2.023
  450   2HD1  LEU  59          2HD1      LEU  59  -3.136   0.715   0.599
  451   3HD1  LEU  59          3HD1      LEU  59  -4.646   1.609   0.757
  452   1HD2  LEU  59          1HD2      LEU  59  -4.357   2.436   3.715
  453   2HD2  LEU  59          2HD2      LEU  59  -4.832   3.486   2.380
  454   3HD2  LEU  59          3HD2      LEU  59  -3.459   3.920   3.396
  455    H    ALA  60           H        ALA  60  -0.503   3.210   5.969
  456    HA   ALA  60           HA       ALA  60   1.757   1.319   6.062
  457   1HB   ALA  60          1HB       ALA  60   0.959   3.464   8.039
  458   2HB   ALA  60          2HB       ALA  60   2.227   3.603   6.822
  459   3HB   ALA  60          3HB       ALA  60   2.393   2.442   8.137
  460    H    VAL  61           H        VAL  61   1.244  -0.675   6.732
  461    HA   VAL  61           HA       VAL  61  -0.763  -0.986   8.891
  462    HB   VAL  61           HB       VAL  61  -0.333  -2.915   6.593
  463   1HG1  VAL  61          1HG1      VAL  61  -2.353  -4.027   7.437
  464   2HG1  VAL  61          2HG1      VAL  61  -2.419  -2.887   8.781
  465   3HG1  VAL  61          3HG1      VAL  61  -1.068  -4.013   8.644
  466   1HG2  VAL  61          1HG2      VAL  61  -1.372  -0.859   5.784
  467   2HG2  VAL  61          2HG2      VAL  61  -2.605  -0.970   7.040
  468   3HG2  VAL  61          3HG2      VAL  61  -2.528  -2.191   5.769
  469    H    GLU  62           H        GLU  62  -0.003  -2.024  10.666
  470    HA   GLU  62           HA       GLU  62   2.601  -3.231  10.676
  471   1HB   GLU  62          2HB       GLU  62   2.039  -3.850  13.044
  472   2HB   GLU  62          1HB       GLU  62   1.940  -2.134  12.683
  473   1HG   GLU  62          2HG       GLU  62  -0.449  -2.201  12.648
  474   2HG   GLU  62          1HG       GLU  62  -0.455  -3.961  12.737
  475    H    ALA  63           H        ALA  63   2.585  -4.936   9.246
  476    HA   ALA  63           HA       ALA  63   0.640  -7.051   9.394
  477   1HB   ALA  63          1HB       ALA  63   3.277  -6.953   7.922
  478   2HB   ALA  63          2HB       ALA  63   1.710  -6.471   7.272
  479   3HB   ALA  63          3HB       ALA  63   2.008  -8.157   7.695
  480    H    GLU  64           H        GLU  64   3.954  -6.569  10.501
  481    HA   GLU  64           HA       GLU  64   5.332  -7.701  11.885
  482   1HB   GLU  64          2HB       GLU  64   2.807  -9.120  12.776
  483   2HB   GLU  64          1HB       GLU  64   4.355  -9.194  13.607
  484   1HG   GLU  64          2HG       GLU  64   2.625  -6.756  13.224
  485   2HG   GLU  64          1HG       GLU  64   2.887  -7.638  14.725
  486    HA   PRO  65           HA       PRO  65   6.754 -11.450   9.913
  487   1HB   PRO  65          2HB       PRO  65   7.249 -12.533  12.651
  488   2HB   PRO  65          1HB       PRO  65   8.353 -12.397  11.277
  489   1HG   PRO  65          2HG       PRO  65   8.532 -10.720  13.344
  490   2HG   PRO  65          1HG       PRO  65   8.787 -10.152  11.683
  491   1HD   PRO  65          2HD       PRO  65   6.409  -9.790  13.465
  492   2HD   PRO  65          1HD       PRO  65   7.118  -8.676  12.283
  493    H    LEU  66           H        LEU  66   4.379 -11.801   9.435
  494    HA   LEU  66           HA       LEU  66   2.807 -13.565  10.994
  495   1HB   LEU  66          2HB       LEU  66   2.661 -12.903   8.048
  496   2HB   LEU  66          1HB       LEU  66   1.441 -13.817   8.917
  497    HG   LEU  66           HG       LEU  66   2.212 -10.952   9.514
  498   1HD1  LEU  66          1HD1      LEU  66   0.015 -10.385   8.579
  499   2HD1  LEU  66          2HD1      LEU  66  -0.217 -12.070   8.111
  500   3HD1  LEU  66          3HD1      LEU  66   1.073 -11.119   7.376
  501   1HD2  LEU  66          1HD2      LEU  66   1.430 -12.186  11.491
  502   2HD2  LEU  66          2HD2      LEU  66  -0.036 -12.645  10.623
  503   3HD2  LEU  66          3HD2      LEU  66   0.276 -10.948  10.994
  504    H    GLY  67           H        GLY  67   4.295 -14.313   7.800
  505   1HA   GLY  67          2HA       GLY  67   5.896 -16.358   8.208
  506   2HA   GLY  67          1HA       GLY  67   4.379 -17.143   8.594
  507    H    GLU  68           H        GLU  68   2.856 -17.516   6.898
  508    HA   GLU  68           HA       GLU  68   4.216 -18.155   4.434
  509   1HB   GLU  68          2HB       GLU  68   2.225 -19.471   3.964
  510   2HB   GLU  68          1HB       GLU  68   2.818 -19.811   5.575
  511   1HG   GLU  68          2HG       GLU  68   1.084 -18.387   6.523
  512   2HG   GLU  68          1HG       GLU  68   0.495 -18.008   4.906
  513    H    ASP  69           H        ASP  69   1.487 -16.109   5.425
  514    HA   ASP  69           HA       ASP  69   0.655 -15.563   2.733
  515   1HB   ASP  69          2HB       ASP  69  -0.964 -14.028   3.792
  516   2HB   ASP  69          1HB       ASP  69  -0.990 -15.633   4.511
  517    H    LEU  70           H        LEU  70   2.321 -13.663   5.247
  518    HA   LEU  70           HA       LEU  70   3.032 -11.609   3.315
  519   1HB   LEU  70          2HB       LEU  70   2.631 -10.996   5.665
  520   2HB   LEU  70          1HB       LEU  70   3.961 -12.025   6.166
  521    HG   LEU  70           HG       LEU  70   5.519 -10.580   4.856
  522   1HD1  LEU  70          1HD1      LEU  70   3.941  -9.673   3.239
  523   2HD1  LEU  70          2HD1      LEU  70   4.759  -8.376   4.109
  524   3HD1  LEU  70          3HD1      LEU  70   3.100  -8.804   4.524
  525   1HD2  LEU  70          1HD2      LEU  70   3.892  -9.186   6.981
  526   2HD2  LEU  70          2HD2      LEU  70   5.501  -8.709   6.438
  527   3HD2  LEU  70          3HD2      LEU  70   5.267 -10.258   7.245
  528    H    LYS  71           H        LYS  71   4.344 -12.412   1.769
  529    HA   LYS  71           HA       LYS  71   6.565 -14.179   2.564
  530   1HB   LYS  71          2HB       LYS  71   4.744 -15.002   0.982
  531   2HB   LYS  71          1HB       LYS  71   5.393 -13.883  -0.205
  532   1HG   LYS  71          2HG       LYS  71   6.241 -16.101  -0.615
  533   2HG   LYS  71          1HG       LYS  71   7.562 -15.052  -0.092
  534   1HD   LYS  71          2HD       LYS  71   7.531 -15.994   2.115
  535   2HD   LYS  71          1HD       LYS  71   6.049 -16.888   1.770
  536   1HE   LYS  71          2HE       LYS  71   8.038 -18.334   1.715
  537   2HE   LYS  71          1HE       LYS  71   7.222 -18.270   0.154
  538   1HZ   LYS  71          1HZ       LYS  71   9.659 -16.745   0.901
  539   2HZ   LYS  71          2HZ       LYS  71   8.878 -16.674  -0.596
  540   3HZ   LYS  71          3HZ       LYS  71   9.610 -18.110  -0.095
  541    H    TRP  72           H        TRP  72   8.301 -12.856   2.903
  542    HA   TRP  72           HA       TRP  72   8.934 -10.649   1.155
  543   1HB   TRP  72          2HB       TRP  72  10.448 -11.962   3.422
  544   2HB   TRP  72          1HB       TRP  72  11.081 -10.597   2.509
  545    HD1  TRP  72           HD1      TRP  72   8.255 -11.471   4.984
  546    HE1  TRP  72           HE1      TRP  72   7.444  -9.285   6.073
  547    HE3  TRP  72           HE3      TRP  72  10.964  -8.134   2.222
  548    HZ2  TRP  72           HZ2      TRP  72   7.900  -6.514   5.807
  549    HZ3  TRP  72           HZ3      TRP  72  10.727  -5.733   2.700
  550    HH2  TRP  72           HH2      TRP  72   9.224  -4.938   4.460
  551    H    GLU  73           H        GLU  73   9.485 -11.177  -0.896
  552    HA   GLU  73           HA       GLU  73  11.559 -13.255  -1.271
  553   1HB   GLU  73          2HB       GLU  73   9.286 -12.512  -3.129
  554   2HB   GLU  73          1HB       GLU  73  10.575 -13.642  -3.527
  555   1HG   GLU  73          2HG       GLU  73   9.865 -15.078  -1.656
  556   2HG   GLU  73          1HG       GLU  73   8.548 -13.957  -1.315
  557    H    ALA  74           H        ALA  74  13.423 -12.184  -1.551
  558    HA   ALA  74           HA       ALA  74  13.645  -9.715  -3.001
  559   1HB   ALA  74          1HB       ALA  74  15.794 -11.623  -2.072
  560   2HB   ALA  74          2HB       ALA  74  15.163 -10.250  -1.161
  561   3HB   ALA  74          3HB       ALA  74  16.053  -9.980  -2.659
  562    H    SER  75           H        SER  75  14.130  -9.392  -5.115
  563    HA   SER  75           HA       SER  75  13.950 -11.572  -6.957
  564   1HB   SER  75          2HB       SER  75  14.740  -8.676  -7.410
  565   2HB   SER  75          1HB       SER  75  14.460  -9.847  -8.699
  566    HG   SER  75           HG       SER  75  12.385  -9.817  -6.959
  567    H    ARG  76           H        ARG  76  15.660 -11.685  -8.810
  568    HA   ARG  76           HA       ARG  76  17.904 -12.950  -7.834
  569   1HB   ARG  76          2HB       ARG  76  18.837 -12.721 -10.156
  570   2HB   ARG  76          1HB       ARG  76  17.207 -13.372 -10.071
  571   1HG   ARG  76          2HG       ARG  76  16.288 -11.195 -10.688
  572   2HG   ARG  76          1HG       ARG  76  17.915 -10.519 -10.750
  573   1HD   ARG  76          2HD       ARG  76  17.068 -11.069 -12.989
  574   2HD   ARG  76          1HD       ARG  76  18.498 -12.014 -12.578
  575    HE   ARG  76           HE       ARG  76  17.227 -13.925 -12.627
  576   1HH1  ARG  76          1HH1      ARG  76  15.109 -11.195 -12.645
  577   2HH1  ARG  76          2HH1      ARG  76  13.730 -12.143 -13.075
  578   1HH2  ARG  76          1HH2      ARG  76  15.442 -15.115 -13.170
  579   2HH2  ARG  76          2HH2      ARG  76  13.909 -14.334 -13.352
  580    H    GLY  77           H        GLY  77  18.944 -11.726  -6.228
  581   1HA   GLY  77          2HA       GLY  77  21.024 -10.773  -5.738
  582   2HA   GLY  77          1HA       GLY  77  21.077 -10.082  -7.347
  583    H    GLY  78           H        GLY  78  18.123  -9.430  -5.659
  584   1HA   GLY  78          2HA       GLY  78  18.770  -7.409  -3.907
  585   2HA   GLY  78          1HA       GLY  78  18.808  -6.634  -5.479
  586    H    ALA  79           H        ALA  79  17.165  -5.698  -3.583
  587    HA   ALA  79           HA       ALA  79  15.077  -4.948  -3.198
  588   1HB   ALA  79          1HB       ALA  79  15.135  -4.553  -5.626
  589   2HB   ALA  79          2HB       ALA  79  13.511  -4.866  -5.016
  590   3HB   ALA  79          3HB       ALA  79  14.386  -6.131  -5.881
  591    H    ARG  80           H        ARG  80  14.451  -6.128  -1.435
  592    HA   ARG  80           HA       ARG  80  13.123  -8.694  -1.783
  593   1HB   ARG  80          2HB       ARG  80  12.830  -8.572   0.715
  594   2HB   ARG  80          1HB       ARG  80  14.495  -8.550   0.154
  595   1HG   ARG  80          2HG       ARG  80  14.548  -6.105   0.464
  596   2HG   ARG  80          1HG       ARG  80  12.896  -6.166   1.081
  597   1HD   ARG  80          2HD       ARG  80  14.577  -6.083   2.887
  598   2HD   ARG  80          1HD       ARG  80  13.602  -7.552   2.941
  599    HE   ARG  80           HE       ARG  80  15.815  -8.253   1.498
  600   1HH1  ARG  80          1HH1      ARG  80  15.342  -6.880   4.628
  601   2HH1  ARG  80          2HH1      ARG  80  16.761  -7.628   5.273
  602   1HH2  ARG  80          1HH2      ARG  80  17.603  -9.218   2.357
  603   2HH2  ARG  80          2HH2      ARG  80  18.014  -8.950   4.015
  604    H    PHE  81           H        PHE  81  11.149  -8.584  -2.675
  605    HA   PHE  81           HA       PHE  81   9.382  -6.342  -2.082
  606   1HB   PHE  81          2HB       PHE  81   9.089  -8.654  -4.012
  607   2HB   PHE  81          1HB       PHE  81   7.932  -7.338  -3.846
  608    HD1  PHE  81           HD1      PHE  81   8.698  -4.982  -4.373
  609    HD2  PHE  81           HD2      PHE  81  10.977  -8.439  -5.388
  610    HE1  PHE  81           HE1      PHE  81   9.945  -3.670  -6.042
  611    HE2  PHE  81           HE2      PHE  81  12.223  -7.129  -7.052
  612    HZ   PHE  81           HZ       PHE  81  11.711  -4.743  -7.381
  613    HA   PRO  82           HA       PRO  82   7.078  -8.799   0.969
  614   1HB   PRO  82          2HB       PRO  82   5.315  -6.425   0.947
  615   2HB   PRO  82          1HB       PRO  82   6.177  -7.166   2.298
  616   1HG   PRO  82          2HG       PRO  82   6.937  -4.804   1.262
  617   2HG   PRO  82          1HG       PRO  82   8.115  -5.974   1.883
  618   1HD   PRO  82          2HD       PRO  82   7.347  -5.386  -0.957
  619   2HD   PRO  82          1HD       PRO  82   8.956  -5.687  -0.263
  620    H    HIS  83           H        HIS  83   6.217 -10.354  -0.444
  621    HA   HIS  83           HA       HIS  83   3.973  -9.630  -2.171
  622   1HB   HIS  83          2HB       HIS  83   5.391 -12.274  -1.737
  623   2HB   HIS  83          1HB       HIS  83   4.080 -12.020  -2.884
  624    HD1  HIS  83           HD1      HIS  83   6.762 -12.984  -3.928
  625    HD2  HIS  83           HD2      HIS  83   5.729  -8.971  -3.663
  626    HE1  HIS  83           HE1      HIS  83   8.208 -11.809  -5.606
  627    HE2  HIS  83           HE2      HIS  83   7.373  -9.438  -5.605
  628    H    LEU  84           H        LEU  84   1.994  -9.520  -1.292
  629    HA   LEU  84           HA       LEU  84   1.337 -11.280   0.984
  630   1HB   LEU  84          2HB       LEU  84   1.097  -8.909   1.460
  631   2HB   LEU  84          1HB       LEU  84   0.052  -8.701   0.067
  632    HG   LEU  84           HG       LEU  84  -1.668 -10.103   1.129
  633   1HD1  LEU  84          1HD1      LEU  84  -1.445 -10.806   3.463
  634   2HD1  LEU  84          2HD1      LEU  84   0.216 -10.214   3.488
  635   3HD1  LEU  84          3HD1      LEU  84  -0.222 -11.568   2.445
  636   1HD2  LEU  84          1HD2      LEU  84  -0.678  -7.844   2.871
  637   2HD2  LEU  84          2HD2      LEU  84  -2.293  -8.550   2.929
  638   3HD2  LEU  84          3HD2      LEU  84  -1.754  -7.704   1.478
  639    H    TYR  85           H        TYR  85   0.027 -12.943   0.668
  640    HA   TYR  85           HA       TYR  85  -1.598 -13.047  -1.795
  641   1HB   TYR  85          2HB       TYR  85  -0.627 -15.294   0.001
  642   2HB   TYR  85          1HB       TYR  85  -1.576 -15.504  -1.469
  643    HD1  TYR  85           HD1      TYR  85   1.706 -14.354  -0.170
  644    HD2  TYR  85           HD2      TYR  85  -0.530 -15.500  -3.613
  645    HE1  TYR  85           HE1      TYR  85   3.775 -14.392  -1.496
  646    HE2  TYR  85           HE2      TYR  85   1.537 -15.542  -4.945
  647    HH   TYR  85           HH       TYR  85   4.660 -15.341  -3.511
  648    H    ARG  86           H        ARG  86  -2.464 -11.630   0.618
  649    HA   ARG  86           HA       ARG  86  -4.944 -13.131   1.168
  650   1HB   ARG  86          2HB       ARG  86  -3.281 -11.603   3.191
  651   2HB   ARG  86          1HB       ARG  86  -4.896 -12.226   3.502
  652   1HG   ARG  86          2HG       ARG  86  -2.554 -13.952   2.726
  653   2HG   ARG  86          1HG       ARG  86  -3.033 -13.627   4.392
  654   1HD   ARG  86          2HD       ARG  86  -5.135 -14.720   4.081
  655   2HD   ARG  86          1HD       ARG  86  -4.884 -14.836   2.339
  656    HE   ARG  86           HE       ARG  86  -3.232 -16.509   2.728
  657   1HH1  ARG  86          1HH1      ARG  86  -4.865 -15.558   5.609
  658   2HH1  ARG  86          2HH1      ARG  86  -4.560 -17.060   6.407
  659   1HH2  ARG  86          1HH2      ARG  86  -2.857 -18.445   3.769
  660   2HH2  ARG  86          2HH2      ARG  86  -3.441 -18.671   5.384
  661    HA   PRO  87           HA       PRO  87  -6.929  -9.204   0.249
  662   1HB   PRO  87          2HB       PRO  87  -9.365  -9.653   1.348
  663   2HB   PRO  87          1HB       PRO  87  -8.842 -10.450  -0.141
  664   1HG   PRO  87          2HG       PRO  87  -8.871 -11.506   2.664
  665   2HG   PRO  87          1HG       PRO  87  -9.359 -12.312   1.161
  666   1HD   PRO  87          2HD       PRO  87  -6.942 -12.725   2.360
  667   2HD   PRO  87          1HD       PRO  87  -7.192 -12.864   0.609
  668    H    LEU  88           H        LEU  88  -6.546  -7.333   1.277
  669    HA   LEU  88           HA       LEU  88  -6.343  -7.275   4.186
  670   1HB   LEU  88          2HB       LEU  88  -4.536  -6.315   2.831
  671   2HB   LEU  88          1HB       LEU  88  -5.667  -5.185   2.110
  672    HG   LEU  88           HG       LEU  88  -6.016  -4.137   4.335
  673   1HD1  LEU  88          1HD1      LEU  88  -5.513  -6.060   5.746
  674   2HD1  LEU  88          2HD1      LEU  88  -4.510  -4.676   6.183
  675   3HD1  LEU  88          3HD1      LEU  88  -3.822  -6.003   5.243
  676   1HD2  LEU  88          1HD2      LEU  88  -4.383  -3.175   2.820
  677   2HD2  LEU  88          2HD2      LEU  88  -3.142  -4.278   3.414
  678   3HD2  LEU  88          3HD2      LEU  88  -3.812  -3.046   4.483
  679    H    LEU  89           H        LEU  89  -8.230  -6.965   5.226
  680    HA   LEU  89           HA       LEU  89 -10.412  -5.427   4.220
  681   1HB   LEU  89          2HB       LEU  89  -9.735  -6.562   6.921
  682   2HB   LEU  89          1HB       LEU  89 -11.117  -5.502   6.724
  683    HG   LEU  89           HG       LEU  89 -11.735  -7.888   6.702
  684   1HD1  LEU  89          1HD1      LEU  89 -13.131  -6.260   5.539
  685   2HD1  LEU  89          2HD1      LEU  89 -13.147  -7.816   4.710
  686   3HD1  LEU  89          3HD1      LEU  89 -12.185  -6.485   4.067
  687   1HD2  LEU  89          1HD2      LEU  89 -11.148  -9.333   4.847
  688   2HD2  LEU  89          2HD2      LEU  89  -9.680  -8.769   5.645
  689   3HD2  LEU  89          3HD2      LEU  89 -10.181  -8.052   4.113
  690    H    VAL  90           H        VAL  90 -11.057  -3.315   4.690
  691    HA   VAL  90           HA       VAL  90  -9.066  -1.387   5.068
  692    HB   VAL  90           HB       VAL  90 -11.417  -1.085   4.066
  693   1HG1  VAL  90          1HG1      VAL  90 -13.157  -0.244   5.538
  694   2HG1  VAL  90          2HG1      VAL  90 -12.117  -0.490   6.941
  695   3HG1  VAL  90          3HG1      VAL  90 -12.689  -1.879   6.013
  696   1HG2  VAL  90          1HG2      VAL  90 -11.452   1.303   4.567
  697   2HG2  VAL  90          2HG2      VAL  90  -9.811   0.734   4.265
  698   3HG2  VAL  90          3HG2      VAL  90 -10.346   1.046   5.917
  699    H    SER  91           H        SER  91 -11.085  -3.045   7.374
  700    HA   SER  91           HA       SER  91 -10.701  -1.435   9.655
  701   1HB   SER  91          2HB       SER  91 -12.428  -3.094   9.700
  702   2HB   SER  91          1HB       SER  91 -11.282  -4.390   9.358
  703    HG   SER  91           HG       SER  91 -10.706  -4.448  11.397
  704    H    GLU  92           H        GLU  92  -8.585  -3.736   8.122
  705    HA   GLU  92           HA       GLU  92  -6.984  -4.155  10.515
  706   1HB   GLU  92          2HB       GLU  92  -6.406  -5.154   7.722
  707   2HB   GLU  92          1HB       GLU  92  -5.775  -5.784   9.237
  708   1HG   GLU  92          2HG       GLU  92  -8.613  -5.956   8.244
  709   2HG   GLU  92          1HG       GLU  92  -7.453  -7.275   8.383
  710    H    VAL  93           H        VAL  93  -7.112  -1.735   8.250
  711    HA   VAL  93           HA       VAL  93  -4.287  -1.330   7.832
  712    HB   VAL  93           HB       VAL  93  -6.612   0.554   7.353
  713   1HG1  VAL  93          1HG1      VAL  93  -3.748   0.734   6.393
  714   2HG1  VAL  93          2HG1      VAL  93  -4.513   1.784   7.586
  715   3HG1  VAL  93          3HG1      VAL  93  -5.065   1.806   5.911
  716   1HG2  VAL  93          1HG2      VAL  93  -6.801  -1.450   6.008
  717   2HG2  VAL  93          2HG2      VAL  93  -5.124  -1.297   5.484
  718   3HG2  VAL  93          3HG2      VAL  93  -6.316  -0.100   4.980
  719    H    THR  94           H        THR  94  -2.885  -0.277   9.111
  720    HA   THR  94           HA       THR  94  -3.653   0.626  11.701
  721    HB   THR  94           HB       THR  94  -0.999   1.080  10.305
  722    HG1  THR  94           HG1      THR  94  -2.033  -1.135  11.763
  723   1HG2  THR  94          1HG2      THR  94  -1.258   2.458  12.304
  724   2HG2  THR  94          2HG2      THR  94  -0.093   1.167  12.603
  725   3HG2  THR  94          3HG2      THR  94  -1.733   1.042  13.242
  726    H    ARG  95           H        ARG  95  -2.107   2.449   9.019
  727    HA   ARG  95           HA       ARG  95  -3.802   4.747   9.615
  728   1HB   ARG  95          2HB       ARG  95  -1.920   5.113  11.105
  729   2HB   ARG  95          1HB       ARG  95  -0.785   4.880   9.786
  730   1HG   ARG  95          2HG       ARG  95  -1.504   6.916   8.724
  731   2HG   ARG  95          1HG       ARG  95  -2.807   7.116   9.897
  732   1HD   ARG  95          2HD       ARG  95  -1.170   7.386  11.690
  733   2HD   ARG  95          1HD       ARG  95   0.145   7.141  10.543
  734    HE   ARG  95           HE       ARG  95  -0.521   9.238   9.482
  735   1HH1  ARG  95          1HH1      ARG  95  -1.828   8.627  12.607
  736   2HH1  ARG  95          2HH1      ARG  95  -1.992  10.306  12.985
  737   1HH2  ARG  95          1HH2      ARG  95  -0.735  11.391   9.978
  738   2HH2  ARG  95          2HH2      ARG  95  -1.349  11.853  11.528
  739    H    GLU  96           H        GLU  96  -4.056   6.173   7.943
  740    HA   GLU  96           HA       GLU  96  -2.843   5.432   5.354
  741   1HB   GLU  96          2HB       GLU  96  -4.860   6.575   4.351
  742   2HB   GLU  96          1HB       GLU  96  -5.206   5.102   5.247
  743   1HG   GLU  96          2HG       GLU  96  -5.955   6.412   7.158
  744   2HG   GLU  96          1HG       GLU  96  -5.556   7.906   6.309
  745    H    ALA  97           H        ALA  97  -1.137   6.768   5.000
  746    HA   ALA  97           HA       ALA  97  -1.222   9.533   5.916
  747   1HB   ALA  97          1HB       ALA  97   0.975   8.022   4.508
  748   2HB   ALA  97          2HB       ALA  97   0.819   8.240   6.251
  749   3HB   ALA  97          3HB       ALA  97   1.115   9.633   5.210
  750    H    ASP  98           H        ASP  98  -2.779  10.483   4.569
  751    HA   ASP  98           HA       ASP  98  -2.610  10.422   1.716
  752   1HB   ASP  98          2HB       ASP  98  -4.279  12.293   1.847
  753   2HB   ASP  98          1HB       ASP  98  -4.744  10.851   2.743
  754    H    LEU  99           H        LEU  99  -0.942  11.301   0.618
  755    HA   LEU  99           HA       LEU  99   0.079  13.933   1.489
  756   1HB   LEU  99          2HB       LEU  99   1.729  11.574   0.570
  757   2HB   LEU  99          1HB       LEU  99   2.359  13.183   0.865
  758    HG   LEU  99           HG       LEU  99   1.113  11.393   2.962
  759   1HD1  LEU  99          1HD1      LEU  99   4.008  12.099   2.470
  760   2HD1  LEU  99          2HD1      LEU  99   3.260  10.524   2.206
  761   3HD1  LEU  99          3HD1      LEU  99   3.389  11.174   3.839
  762   1HD2  LEU  99          1HD2      LEU  99   2.488  14.071   3.219
  763   2HD2  LEU  99          2HD2      LEU  99   1.966  13.053   4.561
  764   3HD2  LEU  99          3HD2      LEU  99   0.771  13.748   3.467
  765    H    ASP 100           H        ASP 100  -0.767  15.217  -0.144
  766    HA   ASP 100           HA       ASP 100  -0.363  14.664  -2.924
  767   1HB   ASP 100          2HB       ASP 100  -0.914  17.226  -1.410
  768   2HB   ASP 100          1HB       ASP 100  -0.686  17.198  -3.155
  769    H    LEU 101           H        LEU 101   1.331  15.267  -4.271
  770    HA   LEU 101           HA       LEU 101   3.881  15.554  -2.959
  771   1HB   LEU 101          2HB       LEU 101   3.186  15.401  -5.893
  772   2HB   LEU 101          1HB       LEU 101   4.811  15.327  -5.233
  773    HG   LEU 101           HG       LEU 101   2.607  13.308  -4.767
  774   1HD1  LEU 101          1HD1      LEU 101   5.169  13.144  -6.350
  775   2HD1  LEU 101          2HD1      LEU 101   3.525  13.122  -6.987
  776   3HD1  LEU 101          3HD1      LEU 101   4.105  11.782  -5.999
  777   1HD2  LEU 101          1HD2      LEU 101   4.321  11.999  -3.583
  778   2HD2  LEU 101          2HD2      LEU 101   3.983  13.528  -2.772
  779   3HD2  LEU 101          3HD2      LEU 101   5.450  13.349  -3.736
  780    H    ASP 102           H        ASP 102   5.545  17.153  -3.735
  781    HA   ASP 102           HA       ASP 102   4.477  19.725  -4.592
  782   1HB   ASP 102          2HB       ASP 102   3.955  19.603  -2.158
  783   2HB   ASP 102          1HB       ASP 102   5.677  19.438  -1.827
  784    H    ALA 103           H        ALA 103   6.162  21.454  -4.652
  785    HA   ALA 103           HA       ALA 103   8.136  22.296  -5.363
  786   1HB   ALA 103          1HB       ALA 103  10.210  21.401  -4.460
  787   2HB   ALA 103          2HB       ALA 103   9.376  19.931  -3.957
  788   3HB   ALA 103          3HB       ALA 103   8.968  21.473  -3.209
  789    H    ASP 104           H        ASP 104   9.343  18.988  -5.549
  790    HA   ASP 104           HA       ASP 104   9.458  19.221  -8.496
  791   1HB   ASP 104          2HB       ASP 104  11.619  18.873  -7.330
  792   2HB   ASP 104          1HB       ASP 104  10.995  17.384  -6.628
  793    H    GLY 105           H        GLY 105   8.049  17.583  -5.869
  794   1HA   GLY 105          2HA       GLY 105   6.026  16.260  -6.359
  795   2HA   GLY 105          1HA       GLY 105   6.956  15.471  -7.626
  796    H    VAL 106           H        VAL 106   8.738  16.133  -4.756
  797    HA   VAL 106           HA       VAL 106   8.200  13.439  -3.711
  798    HB   VAL 106           HB       VAL 106  11.011  14.463  -4.176
  799   1HG1  VAL 106          1HG1      VAL 106  10.840  12.998  -2.226
  800   2HG1  VAL 106          2HG1      VAL 106  11.691  12.177  -3.532
  801   3HG1  VAL 106          3HG1      VAL 106  10.007  11.778  -3.189
  802   1HG2  VAL 106          1HG2      VAL 106   9.947  13.897  -6.305
  803   2HG2  VAL 106          2HG2      VAL 106   9.492  12.316  -5.672
  804   3HG2  VAL 106          3HG2      VAL 106  11.194  12.718  -5.897
  805    HA   PRO 107           HA       PRO 107   8.789  15.795   0.150
  806   1HB   PRO 107          2HB       PRO 107   6.014  15.372   0.803
  807   2HB   PRO 107          1HB       PRO 107   6.855  16.911   0.614
  808   1HG   PRO 107          2HG       PRO 107   4.888  15.985  -1.090
  809   2HG   PRO 107          1HG       PRO 107   6.117  17.185  -1.528
  810   1HD   PRO 107          2HD       PRO 107   6.045  14.244  -2.111
  811   2HD   PRO 107          1HD       PRO 107   6.572  15.587  -3.150
  812    H    GLN 108           H        GLN 108   5.991  13.626   0.306
  813    HA   GLN 108           HA       GLN 108   5.747  11.403   0.703
  814   1HB   GLN 108          2HB       GLN 108   8.478  11.342  -0.555
  815   2HB   GLN 108          1HB       GLN 108   7.431   9.940  -0.345
  816   1HG   GLN 108          2HG       GLN 108   5.782  10.871  -1.822
  817   2HG   GLN 108          1HG       GLN 108   6.660  12.398  -1.914
  818   1HE2  GLN 108          1HE2      GLN 108   6.810  12.290  -4.134
  819   2HE2  GLN 108          2HE2      GLN 108   7.857  11.174  -4.940
  820    H    LEU 109           H        LEU 109   8.079   9.617   1.186
  821    HA   LEU 109           HA       LEU 109   7.700   9.392   3.961
  822   1HB   LEU 109          2HB       LEU 109   9.600   8.007   2.082
  823   2HB   LEU 109          1HB       LEU 109   9.504   7.611   3.787
  824    HG   LEU 109           HG       LEU 109   7.128   6.975   3.496
  825   1HD1  LEU 109          1HD1      LEU 109   7.639   7.491   0.567
  826   2HD1  LEU 109          2HD1      LEU 109   6.551   8.396   1.621
  827   3HD1  LEU 109          3HD1      LEU 109   6.206   6.709   1.241
  828   1HD2  LEU 109          1HD2      LEU 109   8.895   5.282   3.337
  829   2HD2  LEU 109          2HD2      LEU 109   9.003   5.559   1.598
  830   3HD2  LEU 109          3HD2      LEU 109   7.525   4.895   2.295
  831    H    GLY 110           H        GLY 110   9.507  11.722   2.622
  832   1HA   GLY 110          2HA       GLY 110  12.028  11.692   3.771
  833   2HA   GLY 110          1HA       GLY 110  11.097  13.150   3.480
  834    H    ASP 111           H        ASP 111   8.968  12.206   5.379
  835    HA   ASP 111           HA       ASP 111  10.313  12.892   7.900
  836   1HB   ASP 111          2HB       ASP 111   8.067  13.358   8.748
  837   2HB   ASP 111          1HB       ASP 111   8.324  14.199   7.221
  838    H    HIS 112           H        HIS 112   8.632  10.263   6.326
  839    HA   HIS 112           HA       HIS 112   8.028   8.712   8.624
  840   1HB   HIS 112          2HB       HIS 112   8.283   8.036   5.693
  841   2HB   HIS 112          1HB       HIS 112   7.793   6.856   6.903
  842    HD1  HIS 112           HD1      HIS 112   6.631  10.399   6.016
  843    HD2  HIS 112           HD2      HIS 112   5.157   6.648   6.944
  844    HE1  HIS 112           HE1      HIS 112   4.142  10.637   5.947
  845    HE2  HIS 112           HE2      HIS 112   3.279   8.422   6.770
  846    H    LEU 113           H        LEU 113  10.859   8.857   6.512
  847    HA   LEU 113           HA       LEU 113  12.046   6.562   7.933
  848   1HB   LEU 113          2HB       LEU 113  12.934   7.812   5.326
  849   2HB   LEU 113          1HB       LEU 113  13.551   6.333   6.041
  850    HG   LEU 113           HG       LEU 113  10.784   6.766   4.896
  851   1HD1  LEU 113          1HD1      LEU 113  13.069   5.015   3.995
  852   2HD1  LEU 113          2HD1      LEU 113  12.502   6.485   3.203
  853   3HD1  LEU 113          3HD1      LEU 113  11.462   5.063   3.271
  854   1HD2  LEU 113          1HD2      LEU 113  10.609   5.332   6.847
  855   2HD2  LEU 113          2HD2      LEU 113  11.925   4.319   6.251
  856   3HD2  LEU 113          3HD2      LEU 113  10.396   4.384   5.375
  857    H    ALA 114           H        ALA 114  14.452   6.670   8.231
  858    HA   ALA 114           HA       ALA 114  16.308   7.571   9.175
  859   1HB   ALA 114          1HB       ALA 114  15.422  10.143   7.863
  860   2HB   ALA 114          2HB       ALA 114  16.399   8.887   7.103
  861   3HB   ALA 114          3HB       ALA 114  17.035   9.784   8.481
  862    H    LEU 115           H        LEU 115  13.653   7.692  10.577
  863    HA   LEU 115           HA       LEU 115  13.660  10.034  12.197
  864   1HB   LEU 115          2HB       LEU 115  11.971   8.943  13.571
  865   2HB   LEU 115          1HB       LEU 115  11.585   8.834  11.868
  866    HG   LEU 115           HG       LEU 115  12.812   6.542  13.421
  867   1HD1  LEU 115          1HD1      LEU 115  10.573   5.602  13.592
  868   2HD1  LEU 115          2HD1      LEU 115   9.890   7.047  12.845
  869   3HD1  LEU 115          3HD1      LEU 115  10.665   7.152  14.426
  870   1HD2  LEU 115          1HD2      LEU 115  11.905   5.187  11.575
  871   2HD2  LEU 115          2HD2      LEU 115  13.086   6.368  11.013
  872   3HD2  LEU 115          3HD2      LEU 115  11.363   6.661  10.769
  873    H    GLU 116           H        GLU 116  15.960   9.968  12.716
  874    HA   GLU 116           HA       GLU 116  16.971   8.125  14.664
  875   1HB   GLU 116          2HB       GLU 116  18.505   9.308  13.191
  876   2HB   GLU 116          1HB       GLU 116  17.926  10.862  13.773
  877   1HG   GLU 116          2HG       GLU 116  18.807  10.276  16.030
  878   2HG   GLU 116          1HG       GLU 116  19.505   8.817  15.327
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1   8.938  -4.654  14.425
    2   2H    MET   1          2H        MET   1   8.337  -3.924  15.823
    3   3H    MET   1          3H        MET   1   9.601  -3.196  14.971
    4    HA   MET   1           HA       MET   1   6.850  -3.609  13.957
    5   1HB   MET   1          2HB       MET   1   8.233  -1.073  14.881
    6   2HB   MET   1          1HB       MET   1   6.644  -1.144  14.129
    7   1HG   MET   1          2HG       MET   1   5.814  -2.475  16.005
    8   2HG   MET   1          1HG       MET   1   7.405  -2.402  16.760
    9   1HE   MET   1          1HE       MET   1   5.243  -0.095  19.066
   10   2HE   MET   1          2HE       MET   1   6.352  -1.465  19.008
   11   3HE   MET   1          3HE       MET   1   4.755  -1.592  18.269
   12    H    THR   2           H        THR   2   7.676  -4.500  12.005
   13    HA   THR   2           HA       THR   2   9.452  -2.864  10.365
   14    HB   THR   2           HB       THR   2   8.048  -5.456   9.648
   15    HG1  THR   2           HG1      THR   2   9.734  -6.487  10.480
   16   1HG2  THR   2          1HG2      THR   2   9.761  -5.613   7.879
   17   2HG2  THR   2          2HG2      THR   2  10.362  -4.018   8.327
   18   3HG2  THR   2          3HG2      THR   2   8.734  -4.194   7.671
   19    H    LEU   3           H        LEU   3   8.508  -1.099   9.480
   20    HA   LEU   3           HA       LEU   3   5.736  -1.147   8.624
   21   1HB   LEU   3          2HB       LEU   3   7.868   0.972   8.681
   22   2HB   LEU   3          1HB       LEU   3   6.380   1.227   7.793
   23    HG   LEU   3           HG       LEU   3   6.272   2.272   9.991
   24   1HD1  LEU   3          1HD1      LEU   3   4.456  -0.130   9.806
   25   2HD1  LEU   3          2HD1      LEU   3   4.208   1.418   8.998
   26   3HD1  LEU   3          3HD1      LEU   3   4.166   1.327  10.759
   27   1HD2  LEU   3          1HD2      LEU   3   7.807   0.818  11.206
   28   2HD2  LEU   3          2HD2      LEU   3   6.645  -0.508  11.112
   29   3HD2  LEU   3          3HD2      LEU   3   6.259   0.939  12.043
   30    H    ILE   4           H        ILE   4   5.176  -2.003   6.735
   31    HA   ILE   4           HA       ILE   4   6.957  -1.648   4.411
   32    HB   ILE   4           HB       ILE   4   5.519  -3.378   3.299
   33   1HG1  ILE   4          2HG1      ILE   4   4.401  -3.715   6.102
   34   2HG1  ILE   4          1HG1      ILE   4   3.503  -3.163   4.693
   35   1HG2  ILE   4          1HG2      ILE   4   7.681  -3.941   4.270
   36   2HG2  ILE   4          2HG2      ILE   4   6.544  -5.272   4.479
   37   3HG2  ILE   4          3HG2      ILE   4   6.926  -4.217   5.840
   38   1HD1  ILE   4          1HD1      ILE   4   4.713  -5.896   5.062
   39   2HD1  ILE   4          2HD1      ILE   4   3.825  -5.346   3.641
   40   3HD1  ILE   4          3HD1      ILE   4   3.006  -5.478   5.197
   41    H    TYR   5           H        TYR   5   6.343  -0.433   2.694
   42    HA   TYR   5           HA       TYR   5   3.910   1.182   3.134
   43   1HB   TYR   5          2HB       TYR   5   6.353   2.076   1.609
   44   2HB   TYR   5          1HB       TYR   5   5.077   3.068   2.301
   45    HD1  TYR   5           HD2      TYR   5   8.068   1.052   3.065
   46    HD2  TYR   5           HD1      TYR   5   5.172   3.768   4.612
   47    HE1  TYR   5           HE2      TYR   5   9.464   1.399   5.056
   48    HE2  TYR   5           HE1      TYR   5   6.567   4.121   6.607
   49    HH   TYR   5           HH       TYR   5   9.804   3.102   6.790
   50    H    LYS   6           H        LYS   6   2.767   2.018   1.308
   51    HA   LYS   6           HA       LYS   6   3.675   1.512  -1.368
   52   1HB   LYS   6          2HB       LYS   6   2.618  -0.634  -1.077
   53   2HB   LYS   6          1HB       LYS   6   1.167   0.112  -0.416
   54   1HG   LYS   6          2HG       LYS   6   0.654   1.119  -2.556
   55   2HG   LYS   6          1HG       LYS   6   2.167   0.526  -3.234
   56   1HD   LYS   6          2HD       LYS   6   0.254  -0.825  -3.954
   57   2HD   LYS   6          1HD       LYS   6   1.395  -1.772  -3.004
   58   1HE   LYS   6          2HE       LYS   6  -1.016  -0.500  -1.736
   59   2HE   LYS   6          1HE       LYS   6  -1.124  -2.060  -2.545
   60   1HZ   LYS   6          1HZ       LYS   6  -0.759  -2.371  -0.204
   61   2HZ   LYS   6          2HZ       LYS   6   0.625  -1.402  -0.239
   62   3HZ   LYS   6          3HZ       LYS   6   0.614  -2.883  -1.051
   63    H    ILE   7           H        ILE   7   2.918   3.023  -2.772
   64    HA   ILE   7           HA       ILE   7   1.059   5.033  -1.716
   65    HB   ILE   7           HB       ILE   7   2.858   5.121  -4.153
   66   1HG1  ILE   7          2HG1      ILE   7   3.125   6.454  -1.439
   67   2HG1  ILE   7          1HG1      ILE   7   4.112   5.122  -2.034
   68   1HG2  ILE   7          1HG2      ILE   7   2.322   7.509  -4.250
   69   2HG2  ILE   7          2HG2      ILE   7   1.203   7.315  -2.899
   70   3HG2  ILE   7          3HG2      ILE   7   0.871   6.521  -4.440
   71   1HD1  ILE   7          1HD1      ILE   7   4.012   7.904  -3.183
   72   2HD1  ILE   7          2HD1      ILE   7   4.997   6.573  -3.792
   73   3HD1  ILE   7          3HD1      ILE   7   5.298   7.229  -2.184
   74    H    LEU   8           H        LEU   8  -0.895   5.503  -2.668
   75    HA   LEU   8           HA       LEU   8  -1.520   4.562  -5.342
   76   1HB   LEU   8          2HB       LEU   8  -3.454   3.285  -4.807
   77   2HB   LEU   8          1HB       LEU   8  -2.140   2.653  -3.838
   78    HG   LEU   8           HG       LEU   8  -4.273   4.531  -2.801
   79   1HD1  LEU   8          1HD1      LEU   8  -5.231   2.381  -3.434
   80   2HD1  LEU   8          2HD1      LEU   8  -5.210   2.576  -1.683
   81   3HD1  LEU   8          3HD1      LEU   8  -4.016   1.543  -2.469
   82   1HD2  LEU   8          1HD2      LEU   8  -2.175   4.678  -1.560
   83   2HD2  LEU   8          2HD2      LEU   8  -2.166   2.927  -1.346
   84   3HD2  LEU   8          3HD2      LEU   8  -3.428   3.903  -0.592
   85    H    SER   9           H        SER   9  -3.637   5.431  -6.117
   86    HA   SER   9           HA       SER   9  -3.949   8.171  -5.329
   87   1HB   SER   9          2HB       SER   9  -4.258   7.592  -7.652
   88   2HB   SER   9          1HB       SER   9  -5.539   6.452  -7.246
   89    HG   SER   9           HG       SER   9  -6.373   8.457  -7.988
   90    H    ARG  10           H        ARG  10  -5.719   9.205  -4.387
   91    HA   ARG  10           HA       ARG  10  -7.111   8.002  -2.313
   92   1HB   ARG  10          2HB       ARG  10  -7.835  10.431  -3.967
   93   2HB   ARG  10          1HB       ARG  10  -8.699   9.965  -2.509
   94   1HG   ARG  10          2HG       ARG  10  -5.745  10.556  -2.569
   95   2HG   ARG  10          1HG       ARG  10  -6.979  11.761  -2.213
   96   1HD   ARG  10          2HD       ARG  10  -6.406   9.242  -0.658
   97   2HD   ARG  10          1HD       ARG  10  -6.062  10.895  -0.149
   98    HE   ARG  10           HE       ARG  10  -8.757   9.744  -0.462
   99   1HH1  ARG  10          1HH1      ARG  10  -6.617  12.026   0.977
  100   2HH1  ARG  10          2HH1      ARG  10  -7.819  12.623   2.064
  101   1HH2  ARG  10          1HH2      ARG  10 -10.279  10.497   0.935
  102   2HH2  ARG  10          2HH2      ARG  10  -9.867  11.764   2.049
  103    H    ALA  11           H        ALA  11  -8.121   8.413  -5.689
  104    HA   ALA  11           HA       ALA  11 -10.764   7.517  -5.472
  105   1HB   ALA  11          1HB       ALA  11  -8.857   7.237  -7.797
  106   2HB   ALA  11          2HB       ALA  11  -9.935   8.597  -7.476
  107   3HB   ALA  11          3HB       ALA  11 -10.606   7.018  -7.882
  108    H    GLU  12           H        GLU  12  -7.793   5.723  -5.389
  109    HA   GLU  12           HA       GLU  12  -9.109   3.142  -5.738
  110   1HB   GLU  12          2HB       GLU  12  -6.237   3.712  -4.948
  111   2HB   GLU  12          1HB       GLU  12  -6.886   2.193  -5.549
  112   1HG   GLU  12          2HG       GLU  12  -6.746   4.752  -7.140
  113   2HG   GLU  12          1HG       GLU  12  -5.565   3.447  -7.222
  114    H    TRP  13           H        TRP  13  -7.374   4.921  -3.204
  115    HA   TRP  13           HA       TRP  13  -7.649   2.991  -1.164
  116   1HB   TRP  13          2HB       TRP  13  -5.943   4.709  -1.064
  117   2HB   TRP  13          1HB       TRP  13  -7.164   5.974  -1.022
  118    HD1  TRP  13           HD1      TRP  13  -7.070   7.011   1.313
  119    HE1  TRP  13           HE1      TRP  13  -6.993   6.117   3.730
  120    HE3  TRP  13           HE3      TRP  13  -6.728   1.996   0.337
  121    HZ2  TRP  13           HZ2      TRP  13  -6.818   3.640   5.044
  122    HZ3  TRP  13           HZ3      TRP  13  -6.613   0.432   2.236
  123    HH2  TRP  13           HH2      TRP  13  -6.659   1.242   4.540
  124    H    ASP  14           H        ASP  14  -9.418   6.080  -1.572
  125    HA   ASP  14           HA       ASP  14 -11.297   5.698   0.445
  126   1HB   ASP  14          2HB       ASP  14 -11.499   7.233  -2.150
  127   2HB   ASP  14          1HB       ASP  14 -12.689   7.341  -0.856
  128    H    ALA  15           H        ALA  15 -11.349   4.535  -2.900
  129    HA   ALA  15           HA       ALA  15 -13.945   3.429  -2.908
  130   1HB   ALA  15          1HB       ALA  15 -12.597   3.651  -4.941
  131   2HB   ALA  15          2HB       ALA  15 -13.147   1.990  -4.719
  132   3HB   ALA  15          3HB       ALA  15 -11.479   2.426  -4.341
  133    H    ALA  16           H        ALA  16 -10.823   2.103  -1.880
  134    HA   ALA  16           HA       ALA  16 -11.737  -0.448  -1.076
  135   1HB   ALA  16          1HB       ALA  16  -9.387   1.132  -0.021
  136   2HB   ALA  16          2HB       ALA  16  -9.367   0.081  -1.437
  137   3HB   ALA  16          3HB       ALA  16  -9.643  -0.604   0.164
  138    H    LYS  17           H        LYS  17 -11.417   2.618   0.700
  139    HA   LYS  17           HA       LYS  17 -12.149   1.639   3.244
  140   1HB   LYS  17          2HB       LYS  17 -12.462   4.425   2.103
  141   2HB   LYS  17          1HB       LYS  17 -12.653   4.010   3.802
  142   1HG   LYS  17          2HG       LYS  17 -10.277   3.163   3.745
  143   2HG   LYS  17          1HG       LYS  17 -10.142   3.893   2.144
  144   1HD   LYS  17          2HD       LYS  17 -10.852   5.366   4.690
  145   2HD   LYS  17          1HD       LYS  17  -9.264   5.363   3.925
  146   1HE   LYS  17          2HE       LYS  17 -10.209   6.436   1.942
  147   2HE   LYS  17          1HE       LYS  17 -11.812   6.404   2.681
  148   1HZ   LYS  17          1HZ       LYS  17 -10.817   8.564   2.951
  149   2HZ   LYS  17          2HZ       LYS  17  -9.451   7.898   3.690
  150   3HZ   LYS  17          3HZ       LYS  17 -10.951   7.822   4.463
  151    H    ALA  18           H        ALA  18 -14.110   2.907   0.572
  152    HA   ALA  18           HA       ALA  18 -16.598   3.012   1.842
  153   1HB   ALA  18          1HB       ALA  18 -17.579   2.812  -0.385
  154   2HB   ALA  18          2HB       ALA  18 -16.039   2.241  -1.027
  155   3HB   ALA  18          3HB       ALA  18 -16.184   3.890  -0.415
  156    H    GLN  19           H        GLN  19 -14.949   0.285   0.312
  157    HA   GLN  19           HA       GLN  19 -17.064  -1.569   1.136
  158   1HB   GLN  19          2HB       GLN  19 -15.762  -3.230  -0.197
  159   2HB   GLN  19          1HB       GLN  19 -16.303  -1.839  -1.127
  160   1HG   GLN  19          2HG       GLN  19 -14.035  -0.852  -0.853
  161   2HG   GLN  19          1HG       GLN  19 -13.526  -2.350  -0.077
  162   1HE2  GLN  19          1HE2      GLN  19 -11.990  -2.703  -1.699
  163   2HE2  GLN  19          2HE2      GLN  19 -12.443  -3.272  -3.265
  164    H    GLY  20           H        GLY  20 -14.447  -0.264   2.586
  165   1HA   GLY  20          2HA       GLY  20 -13.333  -0.780   4.527
  166   2HA   GLY  20          1HA       GLY  20 -14.396  -2.163   4.694
  167    H    ARG  21           H        ARG  21 -12.784  -2.314   1.719
  168    HA   ARG  21           HA       ARG  21 -10.605  -3.953   2.847
  169   1HB   ARG  21          2HB       ARG  21 -12.530  -4.896   0.702
  170   2HB   ARG  21          1HB       ARG  21 -11.114  -5.776   1.262
  171   1HG   ARG  21          2HG       ARG  21 -12.094  -6.091   3.430
  172   2HG   ARG  21          1HG       ARG  21 -13.451  -5.041   3.017
  173   1HD   ARG  21          2HD       ARG  21 -14.136  -6.634   1.270
  174   2HD   ARG  21          1HD       ARG  21 -12.788  -7.684   1.711
  175    HE   ARG  21           HE       ARG  21 -14.113  -8.520   3.349
  176   1HH1  ARG  21          1HH1      ARG  21 -15.160  -5.283   2.751
  177   2HH1  ARG  21          2HH1      ARG  21 -16.457  -5.383   3.886
  178   1HH2  ARG  21          1HH2      ARG  21 -15.808  -8.621   4.786
  179   2HH2  ARG  21          2HH2      ARG  21 -16.832  -7.244   4.999
  180    H    PHE  22           H        PHE  22  -8.705  -3.563   1.841
  181    HA   PHE  22           HA       PHE  22  -8.687  -2.444  -0.868
  182   1HB   PHE  22          2HB       PHE  22  -7.192  -1.388   0.766
  183   2HB   PHE  22          1HB       PHE  22  -6.411  -2.936   1.079
  184    HD1  PHE  22           HD1      PHE  22  -7.170  -0.624  -1.758
  185    HD2  PHE  22           HD2      PHE  22  -4.454  -3.436  -0.058
  186    HE1  PHE  22           HE1      PHE  22  -5.580  -0.191  -3.585
  187    HE2  PHE  22           HE2      PHE  22  -2.860  -2.998  -1.879
  188    HZ   PHE  22           HZ       PHE  22  -3.421  -1.377  -3.643
  189    H    GLU  23           H        GLU  23  -8.723  -3.846  -2.512
  190    HA   GLU  23           HA       GLU  23  -7.882  -6.625  -2.018
  191   1HB   GLU  23          2HB       GLU  23  -9.721  -5.479  -4.130
  192   2HB   GLU  23          1HB       GLU  23  -9.368  -7.189  -3.900
  193   1HG   GLU  23          2HG       GLU  23 -10.408  -7.163  -1.721
  194   2HG   GLU  23          1HG       GLU  23 -10.657  -5.421  -1.819
  195    H    GLY  24           H        GLY  24  -6.855  -3.865  -3.700
  196   1HA   GLY  24          2HA       GLY  24  -4.868  -3.632  -4.901
  197   2HA   GLY  24          1HA       GLY  24  -4.729  -5.381  -4.975
  198    H    SER  25           H        SER  25  -4.086  -3.985  -7.209
  199    HA   SER  25           HA       SER  25  -6.437  -3.800  -8.950
  200   1HB   SER  25          2HB       SER  25  -4.999  -2.756 -10.563
  201   2HB   SER  25          1HB       SER  25  -4.590  -2.065  -8.994
  202    HG   SER  25           HG       SER  25  -2.774  -3.413  -8.915
  203    H    ALA  26           H        ALA  26  -6.115  -4.682 -11.255
  204    HA   ALA  26           HA       ALA  26  -5.969  -7.461 -11.266
  205   1HB   ALA  26          1HB       ALA  26  -5.889  -7.298 -13.715
  206   2HB   ALA  26          2HB       ALA  26  -5.512  -5.579 -13.589
  207   3HB   ALA  26          3HB       ALA  26  -7.071  -6.184 -13.028
  208    H    VAL  27           H        VAL  27  -3.432  -5.078 -11.747
  209    HA   VAL  27           HA       VAL  27  -1.394  -6.778 -12.711
  210    HB   VAL  27           HB       VAL  27  -1.081  -4.291 -11.007
  211   1HG1  VAL  27          1HG1      VAL  27   1.139  -4.110 -12.067
  212   2HG1  VAL  27          2HG1      VAL  27   0.876  -5.662 -12.863
  213   3HG1  VAL  27          3HG1      VAL  27   0.981  -5.579 -11.104
  214   1HG2  VAL  27          1HG2      VAL  27  -1.187  -4.565 -14.019
  215   2HG2  VAL  27          2HG2      VAL  27  -0.839  -3.080 -13.131
  216   3HG2  VAL  27          3HG2      VAL  27  -2.426  -3.837 -12.995
  217    H    ASP  28           H        ASP  28  -2.249  -5.802  -9.380
  218    HA   ASP  28           HA       ASP  28  -0.255  -7.188  -8.013
  219   1HB   ASP  28          2HB       ASP  28  -3.109  -6.603  -7.187
  220   2HB   ASP  28          1HB       ASP  28  -1.877  -7.225  -6.093
  221    H    LEU  29           H        LEU  29  -3.528  -8.330  -8.855
  222    HA   LEU  29           HA       LEU  29  -3.219 -10.947  -7.856
  223   1HB   LEU  29          2HB       LEU  29  -5.055  -9.769  -9.928
  224   2HB   LEU  29          1HB       LEU  29  -5.108 -11.472  -9.520
  225    HG   LEU  29           HG       LEU  29  -5.648 -10.886  -7.175
  226   1HD1  LEU  29          1HD1      LEU  29  -6.289  -8.606  -6.591
  227   2HD1  LEU  29          2HD1      LEU  29  -5.784  -8.045  -8.186
  228   3HD1  LEU  29          3HD1      LEU  29  -4.590  -8.689  -7.059
  229   1HD2  LEU  29          1HD2      LEU  29  -7.489  -9.681  -9.242
  230   2HD2  LEU  29          2HD2      LEU  29  -7.943 -10.131  -7.597
  231   3HD2  LEU  29          3HD2      LEU  29  -7.439 -11.373  -8.743
  232    H    ALA  30           H        ALA  30  -2.419  -9.565 -11.003
  233    HA   ALA  30           HA       ALA  30  -1.926 -12.045 -12.328
  234   1HB   ALA  30          1HB       ALA  30  -0.891  -9.289 -13.008
  235   2HB   ALA  30          2HB       ALA  30  -2.427  -9.972 -13.542
  236   3HB   ALA  30          3HB       ALA  30  -0.909 -10.690 -14.081
  237    H    ASP  31           H        ASP  31   0.082  -9.847 -10.469
  238    HA   ASP  31           HA       ASP  31   2.562 -11.187 -11.151
  239   1HB   ASP  31          2HB       ASP  31   2.447  -8.746 -10.809
  240   2HB   ASP  31          1HB       ASP  31   1.950  -9.002  -9.142
  241    H    GLY  32           H        GLY  32   0.745 -10.639  -8.121
  242   1HA   GLY  32          2HA       GLY  32   0.798 -13.174  -7.073
  243   2HA   GLY  32          1HA       GLY  32   2.351 -12.486  -6.621
  244    H    PHE  33           H        PHE  33  -1.047 -11.426  -6.693
  245    HA   PHE  33           HA       PHE  33  -2.397 -10.456  -5.163
  246   1HB   PHE  33          2HB       PHE  33  -0.449 -11.779  -3.280
  247   2HB   PHE  33          1HB       PHE  33  -1.829 -10.855  -2.699
  248    HD1  PHE  33           HD1      PHE  33  -4.090 -11.670  -2.989
  249    HD2  PHE  33           HD2      PHE  33  -0.758 -13.922  -4.385
  250    HE1  PHE  33           HE1      PHE  33  -5.531 -13.647  -3.225
  251    HE2  PHE  33           HE2      PHE  33  -2.196 -15.905  -4.619
  252    HZ   PHE  33           HZ       PHE  33  -4.584 -15.769  -4.040
  253    H    ILE  34           H        ILE  34  -2.022  -9.063  -2.822
  254    HA   ILE  34           HA       ILE  34  -1.476  -6.538  -3.846
  255    HB   ILE  34           HB       ILE  34  -1.542  -7.399  -0.943
  256   1HG1  ILE  34          2HG1      ILE  34  -3.698  -6.250  -2.749
  257   2HG1  ILE  34          1HG1      ILE  34  -3.604  -7.919  -2.197
  258   1HG2  ILE  34          1HG2      ILE  34  -1.792  -4.631  -2.143
  259   2HG2  ILE  34          2HG2      ILE  34  -0.442  -5.232  -1.178
  260   3HG2  ILE  34          3HG2      ILE  34  -2.033  -5.040  -0.443
  261   1HD1  ILE  34          1HD1      ILE  34  -5.245  -6.649  -0.937
  262   2HD1  ILE  34          2HD1      ILE  34  -3.997  -5.506  -0.442
  263   3HD1  ILE  34          3HD1      ILE  34  -3.922  -7.184   0.101
  264    H    HIS  35           H        HIS  35   0.306  -5.422  -4.215
  265    HA   HIS  35           HA       HIS  35   2.903  -6.401  -3.323
  266   1HB   HIS  35          2HB       HIS  35   2.173  -4.031  -5.063
  267   2HB   HIS  35          1HB       HIS  35   3.805  -4.628  -4.789
  268    HD1  HIS  35           HD1      HIS  35   1.458  -7.386  -5.225
  269    HD2  HIS  35           HD2      HIS  35   3.668  -4.892  -7.702
  270    HE1  HIS  35           HE1      HIS  35   1.545  -8.548  -7.436
  271    HE2  HIS  35           HE2      HIS  35   2.741  -6.941  -8.966
  272    H    LEU  36           H        LEU  36   4.301  -5.347  -1.929
  273    HA   LEU  36           HA       LEU  36   3.749  -2.561  -1.220
  274   1HB   LEU  36          2HB       LEU  36   4.373  -4.687   0.849
  275   2HB   LEU  36          1HB       LEU  36   4.328  -2.963   1.156
  276    HG   LEU  36           HG       LEU  36   1.836  -3.287   0.162
  277   1HD1  LEU  36          1HD1      LEU  36   0.836  -5.323   1.055
  278   2HD1  LEU  36          2HD1      LEU  36   2.429  -5.901   1.545
  279   3HD1  LEU  36          3HD1      LEU  36   2.056  -5.685  -0.165
  280   1HD2  LEU  36          1HD2      LEU  36   1.031  -3.296   2.465
  281   2HD2  LEU  36          2HD2      LEU  36   2.395  -2.196   2.268
  282   3HD2  LEU  36          3HD2      LEU  36   2.631  -3.770   3.033
  283    H    SER  37           H        SER  37   5.774  -1.751   0.166
  284    HA   SER  37           HA       SER  37   8.250  -2.894  -0.928
  285   1HB   SER  37          2HB       SER  37   7.358  -0.024  -1.303
  286   2HB   SER  37          1HB       SER  37   9.014  -0.567  -1.557
  287    HG   SER  37           HG       SER  37   7.638  -0.501  -3.476
  288    H    ALA  38           H        ALA  38  10.215  -2.129   0.110
  289    HA   ALA  38           HA       ALA  38   9.900  -1.638   2.931
  290   1HB   ALA  38          1HB       ALA  38  12.410  -1.759   1.256
  291   2HB   ALA  38          2HB       ALA  38  11.656  -3.118   2.091
  292   3HB   ALA  38          3HB       ALA  38  12.337  -1.781   3.019
  293    H    GLY  39           H        GLY  39  11.849   0.036   3.728
  294   1HA   GLY  39          2HA       GLY  39  10.726   2.556   3.611
  295   2HA   GLY  39          1HA       GLY  39  12.397   2.250   4.045
  296    H    GLU  40           H        GLU  40  13.935   2.024   2.158
  297    HA   GLU  40           HA       GLU  40  13.735   4.292   0.471
  298   1HB   GLU  40          2HB       GLU  40  15.588   1.902   0.276
  299   2HB   GLU  40          1HB       GLU  40  15.762   3.379  -0.658
  300   1HG   GLU  40          2HG       GLU  40  17.306   3.448   1.158
  301   2HG   GLU  40          1HG       GLU  40  16.043   4.639   1.461
  302    H    GLN  41           H        GLN  41  12.912   0.920   0.021
  303    HA   GLN  41           HA       GLN  41  12.758   0.867  -2.796
  304   1HB   GLN  41          2HB       GLN  41  12.773  -1.096  -1.141
  305   2HB   GLN  41          1HB       GLN  41  11.048  -0.811  -0.957
  306   1HG   GLN  41          2HG       GLN  41  10.706  -1.234  -3.327
  307   2HG   GLN  41          1HG       GLN  41  12.441  -1.462  -3.552
  308   1HE2  GLN  41          1HE2      GLN  41   9.500  -2.868  -2.398
  309   2HE2  GLN  41          2HE2      GLN  41  10.143  -4.440  -2.080
  310    H    ALA  42           H        ALA  42  10.485   1.950  -0.346
  311    HA   ALA  42           HA       ALA  42   8.176   2.147  -1.963
  312   1HB   ALA  42          1HB       ALA  42   8.096   2.303   0.476
  313   2HB   ALA  42          2HB       ALA  42   7.352   3.717  -0.270
  314   3HB   ALA  42          3HB       ALA  42   8.973   3.830   0.416
  315    H    GLN  43           H        GLN  43  10.767   4.485  -1.259
  316    HA   GLN  43           HA       GLN  43   9.747   6.563  -2.898
  317   1HB   GLN  43          2HB       GLN  43  11.416   6.950  -1.126
  318   2HB   GLN  43          1HB       GLN  43  12.607   6.037  -2.042
  319   1HG   GLN  43          2HG       GLN  43  12.627   7.694  -3.782
  320   2HG   GLN  43          1HG       GLN  43  11.289   8.562  -3.033
  321   1HE2  GLN  43          1HE2      GLN  43  11.683   9.832  -1.230
  322   2HE2  GLN  43          2HE2      GLN  43  13.277  10.273  -0.741
  323    H    GLU  44           H        GLU  44  11.931   3.857  -3.529
  324    HA   GLU  44           HA       GLU  44  12.611   4.374  -6.182
  325   1HB   GLU  44          2HB       GLU  44  13.585   2.513  -4.951
  326   2HB   GLU  44          1HB       GLU  44  12.013   1.748  -4.787
  327   1HG   GLU  44          2HG       GLU  44  13.059   0.521  -6.455
  328   2HG   GLU  44          1HG       GLU  44  12.005   1.616  -7.341
  329    H    THR  45           H        THR  45   9.793   2.543  -4.943
  330    HA   THR  45           HA       THR  45   8.486   2.126  -7.386
  331    HB   THR  45           HB       THR  45   7.127   2.604  -4.718
  332    HG1  THR  45           HG1      THR  45   8.694   0.519  -5.629
  333   1HG2  THR  45          1HG2      THR  45   5.597   2.590  -6.645
  334   2HG2  THR  45          2HG2      THR  45   5.360   1.168  -5.628
  335   3HG2  THR  45          3HG2      THR  45   6.246   1.028  -7.147
  336    H    ALA  46           H        ALA  46   8.384   4.890  -5.173
  337    HA   ALA  46           HA       ALA  46   6.339   6.341  -6.471
  338   1HB   ALA  46          1HB       ALA  46   7.075   6.843  -4.192
  339   2HB   ALA  46          2HB       ALA  46   7.143   8.274  -5.220
  340   3HB   ALA  46          3HB       ALA  46   8.627   7.409  -4.814
  341    H    ALA  47           H        ALA  47   9.898   6.555  -6.804
  342    HA   ALA  47           HA       ALA  47   9.867   8.732  -8.613
  343   1HB   ALA  47          1HB       ALA  47  11.823   8.163  -7.285
  344   2HB   ALA  47          2HB       ALA  47  12.222   8.192  -9.004
  345   3HB   ALA  47          3HB       ALA  47  12.006   6.650  -8.173
  346    H    LYS  48           H        LYS  48   9.355   5.354  -9.115
  347    HA   LYS  48           HA       LYS  48   9.777   5.569 -12.002
  348   1HB   LYS  48          2HB       LYS  48   9.492   3.287 -10.069
  349   2HB   LYS  48          1HB       LYS  48   9.291   3.025 -11.789
  350   1HG   LYS  48          2HG       LYS  48  11.538   3.777 -12.227
  351   2HG   LYS  48          1HG       LYS  48  11.751   4.227 -10.535
  352   1HD   LYS  48          2HD       LYS  48  11.776   1.978  -9.824
  353   2HD   LYS  48          1HD       LYS  48  11.096   1.400 -11.346
  354   1HE   LYS  48          2HE       LYS  48  13.505   0.894 -11.106
  355   2HE   LYS  48          1HE       LYS  48  13.150   1.895 -12.510
  356   1HZ   LYS  48          1HZ       LYS  48  15.102   2.673 -11.341
  357   2HZ   LYS  48          2HZ       LYS  48  14.214   2.870  -9.918
  358   3HZ   LYS  48          3HZ       LYS  48  13.876   3.833 -11.263
  359    H    TRP  49           H        TRP  49   7.185   4.812  -9.675
  360    HA   TRP  49           HA       TRP  49   5.320   4.447 -11.931
  361   1HB   TRP  49          2HB       TRP  49   5.234   3.326  -9.127
  362   2HB   TRP  49          1HB       TRP  49   3.938   3.135 -10.304
  363    HD1  TRP  49           HD1      TRP  49   7.509   1.949  -9.561
  364    HE1  TRP  49           HE1      TRP  49   7.994  -0.136 -10.995
  365    HE3  TRP  49           HE3      TRP  49   3.294   1.958 -12.459
  366    HZ2  TRP  49           HZ2      TRP  49   6.753  -1.587 -13.065
  367    HZ3  TRP  49           HZ3      TRP  49   3.020   0.182 -14.143
  368    HH2  TRP  49           HH2      TRP  49   4.717  -1.554 -14.438
  369    H    PHE  50           H        PHE  50   5.913   6.517  -9.228
  370    HA   PHE  50           HA       PHE  50   3.232   7.715  -9.551
  371   1HB   PHE  50          2HB       PHE  50   4.642   7.204  -6.918
  372   2HB   PHE  50          1HB       PHE  50   3.135   8.098  -7.102
  373    HD1  PHE  50           HD1      PHE  50   1.112   6.883  -8.016
  374    HD2  PHE  50           HD2      PHE  50   4.640   4.852  -6.749
  375    HE1  PHE  50           HE1      PHE  50  -0.156   4.783  -7.856
  376    HE2  PHE  50           HE2      PHE  50   3.370   2.750  -6.585
  377    HZ   PHE  50           HZ       PHE  50   0.972   2.714  -7.144
  378    H    ARG  51           H        ARG  51   5.858   8.504 -10.623
  379    HA   ARG  51           HA       ARG  51   6.898  10.675  -9.093
  380   1HB   ARG  51          2HB       ARG  51   8.229   9.389 -10.747
  381   2HB   ARG  51          1HB       ARG  51   7.263  10.094 -12.039
  382   1HG   ARG  51          2HG       ARG  51   8.026  12.354 -11.245
  383   2HG   ARG  51          1HG       ARG  51   9.145  11.519 -10.167
  384   1HD   ARG  51          2HD       ARG  51  10.171  10.421 -12.124
  385   2HD   ARG  51          1HD       ARG  51   9.080  11.318 -13.181
  386    HE   ARG  51           HE       ARG  51  11.421  12.324 -11.823
  387   1HH1  ARG  51          1HH1      ARG  51   8.472  13.156 -13.411
  388   2HH1  ARG  51          2HH1      ARG  51   9.010  14.754 -13.792
  389   1HH2  ARG  51          1HH2      ARG  51  12.085  14.374 -12.321
  390   2HH2  ARG  51          2HH2      ARG  51  11.029  15.427 -13.196
  391    H    GLY  52           H        GLY  52   5.984  12.601  -8.820
  392   1HA   GLY  52          2HA       GLY  52   5.014  14.633  -9.306
  393   2HA   GLY  52          1HA       GLY  52   5.116  14.215 -11.008
  394    H    GLN  53           H        GLN  53   3.259  13.148  -8.136
  395    HA   GLN  53           HA       GLN  53   0.766  13.612  -9.622
  396   1HB   GLN  53          2HB       GLN  53   1.599  10.998  -8.367
  397   2HB   GLN  53          1HB       GLN  53  -0.090  11.393  -8.647
  398   1HG   GLN  53          2HG       GLN  53   0.319  11.567 -11.034
  399   2HG   GLN  53          1HG       GLN  53   2.038  11.268 -10.779
  400   1HE2  GLN  53          1HE2      GLN  53  -1.153   9.848 -10.685
  401   2HE2  GLN  53          2HE2      GLN  53  -0.628   8.203 -10.722
  402    H    ALA  54           H        ALA  54  -1.145  13.685  -8.263
  403    HA   ALA  54           HA       ALA  54  -0.558  14.332  -5.434
  404   1HB   ALA  54          1HB       ALA  54  -2.358  15.954  -5.496
  405   2HB   ALA  54          2HB       ALA  54  -2.726  15.525  -7.167
  406   3HB   ALA  54          3HB       ALA  54  -1.193  16.303  -6.771
  407    H    ASN  55           H        ASN  55  -2.732  14.258  -4.105
  408    HA   ASN  55           HA       ASN  55  -4.307  12.959  -3.103
  409   1HB   ASN  55          2HB       ASN  55  -4.861  12.064  -5.947
  410   2HB   ASN  55          1HB       ASN  55  -5.882  11.680  -4.564
  411   1HD2  ASN  55          1HD2      ASN  55  -4.865  14.137  -6.758
  412   2HD2  ASN  55          2HD2      ASN  55  -6.037  15.318  -6.301
  413    H    LEU  56           H        LEU  56  -1.605  11.984  -3.378
  414    HA   LEU  56           HA       LEU  56  -1.873   9.093  -3.739
  415   1HB   LEU  56          2HB       LEU  56   0.556  10.804  -3.180
  416   2HB   LEU  56          1HB       LEU  56   0.588   9.074  -3.458
  417    HG   LEU  56           HG       LEU  56  -0.208  11.189  -5.471
  418   1HD1  LEU  56          1HD1      LEU  56   1.807  10.475  -6.654
  419   2HD1  LEU  56          2HD1      LEU  56   2.186   9.351  -5.351
  420   3HD1  LEU  56          3HD1      LEU  56   2.192  11.090  -5.049
  421   1HD2  LEU  56          1HD2      LEU  56  -0.073   8.184  -5.792
  422   2HD2  LEU  56          2HD2      LEU  56  -0.381   9.351  -7.079
  423   3HD2  LEU  56          3HD2      LEU  56  -1.544   9.160  -5.769
  424    H    VAL  57           H        VAL  57  -2.139   7.734  -2.066
  425    HA   VAL  57           HA       VAL  57  -1.572   8.693   0.662
  426    HB   VAL  57           HB       VAL  57  -3.267   6.332  -0.196
  427   1HG1  VAL  57          1HG1      VAL  57  -4.023   6.288   2.139
  428   2HG1  VAL  57          2HG1      VAL  57  -2.900   7.592   2.530
  429   3HG1  VAL  57          3HG1      VAL  57  -2.283   6.020   2.020
  430   1HG2  VAL  57          1HG2      VAL  57  -4.097   9.071   0.770
  431   2HG2  VAL  57          2HG2      VAL  57  -5.185   7.711   0.483
  432   3HG2  VAL  57          3HG2      VAL  57  -4.298   8.429  -0.861
  433    H    LEU  58           H        LEU  58   0.234   7.966   1.585
  434    HA   LEU  58           HA       LEU  58   1.539   5.540   0.658
  435   1HB   LEU  58          2HB       LEU  58   2.851   7.579   1.223
  436   2HB   LEU  58          1HB       LEU  58   2.327   7.428   2.889
  437    HG   LEU  58           HG       LEU  58   3.501   5.257   3.057
  438   1HD1  LEU  58          1HD1      LEU  58   3.391   4.545   0.746
  439   2HD1  LEU  58          2HD1      LEU  58   5.068   4.590   1.286
  440   3HD1  LEU  58          3HD1      LEU  58   4.439   5.877   0.256
  441   1HD2  LEU  58          1HD2      LEU  58   5.783   6.143   3.047
  442   2HD2  LEU  58          2HD2      LEU  58   4.646   7.297   3.743
  443   3HD2  LEU  58          3HD2      LEU  58   5.244   7.531   2.100
  444    H    LEU  59           H        LEU  59   0.305   3.816   1.299
  445    HA   LEU  59           HA       LEU  59  -0.729   3.521   3.952
  446   1HB   LEU  59          2HB       LEU  59  -0.307   1.457   1.782
  447   2HB   LEU  59          1HB       LEU  59  -1.190   1.183   3.272
  448    HG   LEU  59           HG       LEU  59  -1.978   3.121   1.088
  449   1HD1  LEU  59          1HD1      LEU  59  -3.842   1.583   0.702
  450   2HD1  LEU  59          2HD1      LEU  59  -3.191   0.483   1.918
  451   3HD1  LEU  59          3HD1      LEU  59  -2.289   0.792   0.434
  452   1HD2  LEU  59          1HD2      LEU  59  -2.637   3.933   3.303
  453   2HD2  LEU  59          2HD2      LEU  59  -3.416   2.387   3.644
  454   3HD2  LEU  59          3HD2      LEU  59  -4.041   3.425   2.363
  455    H    ALA  60           H        ALA  60   0.631   3.392   5.609
  456    HA   ALA  60           HA       ALA  60   3.057   1.729   5.392
  457   1HB   ALA  60          1HB       ALA  60   2.347   3.848   7.432
  458   2HB   ALA  60          2HB       ALA  60   3.451   4.043   6.071
  459   3HB   ALA  60          3HB       ALA  60   3.855   2.932   7.380
  460    H    VAL  61           H        VAL  61   2.466  -0.330   5.896
  461    HA   VAL  61           HA       VAL  61   0.767  -0.745   8.274
  462    HB   VAL  61           HB       VAL  61   1.203  -2.560   5.891
  463   1HG1  VAL  61          1HG1      VAL  61   0.955  -3.891   7.934
  464   2HG1  VAL  61          2HG1      VAL  61  -0.476  -4.036   6.916
  465   3HG1  VAL  61          3HG1      VAL  61  -0.512  -3.003   8.346
  466   1HG2  VAL  61          1HG2      VAL  61  -0.247  -0.658   5.422
  467   2HG2  VAL  61          2HG2      VAL  61  -1.220  -1.023   6.849
  468   3HG2  VAL  61          3HG2      VAL  61  -1.197  -2.144   5.485
  469    H    GLU  62           H        GLU  62   1.542  -1.764  10.006
  470    HA   GLU  62           HA       GLU  62   4.270  -2.624  10.143
  471   1HB   GLU  62          2HB       GLU  62   2.030  -3.025  12.143
  472   2HB   GLU  62          1HB       GLU  62   3.750  -3.225  12.463
  473   1HG   GLU  62          2HG       GLU  62   4.101  -0.838  11.984
  474   2HG   GLU  62          1HG       GLU  62   2.371  -0.649  11.706
  475    H    ALA  63           H        ALA  63   5.089  -4.567   9.698
  476    HA   ALA  63           HA       ALA  63   3.580  -6.522   8.375
  477   1HB   ALA  63          1HB       ALA  63   5.639  -7.804   8.287
  478   2HB   ALA  63          2HB       ALA  63   6.348  -6.782   9.536
  479   3HB   ALA  63          3HB       ALA  63   5.953  -6.100   7.957
  480    H    GLU  64           H        GLU  64   5.067  -6.717  11.640
  481    HA   GLU  64           HA       GLU  64   4.361  -9.391  12.097
  482   1HB   GLU  64          2HB       GLU  64   4.763  -7.289  14.234
  483   2HB   GLU  64          1HB       GLU  64   4.856  -9.030  14.447
  484   1HG   GLU  64          2HG       GLU  64   7.074  -8.529  14.318
  485   2HG   GLU  64          1HG       GLU  64   6.737  -8.832  12.615
  486    HA   PRO  65           HA       PRO  65   0.376  -7.785  14.463
  487   1HB   PRO  65          2HB       PRO  65  -0.086  -5.204  13.063
  488   2HB   PRO  65          1HB       PRO  65  -0.295  -5.616  14.770
  489   1HG   PRO  65          2HG       PRO  65   1.749  -4.102  13.978
  490   2HG   PRO  65          1HG       PRO  65   1.963  -5.321  15.250
  491   1HD   PRO  65          2HD       PRO  65   2.713  -5.464  12.346
  492   2HD   PRO  65          1HD       PRO  65   3.638  -5.980  13.772
  493    H    LEU  66           H        LEU  66   1.133  -7.473  11.090
  494    HA   LEU  66           HA       LEU  66  -1.489  -7.502  10.014
  495   1HB   LEU  66          2HB       LEU  66   0.728  -6.991   8.835
  496   2HB   LEU  66          1HB       LEU  66   0.947  -8.723   8.707
  497    HG   LEU  66           HG       LEU  66  -1.375  -7.197   7.490
  498   1HD1  LEU  66          1HD1      LEU  66  -0.236  -7.546   5.345
  499   2HD1  LEU  66          2HD1      LEU  66   1.145  -8.241   6.192
  500   3HD1  LEU  66          3HD1      LEU  66   0.721  -6.545   6.438
  501   1HD2  LEU  66          1HD2      LEU  66  -0.468 -10.060   7.126
  502   2HD2  LEU  66          2HD2      LEU  66  -1.739  -9.263   6.198
  503   3HD2  LEU  66          3HD2      LEU  66  -1.943  -9.520   7.929
  504    H    GLY  67           H        GLY  67   0.841 -10.241  10.121
  505   1HA   GLY  67          2HA       GLY  67  -0.448 -12.207  11.347
  506   2HA   GLY  67          1HA       GLY  67  -1.418 -12.097   9.891
  507    H    GLU  68           H        GLU  68  -0.959 -13.895   8.773
  508    HA   GLU  68           HA       GLU  68   1.806 -14.919   8.724
  509   1HB   GLU  68          2HB       GLU  68   0.085 -16.414   9.627
  510   2HB   GLU  68          1HB       GLU  68  -0.836 -16.282   8.138
  511   1HG   GLU  68          2HG       GLU  68   1.058 -17.351   6.934
  512   2HG   GLU  68          1HG       GLU  68   1.861 -17.581   8.487
  513    H    ASP  69           H        ASP  69  -0.563 -13.486   6.689
  514    HA   ASP  69           HA       ASP  69   0.102 -14.912   4.274
  515   1HB   ASP  69          2HB       ASP  69  -1.564 -12.401   4.584
  516   2HB   ASP  69          1HB       ASP  69  -1.609 -13.553   3.249
  517    H    LEU  70           H        LEU  70   2.336 -13.412   5.482
  518    HA   LEU  70           HA       LEU  70   2.859 -11.398   3.384
  519   1HB   LEU  70          2HB       LEU  70   2.842 -10.490   5.658
  520   2HB   LEU  70          1HB       LEU  70   4.052 -11.661   6.149
  521    HG   LEU  70           HG       LEU  70   5.655 -10.610   4.540
  522   1HD1  LEU  70          1HD1      LEU  70   5.140  -8.378   3.659
  523   2HD1  LEU  70          2HD1      LEU  70   3.487  -8.529   4.257
  524   3HD1  LEU  70          3HD1      LEU  70   4.071  -9.612   2.992
  525   1HD2  LEU  70          1HD2      LEU  70   4.508  -8.756   6.627
  526   2HD2  LEU  70          2HD2      LEU  70   6.118  -8.643   5.912
  527   3HD2  LEU  70          3HD2      LEU  70   5.693 -10.031   6.913
  528    H    LYS  71           H        LYS  71   4.646 -11.572   2.113
  529    HA   LYS  71           HA       LYS  71   6.865 -13.309   2.877
  530   1HB   LYS  71          2HB       LYS  71   5.406 -14.827   1.625
  531   2HB   LYS  71          1HB       LYS  71   5.348 -13.691   0.283
  532   1HG   LYS  71          2HG       LYS  71   7.859 -13.958   0.105
  533   2HG   LYS  71          1HG       LYS  71   7.709 -15.295   1.246
  534   1HD   LYS  71          2HD       LYS  71   6.175 -16.432  -0.309
  535   2HD   LYS  71          1HD       LYS  71   6.352 -15.100  -1.451
  536   1HE   LYS  71          2HE       LYS  71   8.790 -15.575  -1.549
  537   2HE   LYS  71          1HE       LYS  71   8.525 -16.971  -0.505
  538   1HZ   LYS  71          1HZ       LYS  71   8.609 -17.658  -2.793
  539   2HZ   LYS  71          2HZ       LYS  71   7.398 -16.560  -3.220
  540   3HZ   LYS  71          3HZ       LYS  71   7.033 -17.873  -2.217
  541    H    TRP  72           H        TRP  72   8.749 -12.313   2.401
  542    HA   TRP  72           HA       TRP  72   8.796  -9.952   0.752
  543   1HB   TRP  72          2HB       TRP  72  11.023 -11.486   2.114
  544   2HB   TRP  72          1HB       TRP  72  11.257  -9.980   1.233
  545    HD1  TRP  72           HD1      TRP  72   9.510 -11.321   4.409
  546    HE1  TRP  72           HE1      TRP  72   9.217  -9.362   6.050
  547    HE3  TRP  72           HE3      TRP  72  11.148  -7.497   1.428
  548    HZ2  TRP  72           HZ2      TRP  72   9.617  -6.572   6.081
  549    HZ3  TRP  72           HZ3      TRP  72  11.158  -5.212   2.339
  550    HH2  TRP  72           HH2      TRP  72  10.408  -4.761   4.620
  551    H    GLU  73           H        GLU  73   8.169 -10.661  -1.292
  552    HA   GLU  73           HA       GLU  73   9.726 -12.769  -2.608
  553   1HB   GLU  73          2HB       GLU  73   7.275 -12.896  -2.699
  554   2HB   GLU  73          1HB       GLU  73   7.207 -11.314  -3.459
  555   1HG   GLU  73          2HG       GLU  73   6.876 -12.984  -5.135
  556   2HG   GLU  73          1HG       GLU  73   8.450 -12.237  -5.394
  557    H    ALA  74           H        ALA  74  11.440 -12.215  -3.827
  558    HA   ALA  74           HA       ALA  74  11.846  -9.528  -4.786
  559   1HB   ALA  74          1HB       ALA  74  13.920 -10.380  -5.737
  560   2HB   ALA  74          2HB       ALA  74  13.415 -12.037  -5.395
  561   3HB   ALA  74          3HB       ALA  74  13.733 -10.920  -4.068
  562    H    SER  75           H        SER  75   9.655  -9.711  -5.929
  563    HA   SER  75           HA       SER  75   9.514 -11.297  -8.323
  564   1HB   SER  75          2HB       SER  75   7.332 -10.097  -8.664
  565   2HB   SER  75          1HB       SER  75   7.470 -10.919  -7.110
  566    HG   SER  75           HG       SER  75   7.954  -8.146  -7.550
  567    H    ARG  76           H        ARG  76  11.540 -10.344  -9.214
  568    HA   ARG  76           HA       ARG  76  12.513  -9.278 -10.962
  569   1HB   ARG  76          2HB       ARG  76   9.676  -8.370 -11.468
  570   2HB   ARG  76          1HB       ARG  76  11.009  -8.004 -12.555
  571   1HG   ARG  76          2HG       ARG  76  11.316 -10.268 -13.119
  572   2HG   ARG  76          1HG       ARG  76  10.336 -10.823 -11.762
  573   1HD   ARG  76          2HD       ARG  76   8.880  -9.057 -13.598
  574   2HD   ARG  76          1HD       ARG  76   9.470 -10.530 -14.364
  575    HE   ARG  76           HE       ARG  76   8.012 -11.773 -13.079
  576   1HH1  ARG  76          1HH1      ARG  76   8.023  -8.525 -11.918
  577   2HH1  ARG  76          2HH1      ARG  76   6.588  -8.750 -10.980
  578   1HH2  ARG  76          1HH2      ARG  76   6.164 -12.025 -11.874
  579   2HH2  ARG  76          2HH2      ARG  76   5.561 -10.688 -10.957
  580    H    GLY  77           H        GLY  77  13.239  -7.166 -11.760
  581   1HA   GLY  77          2HA       GLY  77  13.562  -4.851 -11.611
  582   2HA   GLY  77          1HA       GLY  77  12.479  -4.800 -10.230
  583    H    GLY  78           H        GLY  78  13.447  -6.098  -8.257
  584   1HA   GLY  78          2HA       GLY  78  15.982  -6.684  -7.662
  585   2HA   GLY  78          1HA       GLY  78  16.087  -4.934  -7.754
  586    H    ALA  79           H        ALA  79  16.538  -6.698  -5.468
  587    HA   ALA  79           HA       ALA  79  16.214  -6.708  -3.222
  588   1HB   ALA  79          1HB       ALA  79  14.364  -4.369  -3.706
  589   2HB   ALA  79          2HB       ALA  79  16.098  -4.269  -3.399
  590   3HB   ALA  79          3HB       ALA  79  15.014  -4.874  -2.145
  591    H    ARG  80           H        ARG  80  13.983  -6.404  -1.599
  592    HA   ARG  80           HA       ARG  80  12.328  -8.644  -2.574
  593   1HB   ARG  80          2HB       ARG  80  12.984  -7.754   0.241
  594   2HB   ARG  80          1HB       ARG  80  11.769  -8.968  -0.127
  595   1HG   ARG  80          2HG       ARG  80  13.672 -10.187   0.444
  596   2HG   ARG  80          1HG       ARG  80  13.628 -10.245  -1.317
  597   1HD   ARG  80          2HD       ARG  80  15.281  -8.417  -1.398
  598   2HD   ARG  80          1HD       ARG  80  15.330  -8.397   0.365
  599    HE   ARG  80           HE       ARG  80  16.152 -10.720  -1.253
  600   1HH1  ARG  80          1HH1      ARG  80  16.613  -8.603   1.434
  601   2HH1  ARG  80          2HH1      ARG  80  18.001  -9.462   1.997
  602   1HH2  ARG  80          1HH2      ARG  80  17.934 -11.801  -0.511
  603   2HH2  ARG  80          2HH2      ARG  80  18.749 -11.236   0.908
  604    H    PHE  81           H        PHE  81  10.303  -8.238  -3.139
  605    HA   PHE  81           HA       PHE  81   8.927  -5.864  -2.091
  606   1HB   PHE  81          2HB       PHE  81   8.203  -7.720  -4.383
  607   2HB   PHE  81          1HB       PHE  81   7.265  -6.313  -3.893
  608    HD1  PHE  81           HD1      PHE  81  10.387  -7.450  -5.470
  609    HD2  PHE  81           HD2      PHE  81   7.985  -4.085  -4.429
  610    HE1  PHE  81           HE1      PHE  81  11.743  -6.025  -6.947
  611    HE2  PHE  81           HE2      PHE  81   9.342  -2.659  -5.902
  612    HZ   PHE  81           HZ       PHE  81  11.222  -3.628  -7.165
  613    HA   PRO  82           HA       PRO  82   6.806  -8.680   0.816
  614   1HB   PRO  82          2HB       PRO  82   5.369  -6.103   1.286
  615   2HB   PRO  82          1HB       PRO  82   6.061  -7.237   2.454
  616   1HG   PRO  82          2HG       PRO  82   7.283  -4.934   1.910
  617   2HG   PRO  82          1HG       PRO  82   8.218  -6.419   2.163
  618   1HD   PRO  82          2HD       PRO  82   7.553  -5.010  -0.389
  619   2HD   PRO  82          1HD       PRO  82   9.044  -5.851   0.079
  620    H    HIS  83           H        HIS  83   5.457 -10.001  -0.310
  621    HA   HIS  83           HA       HIS  83   3.100  -8.902  -1.665
  622   1HB   HIS  83          2HB       HIS  83   4.331 -11.663  -1.609
  623   2HB   HIS  83          1HB       HIS  83   2.752 -11.351  -2.317
  624    HD1  HIS  83           HD1      HIS  83   3.597 -12.058  -4.641
  625    HD2  HIS  83           HD2      HIS  83   5.631  -8.802  -3.056
  626    HE1  HIS  83           HE1      HIS  83   4.920 -11.104  -6.542
  627    HE2  HIS  83           HE2      HIS  83   6.288  -9.263  -5.521
  628    H    LEU  84           H        LEU  84   1.093  -9.013  -0.829
  629    HA   LEU  84           HA       LEU  84   0.683 -10.525   1.671
  630   1HB   LEU  84          2HB       LEU  84   0.320  -8.122   1.876
  631   2HB   LEU  84          1HB       LEU  84  -0.818  -8.155   0.542
  632    HG   LEU  84           HG       LEU  84  -2.361  -9.533   1.885
  633   1HD1  LEU  84          1HD1      LEU  84  -0.754 -10.695   3.288
  634   2HD1  LEU  84          2HD1      LEU  84  -1.944  -9.855   4.283
  635   3HD1  LEU  84          3HD1      LEU  84  -0.326  -9.181   4.086
  636   1HD2  LEU  84          1HD2      LEU  84  -1.470  -7.004   3.279
  637   2HD2  LEU  84          2HD2      LEU  84  -3.033  -7.798   3.473
  638   3HD2  LEU  84          3HD2      LEU  84  -2.590  -7.100   1.916
  639    H    TYR  85           H        TYR  85  -0.322 -12.417   1.393
  640    HA   TYR  85           HA       TYR  85  -1.694 -13.021  -1.075
  641   1HB   TYR  85          2HB       TYR  85  -1.040 -14.686   1.362
  642   2HB   TYR  85          1HB       TYR  85  -1.886 -15.326  -0.045
  643    HD1  TYR  85           HD2      TYR  85  -0.720 -15.503  -2.219
  644    HD2  TYR  85           HD1      TYR  85   1.340 -14.283   1.304
  645    HE1  TYR  85           HE2      TYR  85   1.426 -15.957  -3.323
  646    HE2  TYR  85           HE1      TYR  85   3.495 -14.735   0.205
  647    HH   TYR  85           HH       TYR  85   4.336 -16.184  -1.679
  648    H    ARG  86           H        ARG  86  -3.081 -11.118   0.745
  649    HA   ARG  86           HA       ARG  86  -5.697 -12.279   0.456
  650   1HB   ARG  86          2HB       ARG  86  -6.421 -12.204   2.739
  651   2HB   ARG  86          1HB       ARG  86  -4.946 -13.159   2.687
  652   1HG   ARG  86          2HG       ARG  86  -3.665 -11.273   3.537
  653   2HG   ARG  86          1HG       ARG  86  -5.114 -10.265   3.526
  654   1HD   ARG  86          2HD       ARG  86  -6.165 -11.870   5.122
  655   2HD   ARG  86          1HD       ARG  86  -4.626 -12.726   5.206
  656    HE   ARG  86           HE       ARG  86  -4.469  -9.915   5.839
  657   1HH1  ARG  86          1HH1      ARG  86  -4.923 -13.099   7.064
  658   2HH1  ARG  86          2HH1      ARG  86  -4.571 -12.644   8.693
  659   1HH2  ARG  86          1HH2      ARG  86  -4.010  -9.332   7.928
  660   2HH2  ARG  86          2HH2      ARG  86  -4.037 -10.534   9.172
  661    HA   PRO  87           HA       PRO  87  -6.923  -7.997  -0.092
  662   1HB   PRO  87          2HB       PRO  87  -9.363  -8.699   1.474
  663   2HB   PRO  87          1HB       PRO  87  -9.229  -7.976  -0.134
  664   1HG   PRO  87          2HG       PRO  87  -9.943 -10.523   0.134
  665   2HG   PRO  87          1HG       PRO  87  -8.845 -10.026  -1.170
  666   1HD   PRO  87          2HD       PRO  87  -8.211 -11.384   1.433
  667   2HD   PRO  87          1HD       PRO  87  -7.542 -11.683  -0.186
  668    H    LEU  88           H        LEU  88  -6.008  -6.417   1.065
  669    HA   LEU  88           HA       LEU  88  -5.578  -6.602   3.888
  670   1HB   LEU  88          2HB       LEU  88  -3.935  -5.570   2.402
  671   2HB   LEU  88          1HB       LEU  88  -5.088  -4.329   1.954
  672    HG   LEU  88           HG       LEU  88  -5.064  -3.477   4.278
  673   1HD1  LEU  88          1HD1      LEU  88  -4.516  -5.539   5.450
  674   2HD1  LEU  88          2HD1      LEU  88  -3.361  -4.270   5.852
  675   3HD1  LEU  88          3HD1      LEU  88  -2.910  -5.547   4.721
  676   1HD2  LEU  88          1HD2      LEU  88  -2.814  -2.503   4.206
  677   2HD2  LEU  88          2HD2      LEU  88  -3.577  -2.496   2.617
  678   3HD2  LEU  88          3HD2      LEU  88  -2.339  -3.695   2.994
  679    H    LEU  89           H        LEU  89  -7.418  -6.466   5.104
  680    HA   LEU  89           HA       LEU  89  -9.638  -4.823   4.623
  681   1HB   LEU  89          2HB       LEU  89  -8.615  -5.731   7.325
  682   2HB   LEU  89          1HB       LEU  89 -10.247  -5.206   6.956
  683    HG   LEU  89           HG       LEU  89  -8.898  -7.735   5.999
  684   1HD1  LEU  89          1HD1      LEU  89 -10.661  -8.847   7.282
  685   2HD1  LEU  89          2HD1      LEU  89 -11.266  -7.278   7.814
  686   3HD1  LEU  89          3HD1      LEU  89  -9.660  -7.818   8.307
  687   1HD2  LEU  89          1HD2      LEU  89 -11.010  -8.284   4.900
  688   2HD2  LEU  89          2HD2      LEU  89 -10.297  -6.826   4.213
  689   3HD2  LEU  89          3HD2      LEU  89 -11.656  -6.700   5.331
  690    H    VAL  90           H        VAL  90 -10.004  -2.677   4.915
  691    HA   VAL  90           HA       VAL  90  -7.951  -0.854   5.443
  692    HB   VAL  90           HB       VAL  90 -10.942  -0.440   5.701
  693   1HG1  VAL  90          1HG1      VAL  90 -10.437   1.966   5.404
  694   2HG1  VAL  90          2HG1      VAL  90  -8.714   1.600   5.518
  695   3HG1  VAL  90          3HG1      VAL  90  -9.769   1.319   6.903
  696   1HG2  VAL  90          1HG2      VAL  90  -9.050   0.133   3.410
  697   2HG2  VAL  90          2HG2      VAL  90 -10.777   0.486   3.441
  698   3HG2  VAL  90          3HG2      VAL  90 -10.221  -1.186   3.478
  699    H    SER  91           H        SER  91 -10.271  -2.368   7.613
  700    HA   SER  91           HA       SER  91  -9.748  -0.848   9.936
  701   1HB   SER  91          2HB       SER  91 -10.620  -2.863  11.167
  702   2HB   SER  91          1HB       SER  91 -11.671  -2.309   9.864
  703    HG   SER  91           HG       SER  91 -10.411  -4.703  10.170
  704    H    GLU  92           H        GLU  92  -7.919  -3.372   8.401
  705    HA   GLU  92           HA       GLU  92  -6.267  -3.900  10.732
  706   1HB   GLU  92          2HB       GLU  92  -6.839  -5.772   9.321
  707   2HB   GLU  92          1HB       GLU  92  -6.206  -4.959   7.897
  708   1HG   GLU  92          2HG       GLU  92  -3.988  -5.287   8.544
  709   2HG   GLU  92          1HG       GLU  92  -4.423  -5.595  10.225
  710    H    VAL  93           H        VAL  93  -6.222  -1.752   8.053
  711    HA   VAL  93           HA       VAL  93  -3.435  -1.454   7.665
  712    HB   VAL  93           HB       VAL  93  -5.611   0.612   7.236
  713   1HG1  VAL  93          1HG1      VAL  93  -2.813   0.438   6.099
  714   2HG1  VAL  93          2HG1      VAL  93  -3.417   1.649   7.232
  715   3HG1  VAL  93          3HG1      VAL  93  -4.049   1.589   5.586
  716   1HG2  VAL  93          1HG2      VAL  93  -5.615  -0.180   4.904
  717   2HG2  VAL  93          2HG2      VAL  93  -6.101  -1.443   6.035
  718   3HG2  VAL  93          3HG2      VAL  93  -4.478  -1.455   5.343
  719    H    THR  94           H        THR  94  -1.964  -0.723   9.056
  720    HA   THR  94           HA       THR  94  -2.677   0.351  11.576
  721    HB   THR  94           HB       THR  94  -0.215   0.488  11.916
  722    HG1  THR  94           HG1      THR  94   0.801   0.769  10.057
  723   1HG2  THR  94          1HG2      THR  94  -1.450  -1.579  12.419
  724   2HG2  THR  94          2HG2      THR  94   0.183  -1.925  11.850
  725   3HG2  THR  94          3HG2      THR  94  -1.190  -2.124  10.762
  726    H    ARG  95           H        ARG  95  -0.975   1.812   8.759
  727    HA   ARG  95           HA       ARG  95  -1.868   4.432   9.717
  728   1HB   ARG  95          2HB       ARG  95   0.324   4.224  10.697
  729   2HB   ARG  95          1HB       ARG  95   1.020   3.764   9.152
  730   1HG   ARG  95          2HG       ARG  95   0.665   5.970   8.265
  731   2HG   ARG  95          1HG       ARG  95  -0.235   6.451   9.704
  732   1HD   ARG  95          2HD       ARG  95   2.670   5.621   9.690
  733   2HD   ARG  95          1HD       ARG  95   2.106   7.292   9.667
  734    HE   ARG  95           HE       ARG  95   0.900   6.460  11.848
  735   1HH1  ARG  95          1HH1      ARG  95   4.124   5.797  10.809
  736   2HH1  ARG  95          2HH1      ARG  95   4.716   5.641  12.427
  737   1HH2  ARG  95          1HH2      ARG  95   1.691   6.258  13.908
  738   2HH2  ARG  95          2HH2      ARG  95   3.363   5.885  14.149
  739    H    GLU  96           H        GLU  96  -2.178   5.967   8.216
  740    HA   GLU  96           HA       GLU  96  -1.412   5.486   5.410
  741   1HB   GLU  96          2HB       GLU  96  -3.610   6.235   4.636
  742   2HB   GLU  96          1HB       GLU  96  -3.784   4.835   5.688
  743   1HG   GLU  96          2HG       GLU  96  -4.369   6.357   7.552
  744   2HG   GLU  96          1HG       GLU  96  -4.287   7.715   6.432
  745    H    ALA  97           H        ALA  97  -0.652   7.326   4.361
  746    HA   ALA  97           HA       ALA  97  -1.152   9.951   5.582
  747   1HB   ALA  97          1HB       ALA  97   1.223  10.526   5.590
  748   2HB   ALA  97          2HB       ALA  97   1.627   8.894   5.052
  749   3HB   ALA  97          3HB       ALA  97   0.892   9.145   6.636
  750    H    ASP  98           H        ASP  98  -1.811  11.298   4.015
  751    HA   ASP  98           HA       ASP  98  -1.406  10.795   1.239
  752   1HB   ASP  98          2HB       ASP  98  -3.367  12.012   2.210
  753   2HB   ASP  98          1HB       ASP  98  -2.307  13.368   2.566
  754    H    LEU  99           H        LEU  99   0.008  11.744  -0.229
  755    HA   LEU  99           HA       LEU  99   2.462  12.766   0.957
  756   1HB   LEU  99          2HB       LEU  99   1.796  11.773  -1.814
  757   2HB   LEU  99          1HB       LEU  99   3.338  12.506  -1.426
  758    HG   LEU  99           HG       LEU  99   3.633  10.140  -1.401
  759   1HD1  LEU  99          1HD1      LEU  99   4.402   9.731   0.872
  760   2HD1  LEU  99          2HD1      LEU  99   3.475  11.117   1.449
  761   3HD1  LEU  99          3HD1      LEU  99   4.825  11.358   0.339
  762   1HD2  LEU  99          1HD2      LEU  99   1.320   9.988   0.532
  763   2HD2  LEU  99          2HD2      LEU  99   2.343   8.640   0.038
  764   3HD2  LEU  99          3HD2      LEU  99   1.318   9.448  -1.148
  765    H    ASP 100           H        ASP 100   2.337  14.932   1.363
  766    HA   ASP 100           HA       ASP 100   1.546  16.809  -0.696
  767   1HB   ASP 100          2HB       ASP 100   1.245  17.368   1.692
  768   2HB   ASP 100          1HB       ASP 100   2.985  17.264   1.939
  769    H    LEU 101           H        LEU 101   2.854  16.451  -2.463
  770    HA   LEU 101           HA       LEU 101   5.716  16.057  -2.100
  771   1HB   LEU 101          2HB       LEU 101   3.858  15.766  -4.444
  772   2HB   LEU 101          1HB       LEU 101   5.600  15.634  -4.617
  773    HG   LEU 101           HG       LEU 101   4.005  13.907  -2.720
  774   1HD1  LEU 101          1HD1      LEU 101   4.849  13.295  -5.553
  775   2HD1  LEU 101          2HD1      LEU 101   3.197  13.467  -4.959
  776   3HD1  LEU 101          3HD1      LEU 101   4.197  12.124  -4.405
  777   1HD2  LEU 101          1HD2      LEU 101   6.027  12.482  -2.823
  778   2HD2  LEU 101          2HD2      LEU 101   6.357  14.082  -2.164
  779   3HD2  LEU 101          3HD2      LEU 101   6.818  13.705  -3.824
  780    H    ASP 102           H        ASP 102   7.311  17.125  -3.390
  781    HA   ASP 102           HA       ASP 102   6.656  19.779  -4.433
  782   1HB   ASP 102          2HB       ASP 102   7.153  20.085  -2.020
  783   2HB   ASP 102          1HB       ASP 102   8.707  19.299  -2.254
  784    H    ALA 103           H        ALA 103   8.605  20.800  -5.448
  785    HA   ALA 103           HA       ALA 103  10.159  20.804  -7.094
  786   1HB   ALA 103          1HB       ALA 103  11.388  18.552  -5.506
  787   2HB   ALA 103          2HB       ALA 103  11.567  20.269  -5.145
  788   3HB   ALA 103          3HB       ALA 103  12.214  19.612  -6.650
  789    H    ASP 104           H        ASP 104  10.497  17.332  -6.568
  790    HA   ASP 104           HA       ASP 104  10.057  16.911  -9.441
  791   1HB   ASP 104          2HB       ASP 104  11.164  14.934  -7.438
  792   2HB   ASP 104          1HB       ASP 104  11.310  14.883  -9.193
  793    H    GLY 105           H        GLY 105   8.300  16.681  -6.625
  794   1HA   GLY 105          2HA       GLY 105   6.320  15.644  -6.073
  795   2HA   GLY 105          1HA       GLY 105   6.214  15.098  -7.740
  796    H    VAL 106           H        VAL 106   8.615  14.406  -5.203
  797    HA   VAL 106           HA       VAL 106   7.894  11.599  -5.040
  798    HB   VAL 106           HB       VAL 106  10.584  12.343  -6.210
  799   1HG1  VAL 106          1HG1      VAL 106   9.440   9.636  -5.503
  800   2HG1  VAL 106          2HG1      VAL 106  10.793  10.449  -4.718
  801   3HG1  VAL 106          3HG1      VAL 106  10.945   9.897  -6.385
  802   1HG2  VAL 106          1HG2      VAL 106   8.850  12.493  -7.913
  803   2HG2  VAL 106          2HG2      VAL 106   8.274  10.878  -7.500
  804   3HG2  VAL 106          3HG2      VAL 106   9.874  11.087  -8.212
  805    HA   PRO 107           HA       PRO 107  12.283  12.388  -2.757
  806   1HB   PRO 107          2HB       PRO 107  12.200  14.982  -1.614
  807   2HB   PRO 107          1HB       PRO 107  13.206  14.442  -2.963
  808   1HG   PRO 107          2HG       PRO 107  10.516  15.773  -3.019
  809   2HG   PRO 107          1HG       PRO 107  11.922  16.071  -4.046
  810   1HD   PRO 107          2HD       PRO 107   9.957  14.679  -5.036
  811   2HD   PRO 107          1HD       PRO 107  11.609  14.048  -5.243
  812    H    GLN 108           H        GLN 108  10.184  14.682  -1.054
  813    HA   GLN 108           HA       GLN 108  10.770  13.917   1.492
  814   1HB   GLN 108          2HB       GLN 108   8.655  15.065   2.163
  815   2HB   GLN 108          1HB       GLN 108   9.674  15.983   1.065
  816   1HG   GLN 108          2HG       GLN 108   7.355  14.345   0.068
  817   2HG   GLN 108          1HG       GLN 108   7.149  15.995   0.647
  818   1HE2  GLN 108          1HE2      GLN 108   8.504  13.987  -1.896
  819   2HE2  GLN 108          2HE2      GLN 108   8.802  15.288  -2.990
  820    H    LEU 109           H        LEU 109  10.708  11.436   1.123
  821    HA   LEU 109           HA       LEU 109   8.121  10.407   2.046
  822   1HB   LEU 109          2HB       LEU 109  10.029   9.340   0.293
  823   2HB   LEU 109          1HB       LEU 109  10.169   8.375   1.752
  824    HG   LEU 109           HG       LEU 109   7.710   7.957   1.657
  825   1HD1  LEU 109          1HD1      LEU 109   7.927   9.334  -1.020
  826   2HD1  LEU 109          2HD1      LEU 109   7.051   9.924   0.395
  827   3HD1  LEU 109          3HD1      LEU 109   6.516   8.455  -0.423
  828   1HD2  LEU 109          1HD2      LEU 109   9.294   6.323   0.765
  829   2HD2  LEU 109          2HD2      LEU 109   9.248   7.126  -0.803
  830   3HD2  LEU 109          3HD2      LEU 109   7.799   6.347  -0.168
  831    H    GLY 110           H        GLY 110  11.358  11.038   3.122
  832   1HA   GLY 110          2HA       GLY 110  11.806   9.158   5.074
  833   2HA   GLY 110          1HA       GLY 110  12.430  10.794   5.132
  834    H    ASP 111           H        ASP 111  10.150  12.278   5.573
  835    HA   ASP 111           HA       ASP 111   9.771  11.989   8.350
  836   1HB   ASP 111          2HB       ASP 111   8.129  13.795   8.129
  837   2HB   ASP 111          1HB       ASP 111   9.570  14.142   7.179
  838    H    HIS 112           H        HIS 112   7.994  10.701   5.636
  839    HA   HIS 112           HA       HIS 112   5.706   9.882   7.219
  840   1HB   HIS 112          2HB       HIS 112   6.498   9.009   4.429
  841   2HB   HIS 112          1HB       HIS 112   4.927   8.777   5.189
  842    HD1  HIS 112           HD1      HIS 112   3.640  11.124   5.772
  843    HD2  HIS 112           HD2      HIS 112   6.687  11.268   2.951
  844    HE1  HIS 112           HE1      HIS 112   3.250  13.231   4.474
  845    HE2  HIS 112           HE2      HIS 112   5.231  13.408   2.934
  846    H    LEU 113           H        LEU 113   8.745   8.529   6.192
  847    HA   LEU 113           HA       LEU 113   8.115   5.793   6.726
  848   1HB   LEU 113          2HB       LEU 113  10.857   7.057   6.684
  849   2HB   LEU 113          1HB       LEU 113  10.472   5.361   6.461
  850    HG   LEU 113           HG       LEU 113   9.867   7.619   4.542
  851   1HD1  LEU 113          1HD1      LEU 113  12.196   6.941   4.525
  852   2HD1  LEU 113          2HD1      LEU 113  11.394   6.414   3.047
  853   3HD1  LEU 113          3HD1      LEU 113  11.727   5.250   4.331
  854   1HD2  LEU 113          1HD2      LEU 113   9.200   4.687   4.267
  855   2HD2  LEU 113          2HD2      LEU 113   8.970   5.929   3.034
  856   3HD2  LEU 113          3HD2      LEU 113   8.040   5.991   4.530
  857    H    ALA 114           H        ALA 114  10.475   7.849   8.377
  858    HA   ALA 114           HA       ALA 114   9.503   7.794  10.956
  859   1HB   ALA 114          1HB       ALA 114  11.412   5.482  10.542
  860   2HB   ALA 114          2HB       ALA 114   9.688   5.344  10.881
  861   3HB   ALA 114          3HB       ALA 114  10.769   6.035  12.089
  862    H    LEU 115           H        LEU 115  12.781   6.688  10.187
  863    HA   LEU 115           HA       LEU 115  14.831   7.596  10.526
  864   1HB   LEU 115          2HB       LEU 115  13.392  10.087   9.609
  865   2HB   LEU 115          1HB       LEU 115  15.135   9.954   9.761
  866    HG   LEU 115           HG       LEU 115  13.379   8.387   7.860
  867   1HD1  LEU 115          1HD1      LEU 115  15.465  10.508   7.347
  868   2HD1  LEU 115          2HD1      LEU 115  13.719  10.705   7.187
  869   3HD1  LEU 115          3HD1      LEU 115  14.582   9.601   6.118
  870   1HD2  LEU 115          1HD2      LEU 115  15.222   6.999   8.660
  871   2HD2  LEU 115          2HD2      LEU 115  16.375   8.270   8.244
  872   3HD2  LEU 115          3HD2      LEU 115  15.463   7.454   6.973
  873    H    GLU 116           H        GLU 116  12.906   7.658  12.824
  874    HA   GLU 116           HA       GLU 116  13.559   9.997  14.369
  875   1HB   GLU 116          2HB       GLU 116  12.137   7.413  15.012
  876   2HB   GLU 116          1HB       GLU 116  12.443   8.639  16.236
  877   1HG   GLU 116          2HG       GLU 116  10.885   9.082  13.690
  878   2HG   GLU 116          1HG       GLU 116  10.178   8.779  15.277
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1   9.825  -4.016  15.873
    2   2H    MET   1          2H        MET   1  10.374  -2.661  15.025
    3   3H    MET   1          3H        MET   1  10.970  -4.198  14.642
    4    HA   MET   1           HA       MET   1   8.823  -4.900  13.868
    5   1HB   MET   1          2HB       MET   1   8.009  -2.095  14.659
    6   2HB   MET   1          1HB       MET   1   7.032  -3.129  13.623
    7   1HG   MET   1          2HG       MET   1   6.237  -3.189  15.913
    8   2HG   MET   1          1HG       MET   1   6.841  -4.768  15.414
    9   1HE   MET   1          1HE       MET   1   6.294  -4.162  18.421
   10   2HE   MET   1          2HE       MET   1   7.756  -4.758  19.203
   11   3HE   MET   1          3HE       MET   1   7.028  -5.674  17.885
   12    H    THR   2           H        THR   2   8.003  -4.421  11.699
   13    HA   THR   2           HA       THR   2   9.675  -2.511  10.178
   14    HB   THR   2           HB       THR   2   9.611  -4.013   8.240
   15    HG1  THR   2           HG1      THR   2   8.048  -5.610   9.988
   16   1HG2  THR   2          1HG2      THR   2  11.512  -4.219   9.763
   17   2HG2  THR   2          2HG2      THR   2  11.097  -5.788   9.076
   18   3HG2  THR   2          3HG2      THR   2  10.627  -5.400  10.730
   19    H    LEU   3           H        LEU   3   8.622  -1.263   8.655
   20    HA   LEU   3           HA       LEU   3   5.670  -1.435   8.714
   21   1HB   LEU   3          2HB       LEU   3   7.022   0.480   9.938
   22   2HB   LEU   3          1HB       LEU   3   7.119   1.164   8.329
   23    HG   LEU   3           HG       LEU   3   4.549   0.517   9.795
   24   1HD1  LEU   3          1HD1      LEU   3   5.748   2.360  10.844
   25   2HD1  LEU   3          2HD1      LEU   3   4.298   2.935  10.023
   26   3HD1  LEU   3          3HD1      LEU   3   5.881   3.178   9.285
   27   1HD2  LEU   3          1HD2      LEU   3   5.005   1.969   7.185
   28   2HD2  LEU   3          2HD2      LEU   3   3.456   1.780   8.007
   29   3HD2  LEU   3          3HD2      LEU   3   4.294   0.365   7.373
   30    H    ILE   4           H        ILE   4   4.723  -1.708   6.788
   31    HA   ILE   4           HA       ILE   4   6.263  -1.240   4.331
   32    HB   ILE   4           HB       ILE   4   4.487  -2.515   3.179
   33   1HG1  ILE   4          2HG1      ILE   4   3.351  -2.906   5.970
   34   2HG1  ILE   4          1HG1      ILE   4   2.601  -1.983   4.672
   35   1HG2  ILE   4          1HG2      ILE   4   5.053  -4.713   4.124
   36   2HG2  ILE   4          2HG2      ILE   4   5.690  -3.925   5.567
   37   3HG2  ILE   4          3HG2      ILE   4   6.469  -3.667   4.006
   38   1HD1  ILE   4          1HD1      ILE   4   1.563  -4.159   4.913
   39   2HD1  ILE   4          2HD1      ILE   4   3.118  -4.949   4.657
   40   3HD1  ILE   4          3HD1      ILE   4   2.372  -4.026   3.353
   41    H    TYR   5           H        TYR   5   5.367  -0.074   2.539
   42    HA   TYR   5           HA       TYR   5   3.394   1.965   3.361
   43   1HB   TYR   5          2HB       TYR   5   6.074   2.407   2.029
   44   2HB   TYR   5          1HB       TYR   5   4.816   3.634   2.087
   45    HD1  TYR   5           HD2      TYR   5   7.213   1.686   4.130
   46    HD2  TYR   5           HD1      TYR   5   4.374   4.864   4.102
   47    HE1  TYR   5           HE2      TYR   5   8.032   2.442   6.327
   48    HE2  TYR   5           HE1      TYR   5   5.184   5.618   6.294
   49    HH   TYR   5           HH       TYR   5   8.072   4.465   7.696
   50    H    LYS   6           H        LYS   6   1.680   1.449   2.105
   51    HA   LYS   6           HA       LYS   6   2.022   0.819  -0.729
   52   1HB   LYS   6          2HB       LYS   6   0.416  -0.537   0.391
   53   2HB   LYS   6          1HB       LYS   6  -0.364   0.854   1.119
   54   1HG   LYS   6          2HG       LYS   6  -1.840   0.208  -0.550
   55   2HG   LYS   6          1HG       LYS   6  -0.963   1.542  -1.286
   56   1HD   LYS   6          2HD       LYS   6   0.401   0.020  -2.560
   57   2HD   LYS   6          1HD       LYS   6  -0.270  -1.373  -1.709
   58   1HE   LYS   6          2HE       LYS   6  -1.416  -1.334  -3.768
   59   2HE   LYS   6          1HE       LYS   6  -2.540  -0.618  -2.621
   60   1HZ   LYS   6          1HZ       LYS   6  -2.523   0.680  -4.618
   61   2HZ   LYS   6          2HZ       LYS   6  -0.840   0.854  -4.561
   62   3HZ   LYS   6          3HZ       LYS   6  -1.803   1.588  -3.385
   63    H    ILE   7           H        ILE   7   2.360   2.539  -2.017
   64    HA   ILE   7           HA       ILE   7   0.968   5.063  -1.567
   65    HB   ILE   7           HB       ILE   7   2.867   4.307  -3.809
   66   1HG1  ILE   7          2HG1      ILE   7   3.389   5.829  -1.235
   67   2HG1  ILE   7          1HG1      ILE   7   3.964   4.205  -1.600
   68   1HG2  ILE   7          1HG2      ILE   7   3.059   6.739  -4.159
   69   2HG2  ILE   7          2HG2      ILE   7   1.832   7.006  -2.919
   70   3HG2  ILE   7          3HG2      ILE   7   1.411   6.165  -4.411
   71   1HD1  ILE   7          1HD1      ILE   7   5.729   5.834  -1.878
   72   2HD1  ILE   7          2HD1      ILE   7   4.750   6.734  -3.036
   73   3HD1  ILE   7          3HD1      ILE   7   5.314   5.110  -3.431
   74    H    LEU   8           H        LEU   8  -0.733   5.822  -2.798
   75    HA   LEU   8           HA       LEU   8  -1.532   4.633  -5.277
   76   1HB   LEU   8          2HB       LEU   8  -3.544   3.537  -4.621
   77   2HB   LEU   8          1HB       LEU   8  -2.233   2.875  -3.666
   78    HG   LEU   8           HG       LEU   8  -4.296   4.868  -2.691
   79   1HD1  LEU   8          1HD1      LEU   8  -5.222   2.638  -3.049
   80   2HD1  LEU   8          2HD1      LEU   8  -5.125   3.016  -1.330
   81   3HD1  LEU   8          3HD1      LEU   8  -3.939   1.935  -2.063
   82   1HD2  LEU   8          1HD2      LEU   8  -2.137   5.184  -1.570
   83   2HD2  LEU   8          2HD2      LEU   8  -2.096   3.469  -1.159
   84   3HD2  LEU   8          3HD2      LEU   8  -3.341   4.512  -0.471
   85    H    SER   9           H        SER   9  -3.767   5.417  -5.960
   86    HA   SER   9           HA       SER   9  -3.987   8.250  -5.419
   87   1HB   SER   9          2HB       SER   9  -5.747   6.464  -7.131
   88   2HB   SER   9          1HB       SER   9  -5.749   8.227  -7.128
   89    HG   SER   9           HG       SER   9  -4.338   6.730  -8.673
   90    H    ARG  10           H        ARG  10  -5.775   9.313  -4.476
   91    HA   ARG  10           HA       ARG  10  -6.985   8.105  -2.269
   92   1HB   ARG  10          2HB       ARG  10  -6.701  10.589  -2.699
   93   2HB   ARG  10          1HB       ARG  10  -8.105  10.495  -3.751
   94   1HG   ARG  10          2HG       ARG  10  -8.793  11.321  -1.605
   95   2HG   ARG  10          1HG       ARG  10  -9.450   9.698  -1.822
   96   1HD   ARG  10          2HD       ARG  10  -7.701   8.768  -0.416
   97   2HD   ARG  10          1HD       ARG  10  -6.937  10.350  -0.271
   98    HE   ARG  10           HE       ARG  10  -9.569  10.556   0.646
   99   1HH1  ARG  10          1HH1      ARG  10  -6.641   8.980   1.542
  100   2HH1  ARG  10          2HH1      ARG  10  -7.006   9.015   3.231
  101   1HH2  ARG  10          1HH2      ARG  10 -10.010  10.628   2.821
  102   2HH2  ARG  10          2HH2      ARG  10  -8.862   9.984   3.946
  103    H    ALA  11           H        ALA  11  -8.195   8.501  -5.578
  104    HA   ALA  11           HA       ALA  11 -10.812   7.512  -5.110
  105   1HB   ALA  11          1HB       ALA  11 -10.959   7.268  -7.531
  106   2HB   ALA  11          2HB       ALA  11  -9.215   7.484  -7.671
  107   3HB   ALA  11          3HB       ALA  11 -10.223   8.814  -7.101
  108    H    GLU  12           H        GLU  12  -7.750   5.910  -5.479
  109    HA   GLU  12           HA       GLU  12  -8.845   3.289  -6.010
  110   1HB   GLU  12          2HB       GLU  12  -6.552   3.922  -6.713
  111   2HB   GLU  12          1HB       GLU  12  -6.090   4.106  -5.029
  112   1HG   GLU  12          2HG       GLU  12  -6.532   1.702  -4.671
  113   2HG   GLU  12          1HG       GLU  12  -6.919   1.541  -6.383
  114    H    TRP  13           H        TRP  13  -7.323   4.879  -3.231
  115    HA   TRP  13           HA       TRP  13  -7.751   2.837  -1.344
  116   1HB   TRP  13          2HB       TRP  13  -6.089   4.565  -0.996
  117   2HB   TRP  13          1HB       TRP  13  -7.327   5.812  -0.987
  118    HD1  TRP  13           HD1      TRP  13  -7.176   6.724   1.411
  119    HE1  TRP  13           HE1      TRP  13  -7.367   5.725   3.767
  120    HE3  TRP  13           HE3      TRP  13  -7.325   1.754   0.183
  121    HZ2  TRP  13           HZ2      TRP  13  -7.584   3.178   4.956
  122    HZ3  TRP  13           HZ3      TRP  13  -7.535   0.104   1.996
  123    HH2  TRP  13           HH2      TRP  13  -7.659   0.800   4.330
  124    H    ASP  14           H        ASP  14  -9.508   5.964  -1.600
  125    HA   ASP  14           HA       ASP  14 -11.430   5.330   0.331
  126   1HB   ASP  14          2HB       ASP  14 -11.331   7.391  -1.850
  127   2HB   ASP  14          1HB       ASP  14 -12.766   7.220  -0.842
  128    H    ALA  15           H        ALA  15 -11.396   4.556  -3.095
  129    HA   ALA  15           HA       ALA  15 -14.102   3.728  -3.289
  130   1HB   ALA  15          1HB       ALA  15 -12.674   4.050  -5.260
  131   2HB   ALA  15          2HB       ALA  15 -13.405   2.444  -5.237
  132   3HB   ALA  15          3HB       ALA  15 -11.711   2.649  -4.787
  133    H    ALA  16           H        ALA  16 -11.123   1.963  -2.443
  134    HA   ALA  16           HA       ALA  16 -12.443  -0.490  -1.779
  135   1HB   ALA  16          1HB       ALA  16  -9.741   0.508  -0.875
  136   2HB   ALA  16          2HB       ALA  16 -10.052  -0.361  -2.377
  137   3HB   ALA  16          3HB       ALA  16 -10.317  -1.158  -0.826
  138    H    LYS  17           H        LYS  17 -11.739   2.454  -0.068
  139    HA   LYS  17           HA       LYS  17 -12.143   1.582   2.592
  140   1HB   LYS  17          2HB       LYS  17 -11.045   3.711   1.932
  141   2HB   LYS  17          1HB       LYS  17 -12.601   4.323   1.393
  142   1HG   LYS  17          2HG       LYS  17 -13.447   4.205   3.690
  143   2HG   LYS  17          1HG       LYS  17 -11.885   3.583   4.232
  144   1HD   LYS  17          2HD       LYS  17 -12.335   6.270   2.911
  145   2HD   LYS  17          1HD       LYS  17 -12.126   6.008   4.641
  146   1HE   LYS  17          2HE       LYS  17  -9.877   5.215   4.303
  147   2HE   LYS  17          1HE       LYS  17 -10.079   5.263   2.553
  148   1HZ   LYS  17          1HZ       LYS  17 -10.326   7.687   4.232
  149   2HZ   LYS  17          2HZ       LYS  17 -10.099   7.592   2.553
  150   3HZ   LYS  17          3HZ       LYS  17  -8.842   7.174   3.607
  151    H    ALA  18           H        ALA  18 -14.341   3.018   0.188
  152    HA   ALA  18           HA       ALA  18 -16.716   2.845   1.704
  153   1HB   ALA  18          1HB       ALA  18 -17.884   3.017  -0.446
  154   2HB   ALA  18          2HB       ALA  18 -16.369   2.705  -1.295
  155   3HB   ALA  18          3HB       ALA  18 -16.557   4.175  -0.340
  156    H    GLN  19           H        GLN  19 -15.150   0.555  -0.509
  157    HA   GLN  19           HA       GLN  19 -17.014  -1.565  -0.258
  158   1HB   GLN  19          2HB       GLN  19 -14.048  -1.561  -0.873
  159   2HB   GLN  19          1HB       GLN  19 -15.043  -3.010  -0.944
  160   1HG   GLN  19          2HG       GLN  19 -16.393  -2.030  -2.686
  161   2HG   GLN  19          1HG       GLN  19 -15.479  -0.527  -2.596
  162   1HE2  GLN  19          1HE2      GLN  19 -13.390  -0.472  -3.462
  163   2HE2  GLN  19          2HE2      GLN  19 -12.796  -1.703  -4.519
  164    H    GLY  20           H        GLY  20 -14.514  -0.392   1.845
  165   1HA   GLY  20          2HA       GLY  20 -13.810  -1.072   3.932
  166   2HA   GLY  20          1HA       GLY  20 -15.090  -2.279   3.924
  167    H    ARG  21           H        ARG  21 -13.138  -2.435   1.150
  168    HA   ARG  21           HA       ARG  21 -11.314  -4.439   2.259
  169   1HB   ARG  21          2HB       ARG  21 -13.432  -5.639   1.878
  170   2HB   ARG  21          1HB       ARG  21 -13.458  -5.086   0.212
  171   1HG   ARG  21          2HG       ARG  21 -11.336  -6.370  -0.162
  172   2HG   ARG  21          1HG       ARG  21 -11.531  -7.037   1.463
  173   1HD   ARG  21          2HD       ARG  21 -13.819  -7.821   0.760
  174   2HD   ARG  21          1HD       ARG  21 -13.409  -7.336  -0.884
  175    HE   ARG  21           HE       ARG  21 -12.166  -9.520   0.639
  176   1HH1  ARG  21          1HH1      ARG  21 -12.635  -7.882  -2.368
  177   2HH1  ARG  21          2HH1      ARG  21 -12.048  -9.217  -3.300
  178   1HH2  ARG  21          1HH2      ARG  21 -11.459 -11.210  -0.562
  179   2HH2  ARG  21          2HH2      ARG  21 -11.386 -11.082  -2.285
  180    H    PHE  22           H        PHE  22  -9.403  -3.764   1.352
  181    HA   PHE  22           HA       PHE  22  -9.322  -2.789  -1.401
  182   1HB   PHE  22          2HB       PHE  22  -7.987  -1.655   0.384
  183   2HB   PHE  22          1HB       PHE  22  -7.034  -3.123   0.565
  184    HD1  PHE  22           HD1      PHE  22  -8.031  -0.580  -1.964
  185    HD2  PHE  22           HD2      PHE  22  -5.086  -3.405  -0.735
  186    HE1  PHE  22           HE1      PHE  22  -6.533   0.203  -3.743
  187    HE2  PHE  22           HE2      PHE  22  -3.595  -2.624  -2.515
  188    HZ   PHE  22           HZ       PHE  22  -4.317  -0.820  -4.023
  189    H    GLU  23           H        GLU  23  -9.306  -4.287  -2.962
  190    HA   GLU  23           HA       GLU  23  -8.071  -6.902  -2.487
  191   1HB   GLU  23          2HB       GLU  23 -10.372  -6.768  -3.404
  192   2HB   GLU  23          1HB       GLU  23  -9.747  -5.927  -4.814
  193   1HG   GLU  23          2HG       GLU  23  -8.518  -7.870  -5.507
  194   2HG   GLU  23          1HG       GLU  23  -8.923  -8.714  -4.014
  195    H    GLY  24           H        GLY  24  -7.190  -3.945  -3.766
  196   1HA   GLY  24          2HA       GLY  24  -4.872  -3.676  -4.466
  197   2HA   GLY  24          1HA       GLY  24  -5.020  -5.181  -5.359
  198    H    SER  25           H        SER  25  -4.014  -3.393  -6.884
  199    HA   SER  25           HA       SER  25  -6.192  -2.100  -8.403
  200   1HB   SER  25          2HB       SER  25  -4.533  -0.688  -9.411
  201   2HB   SER  25          1HB       SER  25  -4.186  -0.716  -7.684
  202    HG   SER  25           HG       SER  25  -2.483  -2.098  -8.051
  203    H    ALA  26           H        ALA  26  -5.267  -1.990 -10.931
  204    HA   ALA  26           HA       ALA  26  -5.883  -4.439 -12.055
  205   1HB   ALA  26          1HB       ALA  26  -5.041  -3.560 -14.156
  206   2HB   ALA  26          2HB       ALA  26  -4.124  -2.319 -13.300
  207   3HB   ALA  26          3HB       ALA  26  -5.887  -2.289 -13.272
  208    H    VAL  27           H        VAL  27  -2.648  -3.150 -11.325
  209    HA   VAL  27           HA       VAL  27  -1.222  -5.317 -12.480
  210    HB   VAL  27           HB       VAL  27  -0.175  -3.132 -12.139
  211   1HG1  VAL  27          1HG1      VAL  27   0.588  -2.434  -9.902
  212   2HG1  VAL  27          2HG1      VAL  27  -0.310  -3.775  -9.192
  213   3HG1  VAL  27          3HG1      VAL  27  -1.172  -2.484 -10.029
  214   1HG2  VAL  27          1HG2      VAL  27   1.993  -3.916 -11.272
  215   2HG2  VAL  27          2HG2      VAL  27   1.264  -5.080 -12.377
  216   3HG2  VAL  27          3HG2      VAL  27   1.206  -5.363 -10.638
  217    H    ASP  28           H        ASP  28  -2.276  -4.667  -9.128
  218    HA   ASP  28           HA       ASP  28  -1.001  -6.860  -7.912
  219   1HB   ASP  28          2HB       ASP  28  -3.620  -5.536  -7.157
  220   2HB   ASP  28          1HB       ASP  28  -2.692  -6.616  -6.119
  221    H    LEU  29           H        LEU  29  -4.277  -6.604  -9.309
  222    HA   LEU  29           HA       LEU  29  -4.991  -9.315  -8.938
  223   1HB   LEU  29          2HB       LEU  29  -5.965  -7.154 -10.786
  224   2HB   LEU  29          1HB       LEU  29  -6.558  -8.794 -10.960
  225    HG   LEU  29           HG       LEU  29  -8.121  -7.462  -9.662
  226   1HD1  LEU  29          1HD1      LEU  29  -6.687  -9.477  -7.933
  227   2HD1  LEU  29          2HD1      LEU  29  -7.927  -9.835  -9.138
  228   3HD1  LEU  29          3HD1      LEU  29  -8.337  -8.894  -7.704
  229   1HD2  LEU  29          1HD2      LEU  29  -7.527  -6.574  -7.450
  230   2HD2  LEU  29          2HD2      LEU  29  -6.601  -5.803  -8.738
  231   3HD2  LEU  29          3HD2      LEU  29  -5.844  -7.030  -7.723
  232    H    ALA  30           H        ALA  30  -3.222  -7.678 -11.524
  233    HA   ALA  30           HA       ALA  30  -3.103  -9.804 -13.366
  234   1HB   ALA  30          1HB       ALA  30  -1.038  -7.657 -12.861
  235   2HB   ALA  30          2HB       ALA  30  -2.432  -7.517 -13.931
  236   3HB   ALA  30          3HB       ALA  30  -1.149  -8.669 -14.300
  237    H    ASP  31           H        ASP  31  -0.899  -8.946 -10.689
  238    HA   ASP  31           HA       ASP  31   0.772 -11.233 -10.975
  239   1HB   ASP  31          2HB       ASP  31   0.271  -9.341  -8.670
  240   2HB   ASP  31          1HB       ASP  31   1.415 -10.676  -8.567
  241    H    GLY  32           H        GLY  32  -2.241 -10.638  -9.278
  242   1HA   GLY  32          2HA       GLY  32  -3.767 -12.448  -8.839
  243   2HA   GLY  32          1HA       GLY  32  -2.389 -13.513  -8.606
  244    H    PHE  33           H        PHE  33  -1.328 -10.968  -7.062
  245    HA   PHE  33           HA       PHE  33  -2.903 -11.062  -4.641
  246   1HB   PHE  33          2HB       PHE  33  -0.796 -11.687  -3.277
  247   2HB   PHE  33          1HB       PHE  33  -1.670 -12.980  -4.087
  248    HD1  PHE  33           HD2      PHE  33   1.366 -10.881  -4.208
  249    HD2  PHE  33           HD1      PHE  33  -0.666 -14.263  -5.815
  250    HE1  PHE  33           HE2      PHE  33   3.428 -11.585  -5.345
  251    HE2  PHE  33           HE1      PHE  33   1.396 -14.966  -6.950
  252    HZ   PHE  33           HZ       PHE  33   3.447 -13.627  -6.713
  253    H    ILE  34           H        ILE  34  -2.151  -9.506  -3.023
  254    HA   ILE  34           HA       ILE  34  -1.538  -7.060  -4.378
  255    HB   ILE  34           HB       ILE  34  -1.869  -7.501  -1.399
  256   1HG1  ILE  34          2HG1      ILE  34  -3.940  -6.764  -3.496
  257   2HG1  ILE  34          1HG1      ILE  34  -3.824  -8.317  -2.673
  258   1HG2  ILE  34          1HG2      ILE  34  -2.178  -4.992  -3.064
  259   2HG2  ILE  34          2HG2      ILE  34  -0.820  -5.356  -2.000
  260   3HG2  ILE  34          3HG2      ILE  34  -2.433  -5.127  -1.323
  261   1HD1  ILE  34          1HD1      ILE  34  -4.275  -7.190  -0.537
  262   2HD1  ILE  34          2HD1      ILE  34  -5.579  -6.985  -1.705
  263   3HD1  ILE  34          3HD1      ILE  34  -4.454  -5.662  -1.399
  264    H    HIS  35           H        HIS  35   0.229  -5.757  -4.255
  265    HA   HIS  35           HA       HIS  35   2.512  -6.608  -2.596
  266   1HB   HIS  35          2HB       HIS  35   3.950  -5.796  -4.631
  267   2HB   HIS  35          1HB       HIS  35   3.263  -7.416  -4.643
  268    HD1  HIS  35           HD1      HIS  35   2.519  -3.968  -6.051
  269    HD2  HIS  35           HD2      HIS  35   1.708  -7.970  -6.799
  270    HE1  HIS  35           HE1      HIS  35   1.370  -4.017  -8.279
  271    HE2  HIS  35           HE2      HIS  35   1.079  -6.460  -8.796
  272    H    LEU  36           H        LEU  36   2.562  -5.000  -1.136
  273    HA   LEU  36           HA       LEU  36   1.678  -2.333  -1.815
  274   1HB   LEU  36          2HB       LEU  36   2.677  -3.452   0.808
  275   2HB   LEU  36          1HB       LEU  36   1.992  -1.853   0.593
  276    HG   LEU  36           HG       LEU  36  -0.128  -3.069  -0.233
  277   1HD1  LEU  36          1HD1      LEU  36  -0.452  -5.332   0.651
  278   2HD1  LEU  36          2HD1      LEU  36   1.236  -5.372   1.164
  279   3HD1  LEU  36          3HD1      LEU  36   0.837  -5.277  -0.552
  280   1HD2  LEU  36          1HD2      LEU  36   0.700  -3.322   2.662
  281   2HD2  LEU  36          2HD2      LEU  36  -0.953  -3.355   2.048
  282   3HD2  LEU  36          3HD2      LEU  36   0.010  -1.887   1.903
  283    H    SER  37           H        SER  37   4.748  -3.884  -1.171
  284    HA   SER  37           HA       SER  37   6.914  -3.181  -1.319
  285   1HB   SER  37          2HB       SER  37   5.798  -0.531  -2.299
  286   2HB   SER  37          1HB       SER  37   7.490  -1.021  -2.355
  287    HG   SER  37           HG       SER  37   5.473  -1.604  -4.061
  288    H    ALA  38           H        ALA  38   8.484  -1.601  -0.257
  289    HA   ALA  38           HA       ALA  38   7.312  -0.191   2.035
  290   1HB   ALA  38          1HB       ALA  38   8.741  -1.326   3.644
  291   2HB   ALA  38          2HB       ALA  38   9.396  -2.348   2.363
  292   3HB   ALA  38          3HB       ALA  38   7.697  -2.478   2.814
  293    H    GLY  39           H        GLY  39   8.279   1.673   2.429
  294   1HA   GLY  39          2HA       GLY  39   9.797   3.395   2.435
  295   2HA   GLY  39          1HA       GLY  39  10.897   2.147   2.982
  296    H    GLU  40           H        GLU  40  12.557   1.570   1.719
  297    HA   GLU  40           HA       GLU  40  13.606   3.226  -0.201
  298   1HB   GLU  40          2HB       GLU  40  14.729   1.336   1.088
  299   2HB   GLU  40          1HB       GLU  40  14.094   0.242  -0.130
  300   1HG   GLU  40          2HG       GLU  40  16.324   0.689  -0.735
  301   2HG   GLU  40          1HG       GLU  40  15.318   1.615  -1.849
  302    H    GLN  41           H        GLN  41  11.704   0.284  -0.737
  303    HA   GLN  41           HA       GLN  41  11.874   0.289  -3.575
  304   1HB   GLN  41          2HB       GLN  41   9.775  -0.992  -1.803
  305   2HB   GLN  41          1HB       GLN  41  10.121  -1.414  -3.476
  306   1HG   GLN  41          2HG       GLN  41  12.328  -2.207  -2.853
  307   2HG   GLN  41          1HG       GLN  41  12.058  -1.712  -1.183
  308   1HE2  GLN  41          1HE2      GLN  41  12.665  -4.344  -2.243
  309   2HE2  GLN  41          2HE2      GLN  41  11.369  -5.376  -1.758
  310    H    ALA  42           H        ALA  42   9.544   1.625  -1.289
  311    HA   ALA  42           HA       ALA  42   7.538   2.285  -3.194
  312   1HB   ALA  42          1HB       ALA  42   7.043   2.007  -0.817
  313   2HB   ALA  42          2HB       ALA  42   6.535   3.596  -1.390
  314   3HB   ALA  42          3HB       ALA  42   8.014   3.432  -0.440
  315    H    GLN  43           H        GLN  43  10.077   4.236  -1.614
  316    HA   GLN  43           HA       GLN  43   9.429   6.683  -2.854
  317   1HB   GLN  43          2HB       GLN  43  10.791   6.723  -0.901
  318   2HB   GLN  43          1HB       GLN  43  11.987   5.654  -1.624
  319   1HG   GLN  43          2HG       GLN  43  12.751   7.366  -3.094
  320   2HG   GLN  43          1HG       GLN  43  11.404   8.420  -2.666
  321   1HE2  GLN  43          1HE2      GLN  43  11.502   9.607  -0.797
  322   2HE2  GLN  43          2HE2      GLN  43  12.932   9.727   0.165
  323    H    GLU  44           H        GLU  44  11.642   4.095  -3.863
  324    HA   GLU  44           HA       GLU  44  12.703   5.421  -6.125
  325   1HB   GLU  44          2HB       GLU  44  13.625   3.324  -5.083
  326   2HB   GLU  44          1HB       GLU  44  12.288   2.440  -5.804
  327   1HG   GLU  44          2HG       GLU  44  14.198   2.143  -7.192
  328   2HG   GLU  44          1HG       GLU  44  13.073   3.195  -8.047
  329    H    THR  45           H        THR  45  10.069   3.019  -5.878
  330    HA   THR  45           HA       THR  45   9.185   3.135  -8.535
  331    HB   THR  45           HB       THR  45   7.501   2.628  -6.064
  332    HG1  THR  45           HG1      THR  45   8.759   0.921  -5.979
  333   1HG2  THR  45          1HG2      THR  45   7.021   1.869  -8.958
  334   2HG2  THR  45          2HG2      THR  45   6.108   3.061  -8.033
  335   3HG2  THR  45          3HG2      THR  45   6.035   1.357  -7.587
  336    H    ALA  46           H        ALA  46   8.458   5.224  -5.790
  337    HA   ALA  46           HA       ALA  46   6.390   6.748  -6.922
  338   1HB   ALA  46          1HB       ALA  46   6.975   8.458  -5.281
  339   2HB   ALA  46          2HB       ALA  46   8.513   7.650  -4.971
  340   3HB   ALA  46          3HB       ALA  46   6.997   6.855  -4.549
  341    H    ALA  47           H        ALA  47   9.917   7.275  -6.971
  342    HA   ALA  47           HA       ALA  47   9.895   9.661  -8.459
  343   1HB   ALA  47          1HB       ALA  47  11.827   8.851  -7.157
  344   2HB   ALA  47          2HB       ALA  47  12.265   9.277  -8.811
  345   3HB   ALA  47          3HB       ALA  47  12.085   7.582  -8.353
  346    H    LYS  48           H        LYS  48  10.090   6.279  -9.526
  347    HA   LYS  48           HA       LYS  48  10.333   6.875 -12.299
  348   1HB   LYS  48          2HB       LYS  48   9.598   4.418 -10.728
  349   2HB   LYS  48          1HB       LYS  48   9.489   4.426 -12.476
  350   1HG   LYS  48          2HG       LYS  48  12.003   5.030 -10.929
  351   2HG   LYS  48          1HG       LYS  48  11.590   3.450 -11.599
  352   1HD   LYS  48          2HD       LYS  48  11.474   4.512 -13.861
  353   2HD   LYS  48          1HD       LYS  48  12.057   6.013 -13.138
  354   1HE   LYS  48          2HE       LYS  48  13.529   3.371 -13.135
  355   2HE   LYS  48          1HE       LYS  48  13.868   4.731 -14.204
  356   1HZ   LYS  48          1HZ       LYS  48  14.455   6.066 -12.305
  357   2HZ   LYS  48          2HZ       LYS  48  15.371   4.644 -12.297
  358   3HZ   LYS  48          3HZ       LYS  48  14.060   4.809 -11.244
  359    H    TRP  49           H        TRP  49   7.557   6.160 -10.204
  360    HA   TRP  49           HA       TRP  49   5.764   6.422 -12.530
  361   1HB   TRP  49          2HB       TRP  49   5.406   4.947  -9.917
  362   2HB   TRP  49          1HB       TRP  49   4.117   5.163 -11.095
  363    HD1  TRP  49           HD1      TRP  49   7.610   3.497 -10.845
  364    HE1  TRP  49           HE1      TRP  49   7.638   1.479 -12.441
  365    HE3  TRP  49           HE3      TRP  49   3.007   4.087 -12.984
  366    HZ2  TRP  49           HZ2      TRP  49   5.932   0.286 -14.350
  367    HZ3  TRP  49           HZ3      TRP  49   2.275   2.464 -14.681
  368    HH2  TRP  49           HH2      TRP  49   3.708   0.602 -15.350
  369    H    PHE  50           H        PHE  50   5.620   7.072  -8.993
  370    HA   PHE  50           HA       PHE  50   3.107   8.424  -9.364
  371   1HB   PHE  50          2HB       PHE  50   4.762   7.951  -6.879
  372   2HB   PHE  50          1HB       PHE  50   3.158   8.677  -6.880
  373    HD1  PHE  50           HD2      PHE  50   1.182   7.335  -7.500
  374    HD2  PHE  50           HD1      PHE  50   5.052   5.580  -7.149
  375    HE1  PHE  50           HE2      PHE  50   0.160   5.097  -7.389
  376    HE2  PHE  50           HE1      PHE  50   4.034   3.347  -7.039
  377    HZ   PHE  50           HZ       PHE  50   1.586   3.101  -7.156
  378    H    ARG  51           H        ARG  51   6.233   9.580  -9.616
  379    HA   ARG  51           HA       ARG  51   6.172  11.922  -8.069
  380   1HB   ARG  51          2HB       ARG  51   8.202  12.494  -9.043
  381   2HB   ARG  51          1HB       ARG  51   8.176  10.745  -9.177
  382   1HG   ARG  51          2HG       ARG  51   7.539  12.695 -11.390
  383   2HG   ARG  51          1HG       ARG  51   9.045  11.805 -11.197
  384   1HD   ARG  51          2HD       ARG  51   7.816   9.687 -11.487
  385   2HD   ARG  51          1HD       ARG  51   6.318  10.596 -11.705
  386    HE   ARG  51           HE       ARG  51   8.552  11.156 -13.507
  387   1HH1  ARG  51          1HH1      ARG  51   5.468   9.682 -13.058
  388   2HH1  ARG  51          2HH1      ARG  51   5.126   9.652 -14.753
  389   1HH2  ARG  51          1HH2      ARG  51   8.102  11.098 -15.653
  390   2HH2  ARG  51          2HH2      ARG  51   6.598  10.437 -16.198
  391    H    GLY  52           H        GLY  52   4.074  11.398 -10.528
  392   1HA   GLY  52          2HA       GLY  52   3.693  14.267 -10.967
  393   2HA   GLY  52          1HA       GLY  52   3.978  13.285 -12.394
  394    H    GLN  53           H        GLN  53   2.065  12.422  -9.524
  395    HA   GLN  53           HA       GLN  53  -0.362  12.452 -11.214
  396   1HB   GLN  53          2HB       GLN  53   0.594  10.347  -9.296
  397   2HB   GLN  53          1HB       GLN  53  -1.128  10.562  -9.560
  398   1HG   GLN  53          2HG       GLN  53  -0.388   8.812 -10.978
  399   2HG   GLN  53          1HG       GLN  53  -0.748  10.206 -11.991
  400   1HE2  GLN  53          1HE2      GLN  53   2.156   9.966 -10.083
  401   2HE2  GLN  53          2HE2      GLN  53   3.239   9.764 -11.411
  402    H    ALA  54           H        ALA  54  -2.401  12.270  -9.732
  403    HA   ALA  54           HA       ALA  54  -2.145  14.311  -7.606
  404   1HB   ALA  54          1HB       ALA  54  -4.433  14.971  -8.130
  405   2HB   ALA  54          2HB       ALA  54  -4.528  13.713  -9.363
  406   3HB   ALA  54          3HB       ALA  54  -3.410  15.061  -9.563
  407    H    ASN  55           H        ASN  55  -3.683  14.200  -5.822
  408    HA   ASN  55           HA       ASN  55  -4.784  13.183  -4.108
  409   1HB   ASN  55          2HB       ASN  55  -5.684  11.347  -6.340
  410   2HB   ASN  55          1HB       ASN  55  -6.362  11.328  -4.717
  411   1HD2  ASN  55          1HD2      ASN  55  -6.293  14.192  -4.360
  412   2HD2  ASN  55          2HD2      ASN  55  -7.540  14.830  -5.371
  413    H    LEU  56           H        LEU  56  -2.051  12.431  -4.442
  414    HA   LEU  56           HA       LEU  56  -1.778   9.585  -4.226
  415   1HB   LEU  56          2HB       LEU  56   0.191  11.801  -3.636
  416   2HB   LEU  56          1HB       LEU  56   0.591  10.093  -3.658
  417    HG   LEU  56           HG       LEU  56  -0.358  11.722  -6.025
  418   1HD1  LEU  56          1HD1      LEU  56   1.883  11.340  -6.908
  419   2HD1  LEU  56          2HD1      LEU  56   2.332  10.488  -5.431
  420   3HD1  LEU  56          3HD1      LEU  56   1.947  12.208  -5.374
  421   1HD2  LEU  56          1HD2      LEU  56   0.032   9.711  -7.352
  422   2HD2  LEU  56          2HD2      LEU  56  -1.192   9.415  -6.118
  423   3HD2  LEU  56          3HD2      LEU  56   0.449   8.812  -5.892
  424    H    VAL  57           H        VAL  57  -1.873   8.323  -2.492
  425    HA   VAL  57           HA       VAL  57  -1.879   9.526   0.210
  426    HB   VAL  57           HB       VAL  57  -3.492   7.135  -0.735
  427   1HG1  VAL  57          1HG1      VAL  57  -3.482   8.524   1.953
  428   2HG1  VAL  57          2HG1      VAL  57  -2.809   6.930   1.613
  429   3HG1  VAL  57          3HG1      VAL  57  -4.546   7.200   1.473
  430   1HG2  VAL  57          1HG2      VAL  57  -4.405   9.914   0.014
  431   2HG2  VAL  57          2HG2      VAL  57  -5.454   8.560  -0.407
  432   3HG2  VAL  57          3HG2      VAL  57  -4.365   9.241  -1.616
  433    H    LEU  58           H        LEU  58  -0.845   8.388   1.850
  434    HA   LEU  58           HA       LEU  58   0.894   6.159   0.979
  435   1HB   LEU  58          2HB       LEU  58   2.075   8.269   1.528
  436   2HB   LEU  58          1HB       LEU  58   1.395   8.214   3.144
  437    HG   LEU  58           HG       LEU  58   2.623   6.073   3.541
  438   1HD1  LEU  58          1HD1      LEU  58   4.447   5.472   1.996
  439   2HD1  LEU  58          2HD1      LEU  58   3.861   6.686   0.857
  440   3HD1  LEU  58          3HD1      LEU  58   2.851   5.298   1.265
  441   1HD2  LEU  58          1HD2      LEU  58   4.828   7.101   3.811
  442   2HD2  LEU  58          2HD2      LEU  58   3.545   8.205   4.306
  443   3HD2  LEU  58          3HD2      LEU  58   4.349   8.428   2.751
  444    H    LEU  59           H        LEU  59  -0.165   4.343   1.664
  445    HA   LEU  59           HA       LEU  59  -1.481   4.261   4.251
  446   1HB   LEU  59          2HB       LEU  59  -1.075   2.101   2.182
  447   2HB   LEU  59          1HB       LEU  59  -2.037   1.926   3.635
  448    HG   LEU  59           HG       LEU  59  -2.618   3.812   1.342
  449   1HD1  LEU  59          1HD1      LEU  59  -4.051   1.314   2.247
  450   2HD1  LEU  59          2HD1      LEU  59  -3.030   1.453   0.817
  451   3HD1  LEU  59          3HD1      LEU  59  -4.530   2.372   0.919
  452   1HD2  LEU  59          1HD2      LEU  59  -4.715   4.276   2.520
  453   2HD2  LEU  59          2HD2      LEU  59  -3.315   4.771   3.472
  454   3HD2  LEU  59          3HD2      LEU  59  -4.175   3.284   3.876
  455    H    ALA  60           H        ALA  60  -0.432   3.844   6.067
  456    HA   ALA  60           HA       ALA  60   2.111   2.360   6.002
  457   1HB   ALA  60          1HB       ALA  60   0.962   4.162   8.142
  458   2HB   ALA  60          2HB       ALA  60   2.215   4.596   6.978
  459   3HB   ALA  60          3HB       ALA  60   2.535   3.367   8.203
  460    H    VAL  61           H        VAL  61   1.982   0.244   6.519
  461    HA   VAL  61           HA       VAL  61   0.047  -0.591   8.603
  462    HB   VAL  61           HB       VAL  61   0.820  -2.205   6.155
  463   1HG1  VAL  61          1HG1      VAL  61  -0.945  -3.756   6.887
  464   2HG1  VAL  61          2HG1      VAL  61  -1.181  -2.791   8.345
  465   3HG1  VAL  61          3HG1      VAL  61   0.350  -3.626   8.076
  466   1HG2  VAL  61          1HG2      VAL  61  -0.622  -0.328   5.544
  467   2HG2  VAL  61          2HG2      VAL  61  -1.783  -0.798   6.786
  468   3HG2  VAL  61          3HG2      VAL  61  -1.493  -1.856   5.404
  469    H    GLU  62           H        GLU  62   0.803  -1.909  10.197
  470    HA   GLU  62           HA       GLU  62   3.638  -2.416  10.392
  471   1HB   GLU  62          2HB       GLU  62   1.390  -3.330  12.214
  472   2HB   GLU  62          1HB       GLU  62   3.107  -3.357  12.595
  473   1HG   GLU  62          2HG       GLU  62   3.176  -0.907  12.456
  474   2HG   GLU  62          1HG       GLU  62   1.454  -0.881  12.086
  475    H    ALA  63           H        ALA  63   4.721  -4.304  10.006
  476    HA   ALA  63           HA       ALA  63   3.308  -6.271   8.412
  477   1HB   ALA  63          1HB       ALA  63   5.450  -5.347   7.674
  478   2HB   ALA  63          2HB       ALA  63   5.517  -7.103   7.834
  479   3HB   ALA  63          3HB       ALA  63   6.245  -6.077   9.071
  480    H    GLU  64           H        GLU  64   4.655  -6.189  11.639
  481    HA   GLU  64           HA       GLU  64   5.158  -8.945  11.958
  482   1HB   GLU  64          2HB       GLU  64   4.675  -6.750  13.961
  483   2HB   GLU  64          1HB       GLU  64   5.026  -8.402  14.450
  484   1HG   GLU  64          2HG       GLU  64   7.008  -6.937  14.461
  485   2HG   GLU  64          1HG       GLU  64   7.179  -8.325  13.389
  486    HA   PRO  65           HA       PRO  65   0.766  -9.033  14.334
  487   1HB   PRO  65          2HB       PRO  65  -1.089  -7.722  12.649
  488   2HB   PRO  65          1HB       PRO  65  -0.538  -7.186  14.237
  489   1HG   PRO  65          2HG       PRO  65   0.402  -6.369  11.528
  490   2HG   PRO  65          1HG       PRO  65   0.247  -5.400  13.006
  491   1HD   PRO  65          2HD       PRO  65   2.642  -6.214  12.149
  492   2HD   PRO  65          1HD       PRO  65   2.261  -6.200  13.884
  493    H    LEU  66           H        LEU  66   0.072  -8.554  10.837
  494    HA   LEU  66           HA       LEU  66  -1.380 -10.941  10.581
  495   1HB   LEU  66          2HB       LEU  66  -1.365 -10.601   8.206
  496   2HB   LEU  66          1HB       LEU  66  -1.589  -9.064   9.012
  497    HG   LEU  66           HG       LEU  66   1.065  -9.973   7.876
  498   1HD1  LEU  66          1HD1      LEU  66  -1.008  -8.166   6.629
  499   2HD1  LEU  66          2HD1      LEU  66  -0.585  -9.789   6.086
  500   3HD1  LEU  66          3HD1      LEU  66   0.604  -8.491   5.991
  501   1HD2  LEU  66          1HD2      LEU  66   1.567  -7.528   7.971
  502   2HD2  LEU  66          2HD2      LEU  66   1.368  -8.285   9.547
  503   3HD2  LEU  66          3HD2      LEU  66   0.065  -7.304   8.872
  504    H    GLY  67           H        GLY  67   2.058 -10.389  10.303
  505   1HA   GLY  67          2HA       GLY  67   3.812 -11.860  10.271
  506   2HA   GLY  67          1HA       GLY  67   2.680 -13.044  10.892
  507    H    GLU  68           H        GLU  68   2.092 -14.717   9.598
  508    HA   GLU  68           HA       GLU  68   3.865 -15.398   7.538
  509   1HB   GLU  68          2HB       GLU  68   1.219 -16.660   8.281
  510   2HB   GLU  68          1HB       GLU  68   2.375 -17.373   7.168
  511   1HG   GLU  68          2HG       GLU  68   2.638 -18.445   9.267
  512   2HG   GLU  68          1HG       GLU  68   4.041 -17.405   9.027
  513    H    ASP  69           H        ASP  69   0.755 -13.829   7.336
  514    HA   ASP  69           HA       ASP  69   0.231 -14.569   4.624
  515   1HB   ASP  69          2HB       ASP  69  -0.980 -12.417   6.366
  516   2HB   ASP  69          1HB       ASP  69  -1.579 -12.859   4.768
  517    H    LEU  70           H        LEU  70   2.425 -12.394   5.916
  518    HA   LEU  70           HA       LEU  70   2.638 -10.991   3.319
  519   1HB   LEU  70          2HB       LEU  70   2.067  -9.474   5.188
  520   2HB   LEU  70          1HB       LEU  70   3.504  -9.999   6.046
  521    HG   LEU  70           HG       LEU  70   4.912  -9.045   4.236
  522   1HD1  LEU  70          1HD1      LEU  70   3.899  -7.559   2.574
  523   2HD1  LEU  70          2HD1      LEU  70   2.292  -8.014   3.141
  524   3HD1  LEU  70          3HD1      LEU  70   3.337  -9.219   2.388
  525   1HD2  LEU  70          1HD2      LEU  70   4.534  -6.691   4.803
  526   2HD2  LEU  70          2HD2      LEU  70   4.430  -7.726   6.228
  527   3HD2  LEU  70          3HD2      LEU  70   2.958  -7.105   5.480
  528    H    LYS  71           H        LYS  71   4.354 -11.673   2.170
  529    HA   LYS  71           HA       LYS  71   6.784 -12.513   3.616
  530   1HB   LYS  71          2HB       LYS  71   5.507 -14.530   3.026
  531   2HB   LYS  71          1HB       LYS  71   5.498 -14.040   1.339
  532   1HG   LYS  71          2HG       LYS  71   7.863 -14.339   1.159
  533   2HG   LYS  71          1HG       LYS  71   8.019 -14.581   2.899
  534   1HD   LYS  71          2HD       LYS  71   8.140 -16.700   1.652
  535   2HD   LYS  71          1HD       LYS  71   6.761 -16.658   2.752
  536   1HE   LYS  71          2HE       LYS  71   5.249 -16.228   0.936
  537   2HE   LYS  71          1HE       LYS  71   6.586 -16.016  -0.192
  538   1HZ   LYS  71          1HZ       LYS  71   5.852 -18.539   1.182
  539   2HZ   LYS  71          2HZ       LYS  71   7.173 -18.348   0.151
  540   3HZ   LYS  71          3HZ       LYS  71   5.600 -18.188  -0.451
  541    H    TRP  72           H        TRP  72   8.659 -11.823   2.790
  542    HA   TRP  72           HA       TRP  72   8.649 -10.062   0.491
  543   1HB   TRP  72          2HB       TRP  72  10.920 -10.958   2.292
  544   2HB   TRP  72          1HB       TRP  72  11.049  -9.721   1.048
  545    HD1  TRP  72           HD1      TRP  72   8.946 -10.317   4.271
  546    HE1  TRP  72           HE1      TRP  72   8.621  -8.042   5.432
  547    HE3  TRP  72           HE3      TRP  72  11.273  -7.321   0.843
  548    HZ2  TRP  72           HZ2      TRP  72   9.260  -5.336   4.953
  549    HZ3  TRP  72           HZ3      TRP  72  11.372  -4.897   1.270
  550    HH2  TRP  72           HH2      TRP  72  10.385  -3.927   3.283
  551    H    GLU  73           H        GLU  73   8.187 -11.453  -1.245
  552    HA   GLU  73           HA       GLU  73   9.685 -13.854  -1.718
  553   1HB   GLU  73          2HB       GLU  73   7.651 -12.320  -3.323
  554   2HB   GLU  73          1HB       GLU  73   8.473 -13.726  -3.986
  555   1HG   GLU  73          2HG       GLU  73   6.951 -13.816  -1.391
  556   2HG   GLU  73          1HG       GLU  73   6.193 -14.112  -2.956
  557    H    ALA  74           H        ALA  74  11.565 -14.102  -2.732
  558    HA   ALA  74           HA       ALA  74  13.032 -11.887  -3.758
  559   1HB   ALA  74          1HB       ALA  74  13.608 -14.844  -4.003
  560   2HB   ALA  74          2HB       ALA  74  14.130 -13.791  -2.688
  561   3HB   ALA  74          3HB       ALA  74  14.747 -13.534  -4.319
  562    H    SER  75           H        SER  75  13.124 -11.077  -5.755
  563    HA   SER  75           HA       SER  75  11.337 -12.002  -7.793
  564   1HB   SER  75          2HB       SER  75  12.204 -10.104  -9.108
  565   2HB   SER  75          1HB       SER  75  11.792  -9.609  -7.466
  566    HG   SER  75           HG       SER  75  13.802  -9.112  -7.129
  567    H    ARG  76           H        ARG  76  12.217 -12.000 -10.148
  568    HA   ARG  76           HA       ARG  76  13.937 -14.214 -10.518
  569   1HB   ARG  76          2HB       ARG  76  12.149 -13.501 -12.096
  570   2HB   ARG  76          1HB       ARG  76  13.118 -12.099 -12.527
  571   1HG   ARG  76          2HG       ARG  76  14.885 -13.620 -13.359
  572   2HG   ARG  76          1HG       ARG  76  13.830 -14.991 -13.001
  573   1HD   ARG  76          2HD       ARG  76  12.142 -14.074 -14.540
  574   2HD   ARG  76          1HD       ARG  76  13.230 -12.738 -14.919
  575    HE   ARG  76           HE       ARG  76  14.092 -15.494 -15.423
  576   1HH1  ARG  76          1HH1      ARG  76  13.284 -12.360 -16.596
  577   2HH1  ARG  76          2HH1      ARG  76  13.799 -12.715 -18.209
  578   1HH2  ARG  76          1HH2      ARG  76  14.750 -15.934 -17.507
  579   2HH2  ARG  76          2HH2      ARG  76  14.608 -14.707 -18.716
  580    H    GLY  77           H        GLY  77  14.492 -10.752 -10.460
  581   1HA   GLY  77          2HA       GLY  77  17.208 -10.900 -11.421
  582   2HA   GLY  77          1HA       GLY  77  16.423  -9.498 -10.712
  583    H    GLY  78           H        GLY  78  15.677 -10.591  -8.220
  584   1HA   GLY  78          2HA       GLY  78  17.277 -12.098  -6.706
  585   2HA   GLY  78          1HA       GLY  78  18.287 -10.676  -6.900
  586    H    ALA  79           H        ALA  79  16.478  -8.624  -6.686
  587    HA   ALA  79           HA       ALA  79  16.282  -8.299  -3.918
  588   1HB   ALA  79          1HB       ALA  79  14.794  -6.772  -6.058
  589   2HB   ALA  79          2HB       ALA  79  16.435  -6.438  -5.506
  590   3HB   ALA  79          3HB       ALA  79  15.077  -6.237  -4.399
  591    H    ARG  80           H        ARG  80  14.611  -8.384  -2.448
  592    HA   ARG  80           HA       ARG  80  12.409 -10.170  -3.117
  593   1HB   ARG  80          2HB       ARG  80  13.299  -8.958  -0.491
  594   2HB   ARG  80          1HB       ARG  80  11.959 -10.085  -0.660
  595   1HG   ARG  80          2HG       ARG  80  13.430 -11.841  -1.358
  596   2HG   ARG  80          1HG       ARG  80  14.797 -10.726  -1.448
  597   1HD   ARG  80          2HD       ARG  80  13.278 -11.428   1.070
  598   2HD   ARG  80          1HD       ARG  80  14.840 -12.102   0.599
  599    HE   ARG  80           HE       ARG  80  15.663  -9.733   0.689
  600   1HH1  ARG  80          1HH1      ARG  80  12.997 -10.760   2.616
  601   2HH1  ARG  80          2HH1      ARG  80  13.252  -9.535   3.808
  602   1HH2  ARG  80          1HH2      ARG  80  15.985  -8.191   2.225
  603   2HH2  ARG  80          2HH2      ARG  80  14.929  -8.099   3.593
  604    H    PHE  81           H        PHE  81  10.205  -9.692  -2.806
  605    HA   PHE  81           HA       PHE  81   9.507  -6.863  -2.353
  606   1HB   PHE  81          2HB       PHE  81   8.378  -8.693  -4.486
  607   2HB   PHE  81          1HB       PHE  81   7.664  -7.146  -4.045
  608    HD1  PHE  81           HD2      PHE  81   8.905  -5.043  -4.473
  609    HD2  PHE  81           HD1      PHE  81  10.312  -8.805  -5.890
  610    HE1  PHE  81           HE2      PHE  81  10.402  -3.889  -6.047
  611    HE2  PHE  81           HE1      PHE  81  11.806  -7.652  -7.467
  612    HZ   PHE  81           HZ       PHE  81  11.853  -5.195  -7.550
  613    HA   PRO  82           HA       PRO  82   6.940  -8.761   0.788
  614   1HB   PRO  82          2HB       PRO  82   5.583  -6.501   1.531
  615   2HB   PRO  82          1HB       PRO  82   7.230  -6.866   2.055
  616   1HG   PRO  82          2HG       PRO  82   6.297  -5.071  -0.156
  617   2HG   PRO  82          1HG       PRO  82   7.578  -4.798   1.042
  618   1HD   PRO  82          2HD       PRO  82   8.116  -5.568  -1.496
  619   2HD   PRO  82          1HD       PRO  82   9.113  -6.086  -0.122
  620    H    HIS  83           H        HIS  83   5.586 -10.096  -0.359
  621    HA   HIS  83           HA       HIS  83   3.283  -8.946  -1.766
  622   1HB   HIS  83          2HB       HIS  83   4.375 -11.769  -1.701
  623   2HB   HIS  83          1HB       HIS  83   2.947 -11.276  -2.604
  624    HD1  HIS  83           HD1      HIS  83   5.673 -12.432  -3.820
  625    HD2  HIS  83           HD2      HIS  83   4.468  -8.458  -3.779
  626    HE1  HIS  83           HE1      HIS  83   6.886 -11.344  -5.726
  627    HE2  HIS  83           HE2      HIS  83   5.956  -9.011  -5.823
  628    H    LEU  84           H        LEU  84   1.360  -8.875  -0.860
  629    HA   LEU  84           HA       LEU  84   0.813 -10.353   1.604
  630   1HB   LEU  84          2HB       LEU  84   0.375  -7.966   1.639
  631   2HB   LEU  84          1HB       LEU  84  -0.652  -8.096   0.225
  632    HG   LEU  84           HG       LEU  84  -2.302  -9.372   1.511
  633   1HD1  LEU  84          1HD1      LEU  84  -2.071  -9.621   3.936
  634   2HD1  LEU  84          2HD1      LEU  84  -0.435  -8.968   3.845
  635   3HD1  LEU  84          3HD1      LEU  84  -0.818 -10.503   3.065
  636   1HD2  LEU  84          1HD2      LEU  84  -3.075  -7.570   2.967
  637   2HD2  LEU  84          2HD2      LEU  84  -2.474  -6.923   1.442
  638   3HD2  LEU  84          3HD2      LEU  84  -1.484  -6.813   2.898
  639    H    TYR  85           H        TYR  85  -0.122 -12.293   1.405
  640    HA   TYR  85           HA       TYR  85  -1.621 -12.983  -1.000
  641   1HB   TYR  85          2HB       TYR  85  -0.775 -14.660   1.377
  642   2HB   TYR  85          1HB       TYR  85  -1.601 -15.286  -0.049
  643    HD1  TYR  85           HD1      TYR  85  -0.448 -14.939  -2.326
  644    HD2  TYR  85           HD2      TYR  85   1.583 -14.513   1.392
  645    HE1  TYR  85           HE1      TYR  85   1.706 -15.221  -3.476
  646    HE2  TYR  85           HE2      TYR  85   3.741 -14.791   0.249
  647    HH   TYR  85           HH       TYR  85   4.570 -15.871  -1.891
  648    H    ARG  86           H        ARG  86  -2.678 -11.149   1.142
  649    HA   ARG  86           HA       ARG  86  -5.310 -12.446   1.434
  650   1HB   ARG  86          2HB       ARG  86  -3.987 -10.653   3.491
  651   2HB   ARG  86          1HB       ARG  86  -5.613 -11.308   3.597
  652   1HG   ARG  86          2HG       ARG  86  -3.080 -12.935   3.587
  653   2HG   ARG  86          1HG       ARG  86  -4.015 -12.499   5.016
  654   1HD   ARG  86          2HD       ARG  86  -5.972 -13.689   3.991
  655   2HD   ARG  86          1HD       ARG  86  -4.878 -14.267   2.731
  656    HE   ARG  86           HE       ARG  86  -4.117 -14.805   5.487
  657   1HH1  ARG  86          1HH1      ARG  86  -5.466 -16.014   2.553
  658   2HH1  ARG  86          2HH1      ARG  86  -5.273 -17.665   3.029
  659   1HH2  ARG  86          1HH2      ARG  86  -3.876 -16.907   6.078
  660   2HH2  ARG  86          2HH2      ARG  86  -4.377 -18.168   4.999
  661    HA   PRO  87           HA       PRO  87  -6.821  -8.587  -0.429
  662   1HB   PRO  87          2HB       PRO  87  -9.278  -9.267   1.117
  663   2HB   PRO  87          1HB       PRO  87  -9.097  -8.901  -0.604
  664   1HG   PRO  87          2HG       PRO  87  -9.524 -11.406   0.200
  665   2HG   PRO  87          1HG       PRO  87  -8.396 -11.063  -1.127
  666   1HD   PRO  87          2HD       PRO  87  -7.804 -11.711   1.747
  667   2HD   PRO  87          1HD       PRO  87  -6.985 -12.278   0.274
  668    H    LEU  88           H        LEU  88  -6.224  -6.683   0.434
  669    HA   LEU  88           HA       LEU  88  -5.713  -6.413   3.210
  670   1HB   LEU  88          2HB       LEU  88  -4.352  -5.310   1.492
  671   2HB   LEU  88          1HB       LEU  88  -5.719  -4.313   1.038
  672    HG   LEU  88           HG       LEU  88  -5.677  -3.255   3.280
  673   1HD1  LEU  88          1HD1      LEU  88  -4.712  -5.073   4.569
  674   2HD1  LEU  88          2HD1      LEU  88  -3.732  -3.617   4.743
  675   3HD1  LEU  88          3HD1      LEU  88  -3.192  -4.922   3.687
  676   1HD2  LEU  88          1HD2      LEU  88  -4.479  -2.231   1.394
  677   2HD2  LEU  88          2HD2      LEU  88  -3.029  -3.137   1.827
  678   3HD2  LEU  88          3HD2      LEU  88  -3.668  -1.918   2.930
  679    H    LEU  89           H        LEU  89  -7.719  -6.734   4.239
  680    HA   LEU  89           HA       LEU  89 -10.030  -5.196   3.865
  681   1HB   LEU  89          2HB       LEU  89  -8.980  -6.387   6.444
  682   2HB   LEU  89          1HB       LEU  89 -10.627  -5.855   6.163
  683    HG   LEU  89           HG       LEU  89  -9.244  -8.176   4.803
  684   1HD1  LEU  89          1HD1      LEU  89 -10.869  -9.553   5.995
  685   2HD1  LEU  89          2HD1      LEU  89 -11.524  -8.118   6.784
  686   3HD1  LEU  89          3HD1      LEU  89  -9.870  -8.633   7.119
  687   1HD2  LEU  89          1HD2      LEU  89 -11.409  -8.622   3.750
  688   2HD2  LEU  89          2HD2      LEU  89 -10.764  -7.057   3.260
  689   3HD2  LEU  89          3HD2      LEU  89 -12.060  -7.141   4.454
  690    H    VAL  90           H        VAL  90 -10.615  -3.162   4.489
  691    HA   VAL  90           HA       VAL  90  -8.679  -1.263   5.238
  692    HB   VAL  90           HB       VAL  90 -11.692  -1.077   5.510
  693   1HG1  VAL  90          1HG1      VAL  90 -10.568   0.633   6.852
  694   2HG1  VAL  90          2HG1      VAL  90 -11.370   1.352   5.456
  695   3HG1  VAL  90          3HG1      VAL  90  -9.621   1.127   5.448
  696   1HG2  VAL  90          1HG2      VAL  90  -9.888  -0.144   3.269
  697   2HG2  VAL  90          2HG2      VAL  90 -11.644   0.016   3.345
  698   3HG2  VAL  90          3HG2      VAL  90 -10.911  -1.582   3.223
  699    H    SER  91           H        SER  91 -10.859  -3.241   7.143
  700    HA   SER  91           HA       SER  91 -10.378  -1.955   9.658
  701   1HB   SER  91          2HB       SER  91 -11.347  -4.764   9.048
  702   2HB   SER  91          1HB       SER  91 -11.333  -4.040  10.655
  703    HG   SER  91           HG       SER  91 -12.888  -2.616  10.042
  704    H    GLU  92           H        GLU  92  -8.426  -3.904   7.719
  705    HA   GLU  92           HA       GLU  92  -6.814  -4.952   9.933
  706   1HB   GLU  92          2HB       GLU  92  -7.505  -6.295   7.845
  707   2HB   GLU  92          1HB       GLU  92  -6.312  -5.342   6.980
  708   1HG   GLU  92          2HG       GLU  92  -5.245  -7.359   7.532
  709   2HG   GLU  92          1HG       GLU  92  -4.613  -6.164   8.665
  710    H    VAL  93           H        VAL  93  -6.930  -2.245   7.892
  711    HA   VAL  93           HA       VAL  93  -4.106  -1.809   7.533
  712    HB   VAL  93           HB       VAL  93  -6.401   0.137   7.182
  713   1HG1  VAL  93          1HG1      VAL  93  -3.565   0.253   6.134
  714   2HG1  VAL  93          2HG1      VAL  93  -4.250   1.281   7.392
  715   3HG1  VAL  93          3HG1      VAL  93  -4.855   1.389   5.739
  716   1HG2  VAL  93          1HG2      VAL  93  -6.253  -0.423   4.794
  717   2HG2  VAL  93          2HG2      VAL  93  -6.684  -1.826   5.772
  718   3HG2  VAL  93          3HG2      VAL  93  -5.037  -1.648   5.162
  719    H    THR  94           H        THR  94  -2.722  -0.552   8.705
  720    HA   THR  94           HA       THR  94  -3.447   0.076  11.413
  721    HB   THR  94           HB       THR  94  -0.852   0.779  10.014
  722    HG1  THR  94           HG1      THR  94  -1.553  -1.585  11.464
  723   1HG2  THR  94          1HG2      THR  94  -1.176   1.932  12.157
  724   2HG2  THR  94          2HG2      THR  94   0.098   0.719  12.283
  725   3HG2  THR  94          3HG2      THR  94  -1.503   0.388  12.946
  726    H    ARG  95           H        ARG  95  -1.961   2.200   8.903
  727    HA   ARG  95           HA       ARG  95  -3.641   4.434   9.837
  728   1HB   ARG  95          2HB       ARG  95  -0.619   4.549   9.644
  729   2HB   ARG  95          1HB       ARG  95  -1.664   5.928   9.953
  730   1HG   ARG  95          2HG       ARG  95  -2.344   5.004  12.073
  731   2HG   ARG  95          1HG       ARG  95  -1.456   3.514  11.748
  732   1HD   ARG  95          2HD       ARG  95   0.649   4.840  11.684
  733   2HD   ARG  95          1HD       ARG  95  -0.278   6.272  12.135
  734    HE   ARG  95           HE       ARG  95  -0.773   5.171  14.249
  735   1HH1  ARG  95          1HH1      ARG  95   1.851   3.904  12.391
  736   2HH1  ARG  95          2HH1      ARG  95   2.560   3.099  13.751
  737   1HH2  ARG  95          1HH2      ARG  95   0.178   4.156  15.982
  738   2HH2  ARG  95          2HH2      ARG  95   1.630   3.240  15.745
  739    H    GLU  96           H        GLU  96  -3.915   6.140   8.325
  740    HA   GLU  96           HA       GLU  96  -2.661   5.751   5.677
  741   1HB   GLU  96          2HB       GLU  96  -4.608   6.670   4.597
  742   2HB   GLU  96          1HB       GLU  96  -5.127   5.359   5.644
  743   1HG   GLU  96          2HG       GLU  96  -5.825   7.027   7.333
  744   2HG   GLU  96          1HG       GLU  96  -5.370   8.312   6.216
  745    H    ALA  97           H        ALA  97  -1.387   7.377   5.005
  746    HA   ALA  97           HA       ALA  97  -1.494   9.929   6.500
  747   1HB   ALA  97          1HB       ALA  97   0.460   8.556   7.067
  748   2HB   ALA  97          2HB       ALA  97   0.921  10.071   6.293
  749   3HB   ALA  97          3HB       ALA  97   0.952   8.566   5.374
  750    H    ASP  98           H        ASP  98  -0.861  11.841   5.415
  751    HA   ASP  98           HA       ASP  98  -1.323  11.807   2.515
  752   1HB   ASP  98          2HB       ASP  98  -2.711  13.323   3.871
  753   2HB   ASP  98          1HB       ASP  98  -1.263  14.106   4.494
  754    H    LEU  99           H        LEU  99   0.643  11.269   1.603
  755    HA   LEU  99           HA       LEU  99   3.111  12.300   2.678
  756   1HB   LEU  99          2HB       LEU  99   4.261  10.921   1.160
  757   2HB   LEU  99          1HB       LEU  99   2.878  10.000   1.705
  758    HG   LEU  99           HG       LEU  99   3.127  11.380  -0.983
  759   1HD1  LEU  99          1HD1      LEU  99   4.580   9.413  -0.753
  760   2HD1  LEU  99          2HD1      LEU  99   3.276   9.138  -1.907
  761   3HD1  LEU  99          3HD1      LEU  99   3.184   8.439  -0.290
  762   1HD2  LEU  99          1HD2      LEU  99   0.811  11.337  -0.266
  763   2HD2  LEU  99          2HD2      LEU  99   0.933   9.619   0.116
  764   3HD2  LEU  99          3HD2      LEU  99   1.068  10.165  -1.555
  765    H    ASP 100           H        ASP 100   4.639  13.580   1.634
  766    HA   ASP 100           HA       ASP 100   3.475  15.726   0.065
  767   1HB   ASP 100          2HB       ASP 100   5.786  16.757   0.462
  768   2HB   ASP 100          1HB       ASP 100   4.778  16.469   1.876
  769    H    LEU 101           H        LEU 101   5.022  16.772  -1.628
  770    HA   LEU 101           HA       LEU 101   6.372  14.737  -3.279
  771   1HB   LEU 101          2HB       LEU 101   4.417  16.818  -4.272
  772   2HB   LEU 101          1HB       LEU 101   5.462  15.881  -5.319
  773    HG   LEU 101           HG       LEU 101   3.218  14.808  -3.596
  774   1HD1  LEU 101          1HD1      LEU 101   2.434  15.977  -5.568
  775   2HD1  LEU 101          2HD1      LEU 101   2.212  14.239  -5.774
  776   3HD1  LEU 101          3HD1      LEU 101   3.548  15.061  -6.586
  777   1HD2  LEU 101          1HD2      LEU 101   5.055  13.312  -5.476
  778   2HD2  LEU 101          2HD2      LEU 101   3.683  12.638  -4.593
  779   3HD2  LEU 101          3HD2      LEU 101   5.098  13.216  -3.713
  780    H    ASP 102           H        ASP 102   8.376  15.539  -2.573
  781    HA   ASP 102           HA       ASP 102   8.942  18.391  -2.825
  782   1HB   ASP 102          2HB       ASP 102   9.583  17.055  -0.801
  783   2HB   ASP 102          1HB       ASP 102  10.728  16.170  -1.802
  784    H    ALA 103           H        ALA 103  11.069  19.064  -3.748
  785    HA   ALA 103           HA       ALA 103  12.541  19.309  -5.447
  786   1HB   ALA 103          1HB       ALA 103  13.468  17.229  -4.519
  787   2HB   ALA 103          2HB       ALA 103  13.721  17.358  -6.259
  788   3HB   ALA 103          3HB       ALA 103  12.460  16.298  -5.628
  789    H    ASP 104           H        ASP 104  11.033  16.427  -6.865
  790    HA   ASP 104           HA       ASP 104   9.811  18.100  -8.960
  791   1HB   ASP 104          2HB       ASP 104  12.044  17.236  -9.712
  792   2HB   ASP 104          1HB       ASP 104  11.441  15.598  -9.496
  793    H    GLY 105           H        GLY 105   8.740  16.636  -6.623
  794   1HA   GLY 105          2HA       GLY 105   6.552  15.675  -6.492
  795   2HA   GLY 105          1HA       GLY 105   6.832  14.896  -8.040
  796    H    VAL 106           H        VAL 106   9.348  14.798  -5.644
  797    HA   VAL 106           HA       VAL 106   8.946  11.904  -5.402
  798    HB   VAL 106           HB       VAL 106  11.367  13.556  -4.624
  799   1HG1  VAL 106          1HG1      VAL 106  10.998  10.562  -4.852
  800   2HG1  VAL 106          2HG1      VAL 106  11.214  11.476  -3.360
  801   3HG1  VAL 106          3HG1      VAL 106  12.528  11.381  -4.532
  802   1HG2  VAL 106          1HG2      VAL 106  11.006  13.639  -7.033
  803   2HG2  VAL 106          2HG2      VAL 106  10.875  11.880  -7.093
  804   3HG2  VAL 106          3HG2      VAL 106  12.409  12.636  -6.658
  805    HA   PRO 107           HA       PRO 107   7.211  12.753  -1.287
  806   1HB   PRO 107          2HB       PRO 107   7.329   9.777  -1.193
  807   2HB   PRO 107          1HB       PRO 107   5.972  10.862  -0.869
  808   1HG   PRO 107          2HG       PRO 107   6.068   9.441  -3.123
  809   2HG   PRO 107          1HG       PRO 107   5.460  11.109  -3.123
  810   1HD   PRO 107          2HD       PRO 107   8.130  10.063  -4.006
  811   2HD   PRO 107          1HD       PRO 107   7.107  11.313  -4.747
  812    H    GLN 108           H        GLN 108   8.515  13.326   0.353
  813    HA   GLN 108           HA       GLN 108  11.122  12.177   0.699
  814   1HB   GLN 108          2HB       GLN 108   9.578  14.204   2.326
  815   2HB   GLN 108          1HB       GLN 108  11.226  13.711   2.698
  816   1HG   GLN 108          2HG       GLN 108  10.333  14.970   0.107
  817   2HG   GLN 108          1HG       GLN 108  11.127  15.819   1.435
  818   1HE2  GLN 108          1HE2      GLN 108  11.959  15.355  -1.381
  819   2HE2  GLN 108          2HE2      GLN 108  13.524  14.633  -1.263
  820    H    LEU 109           H        LEU 109  10.348   9.955   0.981
  821    HA   LEU 109           HA       LEU 109   9.081   9.172   3.413
  822   1HB   LEU 109          2HB       LEU 109  10.275   7.796   1.089
  823   2HB   LEU 109          1HB       LEU 109  10.318   6.892   2.591
  824    HG   LEU 109           HG       LEU 109   7.899   7.013   2.794
  825   1HD1  LEU 109          1HD1      LEU 109   7.973   8.620   0.242
  826   2HD1  LEU 109          2HD1      LEU 109   7.487   9.192   1.840
  827   3HD1  LEU 109          3HD1      LEU 109   6.517   7.979   1.008
  828   1HD2  LEU 109          1HD2      LEU 109   8.831   5.167   1.512
  829   2HD2  LEU 109          2HD2      LEU 109   8.758   6.131   0.036
  830   3HD2  LEU 109          3HD2      LEU 109   7.269   5.656   0.854
  831    H    GLY 110           H        GLY 110  12.287  10.104   2.710
  832   1HA   GLY 110          2HA       GLY 110  13.857   8.491   4.337
  833   2HA   GLY 110          1HA       GLY 110  14.180  10.187   4.017
  834    H    ASP 111           H        ASP 111  11.854  11.255   5.280
  835    HA   ASP 111           HA       ASP 111  12.648  11.268   8.016
  836   1HB   ASP 111          2HB       ASP 111  10.082  12.322   6.799
  837   2HB   ASP 111          1HB       ASP 111  10.791  12.794   8.342
  838    H    HIS 112           H        HIS 112  10.422   9.356   6.205
  839    HA   HIS 112           HA       HIS 112   9.015   8.335   8.555
  840   1HB   HIS 112          2HB       HIS 112   8.787   7.557   5.634
  841   2HB   HIS 112          1HB       HIS 112   7.733   6.995   6.924
  842    HD1  HIS 112           HD1      HIS 112   5.967   8.673   7.826
  843    HD2  HIS 112           HD2      HIS 112   8.281  10.127   4.699
  844    HE1  HIS 112           HE1      HIS 112   4.801  10.754   7.038
  845    HE2  HIS 112           HE2      HIS 112   6.279  11.682   5.223
  846    H    LEU 113           H        LEU 113  11.827   7.609   6.783
  847    HA   LEU 113           HA       LEU 113  11.787   4.757   7.498
  848   1HB   LEU 113          2HB       LEU 113  13.870   6.223   5.871
  849   2HB   LEU 113          1HB       LEU 113  13.650   4.488   5.997
  850    HG   LEU 113           HG       LEU 113  11.925   6.476   4.532
  851   1HD1  LEU 113          1HD1      LEU 113  13.865   5.679   3.323
  852   2HD1  LEU 113          2HD1      LEU 113  12.382   5.047   2.608
  853   3HD1  LEU 113          3HD1      LEU 113  13.386   4.006   3.619
  854   1HD2  LEU 113          1HD2      LEU 113  10.395   5.015   5.702
  855   2HD2  LEU 113          2HD2      LEU 113  11.267   3.592   5.126
  856   3HD2  LEU 113          3HD2      LEU 113  10.405   4.625   3.984
  857    H    ALA 114           H        ALA 114  14.572   4.345   7.652
  858    HA   ALA 114           HA       ALA 114  16.437   4.511   8.945
  859   1HB   ALA 114          1HB       ALA 114  15.240   7.011  10.140
  860   2HB   ALA 114          2HB       ALA 114  16.283   6.958   8.720
  861   3HB   ALA 114          3HB       ALA 114  16.911   6.467  10.293
  862    H    LEU 115           H        LEU 115  13.511   5.354  10.796
  863    HA   LEU 115           HA       LEU 115  12.485   4.357  12.549
  864   1HB   LEU 115          2HB       LEU 115  13.183   2.229  11.352
  865   2HB   LEU 115          1HB       LEU 115  14.551   2.161  12.443
  866    HG   LEU 115           HG       LEU 115  11.703   2.193  13.463
  867   1HD1  LEU 115          1HD1      LEU 115  13.377  -0.224  12.766
  868   2HD1  LEU 115          2HD1      LEU 115  11.909   0.300  11.940
  869   3HD1  LEU 115          3HD1      LEU 115  11.829  -0.250  13.615
  870   1HD2  LEU 115          1HD2      LEU 115  13.432   2.703  15.112
  871   2HD2  LEU 115          2HD2      LEU 115  14.298   1.228  14.681
  872   3HD2  LEU 115          3HD2      LEU 115  12.706   1.129  15.436
  873    H    GLU 116           H        GLU 116  15.953   3.743  13.020
  874    HA   GLU 116           HA       GLU 116  15.777   4.671  15.770
  875   1HB   GLU 116          2HB       GLU 116  17.116   2.657  15.143
  876   2HB   GLU 116          1HB       GLU 116  18.201   3.702  14.235
  877   1HG   GLU 116          2HG       GLU 116  19.078   3.091  16.456
  878   2HG   GLU 116          1HG       GLU 116  18.888   4.830  16.251
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1   6.337  -8.640  12.456
    2   2H    MET   1          2H        MET   1   6.965 -10.189  12.688
    3   3H    MET   1          3H        MET   1   6.413  -9.717  11.162
    4    HA   MET   1           HA       MET   1   8.717  -8.513  12.586
    5   1HB   MET   1          2HB       MET   1   8.622 -10.448  10.255
    6   2HB   MET   1          1HB       MET   1  10.073  -9.617  10.795
    7   1HG   MET   1          2HG       MET   1   9.910 -10.742  12.963
    8   2HG   MET   1          1HG       MET   1   8.459 -11.581  12.413
    9   1HE   MET   1          1HE       MET   1  11.195 -14.412  12.508
   10   2HE   MET   1          2HE       MET   1   9.588 -13.936  13.058
   11   3HE   MET   1          3HE       MET   1  11.010 -13.056  13.619
   12    H    THR   2           H        THR   2   9.857  -6.945  11.403
   13    HA   THR   2           HA       THR   2  10.055  -5.055  10.180
   14    HB   THR   2           HB       THR   2  10.745  -6.794   8.533
   15    HG1  THR   2           HG1      THR   2  10.438  -5.311   6.674
   16   1HG2  THR   2          1HG2      THR   2   8.580  -7.874   8.117
   17   2HG2  THR   2          2HG2      THR   2   9.281  -7.276   6.614
   18   3HG2  THR   2          3HG2      THR   2   7.968  -6.388   7.388
   19    H    LEU   3           H        LEU   3   8.976  -3.746   8.206
   20    HA   LEU   3           HA       LEU   3   6.099  -3.385   8.814
   21   1HB   LEU   3          2HB       LEU   3   8.067  -1.176   8.170
   22   2HB   LEU   3          1HB       LEU   3   6.380  -0.986   8.609
   23    HG   LEU   3           HG       LEU   3   8.568  -1.995  10.438
   24   1HD1  LEU   3          1HD1      LEU   3   8.298   0.121  11.610
   25   2HD1  LEU   3          2HD1      LEU   3   7.100   0.643  10.424
   26   3HD1  LEU   3          3HD1      LEU   3   8.776   0.390   9.934
   27   1HD2  LEU   3          1HD2      LEU   3   6.909  -1.863  12.210
   28   2HD2  LEU   3          2HD2      LEU   3   6.382  -2.985  10.957
   29   3HD2  LEU   3          3HD2      LEU   3   5.678  -1.370  11.048
   30    H    ILE   4           H        ILE   4   4.764  -2.887   7.050
   31    HA   ILE   4           HA       ILE   4   6.082  -2.921   4.403
   32    HB   ILE   4           HB       ILE   4   3.970  -3.924   3.507
   33   1HG1  ILE   4          2HG1      ILE   4   3.350  -4.343   6.451
   34   2HG1  ILE   4          1HG1      ILE   4   2.438  -3.333   5.333
   35   1HG2  ILE   4          1HG2      ILE   4   4.518  -6.198   4.232
   36   2HG2  ILE   4          2HG2      ILE   4   5.469  -5.546   5.565
   37   3HG2  ILE   4          3HG2      ILE   4   5.972  -5.256   3.900
   38   1HD1  ILE   4          1HD1      ILE   4   1.340  -5.471   5.756
   39   2HD1  ILE   4          2HD1      ILE   4   2.750  -6.322   5.122
   40   3HD1  ILE   4          3HD1      ILE   4   1.788  -5.291   4.061
   41    H    TYR   5           H        TYR   5   5.446  -1.495   2.860
   42    HA   TYR   5           HA       TYR   5   3.491   0.577   3.656
   43   1HB   TYR   5          2HB       TYR   5   6.022   1.084   2.064
   44   2HB   TYR   5          1HB       TYR   5   4.923   2.283   2.732
   45    HD1  TYR   5           HD1      TYR   5   7.485  -0.247   3.605
   46    HD2  TYR   5           HD2      TYR   5   5.195   3.070   4.980
   47    HE1  TYR   5           HE1      TYR   5   8.904  -0.105   5.607
   48    HE2  TYR   5           HE2      TYR   5   6.607   3.215   6.989
   49    HH   TYR   5           HH       TYR   5   8.117   1.936   8.294
   50    H    LYS   6           H        LYS   6   2.175   1.412   1.990
   51    HA   LYS   6           HA       LYS   6   2.753   0.576  -0.761
   52   1HB   LYS   6          2HB       LYS   6   1.184  -1.118   0.078
   53   2HB   LYS   6          1HB       LYS   6   0.050   0.147   0.539
   54   1HG   LYS   6          2HG       LYS   6  -0.192   0.801  -1.806
   55   2HG   LYS   6          1HG       LYS   6   0.961  -0.447  -2.277
   56   1HD   LYS   6          2HD       LYS   6  -0.575  -2.173  -1.411
   57   2HD   LYS   6          1HD       LYS   6  -1.732  -0.911  -0.973
   58   1HE   LYS   6          2HE       LYS   6  -1.901  -0.247  -3.327
   59   2HE   LYS   6          1HE       LYS   6  -0.734  -1.488  -3.765
   60   1HZ   LYS   6          1HZ       LYS   6  -3.006  -2.176  -4.198
   61   2HZ   LYS   6          2HZ       LYS   6  -3.396  -1.993  -2.562
   62   3HZ   LYS   6          3HZ       LYS   6  -2.282  -3.173  -3.036
   63    H    ILE   7           H        ILE   7   2.778   2.342  -1.981
   64    HA   ILE   7           HA       ILE   7   1.181   4.680  -1.257
   65    HB   ILE   7           HB       ILE   7   3.198   4.331  -3.490
   66   1HG1  ILE   7          2HG1      ILE   7   3.462   5.692  -0.790
   67   2HG1  ILE   7          1HG1      ILE   7   4.225   4.174  -1.254
   68   1HG2  ILE   7          1HG2      ILE   7   1.550   6.063  -3.999
   69   2HG2  ILE   7          2HG2      ILE   7   3.131   6.774  -3.679
   70   3HG2  ILE   7          3HG2      ILE   7   1.870   6.839  -2.447
   71   1HD1  ILE   7          1HD1      ILE   7   4.778   6.887  -2.436
   72   2HD1  ILE   7          2HD1      ILE   7   5.515   5.374  -2.967
   73   3HD1  ILE   7          3HD1      ILE   7   5.818   5.979  -1.339
   74    H    LEU   8           H        LEU   8  -0.719   5.145  -2.194
   75    HA   LEU   8           HA       LEU   8  -1.290   4.221  -4.911
   76   1HB   LEU   8          2HB       LEU   8  -3.428   3.270  -4.371
   77   2HB   LEU   8          1HB       LEU   8  -2.200   2.476  -3.407
   78    HG   LEU   8           HG       LEU   8  -4.006   4.661  -2.340
   79   1HD1  LEU   8          1HD1      LEU   8  -5.356   2.752  -2.992
   80   2HD1  LEU   8          2HD1      LEU   8  -5.248   2.850  -1.235
   81   3HD1  LEU   8          3HD1      LEU   8  -4.283   1.662  -2.112
   82   1HD2  LEU   8          1HD2      LEU   8  -3.291   3.810  -0.145
   83   2HD2  LEU   8          2HD2      LEU   8  -1.930   4.412  -1.085
   84   3HD2  LEU   8          3HD2      LEU   8  -2.201   2.676  -0.944
   85    H    SER   9           H        SER   9  -3.419   5.206  -5.721
   86    HA   SER   9           HA       SER   9  -3.297   8.032  -5.307
   87   1HB   SER   9          2HB       SER   9  -3.884   7.252  -7.501
   88   2HB   SER   9          1HB       SER   9  -5.236   6.315  -6.870
   89    HG   SER   9           HG       SER   9  -5.289   8.788  -7.745
   90    H    ARG  10           H        ARG  10  -4.767   9.424  -4.346
   91    HA   ARG  10           HA       ARG  10  -6.100   8.608  -2.033
   92   1HB   ARG  10          2HB       ARG  10  -5.406  10.925  -2.465
   93   2HB   ARG  10          1HB       ARG  10  -6.609  11.059  -3.738
   94   1HG   ARG  10          2HG       ARG  10  -7.342  12.165  -1.699
   95   2HG   ARG  10          1HG       ARG  10  -8.396  10.809  -2.102
   96   1HD   ARG  10          2HD       ARG  10  -7.281   9.420  -0.436
   97   2HD   ARG  10          1HD       ARG  10  -6.160  10.734  -0.072
   98    HE   ARG  10           HE       ARG  10  -8.006  11.971   0.857
   99   1HH1  ARG  10          1HH1      ARG  10  -8.681   8.660   0.169
  100   2HH1  ARG  10          2HH1      ARG  10  -9.994   8.585   1.291
  101   1HH2  ARG  10          1HH2      ARG  10  -9.703  11.848   2.294
  102   2HH2  ARG  10          2HH2      ARG  10 -10.537  10.344   2.509
  103    H    ALA  11           H        ALA  11  -7.225   8.816  -5.350
  104    HA   ALA  11           HA       ALA  11  -9.998   8.495  -4.865
  105   1HB   ALA  11          1HB       ALA  11  -8.400   7.700  -7.305
  106   2HB   ALA  11          2HB       ALA  11  -9.114   9.285  -7.009
  107   3HB   ALA  11          3HB       ALA  11 -10.154   7.877  -7.225
  108    H    GLU  12           H        GLU  12  -7.447   6.112  -5.629
  109    HA   GLU  12           HA       GLU  12  -9.041   3.801  -5.563
  110   1HB   GLU  12          2HB       GLU  12  -6.126   4.037  -4.749
  111   2HB   GLU  12          1HB       GLU  12  -6.954   2.561  -5.223
  112   1HG   GLU  12          2HG       GLU  12  -7.288   3.492  -7.478
  113   2HG   GLU  12          1HG       GLU  12  -6.404   4.939  -6.996
  114    H    TRP  13           H        TRP  13  -7.295   5.483  -2.988
  115    HA   TRP  13           HA       TRP  13  -7.904   3.625  -0.921
  116   1HB   TRP  13          2HB       TRP  13  -5.983   5.150  -0.822
  117   2HB   TRP  13          1HB       TRP  13  -7.068   6.533  -0.768
  118    HD1  TRP  13           HD1      TRP  13  -6.848   7.497   1.582
  119    HE1  TRP  13           HE1      TRP  13  -6.900   6.569   3.979
  120    HE3  TRP  13           HE3      TRP  13  -7.146   2.496   0.513
  121    HZ2  TRP  13           HZ2      TRP  13  -7.062   4.060   5.247
  122    HZ3  TRP  13           HZ3      TRP  13  -7.255   0.899   2.389
  123    HH2  TRP  13           HH2      TRP  13  -7.209   1.668   4.703
  124    H    ASP  14           H        ASP  14  -9.469   6.599  -2.053
  125    HA   ASP  14           HA       ASP  14 -11.430   6.877  -0.058
  126   1HB   ASP  14          2HB       ASP  14 -10.949   8.546  -1.850
  127   2HB   ASP  14          1HB       ASP  14 -11.707   7.480  -3.018
  128    H    ALA  15           H        ALA  15 -11.588   5.257  -3.200
  129    HA   ALA  15           HA       ALA  15 -14.125   4.100  -2.959
  130   1HB   ALA  15          1HB       ALA  15 -12.829   4.359  -5.050
  131   2HB   ALA  15          2HB       ALA  15 -13.474   2.730  -4.837
  132   3HB   ALA  15          3HB       ALA  15 -11.767   3.053  -4.525
  133    H    ALA  16           H        ALA  16 -10.939   2.913  -1.955
  134    HA   ALA  16           HA       ALA  16 -11.679   0.323  -1.161
  135   1HB   ALA  16          1HB       ALA  16  -9.551   2.089   0.057
  136   2HB   ALA  16          2HB       ALA  16  -9.348   1.070  -1.368
  137   3HB   ALA  16          3HB       ALA  16  -9.663   0.332   0.202
  138    H    LYS  17           H        LYS  17 -11.558   3.350   0.748
  139    HA   LYS  17           HA       LYS  17 -12.566   2.349   3.159
  140   1HB   LYS  17          2HB       LYS  17 -12.906   5.077   1.892
  141   2HB   LYS  17          1HB       LYS  17 -13.441   4.697   3.523
  142   1HG   LYS  17          2HG       LYS  17 -11.128   4.183   4.164
  143   2HG   LYS  17          1HG       LYS  17 -10.591   4.571   2.526
  144   1HD   LYS  17          2HD       LYS  17 -11.420   6.870   2.807
  145   2HD   LYS  17          1HD       LYS  17 -11.960   6.480   4.439
  146   1HE   LYS  17          2HE       LYS  17  -9.094   6.330   3.499
  147   2HE   LYS  17          1HE       LYS  17  -9.794   7.708   4.345
  148   1HZ   LYS  17          1HZ       LYS  17  -9.555   4.949   5.421
  149   2HZ   LYS  17          2HZ       LYS  17 -10.265   6.252   6.225
  150   3HZ   LYS  17          3HZ       LYS  17  -8.613   6.282   5.871
  151    H    ALA  18           H        ALA  18 -14.293   3.525   0.286
  152    HA   ALA  18           HA       ALA  18 -16.919   3.283   1.243
  153   1HB   ALA  18          1HB       ALA  18 -17.599   3.210  -1.102
  154   2HB   ALA  18          2HB       ALA  18 -15.934   2.885  -1.585
  155   3HB   ALA  18          3HB       ALA  18 -16.352   4.431  -0.845
  156    H    GLN  19           H        GLN  19 -14.897   0.896  -0.483
  157    HA   GLN  19           HA       GLN  19 -16.756  -1.249  -0.368
  158   1HB   GLN  19          2HB       GLN  19 -13.731  -1.349  -0.521
  159   2HB   GLN  19          1HB       GLN  19 -14.810  -2.699  -0.842
  160   1HG   GLN  19          2HG       GLN  19 -15.759  -1.469  -2.737
  161   2HG   GLN  19          1HG       GLN  19 -14.632  -0.147  -2.438
  162   1HE2  GLN  19          1HE2      GLN  19 -13.624  -0.368  -4.441
  163   2HE2  GLN  19          2HE2      GLN  19 -12.598  -1.705  -4.815
  164    H    GLY  20           H        GLY  20 -14.615   0.119   1.968
  165   1HA   GLY  20          2HA       GLY  20 -14.356  -0.430   4.226
  166   2HA   GLY  20          1HA       GLY  20 -15.252  -1.918   3.952
  167    H    ARG  21           H        ARG  21 -13.071  -1.760   1.511
  168    HA   ARG  21           HA       ARG  21 -10.732  -2.766   2.864
  169   1HB   ARG  21          2HB       ARG  21 -10.831  -5.034   2.109
  170   2HB   ARG  21          1HB       ARG  21 -12.351  -4.699   2.928
  171   1HG   ARG  21          2HG       ARG  21 -13.411  -4.328   0.709
  172   2HG   ARG  21          1HG       ARG  21 -11.891  -4.797  -0.053
  173   1HD   ARG  21          2HD       ARG  21 -12.090  -6.983   1.233
  174   2HD   ARG  21          1HD       ARG  21 -13.744  -6.496   1.609
  175    HE   ARG  21           HE       ARG  21 -12.792  -7.545  -0.858
  176   1HH1  ARG  21          1HH1      ARG  21 -15.117  -5.362   0.464
  177   2HH1  ARG  21          2HH1      ARG  21 -16.154  -5.474  -0.912
  178   1HH2  ARG  21          1HH2      ARG  21 -14.134  -7.693  -2.587
  179   2HH2  ARG  21          2HH2      ARG  21 -15.613  -6.794  -2.617
  180    H    PHE  22           H        PHE  22  -9.080  -3.537   1.258
  181    HA   PHE  22           HA       PHE  22  -9.569  -2.682  -1.506
  182   1HB   PHE  22          2HB       PHE  22  -8.263  -0.922  -0.198
  183   2HB   PHE  22          1HB       PHE  22  -6.958  -2.097  -0.078
  184    HD1  PHE  22           HD2      PHE  22  -9.132  -0.424  -2.597
  185    HD2  PHE  22           HD1      PHE  22  -5.327  -2.159  -1.761
  186    HE1  PHE  22           HE2      PHE  22  -8.323   0.290  -4.807
  187    HE2  PHE  22           HE1      PHE  22  -4.520  -1.445  -3.970
  188    HZ   PHE  22           HZ       PHE  22  -6.015  -0.220  -5.496
  189    H    GLU  23           H        GLU  23  -9.638  -4.699  -2.370
  190    HA   GLU  23           HA       GLU  23  -7.497  -6.604  -1.757
  191   1HB   GLU  23          2HB       GLU  23  -8.868  -8.197  -3.156
  192   2HB   GLU  23          1HB       GLU  23  -9.642  -7.620  -1.688
  193   1HG   GLU  23          2HG       GLU  23 -10.921  -5.994  -3.029
  194   2HG   GLU  23          1HG       GLU  23 -10.180  -6.647  -4.491
  195    H    GLY  24           H        GLY  24  -6.817  -7.950  -3.804
  196   1HA   GLY  24          2HA       GLY  24  -5.283  -6.089  -5.358
  197   2HA   GLY  24          1HA       GLY  24  -5.226  -7.839  -5.470
  198    H    SER  25           H        SER  25  -5.454  -5.485  -7.451
  199    HA   SER  25           HA       SER  25  -7.841  -6.151  -8.950
  200   1HB   SER  25          2HB       SER  25  -5.405  -4.524  -9.754
  201   2HB   SER  25          1HB       SER  25  -6.900  -4.642 -10.678
  202    HG   SER  25           HG       SER  25  -6.802  -2.752  -9.374
  203    H    ALA  26           H        ALA  26  -7.626  -6.873 -11.287
  204    HA   ALA  26           HA       ALA  26  -6.406  -9.344 -11.559
  205   1HB   ALA  26          1HB       ALA  26  -6.774  -9.120 -13.973
  206   2HB   ALA  26          2HB       ALA  26  -7.070  -7.393 -13.767
  207   3HB   ALA  26          3HB       ALA  26  -8.171  -8.570 -13.050
  208    H    VAL  27           H        VAL  27  -5.077  -6.154 -12.232
  209    HA   VAL  27           HA       VAL  27  -2.649  -6.936 -13.431
  210    HB   VAL  27           HB       VAL  27  -3.140  -4.524 -11.666
  211   1HG1  VAL  27          1HG1      VAL  27  -1.258  -3.516 -12.900
  212   2HG1  VAL  27          2HG1      VAL  27  -0.996  -5.049 -13.731
  213   3HG1  VAL  27          3HG1      VAL  27  -0.764  -4.941 -11.987
  214   1HG2  VAL  27          1HG2      VAL  27  -4.739  -4.583 -13.492
  215   2HG2  VAL  27          2HG2      VAL  27  -3.443  -4.854 -14.655
  216   3HG2  VAL  27          3HG2      VAL  27  -3.543  -3.321 -13.789
  217    H    ASP  28           H        ASP  28  -3.336  -6.170  -9.983
  218    HA   ASP  28           HA       ASP  28  -0.895  -6.879  -8.876
  219   1HB   ASP  28          2HB       ASP  28  -3.686  -7.239  -7.744
  220   2HB   ASP  28          1HB       ASP  28  -2.214  -7.452  -6.800
  221    H    LEU  29           H        LEU  29  -3.723  -8.974  -9.417
  222    HA   LEU  29           HA       LEU  29  -2.658 -11.385  -8.512
  223   1HB   LEU  29          2HB       LEU  29  -4.627 -10.959 -10.767
  224   2HB   LEU  29          1HB       LEU  29  -4.367 -12.470  -9.915
  225    HG   LEU  29           HG       LEU  29  -5.434  -9.930  -8.666
  226   1HD1  LEU  29          1HD1      LEU  29  -7.565 -11.117  -8.540
  227   2HD1  LEU  29          2HD1      LEU  29  -6.864 -12.482  -9.412
  228   3HD1  LEU  29          3HD1      LEU  29  -7.036 -10.917 -10.210
  229   1HD2  LEU  29          1HD2      LEU  29  -5.102 -12.704  -7.512
  230   2HD2  LEU  29          2HD2      LEU  29  -5.914 -11.353  -6.721
  231   3HD2  LEU  29          3HD2      LEU  29  -4.187 -11.264  -7.060
  232    H    ALA  30           H        ALA  30  -2.227  -9.777 -11.608
  233    HA   ALA  30           HA       ALA  30  -0.937 -11.979 -12.920
  234   1HB   ALA  30          1HB       ALA  30  -0.838  -9.036 -13.608
  235   2HB   ALA  30          2HB       ALA  30  -2.073 -10.172 -14.155
  236   3HB   ALA  30          3HB       ALA  30  -0.399 -10.378 -14.666
  237    H    ASP  31           H        ASP  31   0.238  -9.033 -11.294
  238    HA   ASP  31           HA       ASP  31   3.004  -9.502 -11.759
  239   1HB   ASP  31          2HB       ASP  31   1.955  -7.291 -11.155
  240   2HB   ASP  31          1HB       ASP  31   1.757  -7.889  -9.512
  241    H    GLY  32           H        GLY  32   0.784 -10.469  -9.244
  242   1HA   GLY  32          2HA       GLY  32   1.608 -12.694  -8.212
  243   2HA   GLY  32          1HA       GLY  32   2.942 -11.694  -7.650
  244    H    PHE  33           H        PHE  33  -0.598 -11.287  -7.798
  245    HA   PHE  33           HA       PHE  33  -2.145 -10.622  -6.295
  246   1HB   PHE  33          2HB       PHE  33  -0.135 -11.771  -4.360
  247   2HB   PHE  33          1HB       PHE  33  -1.681 -11.108  -3.835
  248    HD1  PHE  33           HD1      PHE  33  -0.176 -13.685  -6.069
  249    HD2  PHE  33           HD2      PHE  33  -3.617 -12.423  -3.892
  250    HE1  PHE  33           HE1      PHE  33  -1.260 -15.839  -6.537
  251    HE2  PHE  33           HE2      PHE  33  -4.702 -14.583  -4.356
  252    HZ   PHE  33           HZ       PHE  33  -3.524 -16.293  -5.679
  253    H    ILE  34           H        ILE  34  -1.948  -9.322  -3.788
  254    HA   ILE  34           HA       ILE  34  -1.768  -6.700  -4.696
  255    HB   ILE  34           HB       ILE  34  -1.570  -7.643  -1.827
  256   1HG1  ILE  34          2HG1      ILE  34  -3.965  -6.817  -3.498
  257   2HG1  ILE  34          1HG1      ILE  34  -3.600  -8.450  -2.949
  258   1HG2  ILE  34          1HG2      ILE  34  -2.290  -4.917  -2.931
  259   2HG2  ILE  34          2HG2      ILE  34  -0.818  -5.334  -2.051
  260   3HG2  ILE  34          3HG2      ILE  34  -2.378  -5.396  -1.235
  261   1HD1  ILE  34          1HD1      ILE  34  -5.349  -7.417  -1.612
  262   2HD1  ILE  34          2HD1      ILE  34  -4.256  -6.104  -1.174
  263   3HD1  ILE  34          3HD1      ILE  34  -3.918  -7.750  -0.637
  264    H    HIS  35           H        HIS  35   0.035  -5.858  -5.535
  265    HA   HIS  35           HA       HIS  35   2.648  -6.442  -4.475
  266   1HB   HIS  35          2HB       HIS  35   3.421  -4.746  -6.200
  267   2HB   HIS  35          1HB       HIS  35   2.581  -6.159  -6.821
  268    HD1  HIS  35           HD1      HIS  35   1.590  -2.617  -5.796
  269    HD2  HIS  35           HD2      HIS  35   0.765  -5.472  -8.695
  270    HE1  HIS  35           HE1      HIS  35  -0.046  -1.532  -7.357
  271    HE2  HIS  35           HE2      HIS  35  -0.689  -3.350  -8.966
  272    H    LEU  36           H        LEU  36   3.453  -5.551  -2.722
  273    HA   LEU  36           HA       LEU  36   2.651  -2.831  -1.919
  274   1HB   LEU  36          2HB       LEU  36   4.153  -4.940  -0.353
  275   2HB   LEU  36          1HB       LEU  36   3.548  -3.418   0.276
  276    HG   LEU  36           HG       LEU  36   1.817  -5.679  -0.752
  277   1HD1  LEU  36          1HD1      LEU  36   1.236  -6.051   1.592
  278   2HD1  LEU  36          2HD1      LEU  36   2.401  -4.820   2.083
  279   3HD1  LEU  36          3HD1      LEU  36   2.957  -6.304   1.307
  280   1HD2  LEU  36          1HD2      LEU  36   1.090  -3.107   0.654
  281   2HD2  LEU  36          2HD2      LEU  36  -0.030  -4.412   0.249
  282   3HD2  LEU  36          3HD2      LEU  36   0.767  -3.504  -1.035
  283    H    SER  37           H        SER  37   4.763  -2.018  -0.398
  284    HA   SER  37           HA       SER  37   7.185  -2.211  -2.046
  285   1HB   SER  37          2HB       SER  37   7.502   0.248  -2.020
  286   2HB   SER  37          1HB       SER  37   6.051  -0.221  -2.906
  287    HG   SER  37           HG       SER  37   5.277   0.133  -0.432
  288    H    ALA  38           H        ALA  38   9.117  -1.516  -0.985
  289    HA   ALA  38           HA       ALA  38   9.014  -1.820   1.927
  290   1HB   ALA  38          1HB       ALA  38  11.383  -1.845   0.049
  291   2HB   ALA  38          2HB       ALA  38  10.553  -3.263   0.693
  292   3HB   ALA  38          3HB       ALA  38  11.432  -2.186   1.778
  293    H    GLY  39           H        GLY  39  11.108  -0.496   2.912
  294   1HA   GLY  39          2HA       GLY  39  10.175   2.090   3.296
  295   2HA   GLY  39          1HA       GLY  39  11.806   1.561   3.666
  296    H    GLU  40           H        GLU  40  13.423   1.696   1.898
  297    HA   GLU  40           HA       GLU  40  13.358   4.222   0.639
  298   1HB   GLU  40          2HB       GLU  40  15.464   3.142   1.248
  299   2HB   GLU  40          1HB       GLU  40  15.168   1.859   0.081
  300   1HG   GLU  40          2HG       GLU  40  15.369   3.408  -1.753
  301   2HG   GLU  40          1HG       GLU  40  15.493   4.770  -0.641
  302    H    GLN  41           H        GLN  41  12.358   1.064  -0.483
  303    HA   GLN  41           HA       GLN  41  12.320   1.564  -3.255
  304   1HB   GLN  41          2HB       GLN  41  12.098  -0.691  -2.609
  305   2HB   GLN  41          1HB       GLN  41  10.774  -0.340  -1.506
  306   1HG   GLN  41          2HG       GLN  41   9.242  -0.043  -3.281
  307   2HG   GLN  41          1HG       GLN  41  10.530   0.011  -4.482
  308   1HE2  GLN  41          1HE2      GLN  41  10.601  -2.358  -1.925
  309   2HE2  GLN  41          2HE2      GLN  41  10.232  -3.716  -2.920
  310    H    ALA  42           H        ALA  42   9.870   2.197  -0.755
  311    HA   ALA  42           HA       ALA  42   7.827   3.130  -2.438
  312   1HB   ALA  42          1HB       ALA  42   7.467   2.661  -0.068
  313   2HB   ALA  42          2HB       ALA  42   6.963   4.304  -0.467
  314   3HB   ALA  42          3HB       ALA  42   8.492   4.029   0.368
  315    H    GLN  43           H        GLN  43  10.454   4.934  -0.833
  316    HA   GLN  43           HA       GLN  43   9.887   7.481  -1.852
  317   1HB   GLN  43          2HB       GLN  43  11.451   7.250  -0.047
  318   2HB   GLN  43          1HB       GLN  43  12.490   6.202  -1.002
  319   1HG   GLN  43          2HG       GLN  43  13.503   8.373  -0.827
  320   2HG   GLN  43          1HG       GLN  43  12.998   8.108  -2.493
  321   1HE2  GLN  43          1HE2      GLN  43  11.229   9.294  -3.302
  322   2HE2  GLN  43          2HE2      GLN  43  10.664  10.725  -2.516
  323    H    GLU  44           H        GLU  44  12.114   5.007  -3.123
  324    HA   GLU  44           HA       GLU  44  13.047   6.501  -5.315
  325   1HB   GLU  44          2HB       GLU  44  14.135   4.460  -4.346
  326   2HB   GLU  44          1HB       GLU  44  12.880   3.486  -5.097
  327   1HG   GLU  44          2HG       GLU  44  14.903   3.434  -6.419
  328   2HG   GLU  44          1HG       GLU  44  13.611   4.237  -7.309
  329    H    THR  45           H        THR  45  10.578   3.900  -5.235
  330    HA   THR  45           HA       THR  45   9.755   4.094  -7.905
  331    HB   THR  45           HB       THR  45   7.988   3.359  -5.549
  332    HG1  THR  45           HG1      THR  45   9.609   1.894  -5.493
  333   1HG2  THR  45          1HG2      THR  45   7.754   2.636  -8.481
  334   2HG2  THR  45          2HG2      THR  45   6.748   3.815  -7.640
  335   3HG2  THR  45          3HG2      THR  45   6.674   2.111  -7.188
  336    H    ALA  46           H        ALA  46   8.691   5.905  -5.048
  337    HA   ALA  46           HA       ALA  46   6.592   7.349  -6.236
  338   1HB   ALA  46          1HB       ALA  46   6.837   8.916  -4.396
  339   2HB   ALA  46          2HB       ALA  46   8.429   8.255  -4.018
  340   3HB   ALA  46          3HB       ALA  46   6.989   7.259  -3.810
  341    H    ALA  47           H        ALA  47  10.060   8.083  -5.984
  342    HA   ALA  47           HA       ALA  47   9.915  10.647  -7.205
  343   1HB   ALA  47          1HB       ALA  47  12.352  10.515  -7.313
  344   2HB   ALA  47          2HB       ALA  47  12.286   8.795  -6.930
  345   3HB   ALA  47          3HB       ALA  47  11.761   9.984  -5.738
  346    H    LYS  48           H        LYS  48  10.152   7.412  -8.535
  347    HA   LYS  48           HA       LYS  48  10.869   8.355 -11.173
  348   1HB   LYS  48          2HB       LYS  48  10.089   5.606 -10.189
  349   2HB   LYS  48          1HB       LYS  48  10.711   5.983 -11.777
  350   1HG   LYS  48          2HG       LYS  48  12.800   6.839 -10.636
  351   2HG   LYS  48          1HG       LYS  48  12.161   6.124  -9.153
  352   1HD   LYS  48          2HD       LYS  48  12.010   3.933 -10.372
  353   2HD   LYS  48          1HD       LYS  48  12.849   4.692 -11.723
  354   1HE   LYS  48          2HE       LYS  48  13.896   4.192  -8.942
  355   2HE   LYS  48          1HE       LYS  48  14.476   3.501 -10.455
  356   1HZ   LYS  48          1HZ       LYS  48  15.989   5.177  -9.847
  357   2HZ   LYS  48          2HZ       LYS  48  14.769   6.289  -9.501
  358   3HZ   LYS  48          3HZ       LYS  48  15.070   5.840 -11.103
  359    H    TRP  49           H        TRP  49   8.021   6.811  -9.659
  360    HA   TRP  49           HA       TRP  49   6.547   7.141 -12.182
  361   1HB   TRP  49          2HB       TRP  49   6.054   5.252  -9.877
  362   2HB   TRP  49          1HB       TRP  49   5.076   5.340 -11.340
  363    HD1  TRP  49           HD1      TRP  49   8.324   3.917 -10.006
  364    HE1  TRP  49           HE1      TRP  49   9.434   2.473 -11.826
  365    HE3  TRP  49           HE3      TRP  49   5.341   5.162 -13.971
  366    HZ2  TRP  49           HZ2      TRP  49   9.088   1.927 -14.571
  367    HZ3  TRP  49           HZ3      TRP  49   5.802   4.133 -16.159
  368    HH2  TRP  49           HH2      TRP  49   7.638   2.549 -16.451
  369    H    PHE  50           H        PHE  50   6.159   7.683  -8.672
  370    HA   PHE  50           HA       PHE  50   3.448   8.668  -9.075
  371   1HB   PHE  50          2HB       PHE  50   5.120   8.368  -6.575
  372   2HB   PHE  50          1HB       PHE  50   3.480   9.004  -6.584
  373    HD1  PHE  50           HD2      PHE  50   1.577   7.548  -7.138
  374    HD2  PHE  50           HD1      PHE  50   5.543   6.008  -6.839
  375    HE1  PHE  50           HE2      PHE  50   0.678   5.261  -6.990
  376    HE2  PHE  50           HE1      PHE  50   4.644   3.723  -6.700
  377    HZ   PHE  50           HZ       PHE  50   2.212   3.348  -6.774
  378    H    ARG  51           H        ARG  51   6.421  10.040  -9.420
  379    HA   ARG  51           HA       ARG  51   6.142  12.577  -8.242
  380   1HB   ARG  51          2HB       ARG  51   7.791  13.314  -9.972
  381   2HB   ARG  51          1HB       ARG  51   8.285  11.887  -9.070
  382   1HG   ARG  51          2HG       ARG  51   7.804  10.451 -10.898
  383   2HG   ARG  51          1HG       ARG  51   6.975  11.737 -11.777
  384   1HD   ARG  51          2HD       ARG  51   9.035  12.926 -12.099
  385   2HD   ARG  51          1HD       ARG  51   9.902  11.802 -11.053
  386    HE   ARG  51           HE       ARG  51   9.681  10.127 -12.747
  387   1HH1  ARG  51          1HH1      ARG  51   8.709  13.273 -13.735
  388   2HH1  ARG  51          2HH1      ARG  51   8.897  12.925 -15.414
  389   1HH2  ARG  51          1HH2      ARG  51   9.938   9.686 -14.894
  390   2HH2  ARG  51          2HH2      ARG  51   9.583  10.908 -16.066
  391    H    GLY  52           H        GLY  52   5.007  14.353  -8.775
  392   1HA   GLY  52          2HA       GLY  52   3.858  15.874 -10.135
  393   2HA   GLY  52          1HA       GLY  52   3.924  14.722 -11.457
  394    H    GLN  53           H        GLN  53   2.836  12.854  -9.053
  395    HA   GLN  53           HA       GLN  53   0.045  13.229  -9.844
  396   1HB   GLN  53          2HB       GLN  53   1.302  11.040  -8.168
  397   2HB   GLN  53          1HB       GLN  53  -0.352  11.059  -8.768
  398   1HG   GLN  53          2HG       GLN  53   0.538  11.040 -11.084
  399   2HG   GLN  53          1HG       GLN  53   2.165  10.898 -10.420
  400   1HE2  GLN  53          1HE2      GLN  53   2.539   8.919 -11.370
  401   2HE2  GLN  53          2HE2      GLN  53   1.757   7.473 -10.849
  402    H    ALA  54           H        ALA  54  -1.235  14.496  -8.644
  403    HA   ALA  54           HA       ALA  54  -0.586  15.073  -5.861
  404   1HB   ALA  54          1HB       ALA  54  -2.341  16.756  -5.997
  405   2HB   ALA  54          2HB       ALA  54  -2.815  16.157  -7.586
  406   3HB   ALA  54          3HB       ALA  54  -1.234  16.906  -7.362
  407    H    ASN  55           H        ASN  55  -2.156  14.900  -4.162
  408    HA   ASN  55           HA       ASN  55  -3.596  13.761  -2.845
  409   1HB   ASN  55          2HB       ASN  55  -5.049  13.167  -5.435
  410   2HB   ASN  55          1HB       ASN  55  -5.702  12.917  -3.819
  411   1HD2  ASN  55          1HD2      ASN  55  -6.616  14.633  -6.015
  412   2HD2  ASN  55          2HD2      ASN  55  -6.683  16.231  -5.361
  413    H    LEU  56           H        LEU  56  -1.687  12.356  -2.575
  414    HA   LEU  56           HA       LEU  56  -2.250   9.587  -3.458
  415   1HB   LEU  56          2HB       LEU  56   0.432  10.854  -2.851
  416   2HB   LEU  56          1HB       LEU  56   0.187   9.156  -3.208
  417    HG   LEU  56           HG       LEU  56  -0.350  11.432  -5.131
  418   1HD1  LEU  56          1HD1      LEU  56   1.623  10.630  -6.325
  419   2HD1  LEU  56          2HD1      LEU  56   1.912   9.431  -5.063
  420   3HD1  LEU  56          3HD1      LEU  56   2.035  11.151  -4.692
  421   1HD2  LEU  56          1HD2      LEU  56  -0.441   8.437  -5.529
  422   2HD2  LEU  56          2HD2      LEU  56  -0.583   9.646  -6.806
  423   3HD2  LEU  56          3HD2      LEU  56  -1.818   9.542  -5.552
  424    H    VAL  57           H        VAL  57  -1.775   7.906  -1.925
  425    HA   VAL  57           HA       VAL  57  -1.567   8.795   0.883
  426    HB   VAL  57           HB       VAL  57  -3.400   6.605  -0.139
  427   1HG1  VAL  57          1HG1      VAL  57  -4.207   6.476   2.180
  428   2HG1  VAL  57          2HG1      VAL  57  -2.998   7.664   2.666
  429   3HG1  VAL  57          3HG1      VAL  57  -2.491   6.084   2.070
  430   1HG2  VAL  57          1HG2      VAL  57  -4.062   9.331   0.995
  431   2HG2  VAL  57          2HG2      VAL  57  -5.234   8.078   0.586
  432   3HG2  VAL  57          3HG2      VAL  57  -4.262   8.824  -0.682
  433    H    LEU  58           H        LEU  58  -0.240   7.615   2.179
  434    HA   LEU  58           HA       LEU  58   1.029   5.212   1.023
  435   1HB   LEU  58          2HB       LEU  58   2.444   7.292   1.495
  436   2HB   LEU  58          1HB       LEU  58   2.191   6.962   3.196
  437    HG   LEU  58           HG       LEU  58   3.481   4.978   1.309
  438   1HD1  LEU  58          1HD1      LEU  58   4.814   7.017   1.349
  439   2HD1  LEU  58          2HD1      LEU  58   5.630   5.714   2.211
  440   3HD1  LEU  58          3HD1      LEU  58   4.819   6.995   3.113
  441   1HD2  LEU  58          1HD2      LEU  58   2.588   3.996   3.366
  442   2HD2  LEU  58          2HD2      LEU  58   3.485   5.171   4.327
  443   3HD2  LEU  58          3HD2      LEU  58   4.351   3.975   3.364
  444    H    LEU  59           H        LEU  59   0.054   3.470   1.847
  445    HA   LEU  59           HA       LEU  59  -1.074   3.427   4.506
  446   1HB   LEU  59          2HB       LEU  59  -0.738   1.198   2.487
  447   2HB   LEU  59          1HB       LEU  59  -1.669   1.092   3.971
  448    HG   LEU  59           HG       LEU  59  -2.285   2.872   1.603
  449   1HD1  LEU  59          1HD1      LEU  59  -3.728   0.447   2.675
  450   2HD1  LEU  59          2HD1      LEU  59  -2.774   0.516   1.192
  451   3HD1  LEU  59          3HD1      LEU  59  -4.255   1.461   1.331
  452   1HD2  LEU  59          1HD2      LEU  59  -4.349   3.440   2.805
  453   2HD2  LEU  59          2HD2      LEU  59  -2.916   3.978   3.679
  454   3HD2  LEU  59          3HD2      LEU  59  -3.780   2.533   4.208
  455    H    ALA  60           H        ALA  60   0.230   3.252   6.210
  456    HA   ALA  60           HA       ALA  60   2.618   1.528   6.076
  457   1HB   ALA  60          1HB       ALA  60   1.888   3.631   8.125
  458   2HB   ALA  60          2HB       ALA  60   2.985   3.865   6.764
  459   3HB   ALA  60          3HB       ALA  60   3.404   2.731   8.048
  460    H    VAL  61           H        VAL  61   2.399  -0.467   6.893
  461    HA   VAL  61           HA       VAL  61   0.569  -0.886   9.183
  462    HB   VAL  61           HB       VAL  61   1.041  -2.828   6.905
  463   1HG1  VAL  61          1HG1      VAL  61   0.661  -3.984   9.014
  464   2HG1  VAL  61          2HG1      VAL  61  -0.740  -4.164   7.958
  465   3HG1  VAL  61          3HG1      VAL  61  -0.791  -3.023   9.302
  466   1HG2  VAL  61          1HG2      VAL  61  -1.317  -2.411   6.322
  467   2HG2  VAL  61          2HG2      VAL  61  -0.334  -0.954   6.178
  468   3HG2  VAL  61          3HG2      VAL  61  -1.397  -1.167   7.570
  469    H    GLU  62           H        GLU  62   1.434  -1.847  10.925
  470    HA   GLU  62           HA       GLU  62   4.181  -2.755  10.882
  471   1HB   GLU  62          2HB       GLU  62   2.145  -2.673  13.125
  472   2HB   GLU  62          1HB       GLU  62   3.836  -3.119  13.326
  473   1HG   GLU  62          2HG       GLU  62   4.473  -0.863  12.483
  474   2HG   GLU  62          1HG       GLU  62   2.763  -0.437  12.451
  475    H    ALA  63           H        ALA  63   4.701  -4.756  10.191
  476    HA   ALA  63           HA       ALA  63   2.574  -6.722   9.912
  477   1HB   ALA  63          1HB       ALA  63   4.012  -6.203   8.005
  478   2HB   ALA  63          2HB       ALA  63   4.128  -7.905   8.453
  479   3HB   ALA  63          3HB       ALA  63   5.417  -6.787   8.899
  480    H    GLU  64           H        GLU  64   3.007  -6.615  12.567
  481    HA   GLU  64           HA       GLU  64   4.905  -8.651  13.362
  482   1HB   GLU  64          2HB       GLU  64   2.803  -7.154  14.937
  483   2HB   GLU  64          1HB       GLU  64   3.868  -8.364  15.644
  484   1HG   GLU  64          2HG       GLU  64   5.815  -7.025  15.054
  485   2HG   GLU  64          1HG       GLU  64   4.772  -5.826  14.288
  486    HA   PRO  65           HA       PRO  65   1.046 -11.369  14.202
  487   1HB   PRO  65          2HB       PRO  65  -1.440 -10.549  13.557
  488   2HB   PRO  65          1HB       PRO  65  -0.657 -10.061  15.065
  489   1HG   PRO  65          2HG       PRO  65  -0.927  -8.536  12.493
  490   2HG   PRO  65          1HG       PRO  65  -1.169  -7.970  14.157
  491   1HD   PRO  65          2HD       PRO  65   1.128  -7.532  12.742
  492   2HD   PRO  65          1HD       PRO  65   1.084  -7.665  14.510
  493    H    LEU  66           H        LEU  66   0.550  -9.471  11.229
  494    HA   LEU  66           HA       LEU  66  -0.092 -11.919   9.745
  495   1HB   LEU  66          2HB       LEU  66  -1.005 -10.576   8.039
  496   2HB   LEU  66          1HB       LEU  66  -1.554  -9.877   9.547
  497    HG   LEU  66           HG       LEU  66   0.737  -8.765   7.905
  498   1HD1  LEU  66          1HD1      LEU  66  -2.141  -7.858   8.022
  499   2HD1  LEU  66          2HD1      LEU  66  -1.354  -8.640   6.651
  500   3HD1  LEU  66          3HD1      LEU  66  -0.828  -7.040   7.174
  501   1HD2  LEU  66          1HD2      LEU  66  -0.765  -7.702  10.297
  502   2HD2  LEU  66          2HD2      LEU  66   0.257  -6.704   9.264
  503   3HD2  LEU  66          3HD2      LEU  66   0.962  -8.044  10.163
  504    H    GLY  67           H        GLY  67   2.652 -11.135  10.666
  505   1HA   GLY  67          2HA       GLY  67   4.178 -10.070   8.553
  506   2HA   GLY  67          1HA       GLY  67   4.809 -10.971   9.915
  507    H    GLU  68           H        GLU  68   2.833 -13.209   8.748
  508    HA   GLU  68           HA       GLU  68   4.731 -14.117   6.669
  509   1HB   GLU  68          2HB       GLU  68   4.864 -15.350   8.875
  510   2HB   GLU  68          1HB       GLU  68   3.238 -15.944   8.561
  511   1HG   GLU  68          2HG       GLU  68   4.010 -17.067   6.545
  512   2HG   GLU  68          1HG       GLU  68   5.630 -16.414   6.785
  513    H    ASP  69           H        ASP  69   1.721 -12.980   7.031
  514    HA   ASP  69           HA       ASP  69   0.282 -14.790   5.299
  515   1HB   ASP  69          2HB       ASP  69  -0.352 -12.017   6.330
  516   2HB   ASP  69          1HB       ASP  69  -1.452 -12.967   5.333
  517    H    LEU  70           H        LEU  70   2.699 -12.641   4.767
  518    HA   LEU  70           HA       LEU  70   2.077 -12.525   1.907
  519   1HB   LEU  70          2HB       LEU  70   2.804 -10.280   1.658
  520   2HB   LEU  70          1HB       LEU  70   1.629 -10.285   2.957
  521    HG   LEU  70           HG       LEU  70   4.614 -10.277   3.450
  522   1HD1  LEU  70          1HD1      LEU  70   4.424  -7.874   3.829
  523   2HD1  LEU  70          2HD1      LEU  70   2.733  -7.918   3.328
  524   3HD1  LEU  70          3HD1      LEU  70   4.009  -8.291   2.167
  525   1HD2  LEU  70          1HD2      LEU  70   2.255  -9.611   5.222
  526   2HD2  LEU  70          2HD2      LEU  70   3.953  -9.433   5.669
  527   3HD2  LEU  70          3HD2      LEU  70   3.289 -11.034   5.346
  528    H    LYS  71           H        LYS  71   4.107 -12.111   0.598
  529    HA   LYS  71           HA       LYS  71   6.431 -13.335   1.958
  530   1HB   LYS  71          2HB       LYS  71   5.198 -14.896   0.432
  531   2HB   LYS  71          1HB       LYS  71   5.612 -13.835  -0.908
  532   1HG   LYS  71          2HG       LYS  71   7.988 -14.225  -0.494
  533   2HG   LYS  71          1HG       LYS  71   7.581 -15.268   0.870
  534   1HD   LYS  71          2HD       LYS  71   6.309 -16.724  -0.734
  535   2HD   LYS  71          1HD       LYS  71   6.963 -15.742  -2.049
  536   1HE   LYS  71          2HE       LYS  71   8.296 -17.756  -1.747
  537   2HE   LYS  71          1HE       LYS  71   9.243 -16.327  -1.330
  538   1HZ   LYS  71          1HZ       LYS  71   7.876 -18.115   0.608
  539   2HZ   LYS  71          2HZ       LYS  71   8.805 -16.759   1.005
  540   3HZ   LYS  71          3HZ       LYS  71   9.535 -18.103   0.286
  541    H    TRP  72           H        TRP  72   8.226 -12.152   1.897
  542    HA   TRP  72           HA       TRP  72   8.511  -9.913   0.090
  543   1HB   TRP  72          2HB       TRP  72  10.371 -11.104   2.162
  544   2HB   TRP  72          1HB       TRP  72  10.789  -9.707   1.176
  545    HD1  TRP  72           HD1      TRP  72   8.245 -10.754   3.893
  546    HE1  TRP  72           HE1      TRP  72   7.472  -8.629   5.120
  547    HE3  TRP  72           HE3      TRP  72  10.629  -7.251   1.032
  548    HZ2  TRP  72           HZ2      TRP  72   7.821  -5.839   4.905
  549    HZ3  TRP  72           HZ3      TRP  72  10.359  -4.872   1.608
  550    HH2  TRP  72           HH2      TRP  72   8.985  -4.181   3.506
  551    H    GLU  73           H        GLU  73   8.445 -10.968  -1.944
  552    HA   GLU  73           HA       GLU  73  10.278 -13.097  -2.559
  553   1HB   GLU  73          2HB       GLU  73   8.394 -11.519  -4.320
  554   2HB   GLU  73          1HB       GLU  73   9.342 -12.897  -4.866
  555   1HG   GLU  73          2HG       GLU  73   8.198 -14.307  -3.188
  556   2HG   GLU  73          1HG       GLU  73   7.202 -12.924  -2.738
  557    H    ALA  74           H        ALA  74  12.365 -12.401  -2.416
  558    HA   ALA  74           HA       ALA  74  13.265 -10.210  -4.137
  559   1HB   ALA  74          1HB       ALA  74  15.458 -10.554  -3.140
  560   2HB   ALA  74          2HB       ALA  74  14.882 -12.005  -2.320
  561   3HB   ALA  74          3HB       ALA  74  14.232 -10.427  -1.878
  562    H    SER  75           H        SER  75  12.370 -11.540  -5.974
  563    HA   SER  75           HA       SER  75  14.423 -13.399  -7.005
  564   1HB   SER  75          2HB       SER  75  12.622 -14.765  -8.019
  565   2HB   SER  75          1HB       SER  75  12.497 -14.719  -6.261
  566    HG   SER  75           HG       SER  75  10.478 -14.272  -6.865
  567    H    ARG  76           H        ARG  76  11.397 -12.070  -8.348
  568    HA   ARG  76           HA       ARG  76  12.564 -11.554 -10.896
  569   1HB   ARG  76          2HB       ARG  76  10.144 -12.051 -10.479
  570   2HB   ARG  76          1HB       ARG  76   9.980 -10.455  -9.760
  571   1HG   ARG  76          2HG       ARG  76  10.797  -9.531 -11.989
  572   2HG   ARG  76          1HG       ARG  76  10.547 -11.158 -12.629
  573   1HD   ARG  76          2HD       ARG  76   8.579  -9.866 -13.093
  574   2HD   ARG  76          1HD       ARG  76   8.180 -11.031 -11.827
  575    HE   ARG  76           HE       ARG  76   8.936  -8.296 -11.080
  576   1HH1  ARG  76          1HH1      ARG  76   6.506 -10.742 -11.253
  577   2HH1  ARG  76          2HH1      ARG  76   5.425  -9.886 -10.211
  578   1HH2  ARG  76          1HH2      ARG  76   7.562  -7.226  -9.763
  579   2HH2  ARG  76          2HH2      ARG  76   5.996  -7.879  -9.414
  580    H    GLY  77           H        GLY  77  14.175 -10.058 -11.013
  581   1HA   GLY  77          2HA       GLY  77  14.694  -7.735 -11.365
  582   2HA   GLY  77          1HA       GLY  77  13.562  -7.318 -10.088
  583    H    GLY  78           H        GLY  78  14.821  -9.652  -8.506
  584   1HA   GLY  78          2HA       GLY  78  16.808 -10.085  -7.324
  585   2HA   GLY  78          1HA       GLY  78  17.488  -8.591  -7.939
  586    H    ALA  79           H        ALA  79  15.178  -6.966  -7.094
  587    HA   ALA  79           HA       ALA  79  16.079  -6.436  -4.413
  588   1HB   ALA  79          1HB       ALA  79  13.884  -5.119  -6.016
  589   2HB   ALA  79          2HB       ALA  79  15.571  -4.608  -5.953
  590   3HB   ALA  79          3HB       ALA  79  14.567  -4.513  -4.506
  591    H    ARG  80           H        ARG  80  14.383  -5.915  -2.690
  592    HA   ARG  80           HA       ARG  80  12.858  -8.330  -2.205
  593   1HB   ARG  80          2HB       ARG  80  13.157  -5.871  -0.458
  594   2HB   ARG  80          1HB       ARG  80  12.570  -7.452   0.049
  595   1HG   ARG  80          2HG       ARG  80  14.738  -8.431  -0.296
  596   2HG   ARG  80          1HG       ARG  80  15.353  -6.934  -1.000
  597   1HD   ARG  80          2HD       ARG  80  14.924  -5.812   1.192
  598   2HD   ARG  80          1HD       ARG  80  14.488  -7.385   1.861
  599    HE   ARG  80           HE       ARG  80  16.921  -7.892   0.888
  600   1HH1  ARG  80          1HH1      ARG  80  15.776  -5.287   2.837
  601   2HH1  ARG  80          2HH1      ARG  80  17.313  -5.027   3.578
  602   1HH2  ARG  80          1HH2      ARG  80  18.882  -7.543   1.831
  603   2HH2  ARG  80          2HH2      ARG  80  19.065  -6.296   3.017
  604    H    PHE  81           H        PHE  81  10.854  -8.506  -3.072
  605    HA   PHE  81           HA       PHE  81   9.112  -6.116  -3.075
  606   1HB   PHE  81          2HB       PHE  81   9.054  -8.506  -4.936
  607   2HB   PHE  81          1HB       PHE  81   7.933  -7.148  -4.986
  608    HD1  PHE  81           HD2      PHE  81   8.929  -4.813  -5.360
  609    HD2  PHE  81           HD1      PHE  81  11.050  -8.423  -6.151
  610    HE1  PHE  81           HE2      PHE  81  10.462  -3.586  -6.838
  611    HE2  PHE  81           HE1      PHE  81  12.586  -7.197  -7.630
  612    HZ   PHE  81           HZ       PHE  81  12.290  -4.778  -7.980
  613    HA   PRO  82           HA       PRO  82   6.752  -8.717  -0.160
  614   1HB   PRO  82          2HB       PRO  82   5.229  -6.664   0.801
  615   2HB   PRO  82          1HB       PRO  82   6.853  -7.022   1.394
  616   1HG   PRO  82          2HG       PRO  82   5.955  -4.933  -0.548
  617   2HG   PRO  82          1HG       PRO  82   7.178  -4.825   0.731
  618   1HD   PRO  82          2HD       PRO  82   7.791  -5.161  -1.913
  619   2HD   PRO  82          1HD       PRO  82   8.818  -5.748  -0.591
  620    H    HIS  83           H        HIS  83   5.301  -9.949  -1.240
  621    HA   HIS  83           HA       HIS  83   3.047  -8.613  -2.606
  622   1HB   HIS  83          2HB       HIS  83   4.261 -11.356  -2.962
  623   2HB   HIS  83          1HB       HIS  83   2.672 -10.952  -3.598
  624    HD1  HIS  83           HD1      HIS  83   5.906 -11.282  -4.796
  625    HD2  HIS  83           HD2      HIS  83   3.053  -8.290  -5.175
  626    HE1  HIS  83           HE1      HIS  83   6.565  -9.986  -6.839
  627    HE2  HIS  83           HE2      HIS  83   4.684  -8.352  -7.181
  628    H    LEU  84           H        LEU  84   1.210  -8.526  -1.494
  629    HA   LEU  84           HA       LEU  84   0.731 -10.362   0.731
  630   1HB   LEU  84          2HB       LEU  84   0.221  -7.685   0.400
  631   2HB   LEU  84          1HB       LEU  84  -1.352  -8.375   0.057
  632    HG   LEU  84           HG       LEU  84   0.238  -8.627   2.617
  633   1HD1  LEU  84          1HD1      LEU  84  -1.716  -7.508   3.608
  634   2HD1  LEU  84          2HD1      LEU  84  -2.417  -7.336   2.000
  635   3HD1  LEU  84          3HD1      LEU  84  -0.905  -6.515   2.396
  636   1HD2  LEU  84          1HD2      LEU  84  -0.842 -10.767   2.154
  637   2HD2  LEU  84          2HD2      LEU  84  -2.389  -9.950   1.931
  638   3HD2  LEU  84          3HD2      LEU  84  -1.609  -9.946   3.513
  639    H    TYR  85           H        TYR  85  -0.326 -12.211   0.391
  640    HA   TYR  85           HA       TYR  85  -1.835 -12.619  -2.064
  641   1HB   TYR  85          2HB       TYR  85  -1.217 -14.583   0.161
  642   2HB   TYR  85          1HB       TYR  85  -1.802 -14.976  -1.454
  643    HD1  TYR  85           HD2      TYR  85  -0.301 -14.536  -3.436
  644    HD2  TYR  85           HD1      TYR  85   1.104 -14.275   0.574
  645    HE1  TYR  85           HE2      TYR  85   2.014 -14.683  -4.244
  646    HE2  TYR  85           HE1      TYR  85   3.422 -14.425  -0.225
  647    HH   TYR  85           HH       TYR  85   4.301 -13.998  -3.440
  648    H    ARG  86           H        ARG  86  -2.743 -11.142   0.565
  649    HA   ARG  86           HA       ARG  86  -5.424 -12.363   0.697
  650   1HB   ARG  86          2HB       ARG  86  -3.886 -11.222   3.048
  651   2HB   ARG  86          1HB       ARG  86  -5.504 -11.909   3.099
  652   1HG   ARG  86          2HG       ARG  86  -4.578 -14.098   2.447
  653   2HG   ARG  86          1HG       ARG  86  -2.960 -13.393   2.457
  654   1HD   ARG  86          2HD       ARG  86  -3.452 -14.618   4.537
  655   2HD   ARG  86          1HD       ARG  86  -3.150 -12.904   4.826
  656    HE   ARG  86           HE       ARG  86  -5.554 -12.617   5.069
  657   1HH1  ARG  86          1HH1      ARG  86  -4.323 -15.825   5.298
  658   2HH1  ARG  86          2HH1      ARG  86  -5.701 -16.407   6.163
  659   1HH2  ARG  86          1HH2      ARG  86  -7.302 -13.371   6.180
  660   2HH2  ARG  86          2HH2      ARG  86  -7.374 -15.032   6.657
  661    HA   PRO  87           HA       PRO  87  -6.934  -8.240  -0.076
  662   1HB   PRO  87          2HB       PRO  87  -9.343  -8.335   1.213
  663   2HB   PRO  87          1HB       PRO  87  -9.038  -9.128  -0.338
  664   1HG   PRO  87          2HG       PRO  87  -9.014 -10.298   2.427
  665   2HG   PRO  87          1HG       PRO  87  -9.736 -10.953   0.944
  666   1HD   PRO  87          2HD       PRO  87  -7.363 -11.828   1.870
  667   2HD   PRO  87          1HD       PRO  87  -7.695 -11.704   0.130
  668    H    LEU  88           H        LEU  88  -6.542  -6.294   0.849
  669    HA   LEU  88           HA       LEU  88  -5.908  -6.235   3.701
  670   1HB   LEU  88          2HB       LEU  88  -4.329  -5.314   2.046
  671   2HB   LEU  88          1HB       LEU  88  -5.528  -4.144   1.542
  672    HG   LEU  88           HG       LEU  88  -4.602  -4.168   4.406
  673   1HD1  LEU  88          1HD1      LEU  88  -2.547  -4.175   3.086
  674   2HD1  LEU  88          2HD1      LEU  88  -2.811  -2.598   3.830
  675   3HD1  LEU  88          3HD1      LEU  88  -3.152  -2.833   2.115
  676   1HD2  LEU  88          1HD2      LEU  88  -5.564  -1.993   2.537
  677   2HD2  LEU  88          2HD2      LEU  88  -5.056  -1.746   4.207
  678   3HD2  LEU  88          3HD2      LEU  88  -6.479  -2.724   3.855
  679    H    LEU  89           H        LEU  89  -7.670  -5.963   4.983
  680    HA   LEU  89           HA       LEU  89  -9.910  -4.323   4.234
  681   1HB   LEU  89          2HB       LEU  89  -9.166  -5.348   6.981
  682   2HB   LEU  89          1HB       LEU  89 -10.739  -4.749   6.484
  683    HG   LEU  89           HG       LEU  89  -9.403  -7.290   5.524
  684   1HD1  LEU  89          1HD1      LEU  89 -10.267  -7.469   7.782
  685   2HD1  LEU  89          2HD1      LEU  89 -11.263  -8.402   6.666
  686   3HD1  LEU  89          3HD1      LEU  89 -11.831  -6.841   7.257
  687   1HD2  LEU  89          1HD2      LEU  89 -10.684  -6.302   3.712
  688   2HD2  LEU  89          2HD2      LEU  89 -12.084  -6.119   4.769
  689   3HD2  LEU  89          3HD2      LEU  89 -11.510  -7.730   4.334
  690    H    VAL  90           H        VAL  90 -10.375  -2.178   4.850
  691    HA   VAL  90           HA       VAL  90  -8.194  -0.487   5.312
  692    HB   VAL  90           HB       VAL  90  -9.813   1.297   5.539
  693   1HG1  VAL  90          1HG1      VAL  90  -9.308   0.480   3.307
  694   2HG1  VAL  90          2HG1      VAL  90 -10.978   1.037   3.403
  695   3HG1  VAL  90          3HG1      VAL  90 -10.621  -0.691   3.430
  696   1HG2  VAL  90          1HG2      VAL  90 -12.237   0.849   5.523
  697   2HG2  VAL  90          2HG2      VAL  90 -11.452   0.243   6.980
  698   3HG2  VAL  90          3HG2      VAL  90 -11.897  -0.874   5.690
  699    H    SER  91           H        SER  91 -10.446  -2.000   7.531
  700    HA   SER  91           HA       SER  91  -9.835  -0.477   9.845
  701   1HB   SER  91          2HB       SER  91 -10.886  -2.338  11.089
  702   2HB   SER  91          1HB       SER  91 -11.856  -1.875   9.691
  703    HG   SER  91           HG       SER  91 -11.620  -4.154   9.880
  704    H    GLU  92           H        GLU  92  -7.968  -2.698   8.117
  705    HA   GLU  92           HA       GLU  92  -6.469  -3.700  10.418
  706   1HB   GLU  92          2HB       GLU  92  -7.047  -5.216   8.560
  707   2HB   GLU  92          1HB       GLU  92  -6.117  -4.217   7.454
  708   1HG   GLU  92          2HG       GLU  92  -4.062  -4.792   8.572
  709   2HG   GLU  92          1HG       GLU  92  -4.944  -5.650   9.836
  710    H    VAL  93           H        VAL  93  -6.261  -1.143   8.111
  711    HA   VAL  93           HA       VAL  93  -3.457  -0.887   7.851
  712    HB   VAL  93           HB       VAL  93  -5.529   1.319   7.705
  713   1HG1  VAL  93          1HG1      VAL  93  -2.750   1.161   6.522
  714   2HG1  VAL  93          2HG1      VAL  93  -3.241   2.170   7.883
  715   3HG1  VAL  93          3HG1      VAL  93  -3.906   2.472   6.279
  716   1HG2  VAL  93          1HG2      VAL  93  -5.558   0.885   5.290
  717   2HG2  VAL  93          2HG2      VAL  93  -6.086  -0.529   6.203
  718   3HG2  VAL  93          3HG2      VAL  93  -4.460  -0.477   5.519
  719    H    THR  94           H        THR  94  -2.007  -0.478   9.422
  720    HA   THR  94           HA       THR  94  -2.569   0.446  12.002
  721    HB   THR  94           HB       THR  94   0.057   0.687  10.500
  722    HG1  THR  94           HG1      THR  94  -0.835  -1.335  12.314
  723   1HG2  THR  94          1HG2      THR  94   0.017   2.113  12.499
  724   2HG2  THR  94          2HG2      THR  94   1.099   0.740  12.726
  725   3HG2  THR  94          3HG2      THR  94  -0.496   0.738  13.476
  726    H    ARG  95           H        ARG  95  -1.028   2.293   9.344
  727    HA   ARG  95           HA       ARG  95  -2.523   4.660  10.188
  728   1HB   ARG  95          2HB       ARG  95  -0.337   4.802  11.353
  729   2HB   ARG  95          1HB       ARG  95   0.478   4.716   9.798
  730   1HG   ARG  95          2HG       ARG  95   0.398   7.010  10.550
  731   2HG   ARG  95          1HG       ARG  95  -0.617   6.818   9.119
  732   1HD   ARG  95          2HD       ARG  95  -2.576   6.544  10.706
  733   2HD   ARG  95          1HD       ARG  95  -1.491   7.061  11.995
  734    HE   ARG  95           HE       ARG  95  -1.792   8.822   9.681
  735   1HH1  ARG  95          1HH1      ARG  95  -2.394   8.210  13.022
  736   2HH1  ARG  95          2HH1      ARG  95  -3.065   9.779  13.292
  737   1HH2  ARG  95          1HH2      ARG  95  -2.648  10.824  10.050
  738   2HH2  ARG  95          2HH2      ARG  95  -3.199  11.244  11.634
  739    H    GLU  96           H        GLU  96  -2.974   6.090   8.567
  740    HA   GLU  96           HA       GLU  96  -2.034   5.403   5.852
  741   1HB   GLU  96          2HB       GLU  96  -4.204   6.459   5.070
  742   2HB   GLU  96          1HB       GLU  96  -4.367   4.935   5.932
  743   1HG   GLU  96          2HG       GLU  96  -4.973   6.162   7.972
  744   2HG   GLU  96          1HG       GLU  96  -4.838   7.683   7.092
  745    H    ALA  97           H        ALA  97  -0.430   6.820   5.406
  746    HA   ALA  97           HA       ALA  97  -0.575   9.567   6.401
  747   1HB   ALA  97          1HB       ALA  97   1.662   8.187   4.912
  748   2HB   ALA  97          2HB       ALA  97   1.522   8.309   6.665
  749   3HB   ALA  97          3HB       ALA  97   1.746   9.767   5.695
  750    H    ASP  98           H        ASP  98  -1.813  10.881   5.168
  751    HA   ASP  98           HA       ASP  98  -2.047  10.725   2.339
  752   1HB   ASP  98          2HB       ASP  98  -3.708  11.801   3.900
  753   2HB   ASP  98          1HB       ASP  98  -2.571  13.125   4.117
  754    H    LEU  99           H        LEU  99  -0.423  11.143   0.949
  755    HA   LEU  99           HA       LEU  99   2.036  12.246   1.777
  756   1HB   LEU  99          2HB       LEU  99   0.995  11.680  -1.000
  757   2HB   LEU  99          1HB       LEU  99   2.653  12.134  -0.643
  758    HG   LEU  99           HG       LEU  99   1.247   9.628   0.308
  759   1HD1  LEU  99          1HD1      LEU  99   3.490  10.014  -1.674
  760   2HD1  LEU  99          2HD1      LEU  99   1.838   9.520  -2.043
  761   3HD1  LEU  99          3HD1      LEU  99   2.884   8.460  -1.100
  762   1HD2  LEU  99          1HD2      LEU  99   2.794  10.425   2.010
  763   2HD2  LEU  99          2HD2      LEU  99   4.078  10.563   0.807
  764   3HD2  LEU  99          3HD2      LEU  99   3.428   8.978   1.229
  765    H    ASP 100           H        ASP 100   2.650  14.237   2.036
  766    HA   ASP 100           HA       ASP 100   0.968  16.447   1.433
  767   1HB   ASP 100          2HB       ASP 100   2.788  17.782   2.476
  768   2HB   ASP 100          1HB       ASP 100   2.278  16.416   3.463
  769    H    LEU 101           H        LEU 101   4.019  15.302   0.086
  770    HA   LEU 101           HA       LEU 101   5.148  15.743  -1.839
  771   1HB   LEU 101          2HB       LEU 101   2.709  17.306  -2.701
  772   2HB   LEU 101          1HB       LEU 101   4.014  16.769  -3.738
  773    HG   LEU 101           HG       LEU 101   2.012  14.996  -2.326
  774   1HD1  LEU 101          1HD1      LEU 101   1.270  14.469  -4.616
  775   2HD1  LEU 101          2HD1      LEU 101   2.385  15.687  -5.240
  776   3HD1  LEU 101          3HD1      LEU 101   1.040  16.168  -4.204
  777   1HD2  LEU 101          1HD2      LEU 101   3.049  13.154  -3.577
  778   2HD2  LEU 101          2HD2      LEU 101   4.177  13.892  -2.441
  779   3HD2  LEU 101          3HD2      LEU 101   4.295  14.258  -4.163
  780    H    ASP 102           H        ASP 102   6.794  17.171  -2.190
  781    HA   ASP 102           HA       ASP 102   6.254  20.042  -1.834
  782   1HB   ASP 102          2HB       ASP 102   7.262  19.067   0.276
  783   2HB   ASP 102          1HB       ASP 102   8.711  18.721  -0.662
  784    H    ALA 103           H        ALA 103   7.898  21.438  -2.737
  785    HA   ALA 103           HA       ALA 103   9.263  22.215  -4.353
  786   1HB   ALA 103          1HB       ALA 103  10.891  20.843  -3.121
  787   2HB   ALA 103          2HB       ALA 103  11.278  20.983  -4.837
  788   3HB   ALA 103          3HB       ALA 103  10.558  19.498  -4.214
  789    H    ASP 104           H        ASP 104   9.197  18.829  -5.511
  790    HA   ASP 104           HA       ASP 104   8.575  19.900  -8.191
  791   1HB   ASP 104          2HB       ASP 104   9.798  17.218  -7.507
  792   2HB   ASP 104          1HB       ASP 104   9.734  17.992  -9.088
  793    H    GLY 105           H        GLY 105   6.701  18.834  -5.888
  794   1HA   GLY 105          2HA       GLY 105   4.697  17.680  -5.812
  795   2HA   GLY 105          1HA       GLY 105   4.818  17.472  -7.554
  796    H    VAL 106           H        VAL 106   7.314  16.458  -5.374
  797    HA   VAL 106           HA       VAL 106   6.729  13.616  -5.939
  798    HB   VAL 106           HB       VAL 106   9.376  14.921  -5.218
  799   1HG1  VAL 106          1HG1      VAL 106   9.255  12.615  -4.424
  800   2HG1  VAL 106          2HG1      VAL 106  10.395  12.761  -5.762
  801   3HG1  VAL 106          3HG1      VAL 106   8.796  12.071  -6.037
  802   1HG2  VAL 106          1HG2      VAL 106   8.662  15.548  -7.464
  803   2HG2  VAL 106          2HG2      VAL 106   8.426  13.849  -7.878
  804   3HG2  VAL 106          3HG2      VAL 106  10.046  14.456  -7.531
  805    HA   PRO 107           HA       PRO 107   6.226  13.185  -1.463
  806   1HB   PRO 107          2HB       PRO 107   6.768  10.314  -1.817
  807   2HB   PRO 107          1HB       PRO 107   5.290  11.115  -1.275
  808   1HG   PRO 107          2HG       PRO 107   5.468   9.908  -3.684
  809   2HG   PRO 107          1HG       PRO 107   4.475  11.353  -3.423
  810   1HD   PRO 107          2HD       PRO 107   7.209  11.127  -4.651
  811   2HD   PRO 107          1HD       PRO 107   5.815  12.099  -5.176
  812    H    GLN 108           H        GLN 108   8.057  14.113  -0.527
  813    HA   GLN 108           HA       GLN 108  10.639  12.816  -0.692
  814   1HB   GLN 108          2HB       GLN 108   9.711  15.204   0.916
  815   2HB   GLN 108          1HB       GLN 108  11.357  14.593   0.946
  816   1HG   GLN 108          2HG       GLN 108  11.377  16.416  -0.527
  817   2HG   GLN 108          1HG       GLN 108  11.414  14.985  -1.552
  818   1HE2  GLN 108          1HE2      GLN 108  10.607  16.170  -3.304
  819   2HE2  GLN 108          2HE2      GLN 108   8.953  16.653  -3.383
  820    H    LEU 109           H        LEU 109   9.985  10.734   0.223
  821    HA   LEU 109           HA       LEU 109   9.277  10.467   2.957
  822   1HB   LEU 109          2HB       LEU 109  10.447   8.609   0.917
  823   2HB   LEU 109          1HB       LEU 109  10.413   8.122   2.600
  824    HG   LEU 109           HG       LEU 109   7.967   8.355   2.635
  825   1HD1  LEU 109          1HD1      LEU 109   8.234   9.021  -0.296
  826   2HD1  LEU 109          2HD1      LEU 109   7.683  10.106   0.984
  827   3HD1  LEU 109          3HD1      LEU 109   6.721   8.693   0.553
  828   1HD2  LEU 109          1HD2      LEU 109   7.444   6.434   1.214
  829   2HD2  LEU 109          2HD2      LEU 109   8.951   6.196   2.097
  830   3HD2  LEU 109          3HD2      LEU 109   8.990   6.622   0.385
  831    H    GLY 110           H        GLY 110  12.312  11.007   1.340
  832   1HA   GLY 110          2HA       GLY 110  14.142  10.267   3.315
  833   2HA   GLY 110          1HA       GLY 110  14.388  11.567   2.163
  834    H    ASP 111           H        ASP 111  11.959  12.995   3.284
  835    HA   ASP 111           HA       ASP 111  13.256  14.119   5.665
  836   1HB   ASP 111          2HB       ASP 111  10.996  15.166   3.944
  837   2HB   ASP 111          1HB       ASP 111  11.624  15.988   5.371
  838    H    HIS 112           H        HIS 112  10.770  11.969   4.879
  839    HA   HIS 112           HA       HIS 112   9.199  12.447   7.292
  840   1HB   HIS 112          2HB       HIS 112   8.946  10.487   5.012
  841   2HB   HIS 112          1HB       HIS 112   7.969  10.334   6.464
  842    HD1  HIS 112           HD1      HIS 112   6.514  12.625   7.006
  843    HD2  HIS 112           HD2      HIS 112   7.812  12.011   3.110
  844    HE1  HIS 112           HE1      HIS 112   5.010  14.031   5.574
  845    HE2  HIS 112           HE2      HIS 112   5.999  13.864   3.269
  846    H    LEU 113           H        LEU 113  11.553  10.131   6.064
  847    HA   LEU 113           HA       LEU 113  11.208   8.345   8.335
  848   1HB   LEU 113          2HB       LEU 113  13.306   8.102   6.177
  849   2HB   LEU 113          1HB       LEU 113  12.650   6.840   7.201
  850    HG   LEU 113           HG       LEU 113  11.288   8.209   4.879
  851   1HD1  LEU 113          1HD1      LEU 113  12.868   6.432   4.309
  852   2HD1  LEU 113          2HD1      LEU 113  11.208   5.980   3.925
  853   3HD1  LEU 113          3HD1      LEU 113  11.994   5.316   5.359
  854   1HD2  LEU 113          1HD2      LEU 113  10.090   6.289   6.883
  855   2HD2  LEU 113          2HD2      LEU 113   9.342   6.754   5.354
  856   3HD2  LEU 113          3HD2      LEU 113   9.616   7.966   6.603
  857    H    ALA 114           H        ALA 114  13.690   7.427   8.921
  858    HA   ALA 114           HA       ALA 114  14.754   9.518  10.563
  859   1HB   ALA 114          1HB       ALA 114  16.328   7.825  11.365
  860   2HB   ALA 114          2HB       ALA 114  15.803   6.731  10.085
  861   3HB   ALA 114          3HB       ALA 114  14.673   7.211  11.349
  862    H    LEU 115           H        LEU 115  15.232  10.945   8.675
  863    HA   LEU 115           HA       LEU 115  16.654  12.036   7.299
  864   1HB   LEU 115          2HB       LEU 115  18.756  10.539   8.860
  865   2HB   LEU 115          1HB       LEU 115  19.059  11.924   7.828
  866    HG   LEU 115           HG       LEU 115  17.380  11.942  10.346
  867   1HD1  LEU 115          1HD1      LEU 115  20.120  13.086   9.811
  868   2HD1  LEU 115          2HD1      LEU 115  19.747  11.699  10.836
  869   3HD1  LEU 115          3HD1      LEU 115  19.179  13.307  11.286
  870   1HD2  LEU 115          1HD2      LEU 115  18.173  14.210   8.514
  871   2HD2  LEU 115          2HD2      LEU 115  17.336  14.377  10.058
  872   3HD2  LEU 115          3HD2      LEU 115  16.549  13.549   8.716
  873    H    GLU 116           H        GLU 116  18.885   9.314   7.453
  874    HA   GLU 116           HA       GLU 116  19.706   7.882   5.877
  875   1HB   GLU 116          2HB       GLU 116  17.257   7.156   6.118
  876   2HB   GLU 116          1HB       GLU 116  16.968   7.986   4.598
  877   1HG   GLU 116          2HG       GLU 116  17.248   5.698   4.079
  878   2HG   GLU 116          1HG       GLU 116  18.731   6.506   3.573
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1   6.685  -6.984  12.755
    2   2H    MET   1          2H        MET   1   7.373  -8.243  13.647
    3   3H    MET   1          3H        MET   1   7.523  -8.224  11.964
    4    HA   MET   1           HA       MET   1   8.687  -6.250  13.847
    5   1HB   MET   1          2HB       MET   1  10.864  -7.209  13.211
    6   2HB   MET   1          1HB       MET   1   9.824  -8.397  13.983
    7   1HG   MET   1          2HG       MET   1   9.313  -9.402  11.850
    8   2HG   MET   1          1HG       MET   1  10.227  -8.151  11.008
    9   1HE   MET   1          1HE       MET   1  12.423 -11.390  10.528
   10   2HE   MET   1          2HE       MET   1  11.509 -10.118   9.716
   11   3HE   MET   1          3HE       MET   1  10.663 -11.361  10.638
   12    H    THR   2           H        THR   2   7.810  -6.969  10.559
   13    HA   THR   2           HA       THR   2   9.587  -4.898   9.477
   14    HB   THR   2           HB       THR   2   8.861  -5.684   7.252
   15    HG1  THR   2           HG1      THR   2   6.789  -6.424   7.620
   16   1HG2  THR   2          1HG2      THR   2  10.787  -6.780   8.319
   17   2HG2  THR   2          2HG2      THR   2   9.877  -7.917   7.323
   18   3HG2  THR   2          3HG2      THR   2   9.701  -7.947   9.078
   19    H    LEU   3           H        LEU   3   8.877  -3.067   8.407
   20    HA   LEU   3           HA       LEU   3   6.049  -2.325   8.783
   21   1HB   LEU   3          2HB       LEU   3   8.199  -0.922   9.514
   22   2HB   LEU   3          1HB       LEU   3   8.130  -0.378   7.852
   23    HG   LEU   3           HG       LEU   3   7.032   1.220   9.307
   24   1HD1  LEU   3          1HD1      LEU   3   5.006  -0.273   7.644
   25   2HD1  LEU   3          2HD1      LEU   3   6.103   0.984   7.072
   26   3HD1  LEU   3          3HD1      LEU   3   4.843   1.381   8.239
   27   1HD2  LEU   3          1HD2      LEU   3   6.435  -0.311  11.118
   28   2HD2  LEU   3          2HD2      LEU   3   5.181  -1.025  10.104
   29   3HD2  LEU   3          3HD2      LEU   3   5.057   0.661  10.607
   30    H    ILE   4           H        ILE   4   4.722  -2.312   7.060
   31    HA   ILE   4           HA       ILE   4   5.922  -2.506   4.366
   32    HB   ILE   4           HB       ILE   4   3.687  -3.510   3.714
   33   1HG1  ILE   4          2HG1      ILE   4   3.398  -3.693   6.730
   34   2HG1  ILE   4          1HG1      ILE   4   2.394  -2.726   5.656
   35   1HG2  ILE   4          1HG2      ILE   4   4.288  -5.738   4.572
   36   2HG2  ILE   4          2HG2      ILE   4   5.394  -4.988   5.723
   37   3HG2  ILE   4          3HG2      ILE   4   5.701  -4.855   3.991
   38   1HD1  ILE   4          1HD1      ILE   4   1.340  -4.829   6.417
   39   2HD1  ILE   4          2HD1      ILE   4   2.586  -5.728   5.547
   40   3HD1  ILE   4          3HD1      ILE   4   1.464  -4.691   4.666
   41    H    TYR   5           H        TYR   5   4.847  -1.485   2.573
   42    HA   TYR   5           HA       TYR   5   3.199   0.845   3.311
   43   1HB   TYR   5          2HB       TYR   5   5.672   0.869   1.566
   44   2HB   TYR   5          1HB       TYR   5   4.543   2.212   1.685
   45    HD1  TYR   5           HD2      TYR   5   7.115   0.277   3.490
   46    HD2  TYR   5           HD1      TYR   5   4.530   3.657   3.619
   47    HE1  TYR   5           HE2      TYR   5   8.367   1.155   5.416
   48    HE2  TYR   5           HE1      TYR   5   5.773   4.542   5.546
   49    HH   TYR   5           HH       TYR   5   7.226   3.720   7.342
   50    H    LYS   6           H        LYS   6   2.108   1.889   1.483
   51    HA   LYS   6           HA       LYS   6   1.916   0.508  -1.055
   52   1HB   LYS   6          2HB       LYS   6   0.366  -0.879   0.114
   53   2HB   LYS   6          1HB       LYS   6  -0.373   0.497   0.919
   54   1HG   LYS   6          2HG       LYS   6  -1.883  -0.275  -0.751
   55   2HG   LYS   6          1HG       LYS   6  -1.220   1.263  -1.297
   56   1HD   LYS   6          2HD       LYS   6  -1.240  -0.150  -3.195
   57   2HD   LYS   6          1HD       LYS   6   0.440  -0.080  -2.667
   58   1HE   LYS   6          2HE       LYS   6  -1.367  -2.293  -1.741
   59   2HE   LYS   6          1HE       LYS   6  -0.597  -2.371  -3.320
   60   1HZ   LYS   6          1HZ       LYS   6   1.550  -2.259  -2.282
   61   2HZ   LYS   6          2HZ       LYS   6   0.666  -3.511  -1.575
   62   3HZ   LYS   6          3HZ       LYS   6   0.858  -2.050  -0.750
   63    H    ILE   7           H        ILE   7   1.977   2.160  -2.474
   64    HA   ILE   7           HA       ILE   7   0.687   4.714  -1.778
   65    HB   ILE   7           HB       ILE   7   2.696   4.106  -3.962
   66   1HG1  ILE   7          2HG1      ILE   7   3.044   5.572  -1.327
   67   2HG1  ILE   7          1HG1      ILE   7   3.633   3.949  -1.669
   68   1HG2  ILE   7          1HG2      ILE   7   2.850   6.544  -4.237
   69   2HG2  ILE   7          2HG2      ILE   7   1.569   6.760  -3.044
   70   3HG2  ILE   7          3HG2      ILE   7   1.221   5.957  -4.575
   71   1HD1  ILE   7          1HD1      ILE   7   5.086   4.882  -3.425
   72   2HD1  ILE   7          2HD1      ILE   7   5.435   5.534  -1.824
   73   3HD1  ILE   7          3HD1      ILE   7   4.533   6.501  -2.991
   74    H    LEU   8           H        LEU   8  -1.136   5.351  -2.780
   75    HA   LEU   8           HA       LEU   8  -1.792   4.445  -5.467
   76   1HB   LEU   8          2HB       LEU   8  -3.908   3.461  -4.932
   77   2HB   LEU   8          1HB       LEU   8  -2.678   2.651  -3.983
   78    HG   LEU   8           HG       LEU   8  -4.551   4.783  -2.921
   79   1HD1  LEU   8          1HD1      LEU   8  -5.770   2.763  -3.517
   80   2HD1  LEU   8          2HD1      LEU   8  -5.688   2.955  -1.767
   81   3HD1  LEU   8          3HD1      LEU   8  -4.643   1.786  -2.576
   82   1HD2  LEU   8          1HD2      LEU   8  -2.439   4.699  -1.699
   83   2HD2  LEU   8          2HD2      LEU   8  -2.622   2.959  -1.476
   84   3HD2  LEU   8          3HD2      LEU   8  -3.760   4.070  -0.714
   85    H    SER   9           H        SER   9  -3.847   5.518  -6.262
   86    HA   SER   9           HA       SER   9  -3.810   8.305  -5.651
   87   1HB   SER   9          2HB       SER   9  -5.633   6.612  -7.365
   88   2HB   SER   9          1HB       SER   9  -5.886   8.347  -7.164
   89    HG   SER   9           HG       SER   9  -3.566   7.066  -8.212
   90    H    ARG  10           H        ARG  10  -5.414   9.631  -4.688
   91    HA   ARG  10           HA       ARG  10  -6.450   8.641  -2.288
   92   1HB   ARG  10          2HB       ARG  10  -5.965  11.009  -2.580
   93   2HB   ARG  10          1HB       ARG  10  -7.233  11.149  -3.791
   94   1HG   ARG  10          2HG       ARG  10  -8.004  12.050  -1.687
   95   2HG   ARG  10          1HG       ARG  10  -8.915  10.591  -2.077
   96   1HD   ARG  10          2HD       ARG  10  -7.052   9.432  -0.603
   97   2HD   ARG  10          1HD       ARG  10  -6.881  11.056   0.067
   98    HE   ARG  10           HE       ARG  10  -9.583  10.033  -0.036
   99   1HH1  ARG  10          1HH1      ARG  10  -6.733  10.392   1.873
  100   2HH1  ARG  10          2HH1      ARG  10  -7.569  10.095   3.354
  101   1HH2  ARG  10          1HH2      ARG  10 -10.626   9.620   1.856
  102   2HH2  ARG  10          2HH2      ARG  10  -9.749   9.662   3.351
  103    H    ALA  11           H        ALA  11  -8.271   9.509  -5.254
  104    HA   ALA  11           HA       ALA  11 -10.813   8.760  -4.426
  105   1HB   ALA  11          1HB       ALA  11 -11.353   8.476  -6.798
  106   2HB   ALA  11          2HB       ALA  11  -9.633   8.460  -7.190
  107   3HB   ALA  11          3HB       ALA  11 -10.374   9.918  -6.531
  108    H    GLU  12           H        GLU  12  -8.240   6.726  -5.756
  109    HA   GLU  12           HA       GLU  12  -9.716   4.307  -5.842
  110   1HB   GLU  12          2HB       GLU  12  -7.642   4.648  -7.116
  111   2HB   GLU  12          1HB       GLU  12  -6.727   4.755  -5.620
  112   1HG   GLU  12          2HG       GLU  12  -7.142   2.444  -5.123
  113   2HG   GLU  12          1HG       GLU  12  -8.263   2.307  -6.477
  114    H    TRP  13           H        TRP  13  -7.731   5.840  -3.333
  115    HA   TRP  13           HA       TRP  13  -7.825   3.734  -1.457
  116   1HB   TRP  13          2HB       TRP  13  -6.235   5.508  -1.133
  117   2HB   TRP  13          1HB       TRP  13  -7.512   6.719  -1.073
  118    HD1  TRP  13           HD1      TRP  13  -7.682   7.591   1.327
  119    HE1  TRP  13           HE1      TRP  13  -7.653   6.557   3.684
  120    HE3  TRP  13           HE3      TRP  13  -6.813   2.704   0.071
  121    HZ2  TRP  13           HZ2      TRP  13  -7.311   4.019   4.854
  122    HZ3  TRP  13           HZ3      TRP  13  -6.651   1.038   1.875
  123    HH2  TRP  13           HH2      TRP  13  -6.895   1.685   4.218
  124    H    ASP  14           H        ASP  14  -9.945   6.608  -1.808
  125    HA   ASP  14           HA       ASP  14 -11.724   5.951   0.264
  126   1HB   ASP  14          2HB       ASP  14 -12.193   7.519  -2.281
  127   2HB   ASP  14          1HB       ASP  14 -13.371   7.402  -0.977
  128    H    ALA  15           H        ALA  15 -11.546   4.793  -3.052
  129    HA   ALA  15           HA       ALA  15 -14.022   3.444  -3.172
  130   1HB   ALA  15          1HB       ALA  15 -12.610   3.807  -5.142
  131   2HB   ALA  15          2HB       ALA  15 -13.007   2.100  -4.945
  132   3HB   ALA  15          3HB       ALA  15 -11.410   2.692  -4.490
  133    H    ALA  16           H        ALA  16 -10.790   2.035  -2.500
  134    HA   ALA  16           HA       ALA  16 -11.659  -0.456  -1.574
  135   1HB   ALA  16          1HB       ALA  16  -9.461  -0.681  -0.556
  136   2HB   ALA  16          2HB       ALA  16  -9.196   1.057  -0.694
  137   3HB   ALA  16          3HB       ALA  16  -9.324   0.066  -2.147
  138    H    LYS  17           H        LYS  17 -11.304   2.601   0.118
  139    HA   LYS  17           HA       LYS  17 -11.776   1.623   2.747
  140   1HB   LYS  17          2HB       LYS  17 -10.627   3.744   2.282
  141   2HB   LYS  17          1HB       LYS  17 -12.112   4.409   1.621
  142   1HG   LYS  17          2HG       LYS  17 -13.124   4.567   3.715
  143   2HG   LYS  17          1HG       LYS  17 -12.014   3.406   4.446
  144   1HD   LYS  17          2HD       LYS  17 -11.580   5.747   5.147
  145   2HD   LYS  17          1HD       LYS  17 -10.199   4.992   4.350
  146   1HE   LYS  17          2HE       LYS  17 -10.473   7.271   3.568
  147   2HE   LYS  17          1HE       LYS  17 -10.807   6.146   2.254
  148   1HZ   LYS  17          1HZ       LYS  17 -12.824   7.574   3.901
  149   2HZ   LYS  17          2HZ       LYS  17 -13.188   6.445   2.698
  150   3HZ   LYS  17          3HZ       LYS  17 -12.431   7.901   2.290
  151    H    ALA  18           H        ALA  18 -13.900   2.756   0.171
  152    HA   ALA  18           HA       ALA  18 -16.301   2.723   1.728
  153   1HB   ALA  18          1HB       ALA  18 -17.461   2.787  -0.439
  154   2HB   ALA  18          2HB       ALA  18 -15.927   2.495  -1.262
  155   3HB   ALA  18          3HB       ALA  18 -16.170   3.986  -0.352
  156    H    GLN  19           H        GLN  19 -14.393   0.301   0.177
  157    HA   GLN  19           HA       GLN  19 -16.421  -1.780   0.350
  158   1HB   GLN  19          2HB       GLN  19 -13.456  -1.988  -0.262
  159   2HB   GLN  19          1HB       GLN  19 -14.644  -3.266  -0.473
  160   1HG   GLN  19          2HG       GLN  19 -15.749  -1.999  -2.209
  161   2HG   GLN  19          1HG       GLN  19 -14.649  -0.644  -1.960
  162   1HE2  GLN  19          1HE2      GLN  19 -12.314  -2.357  -1.581
  163   2HE2  GLN  19          2HE2      GLN  19 -11.911  -2.976  -3.140
  164    H    GLY  20           H        GLY  20 -13.967  -0.418   2.346
  165   1HA   GLY  20          2HA       GLY  20 -13.255  -0.958   4.484
  166   2HA   GLY  20          1HA       GLY  20 -14.371  -2.317   4.477
  167    H    ARG  21           H        ARG  21 -12.678  -2.613   1.700
  168    HA   ARG  21           HA       ARG  21 -10.435  -4.103   2.839
  169   1HB   ARG  21          2HB       ARG  21 -12.347  -5.642   2.680
  170   2HB   ARG  21          1HB       ARG  21 -12.521  -5.253   0.976
  171   1HG   ARG  21          2HG       ARG  21 -10.239  -6.183   0.597
  172   2HG   ARG  21          1HG       ARG  21 -10.230  -6.703   2.286
  173   1HD   ARG  21          2HD       ARG  21 -10.932  -8.560   0.954
  174   2HD   ARG  21          1HD       ARG  21 -12.339  -7.951   1.831
  175    HE   ARG  21           HE       ARG  21 -11.933  -6.974  -0.884
  176   1HH1  ARG  21          1HH1      ARG  21 -13.651  -9.072   1.241
  177   2HH1  ARG  21          2HH1      ARG  21 -14.929  -9.338   0.106
  178   1HH2  ARG  21          1HH2      ARG  21 -13.575  -7.325  -2.319
  179   2HH2  ARG  21          2HH2      ARG  21 -14.890  -8.364  -1.881
  180    H    PHE  22           H        PHE  22  -8.666  -4.198   1.529
  181    HA   PHE  22           HA       PHE  22  -8.819  -2.935  -1.134
  182   1HB   PHE  22          2HB       PHE  22  -7.374  -1.748   0.448
  183   2HB   PHE  22          1HB       PHE  22  -6.485  -3.227   0.783
  184    HD1  PHE  22           HD1      PHE  22  -7.185  -0.674  -1.795
  185    HD2  PHE  22           HD2      PHE  22  -4.694  -3.928  -0.624
  186    HE1  PHE  22           HE1      PHE  22  -5.608  -0.118  -3.595
  187    HE2  PHE  22           HE2      PHE  22  -3.119  -3.375  -2.426
  188    HZ   PHE  22           HZ       PHE  22  -3.571  -1.468  -3.915
  189    H    GLU  23           H        GLU  23  -8.952  -4.492  -2.685
  190    HA   GLU  23           HA       GLU  23  -7.088  -6.766  -2.463
  191   1HB   GLU  23          2HB       GLU  23  -8.676  -8.223  -3.570
  192   2HB   GLU  23          1HB       GLU  23  -9.388  -7.539  -2.122
  193   1HG   GLU  23          2HG       GLU  23  -9.928  -6.544  -4.917
  194   2HG   GLU  23          1HG       GLU  23 -10.930  -7.713  -4.066
  195    H    GLY  24           H        GLY  24  -5.495  -5.722  -3.653
  196   1HA   GLY  24          2HA       GLY  24  -4.238  -5.614  -5.559
  197   2HA   GLY  24          1HA       GLY  24  -5.506  -6.513  -6.360
  198    H    SER  25           H        SER  25  -4.075  -3.381  -5.863
  199    HA   SER  25           HA       SER  25  -5.901  -1.983  -7.604
  200   1HB   SER  25          2HB       SER  25  -3.067  -1.341  -6.721
  201   2HB   SER  25          1HB       SER  25  -4.030  -0.281  -7.747
  202    HG   SER  25           HG       SER  25  -4.758   0.487  -5.939
  203    H    ALA  26           H        ALA  26  -4.692  -0.892  -9.670
  204    HA   ALA  26           HA       ALA  26  -4.600  -2.796 -11.650
  205   1HB   ALA  26          1HB       ALA  26  -4.817  -0.402 -12.073
  206   2HB   ALA  26          2HB       ALA  26  -3.546  -1.110 -13.069
  207   3HB   ALA  26          3HB       ALA  26  -3.125  -0.163 -11.640
  208    H    VAL  27           H        VAL  27  -1.782  -1.444  -9.933
  209    HA   VAL  27           HA       VAL  27   0.154  -2.985 -11.341
  210    HB   VAL  27           HB       VAL  27   0.458  -1.721  -8.608
  211   1HG1  VAL  27          1HG1      VAL  27   2.500  -2.488 -10.703
  212   2HG1  VAL  27          2HG1      VAL  27   2.243  -3.283  -9.150
  213   3HG1  VAL  27          3HG1      VAL  27   2.849  -1.628  -9.201
  214   1HG2  VAL  27          1HG2      VAL  27  -0.353  -0.075 -10.233
  215   2HG2  VAL  27          2HG2      VAL  27   0.962  -0.499 -11.329
  216   3HG2  VAL  27          3HG2      VAL  27   1.319   0.253  -9.775
  217    H    ASP  28           H        ASP  28  -1.402  -3.408  -8.152
  218    HA   ASP  28           HA       ASP  28  -0.006  -5.757  -7.403
  219   1HB   ASP  28          2HB       ASP  28  -2.777  -4.862  -6.556
  220   2HB   ASP  28          1HB       ASP  28  -1.758  -6.027  -5.714
  221    H    LEU  29           H        LEU  29  -2.819  -5.262  -9.443
  222    HA   LEU  29           HA       LEU  29  -3.571  -8.006  -9.648
  223   1HB   LEU  29          2HB       LEU  29  -4.031  -5.675 -11.519
  224   2HB   LEU  29          1HB       LEU  29  -4.736  -7.265 -11.746
  225    HG   LEU  29           HG       LEU  29  -5.254  -5.449  -9.381
  226   1HD1  LEU  29          1HD1      LEU  29  -7.476  -5.155 -10.322
  227   2HD1  LEU  29          2HD1      LEU  29  -7.042  -6.156 -11.707
  228   3HD1  LEU  29          3HD1      LEU  29  -6.242  -4.604 -11.456
  229   1HD2  LEU  29          1HD2      LEU  29  -6.505  -8.100 -10.120
  230   2HD2  LEU  29          2HD2      LEU  29  -6.984  -7.066  -8.774
  231   3HD2  LEU  29          3HD2      LEU  29  -5.390  -7.819  -8.783
  232    H    ALA  30           H        ALA  30  -1.361  -5.907 -11.457
  233    HA   ALA  30           HA       ALA  30  -0.506  -7.776 -13.385
  234   1HB   ALA  30          1HB       ALA  30   0.041  -5.384 -13.493
  235   2HB   ALA  30          2HB       ALA  30   1.486  -6.388 -13.614
  236   3HB   ALA  30          3HB       ALA  30   1.107  -5.567 -12.100
  237    H    ASP  31           H        ASP  31   0.904  -6.995 -10.188
  238    HA   ASP  31           HA       ASP  31   2.758  -9.107 -10.075
  239   1HB   ASP  31          2HB       ASP  31   1.351  -7.463  -7.986
  240   2HB   ASP  31          1HB       ASP  31   2.361  -8.820  -7.503
  241    H    GLY  32           H        GLY  32  -0.699  -9.085  -9.604
  242   1HA   GLY  32          2HA       GLY  32  -2.106 -10.971  -9.517
  243   2HA   GLY  32          1HA       GLY  32  -0.710 -11.980  -9.176
  244    H    PHE  33           H        PHE  33   0.385 -10.750  -7.015
  245    HA   PHE  33           HA       PHE  33  -1.739 -10.783  -4.963
  246   1HB   PHE  33          2HB       PHE  33   1.163 -11.631  -4.686
  247   2HB   PHE  33          1HB       PHE  33  -0.006 -11.583  -3.371
  248    HD1  PHE  33           HD1      PHE  33  -2.135 -13.032  -3.664
  249    HD2  PHE  33           HD2      PHE  33   1.436 -13.587  -5.920
  250    HE1  PHE  33           HE1      PHE  33  -2.820 -15.336  -4.180
  251    HE2  PHE  33           HE2      PHE  33   0.754 -15.895  -6.436
  252    HZ   PHE  33           HZ       PHE  33  -1.378 -16.767  -5.565
  253    H    ILE  34           H        ILE  34  -1.621  -9.229  -3.311
  254    HA   ILE  34           HA       ILE  34  -0.938  -6.659  -4.087
  255    HB   ILE  34           HB       ILE  34  -1.249  -7.690  -1.255
  256   1HG1  ILE  34          2HG1      ILE  34  -3.278  -6.478  -3.163
  257   2HG1  ILE  34          1HG1      ILE  34  -3.192  -8.174  -2.700
  258   1HG2  ILE  34          1HG2      ILE  34  -1.511  -4.864  -2.303
  259   2HG2  ILE  34          2HG2      ILE  34  -0.168  -5.480  -1.341
  260   3HG2  ILE  34          3HG2      ILE  34  -1.783  -5.394  -0.641
  261   1HD1  ILE  34          1HD1      ILE  34  -3.768  -5.879  -0.837
  262   2HD1  ILE  34          2HD1      ILE  34  -3.725  -7.587  -0.403
  263   3HD1  ILE  34          3HD1      ILE  34  -4.958  -6.990  -1.514
  264    H    HIS  35           H        HIS  35   1.031  -5.800  -4.458
  265    HA   HIS  35           HA       HIS  35   3.352  -6.834  -3.016
  266   1HB   HIS  35          2HB       HIS  35   4.739  -5.721  -4.619
  267   2HB   HIS  35          1HB       HIS  35   3.435  -6.494  -5.506
  268    HD1  HIS  35           HD1      HIS  35   5.079  -3.274  -4.977
  269    HD2  HIS  35           HD2      HIS  35   1.438  -4.607  -6.465
  270    HE1  HIS  35           HE1      HIS  35   4.123  -1.338  -6.240
  271    HE2  HIS  35           HE2      HIS  35   1.823  -2.091  -6.903
  272    H    LEU  36           H        LEU  36   3.721  -5.999  -1.095
  273    HA   LEU  36           HA       LEU  36   2.891  -3.289  -0.424
  274   1HB   LEU  36          2HB       LEU  36   4.086  -5.495   1.263
  275   2HB   LEU  36          1HB       LEU  36   3.443  -3.983   1.880
  276    HG   LEU  36           HG       LEU  36   1.752  -5.937   0.322
  277   1HD1  LEU  36          1HD1      LEU  36   0.869  -6.681   2.512
  278   2HD1  LEU  36          2HD1      LEU  36   2.172  -5.792   3.300
  279   3HD1  LEU  36          3HD1      LEU  36   2.546  -7.144   2.234
  280   1HD2  LEU  36          1HD2      LEU  36   0.916  -3.646   0.443
  281   2HD2  LEU  36          2HD2      LEU  36   1.046  -3.683   2.204
  282   3HD2  LEU  36          3HD2      LEU  36  -0.097  -4.743   1.380
  283    H    SER  37           H        SER  37   4.792  -2.902  -2.178
  284    HA   SER  37           HA       SER  37   7.471  -3.034  -1.662
  285   1HB   SER  37          2HB       SER  37   6.050  -0.648  -2.883
  286   2HB   SER  37          1HB       SER  37   7.745  -1.079  -3.111
  287    HG   SER  37           HG       SER  37   7.165  -2.435  -4.602
  288    H    ALA  38           H        ALA  38   8.493  -2.564   0.188
  289    HA   ALA  38           HA       ALA  38   7.578  -0.292   1.816
  290   1HB   ALA  38          1HB       ALA  38   8.656  -1.407   3.695
  291   2HB   ALA  38          2HB       ALA  38   9.257  -2.668   2.618
  292   3HB   ALA  38          3HB       ALA  38   7.522  -2.488   2.885
  293    H    GLY  39           H        GLY  39   8.943   1.264   2.605
  294   1HA   GLY  39          2HA       GLY  39  10.755   2.648   2.780
  295   2HA   GLY  39          1HA       GLY  39  11.693   1.172   2.861
  296    H    GLU  40           H        GLU  40  13.193   0.896   1.352
  297    HA   GLU  40           HA       GLU  40  13.849   2.820  -0.552
  298   1HB   GLU  40          2HB       GLU  40  14.591  -0.120  -0.548
  299   2HB   GLU  40          1HB       GLU  40  15.401   1.129  -1.484
  300   1HG   GLU  40          2HG       GLU  40  16.132   2.221   0.564
  301   2HG   GLU  40          1HG       GLU  40  15.267   1.027   1.530
  302    H    GLN  41           H        GLN  41  12.187  -0.289  -1.030
  303    HA   GLN  41           HA       GLN  41  11.842  -0.122  -3.809
  304   1HB   GLN  41          2HB       GLN  41  10.222  -1.529  -1.680
  305   2HB   GLN  41          1HB       GLN  41   9.903  -1.713  -3.400
  306   1HG   GLN  41          2HG       GLN  41  12.136  -2.626  -3.738
  307   2HG   GLN  41          1HG       GLN  41  12.500  -2.400  -2.028
  308   1HE2  GLN  41          1HE2      GLN  41  11.666  -3.835  -0.534
  309   2HE2  GLN  41          2HE2      GLN  41  10.876  -5.303  -0.986
  310    H    ALA  42           H        ALA  42   9.809   1.090  -1.174
  311    HA   ALA  42           HA       ALA  42   7.603   1.930  -2.703
  312   1HB   ALA  42          1HB       ALA  42   7.526   1.759  -0.269
  313   2HB   ALA  42          2HB       ALA  42   7.061   3.378  -0.790
  314   3HB   ALA  42          3HB       ALA  42   8.669   3.093  -0.124
  315    H    GLN  43           H        GLN  43  10.356   3.883  -1.500
  316    HA   GLN  43           HA       GLN  43   9.609   6.255  -2.811
  317   1HB   GLN  43          2HB       GLN  43  11.166   6.299  -0.957
  318   2HB   GLN  43          1HB       GLN  43  12.329   5.336  -1.859
  319   1HG   GLN  43          2HG       GLN  43  12.960   7.696  -1.787
  320   2HG   GLN  43          1HG       GLN  43  12.660   7.151  -3.435
  321   1HE2  GLN  43          1HE2      GLN  43  11.536   9.168  -0.845
  322   2HE2  GLN  43          2HE2      GLN  43  10.396  10.065  -1.774
  323    H    GLU  44           H        GLU  44  11.971   3.750  -3.827
  324    HA   GLU  44           HA       GLU  44  12.767   5.157  -6.145
  325   1HB   GLU  44          2HB       GLU  44  12.986   2.213  -5.495
  326   2HB   GLU  44          1HB       GLU  44  13.742   2.976  -6.889
  327   1HG   GLU  44          2HG       GLU  44  14.886   4.528  -5.217
  328   2HG   GLU  44          1HG       GLU  44  14.348   3.397  -3.976
  329    H    THR  45           H        THR  45  10.012   3.094  -5.586
  330    HA   THR  45           HA       THR  45   9.344   2.936  -8.401
  331    HB   THR  45           HB       THR  45   7.641   2.385  -5.954
  332    HG1  THR  45           HG1      THR  45   9.070   0.752  -6.039
  333   1HG2  THR  45          1HG2      THR  45   7.078   1.807  -8.872
  334   2HG2  THR  45          2HG2      THR  45   6.223   2.969  -7.856
  335   3HG2  THR  45          3HG2      THR  45   6.106   1.243  -7.514
  336    H    ALA  46           H        ALA  46   8.413   4.922  -5.628
  337    HA   ALA  46           HA       ALA  46   6.385   6.420  -6.897
  338   1HB   ALA  46          1HB       ALA  46   6.640   7.991  -5.039
  339   2HB   ALA  46          2HB       ALA  46   8.145   7.199  -4.569
  340   3HB   ALA  46          3HB       ALA  46   6.616   6.322  -4.473
  341    H    ALA  47           H        ALA  47   9.861   7.143  -6.453
  342    HA   ALA  47           HA       ALA  47   9.789   9.760  -7.474
  343   1HB   ALA  47          1HB       ALA  47  11.608   8.903  -6.083
  344   2HB   ALA  47          2HB       ALA  47  12.216   9.599  -7.585
  345   3HB   ALA  47          3HB       ALA  47  12.121   7.847  -7.400
  346    H    LYS  48           H        LYS  48   9.910   6.700  -9.156
  347    HA   LYS  48           HA       LYS  48  10.541   8.032 -11.687
  348   1HB   LYS  48          2HB       LYS  48  10.514   5.163 -10.793
  349   2HB   LYS  48          1HB       LYS  48  10.485   5.571 -12.493
  350   1HG   LYS  48          2HG       LYS  48  12.746   5.141 -11.913
  351   2HG   LYS  48          1HG       LYS  48  12.589   6.884 -12.146
  352   1HD   LYS  48          2HD       LYS  48  12.392   7.158  -9.687
  353   2HD   LYS  48          1HD       LYS  48  12.643   5.418  -9.498
  354   1HE   LYS  48          2HE       LYS  48  14.838   5.667 -10.631
  355   2HE   LYS  48          1HE       LYS  48  14.580   7.411 -10.683
  356   1HZ   LYS  48          1HZ       LYS  48  14.778   5.752  -8.226
  357   2HZ   LYS  48          2HZ       LYS  48  14.493   7.421  -8.258
  358   3HZ   LYS  48          3HZ       LYS  48  15.961   6.802  -8.820
  359    H    TRP  49           H        TRP  49   8.124   5.725 -10.415
  360    HA   TRP  49           HA       TRP  49   6.528   5.930 -12.800
  361   1HB   TRP  49          2HB       TRP  49   5.944   4.524 -10.179
  362   2HB   TRP  49          1HB       TRP  49   5.038   4.323 -11.675
  363    HD1  TRP  49           HD1      TRP  49   8.652   3.735 -10.371
  364    HE1  TRP  49           HE1      TRP  49   9.623   1.701 -11.604
  365    HE3  TRP  49           HE3      TRP  49   4.766   2.783 -13.559
  366    HZ2  TRP  49           HZ2      TRP  49   8.845  -0.084 -13.649
  367    HZ3  TRP  49           HZ3      TRP  49   4.959   0.889 -15.120
  368    HH2  TRP  49           HH2      TRP  49   6.959  -0.515 -15.163
  369    H    PHE  50           H        PHE  50   6.313   7.257  -9.520
  370    HA   PHE  50           HA       PHE  50   3.662   8.376 -10.190
  371   1HB   PHE  50          2HB       PHE  50   4.891   7.769  -7.493
  372   2HB   PHE  50          1HB       PHE  50   3.328   8.548  -7.725
  373    HD1  PHE  50           HD2      PHE  50   1.467   7.280  -8.808
  374    HD2  PHE  50           HD1      PHE  50   5.124   5.401  -7.680
  375    HE1  PHE  50           HE2      PHE  50   0.374   5.081  -8.943
  376    HE2  PHE  50           HE1      PHE  50   4.030   3.198  -7.817
  377    HZ   PHE  50           HZ       PHE  50   1.655   3.037  -8.447
  378    H    ARG  51           H        ARG  51   6.688   9.471 -10.358
  379    HA   ARG  51           HA       ARG  51   6.720  11.820  -8.814
  380   1HB   ARG  51          2HB       ARG  51   8.390  12.672 -10.473
  381   2HB   ARG  51          1HB       ARG  51   8.769  11.092  -9.801
  382   1HG   ARG  51          2HG       ARG  51   8.016  10.008 -11.838
  383   2HG   ARG  51          1HG       ARG  51   7.524  11.565 -12.513
  384   1HD   ARG  51          2HD       ARG  51   9.769  12.320 -12.646
  385   2HD   ARG  51          1HD       ARG  51  10.353  10.997 -11.638
  386    HE   ARG  51           HE       ARG  51   9.159  10.336 -14.226
  387   1HH1  ARG  51          1HH1      ARG  51  11.972  10.624 -12.261
  388   2HH1  ARG  51          2HH1      ARG  51  12.958   9.705 -13.343
  389   1HH2  ARG  51          1HH2      ARG  51  10.428   9.152 -15.595
  390   2HH2  ARG  51          2HH2      ARG  51  12.096   8.893 -15.217
  391    H    GLY  52           H        GLY  52   5.945  13.859  -9.094
  392   1HA   GLY  52          2HA       GLY  52   4.994  15.676 -10.253
  393   2HA   GLY  52          1HA       GLY  52   4.637  14.611 -11.602
  394    H    GLN  53           H        GLN  53   3.404  12.633  -9.659
  395    HA   GLN  53           HA       GLN  53   0.738  13.784  -9.764
  396   1HB   GLN  53          2HB       GLN  53   1.711  11.014  -9.024
  397   2HB   GLN  53          1HB       GLN  53   0.015  11.486  -9.072
  398   1HG   GLN  53          2HG       GLN  53   0.202  11.969 -11.454
  399   2HG   GLN  53          1HG       GLN  53   1.913  11.543 -11.415
  400   1HE2  GLN  53          1HE2      GLN  53   2.497   9.389 -11.321
  401   2HE2  GLN  53          2HE2      GLN  53   1.376   8.104 -11.587
  402    H    ALA  54           H        ALA  54  -0.072  14.909  -8.111
  403    HA   ALA  54           HA       ALA  54   0.971  14.449  -5.390
  404   1HB   ALA  54          1HB       ALA  54   0.228  16.680  -4.867
  405   2HB   ALA  54          2HB       ALA  54  -0.603  16.812  -6.418
  406   3HB   ALA  54          3HB       ALA  54   1.159  16.724  -6.365
  407    H    ASN  55           H        ASN  55  -1.595  13.427  -7.149
  408    HA   ASN  55           HA       ASN  55  -3.680  13.898  -5.165
  409   1HB   ASN  55          2HB       ASN  55  -3.822  12.481  -7.837
  410   2HB   ASN  55          1HB       ASN  55  -5.195  12.935  -6.831
  411   1HD2  ASN  55          1HD2      ASN  55  -5.733  15.133  -6.645
  412   2HD2  ASN  55          2HD2      ASN  55  -5.173  16.299  -7.789
  413    H    LEU  56           H        LEU  56  -1.310  11.880  -4.915
  414    HA   LEU  56           HA       LEU  56  -2.920   9.487  -4.374
  415   1HB   LEU  56          2HB       LEU  56  -0.534   8.430  -4.409
  416   2HB   LEU  56          1HB       LEU  56  -1.399   8.744  -5.893
  417    HG   LEU  56           HG       LEU  56  -0.086  10.918  -6.041
  418   1HD1  LEU  56          1HD1      LEU  56   1.594   9.582  -3.917
  419   2HD1  LEU  56          2HD1      LEU  56   0.660  11.068  -3.733
  420   3HD1  LEU  56          3HD1      LEU  56   2.037  11.025  -4.832
  421   1HD2  LEU  56          1HD2      LEU  56   1.403   8.296  -6.190
  422   2HD2  LEU  56          2HD2      LEU  56   1.887   9.801  -6.977
  423   3HD2  LEU  56          3HD2      LEU  56   0.387   9.002  -7.448
  424    H    VAL  57           H        VAL  57  -2.307   8.157  -2.566
  425    HA   VAL  57           HA       VAL  57  -1.156   9.641  -0.289
  426    HB   VAL  57           HB       VAL  57  -3.444   7.657  -0.145
  427   1HG1  VAL  57          1HG1      VAL  57  -3.697   8.432   2.160
  428   2HG1  VAL  57          2HG1      VAL  57  -2.317   9.512   1.959
  429   3HG1  VAL  57          3HG1      VAL  57  -2.086   7.765   1.891
  430   1HG2  VAL  57          1HG2      VAL  57  -3.552  10.674  -0.008
  431   2HG2  VAL  57          2HG2      VAL  57  -4.902   9.584   0.312
  432   3HG2  VAL  57          3HG2      VAL  57  -4.195   9.660  -1.301
  433    H    LEU  58           H        LEU  58   0.202   8.498   1.067
  434    HA   LEU  58           HA       LEU  58   0.951   5.782   0.244
  435   1HB   LEU  58          2HB       LEU  58   2.800   7.289   0.357
  436   2HB   LEU  58          1HB       LEU  58   2.329   7.863   1.943
  437    HG   LEU  58           HG       LEU  58   3.042   4.966   1.675
  438   1HD1  LEU  58          1HD1      LEU  58   4.818   6.085   0.416
  439   2HD1  LEU  58          2HD1      LEU  58   5.419   5.450   1.947
  440   3HD1  LEU  58          3HD1      LEU  58   5.101   7.176   1.775
  441   1HD2  LEU  58          1HD2      LEU  58   3.967   5.350   3.924
  442   2HD2  LEU  58          2HD2      LEU  58   2.274   5.826   3.826
  443   3HD2  LEU  58          3HD2      LEU  58   3.537   7.057   3.806
  444    H    LEU  59           H        LEU  59   0.566   4.027   1.481
  445    HA   LEU  59           HA       LEU  59  -0.732   4.411   4.100
  446   1HB   LEU  59          2HB       LEU  59  -0.688   1.973   2.304
  447   2HB   LEU  59          1HB       LEU  59  -1.573   2.118   3.812
  448    HG   LEU  59           HG       LEU  59  -2.102   3.730   1.306
  449   1HD1  LEU  59          1HD1      LEU  59  -3.648   1.459   2.556
  450   2HD1  LEU  59          2HD1      LEU  59  -2.743   1.402   1.042
  451   3HD1  LEU  59          3HD1      LEU  59  -4.172   2.426   1.175
  452   1HD2  LEU  59          1HD2      LEU  59  -3.596   3.651   3.933
  453   2HD2  LEU  59          2HD2      LEU  59  -4.098   4.523   2.484
  454   3HD2  LEU  59          3HD2      LEU  59  -2.625   4.996   3.329
  455    H    ALA  60           H        ALA  60   0.282   3.795   5.923
  456    HA   ALA  60           HA       ALA  60   2.650   2.024   5.721
  457   1HB   ALA  60          1HB       ALA  60   2.166   4.258   7.700
  458   2HB   ALA  60          2HB       ALA  60   3.283   4.302   6.335
  459   3HB   ALA  60          3HB       ALA  60   3.569   3.189   7.672
  460    H    VAL  61           H        VAL  61   2.448   0.113   6.728
  461    HA   VAL  61           HA       VAL  61   0.578  -0.140   9.005
  462    HB   VAL  61           HB       VAL  61   0.788  -2.181   6.772
  463   1HG1  VAL  61          1HG1      VAL  61   0.150  -3.164   8.896
  464   2HG1  VAL  61          2HG1      VAL  61  -1.237  -3.149   7.808
  465   3HG1  VAL  61          3HG1      VAL  61  -1.124  -1.961   9.106
  466   1HG2  VAL  61          1HG2      VAL  61  -0.245  -0.182   5.871
  467   2HG2  VAL  61          2HG2      VAL  61  -1.368  -0.112   7.229
  468   3HG2  VAL  61          3HG2      VAL  61  -1.463  -1.443   6.075
  469    H    GLU  62           H        GLU  62   1.370  -1.346  10.697
  470    HA   GLU  62           HA       GLU  62   3.938  -2.638  10.516
  471   1HB   GLU  62          2HB       GLU  62   1.849  -2.670  12.712
  472   2HB   GLU  62          1HB       GLU  62   3.417  -3.452  12.840
  473   1HG   GLU  62          2HG       GLU  62   3.658  -1.429  13.975
  474   2HG   GLU  62          1HG       GLU  62   4.432  -1.156  12.417
  475    H    ALA  63           H        ALA  63   4.361  -4.719   9.996
  476    HA   ALA  63           HA       ALA  63   2.394  -6.278   8.732
  477   1HB   ALA  63          1HB       ALA  63   5.098  -7.187   9.717
  478   2HB   ALA  63          2HB       ALA  63   4.790  -6.371   8.185
  479   3HB   ALA  63          3HB       ALA  63   4.110  -7.971   8.483
  480    H    GLU  64           H        GLU  64   3.977  -6.792  11.899
  481    HA   GLU  64           HA       GLU  64   3.477  -8.086  13.694
  482   1HB   GLU  64          2HB       GLU  64   1.207  -7.097  13.533
  483   2HB   GLU  64          1HB       GLU  64   0.737  -8.382  12.432
  484   1HG   GLU  64          2HG       GLU  64   1.042 -10.037  14.182
  485   2HG   GLU  64          1HG       GLU  64   1.605  -8.789  15.289
  486    HA   PRO  65           HA       PRO  65   4.557 -12.187  12.247
  487   1HB   PRO  65          2HB       PRO  65   4.034 -13.602  14.562
  488   2HB   PRO  65          1HB       PRO  65   5.511 -12.680  14.263
  489   1HG   PRO  65          2HG       PRO  65   3.065 -11.886  15.798
  490   2HG   PRO  65          1HG       PRO  65   4.774 -11.622  16.197
  491   1HD   PRO  65          2HD       PRO  65   3.263  -9.651  15.176
  492   2HD   PRO  65          1HD       PRO  65   4.967  -9.826  14.722
  493    H    LEU  66           H        LEU  66   2.599 -11.989  10.856
  494    HA   LEU  66           HA       LEU  66   0.110 -13.143  11.640
  495   1HB   LEU  66          2HB       LEU  66   1.224 -12.744   8.858
  496   2HB   LEU  66          1HB       LEU  66  -0.457 -13.041   9.264
  497    HG   LEU  66           HG       LEU  66   1.130 -10.573  10.007
  498   1HD1  LEU  66          1HD1      LEU  66  -0.302  -9.419   8.404
  499   2HD1  LEU  66          2HD1      LEU  66  -1.076 -10.946   7.979
  500   3HD1  LEU  66          3HD1      LEU  66   0.632 -10.693   7.619
  501   1HD2  LEU  66          1HD2      LEU  66  -1.794 -11.206  10.439
  502   2HD2  LEU  66          2HD2      LEU  66  -1.004  -9.667  10.784
  503   3HD2  LEU  66          3HD2      LEU  66  -0.557 -11.109  11.693
  504    H    GLY  67           H        GLY  67   2.598 -14.325   9.373
  505   1HA   GLY  67          2HA       GLY  67   2.831 -16.924  10.250
  506   2HA   GLY  67          1HA       GLY  67   1.445 -16.937   9.168
  507    H    GLU  68           H        GLU  68   1.934 -17.513   7.135
  508    HA   GLU  68           HA       GLU  68   4.524 -16.638   6.010
  509   1HB   GLU  68          2HB       GLU  68   3.275 -19.380   5.669
  510   2HB   GLU  68          1HB       GLU  68   4.725 -18.814   4.846
  511   1HG   GLU  68          2HG       GLU  68   5.855 -18.565   7.007
  512   2HG   GLU  68          1HG       GLU  68   4.407 -19.142   7.829
  513    H    ASP  69           H        ASP  69   1.537 -15.847   5.754
  514    HA   ASP  69           HA       ASP  69   0.998 -16.289   2.950
  515   1HB   ASP  69          2HB       ASP  69  -0.856 -14.559   3.391
  516   2HB   ASP  69          1HB       ASP  69  -0.956 -16.102   4.230
  517    H    LEU  70           H        LEU  70   2.221 -13.588   4.900
  518    HA   LEU  70           HA       LEU  70   2.700 -11.934   2.583
  519   1HB   LEU  70          2HB       LEU  70   2.273 -10.873   4.723
  520   2HB   LEU  70          1HB       LEU  70   3.647 -11.691   5.443
  521    HG   LEU  70           HG       LEU  70   5.180 -10.420   3.993
  522   1HD1  LEU  70          1HD1      LEU  70   4.361  -8.566   2.635
  523   2HD1  LEU  70          2HD1      LEU  70   2.698  -9.016   3.010
  524   3HD1  LEU  70          3HD1      LEU  70   3.717 -10.107   2.070
  525   1HD2  LEU  70          1HD2      LEU  70   3.243  -8.674   5.517
  526   2HD2  LEU  70          2HD2      LEU  70   4.874  -8.220   5.024
  527   3HD2  LEU  70          3HD2      LEU  70   4.637  -9.520   6.191
  528    H    LYS  71           H        LYS  71   4.094 -12.771   1.153
  529    HA   LYS  71           HA       LYS  71   6.578 -14.031   2.055
  530   1HB   LYS  71          2HB       LYS  71   5.143 -13.925  -0.590
  531   2HB   LYS  71          1HB       LYS  71   6.815 -14.456  -0.486
  532   1HG   LYS  71          2HG       LYS  71   6.208 -16.295   0.936
  533   2HG   LYS  71          1HG       LYS  71   4.541 -15.718   1.039
  534   1HD   LYS  71          2HD       LYS  71   4.845 -17.603  -0.558
  535   2HD   LYS  71          1HD       LYS  71   4.186 -16.150  -1.303
  536   1HE   LYS  71          2HE       LYS  71   6.494 -15.581  -2.081
  537   2HE   LYS  71          1HE       LYS  71   7.038 -17.136  -1.451
  538   1HZ   LYS  71          1HZ       LYS  71   5.566 -18.254  -2.975
  539   2HZ   LYS  71          2HZ       LYS  71   6.562 -17.197  -3.840
  540   3HZ   LYS  71          3HZ       LYS  71   4.949 -16.784  -3.536
  541    H    TRP  72           H        TRP  72   8.163 -12.531   2.503
  542    HA   TRP  72           HA       TRP  72   8.707 -10.310   0.760
  543   1HB   TRP  72          2HB       TRP  72  10.282 -11.657   2.962
  544   2HB   TRP  72          1HB       TRP  72  10.989 -10.382   1.979
  545    HD1  TRP  72           HD1      TRP  72   8.367 -10.938   4.721
  546    HE1  TRP  72           HE1      TRP  72   7.736  -8.648   5.716
  547    HE3  TRP  72           HE3      TRP  72  10.837  -7.915   1.428
  548    HZ2  TRP  72           HZ2      TRP  72   8.217  -5.919   5.174
  549    HZ3  TRP  72           HZ3      TRP  72  10.700  -5.476   1.725
  550    HH2  TRP  72           HH2      TRP  72   9.418  -4.498   3.568
  551    H    GLU  73           H        GLU  73   8.568 -11.476  -1.226
  552    HA   GLU  73           HA       GLU  73  10.438 -13.652  -1.720
  553   1HB   GLU  73          2HB       GLU  73   8.088 -13.919  -2.305
  554   2HB   GLU  73          1HB       GLU  73   8.162 -12.517  -3.357
  555   1HG   GLU  73          2HG       GLU  73   9.674 -13.685  -4.857
  556   2HG   GLU  73          1HG       GLU  73   9.702 -15.077  -3.771
  557    H    ALA  74           H        ALA  74  12.380 -13.261  -2.553
  558    HA   ALA  74           HA       ALA  74  12.924 -10.837  -4.075
  559   1HB   ALA  74          1HB       ALA  74  14.767 -13.097  -3.277
  560   2HB   ALA  74          2HB       ALA  74  14.541 -11.587  -2.394
  561   3HB   ALA  74          3HB       ALA  74  15.260 -11.567  -4.005
  562    H    SER  75           H        SER  75  13.196 -10.742  -6.278
  563    HA   SER  75           HA       SER  75  13.334 -13.239  -7.809
  564   1HB   SER  75          2HB       SER  75  10.917 -12.801  -7.488
  565   2HB   SER  75          1HB       SER  75  11.113 -11.221  -8.243
  566    HG   SER  75           HG       SER  75  10.435 -12.595  -9.830
  567    H    ARG  76           H        ARG  76  13.185 -12.592 -10.296
  568    HA   ARG  76           HA       ARG  76  14.253 -11.669 -12.069
  569   1HB   ARG  76          2HB       ARG  76  14.166  -9.172 -10.359
  570   2HB   ARG  76          1HB       ARG  76  14.654  -9.194 -12.048
  571   1HG   ARG  76          2HG       ARG  76  12.455  -9.942 -12.721
  572   2HG   ARG  76          1HG       ARG  76  11.949 -10.063 -11.035
  573   1HD   ARG  76          2HD       ARG  76  12.195  -7.661 -10.757
  574   2HD   ARG  76          1HD       ARG  76  12.810  -7.510 -12.404
  575    HE   ARG  76           HE       ARG  76  10.395  -8.656 -12.768
  576   1HH1  ARG  76          1HH1      ARG  76  11.396  -5.860 -11.011
  577   2HH1  ARG  76          2HH1      ARG  76   9.901  -5.030 -11.280
  578   1HH2  ARG  76          1HH2      ARG  76   8.520  -7.574 -13.134
  579   2HH2  ARG  76          2HH2      ARG  76   8.289  -5.991 -12.476
  580    H    GLY  77           H        GLY  77  15.921  -9.787  -9.545
  581   1HA   GLY  77          2HA       GLY  77  18.277 -11.491  -9.676
  582   2HA   GLY  77          1HA       GLY  77  18.490  -9.882 -10.354
  583    H    GLY  78           H        GLY  78  16.313 -10.350  -7.697
  584   1HA   GLY  78          2HA       GLY  78  17.453 -10.159  -5.357
  585   2HA   GLY  78          1HA       GLY  78  18.040  -8.644  -6.031
  586    H    ALA  79           H        ALA  79  16.883  -7.590  -4.259
  587    HA   ALA  79           HA       ALA  79  15.175  -6.331  -3.446
  588   1HB   ALA  79          1HB       ALA  79  13.422  -5.593  -4.972
  589   2HB   ALA  79          2HB       ALA  79  13.884  -6.845  -6.124
  590   3HB   ALA  79          3HB       ALA  79  15.005  -5.537  -5.750
  591    H    ARG  80           H        ARG  80  14.109  -7.173  -1.775
  592    HA   ARG  80           HA       ARG  80  12.563  -9.610  -2.023
  593   1HB   ARG  80          2HB       ARG  80  13.289  -7.815   0.286
  594   2HB   ARG  80          1HB       ARG  80  12.116  -9.115   0.476
  595   1HG   ARG  80          2HG       ARG  80  13.736 -10.776  -0.035
  596   2HG   ARG  80          1HG       ARG  80  14.899  -9.567  -0.582
  597   1HD   ARG  80          2HD       ARG  80  15.325 -10.555   1.712
  598   2HD   ARG  80          1HD       ARG  80  15.288  -8.797   1.622
  599    HE   ARG  80           HE       ARG  80  13.122  -8.842   2.646
  600   1HH1  ARG  80          1HH1      ARG  80  14.717 -11.899   2.622
  601   2HH1  ARG  80          2HH1      ARG  80  13.869 -12.470   4.015
  602   1HH2  ARG  80          1HH2      ARG  80  12.042  -9.594   4.430
  603   2HH2  ARG  80          2HH2      ARG  80  12.354 -11.191   5.011
  604    H    PHE  81           H        PHE  81  10.776  -9.189  -3.270
  605    HA   PHE  81           HA       PHE  81   9.071  -6.913  -2.805
  606   1HB   PHE  81          2HB       PHE  81   8.530  -9.372  -4.497
  607   2HB   PHE  81          1HB       PHE  81   7.667  -7.843  -4.573
  608    HD1  PHE  81           HD1      PHE  81   8.846  -5.811  -5.446
  609    HD2  PHE  81           HD2      PHE  81  10.546  -9.710  -5.688
  610    HE1  PHE  81           HE1      PHE  81  10.398  -5.023  -7.186
  611    HE2  PHE  81           HE2      PHE  81  12.097  -8.928  -7.427
  612    HZ   PHE  81           HZ       PHE  81  12.029  -6.583  -8.177
  613    HA   PRO  82           HA       PRO  82   6.760  -9.127   0.420
  614   1HB   PRO  82          2HB       PRO  82   5.222  -6.633   0.640
  615   2HB   PRO  82          1HB       PRO  82   6.229  -7.432   1.848
  616   1HG   PRO  82          2HG       PRO  82   6.958  -5.111   0.671
  617   2HG   PRO  82          1HG       PRO  82   8.138  -6.331   1.183
  618   1HD   PRO  82          2HD       PRO  82   7.065  -5.765  -1.563
  619   2HD   PRO  82          1HD       PRO  82   8.731  -6.129  -1.059
  620    H    HIS  83           H        HIS  83   5.766 -10.497  -1.188
  621    HA   HIS  83           HA       HIS  83   3.267  -9.578  -2.391
  622   1HB   HIS  83          2HB       HIS  83   4.764 -12.199  -2.549
  623   2HB   HIS  83          1HB       HIS  83   3.164 -11.983  -3.247
  624    HD1  HIS  83           HD1      HIS  83   6.031 -12.495  -4.736
  625    HD2  HIS  83           HD2      HIS  83   3.766  -9.004  -4.620
  626    HE1  HIS  83           HE1      HIS  83   6.706 -11.184  -6.766
  627    HE2  HIS  83           HE2      HIS  83   5.194  -9.170  -6.771
  628    H    LEU  84           H        LEU  84   1.599  -9.402  -1.024
  629    HA   LEU  84           HA       LEU  84   1.210 -11.339   1.133
  630   1HB   LEU  84          2HB       LEU  84   0.973  -8.943   1.614
  631   2HB   LEU  84          1HB       LEU  84  -0.314  -8.820   0.431
  632    HG   LEU  84           HG       LEU  84  -1.729 -10.294   1.809
  633   1HD1  LEU  84          1HD1      LEU  84  -1.057 -10.902   4.077
  634   2HD1  LEU  84          2HD1      LEU  84   0.541 -10.209   3.798
  635   3HD1  LEU  84          3HD1      LEU  84   0.018 -11.621   2.879
  636   1HD2  LEU  84          1HD2      LEU  84  -0.588  -7.923   3.290
  637   2HD2  LEU  84          2HD2      LEU  84  -2.119  -8.715   3.660
  638   3HD2  LEU  84          3HD2      LEU  84  -1.904  -7.893   2.116
  639    H    TYR  85           H        TYR  85  -0.079 -13.052   0.936
  640    HA   TYR  85           HA       TYR  85  -1.718 -13.385  -1.444
  641   1HB   TYR  85          2HB       TYR  85  -0.941 -15.247   0.810
  642   2HB   TYR  85          1HB       TYR  85  -2.061 -15.716  -0.463
  643    HD1  TYR  85           HD2      TYR  85   1.129 -13.762  -0.674
  644    HD2  TYR  85           HD1      TYR  85  -0.946 -17.332  -1.724
  645    HE1  TYR  85           HE2      TYR  85   3.018 -14.441  -2.092
  646    HE2  TYR  85           HE1      TYR  85   0.944 -18.018  -3.138
  647    HH   TYR  85           HH       TYR  85   2.840 -16.975  -4.336
  648    H    ARG  86           H        ARG  86  -2.568 -11.550   0.855
  649    HA   ARG  86           HA       ARG  86  -5.279 -12.673   1.167
  650   1HB   ARG  86          2HB       ARG  86  -3.968 -11.078   3.369
  651   2HB   ARG  86          1HB       ARG  86  -5.441 -12.031   3.445
  652   1HG   ARG  86          2HG       ARG  86  -3.960 -14.065   3.056
  653   2HG   ARG  86          1HG       ARG  86  -2.595 -12.994   3.381
  654   1HD   ARG  86          2HD       ARG  86  -4.823 -13.820   5.228
  655   2HD   ARG  86          1HD       ARG  86  -3.087 -14.012   5.451
  656    HE   ARG  86           HE       ARG  86  -4.247 -11.318   5.417
  657   1HH1  ARG  86          1HH1      ARG  86  -2.509 -13.790   7.068
  658   2HH1  ARG  86          2HH1      ARG  86  -2.312 -12.846   8.503
  659   1HH2  ARG  86          1HH2      ARG  86  -3.944 -10.084   7.255
  660   2HH2  ARG  86          2HH2      ARG  86  -3.084 -10.761   8.587
  661    HA   PRO  87           HA       PRO  87  -6.581  -8.564  -0.185
  662   1HB   PRO  87          2HB       PRO  87  -9.098  -9.138   1.264
  663   2HB   PRO  87          1HB       PRO  87  -8.845  -8.799  -0.451
  664   1HG   PRO  87          2HG       PRO  87  -9.484 -11.262   0.407
  665   2HG   PRO  87          1HG       PRO  87  -8.376 -11.014  -0.956
  666   1HD   PRO  87          2HD       PRO  87  -7.741 -11.687   1.904
  667   2HD   PRO  87          1HD       PRO  87  -7.032 -12.336   0.408
  668    H    LEU  88           H        LEU  88  -5.726  -6.858   0.910
  669    HA   LEU  88           HA       LEU  88  -5.416  -6.948   3.759
  670   1HB   LEU  88          2HB       LEU  88  -3.855  -5.959   1.897
  671   2HB   LEU  88          1HB       LEU  88  -4.823  -4.513   2.097
  672    HG   LEU  88           HG       LEU  88  -3.258  -5.851   4.319
  673   1HD1  LEU  88          1HD1      LEU  88  -1.745  -4.964   2.648
  674   2HD1  LEU  88          2HD1      LEU  88  -1.700  -3.969   4.103
  675   3HD1  LEU  88          3HD1      LEU  88  -2.581  -3.411   2.680
  676   1HD2  LEU  88          1HD2      LEU  88  -4.627  -3.159   4.235
  677   2HD2  LEU  88          2HD2      LEU  88  -3.655  -3.792   5.565
  678   3HD2  LEU  88          3HD2      LEU  88  -5.176  -4.573   5.137
  679    H    LEU  89           H        LEU  89  -6.970  -6.375   5.161
  680    HA   LEU  89           HA       LEU  89  -9.268  -4.855   4.360
  681   1HB   LEU  89          2HB       LEU  89  -8.403  -5.647   7.147
  682   2HB   LEU  89          1HB       LEU  89  -9.998  -5.086   6.680
  683    HG   LEU  89           HG       LEU  89  -8.702  -7.690   5.854
  684   1HD1  LEU  89          1HD1      LEU  89 -10.502  -8.719   7.165
  685   2HD1  LEU  89          2HD1      LEU  89 -11.044  -7.118   7.673
  686   3HD1  LEU  89          3HD1      LEU  89  -9.455  -7.708   8.160
  687   1HD2  LEU  89          1HD2      LEU  89 -11.416  -6.577   5.135
  688   2HD2  LEU  89          2HD2      LEU  89 -10.849  -8.209   4.782
  689   3HD2  LEU  89          3HD2      LEU  89 -10.058  -6.821   4.036
  690    H    VAL  90           H        VAL  90  -9.815  -2.737   4.855
  691    HA   VAL  90           HA       VAL  90  -7.808  -0.816   5.261
  692    HB   VAL  90           HB       VAL  90 -10.787  -0.559   5.763
  693   1HG1  VAL  90          1HG1      VAL  90 -10.436   1.861   5.402
  694   2HG1  VAL  90          2HG1      VAL  90  -8.693   1.586   5.353
  695   3HG1  VAL  90          3HG1      VAL  90  -9.594   1.269   6.835
  696   1HG2  VAL  90          1HG2      VAL  90  -9.183   0.155   3.302
  697   2HG2  VAL  90          2HG2      VAL  90 -10.932   0.251   3.501
  698   3HG2  VAL  90          3HG2      VAL  90 -10.136  -1.317   3.486
  699    H    SER  91           H        SER  91  -9.827  -2.543   7.539
  700    HA   SER  91           HA       SER  91  -9.093  -1.033   9.853
  701   1HB   SER  91          2HB       SER  91 -10.084  -2.961  11.109
  702   2HB   SER  91          1HB       SER  91 -11.158  -2.294   9.882
  703    HG   SER  91           HG       SER  91 -10.456  -4.786  10.136
  704    H    GLU  92           H        GLU  92  -7.385  -3.353   8.014
  705    HA   GLU  92           HA       GLU  92  -5.604  -4.080  10.209
  706   1HB   GLU  92          2HB       GLU  92  -5.547  -4.749   7.252
  707   2HB   GLU  92          1HB       GLU  92  -4.306  -5.263   8.386
  708   1HG   GLU  92          2HG       GLU  92  -5.997  -6.485   9.672
  709   2HG   GLU  92          1HG       GLU  92  -7.225  -6.001   8.506
  710    H    VAL  93           H        VAL  93  -5.917  -1.622   7.855
  711    HA   VAL  93           HA       VAL  93  -3.160  -0.911   7.581
  712    HB   VAL  93           HB       VAL  93  -5.636   0.766   7.086
  713   1HG1  VAL  93          1HG1      VAL  93  -2.777   1.186   6.195
  714   2HG1  VAL  93          2HG1      VAL  93  -3.682   2.183   7.335
  715   3HG1  VAL  93          3HG1      VAL  93  -4.162   2.126   5.640
  716   1HG2  VAL  93          1HG2      VAL  93  -5.623  -1.262   5.733
  717   2HG2  VAL  93          2HG2      VAL  93  -3.987  -0.902   5.177
  718   3HG2  VAL  93          3HG2      VAL  93  -5.326   0.154   4.724
  719    H    THR  94           H        THR  94  -1.899   0.221   8.935
  720    HA   THR  94           HA       THR  94  -2.860   1.096  11.478
  721    HB   THR  94           HB       THR  94  -0.156   1.570  10.192
  722    HG1  THR  94           HG1      THR  94   0.133  -0.147  12.088
  723   1HG2  THR  94          1HG2      THR  94  -0.546   3.178  11.982
  724   2HG2  THR  94          2HG2      THR  94   0.628   1.969  12.503
  725   3HG2  THR  94          3HG2      THR  94  -1.039   1.880  13.070
  726    H    ARG  95           H        ARG  95  -1.205   2.981   8.902
  727    HA   ARG  95           HA       ARG  95  -2.869   5.306   9.516
  728   1HB   ARG  95          2HB       ARG  95  -0.913   6.755   9.952
  729   2HB   ARG  95          1HB       ARG  95  -1.069   5.482  11.156
  730   1HG   ARG  95          2HG       ARG  95   0.641   4.173   9.863
  731   2HG   ARG  95          1HG       ARG  95   0.888   5.609   8.869
  732   1HD   ARG  95          2HD       ARG  95   1.556   6.881  10.845
  733   2HD   ARG  95          1HD       ARG  95   1.255   5.478  11.869
  734    HE   ARG  95           HE       ARG  95   3.556   5.950  10.198
  735   1HH1  ARG  95          1HH1      ARG  95   1.692   3.554  11.820
  736   2HH1  ARG  95          2HH1      ARG  95   2.992   2.420  11.885
  737   1HH2  ARG  95          1HH2      ARG  95   5.227   4.523  10.320
  738   2HH2  ARG  95          2HH2      ARG  95   4.999   2.985  11.080
  739    H    GLU  96           H        GLU  96  -2.726   6.999   7.945
  740    HA   GLU  96           HA       GLU  96  -1.602   6.127   5.363
  741   1HB   GLU  96          2HB       GLU  96  -3.526   8.423   5.605
  742   2HB   GLU  96          1HB       GLU  96  -3.271   7.322   4.261
  743   1HG   GLU  96          2HG       GLU  96  -5.304   6.601   5.001
  744   2HG   GLU  96          1HG       GLU  96  -4.247   5.544   5.937
  745    H    ALA  97           H        ALA  97  -1.020   8.099   3.909
  746    HA   ALA  97           HA       ALA  97   0.076  10.378   5.351
  747   1HB   ALA  97          1HB       ALA  97   1.860   8.715   5.532
  748   2HB   ALA  97          2HB       ALA  97   2.348  10.065   4.506
  749   3HB   ALA  97          3HB       ALA  97   1.874   8.529   3.778
  750    H    ASP  98           H        ASP  98  -1.155  11.785   4.148
  751    HA   ASP  98           HA       ASP  98  -1.257  11.702   1.277
  752   1HB   ASP  98          2HB       ASP  98  -2.465  13.837   1.480
  753   2HB   ASP  98          1HB       ASP  98  -3.118  12.628   2.581
  754    H    LEU  99           H        LEU  99  -0.033  12.872  -0.200
  755    HA   LEU  99           HA       LEU  99   1.946  14.758   0.835
  756   1HB   LEU  99          2HB       LEU  99   3.789  13.693  -0.389
  757   2HB   LEU  99          1HB       LEU  99   3.152  12.681   0.889
  758    HG   LEU  99           HG       LEU  99   2.429  12.298  -2.027
  759   1HD1  LEU  99          1HD1      LEU  99   4.834  12.017  -1.774
  760   2HD1  LEU  99          2HD1      LEU  99   4.053  10.459  -2.042
  761   3HD1  LEU  99          3HD1      LEU  99   4.580  10.913  -0.421
  762   1HD2  LEU  99          1HD2      LEU  99   0.845  11.308  -0.449
  763   2HD2  LEU  99          2HD2      LEU  99   2.165  10.478   0.375
  764   3HD2  LEU  99          3HD2      LEU  99   1.758  10.055  -1.288
  765    H    ASP 100           H        ASP 100   1.038  16.470  -0.201
  766    HA   ASP 100           HA       ASP 100   0.668  16.446  -3.078
  767   1HB   ASP 100          2HB       ASP 100  -0.802  17.763  -1.525
  768   2HB   ASP 100          1HB       ASP 100   0.579  18.793  -1.163
  769    H    LEU 101           H        LEU 101   2.165  17.108  -4.559
  770    HA   LEU 101           HA       LEU 101   4.552  18.548  -3.771
  771   1HB   LEU 101          2HB       LEU 101   6.100  16.744  -4.340
  772   2HB   LEU 101          1HB       LEU 101   5.063  16.296  -3.000
  773    HG   LEU 101           HG       LEU 101   3.645  15.268  -5.094
  774   1HD1  LEU 101          1HD1      LEU 101   5.245  15.791  -6.783
  775   2HD1  LEU 101          2HD1      LEU 101   5.280  14.048  -6.519
  776   3HD1  LEU 101          3HD1      LEU 101   6.555  15.070  -5.848
  777   1HD2  LEU 101          1HD2      LEU 101   5.837  13.881  -3.557
  778   2HD2  LEU 101          2HD2      LEU 101   4.539  13.084  -4.444
  779   3HD2  LEU 101          3HD2      LEU 101   4.162  14.086  -3.042
  780    H    ASP 102           H        ASP 102   6.239  18.053  -5.796
  781    HA   ASP 102           HA       ASP 102   4.765  18.253  -8.327
  782   1HB   ASP 102          2HB       ASP 102   6.010  20.304  -8.966
  783   2HB   ASP 102          1HB       ASP 102   4.953  20.559  -7.580
  784    H    ALA 103           H        ALA 103   6.875  18.983 -10.003
  785    HA   ALA 103           HA       ALA 103   8.134  16.429 -10.314
  786   1HB   ALA 103          1HB       ALA 103   9.061  17.346 -12.360
  787   2HB   ALA 103          2HB       ALA 103   8.591  18.975 -11.869
  788   3HB   ALA 103          3HB       ALA 103   7.353  17.767 -12.217
  789    H    ASP 104           H        ASP 104   9.008  18.851  -8.304
  790    HA   ASP 104           HA       ASP 104  11.840  18.096  -8.336
  791   1HB   ASP 104          2HB       ASP 104  10.766  20.920  -8.082
  792   2HB   ASP 104          1HB       ASP 104  12.430  20.461  -7.735
  793    H    GLY 105           H        GLY 105   9.067  19.430  -6.601
  794   1HA   GLY 105          2HA       GLY 105   9.824  19.030  -3.969
  795   2HA   GLY 105          1HA       GLY 105   8.205  18.735  -4.587
  796    H    VAL 106           H        VAL 106   8.296  16.639  -6.136
  797    HA   VAL 106           HA       VAL 106   8.642  14.425  -6.433
  798    HB   VAL 106           HB       VAL 106  11.201  15.391  -5.291
  799   1HG1  VAL 106          1HG1      VAL 106  10.939  13.240  -4.095
  800   2HG1  VAL 106          2HG1      VAL 106  12.262  13.200  -5.258
  801   3HG1  VAL 106          3HG1      VAL 106  10.730  12.419  -5.643
  802   1HG2  VAL 106          1HG2      VAL 106  10.769  15.594  -7.655
  803   2HG2  VAL 106          2HG2      VAL 106  10.475  13.858  -7.784
  804   3HG2  VAL 106          3HG2      VAL 106  12.089  14.452  -7.390
  805    HA   PRO 107           HA       PRO 107   6.498  12.065  -3.379
  806   1HB   PRO 107          2HB       PRO 107   8.837  10.199  -3.728
  807   2HB   PRO 107          1HB       PRO 107   7.116   9.814  -3.568
  808   1HG   PRO 107          2HG       PRO 107   8.282   9.917  -5.976
  809   2HG   PRO 107          1HG       PRO 107   6.624  10.493  -5.733
  810   1HD   PRO 107          2HD       PRO 107   9.074  12.036  -6.288
  811   2HD   PRO 107          1HD       PRO 107   7.378  12.506  -6.491
  812    H    GLN 108           H        GLN 108   6.671  13.287  -1.533
  813    HA   GLN 108           HA       GLN 108   9.068  13.439   0.032
  814   1HB   GLN 108          2HB       GLN 108   6.226  14.323   0.589
  815   2HB   GLN 108          1HB       GLN 108   7.584  14.655   1.660
  816   1HG   GLN 108          2HG       GLN 108   7.426  15.561  -1.222
  817   2HG   GLN 108          1HG       GLN 108   6.967  16.549   0.166
  818   1HE2  GLN 108          1HE2      GLN 108   9.082  16.923  -1.842
  819   2HE2  GLN 108          2HE2      GLN 108  10.543  17.095  -0.946
  820    H    LEU 109           H        LEU 109   9.409  11.129   0.316
  821    HA   LEU 109           HA       LEU 109   7.658   9.841   2.296
  822   1HB   LEU 109          2HB       LEU 109   9.570   8.841   0.248
  823   2HB   LEU 109          1HB       LEU 109   9.384   7.881   1.705
  824    HG   LEU 109           HG       LEU 109   7.012   7.607   1.293
  825   1HD1  LEU 109          1HD1      LEU 109   7.414   9.339  -1.143
  826   2HD1  LEU 109          2HD1      LEU 109   6.515   9.768   0.314
  827   3HD1  LEU 109          3HD1      LEU 109   5.938   8.467  -0.726
  828   1HD2  LEU 109          1HD2      LEU 109   8.538   6.023   0.231
  829   2HD2  LEU 109          2HD2      LEU 109   8.616   7.048  -1.203
  830   3HD2  LEU 109          3HD2      LEU 109   7.095   6.279  -0.748
  831    H    GLY 110           H        GLY 110  10.644  11.476   2.145
  832   1HA   GLY 110          2HA       GLY 110  12.272  10.073   3.919
  833   2HA   GLY 110          1HA       GLY 110  12.334  11.807   3.666
  834    H    ASP 111           H        ASP 111   9.546  12.152   4.650
  835    HA   ASP 111           HA       ASP 111  10.153  12.102   7.510
  836   1HB   ASP 111          2HB       ASP 111   8.199  13.626   7.691
  837   2HB   ASP 111          1HB       ASP 111   9.436  14.221   6.588
  838    H    HIS 112           H        HIS 112   8.456  10.164   5.332
  839    HA   HIS 112           HA       HIS 112   6.452   9.324   7.317
  840   1HB   HIS 112          2HB       HIS 112   6.693   8.669   4.374
  841   2HB   HIS 112          1HB       HIS 112   5.421   8.067   5.429
  842    HD1  HIS 112           HD1      HIS 112   4.347  10.419   6.828
  843    HD2  HIS 112           HD2      HIS 112   5.682  10.651   2.903
  844    HE1  HIS 112           HE1      HIS 112   3.238  12.445   5.867
  845    HE2  HIS 112           HE2      HIS 112   4.276  12.714   3.598
  846    H    LEU 113           H        LEU 113   9.396   8.227   5.835
  847    HA   LEU 113           HA       LEU 113   8.925   5.431   6.431
  848   1HB   LEU 113          2HB       LEU 113  11.559   6.696   5.689
  849   2HB   LEU 113          1HB       LEU 113  11.111   5.008   5.554
  850    HG   LEU 113           HG       LEU 113  10.117   7.302   3.860
  851   1HD1  LEU 113          1HD1      LEU 113  11.694   4.828   3.154
  852   2HD1  LEU 113          2HD1      LEU 113  12.322   6.473   3.261
  853   3HD1  LEU 113          3HD1      LEU 113  11.137   6.063   2.023
  854   1HD2  LEU 113          1HD2      LEU 113   9.190   4.429   3.842
  855   2HD2  LEU 113          2HD2      LEU 113   8.781   5.647   2.632
  856   3HD2  LEU 113          3HD2      LEU 113   8.237   5.843   4.296
  857    H    ALA 114           H        ALA 114  10.360   4.171   7.824
  858    HA   ALA 114           HA       ALA 114  10.822   5.581  10.358
  859   1HB   ALA 114          1HB       ALA 114  10.776   3.366  11.388
  860   2HB   ALA 114          2HB       ALA 114  10.670   2.615   9.794
  861   3HB   ALA 114          3HB       ALA 114   9.347   3.620  10.384
  862    H    LEU 115           H        LEU 115  12.736   5.360   7.915
  863    HA   LEU 115           HA       LEU 115  14.964   3.830   8.930
  864   1HB   LEU 115          2HB       LEU 115  14.632   5.590   6.504
  865   2HB   LEU 115          1HB       LEU 115  16.164   4.850   6.924
  866    HG   LEU 115           HG       LEU 115  15.089   2.606   6.743
  867   1HD1  LEU 115          1HD1      LEU 115  12.932   2.397   5.615
  868   2HD1  LEU 115          2HD1      LEU 115  12.735   4.150   5.654
  869   3HD1  LEU 115          3HD1      LEU 115  12.774   3.231   7.160
  870   1HD2  LEU 115          1HD2      LEU 115  16.363   3.579   4.886
  871   2HD2  LEU 115          2HD2      LEU 115  14.883   4.307   4.257
  872   3HD2  LEU 115          3HD2      LEU 115  15.048   2.550   4.317
  873    H    GLU 116           H        GLU 116  15.707   4.734  10.827
  874    HA   GLU 116           HA       GLU 116  16.552   7.516  10.910
  875   1HB   GLU 116          2HB       GLU 116  16.764   5.233  12.882
  876   2HB   GLU 116          1HB       GLU 116  17.484   6.810  13.179
  877   1HG   GLU 116          2HG       GLU 116  15.294   7.858  13.095
  878   2HG   GLU 116          1HG       GLU 116  14.546   6.306  12.710
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1   9.240  -8.039   9.898
    2   2H    MET   1          2H        MET   1   9.544  -9.202  11.083
    3   3H    MET   1          3H        MET   1  10.829  -8.525  10.217
    4    HA   MET   1           HA       MET   1   9.061  -7.130  12.149
    5   1HB   MET   1          2HB       MET   1  12.022  -7.772  12.264
    6   2HB   MET   1          1HB       MET   1  11.133  -6.848  13.466
    7   1HG   MET   1          2HG       MET   1   9.802  -8.790  14.026
    8   2HG   MET   1          1HG       MET   1  10.598  -9.729  12.763
    9   1HE   MET   1          1HE       MET   1  11.988 -11.294  16.098
   10   2HE   MET   1          2HE       MET   1  11.155 -11.625  14.580
   11   3HE   MET   1          3HE       MET   1  10.366 -10.658  15.828
   12    H    THR   2           H        THR   2   8.526  -5.288  11.033
   13    HA   THR   2           HA       THR   2  10.267  -3.137  10.838
   14    HB   THR   2           HB       THR   2  11.388  -4.418   9.015
   15    HG1  THR   2           HG1      THR   2  11.797  -2.490   8.270
   16   1HG2  THR   2          1HG2      THR   2  10.256  -4.693   6.850
   17   2HG2  THR   2          2HG2      THR   2   8.762  -4.072   7.552
   18   3HG2  THR   2          3HG2      THR   2   9.434  -5.599   8.120
   19    H    LEU   3           H        LEU   3   9.303  -1.589   8.807
   20    HA   LEU   3           HA       LEU   3   6.370  -1.613   9.187
   21   1HB   LEU   3          2HB       LEU   3   8.195   0.755   8.719
   22   2HB   LEU   3          1HB       LEU   3   6.451   0.836   8.884
   23    HG   LEU   3           HG       LEU   3   8.375  -0.040  11.051
   24   1HD1  LEU   3          1HD1      LEU   3   7.770   2.068  12.148
   25   2HD1  LEU   3          2HD1      LEU   3   6.807   2.523  10.741
   26   3HD1  LEU   3          3HD1      LEU   3   8.556   2.344  10.594
   27   1HD2  LEU   3          1HD2      LEU   3   5.384   0.396  11.155
   28   2HD2  LEU   3          2HD2      LEU   3   6.423   0.018  12.529
   29   3HD2  LEU   3          3HD2      LEU   3   6.208  -1.163  11.236
   30    H    ILE   4           H        ILE   4   5.201  -1.959   7.398
   31    HA   ILE   4           HA       ILE   4   6.507  -1.705   4.768
   32    HB   ILE   4           HB       ILE   4   4.679  -3.162   3.926
   33   1HG1  ILE   4          2HG1      ILE   4   3.945  -3.383   6.861
   34   2HG1  ILE   4          1HG1      ILE   4   2.964  -2.646   5.601
   35   1HG2  ILE   4          1HG2      ILE   4   6.846  -4.097   4.574
   36   2HG2  ILE   4          2HG2      ILE   4   5.538  -5.234   4.893
   37   3HG2  ILE   4          3HG2      ILE   4   6.260  -4.328   6.223
   38   1HD1  ILE   4          1HD1      ILE   4   2.167  -4.866   6.194
   39   2HD1  ILE   4          2HD1      ILE   4   3.728  -5.553   5.746
   40   3HD1  ILE   4          3HD1      ILE   4   2.709  -4.801   4.520
   41    H    TYR   5           H        TYR   5   5.371  -0.761   2.988
   42    HA   TYR   5           HA       TYR   5   3.138   1.021   3.655
   43   1HB   TYR   5          2HB       TYR   5   5.749   2.015   2.472
   44   2HB   TYR   5          1HB       TYR   5   4.301   2.981   2.724
   45    HD1  TYR   5           HD2      TYR   5   7.138   1.322   4.384
   46    HD2  TYR   5           HD1      TYR   5   3.716   3.795   4.925
   47    HE1  TYR   5           HE2      TYR   5   7.927   1.919   6.635
   48    HE2  TYR   5           HE1      TYR   5   4.499   4.395   7.175
   49    HH   TYR   5           HH       TYR   5   5.976   3.473   8.926
   50    H    LYS   6           H        LYS   6   1.648   0.842   2.082
   51    HA   LYS   6           HA       LYS   6   2.579   0.297  -0.675
   52   1HB   LYS   6          2HB       LYS   6   1.105  -1.461   0.221
   53   2HB   LYS   6          1HB       LYS   6  -0.145  -0.261   0.533
   54   1HG   LYS   6          2HG       LYS   6  -0.477   0.126  -1.800
   55   2HG   LYS   6          1HG       LYS   6   0.956  -0.811  -2.223
   56   1HD   LYS   6          2HD       LYS   6  -0.167  -2.839  -1.297
   57   2HD   LYS   6          1HD       LYS   6  -1.618  -1.870  -1.031
   58   1HE   LYS   6          2HE       LYS   6  -1.929  -1.523  -3.363
   59   2HE   LYS   6          1HE       LYS   6  -0.323  -2.133  -3.738
   60   1HZ   LYS   6          1HZ       LYS   6  -1.054  -4.331  -2.969
   61   2HZ   LYS   6          2HZ       LYS   6  -1.956  -3.782  -4.291
   62   3HZ   LYS   6          3HZ       LYS   6  -2.615  -3.725  -2.734
   63    H    ILE   7           H        ILE   7   2.366   1.859  -2.130
   64    HA   ILE   7           HA       ILE   7   0.742   4.221  -1.498
   65    HB   ILE   7           HB       ILE   7   2.834   3.846  -3.659
   66   1HG1  ILE   7          2HG1      ILE   7   2.996   5.331  -1.017
   67   2HG1  ILE   7          1HG1      ILE   7   3.764   3.786  -1.363
   68   1HG2  ILE   7          1HG2      ILE   7   1.195   5.518  -4.310
   69   2HG2  ILE   7          2HG2      ILE   7   2.718   6.306  -3.893
   70   3HG2  ILE   7          3HG2      ILE   7   1.369   6.332  -2.756
   71   1HD1  ILE   7          1HD1      ILE   7   5.357   5.603  -1.487
   72   2HD1  ILE   7          2HD1      ILE   7   4.378   6.406  -2.713
   73   3HD1  ILE   7          3HD1      ILE   7   5.143   4.858  -3.071
   74    H    LEU   8           H        LEU   8  -1.051   4.749  -2.600
   75    HA   LEU   8           HA       LEU   8  -1.563   3.649  -5.258
   76   1HB   LEU   8          2HB       LEU   8  -3.699   2.736  -4.749
   77   2HB   LEU   8          1HB       LEU   8  -2.568   2.059  -3.596
   78    HG   LEU   8           HG       LEU   8  -4.501   4.316  -2.999
   79   1HD1  LEU   8          1HD1      LEU   8  -5.679   2.221  -3.401
   80   2HD1  LEU   8          2HD1      LEU   8  -5.741   2.661  -1.696
   81   3HD1  LEU   8          3HD1      LEU   8  -4.637   1.395  -2.240
   82   1HD2  LEU   8          1HD2      LEU   8  -3.905   3.891  -0.647
   83   2HD2  LEU   8          2HD2      LEU   8  -2.524   4.439  -1.594
   84   3HD2  LEU   8          3HD2      LEU   8  -2.681   2.734  -1.175
   85    H    SER   9           H        SER   9  -3.708   4.634  -6.140
   86    HA   SER   9           HA       SER   9  -3.480   7.493  -5.835
   87   1HB   SER   9          2HB       SER   9  -5.079   7.662  -7.642
   88   2HB   SER   9          1HB       SER   9  -3.930   6.388  -8.043
   89    HG   SER   9           HG       SER   9  -5.893   5.532  -8.461
   90    H    ARG  10           H        ARG  10  -5.064   8.934  -5.117
   91    HA   ARG  10           HA       ARG  10  -6.573   8.250  -2.877
   92   1HB   ARG  10          2HB       ARG  10  -5.893  10.560  -3.441
   93   2HB   ARG  10          1HB       ARG  10  -7.036  10.566  -4.776
   94   1HG   ARG  10          2HG       ARG  10  -7.958  11.772  -2.904
   95   2HG   ARG  10          1HG       ARG  10  -8.890  10.299  -3.170
   96   1HD   ARG  10          2HD       ARG  10  -7.685   9.201  -1.337
   97   2HD   ARG  10          1HD       ARG  10  -6.726  10.660  -1.087
   98    HE   ARG  10           HE       ARG  10  -9.409  11.372  -0.884
   99   1HH1  ARG  10          1HH1      ARG  10  -7.129   9.426   0.811
  100   2HH1  ARG  10          2HH1      ARG  10  -7.915   9.643   2.335
  101   1HH2  ARG  10          1HH2      ARG  10 -10.406  11.634   1.071
  102   2HH2  ARG  10          2HH2      ARG  10  -9.749  10.866   2.478
  103    H    ALA  11           H        ALA  11  -7.502   8.363  -6.278
  104    HA   ALA  11           HA       ALA  11 -10.259   8.034  -6.069
  105   1HB   ALA  11          1HB       ALA  11 -10.154   7.080  -8.327
  106   2HB   ALA  11          2HB       ALA  11  -8.405   6.902  -8.170
  107   3HB   ALA  11          3HB       ALA  11  -9.131   8.510  -8.179
  108    H    GLU  12           H        GLU  12  -7.732   5.509  -6.256
  109    HA   GLU  12           HA       GLU  12  -9.551   3.341  -5.928
  110   1HB   GLU  12          2HB       GLU  12  -6.572   3.629  -5.857
  111   2HB   GLU  12          1HB       GLU  12  -7.296   2.142  -5.260
  112   1HG   GLU  12          2HG       GLU  12  -7.758   3.292  -8.009
  113   2HG   GLU  12          1HG       GLU  12  -6.592   2.026  -7.625
  114    H    TRP  13           H        TRP  13  -7.524   5.150  -3.623
  115    HA   TRP  13           HA       TRP  13  -7.958   3.438  -1.428
  116   1HB   TRP  13          2HB       TRP  13  -6.152   5.054  -1.398
  117   2HB   TRP  13          1HB       TRP  13  -7.297   6.391  -1.480
  118    HD1  TRP  13           HD1      TRP  13  -7.392   7.544   0.791
  119    HE1  TRP  13           HE1      TRP  13  -7.426   6.800   3.259
  120    HE3  TRP  13           HE3      TRP  13  -6.954   2.495   0.115
  121    HZ2  TRP  13           HZ2      TRP  13  -7.299   4.385   4.714
  122    HZ3  TRP  13           HZ3      TRP  13  -6.923   1.036   2.098
  123    HH2  TRP  13           HH2      TRP  13  -7.091   1.964   4.351
  124    H    ASP  14           H        ASP  14  -9.795   6.265  -2.568
  125    HA   ASP  14           HA       ASP  14 -11.566   6.416  -0.371
  126   1HB   ASP  14          2HB       ASP  14 -11.192   8.034  -2.431
  127   2HB   ASP  14          1HB       ASP  14 -12.494   7.095  -3.148
  128    H    ALA  15           H        ALA  15 -11.745   4.668  -3.450
  129    HA   ALA  15           HA       ALA  15 -14.287   3.497  -3.097
  130   1HB   ALA  15          1HB       ALA  15 -13.631   1.984  -4.892
  131   2HB   ALA  15          2HB       ALA  15 -11.947   2.475  -4.706
  132   3HB   ALA  15          3HB       ALA  15 -13.147   3.640  -5.263
  133    H    ALA  16           H        ALA  16 -11.020   2.224  -2.407
  134    HA   ALA  16           HA       ALA  16 -11.785  -0.255  -1.322
  135   1HB   ALA  16          1HB       ALA  16  -9.470   0.341  -1.941
  136   2HB   ALA  16          2HB       ALA  16  -9.581  -0.327  -0.314
  137   3HB   ALA  16          3HB       ALA  16  -9.387   1.412  -0.542
  138    H    LYS  17           H        LYS  17 -11.377   2.910   0.182
  139    HA   LYS  17           HA       LYS  17 -11.903   2.241   2.851
  140   1HB   LYS  17          2HB       LYS  17 -10.991   4.391   2.274
  141   2HB   LYS  17          1HB       LYS  17 -12.380   4.773   1.270
  142   1HG   LYS  17          2HG       LYS  17 -13.797   4.929   3.236
  143   2HG   LYS  17          1HG       LYS  17 -12.446   4.451   4.269
  144   1HD   LYS  17          2HD       LYS  17 -12.840   6.899   4.270
  145   2HD   LYS  17          1HD       LYS  17 -11.231   6.460   3.698
  146   1HE   LYS  17          2HE       LYS  17 -12.123   8.203   2.287
  147   2HE   LYS  17          1HE       LYS  17 -12.036   6.705   1.365
  148   1HZ   LYS  17          1HZ       LYS  17 -14.425   6.390   1.796
  149   2HZ   LYS  17          2HZ       LYS  17 -14.107   7.812   0.937
  150   3HZ   LYS  17          3HZ       LYS  17 -14.474   7.885   2.586
  151    H    ALA  18           H        ALA  18 -14.118   3.215   0.237
  152    HA   ALA  18           HA       ALA  18 -16.524   3.103   1.699
  153   1HB   ALA  18          1HB       ALA  18 -17.630   2.974  -0.476
  154   2HB   ALA  18          2HB       ALA  18 -16.091   2.586  -1.247
  155   3HB   ALA  18          3HB       ALA  18 -16.331   4.167  -0.502
  156    H    GLN  19           H        GLN  19 -14.750   0.623  -0.081
  157    HA   GLN  19           HA       GLN  19 -16.653  -1.474   0.349
  158   1HB   GLN  19          2HB       GLN  19 -13.711  -1.587  -0.367
  159   2HB   GLN  19          1HB       GLN  19 -14.810  -2.958  -0.414
  160   1HG   GLN  19          2HG       GLN  19 -16.078  -1.970  -2.182
  161   2HG   GLN  19          1HG       GLN  19 -15.167  -0.465  -2.065
  162   1HE2  GLN  19          1HE2      GLN  19 -13.048  -0.406  -2.860
  163   2HE2  GLN  19          2HE2      GLN  19 -12.438  -1.610  -3.935
  164    H    GLY  20           H        GLY  20 -14.036  -0.128   2.214
  165   1HA   GLY  20          2HA       GLY  20 -13.251  -0.663   4.332
  166   2HA   GLY  20          1HA       GLY  20 -14.436  -1.962   4.413
  167    H    ARG  21           H        ARG  21 -12.736  -2.156   1.553
  168    HA   ARG  21           HA       ARG  21 -10.619  -3.909   2.572
  169   1HB   ARG  21          2HB       ARG  21 -12.831  -4.821   0.705
  170   2HB   ARG  21          1HB       ARG  21 -11.353  -5.727   0.994
  171   1HG   ARG  21          2HG       ARG  21 -11.943  -6.104   3.277
  172   2HG   ARG  21          1HG       ARG  21 -13.314  -4.999   3.163
  173   1HD   ARG  21          2HD       ARG  21 -13.937  -7.419   3.069
  174   2HD   ARG  21          1HD       ARG  21 -14.477  -6.479   1.679
  175    HE   ARG  21           HE       ARG  21 -12.056  -7.532   0.931
  176   1HH1  ARG  21          1HH1      ARG  21 -15.042  -8.843   2.044
  177   2HH1  ARG  21          2HH1      ARG  21 -14.885 -10.281   1.096
  178   1HH2  ARG  21          1HH2      ARG  21 -11.872  -9.358  -0.291
  179   2HH2  ARG  21          2HH2      ARG  21 -13.118 -10.560  -0.223
  180    H    PHE  22           H        PHE  22  -8.797  -3.706   1.321
  181    HA   PHE  22           HA       PHE  22  -9.091  -2.705  -1.425
  182   1HB   PHE  22          2HB       PHE  22  -7.428  -1.553   0.079
  183   2HB   PHE  22          1HB       PHE  22  -6.496  -3.049   0.111
  184    HD1  PHE  22           HD1      PHE  22  -8.079  -0.765  -2.381
  185    HD2  PHE  22           HD2      PHE  22  -4.724  -3.219  -1.426
  186    HE1  PHE  22           HE1      PHE  22  -6.994  -0.094  -4.478
  187    HE2  PHE  22           HE2      PHE  22  -3.644  -2.547  -3.525
  188    HZ   PHE  22           HZ       PHE  22  -4.773  -0.985  -5.055
  189    H    GLU  23           H        GLU  23  -9.664  -4.420  -2.609
  190    HA   GLU  23           HA       GLU  23  -8.449  -7.016  -2.303
  191   1HB   GLU  23          2HB       GLU  23 -10.328  -5.974  -4.442
  192   2HB   GLU  23          1HB       GLU  23  -9.890  -7.659  -4.197
  193   1HG   GLU  23          2HG       GLU  23 -11.397  -5.921  -2.245
  194   2HG   GLU  23          1HG       GLU  23 -12.096  -7.158  -3.290
  195    H    GLY  24           H        GLY  24  -7.964  -8.048  -4.680
  196   1HA   GLY  24          2HA       GLY  24  -5.459  -6.975  -5.439
  197   2HA   GLY  24          1HA       GLY  24  -6.327  -8.249  -6.277
  198    H    SER  25           H        SER  25  -5.138  -5.146  -6.566
  199    HA   SER  25           HA       SER  25  -7.027  -4.074  -8.446
  200   1HB   SER  25          2HB       SER  25  -5.331  -2.396  -8.909
  201   2HB   SER  25          1HB       SER  25  -5.367  -2.686  -7.169
  202    HG   SER  25           HG       SER  25  -3.406  -3.466  -7.253
  203    H    ALA  26           H        ALA  26  -5.819  -3.377 -10.718
  204    HA   ALA  26           HA       ALA  26  -5.625  -5.625 -12.339
  205   1HB   ALA  26          1HB       ALA  26  -4.640  -4.157 -14.026
  206   2HB   ALA  26          2HB       ALA  26  -4.309  -2.942 -12.791
  207   3HB   ALA  26          3HB       ALA  26  -5.974  -3.351 -13.199
  208    H    VAL  27           H        VAL  27  -3.099  -3.945 -10.536
  209    HA   VAL  27           HA       VAL  27  -0.925  -5.472 -11.650
  210    HB   VAL  27           HB       VAL  27  -0.974  -3.727  -9.177
  211   1HG1  VAL  27          1HG1      VAL  27   1.461  -3.596  -9.470
  212   2HG1  VAL  27          2HG1      VAL  27   1.358  -4.731 -10.817
  213   3HG1  VAL  27          3HG1      VAL  27   0.929  -5.254  -9.189
  214   1HG2  VAL  27          1HG2      VAL  27  -0.192  -3.037 -12.015
  215   2HG2  VAL  27          2HG2      VAL  27  -0.045  -1.972 -10.616
  216   3HG2  VAL  27          3HG2      VAL  27  -1.638  -2.482 -11.172
  217    H    ASP  28           H        ASP  28  -2.636  -5.451  -8.513
  218    HA   ASP  28           HA       ASP  28  -1.115  -7.484  -7.294
  219   1HB   ASP  28          2HB       ASP  28  -4.000  -6.734  -6.759
  220   2HB   ASP  28          1HB       ASP  28  -2.966  -7.675  -5.689
  221    H    LEU  29           H        LEU  29  -4.151  -7.668  -9.173
  222    HA   LEU  29           HA       LEU  29  -4.351 -10.514  -8.996
  223   1HB   LEU  29          2HB       LEU  29  -5.650  -8.545 -10.883
  224   2HB   LEU  29          1HB       LEU  29  -5.994 -10.265 -10.894
  225    HG   LEU  29           HG       LEU  29  -6.526  -8.365  -8.602
  226   1HD1  LEU  29          1HD1      LEU  29  -8.405  -9.779 -10.498
  227   2HD1  LEU  29          2HD1      LEU  29  -8.078  -8.046 -10.437
  228   3HD1  LEU  29          3HD1      LEU  29  -8.889  -8.837  -9.088
  229   1HD2  LEU  29          1HD2      LEU  29  -7.099 -11.325  -8.840
  230   2HD2  LEU  29          2HD2      LEU  29  -7.628 -10.274  -7.525
  231   3HD2  LEU  29          3HD2      LEU  29  -5.909 -10.577  -7.773
  232    H    ALA  30           H        ALA  30  -2.713  -8.332 -11.216
  233    HA   ALA  30           HA       ALA  30  -2.217 -10.027 -13.366
  234   1HB   ALA  30          1HB       ALA  30  -1.597  -7.650 -13.340
  235   2HB   ALA  30          2HB       ALA  30  -0.239  -8.670 -13.816
  236   3HB   ALA  30          3HB       ALA  30  -0.310  -7.999 -12.186
  237    H    ASP  31           H        ASP  31  -0.233  -9.597 -10.422
  238    HA   ASP  31           HA       ASP  31   1.368 -11.934 -10.953
  239   1HB   ASP  31          2HB       ASP  31   0.999 -10.339  -8.402
  240   2HB   ASP  31          1HB       ASP  31   2.235 -11.567  -8.664
  241    H    GLY  32           H        GLY  32  -1.596 -11.287  -9.206
  242   1HA   GLY  32          2HA       GLY  32  -3.185 -13.053  -8.774
  243   2HA   GLY  32          1HA       GLY  32  -1.841 -14.165  -8.564
  244    H    PHE  33           H        PHE  33  -0.672 -11.680  -7.027
  245    HA   PHE  33           HA       PHE  33  -2.122 -11.958  -4.506
  246   1HB   PHE  33          2HB       PHE  33   0.283 -12.221  -3.432
  247   2HB   PHE  33          1HB       PHE  33  -0.601 -13.626  -4.013
  248    HD1  PHE  33           HD2      PHE  33   2.016 -11.171  -5.011
  249    HD2  PHE  33           HD1      PHE  33   0.326 -15.034  -5.621
  250    HE1  PHE  33           HE2      PHE  33   3.883 -11.752  -6.501
  251    HE2  PHE  33           HE1      PHE  33   2.195 -15.619  -7.109
  252    HZ   PHE  33           HZ       PHE  33   3.976 -13.978  -7.553
  253    H    ILE  34           H        ILE  34  -1.587 -10.317  -2.930
  254    HA   ILE  34           HA       ILE  34  -1.479  -7.790  -4.231
  255    HB   ILE  34           HB       ILE  34  -1.598  -8.498  -1.297
  256   1HG1  ILE  34          2HG1      ILE  34  -3.717  -7.627  -3.286
  257   2HG1  ILE  34          1HG1      ILE  34  -3.554  -9.225  -2.564
  258   1HG2  ILE  34          1HG2      ILE  34  -1.955  -5.799  -2.608
  259   2HG2  ILE  34          2HG2      ILE  34  -0.651  -6.272  -1.519
  260   3HG2  ILE  34          3HG2      ILE  34  -2.306  -6.166  -0.919
  261   1HD1  ILE  34          1HD1      ILE  34  -5.339  -8.030  -1.499
  262   2HD1  ILE  34          2HD1      ILE  34  -4.274  -6.671  -1.142
  263   3HD1  ILE  34          3HD1      ILE  34  -4.014  -8.228  -0.352
  264    H    HIS  35           H        HIS  35   0.088  -6.337  -4.440
  265    HA   HIS  35           HA       HIS  35   2.776  -6.829  -3.435
  266   1HB   HIS  35          2HB       HIS  35   1.720  -4.478  -5.038
  267   2HB   HIS  35          1HB       HIS  35   3.411  -4.889  -4.779
  268    HD1  HIS  35           HD1      HIS  35   4.467  -6.237  -6.580
  269    HD2  HIS  35           HD2      HIS  35   0.321  -6.538  -6.647
  270    HE1  HIS  35           HE1      HIS  35   3.923  -7.534  -8.650
  271    HE2  HIS  35           HE2      HIS  35   1.412  -7.597  -8.744
  272    H    LEU  36           H        LEU  36   3.850  -5.474  -1.927
  273    HA   LEU  36           HA       LEU  36   2.261  -3.358  -0.642
  274   1HB   LEU  36          2HB       LEU  36   3.688  -5.625   0.733
  275   2HB   LEU  36          1HB       LEU  36   3.249  -4.147   1.574
  276    HG   LEU  36           HG       LEU  36   1.277  -5.997   0.210
  277   1HD1  LEU  36          1HD1      LEU  36   0.621  -6.675   2.452
  278   2HD1  LEU  36          2HD1      LEU  36   1.888  -5.668   3.146
  279   3HD1  LEU  36          3HD1      LEU  36   2.313  -7.062   2.154
  280   1HD2  LEU  36          1HD2      LEU  36   0.519  -3.682   0.284
  281   2HD2  LEU  36          2HD2      LEU  36   0.865  -3.603   2.012
  282   3HD2  LEU  36          3HD2      LEU  36  -0.408  -4.670   1.412
  283    H    SER  37           H        SER  37   5.455  -4.802  -0.168
  284    HA   SER  37           HA       SER  37   7.574  -3.959  -0.201
  285   1HB   SER  37          2HB       SER  37   7.147  -2.701  -2.230
  286   2HB   SER  37          1HB       SER  37   6.308  -1.443  -1.324
  287    HG   SER  37           HG       SER  37   8.159  -0.590  -0.822
  288    H    ALA  38           H        ALA  38   8.961  -2.360   0.922
  289    HA   ALA  38           HA       ALA  38   7.644  -1.282   3.339
  290   1HB   ALA  38          1HB       ALA  38   9.248  -3.062   3.828
  291   2HB   ALA  38          2HB       ALA  38   9.811  -1.516   4.461
  292   3HB   ALA  38          3HB       ALA  38  10.512  -2.170   2.981
  293    H    GLY  39           H        GLY  39   9.155   0.551   4.321
  294   1HA   GLY  39          2HA       GLY  39   8.802   2.858   2.926
  295   2HA   GLY  39          1HA       GLY  39  10.065   2.665   4.125
  296    H    GLU  40           H        GLU  40  11.785   0.918   2.800
  297    HA   GLU  40           HA       GLU  40  13.392   2.592   1.295
  298   1HB   GLU  40          2HB       GLU  40  14.264   0.565   2.291
  299   2HB   GLU  40          1HB       GLU  40  13.229  -0.431   1.274
  300   1HG   GLU  40          2HG       GLU  40  14.457   0.323  -0.711
  301   2HG   GLU  40          1HG       GLU  40  15.500   1.311   0.310
  302    H    GLN  41           H        GLN  41  11.578  -0.167  -0.104
  303    HA   GLN  41           HA       GLN  41  11.979   0.814  -2.769
  304   1HB   GLN  41          2HB       GLN  41  10.228  -1.450  -1.805
  305   2HB   GLN  41          1HB       GLN  41  10.690  -1.144  -3.475
  306   1HG   GLN  41          2HG       GLN  41  13.028  -1.542  -2.916
  307   2HG   GLN  41          1HG       GLN  41  12.588  -1.809  -1.230
  308   1HE2  GLN  41          1HE2      GLN  41  10.124  -3.228  -2.014
  309   2HE2  GLN  41          2HE2      GLN  41  10.647  -4.791  -2.515
  310    H    ALA  42           H        ALA  42   9.535   1.318  -0.393
  311    HA   ALA  42           HA       ALA  42   7.374   2.053  -2.043
  312   1HB   ALA  42          1HB       ALA  42   6.573   3.351  -0.129
  313   2HB   ALA  42          2HB       ALA  42   8.150   3.193   0.646
  314   3HB   ALA  42          3HB       ALA  42   7.152   1.763   0.378
  315    H    GLN  43           H        GLN  43   9.941   4.121  -0.602
  316    HA   GLN  43           HA       GLN  43   9.271   6.425  -2.123
  317   1HB   GLN  43          2HB       GLN  43  10.534   6.821  -0.170
  318   2HB   GLN  43          1HB       GLN  43  11.747   5.626  -0.606
  319   1HG   GLN  43          2HG       GLN  43  12.782   7.035  -2.134
  320   2HG   GLN  43          1HG       GLN  43  11.354   8.048  -2.326
  321   1HE2  GLN  43          1HE2      GLN  43  11.049   9.752  -0.968
  322   2HE2  GLN  43          2HE2      GLN  43  12.209  10.254   0.216
  323    H    GLU  44           H        GLU  44  11.516   3.744  -2.731
  324    HA   GLU  44           HA       GLU  44  12.719   4.647  -5.079
  325   1HB   GLU  44          2HB       GLU  44  11.834   1.858  -4.303
  326   2HB   GLU  44          1HB       GLU  44  12.794   2.195  -5.735
  327   1HG   GLU  44          2HG       GLU  44  13.640   2.864  -2.921
  328   2HG   GLU  44          1HG       GLU  44  14.107   1.402  -3.786
  329    H    THR  45           H        THR  45   9.819   2.570  -4.907
  330    HA   THR  45           HA       THR  45   9.038   2.715  -7.567
  331    HB   THR  45           HB       THR  45   7.235   2.481  -5.140
  332    HG1  THR  45           HG1      THR  45   8.323   0.664  -4.973
  333   1HG2  THR  45          1HG2      THR  45   6.742   1.689  -8.020
  334   2HG2  THR  45          2HG2      THR  45   5.942   3.001  -7.153
  335   3HG2  THR  45          3HG2      THR  45   5.676   1.328  -6.660
  336    H    ALA  46           H        ALA  46   8.230   4.894  -4.888
  337    HA   ALA  46           HA       ALA  46   6.449   6.585  -6.255
  338   1HB   ALA  46          1HB       ALA  46   6.883   8.194  -4.487
  339   2HB   ALA  46          2HB       ALA  46   8.330   7.312  -4.003
  340   3HB   ALA  46          3HB       ALA  46   6.740   6.573  -3.807
  341    H    ALA  47           H        ALA  47   9.995   6.680  -5.975
  342    HA   ALA  47           HA       ALA  47  10.282   9.165  -7.371
  343   1HB   ALA  47          1HB       ALA  47  11.968   8.417  -5.784
  344   2HB   ALA  47          2HB       ALA  47  12.681   8.647  -7.382
  345   3HB   ALA  47          3HB       ALA  47  12.327   7.018  -6.798
  346    H    LYS  48           H        LYS  48  10.434   5.764  -8.347
  347    HA   LYS  48           HA       LYS  48  11.357   6.317 -11.003
  348   1HB   LYS  48          2HB       LYS  48  10.114   3.783  -9.920
  349   2HB   LYS  48          1HB       LYS  48  11.105   3.946 -11.352
  350   1HG   LYS  48          2HG       LYS  48  13.032   4.556  -9.954
  351   2HG   LYS  48          1HG       LYS  48  12.027   4.360  -8.519
  352   1HD   LYS  48          2HD       LYS  48  11.610   1.965  -9.397
  353   2HD   LYS  48          1HD       LYS  48  13.004   2.257 -10.438
  354   1HE   LYS  48          2HE       LYS  48  12.941   2.343  -7.417
  355   2HE   LYS  48          1HE       LYS  48  13.709   1.114  -8.421
  356   1HZ   LYS  48          1HZ       LYS  48  15.271   2.750  -9.208
  357   2HZ   LYS  48          2HZ       LYS  48  15.291   2.729  -7.518
  358   3HZ   LYS  48          3HZ       LYS  48  14.499   3.976  -8.338
  359    H    TRP  49           H        TRP  49   8.281   4.947  -9.766
  360    HA   TRP  49           HA       TRP  49   7.070   5.232 -12.389
  361   1HB   TRP  49          2HB       TRP  49   5.948   4.118  -9.807
  362   2HB   TRP  49          1HB       TRP  49   5.156   4.036 -11.378
  363    HD1  TRP  49           HD1      TRP  49   8.227   2.632  -9.517
  364    HE1  TRP  49           HE1      TRP  49   8.935   0.442 -10.663
  365    HE3  TRP  49           HE3      TRP  49   5.022   2.723 -13.499
  366    HZ2  TRP  49           HZ2      TRP  49   8.228  -1.055 -12.947
  367    HZ3  TRP  49           HZ3      TRP  49   5.099   0.871 -15.118
  368    HH2  TRP  49           HH2      TRP  49   6.671  -0.979 -14.845
  369    H    PHE  50           H        PHE  50   6.671   6.696  -9.180
  370    HA   PHE  50           HA       PHE  50   4.400   8.284 -10.212
  371   1HB   PHE  50          2HB       PHE  50   5.135   7.630  -7.347
  372   2HB   PHE  50          1HB       PHE  50   3.744   8.585  -7.851
  373    HD1  PHE  50           HD2      PHE  50   2.288   7.295  -9.763
  374    HD2  PHE  50           HD1      PHE  50   4.684   5.456  -6.751
  375    HE1  PHE  50           HE2      PHE  50   0.945   5.241  -9.944
  376    HE2  PHE  50           HE1      PHE  50   3.345   3.402  -6.940
  377    HZ   PHE  50           HZ       PHE  50   1.472   3.294  -8.534
  378    H    ARG  51           H        ARG  51   7.049   8.994 -10.792
  379    HA   ARG  51           HA       ARG  51   8.717  10.485  -9.506
  380   1HB   ARG  51          2HB       ARG  51   7.556  11.922 -11.853
  381   2HB   ARG  51          1HB       ARG  51   9.234  11.686 -11.401
  382   1HG   ARG  51          2HG       ARG  51   9.163   9.383 -12.131
  383   2HG   ARG  51          1HG       ARG  51   7.439   9.524 -12.483
  384   1HD   ARG  51          2HD       ARG  51   8.064  11.396 -14.086
  385   2HD   ARG  51          1HD       ARG  51   9.736  10.869 -13.884
  386    HE   ARG  51           HE       ARG  51   8.093   8.676 -14.578
  387   1HH1  ARG  51          1HH1      ARG  51   9.532  11.495 -15.948
  388   2HH1  ARG  51          2HH1      ARG  51   9.564  10.827 -17.542
  389   1HH2  ARG  51          1HH2      ARG  51   8.129   7.842 -16.629
  390   2HH2  ARG  51          2HH2      ARG  51   8.762   8.793 -17.926
  391    H    GLY  52           H        GLY  52   5.676  12.010 -10.512
  392   1HA   GLY  52          2HA       GLY  52   5.625  13.607  -8.082
  393   2HA   GLY  52          1HA       GLY  52   5.798  14.523  -9.572
  394    H    GLN  53           H        GLN  53   3.820  11.681  -8.680
  395    HA   GLN  53           HA       GLN  53   1.551  12.719 -10.135
  396   1HB   GLN  53          2HB       GLN  53   1.737  10.320  -8.302
  397   2HB   GLN  53          1HB       GLN  53   0.386  10.689  -9.362
  398   1HG   GLN  53          2HG       GLN  53   3.193  10.006 -10.220
  399   2HG   GLN  53          1HG       GLN  53   1.786   8.950 -10.306
  400   1HE2  GLN  53          1HE2      GLN  53   3.484   9.732 -12.462
  401   2HE2  GLN  53          2HE2      GLN  53   2.497  10.567 -13.600
  402    H    ALA  54           H        ALA  54  -0.026  14.015  -9.361
  403    HA   ALA  54           HA       ALA  54  -0.069  14.605  -6.497
  404   1HB   ALA  54          1HB       ALA  54  -1.429  16.538  -7.081
  405   2HB   ALA  54          2HB       ALA  54  -1.525  15.987  -8.753
  406   3HB   ALA  54          3HB       ALA  54   0.027  16.480  -8.075
  407    H    ASN  55           H        ASN  55  -0.980  12.320  -6.274
  408    HA   ASN  55           HA       ASN  55  -3.630  12.568  -5.335
  409   1HB   ASN  55          2HB       ASN  55  -4.740  10.876  -6.805
  410   2HB   ASN  55          1HB       ASN  55  -4.343  12.375  -7.637
  411   1HD2  ASN  55          1HD2      ASN  55  -2.871  12.344  -9.288
  412   2HD2  ASN  55          2HD2      ASN  55  -2.225  10.887  -9.948
  413    H    LEU  56           H        LEU  56  -0.907  11.537  -4.647
  414    HA   LEU  56           HA       LEU  56  -1.193   8.658  -4.470
  415   1HB   LEU  56          2HB       LEU  56   0.999  10.409  -3.354
  416   2HB   LEU  56          1HB       LEU  56   1.055   8.671  -3.573
  417    HG   LEU  56           HG       LEU  56   1.024  10.773  -5.741
  418   1HD1  LEU  56          1HD1      LEU  56   3.219   9.903  -6.302
  419   2HD1  LEU  56          2HD1      LEU  56   3.109   8.727  -4.991
  420   3HD1  LEU  56          3HD1      LEU  56   3.178  10.451  -4.625
  421   1HD2  LEU  56          1HD2      LEU  56   0.911   7.769  -6.004
  422   2HD2  LEU  56          2HD2      LEU  56   1.200   8.899  -7.327
  423   3HD2  LEU  56          3HD2      LEU  56  -0.340   8.923  -6.471
  424    H    VAL  57           H        VAL  57  -1.567   7.465  -2.682
  425    HA   VAL  57           HA       VAL  57  -1.839   8.847  -0.086
  426    HB   VAL  57           HB       VAL  57  -3.473   6.491  -1.074
  427   1HG1  VAL  57          1HG1      VAL  57  -4.721   6.734   1.038
  428   2HG1  VAL  57          2HG1      VAL  57  -3.582   7.976   1.559
  429   3HG1  VAL  57          3HG1      VAL  57  -3.030   6.319   1.316
  430   1HG2  VAL  57          1HG2      VAL  57  -5.386   8.031  -0.964
  431   2HG2  VAL  57          2HG2      VAL  57  -4.169   8.590  -2.111
  432   3HG2  VAL  57          3HG2      VAL  57  -4.298   9.347  -0.522
  433    H    LEU  58           H        LEU  58  -0.601   8.068   1.511
  434    HA   LEU  58           HA       LEU  58   0.998   5.668   0.996
  435   1HB   LEU  58          2HB       LEU  58   2.148   7.763   1.616
  436   2HB   LEU  58          1HB       LEU  58   1.276   7.788   3.138
  437    HG   LEU  58           HG       LEU  58   2.399   5.679   3.801
  438   1HD1  LEU  58          1HD1      LEU  58   2.806   4.746   1.591
  439   2HD1  LEU  58          2HD1      LEU  58   4.311   4.867   2.500
  440   3HD1  LEU  58          3HD1      LEU  58   3.949   6.041   1.234
  441   1HD2  LEU  58          1HD2      LEU  58   3.323   7.837   4.485
  442   2HD2  LEU  58          2HD2      LEU  58   4.280   7.908   3.005
  443   3HD2  LEU  58          3HD2      LEU  58   4.606   6.659   4.208
  444    H    LEU  59           H        LEU  59   0.171   3.797   1.738
  445    HA   LEU  59           HA       LEU  59  -1.427   3.749   4.184
  446   1HB   LEU  59          2HB       LEU  59  -0.661   1.481   2.337
  447   2HB   LEU  59          1HB       LEU  59  -1.798   1.383   3.668
  448    HG   LEU  59           HG       LEU  59  -2.143   2.974   1.122
  449   1HD1  LEU  59          1HD1      LEU  59  -4.013   1.433   0.717
  450   2HD1  LEU  59          2HD1      LEU  59  -3.587   0.539   2.178
  451   3HD1  LEU  59          3HD1      LEU  59  -2.468   0.587   0.814
  452   1HD2  LEU  59          1HD2      LEU  59  -4.369   3.551   1.963
  453   2HD2  LEU  59          2HD2      LEU  59  -3.108   4.185   3.020
  454   3HD2  LEU  59          3HD2      LEU  59  -4.010   2.744   3.490
  455    H    ALA  60           H        ALA  60  -0.283   3.818   6.008
  456    HA   ALA  60           HA       ALA  60   2.327   2.509   6.206
  457   1HB   ALA  60          1HB       ALA  60   0.921   4.355   8.145
  458   2HB   ALA  60          2HB       ALA  60   2.149   4.822   6.969
  459   3HB   ALA  60          3HB       ALA  60   2.571   3.750   8.303
  460    H    VAL  61           H        VAL  61   2.343   0.439   6.833
  461    HA   VAL  61           HA       VAL  61   0.555  -0.392   9.038
  462    HB   VAL  61           HB       VAL  61   1.293  -2.179   6.705
  463   1HG1  VAL  61          1HG1      VAL  61  -0.477  -3.635   7.575
  464   2HG1  VAL  61          2HG1      VAL  61  -0.752  -2.508   8.903
  465   3HG1  VAL  61          3HG1      VAL  61   0.786  -3.363   8.777
  466   1HG2  VAL  61          1HG2      VAL  61  -0.106  -0.391   5.848
  467   2HG2  VAL  61          2HG2      VAL  61  -1.272  -0.645   7.144
  468   3HG2  VAL  61          3HG2      VAL  61  -1.033  -1.890   5.918
  469    H    GLU  62           H        GLU  62   1.551  -1.537  10.664
  470    HA   GLU  62           HA       GLU  62   4.388  -2.023  10.513
  471   1HB   GLU  62          2HB       GLU  62   4.120  -3.008  12.784
  472   2HB   GLU  62          1HB       GLU  62   3.481  -1.378  12.650
  473   1HG   GLU  62          2HG       GLU  62   1.206  -2.326  12.436
  474   2HG   GLU  62          1HG       GLU  62   1.882  -3.935  12.687
  475    H    ALA  63           H        ALA  63   5.450  -3.943  10.157
  476    HA   ALA  63           HA       ALA  63   4.293  -5.701   8.355
  477   1HB   ALA  63          1HB       ALA  63   6.714  -6.233  10.069
  478   2HB   ALA  63          2HB       ALA  63   6.703  -5.338   8.550
  479   3HB   ALA  63          3HB       ALA  63   6.297  -7.054   8.565
  480    H    GLU  64           H        GLU  64   5.495  -6.901  11.506
  481    HA   GLU  64           HA       GLU  64   4.771  -8.528  12.910
  482   1HB   GLU  64          2HB       GLU  64   2.079  -7.598  11.886
  483   2HB   GLU  64          1HB       GLU  64   2.288  -8.696  13.246
  484   1HG   GLU  64          2HG       GLU  64   3.345  -5.871  13.103
  485   2HG   GLU  64          1HG       GLU  64   1.878  -6.373  13.942
  486    HA   PRO  65           HA       PRO  65   4.026 -12.454  10.805
  487   1HB   PRO  65          2HB       PRO  65   2.232 -13.115  13.092
  488   2HB   PRO  65          1HB       PRO  65   3.613 -14.014  12.451
  489   1HG   PRO  65          2HG       PRO  65   3.811 -12.669  14.748
  490   2HG   PRO  65          1HG       PRO  65   5.161 -12.710  13.596
  491   1HD   PRO  65          2HD       PRO  65   3.188 -10.512  14.129
  492   2HD   PRO  65          1HD       PRO  65   4.930 -10.413  13.792
  493    H    LEU  66           H        LEU  66   1.082 -11.552  12.601
  494    HA   LEU  66           HA       LEU  66  -1.126 -11.748  12.044
  495   1HB   LEU  66          2HB       LEU  66  -1.772  -9.953  10.396
  496   2HB   LEU  66          1HB       LEU  66  -0.835  -9.459  11.787
  497    HG   LEU  66           HG       LEU  66   1.206  -9.440  10.287
  498   1HD1  LEU  66          1HD1      LEU  66   0.408 -10.852   8.477
  499   2HD1  LEU  66          2HD1      LEU  66   0.836  -9.255   7.868
  500   3HD1  LEU  66          3HD1      LEU  66  -0.859  -9.685   8.099
  501   1HD2  LEU  66          1HD2      LEU  66  -1.069  -7.570   9.623
  502   2HD2  LEU  66          2HD2      LEU  66   0.636  -7.274   9.280
  503   3HD2  LEU  66          3HD2      LEU  66   0.082  -7.394  10.950
  504    H    GLY  67           H        GLY  67   0.224 -13.895  10.714
  505   1HA   GLY  67          2HA       GLY  67  -0.954 -15.544   9.405
  506   2HA   GLY  67          1HA       GLY  67  -1.634 -14.243   8.442
  507    H    GLU  68           H        GLU  68   0.443 -16.714   8.278
  508    HA   GLU  68           HA       GLU  68   2.823 -15.671   7.214
  509   1HB   GLU  68          2HB       GLU  68   1.524 -18.373   6.851
  510   2HB   GLU  68          1HB       GLU  68   3.130 -17.986   6.253
  511   1HG   GLU  68          2HG       GLU  68   3.353 -19.157   8.322
  512   2HG   GLU  68          1HG       GLU  68   3.835 -17.483   8.579
  513    H    ASP  69           H        ASP  69  -0.186 -15.413   5.831
  514    HA   ASP  69           HA       ASP  69   0.299 -15.818   3.098
  515   1HB   ASP  69          2HB       ASP  69  -1.511 -13.801   4.453
  516   2HB   ASP  69          1HB       ASP  69  -1.556 -14.191   2.736
  517    H    LEU  70           H        LEU  70   1.312 -13.250   5.242
  518    HA   LEU  70           HA       LEU  70   2.281 -11.574   3.069
  519   1HB   LEU  70          2HB       LEU  70   1.453 -10.516   5.105
  520   2HB   LEU  70          1HB       LEU  70   2.634 -11.384   6.070
  521    HG   LEU  70           HG       LEU  70   4.456 -10.136   5.006
  522   1HD1  LEU  70          1HD1      LEU  70   3.971  -8.253   3.502
  523   2HD1  LEU  70          2HD1      LEU  70   2.270  -8.720   3.476
  524   3HD1  LEU  70          3HD1      LEU  70   3.491  -9.799   2.803
  525   1HD2  LEU  70          1HD2      LEU  70   2.260  -8.343   6.055
  526   2HD2  LEU  70          2HD2      LEU  70   3.970  -7.924   5.945
  527   3HD2  LEU  70          3HD2      LEU  70   3.448  -9.215   7.026
  528    H    LYS  71           H        LYS  71   4.004 -12.318   1.964
  529    HA   LYS  71           HA       LYS  71   6.222 -13.569   3.470
  530   1HB   LYS  71          2HB       LYS  71   4.940 -15.272   2.291
  531   2HB   LYS  71          1HB       LYS  71   5.085 -14.378   0.784
  532   1HG   LYS  71          2HG       LYS  71   7.562 -14.707   0.917
  533   2HG   LYS  71          1HG       LYS  71   7.289 -15.762   2.307
  534   1HD   LYS  71          2HD       LYS  71   5.981 -17.280   0.963
  535   2HD   LYS  71          1HD       LYS  71   6.048 -16.183  -0.415
  536   1HE   LYS  71          2HE       LYS  71   8.563 -16.463  -0.357
  537   2HE   LYS  71          1HE       LYS  71   8.304 -17.771   0.800
  538   1HZ   LYS  71          1HZ       LYS  71   8.485 -18.632  -1.434
  539   2HZ   LYS  71          2HZ       LYS  71   7.223 -17.639  -1.965
  540   3HZ   LYS  71          3HZ       LYS  71   6.917 -18.883  -0.855
  541    H    TRP  72           H        TRP  72   8.185 -12.667   3.147
  542    HA   TRP  72           HA       TRP  72   8.528 -10.539   1.221
  543   1HB   TRP  72          2HB       TRP  72  10.411 -11.815   3.218
  544   2HB   TRP  72          1HB       TRP  72  10.884 -10.493   2.156
  545    HD1  TRP  72           HD1      TRP  72   8.473 -11.230   5.083
  546    HE1  TRP  72           HE1      TRP  72   7.954  -9.005   6.270
  547    HE3  TRP  72           HE3      TRP  72  10.879  -8.032   1.899
  548    HZ2  TRP  72           HZ2      TRP  72   8.491  -6.263   5.902
  549    HZ3  TRP  72           HZ3      TRP  72  10.829  -5.621   2.389
  550    HH2  TRP  72           HH2      TRP  72   9.659  -4.755   4.350
  551    H    GLU  73           H        GLU  73   8.738 -11.121  -0.886
  552    HA   GLU  73           HA       GLU  73  10.626 -13.301  -1.540
  553   1HB   GLU  73          2HB       GLU  73   8.171 -12.437  -3.090
  554   2HB   GLU  73          1HB       GLU  73   9.285 -13.711  -3.570
  555   1HG   GLU  73          2HG       GLU  73   8.712 -14.931  -1.484
  556   2HG   GLU  73          1HG       GLU  73   7.510 -13.694  -1.135
  557    H    ALA  74           H        ALA  74  12.295 -12.855  -2.842
  558    HA   ALA  74           HA       ALA  74  12.582 -10.125  -3.870
  559   1HB   ALA  74          1HB       ALA  74  14.952 -10.675  -4.130
  560   2HB   ALA  74          2HB       ALA  74  14.627 -12.339  -3.642
  561   3HB   ALA  74          3HB       ALA  74  14.396 -11.022  -2.491
  562    H    SER  75           H        SER  75  12.052  -9.727  -5.934
  563    HA   SER  75           HA       SER  75  11.535 -11.875  -7.775
  564   1HB   SER  75          2HB       SER  75  10.138  -9.823  -7.708
  565   2HB   SER  75          1HB       SER  75  11.512  -8.892  -8.308
  566    HG   SER  75           HG       SER  75  10.682  -9.400 -10.180
  567    H    ARG  76           H        ARG  76  12.288 -11.521 -10.146
  568    HA   ARG  76           HA       ARG  76  15.067 -12.040 -10.219
  569   1HB   ARG  76          2HB       ARG  76  13.036 -11.563 -12.406
  570   2HB   ARG  76          1HB       ARG  76  14.719 -11.957 -12.744
  571   1HG   ARG  76          2HG       ARG  76  12.902 -13.685 -11.066
  572   2HG   ARG  76          1HG       ARG  76  13.138 -13.901 -12.801
  573   1HD   ARG  76          2HD       ARG  76  15.395 -13.926 -10.791
  574   2HD   ARG  76          1HD       ARG  76  14.552 -15.379 -11.327
  575    HE   ARG  76           HE       ARG  76  15.432 -15.043 -13.511
  576   1HH1  ARG  76          1HH1      ARG  76  16.800 -12.945 -11.124
  577   2HH1  ARG  76          2HH1      ARG  76  18.142 -12.517 -12.127
  578   1HH2  ARG  76          1HH2      ARG  76  17.175 -14.504 -14.756
  579   2HH2  ARG  76          2HH2      ARG  76  18.348 -13.380 -14.150
  580    H    GLY  77           H        GLY  77  16.380 -10.441  -9.592
  581   1HA   GLY  77          2HA       GLY  77  17.519  -8.541 -11.023
  582   2HA   GLY  77          1HA       GLY  77  16.025  -7.713 -10.607
  583    H    GLY  78           H        GLY  78  15.826  -8.934  -7.965
  584   1HA   GLY  78          2HA       GLY  78  17.519  -9.005  -6.064
  585   2HA   GLY  78          1HA       GLY  78  17.972  -7.401  -6.615
  586    H    ALA  79           H        ALA  79  15.112  -6.736  -7.197
  587    HA   ALA  79           HA       ALA  79  14.489  -5.388  -4.837
  588   1HB   ALA  79          1HB       ALA  79  12.367  -4.850  -5.871
  589   2HB   ALA  79          2HB       ALA  79  12.573  -6.159  -7.038
  590   3HB   ALA  79          3HB       ALA  79  13.659  -4.769  -7.069
  591    H    ARG  80           H        ARG  80  13.609  -5.978  -2.976
  592    HA   ARG  80           HA       ARG  80  12.457  -8.667  -2.689
  593   1HB   ARG  80          2HB       ARG  80  13.365  -6.677  -0.593
  594   2HB   ARG  80          1HB       ARG  80  12.829  -8.324  -0.280
  595   1HG   ARG  80          2HG       ARG  80  14.750  -9.262  -1.218
  596   2HG   ARG  80          1HG       ARG  80  15.162  -7.783  -2.090
  597   1HD   ARG  80          2HD       ARG  80  15.242  -8.144   0.912
  598   2HD   ARG  80          1HD       ARG  80  16.642  -8.139  -0.163
  599    HE   ARG  80           HE       ARG  80  15.460  -5.769  -0.697
  600   1HH1  ARG  80          1HH1      ARG  80  16.471  -7.274   2.238
  601   2HH1  ARG  80          2HH1      ARG  80  16.794  -5.763   3.016
  602   1HH2  ARG  80          1HH2      ARG  80  15.852  -3.847   0.317
  603   2HH2  ARG  80          2HH2      ARG  80  16.436  -3.846   1.942
  604    H    PHE  81           H        PHE  81  10.301  -8.476  -3.280
  605    HA   PHE  81           HA       PHE  81   8.705  -6.369  -1.970
  606   1HB   PHE  81          2HB       PHE  81   8.168  -8.025  -4.443
  607   2HB   PHE  81          1HB       PHE  81   6.949  -7.005  -3.688
  608    HD1  PHE  81           HD1      PHE  81   7.626  -4.502  -3.332
  609    HD2  PHE  81           HD2      PHE  81   9.512  -7.125  -6.114
  610    HE1  PHE  81           HE1      PHE  81   8.421  -2.563  -4.622
  611    HE2  PHE  81           HE2      PHE  81  10.310  -5.187  -7.400
  612    HZ   PHE  81           HZ       PHE  81   9.764  -2.901  -6.653
  613    HA   PRO  82           HA       PRO  82   7.023  -9.730   0.603
  614   1HB   PRO  82          2HB       PRO  82   5.439  -8.031   2.087
  615   2HB   PRO  82          1HB       PRO  82   7.126  -8.394   2.463
  616   1HG   PRO  82          2HG       PRO  82   5.965  -6.024   1.054
  617   2HG   PRO  82          1HG       PRO  82   7.281  -6.089   2.240
  618   1HD   PRO  82          2HD       PRO  82   7.743  -5.830  -0.410
  619   2HD   PRO  82          1HD       PRO  82   8.845  -6.725   0.657
  620    H    HIS  83           H        HIS  83   5.632 -10.868  -0.644
  621    HA   HIS  83           HA       HIS  83   3.321  -9.571  -1.862
  622   1HB   HIS  83          2HB       HIS  83   4.345 -12.414  -2.085
  623   2HB   HIS  83          1HB       HIS  83   2.979 -11.759  -2.982
  624    HD1  HIS  83           HD1      HIS  83   6.148 -12.697  -3.767
  625    HD2  HIS  83           HD2      HIS  83   4.188  -9.066  -4.213
  626    HE1  HIS  83           HE1      HIS  83   7.388 -11.490  -5.577
  627    HE2  HIS  83           HE2      HIS  83   6.042  -9.410  -5.986
  628    H    LEU  84           H        LEU  84   1.353  -9.601  -1.009
  629    HA   LEU  84           HA       LEU  84   0.798 -11.319   1.298
  630   1HB   LEU  84          2HB       LEU  84   0.227  -8.650   0.752
  631   2HB   LEU  84          1HB       LEU  84  -1.311  -9.447   0.496
  632    HG   LEU  84           HG       LEU  84   0.326  -9.428   3.038
  633   1HD1  LEU  84          1HD1      LEU  84  -1.605  -8.281   3.980
  634   2HD1  LEU  84          2HD1      LEU  84  -2.422  -8.343   2.417
  635   3HD1  LEU  84          3HD1      LEU  84  -0.949  -7.389   2.607
  636   1HD2  LEU  84          1HD2      LEU  84  -1.478 -10.750   4.044
  637   2HD2  LEU  84          2HD2      LEU  84  -0.654 -11.637   2.763
  638   3HD2  LEU  84          3HD2      LEU  84  -2.236 -10.917   2.459
  639    H    TYR  85           H        TYR  85  -0.071 -13.252   0.829
  640    HA   TYR  85           HA       TYR  85  -1.572 -13.743  -1.583
  641   1HB   TYR  85          2HB       TYR  85  -1.182 -15.557   0.811
  642   2HB   TYR  85          1HB       TYR  85  -1.742 -16.042  -0.784
  643    HD1  TYR  85           HD1      TYR  85  -0.028 -15.330  -2.755
  644    HD2  TYR  85           HD2      TYR  85   1.029 -15.992   1.317
  645    HE1  TYR  85           HE1      TYR  85   2.295 -15.788  -3.434
  646    HE2  TYR  85           HE2      TYR  85   3.347 -16.447   0.647
  647    HH   TYR  85           HH       TYR  85   4.572 -15.721  -2.408
  648    H    ARG  86           H        ARG  86  -2.489 -12.145   1.062
  649    HA   ARG  86           HA       ARG  86  -5.241 -13.230   1.134
  650   1HB   ARG  86          2HB       ARG  86  -3.936 -13.501   3.253
  651   2HB   ARG  86          1HB       ARG  86  -3.737 -11.759   3.324
  652   1HG   ARG  86          2HG       ARG  86  -5.476 -12.160   4.801
  653   2HG   ARG  86          1HG       ARG  86  -6.315 -11.674   3.328
  654   1HD   ARG  86          2HD       ARG  86  -7.410 -13.604   4.313
  655   2HD   ARG  86          1HD       ARG  86  -6.675 -14.048   2.770
  656    HE   ARG  86           HE       ARG  86  -4.746 -14.796   4.381
  657   1HH1  ARG  86          1HH1      ARG  86  -8.142 -15.200   4.853
  658   2HH1  ARG  86          2HH1      ARG  86  -7.935 -16.616   5.823
  659   1HH2  ARG  86          1HH2      ARG  86  -4.500 -16.596   5.590
  660   2HH2  ARG  86          2HH2      ARG  86  -5.889 -17.411   6.229
  661    HA   PRO  87           HA       PRO  87  -6.655  -9.171  -0.382
  662   1HB   PRO  87          2HB       PRO  87  -8.935  -9.776   1.467
  663   2HB   PRO  87          1HB       PRO  87  -8.965  -9.240  -0.219
  664   1HG   PRO  87          2HG       PRO  87  -9.472 -11.776   0.375
  665   2HG   PRO  87          1HG       PRO  87  -8.479 -11.373  -1.039
  666   1HD   PRO  87          2HD       PRO  87  -7.632 -12.401   1.643
  667   2HD   PRO  87          1HD       PRO  87  -6.996 -12.793   0.032
  668    H    LEU  88           H        LEU  88  -6.492  -7.063   0.406
  669    HA   LEU  88           HA       LEU  88  -5.443  -6.880   3.123
  670   1HB   LEU  88          2HB       LEU  88  -4.309  -5.907   1.053
  671   2HB   LEU  88          1HB       LEU  88  -5.553  -4.673   1.062
  672    HG   LEU  88           HG       LEU  88  -3.698  -5.146   3.410
  673   1HD1  LEU  88          1HD1      LEU  88  -2.361  -4.597   1.445
  674   2HD1  LEU  88          2HD1      LEU  88  -2.376  -3.265   2.599
  675   3HD1  LEU  88          3HD1      LEU  88  -3.368  -3.181   1.142
  676   1HD2  LEU  88          1HD2      LEU  88  -5.426  -2.787   2.634
  677   2HD2  LEU  88          2HD2      LEU  88  -4.324  -2.844   4.011
  678   3HD2  LEU  88          3HD2      LEU  88  -5.726  -3.909   3.961
  679    H    LEU  89           H        LEU  89  -6.955  -6.631   4.657
  680    HA   LEU  89           HA       LEU  89  -9.382  -5.117   4.227
  681   1HB   LEU  89          2HB       LEU  89  -8.257  -6.149   6.839
  682   2HB   LEU  89          1HB       LEU  89  -9.916  -5.683   6.517
  683    HG   LEU  89           HG       LEU  89  -8.490  -8.077   5.329
  684   1HD1  LEU  89          1HD1      LEU  89 -10.046  -9.395   6.699
  685   2HD1  LEU  89          2HD1      LEU  89 -10.650  -7.908   7.431
  686   3HD1  LEU  89          3HD1      LEU  89  -8.973  -8.397   7.681
  687   1HD2  LEU  89          1HD2      LEU  89 -10.674  -8.698   4.419
  688   2HD2  LEU  89          2HD2      LEU  89 -10.129  -7.151   3.771
  689   3HD2  LEU  89          3HD2      LEU  89 -11.365  -7.193   5.029
  690    H    VAL  90           H        VAL  90  -9.717  -2.944   4.745
  691    HA   VAL  90           HA       VAL  90  -7.468  -1.301   5.147
  692    HB   VAL  90           HB       VAL  90  -8.994   0.538   5.232
  693   1HG1  VAL  90          1HG1      VAL  90  -8.630  -0.430   3.056
  694   2HG1  VAL  90          2HG1      VAL  90 -10.290   0.156   3.174
  695   3HG1  VAL  90          3HG1      VAL  90  -9.949  -1.571   3.314
  696   1HG2  VAL  90          1HG2      VAL  90 -11.183  -1.487   5.654
  697   2HG2  VAL  90          2HG2      VAL  90 -11.444   0.226   5.330
  698   3HG2  VAL  90          3HG2      VAL  90 -10.631  -0.277   6.810
  699    H    SER  91           H        SER  91  -9.618  -2.846   7.380
  700    HA   SER  91           HA       SER  91  -9.083  -1.276   9.681
  701   1HB   SER  91          2HB       SER  91  -9.853  -4.201   9.477
  702   2HB   SER  91          1HB       SER  91  -9.896  -3.244  10.959
  703    HG   SER  91           HG       SER  91 -11.948  -3.333   9.967
  704    H    GLU  92           H        GLU  92  -7.111  -3.451   7.938
  705    HA   GLU  92           HA       GLU  92  -5.392  -4.195  10.152
  706   1HB   GLU  92          2HB       GLU  92  -4.973  -4.489   7.164
  707   2HB   GLU  92          1HB       GLU  92  -3.957  -5.202   8.406
  708   1HG   GLU  92          2HG       GLU  92  -6.870  -5.835   7.970
  709   2HG   GLU  92          1HG       GLU  92  -5.519  -6.809   7.398
  710    H    VAL  93           H        VAL  93  -5.680  -1.496   8.066
  711    HA   VAL  93           HA       VAL  93  -2.924  -0.779   7.876
  712    HB   VAL  93           HB       VAL  93  -5.361   0.987   7.525
  713   1HG1  VAL  93          1HG1      VAL  93  -2.500   1.375   6.625
  714   2HG1  VAL  93          2HG1      VAL  93  -3.350   2.307   7.859
  715   3HG1  VAL  93          3HG1      VAL  93  -3.860   2.404   6.174
  716   1HG2  VAL  93          1HG2      VAL  93  -5.441  -0.927   6.021
  717   2HG2  VAL  93          2HG2      VAL  93  -3.792  -0.607   5.485
  718   3HG2  VAL  93          3HG2      VAL  93  -5.079   0.540   5.113
  719    H    THR  94           H        THR  94  -1.670  -0.071   9.478
  720    HA   THR  94           HA       THR  94  -2.546   0.690  12.033
  721    HB   THR  94           HB       THR  94   0.098   1.401  10.728
  722    HG1  THR  94           HG1      THR  94  -0.408  -0.835  12.411
  723   1HG2  THR  94          1HG2      THR  94  -0.287   2.632  12.810
  724   2HG2  THR  94          2HG2      THR  94   0.964   1.407  13.034
  725   3HG2  THR  94          3HG2      THR  94  -0.666   1.125  13.644
  726    H    ARG  95           H        ARG  95  -1.403   2.717   9.324
  727    HA   ARG  95           HA       ARG  95  -3.261   4.804  10.043
  728   1HB   ARG  95          2HB       ARG  95  -1.305   5.295  11.521
  729   2HB   ARG  95          1HB       ARG  95  -0.300   5.456  10.085
  730   1HG   ARG  95          2HG       ARG  95  -1.738   7.323   9.326
  731   2HG   ARG  95          1HG       ARG  95  -2.665   7.185  10.821
  732   1HD   ARG  95          2HD       ARG  95   0.257   7.907  10.551
  733   2HD   ARG  95          1HD       ARG  95  -1.061   8.977  11.029
  734    HE   ARG  95           HE       ARG  95  -1.064   6.893  12.839
  735   1HH1  ARG  95          1HH1      ARG  95   1.069   9.437  11.892
  736   2HH1  ARG  95          2HH1      ARG  95   1.886   9.452  13.420
  737   1HH2  ARG  95          1HH2      ARG  95  -0.017   6.952  14.794
  738   2HH2  ARG  95          2HH2      ARG  95   1.272   8.085  15.035
  739    H    GLU  96           H        GLU  96  -3.626   6.269   8.334
  740    HA   GLU  96           HA       GLU  96  -2.033   5.889   5.889
  741   1HB   GLU  96          2HB       GLU  96  -4.202   6.030   4.570
  742   2HB   GLU  96          1HB       GLU  96  -3.911   4.529   5.434
  743   1HG   GLU  96          2HG       GLU  96  -6.171   4.985   5.778
  744   2HG   GLU  96          1HG       GLU  96  -5.387   5.471   7.275
  745    H    ALA  97           H        ALA  97  -2.073   7.670   4.400
  746    HA   ALA  97           HA       ALA  97  -3.487  10.089   4.999
  747   1HB   ALA  97          1HB       ALA  97  -0.509  10.110   5.522
  748   2HB   ALA  97          2HB       ALA  97  -1.768  10.214   6.754
  749   3HB   ALA  97          3HB       ALA  97  -1.586  11.507   5.569
  750    H    ASP  98           H        ASP  98  -3.322  11.646   3.359
  751    HA   ASP  98           HA       ASP  98  -2.503  10.761   0.797
  752   1HB   ASP  98          2HB       ASP  98  -2.945  13.181   0.137
  753   2HB   ASP  98          1HB       ASP  98  -4.290  12.315   0.867
  754    H    LEU  99           H        LEU  99  -0.594  10.833  -0.176
  755    HA   LEU  99           HA       LEU  99   1.715  11.678   1.328
  756   1HB   LEU  99          2HB       LEU  99   1.679   9.563   0.087
  757   2HB   LEU  99          1HB       LEU  99   1.464  10.436  -1.419
  758    HG   LEU  99           HG       LEU  99   3.704  11.437  -1.159
  759   1HD1  LEU  99          1HD1      LEU  99   3.926   9.682   1.292
  760   2HD1  LEU  99          2HD1      LEU  99   3.842  11.445   1.281
  761   3HD1  LEU  99          3HD1      LEU  99   5.231  10.625   0.569
  762   1HD2  LEU  99          1HD2      LEU  99   3.685   8.423  -0.940
  763   2HD2  LEU  99          2HD2      LEU  99   4.986   9.410  -1.608
  764   3HD2  LEU  99          3HD2      LEU  99   3.420   9.355  -2.414
  765    H    ASP 100           H        ASP 100   2.870  13.513   1.082
  766    HA   ASP 100           HA       ASP 100   1.995  15.446  -0.923
  767   1HB   ASP 100          2HB       ASP 100   2.212  16.032   1.531
  768   2HB   ASP 100          1HB       ASP 100   3.957  15.879   1.342
  769    H    LEU 101           H        LEU 101   3.591  16.712  -2.142
  770    HA   LEU 101           HA       LEU 101   5.731  14.947  -3.133
  771   1HB   LEU 101          2HB       LEU 101   4.477  17.367  -4.441
  772   2HB   LEU 101          1HB       LEU 101   5.641  16.282  -5.180
  773    HG   LEU 101           HG       LEU 101   2.809  15.586  -4.371
  774   1HD1  LEU 101          1HD1      LEU 101   2.929  16.976  -6.364
  775   2HD1  LEU 101          2HD1      LEU 101   2.447  15.332  -6.783
  776   3HD1  LEU 101          3HD1      LEU 101   4.100  15.873  -7.086
  777   1HD2  LEU 101          1HD2      LEU 101   3.246  13.415  -5.458
  778   2HD2  LEU 101          2HD2      LEU 101   4.253  13.663  -4.033
  779   3HD2  LEU 101          3HD2      LEU 101   4.943  13.862  -5.644
  780    H    ASP 102           H        ASP 102   7.607  16.242  -4.190
  781    HA   ASP 102           HA       ASP 102   8.678  18.102  -2.177
  782   1HB   ASP 102          2HB       ASP 102  10.013  16.114  -2.634
  783   2HB   ASP 102          1HB       ASP 102  10.026  16.484  -4.353
  784    H    ALA 103           H        ALA 103  10.259  19.789  -3.148
  785    HA   ALA 103           HA       ALA 103   8.995  21.668  -4.743
  786   1HB   ALA 103          1HB       ALA 103  10.943  22.172  -3.360
  787   2HB   ALA 103          2HB       ALA 103  11.205  22.704  -5.021
  788   3HB   ALA 103          3HB       ALA 103  11.968  21.225  -4.436
  789    H    ASP 104           H        ASP 104  11.023  18.948  -5.746
  790    HA   ASP 104           HA       ASP 104  10.860  19.655  -8.561
  791   1HB   ASP 104          2HB       ASP 104  12.873  18.543  -7.671
  792   2HB   ASP 104          1HB       ASP 104  11.905  17.147  -7.205
  793    H    GLY 105           H        GLY 105   9.148  17.703  -6.267
  794   1HA   GLY 105          2HA       GLY 105   6.843  17.052  -6.958
  795   2HA   GLY 105          1HA       GLY 105   7.584  16.433  -8.425
  796    H    VAL 106           H        VAL 106   9.913  15.480  -6.722
  797    HA   VAL 106           HA       VAL 106   9.180  12.789  -6.586
  798    HB   VAL 106           HB       VAL 106  11.458  14.123  -5.102
  799   1HG1  VAL 106          1HG1      VAL 106  11.029  11.848  -4.318
  800   2HG1  VAL 106          2HG1      VAL 106  12.544  11.927  -5.214
  801   3HG1  VAL 106          3HG1      VAL 106  11.105  11.249  -5.976
  802   1HG2  VAL 106          1HG2      VAL 106  11.528  14.679  -7.476
  803   2HG2  VAL 106          2HG2      VAL 106  11.389  12.972  -7.900
  804   3HG2  VAL 106          3HG2      VAL 106  12.829  13.560  -7.067
  805    HA   PRO 107           HA       PRO 107   6.856  12.753  -2.691
  806   1HB   PRO 107          2HB       PRO 107   7.178   9.817  -3.090
  807   2HB   PRO 107          1HB       PRO 107   5.715  10.764  -2.797
  808   1HG   PRO 107          2HG       PRO 107   6.226   9.786  -5.219
  809   2HG   PRO 107          1HG       PRO 107   5.523  11.403  -5.025
  810   1HD   PRO 107          2HD       PRO 107   8.356  10.629  -5.637
  811   2HD   PRO 107          1HD       PRO 107   7.375  11.945  -6.319
  812    H    GLN 108           H        GLN 108   8.057  13.275  -0.946
  813    HA   GLN 108           HA       GLN 108  10.550  11.880  -0.390
  814   1HB   GLN 108          2HB       GLN 108   9.295  14.295   0.933
  815   2HB   GLN 108          1HB       GLN 108  10.887  13.650   1.319
  816   1HG   GLN 108          2HG       GLN 108  10.017  14.781  -1.337
  817   2HG   GLN 108          1HG       GLN 108  11.058  15.572  -0.154
  818   1HE2  GLN 108          1HE2      GLN 108  11.545  14.798  -2.954
  819   2HE2  GLN 108          2HE2      GLN 108  12.964  13.816  -2.923
  820    H    LEU 109           H        LEU 109   9.693   9.843   0.280
  821    HA   LEU 109           HA       LEU 109   8.116   9.701   2.694
  822   1HB   LEU 109          2HB       LEU 109   9.419   7.575   1.001
  823   2HB   LEU 109          1HB       LEU 109   8.594   7.207   2.504
  824    HG   LEU 109           HG       LEU 109   6.518   8.245   1.529
  825   1HD1  LEU 109          1HD1      LEU 109   7.559   9.625  -0.173
  826   2HD1  LEU 109          2HD1      LEU 109   6.395   8.513  -0.897
  827   3HD1  LEU 109          3HD1      LEU 109   8.123   8.185  -1.022
  828   1HD2  LEU 109          1HD2      LEU 109   7.661   5.876   0.052
  829   2HD2  LEU 109          2HD2      LEU 109   5.954   6.312   0.157
  830   3HD2  LEU 109          3HD2      LEU 109   6.832   5.830   1.608
  831    H    GLY 110           H        GLY 110  11.529   9.307   1.840
  832   1HA   GLY 110          2HA       GLY 110  12.556   8.164   4.135
  833   2HA   GLY 110          1HA       GLY 110  13.406   9.367   3.178
  834    H    ASP 111           H        ASP 111  11.583  11.518   3.656
  835    HA   ASP 111           HA       ASP 111  12.320  12.293   6.351
  836   1HB   ASP 111          2HB       ASP 111  10.845  13.746   4.141
  837   2HB   ASP 111          1HB       ASP 111  11.229  14.466   5.704
  838    H    HIS 112           H        HIS 112   9.398  11.357   4.604
  839    HA   HIS 112           HA       HIS 112   7.510  12.168   6.550
  840   1HB   HIS 112          2HB       HIS 112   7.147  11.610   4.100
  841   2HB   HIS 112          1HB       HIS 112   7.236   9.914   4.557
  842    HD1  HIS 112           HD1      HIS 112   5.486  10.905   7.315
  843    HD2  HIS 112           HD2      HIS 112   4.526  10.937   3.285
  844    HE1  HIS 112           HE1      HIS 112   2.979  10.955   7.230
  845    HE2  HIS 112           HE2      HIS 112   2.437  11.220   4.792
  846    H    LEU 113           H        LEU 113   9.561   9.355   6.307
  847    HA   LEU 113           HA       LEU 113   7.915   7.804   8.165
  848   1HB   LEU 113          2HB       LEU 113  10.472   6.996   6.769
  849   2HB   LEU 113          1HB       LEU 113   9.372   5.939   7.639
  850    HG   LEU 113           HG       LEU 113   8.830   7.364   5.030
  851   1HD1  LEU 113          1HD1      LEU 113  10.245   5.405   4.804
  852   2HD1  LEU 113          2HD1      LEU 113   8.649   5.103   4.118
  853   3HD1  LEU 113          3HD1      LEU 113   9.073   4.432   5.694
  854   1HD2  LEU 113          1HD2      LEU 113   6.659   6.221   5.037
  855   2HD2  LEU 113          2HD2      LEU 113   6.803   7.371   6.364
  856   3HD2  LEU 113          3HD2      LEU 113   6.973   5.642   6.673
  857    H    ALA 114           H        ALA 114   9.452   6.360   9.676
  858    HA   ALA 114           HA       ALA 114  10.536   8.233  11.577
  859   1HB   ALA 114          1HB       ALA 114  10.782   6.294  13.041
  860   2HB   ALA 114          2HB       ALA 114  10.395   5.220  11.697
  861   3HB   ALA 114          3HB       ALA 114   9.177   6.338  12.312
  862    H    LEU 115           H        LEU 115  12.294   8.912   9.985
  863    HA   LEU 115           HA       LEU 115  14.526   7.104   9.682
  864   1HB   LEU 115          2HB       LEU 115  13.961   8.815   7.975
  865   2HB   LEU 115          1HB       LEU 115  14.375  10.072   9.125
  866    HG   LEU 115           HG       LEU 115  16.711   9.262   9.168
  867   1HD1  LEU 115          1HD1      LEU 115  17.454   7.617   7.491
  868   2HD1  LEU 115          2HD1      LEU 115  15.771   7.326   7.048
  869   3HD1  LEU 115          3HD1      LEU 115  16.342   6.917   8.667
  870   1HD2  LEU 115          1HD2      LEU 115  17.340  10.021   6.932
  871   2HD2  LEU 115          2HD2      LEU 115  16.074  11.041   7.616
  872   3HD2  LEU 115          3HD2      LEU 115  15.670   9.838   6.391
  873    H    GLU 116           H        GLU 116  14.787   6.654  11.982
  874    HA   GLU 116           HA       GLU 116  16.105   8.800  13.518
  875   1HB   GLU 116          2HB       GLU 116  15.126   6.097  14.469
  876   2HB   GLU 116          1HB       GLU 116  15.768   7.381  15.484
  877   1HG   GLU 116          2HG       GLU 116  13.855   8.801  14.881
  878   2HG   GLU 116          1HG       GLU 116  13.213   7.495  13.882
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1   6.511  -2.709  13.256
    2   2H    MET   1          2H        MET   1   7.250  -3.346  14.639
    3   3H    MET   1          3H        MET   1   7.120  -4.288  13.240
    4    HA   MET   1           HA       MET   1   8.716  -1.807  13.522
    5   1HB   MET   1          2HB       MET   1   9.505  -4.723  13.457
    6   2HB   MET   1          1HB       MET   1  10.650  -3.429  13.140
    7   1HG   MET   1          2HG       MET   1  10.328  -2.540  15.361
    8   2HG   MET   1          1HG       MET   1   9.065  -3.726  15.684
    9   1HE   MET   1          1HE       MET   1  12.931  -3.216  15.013
   10   2HE   MET   1          2HE       MET   1  12.417  -4.315  13.734
   11   3HE   MET   1          3HE       MET   1  13.485  -4.890  15.015
   12    H    THR   2           H        THR   2   8.141  -4.661  11.423
   13    HA   THR   2           HA       THR   2   9.336  -3.367   9.153
   14    HB   THR   2           HB       THR   2   7.642  -5.881   9.227
   15    HG1  THR   2           HG1      THR   2   9.411  -6.428  10.339
   16   1HG2  THR   2          1HG2      THR   2   8.719  -6.406   7.076
   17   2HG2  THR   2          2HG2      THR   2   9.519  -4.835   7.094
   18   3HG2  THR   2          3HG2      THR   2   7.762  -4.927   6.975
   19    H    LEU   3           H        LEU   3   8.134  -1.435   8.977
   20    HA   LEU   3           HA       LEU   3   5.333  -1.459   8.348
   21   1HB   LEU   3          2HB       LEU   3   7.469   0.660   8.090
   22   2HB   LEU   3          1HB       LEU   3   5.797   0.934   7.636
   23    HG   LEU   3           HG       LEU   3   6.712   0.178  10.419
   24   1HD1  LEU   3          1HD1      LEU   3   6.249   2.494  11.021
   25   2HD1  LEU   3          2HD1      LEU   3   5.865   2.872   9.342
   26   3HD1  LEU   3          3HD1      LEU   3   7.508   2.409   9.789
   27   1HD2  LEU   3          1HD2      LEU   3   4.021   1.098   9.393
   28   2HD2  LEU   3          2HD2      LEU   3   4.435   0.776  11.078
   29   3HD2  LEU   3          3HD2      LEU   3   4.429  -0.540   9.906
   30    H    ILE   4           H        ILE   4   4.624  -2.352   6.527
   31    HA   ILE   4           HA       ILE   4   6.189  -2.135   4.054
   32    HB   ILE   4           HB       ILE   4   4.481  -3.701   3.113
   33   1HG1  ILE   4          2HG1      ILE   4   3.457  -3.615   5.966
   34   2HG1  ILE   4          1HG1      ILE   4   2.561  -3.257   4.494
   35   1HG2  ILE   4          1HG2      ILE   4   6.614  -4.502   4.002
   36   2HG2  ILE   4          2HG2      ILE   4   5.329  -5.670   4.299
   37   3HG2  ILE   4          3HG2      ILE   4   5.903  -4.642   5.612
   38   1HD1  ILE   4          1HD1      ILE   4   1.880  -5.385   5.342
   39   2HD1  ILE   4          2HD1      ILE   4   3.550  -5.945   5.406
   40   3HD1  ILE   4          3HD1      ILE   4   2.783  -5.637   3.849
   41    H    TYR   5           H        TYR   5   5.543  -0.999   2.281
   42    HA   TYR   5           HA       TYR   5   3.261   0.829   2.692
   43   1HB   TYR   5          2HB       TYR   5   5.907   1.371   1.322
   44   2HB   TYR   5          1HB       TYR   5   4.560   2.504   1.393
   45    HD1  TYR   5           HD2      TYR   5   7.038   0.682   3.475
   46    HD2  TYR   5           HD1      TYR   5   4.234   3.887   3.296
   47    HE1  TYR   5           HE2      TYR   5   7.883   1.541   5.619
   48    HE2  TYR   5           HE1      TYR   5   5.072   4.748   5.440
   49    HH   TYR   5           HH       TYR   5   7.952   3.612   6.882
   50    H    LYS   6           H        LYS   6   2.129   1.601   0.884
   51    HA   LYS   6           HA       LYS   6   2.689   0.581  -1.778
   52   1HB   LYS   6          2HB       LYS   6   1.318  -1.224  -0.832
   53   2HB   LYS   6          1HB       LYS   6   0.076  -0.065  -0.385
   54   1HG   LYS   6          2HG       LYS   6  -0.263   0.460  -2.779
   55   2HG   LYS   6          1HG       LYS   6   0.930  -0.773  -3.192
   56   1HD   LYS   6          2HD       LYS   6  -0.469  -2.487  -2.140
   57   2HD   LYS   6          1HD       LYS   6  -1.652  -1.258  -1.694
   58   1HE   LYS   6          2HE       LYS   6  -2.404  -2.441  -3.667
   59   2HE   LYS   6          1HE       LYS   6  -2.023  -0.773  -4.084
   60   1HZ   LYS   6          1HZ       LYS   6  -0.019  -2.901  -4.441
   61   2HZ   LYS   6          2HZ       LYS   6  -0.136  -1.409  -5.233
   62   3HZ   LYS   6          3HZ       LYS   6  -1.218  -2.658  -5.604
   63    H    ILE   7           H        ILE   7   2.223   2.134  -3.242
   64    HA   ILE   7           HA       ILE   7   0.614   4.435  -2.373
   65    HB   ILE   7           HB       ILE   7   2.402   4.177  -4.809
   66   1HG1  ILE   7          2HG1      ILE   7   2.907   5.558  -2.152
   67   2HG1  ILE   7          1HG1      ILE   7   3.667   4.061  -2.684
   68   1HG2  ILE   7          1HG2      ILE   7   2.195   6.637  -4.914
   69   2HG2  ILE   7          2HG2      ILE   7   1.034   6.581  -3.588
   70   3HG2  ILE   7          3HG2      ILE   7   0.645   5.824  -5.134
   71   1HD1  ILE   7          1HD1      ILE   7   5.160   5.951  -2.943
   72   2HD1  ILE   7          2HD1      ILE   7   3.983   6.767  -3.971
   73   3HD1  ILE   7          3HD1      ILE   7   4.745   5.272  -4.517
   74    H    LEU   8           H        LEU   8  -1.442   4.612  -3.045
   75    HA   LEU   8           HA       LEU   8  -2.221   3.478  -5.649
   76   1HB   LEU   8          2HB       LEU   8  -4.130   2.378  -4.825
   77   2HB   LEU   8          1HB       LEU   8  -2.826   1.904  -3.756
   78    HG   LEU   8           HG       LEU   8  -4.887   4.026  -3.108
   79   1HD1  LEU   8          1HD1      LEU   8  -5.935   1.840  -3.271
   80   2HD1  LEU   8          2HD1      LEU   8  -5.856   2.367  -1.591
   81   3HD1  LEU   8          3HD1      LEU   8  -4.721   1.155  -2.186
   82   1HD2  LEU   8          1HD2      LEU   8  -2.834   4.419  -1.910
   83   2HD2  LEU   8          2HD2      LEU   8  -2.746   2.728  -1.419
   84   3HD2  LEU   8          3HD2      LEU   8  -4.032   3.762  -0.795
   85    H    SER   9           H        SER   9  -4.250   4.355  -6.495
   86    HA   SER   9           HA       SER   9  -4.349   7.185  -6.201
   87   1HB   SER   9          2HB       SER   9  -6.321   6.938  -7.808
   88   2HB   SER   9          1HB       SER   9  -4.770   6.312  -8.362
   89    HG   SER   9           HG       SER   9  -7.108   4.982  -7.788
   90    H    ARG  10           H        ARG  10  -6.183   8.487  -5.632
   91    HA   ARG  10           HA       ARG  10  -6.988   7.957  -3.008
   92   1HB   ARG  10          2HB       ARG  10  -6.703  10.203  -4.070
   93   2HB   ARG  10          1HB       ARG  10  -8.232   9.959  -4.899
   94   1HG   ARG  10          2HG       ARG  10  -8.579  11.361  -2.977
   95   2HG   ARG  10          1HG       ARG  10  -9.361   9.803  -2.703
   96   1HD   ARG  10          2HD       ARG  10  -8.124  10.693  -0.724
   97   2HD   ARG  10          1HD       ARG  10  -7.593   9.095  -1.243
   98    HE   ARG  10           HE       ARG  10  -5.650  10.159  -2.234
   99   1HH1  ARG  10          1HH1      ARG  10  -7.465  12.088  -0.043
  100   2HH1  ARG  10          2HH1      ARG  10  -6.122  13.102   0.341
  101   1HH2  ARG  10          1HH2      ARG  10  -3.925  11.455  -1.715
  102   2HH2  ARG  10          2HH2      ARG  10  -4.132  12.736  -0.574
  103    H    ALA  11           H        ALA  11  -9.141   8.194  -5.870
  104    HA   ALA  11           HA       ALA  11 -11.517   7.579  -4.549
  105   1HB   ALA  11          1HB       ALA  11 -12.484   7.202  -6.723
  106   2HB   ALA  11          2HB       ALA  11 -10.890   6.951  -7.435
  107   3HB   ALA  11          3HB       ALA  11 -11.345   8.544  -6.829
  108    H    GLU  12           H        GLU  12  -9.108   5.397  -5.916
  109    HA   GLU  12           HA       GLU  12 -10.635   3.009  -5.643
  110   1HB   GLU  12          2HB       GLU  12  -7.706   3.601  -6.000
  111   2HB   GLU  12          1HB       GLU  12  -8.250   1.958  -5.690
  112   1HG   GLU  12          2HG       GLU  12  -7.895   2.569  -8.105
  113   2HG   GLU  12          1HG       GLU  12  -9.459   1.860  -7.711
  114    H    TRP  13           H        TRP  13  -8.318   4.673  -3.528
  115    HA   TRP  13           HA       TRP  13  -8.343   2.780  -1.429
  116   1HB   TRP  13          2HB       TRP  13  -6.620   4.470  -1.471
  117   2HB   TRP  13          1HB       TRP  13  -7.811   5.764  -1.413
  118    HD1  TRP  13           HD1      TRP  13  -7.786   6.870   0.882
  119    HE1  TRP  13           HE1      TRP  13  -7.506   6.098   3.323
  120    HE3  TRP  13           HE3      TRP  13  -7.053   1.872   0.073
  121    HZ2  TRP  13           HZ2      TRP  13  -7.049   3.689   4.715
  122    HZ3  TRP  13           HZ3      TRP  13  -6.705   0.405   2.015
  123    HH2  TRP  13           HH2      TRP  13  -6.702   1.294   4.290
  124    H    ASP  14           H        ASP  14 -10.295   5.724  -1.953
  125    HA   ASP  14           HA       ASP  14 -11.910   5.463   0.332
  126   1HB   ASP  14          2HB       ASP  14 -12.266   6.867  -2.298
  127   2HB   ASP  14          1HB       ASP  14 -13.574   6.835  -1.118
  128    H    ALA  15           H        ALA  15 -12.303   4.092  -2.925
  129    HA   ALA  15           HA       ALA  15 -14.852   2.952  -2.557
  130   1HB   ALA  15          1HB       ALA  15 -14.303   1.477  -4.408
  131   2HB   ALA  15          2HB       ALA  15 -12.591   1.870  -4.243
  132   3HB   ALA  15          3HB       ALA  15 -13.736   3.113  -4.749
  133    H    ALA  16           H        ALA  16 -11.634   1.438  -2.172
  134    HA   ALA  16           HA       ALA  16 -12.487  -0.985  -1.046
  135   1HB   ALA  16          1HB       ALA  16  -9.900   0.484  -0.519
  136   2HB   ALA  16          2HB       ALA  16 -10.210  -0.582  -1.891
  137   3HB   ALA  16          3HB       ALA  16 -10.199  -1.234  -0.252
  138    H    LYS  17           H        LYS  17 -11.762   2.117   0.451
  139    HA   LYS  17           HA       LYS  17 -12.035   1.315   3.156
  140   1HB   LYS  17          2HB       LYS  17 -10.854   3.341   2.487
  141   2HB   LYS  17          1HB       LYS  17 -12.336   4.027   1.848
  142   1HG   LYS  17          2HG       LYS  17 -13.211   4.440   3.970
  143   2HG   LYS  17          1HG       LYS  17 -12.123   3.285   4.745
  144   1HD   LYS  17          2HD       LYS  17 -11.504   5.659   5.180
  145   2HD   LYS  17          1HD       LYS  17 -10.228   4.734   4.392
  146   1HE   LYS  17          2HE       LYS  17 -10.313   6.864   3.323
  147   2HE   LYS  17          1HE       LYS  17 -11.008   5.698   2.199
  148   1HZ   LYS  17          1HZ       LYS  17 -12.334   7.680   2.255
  149   2HZ   LYS  17          2HZ       LYS  17 -12.502   7.589   3.933
  150   3HZ   LYS  17          3HZ       LYS  17 -13.222   6.418   2.948
  151    H    ALA  18           H        ALA  18 -14.339   2.477   0.752
  152    HA   ALA  18           HA       ALA  18 -16.608   2.595   2.460
  153   1HB   ALA  18          1HB       ALA  18 -17.926   2.587   0.414
  154   2HB   ALA  18          2HB       ALA  18 -16.524   2.058  -0.517
  155   3HB   ALA  18          3HB       ALA  18 -16.534   3.655   0.231
  156    H    GLN  19           H        GLN  19 -15.133   0.024   0.553
  157    HA   GLN  19           HA       GLN  19 -17.096  -1.981   1.148
  158   1HB   GLN  19          2HB       GLN  19 -14.210  -2.372   0.304
  159   2HB   GLN  19          1HB       GLN  19 -15.504  -3.557   0.190
  160   1HG   GLN  19          2HG       GLN  19 -15.335  -0.971  -1.349
  161   2HG   GLN  19          1HG       GLN  19 -14.987  -2.579  -1.979
  162   1HE2  GLN  19          1HE2      GLN  19 -16.946  -0.619  -2.859
  163   2HE2  GLN  19          2HE2      GLN  19 -18.485  -1.395  -2.762
  164    H    GLY  20           H        GLY  20 -14.249  -0.763   2.737
  165   1HA   GLY  20          2HA       GLY  20 -13.583  -1.149   4.956
  166   2HA   GLY  20          1HA       GLY  20 -14.658  -2.536   5.022
  167    H    ARG  21           H        ARG  21 -12.877  -2.680   2.201
  168    HA   ARG  21           HA       ARG  21 -10.598  -4.115   3.283
  169   1HB   ARG  21          2HB       ARG  21 -11.204  -6.240   2.108
  170   2HB   ARG  21          1HB       ARG  21 -12.258  -5.855   3.462
  171   1HG   ARG  21          2HG       ARG  21 -13.964  -5.028   1.938
  172   2HG   ARG  21          1HG       ARG  21 -12.905  -5.334   0.562
  173   1HD   ARG  21          2HD       ARG  21 -12.969  -7.716   0.989
  174   2HD   ARG  21          1HD       ARG  21 -13.910  -7.459   2.460
  175    HE   ARG  21           HE       ARG  21 -15.342  -6.315   0.380
  176   1HH1  ARG  21          1HH1      ARG  21 -14.250  -9.460   1.258
  177   2HH1  ARG  21          2HH1      ARG  21 -15.601 -10.248   0.527
  178   1HH2  ARG  21          1HH2      ARG  21 -17.055  -7.332  -0.554
  179   2HH2  ARG  21          2HH2      ARG  21 -17.180  -9.059  -0.477
  180    H    PHE  22           H        PHE  22  -8.909  -3.808   1.949
  181    HA   PHE  22           HA       PHE  22  -9.387  -3.077  -0.847
  182   1HB   PHE  22          2HB       PHE  22  -7.829  -1.677   0.488
  183   2HB   PHE  22          1HB       PHE  22  -6.793  -3.081   0.726
  184    HD1  PHE  22           HD1      PHE  22  -8.384  -1.158  -2.057
  185    HD2  PHE  22           HD2      PHE  22  -4.983  -3.337  -0.703
  186    HE1  PHE  22           HE1      PHE  22  -7.214  -0.631  -4.151
  187    HE2  PHE  22           HE2      PHE  22  -3.814  -2.810  -2.799
  188    HZ   PHE  22           HZ       PHE  22  -4.927  -1.457  -4.525
  189    H    GLU  23           H        GLU  23  -9.837  -4.933  -1.929
  190    HA   GLU  23           HA       GLU  23  -8.509  -7.416  -1.470
  191   1HB   GLU  23          2HB       GLU  23 -10.206  -6.513  -3.811
  192   2HB   GLU  23          1HB       GLU  23  -9.705  -8.171  -3.504
  193   1HG   GLU  23          2HG       GLU  23 -10.945  -8.137  -1.378
  194   2HG   GLU  23          1HG       GLU  23 -11.484  -6.496  -1.736
  195    H    GLY  24           H        GLY  24  -8.106  -4.804  -3.803
  196   1HA   GLY  24          2HA       GLY  24  -5.573  -4.598  -4.263
  197   2HA   GLY  24          1HA       GLY  24  -5.774  -6.197  -4.959
  198    H    SER  25           H        SER  25  -4.809  -3.883  -6.307
  199    HA   SER  25           HA       SER  25  -6.892  -3.031  -8.146
  200   1HB   SER  25          2HB       SER  25  -5.132  -1.438  -7.569
  201   2HB   SER  25          1HB       SER  25  -3.891  -2.551  -8.143
  202    HG   SER  25           HG       SER  25  -4.536  -0.827  -9.631
  203    H    ALA  26           H        ALA  26  -6.371  -3.214 -10.583
  204    HA   ALA  26           HA       ALA  26  -6.466  -5.871 -11.396
  205   1HB   ALA  26          1HB       ALA  26  -6.127  -5.045 -13.673
  206   2HB   ALA  26          2HB       ALA  26  -5.568  -3.498 -13.038
  207   3HB   ALA  26          3HB       ALA  26  -7.238  -4.004 -12.782
  208    H    VAL  27           H        VAL  27  -3.673  -3.685 -11.340
  209    HA   VAL  27           HA       VAL  27  -1.741  -5.443 -12.386
  210    HB   VAL  27           HB       VAL  27  -1.306  -3.230 -10.357
  211   1HG1  VAL  27          1HG1      VAL  27   0.966  -3.127 -11.266
  212   2HG1  VAL  27          2HG1      VAL  27   0.609  -4.489 -12.328
  213   3HG1  VAL  27          3HG1      VAL  27   0.627  -4.717 -10.579
  214   1HG2  VAL  27          1HG2      VAL  27  -1.336  -3.125 -13.380
  215   2HG2  VAL  27          2HG2      VAL  27  -0.836  -1.805 -12.322
  216   3HG2  VAL  27          3HG2      VAL  27  -2.504  -2.376 -12.292
  217    H    ASP  28           H        ASP  28  -3.056  -5.109  -9.142
  218    HA   ASP  28           HA       ASP  28  -1.077  -6.714  -7.855
  219   1HB   ASP  28          2HB       ASP  28  -3.858  -5.951  -6.940
  220   2HB   ASP  28          1HB       ASP  28  -2.627  -6.698  -5.925
  221    H    LEU  29           H        LEU  29  -4.444  -7.372  -8.849
  222    HA   LEU  29           HA       LEU  29  -4.408 -10.120  -8.206
  223   1HB   LEU  29          2HB       LEU  29  -6.095  -8.482 -10.075
  224   2HB   LEU  29          1HB       LEU  29  -6.286 -10.222  -9.989
  225    HG   LEU  29           HG       LEU  29  -6.847 -10.051  -7.596
  226   1HD1  LEU  29          1HD1      LEU  29  -6.675  -7.068  -8.008
  227   2HD1  LEU  29          2HD1      LEU  29  -5.586  -8.048  -7.027
  228   3HD1  LEU  29          3HD1      LEU  29  -7.279  -7.883  -6.564
  229   1HD2  LEU  29          1HD2      LEU  29  -8.522  -8.266  -9.369
  230   2HD2  LEU  29          2HD2      LEU  29  -9.054  -9.026  -7.868
  231   3HD2  LEU  29          3HD2      LEU  29  -8.633 -10.023  -9.259
  232    H    ALA  30           H        ALA  30  -3.423  -8.406 -11.139
  233    HA   ALA  30           HA       ALA  30  -2.981 -10.668 -12.780
  234   1HB   ALA  30          1HB       ALA  30  -3.089  -8.386 -13.654
  235   2HB   ALA  30          2HB       ALA  30  -1.591  -9.182 -14.137
  236   3HB   ALA  30          3HB       ALA  30  -1.580  -7.993 -12.833
  237    H    ASP  31           H        ASP  31  -0.970  -9.072 -10.366
  238    HA   ASP  31           HA       ASP  31   1.375 -10.664 -10.887
  239   1HB   ASP  31          2HB       ASP  31   1.572  -8.416  -9.970
  240   2HB   ASP  31          1HB       ASP  31   0.619  -8.876  -8.564
  241    H    GLY  32           H        GLY  32  -1.314 -10.770  -8.611
  242   1HA   GLY  32          2HA       GLY  32  -2.024 -12.875  -7.637
  243   2HA   GLY  32          1HA       GLY  32  -0.337 -13.369  -7.592
  244    H    PHE  33           H        PHE  33   0.315 -10.533  -6.693
  245    HA   PHE  33           HA       PHE  33  -0.667 -10.661  -3.910
  246   1HB   PHE  33          2HB       PHE  33   2.144  -9.843  -4.649
  247   2HB   PHE  33          1HB       PHE  33   1.506 -10.177  -3.049
  248    HD1  PHE  33           HD2      PHE  33   2.700 -11.669  -6.188
  249    HD2  PHE  33           HD1      PHE  33   1.293 -12.451  -2.243
  250    HE1  PHE  33           HE2      PHE  33   3.479 -13.991  -6.374
  251    HE2  PHE  33           HE1      PHE  33   2.079 -14.777  -2.429
  252    HZ   PHE  33           HZ       PHE  33   3.169 -15.550  -4.493
  253    H    ILE  34           H        ILE  34  -0.442  -8.546  -2.763
  254    HA   ILE  34           HA       ILE  34  -1.676  -6.541  -4.397
  255    HB   ILE  34           HB       ILE  34  -0.907  -6.361  -1.473
  256   1HG1  ILE  34          2HG1      ILE  34  -3.464  -7.374  -2.755
  257   2HG1  ILE  34          1HG1      ILE  34  -2.279  -8.357  -1.897
  258   1HG2  ILE  34          1HG2      ILE  34  -2.990  -4.859  -3.075
  259   2HG2  ILE  34          2HG2      ILE  34  -1.492  -4.194  -2.421
  260   3HG2  ILE  34          3HG2      ILE  34  -2.762  -4.742  -1.329
  261   1HD1  ILE  34          1HD1      ILE  34  -4.224  -7.904  -0.517
  262   2HD1  ILE  34          2HD1      ILE  34  -3.963  -6.168  -0.686
  263   3HD1  ILE  34          3HD1      ILE  34  -2.781  -7.160   0.169
  264    H    HIS  35           H        HIS  35   1.439  -7.118  -4.496
  265    HA   HIS  35           HA       HIS  35   3.412  -5.960  -4.713
  266   1HB   HIS  35          2HB       HIS  35   1.474  -3.858  -5.710
  267   2HB   HIS  35          1HB       HIS  35   3.219  -3.733  -5.873
  268    HD1  HIS  35           HD1      HIS  35   4.101  -4.536  -8.033
  269    HD2  HIS  35           HD2      HIS  35   0.462  -6.290  -7.098
  270    HE1  HIS  35           HE1      HIS  35   3.468  -5.873 -10.056
  271    HE2  HIS  35           HE2      HIS  35   1.158  -6.725  -9.549
  272    H    LEU  36           H        LEU  36   4.003  -5.780  -2.481
  273    HA   LEU  36           HA       LEU  36   3.626  -3.065  -1.377
  274   1HB   LEU  36          2HB       LEU  36   4.160  -5.607   0.172
  275   2HB   LEU  36          1HB       LEU  36   3.922  -4.009   0.854
  276    HG   LEU  36           HG       LEU  36   1.838  -5.646  -0.610
  277   1HD1  LEU  36          1HD1      LEU  36   2.050  -4.851   2.291
  278   2HD1  LEU  36          2HD1      LEU  36   2.341  -6.463   1.637
  279   3HD1  LEU  36          3HD1      LEU  36   0.728  -5.756   1.552
  280   1HD2  LEU  36          1HD2      LEU  36   1.534  -3.270  -1.056
  281   2HD2  LEU  36          2HD2      LEU  36   1.610  -2.918   0.671
  282   3HD2  LEU  36          3HD2      LEU  36   0.273  -3.869   0.021
  283    H    SER  37           H        SER  37   5.457  -2.160  -0.202
  284    HA   SER  37           HA       SER  37   8.070  -3.377  -0.787
  285   1HB   SER  37          2HB       SER  37   7.283  -0.567  -1.603
  286   2HB   SER  37          1HB       SER  37   8.927  -1.198  -1.649
  287    HG   SER  37           HG       SER  37   7.268  -2.889  -2.923
  288    H    ALA  38           H        ALA  38   9.757  -2.755   0.572
  289    HA   ALA  38           HA       ALA  38   9.051  -1.675   3.142
  290   1HB   ALA  38          1HB       ALA  38  11.405  -2.027   3.704
  291   2HB   ALA  38          2HB       ALA  38  11.777  -2.334   2.007
  292   3HB   ALA  38          3HB       ALA  38  10.735  -3.445   2.895
  293    H    GLY  39           H        GLY  39  10.857   0.010   4.043
  294   1HA   GLY  39          2HA       GLY  39  10.159   2.518   3.178
  295   2HA   GLY  39          1HA       GLY  39  11.651   2.177   4.033
  296    H    GLU  40           H        GLU  40  13.405   1.176   2.481
  297    HA   GLU  40           HA       GLU  40  14.190   3.070   0.607
  298   1HB   GLU  40          2HB       GLU  40  14.951   0.138   0.693
  299   2HB   GLU  40          1HB       GLU  40  15.818   1.382  -0.194
  300   1HG   GLU  40          2HG       GLU  40  15.487   1.258   2.799
  301   2HG   GLU  40          1HG       GLU  40  16.932   0.804   1.900
  302    H    GLN  41           H        GLN  41  12.642  -0.074   0.010
  303    HA   GLN  41           HA       GLN  41  12.653   0.018  -2.795
  304   1HB   GLN  41          2HB       GLN  41  10.750  -1.416  -0.928
  305   2HB   GLN  41          1HB       GLN  41  10.918  -1.750  -2.648
  306   1HG   GLN  41          2HG       GLN  41  13.173  -2.526  -2.335
  307   2HG   GLN  41          1HG       GLN  41  13.158  -2.028  -0.643
  308   1HE2  GLN  41          1HE2      GLN  41  13.631  -4.663  -1.820
  309   2HE2  GLN  41          2HE2      GLN  41  12.456  -5.712  -1.107
  310    H    ALA  42           H        ALA  42  10.371   1.324  -0.459
  311    HA   ALA  42           HA       ALA  42   8.289   1.942  -2.312
  312   1HB   ALA  42          1HB       ALA  42   7.878   1.715   0.105
  313   2HB   ALA  42          2HB       ALA  42   7.333   3.276  -0.511
  314   3HB   ALA  42          3HB       ALA  42   8.842   3.163   0.397
  315    H    GLN  43           H        GLN  43  10.917   3.840  -0.853
  316    HA   GLN  43           HA       GLN  43  10.335   6.277  -2.167
  317   1HB   GLN  43          2HB       GLN  43  11.773   6.111  -0.163
  318   2HB   GLN  43          1HB       GLN  43  12.994   5.274  -1.110
  319   1HG   GLN  43          2HG       GLN  43  13.571   7.619  -0.766
  320   2HG   GLN  43          1HG       GLN  43  13.339   7.257  -2.475
  321   1HE2  GLN  43          1HE2      GLN  43  10.671   7.678  -0.244
  322   2HE2  GLN  43          2HE2      GLN  43  10.107   9.164  -0.918
  323    H    GLU  44           H        GLU  44  12.351   3.511  -3.078
  324    HA   GLU  44           HA       GLU  44  13.438   4.581  -5.458
  325   1HB   GLU  44          2HB       GLU  44  14.200   2.491  -4.294
  326   2HB   GLU  44          1HB       GLU  44  12.753   1.681  -4.867
  327   1HG   GLU  44          2HG       GLU  44  14.748   2.915  -6.751
  328   2HG   GLU  44          1HG       GLU  44  14.936   1.280  -6.131
  329    H    THR  45           H        THR  45  10.653   2.363  -5.057
  330    HA   THR  45           HA       THR  45   9.641   2.496  -7.643
  331    HB   THR  45           HB       THR  45   8.083   2.205  -5.060
  332    HG1  THR  45           HG1      THR  45   9.226   0.402  -5.094
  333   1HG2  THR  45          1HG2      THR  45   7.265   1.504  -7.889
  334   2HG2  THR  45          2HG2      THR  45   6.585   2.801  -6.906
  335   3HG2  THR  45          3HG2      THR  45   6.353   1.119  -6.429
  336    H    ALA  46           H        ALA  46   9.268   4.788  -4.995
  337    HA   ALA  46           HA       ALA  46   7.300   6.433  -6.198
  338   1HB   ALA  46          1HB       ALA  46   7.881   6.572  -3.816
  339   2HB   ALA  46          2HB       ALA  46   8.007   8.143  -4.607
  340   3HB   ALA  46          3HB       ALA  46   9.466   7.220  -4.239
  341    H    ALA  47           H        ALA  47  10.860   6.904  -6.027
  342    HA   ALA  47           HA       ALA  47  10.894   9.163  -7.719
  343   1HB   ALA  47          1HB       ALA  47  13.317   8.830  -7.810
  344   2HB   ALA  47          2HB       ALA  47  13.125   7.213  -7.128
  345   3HB   ALA  47          3HB       ALA  47  12.708   8.632  -6.167
  346    H    LYS  48           H        LYS  48  10.867   5.759  -8.440
  347    HA   LYS  48           HA       LYS  48  11.701   6.121 -11.203
  348   1HB   LYS  48          2HB       LYS  48  12.333   4.123  -9.820
  349   2HB   LYS  48          1HB       LYS  48  10.648   3.629  -9.844
  350   1HG   LYS  48          2HG       LYS  48  11.878   2.379 -11.493
  351   2HG   LYS  48          1HG       LYS  48  10.757   3.474 -12.310
  352   1HD   LYS  48          2HD       LYS  48  12.586   5.047 -12.729
  353   2HD   LYS  48          1HD       LYS  48  13.707   3.986 -11.872
  354   1HE   LYS  48          2HE       LYS  48  13.921   3.727 -14.291
  355   2HE   LYS  48          1HE       LYS  48  13.344   2.239 -13.544
  356   1HZ   LYS  48          1HZ       LYS  48  12.161   2.826 -15.606
  357   2HZ   LYS  48          2HZ       LYS  48  11.586   4.235 -14.865
  358   3HZ   LYS  48          3HZ       LYS  48  11.127   2.719 -14.273
  359    H    TRP  49           H        TRP  49   8.719   5.236  -9.469
  360    HA   TRP  49           HA       TRP  49   7.214   5.424 -12.007
  361   1HB   TRP  49          2HB       TRP  49   6.506   3.903  -9.484
  362   2HB   TRP  49          1HB       TRP  49   5.531   3.962 -10.947
  363    HD1  TRP  49           HD1      TRP  49   8.814   2.472  -9.604
  364    HE1  TRP  49           HE1      TRP  49   9.495   0.507 -11.118
  365    HE3  TRP  49           HE3      TRP  49   5.280   2.997 -13.266
  366    HZ2  TRP  49           HZ2      TRP  49   8.649  -0.669 -13.531
  367    HZ3  TRP  49           HZ3      TRP  49   5.285   1.401 -15.141
  368    HH2  TRP  49           HH2      TRP  49   6.935  -0.393 -15.270
  369    H    PHE  50           H        PHE  50   6.929   6.189  -8.508
  370    HA   PHE  50           HA       PHE  50   4.534   7.791  -9.138
  371   1HB   PHE  50          2HB       PHE  50   5.406   6.549  -6.521
  372   2HB   PHE  50          1HB       PHE  50   4.037   7.635  -6.689
  373    HD1  PHE  50           HD1      PHE  50   2.031   6.952  -7.893
  374    HD2  PHE  50           HD2      PHE  50   5.277   4.259  -7.280
  375    HE1  PHE  50           HE1      PHE  50   0.563   5.057  -8.464
  376    HE2  PHE  50           HE2      PHE  50   3.813   2.361  -7.849
  377    HZ   PHE  50           HZ       PHE  50   1.455   2.758  -8.442
  378    H    ARG  51           H        ARG  51   6.510   9.190  -9.901
  379    HA   ARG  51           HA       ARG  51   7.209  11.037  -7.713
  380   1HB   ARG  51          2HB       ARG  51   8.961  11.853  -9.146
  381   2HB   ARG  51          1HB       ARG  51   9.060  10.104  -9.075
  382   1HG   ARG  51          2HG       ARG  51   7.893   9.986 -11.252
  383   2HG   ARG  51          1HG       ARG  51   7.929  11.750 -11.332
  384   1HD   ARG  51          2HD       ARG  51  10.386  11.676 -11.187
  385   2HD   ARG  51          1HD       ARG  51  10.313   9.915 -11.192
  386    HE   ARG  51           HE       ARG  51   9.027  11.160 -13.445
  387   1HH1  ARG  51          1HH1      ARG  51  11.958   9.886 -12.183
  388   2HH1  ARG  51          2HH1      ARG  51  12.668   9.662 -13.740
  389   1HH2  ARG  51          1HH2      ARG  51   9.932  10.867 -15.449
  390   2HH2  ARG  51          2HH2      ARG  51  11.530  10.222 -15.579
  391    H    GLY  52           H        GLY  52   4.887  10.604  -9.941
  392   1HA   GLY  52          2HA       GLY  52   4.338  13.505 -10.166
  393   2HA   GLY  52          1HA       GLY  52   3.686  12.282 -11.248
  394    H    GLN  53           H        GLN  53   3.779  12.914  -7.736
  395    HA   GLN  53           HA       GLN  53   1.370  11.444  -7.261
  396   1HB   GLN  53          2HB       GLN  53   2.740  13.360  -5.362
  397   2HB   GLN  53          1HB       GLN  53   1.655  12.042  -4.948
  398   1HG   GLN  53          2HG       GLN  53   4.405  11.737  -6.149
  399   2HG   GLN  53          1HG       GLN  53   3.993  11.510  -4.454
  400   1HE2  GLN  53          1HE2      GLN  53   4.619   9.395  -4.374
  401   2HE2  GLN  53          2HE2      GLN  53   3.783   8.130  -5.185
  402    H    ALA  54           H        ALA  54  -0.586  12.205  -7.865
  403    HA   ALA  54           HA       ALA  54  -1.108  15.091  -7.611
  404   1HB   ALA  54          1HB       ALA  54  -2.836  14.831  -9.306
  405   2HB   ALA  54          2HB       ALA  54  -2.540  13.093  -9.359
  406   3HB   ALA  54          3HB       ALA  54  -1.290  14.217  -9.896
  407    H    ASN  55           H        ASN  55  -3.107  12.145  -7.557
  408    HA   ASN  55           HA       ASN  55  -4.367  13.074  -5.087
  409   1HB   ASN  55          2HB       ASN  55  -6.616  12.483  -6.033
  410   2HB   ASN  55          1HB       ASN  55  -5.858  13.879  -6.788
  411   1HD2  ASN  55          1HD2      ASN  55  -7.924  12.260  -7.880
  412   2HD2  ASN  55          2HD2      ASN  55  -7.316  11.561  -9.335
  413    H    LEU  56           H        LEU  56  -2.632  11.276  -4.690
  414    HA   LEU  56           HA       LEU  56  -4.091   8.734  -4.483
  415   1HB   LEU  56          2HB       LEU  56  -1.695   7.778  -4.665
  416   2HB   LEU  56          1HB       LEU  56  -2.565   8.218  -6.112
  417    HG   LEU  56           HG       LEU  56  -1.275  10.512  -5.756
  418   1HD1  LEU  56          1HD1      LEU  56   0.574   8.526  -4.441
  419   2HD1  LEU  56          2HD1      LEU  56  -0.244   9.868  -3.638
  420   3HD1  LEU  56          3HD1      LEU  56   0.965  10.188  -4.880
  421   1HD2  LEU  56          1HD2      LEU  56   0.058   8.057  -6.902
  422   2HD2  LEU  56          2HD2      LEU  56   0.429   9.740  -7.293
  423   3HD2  LEU  56          3HD2      LEU  56  -1.138   9.060  -7.726
  424    H    VAL  57           H        VAL  57  -2.639   7.241  -2.892
  425    HA   VAL  57           HA       VAL  57  -2.022   8.803  -0.469
  426    HB   VAL  57           HB       VAL  57  -3.824   6.362  -0.524
  427   1HG1  VAL  57          1HG1      VAL  57  -2.465   6.417   1.499
  428   2HG1  VAL  57          2HG1      VAL  57  -4.146   6.788   1.881
  429   3HG1  VAL  57          3HG1      VAL  57  -2.952   8.085   1.805
  430   1HG2  VAL  57          1HG2      VAL  57  -5.589   7.904   0.252
  431   2HG2  VAL  57          2HG2      VAL  57  -4.998   8.310  -1.359
  432   3HG2  VAL  57          3HG2      VAL  57  -4.478   9.258   0.034
  433    H    LEU  58           H        LEU  58  -0.525   7.892   0.920
  434    HA   LEU  58           HA       LEU  58   0.930   5.515  -0.020
  435   1HB   LEU  58          2HB       LEU  58   2.277   7.519   0.338
  436   2HB   LEU  58          1HB       LEU  58   1.671   7.666   1.977
  437    HG   LEU  58           HG       LEU  58   2.799   5.528   2.558
  438   1HD1  LEU  58          1HD1      LEU  58   4.460   4.590   1.028
  439   2HD1  LEU  58          2HD1      LEU  58   3.970   5.738  -0.218
  440   3HD1  LEU  58          3HD1      LEU  58   2.837   4.507   0.343
  441   1HD2  LEU  58          1HD2      LEU  58   5.073   6.433   2.580
  442   2HD2  LEU  58          2HD2      LEU  58   3.887   7.666   3.008
  443   3HD2  LEU  58          3HD2      LEU  58   4.603   7.655   1.396
  444    H    LEU  59           H        LEU  59   0.107   3.673   0.851
  445    HA   LEU  59           HA       LEU  59  -1.022   3.626   3.525
  446   1HB   LEU  59          2HB       LEU  59  -0.586   1.410   1.515
  447   2HB   LEU  59          1HB       LEU  59  -1.408   1.211   3.052
  448    HG   LEU  59           HG       LEU  59  -2.333   2.936   0.749
  449   1HD1  LEU  59          1HD1      LEU  59  -3.432   0.360   1.880
  450   2HD1  LEU  59          2HD1      LEU  59  -2.621   0.560   0.326
  451   3HD1  LEU  59          3HD1      LEU  59  -4.181   1.330   0.610
  452   1HD2  LEU  59          1HD2      LEU  59  -3.637   2.432   3.428
  453   2HD2  LEU  59          2HD2      LEU  59  -4.350   3.319   2.079
  454   3HD2  LEU  59          3HD2      LEU  59  -2.919   3.951   2.890
  455    H    ALA  60           H        ALA  60  -0.239   2.488   5.288
  456    HA   ALA  60           HA       ALA  60   2.368   1.143   5.086
  457   1HB   ALA  60          1HB       ALA  60   1.738   3.249   7.166
  458   2HB   ALA  60          2HB       ALA  60   2.838   3.452   5.803
  459   3HB   ALA  60          3HB       ALA  60   3.215   2.286   7.071
  460    H    VAL  61           H        VAL  61   2.417  -0.738   6.242
  461    HA   VAL  61           HA       VAL  61   0.413  -1.159   8.372
  462    HB   VAL  61           HB       VAL  61   0.946  -3.124   6.124
  463   1HG1  VAL  61          1HG1      VAL  61  -0.846  -4.471   7.153
  464   2HG1  VAL  61          2HG1      VAL  61  -0.920  -3.330   8.496
  465   3HG1  VAL  61          3HG1      VAL  61   0.540  -4.282   8.226
  466   1HG2  VAL  61          1HG2      VAL  61  -0.441  -1.247   5.393
  467   2HG2  VAL  61          2HG2      VAL  61  -1.538  -1.515   6.748
  468   3HG2  VAL  61          3HG2      VAL  61  -1.388  -2.732   5.479
  469    H    GLU  62           H        GLU  62   1.086  -2.383  10.093
  470    HA   GLU  62           HA       GLU  62   3.842  -3.144  10.373
  471   1HB   GLU  62          2HB       GLU  62   1.382  -3.467  12.090
  472   2HB   GLU  62          1HB       GLU  62   2.901  -4.225  12.542
  473   1HG   GLU  62          2HG       GLU  62   2.778  -1.284  11.968
  474   2HG   GLU  62          1HG       GLU  62   2.294  -1.923  13.538
  475    H    ALA  63           H        ALA  63   4.758  -4.989   9.705
  476    HA   ALA  63           HA       ALA  63   3.185  -7.042   8.460
  477   1HB   ALA  63          1HB       ALA  63   6.159  -6.895   8.922
  478   2HB   ALA  63          2HB       ALA  63   5.294  -6.291   7.508
  479   3HB   ALA  63          3HB       ALA  63   5.331  -8.022   7.844
  480    H    GLU  64           H        GLU  64   4.927  -6.820  11.530
  481    HA   GLU  64           HA       GLU  64   5.352  -9.539  12.001
  482   1HB   GLU  64          2HB       GLU  64   4.973  -7.291  13.978
  483   2HB   GLU  64          1HB       GLU  64   5.423  -8.918  14.454
  484   1HG   GLU  64          2HG       GLU  64   7.413  -7.671  14.394
  485   2HG   GLU  64          1HG       GLU  64   7.433  -8.694  12.960
  486    HA   PRO  65           HA       PRO  65   1.423  -9.846  14.707
  487   1HB   PRO  65          2HB       PRO  65  -0.508  -7.975  14.648
  488   2HB   PRO  65          1HB       PRO  65   0.964  -7.767  15.605
  489   1HG   PRO  65          2HG       PRO  65   0.298  -6.660  12.894
  490   2HG   PRO  65          1HG       PRO  65   1.012  -5.832  14.291
  491   1HD   PRO  65          2HD       PRO  65   2.497  -6.775  12.207
  492   2HD   PRO  65          1HD       PRO  65   3.122  -6.664  13.866
  493    H    LEU  66           H        LEU  66   1.367  -9.363  11.389
  494    HA   LEU  66           HA       LEU  66  -1.346  -9.876  10.759
  495   1HB   LEU  66          2HB       LEU  66   1.134 -10.480   9.137
  496   2HB   LEU  66          1HB       LEU  66  -0.508 -10.501   8.517
  497    HG   LEU  66           HG       LEU  66   0.977  -8.075   9.553
  498   1HD1  LEU  66          1HD1      LEU  66   0.883  -7.298   7.245
  499   2HD1  LEU  66          2HD1      LEU  66   0.078  -8.790   6.758
  500   3HD1  LEU  66          3HD1      LEU  66   1.739  -8.837   7.350
  501   1HD2  LEU  66          1HD2      LEU  66  -0.980  -6.793   8.824
  502   2HD2  LEU  66          2HD2      LEU  66  -1.401  -7.937  10.097
  503   3HD2  LEU  66          3HD2      LEU  66  -1.818  -8.293   8.420
  504    H    GLY  67           H        GLY  67   1.439 -12.092  11.016
  505   1HA   GLY  67          2HA       GLY  67   0.961 -14.313  12.027
  506   2HA   GLY  67          1HA       GLY  67  -0.467 -14.363  11.010
  507    H    GLU  68           H        GLU  68   2.836 -13.403  10.231
  508    HA   GLU  68           HA       GLU  68   4.243 -13.936   8.549
  509   1HB   GLU  68          2HB       GLU  68   3.194 -16.717   9.098
  510   2HB   GLU  68          1HB       GLU  68   4.647 -16.347   8.186
  511   1HG   GLU  68          2HG       GLU  68   5.419 -16.947  10.307
  512   2HG   GLU  68          1HG       GLU  68   5.486 -15.186  10.299
  513    H    ASP  69           H        ASP  69   1.289 -13.452   7.866
  514    HA   ASP  69           HA       ASP  69   0.754 -14.869   5.456
  515   1HB   ASP  69          2HB       ASP  69  -0.309 -12.247   6.529
  516   2HB   ASP  69          1HB       ASP  69  -0.911 -13.018   5.065
  517    H    LEU  70           H        LEU  70   2.905 -12.329   6.172
  518    HA   LEU  70           HA       LEU  70   2.965 -11.260   3.460
  519   1HB   LEU  70          2HB       LEU  70   3.184  -9.756   5.420
  520   2HB   LEU  70          1HB       LEU  70   4.671 -10.576   5.862
  521    HG   LEU  70           HG       LEU  70   5.626  -9.858   3.641
  522   1HD1  LEU  70          1HD1      LEU  70   4.523  -7.993   2.486
  523   2HD1  LEU  70          2HD1      LEU  70   3.136  -8.152   3.563
  524   3HD1  LEU  70          3HD1      LEU  70   3.545  -9.459   2.452
  525   1HD2  LEU  70          1HD2      LEU  70   6.180  -8.699   5.717
  526   2HD2  LEU  70          2HD2      LEU  70   4.762  -7.666   5.530
  527   3HD2  LEU  70          3HD2      LEU  70   6.084  -7.569   4.367
  528    H    LYS  71           H        LYS  71   4.065 -12.380   1.967
  529    HA   LYS  71           HA       LYS  71   6.319 -14.068   2.782
  530   1HB   LYS  71          2HB       LYS  71   4.266 -14.639   1.158
  531   2HB   LYS  71          1HB       LYS  71   5.355 -13.980  -0.048
  532   1HG   LYS  71          2HG       LYS  71   5.892 -16.326   1.775
  533   2HG   LYS  71          1HG       LYS  71   5.532 -16.392   0.051
  534   1HD   LYS  71          2HD       LYS  71   7.615 -15.142  -0.406
  535   2HD   LYS  71          1HD       LYS  71   7.981 -15.150   1.321
  536   1HE   LYS  71          2HE       LYS  71   9.220 -16.919   0.241
  537   2HE   LYS  71          1HE       LYS  71   7.978 -17.632   1.269
  538   1HZ   LYS  71          1HZ       LYS  71   8.004 -18.778  -0.807
  539   2HZ   LYS  71          2HZ       LYS  71   7.907 -17.339  -1.684
  540   3HZ   LYS  71          3HZ       LYS  71   6.587 -17.853  -0.764
  541    H    TRP  72           H        TRP  72   8.159 -12.831   2.944
  542    HA   TRP  72           HA       TRP  72   8.857 -10.776   1.092
  543   1HB   TRP  72          2HB       TRP  72  10.384 -12.283   3.202
  544   2HB   TRP  72          1HB       TRP  72  11.233 -11.221   2.082
  545    HD1  TRP  72           HD1      TRP  72   8.551 -11.073   4.859
  546    HE1  TRP  72           HE1      TRP  72   8.508  -8.675   5.792
  547    HE3  TRP  72           HE3      TRP  72  11.794  -8.863   1.581
  548    HZ2  TRP  72           HZ2      TRP  72   9.686  -6.176   5.214
  549    HZ3  TRP  72           HZ3      TRP  72  12.282  -6.463   1.836
  550    HH2  TRP  72           HH2      TRP  72  11.247  -5.148   3.618
  551    H    GLU  73           H        GLU  73   8.861 -11.391  -0.988
  552    HA   GLU  73           HA       GLU  73  10.388 -13.803  -1.744
  553   1HB   GLU  73          2HB       GLU  73   7.931 -14.145  -1.835
  554   2HB   GLU  73          1HB       GLU  73   7.800 -12.809  -2.971
  555   1HG   GLU  73          2HG       GLU  73   7.708 -15.003  -4.072
  556   2HG   GLU  73          1HG       GLU  73   9.072 -14.027  -4.620
  557    H    ALA  74           H        ALA  74  11.698 -13.689  -3.490
  558    HA   ALA  74           HA       ALA  74  12.290 -11.060  -4.563
  559   1HB   ALA  74          1HB       ALA  74  14.208 -12.122  -5.608
  560   2HB   ALA  74          2HB       ALA  74  13.593 -13.717  -5.169
  561   3HB   ALA  74          3HB       ALA  74  14.106 -12.592  -3.911
  562    H    SER  75           H        SER  75  12.896 -11.102  -7.027
  563    HA   SER  75           HA       SER  75  11.389 -12.756  -8.778
  564   1HB   SER  75          2HB       SER  75   9.543 -11.305  -7.868
  565   2HB   SER  75          1HB       SER  75  10.376  -9.900  -8.533
  566    HG   SER  75           HG       SER  75   8.822 -11.783  -9.781
  567    H    ARG  76           H        ARG  76  11.222 -11.238 -11.029
  568    HA   ARG  76           HA       ARG  76  13.824 -11.159 -11.996
  569   1HB   ARG  76          2HB       ARG  76  11.385  -9.688 -13.023
  570   2HB   ARG  76          1HB       ARG  76  12.876  -9.923 -13.932
  571   1HG   ARG  76          2HG       ARG  76  12.564 -12.309 -13.936
  572   2HG   ARG  76          1HG       ARG  76  11.164 -12.170 -12.874
  573   1HD   ARG  76          2HD       ARG  76  10.491 -12.545 -15.189
  574   2HD   ARG  76          1HD       ARG  76   9.948 -10.969 -14.617
  575    HE   ARG  76           HE       ARG  76  11.775  -9.985 -15.902
  576   1HH1  ARG  76          1HH1      ARG  76  10.862 -13.224 -16.680
  577   2HH1  ARG  76          2HH1      ARG  76  11.554 -13.146 -18.262
  578   1HH2  ARG  76          1HH2      ARG  76  12.601  -9.889 -17.940
  579   2HH2  ARG  76          2HH2      ARG  76  12.517 -11.274 -18.974
  580    H    GLY  77           H        GLY  77  15.336  -9.994 -10.972
  581   1HA   GLY  77          2HA       GLY  77  16.117  -7.503 -11.174
  582   2HA   GLY  77          1HA       GLY  77  14.756  -7.245 -10.092
  583    H    GLY  78           H        GLY  78  15.461 -10.036  -8.939
  584   1HA   GLY  78          2HA       GLY  78  16.983 -11.011  -7.473
  585   2HA   GLY  78          1HA       GLY  78  18.065  -9.653  -7.720
  586    H    ALA  79           H        ALA  79  15.213  -8.245  -6.971
  587    HA   ALA  79           HA       ALA  79  16.029  -7.873  -4.184
  588   1HB   ALA  79          1HB       ALA  79  14.035  -6.315  -5.827
  589   2HB   ALA  79          2HB       ALA  79  15.727  -5.883  -5.586
  590   3HB   ALA  79          3HB       ALA  79  14.617  -5.893  -4.215
  591    H    ARG  80           H        ARG  80  14.938  -8.723  -2.510
  592    HA   ARG  80           HA       ARG  80  12.479 -10.179  -2.921
  593   1HB   ARG  80          2HB       ARG  80  14.200  -9.657  -0.503
  594   2HB   ARG  80          1HB       ARG  80  12.626 -10.425  -0.356
  595   1HG   ARG  80          2HG       ARG  80  13.374 -12.205  -1.885
  596   2HG   ARG  80          1HG       ARG  80  14.971 -11.452  -1.951
  597   1HD   ARG  80          2HD       ARG  80  15.303 -11.812   0.399
  598   2HD   ARG  80          1HD       ARG  80  13.639 -12.357   0.601
  599    HE   ARG  80           HE       ARG  80  15.145 -13.966  -1.241
  600   1HH1  ARG  80          1HH1      ARG  80  14.402 -13.429   2.085
  601   2HH1  ARG  80          2HH1      ARG  80  14.744 -15.064   2.538
  602   1HH2  ARG  80          1HH2      ARG  80  15.606 -16.068  -0.633
  603   2HH2  ARG  80          2HH2      ARG  80  15.433 -16.527   1.027
  604    H    PHE  81           H        PHE  81  10.656  -9.068  -3.192
  605    HA   PHE  81           HA       PHE  81  10.128  -6.695  -1.550
  606   1HB   PHE  81          2HB       PHE  81   8.712  -7.828  -3.976
  607   2HB   PHE  81          1HB       PHE  81   8.107  -6.454  -3.056
  608    HD1  PHE  81           HD2      PHE  81   9.219  -4.300  -3.146
  609    HD2  PHE  81           HD1      PHE  81  10.676  -7.616  -5.394
  610    HE1  PHE  81           HE2      PHE  81  10.605  -2.777  -4.492
  611    HE2  PHE  81           HE1      PHE  81  12.066  -6.095  -6.736
  612    HZ   PHE  81           HZ       PHE  81  12.029  -3.673  -6.286
  613    HA   PRO  82           HA       PRO  82   7.477  -9.013   1.201
  614   1HB   PRO  82          2HB       PRO  82   5.912  -6.915   2.059
  615   2HB   PRO  82          1HB       PRO  82   7.520  -7.280   2.691
  616   1HG   PRO  82          2HG       PRO  82   6.702  -5.251   0.650
  617   2HG   PRO  82          1HG       PRO  82   7.888  -5.113   1.963
  618   1HD   PRO  82          2HD       PRO  82   8.624  -5.526  -0.608
  619   2HD   PRO  82          1HD       PRO  82   9.538  -6.200   0.757
  620    H    HIS  83           H        HIS  83   6.299 -10.305  -0.199
  621    HA   HIS  83           HA       HIS  83   4.128  -9.150  -1.768
  622   1HB   HIS  83          2HB       HIS  83   5.460 -11.850  -1.714
  623   2HB   HIS  83          1HB       HIS  83   3.940 -11.609  -2.566
  624    HD1  HIS  83           HD1      HIS  83   7.584 -10.692  -2.715
  625    HD2  HIS  83           HD2      HIS  83   4.122 -10.137  -4.948
  626    HE1  HIS  83           HE1      HIS  83   8.351  -9.826  -4.940
  627    HE2  HIS  83           HE2      HIS  83   6.255  -9.628  -6.320
  628    H    LEU  84           H        LEU  84   2.363  -8.737  -0.553
  629    HA   LEU  84           HA       LEU  84   1.313 -10.801   1.242
  630   1HB   LEU  84          2HB       LEU  84   1.405  -8.453   2.024
  631   2HB   LEU  84          1HB       LEU  84   0.335  -7.986   0.718
  632    HG   LEU  84           HG       LEU  84  -1.436  -9.447   1.696
  633   1HD1  LEU  84          1HD1      LEU  84  -1.154 -10.229   4.017
  634   2HD1  LEU  84          2HD1      LEU  84   0.543  -9.751   3.957
  635   3HD1  LEU  84          3HD1      LEU  84  -0.054 -11.029   2.896
  636   1HD2  LEU  84          1HD2      LEU  84  -0.348  -7.333   3.564
  637   2HD2  LEU  84          2HD2      LEU  84  -2.001  -7.950   3.539
  638   3HD2  LEU  84          3HD2      LEU  84  -1.378  -7.041   2.162
  639    H    TYR  85           H        TYR  85  -0.172 -12.196   0.541
  640    HA   TYR  85           HA       TYR  85  -1.706 -11.589  -1.906
  641   1HB   TYR  85          2HB       TYR  85  -2.109 -14.167  -1.785
  642   2HB   TYR  85          1HB       TYR  85  -0.541 -13.567  -2.310
  643    HD1  TYR  85           HD1      TYR  85   1.404 -13.678  -0.798
  644    HD2  TYR  85           HD2      TYR  85  -2.327 -15.422   0.292
  645    HE1  TYR  85           HE1      TYR  85   2.529 -14.966   0.946
  646    HE2  TYR  85           HE2      TYR  85  -1.200 -16.724   2.052
  647    HH   TYR  85           HH       TYR  85   1.928 -16.064   3.113
  648    H    ARG  86           H        ARG  86  -2.282 -10.892   1.025
  649    HA   ARG  86           HA       ARG  86  -4.907 -12.213   1.331
  650   1HB   ARG  86          2HB       ARG  86  -3.231 -10.870   3.469
  651   2HB   ARG  86          1HB       ARG  86  -4.717 -11.777   3.719
  652   1HG   ARG  86          2HG       ARG  86  -2.240 -13.025   2.546
  653   2HG   ARG  86          1HG       ARG  86  -2.550 -12.964   4.281
  654   1HD   ARG  86          2HD       ARG  86  -4.520 -14.148   2.328
  655   2HD   ARG  86          1HD       ARG  86  -3.226 -15.096   3.060
  656    HE   ARG  86           HE       ARG  86  -4.270 -14.290   5.250
  657   1HH1  ARG  86          1HH1      ARG  86  -6.102 -14.911   2.389
  658   2HH1  ARG  86          2HH1      ARG  86  -7.514 -15.370   3.278
  659   1HH2  ARG  86          1HH2      ARG  86  -6.074 -14.894   6.356
  660   2HH2  ARG  86          2HH2      ARG  86  -7.495 -15.372   5.491
  661    HA   PRO  87           HA       PRO  87  -6.800  -8.275   0.297
  662   1HB   PRO  87          2HB       PRO  87  -8.940  -9.279   2.139
  663   2HB   PRO  87          1HB       PRO  87  -9.077  -8.640   0.494
  664   1HG   PRO  87          2HG       PRO  87  -9.263 -11.252   0.917
  665   2HG   PRO  87          1HG       PRO  87  -8.356 -10.638  -0.480
  666   1HD   PRO  87          2HD       PRO  87  -7.328 -11.717   2.122
  667   2HD   PRO  87          1HD       PRO  87  -6.697 -11.947   0.477
  668    H    LEU  88           H        LEU  88  -6.077  -6.445   1.212
  669    HA   LEU  88           HA       LEU  88  -5.429  -6.306   3.998
  670   1HB   LEU  88          2HB       LEU  88  -4.064  -5.237   2.247
  671   2HB   LEU  88          1HB       LEU  88  -5.389  -4.149   1.881
  672    HG   LEU  88           HG       LEU  88  -5.203  -3.176   4.152
  673   1HD1  LEU  88          1HD1      LEU  88  -4.305  -5.101   5.335
  674   2HD1  LEU  88          2HD1      LEU  88  -3.245  -3.707   5.538
  675   3HD1  LEU  88          3HD1      LEU  88  -2.803  -4.992   4.413
  676   1HD2  LEU  88          1HD2      LEU  88  -2.647  -3.165   2.535
  677   2HD2  LEU  88          2HD2      LEU  88  -3.067  -1.993   3.784
  678   3HD2  LEU  88          3HD2      LEU  88  -4.035  -2.098   2.314
  679    H    LEU  89           H        LEU  89  -7.292  -6.414   5.228
  680    HA   LEU  89           HA       LEU  89  -9.642  -4.938   4.859
  681   1HB   LEU  89          2HB       LEU  89  -8.437  -5.825   7.488
  682   2HB   LEU  89          1HB       LEU  89 -10.115  -5.392   7.215
  683    HG   LEU  89           HG       LEU  89  -8.678  -7.793   6.064
  684   1HD1  LEU  89          1HD1      LEU  89 -10.228  -9.078   7.459
  685   2HD1  LEU  89          2HD1      LEU  89 -10.860  -7.575   8.133
  686   3HD1  LEU  89          3HD1      LEU  89  -9.181  -8.035   8.420
  687   1HD2  LEU  89          1HD2      LEU  89 -10.872  -8.445   5.169
  688   2HD2  LEU  89          2HD2      LEU  89 -10.291  -6.940   4.458
  689   3HD2  LEU  89          3HD2      LEU  89 -11.543  -6.903   5.700
  690    H    VAL  90           H        VAL  90 -10.075  -2.820   5.045
  691    HA   VAL  90           HA       VAL  90  -8.051  -0.927   5.531
  692    HB   VAL  90           HB       VAL  90 -11.047  -0.514   5.487
  693   1HG1  VAL  90          1HG1      VAL  90 -10.526   1.833   4.947
  694   2HG1  VAL  90          2HG1      VAL  90  -8.812   1.503   5.198
  695   3HG1  VAL  90          3HG1      VAL  90  -9.936   1.381   6.549
  696   1HG2  VAL  90          1HG2      VAL  90  -8.974  -0.279   3.300
  697   2HG2  VAL  90          2HG2      VAL  90 -10.677   0.142   3.144
  698   3HG2  VAL  90          3HG2      VAL  90 -10.211  -1.530   3.439
  699    H    SER  91           H        SER  91 -10.548  -2.228   7.661
  700    HA   SER  91           HA       SER  91 -10.079  -0.411   9.821
  701   1HB   SER  91          2HB       SER  91 -11.348  -3.165   9.854
  702   2HB   SER  91          1HB       SER  91 -11.426  -1.989  11.164
  703    HG   SER  91           HG       SER  91 -13.293  -1.781   9.978
  704    H    GLU  92           H        GLU  92  -8.026  -2.645   8.570
  705    HA   GLU  92           HA       GLU  92  -6.762  -3.236  11.177
  706   1HB   GLU  92          2HB       GLU  92  -7.654  -5.215   9.917
  707   2HB   GLU  92          1HB       GLU  92  -6.535  -4.843   8.616
  708   1HG   GLU  92          2HG       GLU  92  -5.676  -6.636   9.987
  709   2HG   GLU  92          1HG       GLU  92  -4.647  -5.211  10.137
  710    H    VAL  93           H        VAL  93  -6.476  -1.269   8.548
  711    HA   VAL  93           HA       VAL  93  -3.679  -1.528   7.935
  712    HB   VAL  93           HB       VAL  93  -5.581   0.760   7.349
  713   1HG1  VAL  93          1HG1      VAL  93  -2.860   0.163   6.167
  714   2HG1  VAL  93          2HG1      VAL  93  -3.245   1.495   7.258
  715   3HG1  VAL  93          3HG1      VAL  93  -3.952   1.444   5.643
  716   1HG2  VAL  93          1HG2      VAL  93  -5.720  -0.210   5.098
  717   2HG2  VAL  93          2HG2      VAL  93  -6.303  -1.334   6.326
  718   3HG2  VAL  93          3HG2      VAL  93  -4.704  -1.554   5.615
  719    H    THR  94           H        THR  94  -1.939  -0.380   8.725
  720    HA   THR  94           HA       THR  94  -2.137   0.786  11.310
  721    HB   THR  94           HB       THR  94   0.210   0.941   9.398
  722    HG1  THR  94           HG1      THR  94  -0.644  -1.052  11.230
  723   1HG2  THR  94          1HG2      THR  94   0.367   2.529  11.270
  724   2HG2  THR  94          2HG2      THR  94   1.562   1.241  11.415
  725   3HG2  THR  94          3HG2      THR  94   0.106   1.206  12.409
  726    H    ARG  95           H        ARG  95  -1.143   2.305   8.193
  727    HA   ARG  95           HA       ARG  95  -2.416   4.799   9.035
  728   1HB   ARG  95          2HB       ARG  95   0.546   4.503   8.596
  729   2HB   ARG  95          1HB       ARG  95  -0.253   6.054   8.367
  730   1HG   ARG  95          2HG       ARG  95  -0.668   4.580  10.935
  731   2HG   ARG  95          1HG       ARG  95   0.859   5.414  10.662
  732   1HD   ARG  95          2HD       ARG  95  -1.006   6.696  11.871
  733   2HD   ARG  95          1HD       ARG  95  -0.160   7.514  10.565
  734    HE   ARG  95           HE       ARG  95  -2.110   7.569   9.368
  735   1HH1  ARG  95          1HH1      ARG  95  -2.538   5.399  12.014
  736   2HH1  ARG  95          2HH1      ARG  95  -4.246   5.293  11.775
  737   1HH2  ARG  95          1HH2      ARG  95  -4.288   7.458   9.115
  738   2HH2  ARG  95          2HH2      ARG  95  -5.231   6.453  10.161
  739    H    GLU  96           H        GLU  96  -2.853   6.281   7.418
  740    HA   GLU  96           HA       GLU  96  -2.203   5.538   4.636
  741   1HB   GLU  96          2HB       GLU  96  -4.479   6.409   3.991
  742   2HB   GLU  96          1HB       GLU  96  -4.509   4.915   4.918
  743   1HG   GLU  96          2HG       GLU  96  -5.153   6.092   6.914
  744   2HG   GLU  96          1HG       GLU  96  -4.937   7.648   6.119
  745    H    ALA  97           H        ALA  97  -0.647   7.089   4.268
  746    HA   ALA  97           HA       ALA  97  -1.083   9.804   5.307
  747   1HB   ALA  97          1HB       ALA  97   0.997   8.645   5.917
  748   2HB   ALA  97          2HB       ALA  97   1.303  10.128   5.013
  749   3HB   ALA  97          3HB       ALA  97   1.441   8.562   4.213
  750    H    ASP  98           H        ASP  98  -1.533  11.500   4.028
  751    HA   ASP  98           HA       ASP  98  -1.574  11.355   1.169
  752   1HB   ASP  98          2HB       ASP  98  -3.120  12.814   2.364
  753   2HB   ASP  98          1HB       ASP  98  -1.778  13.715   3.062
  754    H    LEU  99           H        LEU  99  -0.210  12.503  -0.318
  755    HA   LEU  99           HA       LEU  99   2.269  13.647   0.672
  756   1HB   LEU  99          2HB       LEU  99   3.741  12.152  -0.553
  757   2HB   LEU  99          1HB       LEU  99   2.803  11.267   0.631
  758    HG   LEU  99           HG       LEU  99   2.173  11.331  -2.332
  759   1HD1  LEU  99          1HD1      LEU  99   4.309  10.236  -1.953
  760   2HD1  LEU  99          2HD1      LEU  99   3.077   9.055  -2.393
  761   3HD1  LEU  99          3HD1      LEU  99   3.585   9.212  -0.711
  762   1HD2  LEU  99          1HD2      LEU  99   1.106   9.567  -0.119
  763   2HD2  LEU  99          2HD2      LEU  99   0.721   9.425  -1.835
  764   3HD2  LEU  99          3HD2      LEU  99   0.219  10.856  -0.938
  765    H    ASP 100           H        ASP 100   3.328  14.969  -0.764
  766    HA   ASP 100           HA       ASP 100   2.197  15.268  -3.473
  767   1HB   ASP 100          2HB       ASP 100   2.593  17.739  -3.229
  768   2HB   ASP 100          1HB       ASP 100   1.334  17.102  -2.176
  769    H    LEU 101           H        LEU 101   4.048  17.380  -4.219
  770    HA   LEU 101           HA       LEU 101   6.492  15.729  -4.449
  771   1HB   LEU 101          2HB       LEU 101   5.221  17.550  -6.492
  772   2HB   LEU 101          1HB       LEU 101   6.764  16.738  -6.702
  773    HG   LEU 101           HG       LEU 101   4.087  15.370  -6.371
  774   1HD1  LEU 101          1HD1      LEU 101   4.282  16.465  -8.530
  775   2HD1  LEU 101          2HD1      LEU 101   4.390  14.716  -8.716
  776   3HD1  LEU 101          3HD1      LEU 101   5.851  15.702  -8.801
  777   1HD2  LEU 101          1HD2      LEU 101   5.348  13.318  -6.936
  778   2HD2  LEU 101          2HD2      LEU 101   5.852  14.031  -5.404
  779   3HD2  LEU 101          3HD2      LEU 101   6.848  14.242  -6.844
  780    H    ASP 102           H        ASP 102   8.434  16.627  -4.038
  781    HA   ASP 102           HA       ASP 102   8.748  19.540  -4.111
  782   1HB   ASP 102          2HB       ASP 102   9.999  19.412  -1.908
  783   2HB   ASP 102          1HB       ASP 102   8.253  19.197  -1.805
  784    H    ALA 103           H        ALA 103  11.239  19.940  -3.373
  785    HA   ALA 103           HA       ALA 103  13.427  19.836  -3.944
  786   1HB   ALA 103          1HB       ALA 103  13.361  17.737  -2.680
  787   2HB   ALA 103          2HB       ALA 103  14.522  17.661  -4.005
  788   3HB   ALA 103          3HB       ALA 103  12.959  16.859  -4.158
  789    H    ASP 104           H        ASP 104  12.382  17.143  -6.011
  790    HA   ASP 104           HA       ASP 104  12.883  18.750  -8.423
  791   1HB   ASP 104          2HB       ASP 104  14.983  17.519  -7.810
  792   2HB   ASP 104          1HB       ASP 104  14.099  16.005  -7.942
  793    H    GLY 105           H        GLY 105  10.560  17.466  -6.945
  794   1HA   GLY 105          2HA       GLY 105   8.510  16.688  -7.878
  795   2HA   GLY 105          1HA       GLY 105   9.412  15.949  -9.195
  796    H    VAL 106           H        VAL 106  10.264  15.635  -5.804
  797    HA   VAL 106           HA       VAL 106   9.550  12.769  -5.906
  798    HB   VAL 106           HB       VAL 106  11.820  14.128  -4.427
  799   1HG1  VAL 106          1HG1      VAL 106  10.993  11.219  -4.385
  800   2HG1  VAL 106          2HG1      VAL 106  10.934  12.350  -3.032
  801   3HG1  VAL 106          3HG1      VAL 106  12.489  11.859  -3.703
  802   1HG2  VAL 106          1HG2      VAL 106  13.276  12.771  -5.855
  803   2HG2  VAL 106          2HG2      VAL 106  12.249  13.839  -6.811
  804   3HG2  VAL 106          3HG2      VAL 106  11.862  12.122  -6.685
  805    HA   PRO 107           HA       PRO 107   7.156  13.814  -2.207
  806   1HB   PRO 107          2HB       PRO 107   6.105  11.371  -1.757
  807   2HB   PRO 107          1HB       PRO 107   5.520  12.403  -3.068
  808   1HG   PRO 107          2HG       PRO 107   7.394  10.069  -3.185
  809   2HG   PRO 107          1HG       PRO 107   6.084  10.508  -4.296
  810   1HD   PRO 107          2HD       PRO 107   8.753  11.033  -4.752
  811   2HD   PRO 107          1HD       PRO 107   7.418  11.954  -5.475
  812    H    GLN 108           H        GLN 108   9.350  14.133  -1.184
  813    HA   GLN 108           HA       GLN 108  10.746  11.853  -0.192
  814   1HB   GLN 108          2HB       GLN 108  12.311  13.356   0.801
  815   2HB   GLN 108          1HB       GLN 108  11.882  13.960  -0.785
  816   1HG   GLN 108          2HG       GLN 108  10.286  15.539   0.400
  817   2HG   GLN 108          1HG       GLN 108  11.079  15.048   1.899
  818   1HE2  GLN 108          1HE2      GLN 108  12.495  15.574  -1.302
  819   2HE2  GLN 108          2HE2      GLN 108  13.552  16.842  -0.812
  820    H    LEU 109           H        LEU 109   9.247  10.718   0.918
  821    HA   LEU 109           HA       LEU 109   7.722  11.605   3.098
  822   1HB   LEU 109          2HB       LEU 109   7.574   9.056   3.565
  823   2HB   LEU 109          1HB       LEU 109   6.854   9.719   2.116
  824    HG   LEU 109           HG       LEU 109   8.786   8.955   0.794
  825   1HD1  LEU 109          1HD1      LEU 109  10.528   9.049   2.433
  826   2HD1  LEU 109          2HD1      LEU 109  10.403   7.394   1.832
  827   3HD1  LEU 109          3HD1      LEU 109   9.731   7.815   3.414
  828   1HD2  LEU 109          1HD2      LEU 109   8.325   6.544   0.928
  829   2HD2  LEU 109          2HD2      LEU 109   6.847   7.504   0.978
  830   3HD2  LEU 109          3HD2      LEU 109   7.490   6.799   2.461
  831    H    GLY 110           H        GLY 110  10.940  11.602   3.111
  832   1HA   GLY 110          2HA       GLY 110  11.905  10.238   5.289
  833   2HA   GLY 110          1HA       GLY 110  12.460  11.834   4.820
  834    H    ASP 111           H        ASP 111   9.754  13.015   5.359
  835    HA   ASP 111           HA       ASP 111  10.032  13.697   8.095
  836   1HB   ASP 111          2HB       ASP 111   7.413  13.865   6.597
  837   2HB   ASP 111          1HB       ASP 111   8.024  14.935   7.855
  838    H    HIS 112           H        HIS 112   8.145  11.273   6.435
  839    HA   HIS 112           HA       HIS 112   6.528  10.477   8.665
  840   1HB   HIS 112          2HB       HIS 112   7.060   9.197   5.973
  841   2HB   HIS 112          1HB       HIS 112   5.850   8.622   7.109
  842    HD1  HIS 112           HD1      HIS 112   3.779  10.249   7.518
  843    HD2  HIS 112           HD2      HIS 112   6.329  11.345   4.429
  844    HE1  HIS 112           HE1      HIS 112   2.525  11.972   6.194
  845    HE2  HIS 112           HE2      HIS 112   4.192  12.805   4.505
  846    H    LEU 113           H        LEU 113   9.685   9.621   7.535
  847    HA   LEU 113           HA       LEU 113   9.635   7.068   9.017
  848   1HB   LEU 113          2HB       LEU 113  11.748   7.955   7.059
  849   2HB   LEU 113          1HB       LEU 113  11.452   6.338   7.663
  850    HG   LEU 113           HG       LEU 113   9.788   7.891   5.680
  851   1HD1  LEU 113          1HD1      LEU 113  11.238   5.255   5.445
  852   2HD1  LEU 113          2HD1      LEU 113  11.775   6.796   4.775
  853   3HD1  LEU 113          3HD1      LEU 113  10.295   6.047   4.178
  854   1HD2  LEU 113          1HD2      LEU 113   9.134   5.263   7.012
  855   2HD2  LEU 113          2HD2      LEU 113   8.301   5.920   5.602
  856   3HD2  LEU 113          3HD2      LEU 113   8.233   6.774   7.141
  857    H    ALA 114           H        ALA 114  11.590   6.467  10.232
  858    HA   ALA 114           HA       ALA 114  12.703   8.754  11.672
  859   1HB   ALA 114          1HB       ALA 114  13.482   7.125  13.307
  860   2HB   ALA 114          2HB       ALA 114  12.974   5.802  12.258
  861   3HB   ALA 114          3HB       ALA 114  11.769   6.882  12.958
  862    H    LEU 115           H        LEU 115  14.372   5.686  11.023
  863    HA   LEU 115           HA       LEU 115  16.441   5.177  10.271
  864   1HB   LEU 115          2HB       LEU 115  15.790   7.479   8.441
  865   2HB   LEU 115          1HB       LEU 115  17.291   6.589   8.300
  866    HG   LEU 115           HG       LEU 115  15.733   5.758   6.665
  867   1HD1  LEU 115          1HD1      LEU 115  15.682   3.398   7.219
  868   2HD1  LEU 115          2HD1      LEU 115  15.958   3.768   8.921
  869   3HD1  LEU 115          3HD1      LEU 115  17.211   4.116   7.727
  870   1HD2  LEU 115          1HD2      LEU 115  13.841   5.203   8.952
  871   2HD2  LEU 115          2HD2      LEU 115  13.589   4.751   7.266
  872   3HD2  LEU 115          3HD2      LEU 115  13.646   6.453   7.722
  873    H    GLU 116           H        GLU 116  18.757   6.064   9.859
  874    HA   GLU 116           HA       GLU 116  19.440   8.559  11.086
  875   1HB   GLU 116          2HB       GLU 116  20.868   7.518  12.903
  876   2HB   GLU 116          1HB       GLU 116  19.131   7.483  13.165
  877   1HG   GLU 116          2HG       GLU 116  18.995   5.203  12.916
  878   2HG   GLU 116          1HG       GLU 116  20.435   5.115  11.904
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1   7.831  -2.343  13.875
    2   2H    MET   1          2H        MET   1   8.262  -3.207  15.260
    3   3H    MET   1          3H        MET   1   7.021  -3.775  14.266
    4    HA   MET   1           HA       MET   1   9.889  -3.557  13.552
    5   1HB   MET   1          2HB       MET   1   8.132  -5.981  14.032
    6   2HB   MET   1          1HB       MET   1   9.786  -6.043  13.441
    7   1HG   MET   1          2HG       MET   1  10.531  -4.966  15.545
    8   2HG   MET   1          1HG       MET   1   8.872  -5.056  16.134
    9   1HE   MET   1          1HE       MET   1   7.963  -7.881  14.894
   10   2HE   MET   1          2HE       MET   1   7.579  -7.395  16.546
   11   3HE   MET   1          3HE       MET   1   8.317  -8.966  16.238
   12    H    THR   2           H        THR   2  10.241  -3.260  11.454
   13    HA   THR   2           HA       THR   2  10.035  -3.136   9.204
   14    HB   THR   2           HB       THR   2   9.180  -5.103   7.987
   15    HG1  THR   2           HG1      THR   2   7.616  -5.475  10.006
   16   1HG2  THR   2          1HG2      THR   2  11.467  -5.124   8.878
   17   2HG2  THR   2          2HG2      THR   2  10.761  -6.739   8.894
   18   3HG2  THR   2          3HG2      THR   2  10.875  -5.813  10.390
   19    H    LEU   3           H        LEU   3   8.890  -1.919   7.848
   20    HA   LEU   3           HA       LEU   3   5.934  -1.946   8.021
   21   1HB   LEU   3          2HB       LEU   3   7.667   0.482   7.494
   22   2HB   LEU   3          1HB       LEU   3   5.915   0.457   7.589
   23    HG   LEU   3           HG       LEU   3   7.839  -0.044   9.866
   24   1HD1  LEU   3          1HD1      LEU   3   6.916   2.030  10.788
   25   2HD1  LEU   3          2HD1      LEU   3   5.941   2.241   9.333
   26   3HD1  LEU   3          3HD1      LEU   3   7.701   2.300   9.231
   27   1HD2  LEU   3          1HD2      LEU   3   5.828  -0.115  11.287
   28   2HD2  LEU   3          2HD2      LEU   3   5.878  -1.444  10.131
   29   3HD2  LEU   3          3HD2      LEU   3   4.819  -0.064   9.840
   30    H    ILE   4           H        ILE   4   4.777  -1.606   6.074
   31    HA   ILE   4           HA       ILE   4   6.392  -1.494   3.597
   32    HB   ILE   4           HB       ILE   4   4.689  -2.835   2.420
   33   1HG1  ILE   4          2HG1      ILE   4   2.868  -2.330   4.197
   34   2HG1  ILE   4          1HG1      ILE   4   2.887  -3.923   3.453
   35   1HG2  ILE   4          1HG2      ILE   4   6.707  -3.907   3.217
   36   2HG2  ILE   4          2HG2      ILE   4   5.345  -5.020   3.332
   37   3HG2  ILE   4          3HG2      ILE   4   5.956  -4.222   4.782
   38   1HD1  ILE   4          1HD1      ILE   4   3.985  -3.228   6.172
   39   2HD1  ILE   4          2HD1      ILE   4   4.001  -4.829   5.432
   40   3HD1  ILE   4          3HD1      ILE   4   2.467  -4.061   5.837
   41    H    TYR   5           H        TYR   5   5.426  -0.392   1.792
   42    HA   TYR   5           HA       TYR   5   3.301   1.507   2.571
   43   1HB   TYR   5          2HB       TYR   5   5.888   2.237   1.169
   44   2HB   TYR   5          1HB       TYR   5   4.576   3.345   1.553
   45    HD1  TYR   5           HD2      TYR   5   4.217   4.103   3.852
   46    HD2  TYR   5           HD1      TYR   5   7.405   1.443   2.901
   47    HE1  TYR   5           HE2      TYR   5   5.250   4.564   6.034
   48    HE2  TYR   5           HE1      TYR   5   8.440   1.899   5.083
   49    HH   TYR   5           HH       TYR   5   6.829   3.411   7.604
   50    H    LYS   6           H        LYS   6   1.858   2.080   1.007
   51    HA   LYS   6           HA       LYS   6   2.471   1.446  -1.808
   52   1HB   LYS   6          2HB       LYS   6   0.999  -0.334  -0.999
   53   2HB   LYS   6          1HB       LYS   6  -0.155   0.858  -0.413
   54   1HG   LYS   6          2HG       LYS   6  -0.494   1.628  -2.741
   55   2HG   LYS   6          1HG       LYS   6   0.595   0.356  -3.295
   56   1HD   LYS   6          2HD       LYS   6  -1.974  -0.108  -1.766
   57   2HD   LYS   6          1HD       LYS   6  -1.808  -0.233  -3.516
   58   1HE   LYS   6          2HE       LYS   6  -0.323  -1.906  -1.486
   59   2HE   LYS   6          1HE       LYS   6  -1.724  -2.428  -2.417
   60   1HZ   LYS   6          1HZ       LYS   6   0.897  -1.632  -3.564
   61   2HZ   LYS   6          2HZ       LYS   6  -0.452  -2.149  -4.446
   62   3HZ   LYS   6          3HZ       LYS   6   0.334  -3.216  -3.401
   63    H    ILE   7           H        ILE   7   2.138   3.133  -3.138
   64    HA   ILE   7           HA       ILE   7   0.686   5.475  -2.104
   65    HB   ILE   7           HB       ILE   7   2.609   5.301  -4.445
   66   1HG1  ILE   7          2HG1      ILE   7   4.027   6.799  -2.907
   67   2HG1  ILE   7          1HG1      ILE   7   2.967   6.282  -1.601
   68   1HG2  ILE   7          1HG2      ILE   7   0.952   7.044  -4.792
   69   2HG2  ILE   7          2HG2      ILE   7   2.524   7.760  -4.441
   70   3HG2  ILE   7          3HG2      ILE   7   1.280   7.709  -3.191
   71   1HD1  ILE   7          1HD1      ILE   7   5.012   4.993  -1.626
   72   2HD1  ILE   7          2HD1      ILE   7   4.712   4.501  -3.292
   73   3HD1  ILE   7          3HD1      ILE   7   3.636   3.958  -2.003
   74    H    LEU   8           H        LEU   8  -1.204   6.118  -2.975
   75    HA   LEU   8           HA       LEU   8  -1.878   5.550  -5.741
   76   1HB   LEU   8          2HB       LEU   8  -3.895   4.337  -5.344
   77   2HB   LEU   8          1HB       LEU   8  -2.605   3.502  -4.504
   78    HG   LEU   8           HG       LEU   8  -4.628   5.328  -3.179
   79   1HD1  LEU   8          1HD1      LEU   8  -5.684   3.301  -4.032
   80   2HD1  LEU   8          2HD1      LEU   8  -5.609   3.281  -2.271
   81   3HD1  LEU   8          3HD1      LEU   8  -4.474   2.312  -3.212
   82   1HD2  LEU   8          1HD2      LEU   8  -2.489   5.242  -1.983
   83   2HD2  LEU   8          2HD2      LEU   8  -2.570   3.479  -1.962
   84   3HD2  LEU   8          3HD2      LEU   8  -3.768   4.428  -1.082
   85    H    SER   9           H        SER   9  -4.042   6.583  -6.329
   86    HA   SER   9           HA       SER   9  -4.178   9.211  -5.127
   87   1HB   SER   9          2HB       SER   9  -5.730   9.778  -6.862
   88   2HB   SER   9          1HB       SER   9  -4.505   8.752  -7.606
   89    HG   SER   9           HG       SER   9  -5.926   7.093  -7.703
   90    H    ARG  10           H        ARG  10  -5.898  10.080  -3.897
   91    HA   ARG  10           HA       ARG  10  -7.149   8.274  -2.151
   92   1HB   ARG  10          2HB       ARG  10  -6.693  10.605  -1.516
   93   2HB   ARG  10          1HB       ARG  10  -7.936  11.155  -2.639
   94   1HG   ARG  10          2HG       ARG  10  -9.645   9.991  -1.377
   95   2HG   ARG  10          1HG       ARG  10  -8.428   9.311  -0.301
   96   1HD   ARG  10          2HD       ARG  10  -7.918  11.492   0.581
   97   2HD   ARG  10          1HD       ARG  10  -8.983  12.258  -0.596
   98    HE   ARG  10           HE       ARG  10 -10.481  10.393   0.851
   99   1HH1  ARG  10          1HH1      ARG  10  -8.876  13.390   1.409
  100   2HH1  ARG  10          2HH1      ARG  10  -9.952  13.856   2.676
  101   1HH2  ARG  10          1HH2      ARG  10 -11.864  11.006   2.462
  102   2HH2  ARG  10          2HH2      ARG  10 -11.640  12.530   3.252
  103    H    ALA  11           H        ALA  11  -8.257   9.534  -5.215
  104    HA   ALA  11           HA       ALA  11 -10.996   9.004  -5.029
  105   1HB   ALA  11          1HB       ALA  11 -10.979   8.819  -7.465
  106   2HB   ALA  11          2HB       ALA  11  -9.220   8.678  -7.451
  107   3HB   ALA  11          3HB       ALA  11  -9.990  10.176  -6.926
  108    H    GLU  12           H        GLU  12  -8.286   6.822  -5.540
  109    HA   GLU  12           HA       GLU  12 -10.029   4.507  -5.886
  110   1HB   GLU  12          2HB       GLU  12  -7.985   4.632  -7.210
  111   2HB   GLU  12          1HB       GLU  12  -7.013   4.763  -5.752
  112   1HG   GLU  12          2HG       GLU  12  -7.567   2.505  -5.119
  113   2HG   GLU  12          1HG       GLU  12  -8.688   2.361  -6.474
  114    H    TRP  13           H        TRP  13  -7.947   5.940  -3.439
  115    HA   TRP  13           HA       TRP  13  -7.966   3.861  -1.546
  116   1HB   TRP  13          2HB       TRP  13  -6.405   5.688  -1.347
  117   2HB   TRP  13          1HB       TRP  13  -7.711   6.856  -1.203
  118    HD1  TRP  13           HD1      TRP  13  -7.514   7.785   1.181
  119    HE1  TRP  13           HE1      TRP  13  -7.346   6.763   3.544
  120    HE3  TRP  13           HE3      TRP  13  -7.117   2.830  -0.077
  121    HZ2  TRP  13           HZ2      TRP  13  -7.097   4.211   4.713
  122    HZ3  TRP  13           HZ3      TRP  13  -6.926   1.169   1.725
  123    HH2  TRP  13           HH2      TRP  13  -6.916   1.845   4.070
  124    H    ASP  14           H        ASP  14 -10.058   6.774  -1.647
  125    HA   ASP  14           HA       ASP  14 -11.757   6.053   0.443
  126   1HB   ASP  14          2HB       ASP  14 -12.026   7.892  -1.905
  127   2HB   ASP  14          1HB       ASP  14 -13.442   7.559  -0.911
  128    H    ALA  15           H        ALA  15 -11.832   5.056  -2.948
  129    HA   ALA  15           HA       ALA  15 -14.322   3.776  -2.991
  130   1HB   ALA  15          1HB       ALA  15 -13.377   2.300  -4.719
  131   2HB   ALA  15          2HB       ALA  15 -11.758   2.882  -4.327
  132   3HB   ALA  15          3HB       ALA  15 -12.955   3.989  -5.001
  133    H    ALA  16           H        ALA  16 -11.148   2.481  -2.030
  134    HA   ALA  16           HA       ALA  16 -11.979  -0.058  -1.191
  135   1HB   ALA  16          1HB       ALA  16  -9.895  -0.149   0.062
  136   2HB   ALA  16          2HB       ALA  16  -9.714   1.600  -0.084
  137   3HB   ALA  16          3HB       ALA  16  -9.634   0.584  -1.522
  138    H    LYS  17           H        LYS  17 -11.602   2.935   0.741
  139    HA   LYS  17           HA       LYS  17 -12.430   1.827   3.196
  140   1HB   LYS  17          2HB       LYS  17 -12.520   4.688   2.222
  141   2HB   LYS  17          1HB       LYS  17 -12.881   4.207   3.876
  142   1HG   LYS  17          2HG       LYS  17 -10.580   3.180   3.965
  143   2HG   LYS  17          1HG       LYS  17 -10.254   3.966   2.419
  144   1HD   LYS  17          2HD       LYS  17 -11.083   5.391   4.958
  145   2HD   LYS  17          1HD       LYS  17  -9.427   5.268   4.364
  146   1HE   LYS  17          2HE       LYS  17 -10.104   6.459   2.310
  147   2HE   LYS  17          1HE       LYS  17 -11.736   6.620   2.959
  148   1HZ   LYS  17          1HZ       LYS  17 -10.835   7.915   4.793
  149   2HZ   LYS  17          2HZ       LYS  17 -10.450   8.627   3.310
  150   3HZ   LYS  17          3HZ       LYS  17  -9.273   7.764   4.166
  151    H    ALA  18           H        ALA  18 -14.302   3.149   0.526
  152    HA   ALA  18           HA       ALA  18 -16.823   3.070   1.891
  153   1HB   ALA  18          1HB       ALA  18 -17.808   3.370  -0.334
  154   2HB   ALA  18          2HB       ALA  18 -16.230   3.086  -1.072
  155   3HB   ALA  18          3HB       ALA  18 -16.487   4.503  -0.055
  156    H    GLN  19           H        GLN  19 -15.020   0.849  -0.156
  157    HA   GLN  19           HA       GLN  19 -17.011  -1.186  -0.346
  158   1HB   GLN  19          2HB       GLN  19 -14.014  -1.190  -0.762
  159   2HB   GLN  19          1HB       GLN  19 -15.018  -2.608  -1.045
  160   1HG   GLN  19          2HG       GLN  19 -16.125  -1.605  -2.846
  161   2HG   GLN  19          1HG       GLN  19 -15.577   0.008  -2.404
  162   1HE2  GLN  19          1HE2      GLN  19 -13.373  -2.699  -2.382
  163   2HE2  GLN  19          2HE2      GLN  19 -12.479  -2.228  -3.778
  164    H    GLY  20           H        GLY  20 -14.684  -0.334   2.073
  165   1HA   GLY  20          2HA       GLY  20 -14.511  -1.195   4.246
  166   2HA   GLY  20          1HA       GLY  20 -15.521  -2.554   3.771
  167    H    ARG  21           H        ARG  21 -13.552  -2.656   1.328
  168    HA   ARG  21           HA       ARG  21 -11.299  -3.971   2.676
  169   1HB   ARG  21          2HB       ARG  21 -13.147  -5.635   2.217
  170   2HB   ARG  21          1HB       ARG  21 -12.899  -5.336   0.501
  171   1HG   ARG  21          2HG       ARG  21 -10.637  -6.176   0.639
  172   2HG   ARG  21          1HG       ARG  21 -10.782  -6.367   2.387
  173   1HD   ARG  21          2HD       ARG  21 -12.762  -7.914   1.851
  174   2HD   ARG  21          1HD       ARG  21 -12.137  -7.925   0.203
  175    HE   ARG  21           HE       ARG  21  -9.983  -8.574   1.751
  176   1HH1  ARG  21          1HH1      ARG  21 -13.157  -9.843   1.381
  177   2HH1  ARG  21          2HH1      ARG  21 -12.676 -11.462   1.754
  178   1HH2  ARG  21          1HH2      ARG  21  -9.384 -10.663   2.297
  179   2HH2  ARG  21          2HH2      ARG  21 -10.583 -11.909   2.307
  180    H    PHE  22           H        PHE  22  -9.419  -4.099   1.468
  181    HA   PHE  22           HA       PHE  22  -9.392  -2.670  -1.112
  182   1HB   PHE  22          2HB       PHE  22  -8.256  -1.445   0.710
  183   2HB   PHE  22          1HB       PHE  22  -7.205  -2.827   0.984
  184    HD1  PHE  22           HD2      PHE  22  -8.251  -0.599  -1.834
  185    HD2  PHE  22           HD1      PHE  22  -5.079  -2.725   0.064
  186    HE1  PHE  22           HE2      PHE  22  -6.656   0.327  -3.464
  187    HE2  PHE  22           HE1      PHE  22  -3.487  -1.799  -1.563
  188    HZ   PHE  22           HZ       PHE  22  -4.273  -0.275  -3.328
  189    H    GLU  23           H        GLU  23  -9.709  -4.643  -2.294
  190    HA   GLU  23           HA       GLU  23  -7.991  -6.882  -2.105
  191   1HB   GLU  23          2HB       GLU  23  -9.521  -5.906  -4.531
  192   2HB   GLU  23          1HB       GLU  23  -8.810  -7.502  -4.345
  193   1HG   GLU  23          2HG       GLU  23 -11.000  -7.931  -3.830
  194   2HG   GLU  23          1HG       GLU  23 -10.332  -7.637  -2.227
  195    H    GLY  24           H        GLY  24  -7.433  -3.760  -3.322
  196   1HA   GLY  24          2HA       GLY  24  -4.905  -3.472  -3.581
  197   2HA   GLY  24          1HA       GLY  24  -5.082  -4.658  -4.865
  198    H    SER  25           H        SER  25  -3.936  -2.400  -5.621
  199    HA   SER  25           HA       SER  25  -5.784  -0.437  -6.628
  200   1HB   SER  25          2HB       SER  25  -3.866   0.486  -7.803
  201   2HB   SER  25          1HB       SER  25  -3.353   0.028  -6.179
  202    HG   SER  25           HG       SER  25  -2.014  -1.350  -7.017
  203    H    ALA  26           H        ALA  26  -5.486   0.013  -9.190
  204    HA   ALA  26           HA       ALA  26  -6.693  -1.996 -10.687
  205   1HB   ALA  26          1HB       ALA  26  -5.993  -0.771 -12.672
  206   2HB   ALA  26          2HB       ALA  26  -4.799   0.120 -11.727
  207   3HB   ALA  26          3HB       ALA  26  -6.519   0.353 -11.418
  208    H    VAL  27           H        VAL  27  -3.295  -1.430 -10.014
  209    HA   VAL  27           HA       VAL  27  -2.316  -3.456 -11.812
  210    HB   VAL  27           HB       VAL  27  -0.871  -2.053  -9.547
  211   1HG1  VAL  27          1HG1      VAL  27   1.183  -2.712 -10.719
  212   2HG1  VAL  27          2HG1      VAL  27   0.226  -3.589 -11.913
  213   3HG1  VAL  27          3HG1      VAL  27   0.243  -4.124 -10.232
  214   1HG2  VAL  27          1HG2      VAL  27  -0.985  -1.371 -12.493
  215   2HG2  VAL  27          2HG2      VAL  27   0.039  -0.578 -11.295
  216   3HG2  VAL  27          3HG2      VAL  27  -1.716  -0.447 -11.180
  217    H    ASP  28           H        ASP  28  -2.509  -3.207  -8.235
  218    HA   ASP  28           HA       ASP  28  -1.550  -5.772  -7.653
  219   1HB   ASP  28          2HB       ASP  28  -3.598  -4.182  -6.089
  220   2HB   ASP  28          1HB       ASP  28  -2.667  -5.541  -5.474
  221    H    LEU  29           H        LEU  29  -4.872  -4.680  -8.283
  222    HA   LEU  29           HA       LEU  29  -6.104  -7.201  -7.827
  223   1HB   LEU  29          2HB       LEU  29  -7.309  -5.043  -7.731
  224   2HB   LEU  29          1HB       LEU  29  -7.097  -4.860  -9.461
  225    HG   LEU  29           HG       LEU  29  -8.485  -6.878  -9.835
  226   1HD1  LEU  29          1HD1      LEU  29  -9.780  -7.820  -7.975
  227   2HD1  LEU  29          2HD1      LEU  29  -8.885  -6.806  -6.842
  228   3HD1  LEU  29          3HD1      LEU  29  -8.047  -8.060  -7.758
  229   1HD2  LEU  29          1HD2      LEU  29  -9.805  -4.748  -8.143
  230   2HD2  LEU  29          2HD2      LEU  29 -10.634  -5.867  -9.226
  231   3HD2  LEU  29          3HD2      LEU  29  -9.521  -4.669  -9.883
  232    H    ALA  30           H        ALA  30  -4.789  -5.624 -10.728
  233    HA   ALA  30           HA       ALA  30  -5.653  -7.446 -12.676
  234   1HB   ALA  30          1HB       ALA  30  -3.733  -6.697 -14.005
  235   2HB   ALA  30          2HB       ALA  30  -3.027  -5.951 -12.570
  236   3HB   ALA  30          3HB       ALA  30  -4.542  -5.335 -13.227
  237    H    ASP  31           H        ASP  31  -2.577  -7.464 -10.849
  238    HA   ASP  31           HA       ASP  31  -1.785 -10.072 -11.639
  239   1HB   ASP  31          2HB       ASP  31  -1.017  -8.365  -9.259
  240   2HB   ASP  31          1HB       ASP  31  -0.254  -9.908  -9.632
  241    H    GLY  32           H        GLY  32  -3.781  -8.873  -9.009
  242   1HA   GLY  32          2HA       GLY  32  -5.385 -10.166  -7.831
  243   2HA   GLY  32          1HA       GLY  32  -4.496 -11.623  -8.254
  244    H    PHE  33           H        PHE  33  -1.929 -10.764  -7.458
  245    HA   PHE  33           HA       PHE  33  -2.217 -10.962  -4.543
  246   1HB   PHE  33          2HB       PHE  33   0.246 -11.420  -6.252
  247   2HB   PHE  33          1HB       PHE  33   0.066 -11.808  -4.543
  248    HD1  PHE  33           HD1      PHE  33  -1.478 -13.644  -3.849
  249    HD2  PHE  33           HD2      PHE  33  -0.550 -12.897  -7.944
  250    HE1  PHE  33           HE1      PHE  33  -2.319 -15.876  -4.447
  251    HE2  PHE  33           HE2      PHE  33  -1.387 -15.132  -8.540
  252    HZ   PHE  33           HZ       PHE  33  -2.274 -16.624  -6.792
  253    H    ILE  34           H        ILE  34  -1.882  -9.212  -3.322
  254    HA   ILE  34           HA       ILE  34  -1.327  -6.696  -4.484
  255    HB   ILE  34           HB       ILE  34  -1.405  -7.454  -1.556
  256   1HG1  ILE  34          2HG1      ILE  34  -3.569  -6.340  -3.366
  257   2HG1  ILE  34          1HG1      ILE  34  -3.486  -7.996  -2.776
  258   1HG2  ILE  34          1HG2      ILE  34  -1.610  -4.745  -2.878
  259   2HG2  ILE  34          2HG2      ILE  34  -0.280  -5.322  -1.872
  260   3HG2  ILE  34          3HG2      ILE  34  -1.874  -5.066  -1.164
  261   1HD1  ILE  34          1HD1      ILE  34  -5.096  -6.703  -1.512
  262   2HD1  ILE  34          2HD1      ILE  34  -3.853  -5.526  -1.091
  263   3HD1  ILE  34          3HD1      ILE  34  -3.747  -7.177  -0.479
  264    H    HIS  35           H        HIS  35   0.534  -5.780  -4.970
  265    HA   HIS  35           HA       HIS  35   3.066  -6.721  -3.900
  266   1HB   HIS  35          2HB       HIS  35   2.476  -4.418  -5.789
  267   2HB   HIS  35          1HB       HIS  35   4.074  -5.052  -5.415
  268    HD1  HIS  35           HD1      HIS  35   4.915  -6.893  -6.881
  269    HD2  HIS  35           HD2      HIS  35   0.817  -6.315  -7.269
  270    HE1  HIS  35           HE1      HIS  35   4.210  -8.345  -8.797
  271    HE2  HIS  35           HE2      HIS  35   1.767  -7.855  -9.116
  272    H    LEU  36           H        LEU  36   4.042  -5.879  -2.129
  273    HA   LEU  36           HA       LEU  36   3.128  -3.248  -1.159
  274   1HB   LEU  36          2HB       LEU  36   4.193  -5.590   0.415
  275   2HB   LEU  36          1HB       LEU  36   3.803  -4.023   1.101
  276    HG   LEU  36           HG       LEU  36   1.824  -5.890  -0.224
  277   1HD1  LEU  36          1HD1      LEU  36   2.225  -5.217   2.691
  278   2HD1  LEU  36          2HD1      LEU  36   2.593  -6.758   1.917
  279   3HD1  LEU  36          3HD1      LEU  36   0.923  -6.206   2.030
  280   1HD2  LEU  36          1HD2      LEU  36   0.123  -4.334   0.613
  281   2HD2  LEU  36          2HD2      LEU  36   1.216  -3.543  -0.522
  282   3HD2  LEU  36          3HD2      LEU  36   1.391  -3.264   1.211
  283    H    SER  37           H        SER  37   5.983  -5.313  -0.736
  284    HA   SER  37           HA       SER  37   8.222  -4.921  -0.965
  285   1HB   SER  37          2HB       SER  37   7.460  -2.244  -2.173
  286   2HB   SER  37          1HB       SER  37   9.058  -2.987  -2.222
  287    HG   SER  37           HG       SER  37   6.819  -3.494  -3.739
  288    H    ALA  38           H        ALA  38   9.970  -3.786   0.092
  289    HA   ALA  38           HA       ALA  38   9.150  -2.745   2.651
  290   1HB   ALA  38          1HB       ALA  38  11.933  -3.111   1.539
  291   2HB   ALA  38          2HB       ALA  38  11.017  -4.326   2.431
  292   3HB   ALA  38          3HB       ALA  38  11.506  -2.831   3.228
  293    H    GLY  39           H        GLY  39  10.946  -0.904   3.435
  294   1HA   GLY  39          2HA       GLY  39   9.763   1.487   2.672
  295   2HA   GLY  39          1HA       GLY  39  11.300   1.362   3.504
  296    H    GLU  40           H        GLU  40  13.181   0.694   1.904
  297    HA   GLU  40           HA       GLU  40  13.563   2.807   0.116
  298   1HB   GLU  40          2HB       GLU  40  14.932   0.107   0.175
  299   2HB   GLU  40          1HB       GLU  40  15.462   1.453  -0.821
  300   1HG   GLU  40          2HG       GLU  40  16.855   1.439   1.079
  301   2HG   GLU  40          1HG       GLU  40  15.739   2.783   1.300
  302    H    GLN  41           H        GLN  41  12.611  -0.543  -0.567
  303    HA   GLN  41           HA       GLN  41  12.542  -0.422  -3.356
  304   1HB   GLN  41          2HB       GLN  41  10.586  -2.034  -1.709
  305   2HB   GLN  41          1HB       GLN  41  11.260  -2.428  -3.285
  306   1HG   GLN  41          2HG       GLN  41  13.472  -2.724  -2.242
  307   2HG   GLN  41          1HG       GLN  41  12.758  -2.379  -0.669
  308   1HE2  GLN  41          1HE2      GLN  41  13.123  -4.727  -3.183
  309   2HE2  GLN  41          2HE2      GLN  41  12.391  -6.039  -2.332
  310    H    ALA  42           H        ALA  42  10.148   0.546  -0.962
  311    HA   ALA  42           HA       ALA  42   7.998   1.005  -2.760
  312   1HB   ALA  42          1HB       ALA  42   7.656   0.647  -0.359
  313   2HB   ALA  42          2HB       ALA  42   6.929   2.161  -0.896
  314   3HB   ALA  42          3HB       ALA  42   8.457   2.181  -0.015
  315    H    GLN  43           H        GLN  43  10.365   3.255  -1.256
  316    HA   GLN  43           HA       GLN  43   9.319   5.575  -2.513
  317   1HB   GLN  43          2HB       GLN  43  10.706   5.756  -0.515
  318   2HB   GLN  43          1HB       GLN  43  12.087   5.095  -1.380
  319   1HG   GLN  43          2HG       GLN  43  12.214   7.046  -2.788
  320   2HG   GLN  43          1HG       GLN  43  10.713   7.679  -2.117
  321   1HE2  GLN  43          1HE2      GLN  43  10.768   8.776  -0.162
  322   2HE2  GLN  43          2HE2      GLN  43  12.238   9.137   0.667
  323    H    GLU  44           H        GLU  44  11.823   3.267  -3.511
  324    HA   GLU  44           HA       GLU  44  12.705   4.670  -5.804
  325   1HB   GLU  44          2HB       GLU  44  12.621   1.679  -5.311
  326   2HB   GLU  44          1HB       GLU  44  13.478   2.450  -6.638
  327   1HG   GLU  44          2HG       GLU  44  14.848   3.676  -4.950
  328   2HG   GLU  44          1HG       GLU  44  14.068   2.713  -3.695
  329    H    THR  45           H        THR  45  10.266   2.064  -5.514
  330    HA   THR  45           HA       THR  45   9.339   2.153  -8.172
  331    HB   THR  45           HB       THR  45   7.719   1.484  -5.693
  332    HG1  THR  45           HG1      THR  45   9.271  -0.025  -5.698
  333   1HG2  THR  45          1HG2      THR  45   7.260   0.738  -8.592
  334   2HG2  THR  45          2HG2      THR  45   6.307   1.898  -7.666
  335   3HG2  THR  45          3HG2      THR  45   6.297   0.191  -7.220
  336    H    ALA  46           H        ALA  46   8.398   3.990  -5.311
  337    HA   ALA  46           HA       ALA  46   6.184   5.339  -6.380
  338   1HB   ALA  46          1HB       ALA  46   8.081   6.352  -4.261
  339   2HB   ALA  46          2HB       ALA  46   6.748   5.233  -3.974
  340   3HB   ALA  46          3HB       ALA  46   6.418   6.873  -4.532
  341    H    ALA  47           H        ALA  47   9.619   6.309  -6.241
  342    HA   ALA  47           HA       ALA  47   9.420   8.873  -7.294
  343   1HB   ALA  47          1HB       ALA  47  11.471   7.935  -6.325
  344   2HB   ALA  47          2HB       ALA  47  11.770   8.641  -7.913
  345   3HB   ALA  47          3HB       ALA  47  11.658   6.889  -7.734
  346    H    LYS  48           H        LYS  48   9.618   5.792  -8.999
  347    HA   LYS  48           HA       LYS  48   9.787   7.034 -11.596
  348   1HB   LYS  48          2HB       LYS  48   9.510   4.127 -10.810
  349   2HB   LYS  48          1HB       LYS  48   9.964   4.739 -12.387
  350   1HG   LYS  48          2HG       LYS  48  12.028   5.645 -11.490
  351   2HG   LYS  48          1HG       LYS  48  11.563   5.136  -9.865
  352   1HD   LYS  48          2HD       LYS  48  11.563   2.782 -10.636
  353   2HD   LYS  48          1HD       LYS  48  12.104   3.324 -12.226
  354   1HE   LYS  48          2HE       LYS  48  13.598   3.682  -9.623
  355   2HE   LYS  48          1HE       LYS  48  13.975   2.503 -10.878
  356   1HZ   LYS  48          1HZ       LYS  48  14.412   4.346 -12.401
  357   2HZ   LYS  48          2HZ       LYS  48  15.416   4.414 -11.042
  358   3HZ   LYS  48          3HZ       LYS  48  14.093   5.459 -11.166
  359    H    TRP  49           H        TRP  49   7.328   5.290  -9.700
  360    HA   TRP  49           HA       TRP  49   5.572   5.290 -12.070
  361   1HB   TRP  49          2HB       TRP  49   5.586   3.351  -9.754
  362   2HB   TRP  49          1HB       TRP  49   4.534   3.267 -11.164
  363    HD1  TRP  49           HD1      TRP  49   7.761   1.984  -9.916
  364    HE1  TRP  49           HE1      TRP  49   9.101   0.866 -11.811
  365    HE3  TRP  49           HE3      TRP  49   5.071   3.686 -13.920
  366    HZ2  TRP  49           HZ2      TRP  49   9.028   0.731 -14.629
  367    HZ3  TRP  49           HZ3      TRP  49   5.776   3.017 -16.182
  368    HH2  TRP  49           HH2      TRP  49   7.714   1.571 -16.528
  369    H    PHE  50           H        PHE  50   5.759   6.855  -9.087
  370    HA   PHE  50           HA       PHE  50   2.876   7.353  -9.109
  371   1HB   PHE  50          2HB       PHE  50   4.327   6.190  -6.743
  372   2HB   PHE  50          1HB       PHE  50   2.794   7.037  -6.581
  373    HD1  PHE  50           HD2      PHE  50   0.850   6.179  -8.070
  374    HD2  PHE  50           HD1      PHE  50   4.326   3.898  -7.131
  375    HE1  PHE  50           HE2      PHE  50  -0.371   4.105  -8.591
  376    HE2  PHE  50           HE1      PHE  50   3.110   1.824  -7.652
  377    HZ   PHE  50           HZ       PHE  50   0.758   1.926  -8.381
  378    H    ARG  51           H        ARG  51   5.541   8.064  -6.866
  379    HA   ARG  51           HA       ARG  51   4.477  10.483  -5.996
  380   1HB   ARG  51          2HB       ARG  51   7.225   9.288  -5.846
  381   2HB   ARG  51          1HB       ARG  51   6.912  10.896  -5.228
  382   1HG   ARG  51          2HG       ARG  51   5.576   8.354  -4.319
  383   2HG   ARG  51          1HG       ARG  51   6.805   9.266  -3.442
  384   1HD   ARG  51          2HD       ARG  51   5.206  11.221  -3.451
  385   2HD   ARG  51          1HD       ARG  51   3.981  10.120  -4.083
  386    HE   ARG  51           HE       ARG  51   5.283   9.313  -1.617
  387   1HH1  ARG  51          1HH1      ARG  51   2.548  10.832  -3.063
  388   2HH1  ARG  51          2HH1      ARG  51   1.558  10.631  -1.661
  389   1HH2  ARG  51          1HH2      ARG  51   4.020   9.108   0.183
  390   2HH2  ARG  51          2HH2      ARG  51   2.392   9.684   0.160
  391    H    GLY  52           H        GLY  52   3.885  11.781  -7.677
  392   1HA   GLY  52          2HA       GLY  52   5.731  13.803  -8.375
  393   2HA   GLY  52          1HA       GLY  52   5.480  12.750  -9.762
  394    H    GLN  53           H        GLN  53   2.978  13.393  -7.399
  395    HA   GLN  53           HA       GLN  53   1.586  15.369  -8.899
  396   1HB   GLN  53          2HB       GLN  53  -0.327  13.922  -9.634
  397   2HB   GLN  53          1HB       GLN  53   1.170  13.645 -10.510
  398   1HG   GLN  53          2HG       GLN  53   1.590  11.634  -9.193
  399   2HG   GLN  53          1HG       GLN  53   0.118  11.923  -8.267
  400   1HE2  GLN  53          1HE2      GLN  53  -0.737   9.926  -8.907
  401   2HE2  GLN  53          2HE2      GLN  53  -1.339   9.655 -10.498
  402    H    ALA  54           H        ALA  54  -0.908  15.296  -8.183
  403    HA   ALA  54           HA       ALA  54  -0.731  15.546  -5.287
  404   1HB   ALA  54          1HB       ALA  54  -2.813  16.806  -5.471
  405   2HB   ALA  54          2HB       ALA  54  -2.933  16.378  -7.179
  406   3HB   ALA  54          3HB       ALA  54  -1.610  17.400  -6.618
  407    H    ASN  55           H        ASN  55  -2.628  14.970  -3.931
  408    HA   ASN  55           HA       ASN  55  -4.176  13.582  -3.037
  409   1HB   ASN  55          2HB       ASN  55  -4.727  12.905  -5.933
  410   2HB   ASN  55          1HB       ASN  55  -5.723  12.367  -4.584
  411   1HD2  ASN  55          1HD2      ASN  55  -6.432  14.042  -6.833
  412   2HD2  ASN  55          2HD2      ASN  55  -6.990  15.537  -6.168
  413    H    LEU  56           H        LEU  56  -1.382  12.587  -3.769
  414    HA   LEU  56           HA       LEU  56  -1.770   9.731  -4.096
  415   1HB   LEU  56          2HB       LEU  56   0.749  11.318  -3.594
  416   2HB   LEU  56          1HB       LEU  56   0.686   9.604  -3.966
  417    HG   LEU  56           HG       LEU  56  -0.082  11.883  -5.790
  418   1HD1  LEU  56          1HD1      LEU  56   1.753  11.005  -7.175
  419   2HD1  LEU  56          2HD1      LEU  56   2.123   9.827  -5.917
  420   3HD1  LEU  56          3HD1      LEU  56   2.308  11.551  -5.593
  421   1HD2  LEU  56          1HD2      LEU  56  -0.300   8.906  -6.263
  422   2HD2  LEU  56          2HD2      LEU  56  -0.554  10.163  -7.474
  423   3HD2  LEU  56          3HD2      LEU  56  -1.645  10.038  -6.095
  424    H    VAL  57           H        VAL  57  -2.829   9.004  -2.283
  425    HA   VAL  57           HA       VAL  57  -1.984   9.529   0.392
  426    HB   VAL  57           HB       VAL  57  -3.699   7.257  -0.653
  427   1HG1  VAL  57          1HG1      VAL  57  -4.562   7.118   1.644
  428   2HG1  VAL  57          2HG1      VAL  57  -3.411   8.355   2.151
  429   3HG1  VAL  57          3HG1      VAL  57  -2.831   6.790   1.581
  430   1HG2  VAL  57          1HG2      VAL  57  -4.510   9.957   0.440
  431   2HG2  VAL  57          2HG2      VAL  57  -5.612   8.652  -0.003
  432   3HG2  VAL  57          3HG2      VAL  57  -4.631   9.436  -1.241
  433    H    LEU  58           H        LEU  58  -0.692   8.358   1.741
  434    HA   LEU  58           HA       LEU  58   0.918   6.209   0.532
  435   1HB   LEU  58          2HB       LEU  58   2.177   8.197   1.215
  436   2HB   LEU  58          1HB       LEU  58   1.534   8.061   2.841
  437    HG   LEU  58           HG       LEU  58   2.728   5.899   3.110
  438   1HD1  LEU  58          1HD1      LEU  58   2.835   5.210   0.784
  439   2HD1  LEU  58          2HD1      LEU  58   4.452   5.272   1.484
  440   3HD1  LEU  58          3HD1      LEU  58   3.905   6.561   0.412
  441   1HD2  LEU  58          1HD2      LEU  58   4.978   6.849   3.292
  442   2HD2  LEU  58          2HD2      LEU  58   3.754   7.961   3.903
  443   3HD2  LEU  58          3HD2      LEU  58   4.477   8.230   2.316
  444    H    LEU  59           H        LEU  59  -0.176   4.356   1.039
  445    HA   LEU  59           HA       LEU  59  -1.360   3.917   3.618
  446   1HB   LEU  59          2HB       LEU  59  -0.758   1.931   1.420
  447   2HB   LEU  59          1HB       LEU  59  -1.777   1.640   2.820
  448    HG   LEU  59           HG       LEU  59  -2.334   3.568   0.557
  449   1HD1  LEU  59          1HD1      LEU  59  -3.723   1.024   1.403
  450   2HD1  LEU  59          2HD1      LEU  59  -2.722   1.242  -0.034
  451   3HD1  LEU  59          3HD1      LEU  59  -4.251   2.108   0.116
  452   1HD2  LEU  59          1HD2      LEU  59  -4.471   4.008   1.683
  453   2HD2  LEU  59          2HD2      LEU  59  -3.099   4.527   2.660
  454   3HD2  LEU  59          3HD2      LEU  59  -3.949   3.032   3.056
  455    H    ALA  60           H        ALA  60  -0.055   3.788   5.316
  456    HA   ALA  60           HA       ALA  60   2.428   2.215   5.155
  457   1HB   ALA  60          1HB       ALA  60   2.700   4.511   5.935
  458   2HB   ALA  60          2HB       ALA  60   3.082   3.370   7.225
  459   3HB   ALA  60          3HB       ALA  60   1.539   4.225   7.231
  460    H    VAL  61           H        VAL  61   1.928   0.128   5.568
  461    HA   VAL  61           HA       VAL  61   0.161  -0.494   7.850
  462    HB   VAL  61           HB       VAL  61   1.067  -2.333   5.617
  463   1HG1  VAL  61          1HG1      VAL  61  -0.655  -3.860   6.432
  464   2HG1  VAL  61          2HG1      VAL  61  -1.061  -2.734   7.728
  465   3HG1  VAL  61          3HG1      VAL  61   0.521  -3.515   7.701
  466   1HG2  VAL  61          1HG2      VAL  61  -0.367  -0.568   4.740
  467   2HG2  VAL  61          2HG2      VAL  61  -1.574  -0.905   5.983
  468   3HG2  VAL  61          3HG2      VAL  61  -1.222  -2.111   4.744
  469    H    GLU  62           H        GLU  62   0.889  -1.707   9.568
  470    HA   GLU  62           HA       GLU  62   3.744  -1.946   9.903
  471   1HB   GLU  62          2HB       GLU  62   1.733  -3.134  11.804
  472   2HB   GLU  62          1HB       GLU  62   3.322  -2.474  12.156
  473   1HG   GLU  62          2HG       GLU  62   0.845  -0.923  11.430
  474   2HG   GLU  62          1HG       GLU  62   1.589  -1.031  13.020
  475    H    ALA  63           H        ALA  63   4.870  -3.626   9.080
  476    HA   ALA  63           HA       ALA  63   3.601  -6.176   8.497
  477   1HB   ALA  63          1HB       ALA  63   6.469  -5.280   8.159
  478   2HB   ALA  63          2HB       ALA  63   5.216  -5.266   6.919
  479   3HB   ALA  63          3HB       ALA  63   5.796  -6.800   7.567
  480    H    GLU  64           H        GLU  64   4.009  -5.187  11.304
  481    HA   GLU  64           HA       GLU  64   6.061  -6.712  12.533
  482   1HB   GLU  64          2HB       GLU  64   5.200  -4.595  13.442
  483   2HB   GLU  64          1HB       GLU  64   3.663  -5.374  13.789
  484   1HG   GLU  64          2HG       GLU  64   4.675  -6.799  15.423
  485   2HG   GLU  64          1HG       GLU  64   6.290  -6.255  14.966
  486    HA   PRO  65           HA       PRO  65   2.301  -9.677  13.831
  487   1HB   PRO  65          2HB       PRO  65   0.610  -9.966  11.622
  488   2HB   PRO  65          1HB       PRO  65   0.223  -9.089  13.105
  489   1HG   PRO  65          2HG       PRO  65   1.205  -8.036  10.481
  490   2HG   PRO  65          1HG       PRO  65   0.010  -7.344  11.596
  491   1HD   PRO  65          2HD       PRO  65   2.501  -6.371  11.467
  492   2HD   PRO  65          1HD       PRO  65   1.646  -6.493  13.020
  493    H    LEU  66           H        LEU  66   2.406  -9.699  10.259
  494    HA   LEU  66           HA       LEU  66   3.408 -11.062   8.745
  495   1HB   LEU  66          2HB       LEU  66   5.329  -9.786   9.825
  496   2HB   LEU  66          1HB       LEU  66   5.655 -11.237  10.752
  497    HG   LEU  66           HG       LEU  66   6.041 -12.473   8.627
  498   1HD1  LEU  66          1HD1      LEU  66   5.741  -9.747   7.361
  499   2HD1  LEU  66          2HD1      LEU  66   4.663 -11.126   7.143
  500   3HD1  LEU  66          3HD1      LEU  66   6.321 -11.201   6.547
  501   1HD2  LEU  66          1HD2      LEU  66   7.922 -11.539   9.852
  502   2HD2  LEU  66          2HD2      LEU  66   7.727  -9.997   9.019
  503   3HD2  LEU  66          3HD2      LEU  66   8.209 -11.433   8.116
  504    H    GLY  67           H        GLY  67   1.586 -12.574   9.817
  505   1HA   GLY  67          2HA       GLY  67   2.818 -15.076  10.785
  506   2HA   GLY  67          1HA       GLY  67   1.101 -14.700  10.790
  507    H    GLU  68           H        GLU  68  -0.110 -15.670   9.251
  508    HA   GLU  68           HA       GLU  68   1.199 -16.766   6.877
  509   1HB   GLU  68          2HB       GLU  68  -1.135 -17.828   6.591
  510   2HB   GLU  68          1HB       GLU  68  -0.096 -18.441   7.857
  511   1HG   GLU  68          2HG       GLU  68  -2.255 -18.315   8.773
  512   2HG   GLU  68          1HG       GLU  68  -1.364 -16.956   9.450
  513    H    ASP  69           H        ASP  69   0.318 -13.908   7.558
  514    HA   ASP  69           HA       ASP  69  -1.523 -13.290   5.400
  515   1HB   ASP  69          2HB       ASP  69  -1.103 -10.894   6.342
  516   2HB   ASP  69          1HB       ASP  69  -2.035 -12.043   7.296
  517    H    LEU  70           H        LEU  70   1.584 -11.802   6.364
  518    HA   LEU  70           HA       LEU  70   2.072 -11.136   3.546
  519   1HB   LEU  70          2HB       LEU  70   2.063  -9.290   5.147
  520   2HB   LEU  70          1HB       LEU  70   3.312 -10.076   6.092
  521    HG   LEU  70           HG       LEU  70   4.895  -9.806   4.209
  522   1HD1  LEU  70          1HD1      LEU  70   4.283  -8.363   2.320
  523   2HD1  LEU  70          2HD1      LEU  70   2.622  -8.304   2.910
  524   3HD1  LEU  70          3HD1      LEU  70   3.313  -9.833   2.368
  525   1HD2  LEU  70          1HD2      LEU  70   3.557  -7.238   5.083
  526   2HD2  LEU  70          2HD2      LEU  70   5.183  -7.380   4.412
  527   3HD2  LEU  70          3HD2      LEU  70   4.808  -8.111   5.972
  528    H    LYS  71           H        LYS  71   3.763 -11.942   2.409
  529    HA   LYS  71           HA       LYS  71   5.757 -13.576   3.863
  530   1HB   LYS  71          2HB       LYS  71   4.198 -15.013   2.619
  531   2HB   LYS  71          1HB       LYS  71   4.565 -14.138   1.135
  532   1HG   LYS  71          2HG       LYS  71   6.957 -14.865   1.407
  533   2HG   LYS  71          1HG       LYS  71   6.424 -15.894   2.737
  534   1HD   LYS  71          2HD       LYS  71   5.512 -16.053  -0.139
  535   2HD   LYS  71          1HD       LYS  71   6.595 -17.180   0.678
  536   1HE   LYS  71          2HE       LYS  71   4.768 -17.769   2.230
  537   2HE   LYS  71          1HE       LYS  71   3.696 -16.674   1.355
  538   1HZ   LYS  71          1HZ       LYS  71   4.967 -19.142   0.319
  539   2HZ   LYS  71          2HZ       LYS  71   4.155 -18.028  -0.657
  540   3HZ   LYS  71          3HZ       LYS  71   3.315 -18.857   0.550
  541    H    TRP  72           H        TRP  72   7.814 -12.946   3.581
  542    HA   TRP  72           HA       TRP  72   8.589 -11.003   1.613
  543   1HB   TRP  72          2HB       TRP  72  10.230 -12.753   3.469
  544   2HB   TRP  72          1HB       TRP  72  10.916 -11.502   2.438
  545    HD1  TRP  72           HD1      TRP  72   8.530 -11.871   5.459
  546    HE1  TRP  72           HE1      TRP  72   8.561  -9.664   6.781
  547    HE3  TRP  72           HE3      TRP  72  11.462  -9.088   2.330
  548    HZ2  TRP  72           HZ2      TRP  72   9.682  -7.088   6.538
  549    HZ3  TRP  72           HZ3      TRP  72  11.972  -6.760   2.949
  550    HH2  TRP  72           HH2      TRP  72  11.099  -5.779   5.012
  551    H    GLU  73           H        GLU  73   8.621 -11.554  -0.502
  552    HA   GLU  73           HA       GLU  73   9.762 -14.175  -1.253
  553   1HB   GLU  73          2HB       GLU  73   7.327 -14.288  -1.358
  554   2HB   GLU  73          1HB       GLU  73   7.276 -12.856  -2.372
  555   1HG   GLU  73          2HG       GLU  73   8.893 -15.098  -3.411
  556   2HG   GLU  73          1HG       GLU  73   7.160 -15.393  -3.294
  557    H    ALA  74           H        ALA  74  11.121 -14.205  -3.004
  558    HA   ALA  74           HA       ALA  74  11.523 -11.683  -4.484
  559   1HB   ALA  74          1HB       ALA  74  13.740 -13.347  -3.280
  560   2HB   ALA  74          2HB       ALA  74  13.175 -11.793  -2.673
  561   3HB   ALA  74          3HB       ALA  74  13.943 -11.890  -4.256
  562    H    SER  75           H        SER  75  10.805 -12.337  -6.454
  563    HA   SER  75           HA       SER  75  11.141 -14.764  -7.756
  564   1HB   SER  75          2HB       SER  75  10.837 -13.480  -9.859
  565   2HB   SER  75          1HB       SER  75   9.696 -12.973  -8.610
  566    HG   SER  75           HG       SER  75  10.784 -11.222  -9.756
  567    H    ARG  76           H        ARG  76  13.255 -11.914  -7.898
  568    HA   ARG  76           HA       ARG  76  15.256 -13.231  -9.501
  569   1HB   ARG  76          2HB       ARG  76  16.515 -11.127  -9.233
  570   2HB   ARG  76          1HB       ARG  76  14.861 -10.846  -9.760
  571   1HG   ARG  76          2HG       ARG  76  14.230 -10.265  -7.460
  572   2HG   ARG  76          1HG       ARG  76  15.896 -10.527  -6.944
  573   1HD   ARG  76          2HD       ARG  76  15.548  -8.168  -7.240
  574   2HD   ARG  76          1HD       ARG  76  16.616  -8.743  -8.519
  575    HE   ARG  76           HE       ARG  76  14.289  -8.844  -9.772
  576   1HH1  ARG  76          1HH1      ARG  76  15.574  -6.376  -7.738
  577   2HH1  ARG  76          2HH1      ARG  76  14.701  -5.114  -8.530
  578   1HH2  ARG  76          1HH2      ARG  76  13.182  -7.196 -10.797
  579   2HH2  ARG  76          2HH2      ARG  76  13.374  -5.569 -10.239
  580    H    GLY  77           H        GLY  77  14.536 -13.797  -6.395
  581   1HA   GLY  77          2HA       GLY  77  15.740 -14.984  -4.805
  582   2HA   GLY  77          1HA       GLY  77  17.186 -14.776  -5.778
  583    H    GLY  78           H        GLY  78  17.999 -12.396  -5.802
  584   1HA   GLY  78          2HA       GLY  78  18.449 -11.620  -3.062
  585   2HA   GLY  78          1HA       GLY  78  19.110 -10.842  -4.489
  586    H    ALA  79           H        ALA  79  17.854  -9.713  -2.019
  587    HA   ALA  79           HA       ALA  79  16.480  -8.017  -1.384
  588   1HB   ALA  79          1HB       ALA  79  15.643  -6.442  -3.047
  589   2HB   ALA  79          2HB       ALA  79  16.029  -7.577  -4.341
  590   3HB   ALA  79          3HB       ALA  79  17.324  -6.861  -3.380
  591    H    ARG  80           H        ARG  80  14.876  -9.066  -0.308
  592    HA   ARG  80           HA       ARG  80  12.892 -10.609  -1.773
  593   1HB   ARG  80          2HB       ARG  80  13.144 -10.228   1.215
  594   2HB   ARG  80          1HB       ARG  80  12.254 -11.495   0.374
  595   1HG   ARG  80          2HG       ARG  80  14.331 -12.430  -0.479
  596   2HG   ARG  80          1HG       ARG  80  15.247 -11.124   0.273
  597   1HD   ARG  80          2HD       ARG  80  15.475 -12.971   1.718
  598   2HD   ARG  80          1HD       ARG  80  14.295 -11.914   2.487
  599    HE   ARG  80           HE       ARG  80  13.016 -13.876   0.874
  600   1HH1  ARG  80          1HH1      ARG  80  14.563 -13.392   3.902
  601   2HH1  ARG  80          2HH1      ARG  80  13.793 -14.750   4.642
  602   1HH2  ARG  80          1HH2      ARG  80  12.034 -15.622   1.816
  603   2HH2  ARG  80          2HH2      ARG  80  12.387 -16.020   3.463
  604    H    PHE  81           H        PHE  81  11.057  -9.745  -2.457
  605    HA   PHE  81           HA       PHE  81  10.068  -7.238  -1.345
  606   1HB   PHE  81          2HB       PHE  81   9.060  -8.884  -3.683
  607   2HB   PHE  81          1HB       PHE  81   8.485  -7.283  -3.244
  608    HD1  PHE  81           HD2      PHE  81  11.419  -9.165  -4.491
  609    HD2  PHE  81           HD1      PHE  81   9.611  -5.341  -3.989
  610    HE1  PHE  81           HE2      PHE  81  13.122  -8.170  -5.961
  611    HE2  PHE  81           HE1      PHE  81  11.310  -4.343  -5.463
  612    HZ   PHE  81           HZ       PHE  81  13.068  -5.757  -6.449
  613    HA   PRO  82           HA       PRO  82   7.141  -9.628   1.229
  614   1HB   PRO  82          2HB       PRO  82   5.938  -7.337   2.242
  615   2HB   PRO  82          1HB       PRO  82   7.331  -8.150   2.957
  616   1HG   PRO  82          2HG       PRO  82   7.237  -5.733   1.206
  617   2HG   PRO  82          1HG       PRO  82   8.289  -6.079   2.592
  618   1HD   PRO  82          2HD       PRO  82   9.153  -6.278   0.039
  619   2HD   PRO  82          1HD       PRO  82   9.749  -7.352   1.322
  620    H    HIS  83           H        HIS  83   5.518 -10.513   0.089
  621    HA   HIS  83           HA       HIS  83   3.672  -8.753  -1.408
  622   1HB   HIS  83          2HB       HIS  83   4.410 -11.642  -1.961
  623   2HB   HIS  83          1HB       HIS  83   3.212 -10.714  -2.859
  624    HD1  HIS  83           HD1      HIS  83   6.164 -11.953  -3.741
  625    HD2  HIS  83           HD2      HIS  83   4.987  -7.989  -3.328
  626    HE1  HIS  83           HE1      HIS  83   7.753 -10.629  -5.151
  627    HE2  HIS  83           HE2      HIS  83   6.896  -8.268  -5.046
  628    H    LEU  84           H        LEU  84   1.523  -8.888  -1.029
  629    HA   LEU  84           HA       LEU  84   0.645 -10.650   1.150
  630   1HB   LEU  84          2HB       LEU  84   0.256  -8.192   1.313
  631   2HB   LEU  84          1HB       LEU  84  -0.773  -8.292  -0.100
  632    HG   LEU  84           HG       LEU  84  -2.315  -9.787   1.153
  633   1HD1  LEU  84          1HD1      LEU  84  -2.068  -9.972   3.592
  634   2HD1  LEU  84          2HD1      LEU  84  -0.496  -9.177   3.485
  635   3HD1  LEU  84          3HD1      LEU  84  -0.742 -10.751   2.728
  636   1HD2  LEU  84          1HD2      LEU  84  -3.264  -8.056   2.589
  637   2HD2  LEU  84          2HD2      LEU  84  -2.731  -7.377   1.050
  638   3HD2  LEU  84          3HD2      LEU  84  -1.758  -7.142   2.502
  639    H    TYR  85           H        TYR  85  -0.094 -12.561   0.451
  640    HA   TYR  85           HA       TYR  85  -1.189 -12.891  -2.213
  641   1HB   TYR  85          2HB       TYR  85  -0.684 -14.864   0.028
  642   2HB   TYR  85          1HB       TYR  85  -1.280 -15.313  -1.565
  643    HD1  TYR  85           HD2      TYR  85   1.627 -13.849   0.230
  644    HD2  TYR  85           HD1      TYR  85   0.215 -15.615  -3.380
  645    HE1  TYR  85           HE2      TYR  85   3.943 -14.067  -0.566
  646    HE2  TYR  85           HE1      TYR  85   2.527 -15.839  -4.181
  647    HH   TYR  85           HH       TYR  85   4.729 -14.832  -3.787
  648    H    ARG  86           H        ARG  86  -2.827 -11.318  -0.344
  649    HA   ARG  86           HA       ARG  86  -5.338 -12.686  -0.702
  650   1HB   ARG  86          2HB       ARG  86  -5.983 -12.902   1.584
  651   2HB   ARG  86          1HB       ARG  86  -4.393 -13.637   1.442
  652   1HG   ARG  86          2HG       ARG  86  -3.643 -11.167   2.162
  653   2HG   ARG  86          1HG       ARG  86  -5.241 -11.201   2.905
  654   1HD   ARG  86          2HD       ARG  86  -2.921 -13.055   3.405
  655   2HD   ARG  86          1HD       ARG  86  -3.689 -11.951   4.541
  656    HE   ARG  86           HE       ARG  86  -5.516 -13.912   3.569
  657   1HH1  ARG  86          1HH1      ARG  86  -3.052 -13.302   5.872
  658   2HH1  ARG  86          2HH1      ARG  86  -3.482 -14.645   6.866
  659   1HH2  ARG  86          1HH2      ARG  86  -6.081 -15.645   4.861
  660   2HH2  ARG  86          2HH2      ARG  86  -5.171 -15.948   6.304
  661    HA   PRO  87           HA       PRO  87  -6.757  -8.473  -1.136
  662   1HB   PRO  87          2HB       PRO  87  -9.377  -8.853  -0.260
  663   2HB   PRO  87          1HB       PRO  87  -8.798  -9.120  -1.907
  664   1HG   PRO  87          2HG       PRO  87  -9.232 -11.095   0.294
  665   2HG   PRO  87          1HG       PRO  87  -9.562 -11.257  -1.441
  666   1HD   PRO  87          2HD       PRO  87  -7.413 -12.407  -0.320
  667   2HD   PRO  87          1HD       PRO  87  -7.333 -11.704  -1.950
  668    H    LEU  88           H        LEU  88  -6.231  -6.876   0.211
  669    HA   LEU  88           HA       LEU  88  -5.990  -7.274   3.035
  670   1HB   LEU  88          2HB       LEU  88  -4.399  -5.954   1.679
  671   2HB   LEU  88          1HB       LEU  88  -5.656  -4.776   1.362
  672    HG   LEU  88           HG       LEU  88  -5.723  -4.226   3.781
  673   1HD1  LEU  88          1HD1      LEU  88  -4.953  -6.361   4.678
  674   2HD1  LEU  88          2HD1      LEU  88  -3.946  -5.033   5.254
  675   3HD1  LEU  88          3HD1      LEU  88  -3.358  -6.094   3.974
  676   1HD2  LEU  88          1HD2      LEU  88  -4.343  -2.910   2.252
  677   2HD2  LEU  88          2HD2      LEU  88  -2.989  -4.008   2.520
  678   3HD2  LEU  88          3HD2      LEU  88  -3.600  -3.020   3.848
  679    H    LEU  89           H        LEU  89  -7.080  -6.191   4.730
  680    HA   LEU  89           HA       LEU  89  -9.774  -5.221   4.053
  681   1HB   LEU  89          2HB       LEU  89  -8.630  -5.781   6.796
  682   2HB   LEU  89          1HB       LEU  89 -10.318  -5.557   6.377
  683    HG   LEU  89           HG       LEU  89  -8.578  -7.899   5.587
  684   1HD1  LEU  89          1HD1      LEU  89 -10.918  -7.709   7.484
  685   2HD1  LEU  89          2HD1      LEU  89  -9.227  -7.948   7.928
  686   3HD1  LEU  89          3HD1      LEU  89 -10.084  -9.194   7.021
  687   1HD2  LEU  89          1HD2      LEU  89 -10.631  -8.872   4.651
  688   2HD2  LEU  89          2HD2      LEU  89 -10.152  -7.402   3.804
  689   3HD2  LEU  89          3HD2      LEU  89 -11.483  -7.358   4.962
  690    H    VAL  90           H        VAL  90 -10.554  -3.150   4.757
  691    HA   VAL  90           HA       VAL  90  -8.618  -1.071   4.761
  692    HB   VAL  90           HB       VAL  90 -11.556  -0.999   5.492
  693   1HG1  VAL  90          1HG1      VAL  90  -9.650   1.316   5.084
  694   2HG1  VAL  90          2HG1      VAL  90 -10.440   0.868   6.596
  695   3HG1  VAL  90          3HG1      VAL  90 -11.401   1.453   5.237
  696   1HG2  VAL  90          1HG2      VAL  90 -10.071  -0.139   3.002
  697   2HG2  VAL  90          2HG2      VAL  90 -11.810   0.000   3.270
  698   3HG2  VAL  90          3HG2      VAL  90 -11.059  -1.592   3.167
  699    H    SER  91           H        SER  91 -10.447  -2.583   7.407
  700    HA   SER  91           HA       SER  91  -9.319  -0.946   9.468
  701   1HB   SER  91          2HB       SER  91 -11.438  -2.160   9.813
  702   2HB   SER  91          1HB       SER  91 -10.588  -3.697   9.674
  703    HG   SER  91           HG       SER  91  -9.262  -2.672  11.524
  704    H    GLU  92           H        GLU  92  -7.978  -3.316   7.542
  705    HA   GLU  92           HA       GLU  92  -5.992  -4.157   9.523
  706   1HB   GLU  92          2HB       GLU  92  -7.139  -5.827   8.046
  707   2HB   GLU  92          1HB       GLU  92  -6.357  -5.080   6.664
  708   1HG   GLU  92          2HG       GLU  92  -4.238  -5.835   7.305
  709   2HG   GLU  92          1HG       GLU  92  -4.761  -6.180   8.954
  710    H    VAL  93           H        VAL  93  -6.450  -1.777   7.199
  711    HA   VAL  93           HA       VAL  93  -3.637  -1.317   6.617
  712    HB   VAL  93           HB       VAL  93  -5.978   0.552   6.124
  713   1HG1  VAL  93          1HG1      VAL  93  -3.214   0.449   4.903
  714   2HG1  VAL  93          2HG1      VAL  93  -3.811   1.660   6.038
  715   3HG1  VAL  93          3HG1      VAL  93  -4.507   1.548   4.422
  716   1HG2  VAL  93          1HG2      VAL  93  -6.381  -1.586   5.011
  717   2HG2  VAL  93          2HG2      VAL  93  -4.791  -1.502   4.252
  718   3HG2  VAL  93          3HG2      VAL  93  -6.031  -0.319   3.835
  719    H    THR  94           H        THR  94  -2.361  -0.496   8.197
  720    HA   THR  94           HA       THR  94  -3.416   0.472  10.625
  721    HB   THR  94           HB       THR  94  -0.564   0.942   9.764
  722    HG1  THR  94           HG1      THR  94  -1.641  -1.473  10.856
  723   1HG2  THR  94          1HG2      THR  94  -1.298   1.895  11.918
  724   2HG2  THR  94          2HG2      THR  94  -0.108   0.615  12.141
  725   3HG2  THR  94          3HG2      THR  94  -1.816   0.293  12.443
  726    H    ARG  95           H        ARG  95  -1.258   2.353   8.427
  727    HA   ARG  95           HA       ARG  95  -2.699   4.784   9.308
  728   1HB   ARG  95          2HB       ARG  95   0.213   4.311   8.787
  729   2HB   ARG  95          1HB       ARG  95  -0.449   5.908   8.484
  730   1HG   ARG  95          2HG       ARG  95   0.398   6.025  10.650
  731   2HG   ARG  95          1HG       ARG  95  -1.339   5.831  10.866
  732   1HD   ARG  95          2HD       ARG  95  -0.202   4.422  12.443
  733   2HD   ARG  95          1HD       ARG  95  -0.972   3.403  11.229
  734    HE   ARG  95           HE       ARG  95   1.097   2.622  10.654
  735   1HH1  ARG  95          1HH1      ARG  95   1.519   5.627  12.317
  736   2HH1  ARG  95          2HH1      ARG  95   3.241   5.474  12.356
  737   1HH2  ARG  95          1HH2      ARG  95   3.291   2.435  10.741
  738   2HH2  ARG  95          2HH2      ARG  95   4.232   3.688  11.487
  739    H    GLU  96           H        GLU  96  -3.738   5.943   7.827
  740    HA   GLU  96           HA       GLU  96  -2.980   5.693   4.990
  741   1HB   GLU  96          2HB       GLU  96  -5.140   6.836   4.511
  742   2HB   GLU  96          1HB       GLU  96  -5.345   5.319   5.373
  743   1HG   GLU  96          2HG       GLU  96  -5.653   6.565   7.471
  744   2HG   GLU  96          1HG       GLU  96  -5.490   8.078   6.583
  745    H    ALA  97           H        ALA  97  -1.144   6.993   4.947
  746    HA   ALA  97           HA       ALA  97  -1.152   9.562   6.309
  747   1HB   ALA  97          1HB       ALA  97   0.805   8.082   6.445
  748   2HB   ALA  97          2HB       ALA  97   1.208   9.657   5.761
  749   3HB   ALA  97          3HB       ALA  97   1.045   8.252   4.705
  750    H    ASP  98           H        ASP  98  -1.125  11.562   5.380
  751    HA   ASP  98           HA       ASP  98  -1.886  11.766   2.596
  752   1HB   ASP  98          2HB       ASP  98  -1.465  13.891   4.710
  753   2HB   ASP  98          1HB       ASP  98  -2.086  14.196   3.088
  754    H    LEU  99           H        LEU  99  -0.796  13.222   1.095
  755    HA   LEU  99           HA       LEU  99   2.058  12.746   1.183
  756   1HB   LEU  99          2HB       LEU  99   2.141  13.291  -1.121
  757   2HB   LEU  99          1HB       LEU  99   0.735  12.283  -0.864
  758    HG   LEU  99           HG       LEU  99   0.588  15.293  -1.154
  759   1HD1  LEU  99          1HD1      LEU  99  -0.146  14.895  -3.452
  760   2HD1  LEU  99          2HD1      LEU  99   0.184  13.172  -3.262
  761   3HD1  LEU  99          3HD1      LEU  99   1.506  14.338  -3.192
  762   1HD2  LEU  99          1HD2      LEU  99  -1.371  14.504  -0.075
  763   2HD2  LEU  99          2HD2      LEU  99  -1.498  13.114  -1.153
  764   3HD2  LEU  99          3HD2      LEU  99  -1.800  14.739  -1.767
  765    H    ASP 100           H        ASP 100   3.400  14.143   2.107
  766    HA   ASP 100           HA       ASP 100   3.091  17.000   1.433
  767   1HB   ASP 100          2HB       ASP 100   3.179  16.538   3.881
  768   2HB   ASP 100          1HB       ASP 100   4.761  15.793   3.666
  769    H    LEU 101           H        LEU 101   4.074  17.062  -0.540
  770    HA   LEU 101           HA       LEU 101   6.639  15.673  -0.878
  771   1HB   LEU 101          2HB       LEU 101   4.549  16.607  -2.827
  772   2HB   LEU 101          1HB       LEU 101   6.152  16.118  -3.353
  773    HG   LEU 101           HG       LEU 101   4.219  14.355  -1.835
  774   1HD1  LEU 101          1HD1      LEU 101   4.988  14.298  -4.756
  775   2HD1  LEU 101          2HD1      LEU 101   3.437  14.836  -4.111
  776   3HD1  LEU 101          3HD1      LEU 101   3.929  13.153  -3.929
  777   1HD2  LEU 101          1HD2      LEU 101   5.834  12.567  -2.504
  778   2HD2  LEU 101          2HD2      LEU 101   6.481  13.724  -1.339
  779   3HD2  LEU 101          3HD2      LEU 101   6.942  13.833  -3.035
  780    H    ASP 102           H        ASP 102   8.325  16.624  -2.098
  781    HA   ASP 102           HA       ASP 102   8.309  19.462  -2.669
  782   1HB   ASP 102          2HB       ASP 102   8.738  19.270  -0.165
  783   2HB   ASP 102          1HB       ASP 102  10.260  18.483  -0.566
  784    H    ALA 103           H        ALA 103  10.596  20.171  -3.419
  785    HA   ALA 103           HA       ALA 103  12.375  19.970  -4.805
  786   1HB   ALA 103          1HB       ALA 103  13.270  18.596  -2.976
  787   2HB   ALA 103          2HB       ALA 103  13.855  18.065  -4.553
  788   3HB   ALA 103          3HB       ALA 103  12.584  17.158  -3.732
  789    H    ASP 104           H        ASP 104  11.469  16.561  -5.116
  790    HA   ASP 104           HA       ASP 104  10.881  17.021  -7.979
  791   1HB   ASP 104          2HB       ASP 104  12.115  14.580  -6.667
  792   2HB   ASP 104          1HB       ASP 104  11.740  14.736  -8.381
  793    H    GLY 105           H        GLY 105   9.252  16.650  -5.300
  794   1HA   GLY 105          2HA       GLY 105   7.183  15.793  -4.751
  795   2HA   GLY 105          1HA       GLY 105   7.029  15.257  -6.416
  796    H    VAL 106           H        VAL 106   9.672  14.246  -4.344
  797    HA   VAL 106           HA       VAL 106   8.497  11.540  -4.113
  798    HB   VAL 106           HB       VAL 106  11.340  12.045  -4.939
  799   1HG1  VAL 106          1HG1      VAL 106   9.727   9.497  -4.819
  800   2HG1  VAL 106          2HG1      VAL 106  11.076   9.942  -3.773
  801   3HG1  VAL 106          3HG1      VAL 106  11.355   9.636  -5.486
  802   1HG2  VAL 106          1HG2      VAL 106   9.857  12.758  -6.735
  803   2HG2  VAL 106          2HG2      VAL 106   9.009  11.212  -6.668
  804   3HG2  VAL 106          3HG2      VAL 106  10.695  11.271  -7.183
  805    HA   PRO 107           HA       PRO 107  12.099  11.939  -0.980
  806   1HB   PRO 107          2HB       PRO 107  12.922  14.286  -0.112
  807   2HB   PRO 107          1HB       PRO 107  13.202  13.840  -1.801
  808   1HG   PRO 107          2HG       PRO 107  11.091  15.625  -0.645
  809   2HG   PRO 107          1HG       PRO 107  12.078  15.862  -2.096
  810   1HD   PRO 107          2HD       PRO 107   9.490  14.822  -2.049
  811   2HD   PRO 107          1HD       PRO 107  10.641  14.674  -3.392
  812    H    GLN 108           H        GLN 108   9.493  11.485  -0.074
  813    HA   GLN 108           HA       GLN 108   9.471  12.892   2.492
  814   1HB   GLN 108          2HB       GLN 108   7.230  13.482   2.358
  815   2HB   GLN 108          1HB       GLN 108   7.820  13.752   0.731
  816   1HG   GLN 108          2HG       GLN 108   5.973  11.630   1.745
  817   2HG   GLN 108          1HG       GLN 108   5.748  12.794   0.442
  818   1HE2  GLN 108          1HE2      GLN 108   8.159  12.285  -0.989
  819   2HE2  GLN 108          2HE2      GLN 108   8.035  10.694  -1.648
  820    H    LEU 109           H        LEU 109  10.317  10.178   1.703
  821    HA   LEU 109           HA       LEU 109   8.733   8.693   3.678
  822   1HB   LEU 109          2HB       LEU 109  10.173   7.857   1.329
  823   2HB   LEU 109          1HB       LEU 109  10.807   7.019   2.731
  824    HG   LEU 109           HG       LEU 109   8.510   6.260   3.295
  825   1HD1  LEU 109          1HD1      LEU 109   7.230   8.045   2.265
  826   2HD1  LEU 109          2HD1      LEU 109   6.726   6.481   1.628
  827   3HD1  LEU 109          3HD1      LEU 109   7.762   7.533   0.662
  828   1HD2  LEU 109          1HD2      LEU 109  10.002   4.816   2.009
  829   2HD2  LEU 109          2HD2      LEU 109   9.418   5.536   0.508
  830   3HD2  LEU 109          3HD2      LEU 109   8.322   4.593   1.519
  831    H    GLY 110           H        GLY 110  11.540  10.559   3.438
  832   1HA   GLY 110          2HA       GLY 110  13.212   9.313   5.372
  833   2HA   GLY 110          1HA       GLY 110  13.262  11.007   4.904
  834    H    ASP 111           H        ASP 111  10.239  10.875   5.688
  835    HA   ASP 111           HA       ASP 111  10.512  11.677   8.442
  836   1HB   ASP 111          2HB       ASP 111   7.975  11.230   6.846
  837   2HB   ASP 111          1HB       ASP 111   8.169  12.226   8.285
  838    H    HIS 112           H        HIS 112   9.585   8.818   6.702
  839    HA   HIS 112           HA       HIS 112   8.272   7.628   9.047
  840   1HB   HIS 112          2HB       HIS 112   8.287   6.559   6.220
  841   2HB   HIS 112          1HB       HIS 112   7.196   6.120   7.531
  842    HD1  HIS 112           HD1      HIS 112   5.706   8.325   8.405
  843    HD2  HIS 112           HD2      HIS 112   7.206   8.368   4.540
  844    HE1  HIS 112           HE1      HIS 112   4.393  10.086   7.197
  845    HE2  HIS 112           HE2      HIS 112   5.464  10.231   4.929
  846    H    LEU 113           H        LEU 113  10.785   6.908   6.636
  847    HA   LEU 113           HA       LEU 113  11.498   4.394   7.807
  848   1HB   LEU 113          2HB       LEU 113  13.098   6.068   5.867
  849   2HB   LEU 113          1HB       LEU 113  13.309   4.358   6.195
  850    HG   LEU 113           HG       LEU 113  10.951   5.647   4.805
  851   1HD1  LEU 113          1HD1      LEU 113  13.097   3.784   3.782
  852   2HD1  LEU 113          2HD1      LEU 113  12.945   5.504   3.417
  853   3HD1  LEU 113          3HD1      LEU 113  11.712   4.372   2.861
  854   1HD2  LEU 113          1HD2      LEU 113  11.420   2.752   5.528
  855   2HD2  LEU 113          2HD2      LEU 113  10.157   3.336   4.445
  856   3HD2  LEU 113          3HD2      LEU 113  10.145   3.806   6.143
  857    H    ALA 114           H        ALA 114  13.511   7.269   7.334
  858    HA   ALA 114           HA       ALA 114  15.159   6.593   9.617
  859   1HB   ALA 114          1HB       ALA 114  16.516   8.515   8.952
  860   2HB   ALA 114          2HB       ALA 114  15.298   8.975   7.761
  861   3HB   ALA 114          3HB       ALA 114  16.190   7.466   7.571
  862    H    LEU 115           H        LEU 115  15.196   7.629  11.584
  863    HA   LEU 115           HA       LEU 115  12.894   9.203  12.303
  864   1HB   LEU 115          2HB       LEU 115  15.325   8.360  13.897
  865   2HB   LEU 115          1HB       LEU 115  13.995   9.283  14.570
  866    HG   LEU 115           HG       LEU 115  13.706   6.992  15.201
  867   1HD1  LEU 115          1HD1      LEU 115  11.508   6.499  14.291
  868   2HD1  LEU 115          2HD1      LEU 115  11.778   7.635  12.969
  869   3HD1  LEU 115          3HD1      LEU 115  11.669   8.222  14.630
  870   1HD2  LEU 115          1HD2      LEU 115  13.505   5.168  13.592
  871   2HD2  LEU 115          2HD2      LEU 115  15.086   5.940  13.481
  872   3HD2  LEU 115          3HD2      LEU 115  13.851   6.282  12.268
  873    H    GLU 116           H        GLU 116  13.443  10.874  10.682
  874    HA   GLU 116           HA       GLU 116  15.210  12.943  11.808
  875   1HB   GLU 116          2HB       GLU 116  16.418  11.679  10.052
  876   2HB   GLU 116          1HB       GLU 116  15.156  12.090   8.901
  877   1HG   GLU 116          2HG       GLU 116  15.745  14.394   8.951
  878   2HG   GLU 116          1HG       GLU 116  16.822  14.151  10.328
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1   6.363  -5.941  12.982
    2   2H    MET   1          2H        MET   1   6.785  -6.657  14.447
    3   3H    MET   1          3H        MET   1   7.933  -6.531  13.209
    4    HA   MET   1           HA       MET   1   6.707  -4.315  14.753
    5   1HB   MET   1          2HB       MET   1   9.570  -5.300  14.618
    6   2HB   MET   1          1HB       MET   1   9.012  -3.909  15.540
    7   1HG   MET   1          2HG       MET   1   7.652  -5.340  16.941
    8   2HG   MET   1          1HG       MET   1   8.106  -6.750  15.984
    9   1HE   MET   1          1HE       MET   1   8.370  -6.648  19.151
   10   2HE   MET   1          2HE       MET   1   9.956  -7.385  19.372
   11   3HE   MET   1          3HE       MET   1   8.839  -8.043  18.176
   12    H    THR   2           H        THR   2   8.712  -5.224  11.970
   13    HA   THR   2           HA       THR   2   9.358  -2.625  11.083
   14    HB   THR   2           HB       THR   2   9.593  -3.640   8.818
   15    HG1  THR   2           HG1      THR   2   8.248  -5.275   8.524
   16   1HG2  THR   2          1HG2      THR   2  10.786  -5.281  11.062
   17   2HG2  THR   2          2HG2      THR   2  11.455  -3.789  10.398
   18   3HG2  THR   2          3HG2      THR   2  11.367  -5.239   9.399
   19    H    LEU   3           H        LEU   3   8.437  -1.439   9.253
   20    HA   LEU   3           HA       LEU   3   5.503  -1.528   9.297
   21   1HB   LEU   3          2HB       LEU   3   7.348   0.645   8.290
   22   2HB   LEU   3          1HB       LEU   3   5.601   0.755   8.412
   23    HG   LEU   3           HG       LEU   3   7.536   0.517  10.727
   24   1HD1  LEU   3          1HD1      LEU   3   6.772   2.782  11.286
   25   2HD1  LEU   3          2HD1      LEU   3   5.808   2.819   9.809
   26   3HD1  LEU   3          3HD1      LEU   3   7.567   2.726   9.712
   27   1HD2  LEU   3          1HD2      LEU   3   5.576   0.813  12.163
   28   2HD2  LEU   3          2HD2      LEU   3   5.453  -0.662  11.206
   29   3HD2  LEU   3          3HD2      LEU   3   4.525   0.765  10.747
   30    H    ILE   4           H        ILE   4   4.258  -1.641   7.462
   31    HA   ILE   4           HA       ILE   4   5.616  -2.492   4.977
   32    HB   ILE   4           HB       ILE   4   2.681  -2.853   5.514
   33   1HG1  ILE   4          2HG1      ILE   4   4.792  -4.876   6.317
   34   2HG1  ILE   4          1HG1      ILE   4   4.016  -3.780   7.456
   35   1HG2  ILE   4          1HG2      ILE   4   3.456  -3.267   3.256
   36   2HG2  ILE   4          2HG2      ILE   4   2.978  -4.790   4.006
   37   3HG2  ILE   4          3HG2      ILE   4   4.688  -4.383   3.849
   38   1HD1  ILE   4          1HD1      ILE   4   1.844  -4.762   6.917
   39   2HD1  ILE   4          2HD1      ILE   4   2.984  -5.966   7.514
   40   3HD1  ILE   4          3HD1      ILE   4   2.629  -5.870   5.790
   41    H    TYR   5           H        TYR   5   4.975  -1.563   2.962
   42    HA   TYR   5           HA       TYR   5   3.256   0.829   3.120
   43   1HB   TYR   5          2HB       TYR   5   6.004   0.725   1.844
   44   2HB   TYR   5          1HB       TYR   5   4.896   2.089   1.750
   45    HD1  TYR   5           HD2      TYR   5   6.760  -0.012   4.214
   46    HD2  TYR   5           HD1      TYR   5   4.979   3.767   3.388
   47    HE1  TYR   5           HE2      TYR   5   7.724   0.891   6.288
   48    HE2  TYR   5           HE1      TYR   5   5.927   4.671   5.466
   49    HH   TYR   5           HH       TYR   5   8.288   2.950   7.323
   50    H    LYS   6           H        LYS   6   1.937   1.169   1.400
   51    HA   LYS   6           HA       LYS   6   2.636   0.127  -1.225
   52   1HB   LYS   6          2HB       LYS   6   1.419  -1.751  -0.338
   53   2HB   LYS   6          1HB       LYS   6   0.111  -0.713   0.214
   54   1HG   LYS   6          2HG       LYS   6  -0.693  -0.366  -1.962
   55   2HG   LYS   6          1HG       LYS   6   0.818  -0.897  -2.702
   56   1HD   LYS   6          2HD       LYS   6   0.388  -3.182  -2.095
   57   2HD   LYS   6          1HD       LYS   6  -1.009  -2.716  -1.127
   58   1HE   LYS   6          2HE       LYS   6  -2.291  -2.191  -3.032
   59   2HE   LYS   6          1HE       LYS   6  -0.882  -2.167  -4.083
   60   1HZ   LYS   6          1HZ       LYS   6  -2.267  -4.175  -4.340
   61   2HZ   LYS   6          2HZ       LYS   6  -1.928  -4.596  -2.740
   62   3HZ   LYS   6          3HZ       LYS   6  -0.684  -4.538  -3.882
   63    H    ILE   7           H        ILE   7   2.253   1.648  -2.694
   64    HA   ILE   7           HA       ILE   7   0.559   3.932  -1.993
   65    HB   ILE   7           HB       ILE   7   2.486   3.605  -4.315
   66   1HG1  ILE   7          2HG1      ILE   7   3.790   5.385  -2.999
   67   2HG1  ILE   7          1HG1      ILE   7   2.768   4.975  -1.628
   68   1HG2  ILE   7          1HG2      ILE   7   2.209   6.026  -4.640
   69   2HG2  ILE   7          2HG2      ILE   7   0.985   6.052  -3.369
   70   3HG2  ILE   7          3HG2      ILE   7   0.690   5.155  -4.859
   71   1HD1  ILE   7          1HD1      ILE   7   4.906   3.841  -1.513
   72   2HD1  ILE   7          2HD1      ILE   7   4.616   3.093  -3.084
   73   3HD1  ILE   7          3HD1      ILE   7   3.595   2.677  -1.705
   74    H    LEU   8           H        LEU   8  -1.303   4.448  -3.035
   75    HA   LEU   8           HA       LEU   8  -1.970   3.249  -5.608
   76   1HB   LEU   8          2HB       LEU   8  -4.072   2.304  -4.905
   77   2HB   LEU   8          1HB       LEU   8  -2.784   1.602  -3.947
   78    HG   LEU   8           HG       LEU   8  -4.576   3.833  -2.957
   79   1HD1  LEU   8          1HD1      LEU   8  -5.919   1.854  -3.388
   80   2HD1  LEU   8          2HD1      LEU   8  -5.733   2.110  -1.653
   81   3HD1  LEU   8          3HD1      LEU   8  -4.788   0.862  -2.466
   82   1HD2  LEU   8          1HD2      LEU   8  -2.421   3.702  -1.818
   83   2HD2  LEU   8          2HD2      LEU   8  -2.681   1.987  -1.497
   84   3HD2  LEU   8          3HD2      LEU   8  -3.730   3.195  -0.752
   85    H    SER   9           H        SER   9  -4.095   4.137  -6.448
   86    HA   SER   9           HA       SER   9  -4.178   6.980  -6.149
   87   1HB   SER   9          2HB       SER   9  -4.768   6.080  -8.299
   88   2HB   SER   9          1HB       SER   9  -6.012   5.047  -7.592
   89    HG   SER   9           HG       SER   9  -6.282   7.509  -8.520
   90    H    ARG  10           H        ARG  10  -5.824   8.293  -5.268
   91    HA   ARG  10           HA       ARG  10  -6.994   7.490  -2.871
   92   1HB   ARG  10          2HB       ARG  10  -6.636   9.870  -3.693
   93   2HB   ARG  10          1HB       ARG  10  -8.095   9.672  -4.653
   94   1HG   ARG  10          2HG       ARG  10  -8.677  10.821  -2.638
   95   2HG   ARG  10          1HG       ARG  10  -9.349   9.190  -2.551
   96   1HD   ARG  10          2HD       ARG  10  -7.270   8.547  -1.246
   97   2HD   ARG  10          1HD       ARG  10  -6.907  10.271  -1.148
   98    HE   ARG  10           HE       ARG  10  -9.539   9.488  -0.221
   99   1HH1  ARG  10          1HH1      ARG  10  -6.280  10.265   0.626
  100   2HH1  ARG  10          2HH1      ARG  10  -6.645  10.407   2.308
  101   1HH2  ARG  10          1HH2      ARG  10  -9.985   9.707   1.935
  102   2HH2  ARG  10          2HH2      ARG  10  -8.720  10.120   3.039
  103    H    ALA  11           H        ALA  11  -8.338   7.470  -6.149
  104    HA   ALA  11           HA       ALA  11 -10.995   6.791  -5.512
  105   1HB   ALA  11          1HB       ALA  11 -11.199   6.086  -7.834
  106   2HB   ALA  11          2HB       ALA  11  -9.441   6.063  -7.998
  107   3HB   ALA  11          3HB       ALA  11 -10.282   7.590  -7.725
  108    H    GLU  12           H        GLU  12  -8.131   4.774  -5.946
  109    HA   GLU  12           HA       GLU  12  -9.459   2.256  -5.821
  110   1HB   GLU  12          2HB       GLU  12  -6.593   3.051  -5.262
  111   2HB   GLU  12          1HB       GLU  12  -7.153   1.385  -5.260
  112   1HG   GLU  12          2HG       GLU  12  -7.381   3.223  -7.635
  113   2HG   GLU  12          1HG       GLU  12  -6.028   2.126  -7.363
  114    H    TRP  13           H        TRP  13  -8.000   4.368  -3.400
  115    HA   TRP  13           HA       TRP  13  -8.216   2.502  -1.245
  116   1HB   TRP  13          2HB       TRP  13  -6.510   4.251  -1.265
  117   2HB   TRP  13          1HB       TRP  13  -7.756   5.493  -1.222
  118    HD1  TRP  13           HD1      TRP  13  -7.612   6.560   1.092
  119    HE1  TRP  13           HE1      TRP  13  -7.514   5.702   3.513
  120    HE3  TRP  13           HE3      TRP  13  -7.272   1.532   0.178
  121    HZ2  TRP  13           HZ2      TRP  13  -7.339   3.239   4.862
  122    HZ3  TRP  13           HZ3      TRP  13  -7.147  -0.004   2.096
  123    HH2  TRP  13           HH2      TRP  13  -7.176   0.834   4.390
  124    H    ASP  14           H        ASP  14 -10.106   5.405  -2.143
  125    HA   ASP  14           HA       ASP  14 -11.998   5.244  -0.082
  126   1HB   ASP  14          2HB       ASP  14 -12.338   6.289  -2.905
  127   2HB   ASP  14          1HB       ASP  14 -13.470   6.573  -1.586
  128    H    ALA  15           H        ALA  15 -11.981   3.738  -3.311
  129    HA   ALA  15           HA       ALA  15 -14.445   2.395  -3.173
  130   1HB   ALA  15          1HB       ALA  15 -13.125   2.579  -5.233
  131   2HB   ALA  15          2HB       ALA  15 -13.531   0.898  -4.883
  132   3HB   ALA  15          3HB       ALA  15 -11.906   1.501  -4.553
  133    H    ALA  16           H        ALA  16 -11.231   1.479  -1.996
  134    HA   ALA  16           HA       ALA  16 -11.810  -1.087  -1.048
  135   1HB   ALA  16          1HB       ALA  16  -9.907   0.926   0.156
  136   2HB   ALA  16          2HB       ALA  16  -9.537  -0.162  -1.181
  137   3HB   ALA  16          3HB       ALA  16  -9.885  -0.818   0.420
  138    H    LYS  17           H        LYS  17 -12.052   2.048   0.637
  139    HA   LYS  17           HA       LYS  17 -13.034   1.088   3.084
  140   1HB   LYS  17          2HB       LYS  17 -13.606   3.747   1.748
  141   2HB   LYS  17          1HB       LYS  17 -13.887   3.379   3.445
  142   1HG   LYS  17          2HG       LYS  17 -11.461   2.987   3.731
  143   2HG   LYS  17          1HG       LYS  17 -11.213   3.452   2.047
  144   1HD   LYS  17          2HD       LYS  17 -12.110   5.682   2.527
  145   2HD   LYS  17          1HD       LYS  17 -12.390   5.217   4.206
  146   1HE   LYS  17          2HE       LYS  17  -9.978   4.837   4.487
  147   2HE   LYS  17          1HE       LYS  17  -9.713   5.336   2.819
  148   1HZ   LYS  17          1HZ       LYS  17 -10.852   7.053   4.959
  149   2HZ   LYS  17          2HZ       LYS  17 -10.536   7.526   3.368
  150   3HZ   LYS  17          3HZ       LYS  17  -9.258   7.115   4.396
  151    H    ALA  18           H        ALA  18 -14.735   1.945   0.100
  152    HA   ALA  18           HA       ALA  18 -17.374   1.790   1.012
  153   1HB   ALA  18          1HB       ALA  18 -17.994   1.443  -1.320
  154   2HB   ALA  18          2HB       ALA  18 -16.321   1.047  -1.719
  155   3HB   ALA  18          3HB       ALA  18 -16.737   2.675  -1.184
  156    H    GLN  19           H        GLN  19 -15.253  -0.793  -0.223
  157    HA   GLN  19           HA       GLN  19 -17.296  -2.805   0.403
  158   1HB   GLN  19          2HB       GLN  19 -15.758  -4.404  -0.705
  159   2HB   GLN  19          1HB       GLN  19 -16.199  -3.057  -1.745
  160   1HG   GLN  19          2HG       GLN  19 -14.049  -1.991  -1.271
  161   2HG   GLN  19          1HG       GLN  19 -13.611  -3.342  -0.230
  162   1HE2  GLN  19          1HE2      GLN  19 -12.275  -2.363  -2.610
  163   2HE2  GLN  19          2HE2      GLN  19 -12.215  -3.690  -3.712
  164    H    GLY  20           H        GLY  20 -14.910  -1.268   2.090
  165   1HA   GLY  20          2HA       GLY  20 -13.983  -1.669   4.164
  166   2HA   GLY  20          1HA       GLY  20 -14.953  -3.129   4.256
  167    H    ARG  21           H        ARG  21 -13.077  -3.093   1.453
  168    HA   ARG  21           HA       ARG  21 -10.834  -4.552   2.663
  169   1HB   ARG  21          2HB       ARG  21 -12.626  -5.735   0.521
  170   2HB   ARG  21          1HB       ARG  21 -11.130  -6.451   1.103
  171   1HG   ARG  21          2HG       ARG  21 -12.110  -6.794   3.294
  172   2HG   ARG  21          1HG       ARG  21 -13.595  -5.987   2.782
  173   1HD   ARG  21          2HD       ARG  21 -14.003  -7.712   1.131
  174   2HD   ARG  21          1HD       ARG  21 -12.471  -8.491   1.523
  175    HE   ARG  21           HE       ARG  21 -13.511  -8.789   3.821
  176   1HH1  ARG  21          1HH1      ARG  21 -15.434  -8.591   0.973
  177   2HH1  ARG  21          2HH1      ARG  21 -16.621  -9.697   1.570
  178   1HH2  ARG  21          1HH2      ARG  21 -15.045 -10.175   4.582
  179   2HH2  ARG  21          2HH2      ARG  21 -16.405 -10.577   3.598
  180    H    PHE  22           H        PHE  22  -9.019  -4.808   1.237
  181    HA   PHE  22           HA       PHE  22  -9.267  -3.650  -1.456
  182   1HB   PHE  22          2HB       PHE  22  -8.120  -2.024   0.126
  183   2HB   PHE  22          1HB       PHE  22  -6.832  -3.211   0.303
  184    HD1  PHE  22           HD2      PHE  22  -8.689  -1.307  -2.304
  185    HD2  PHE  22           HD1      PHE  22  -4.985  -3.136  -1.198
  186    HE1  PHE  22           HE2      PHE  22  -7.634  -0.413  -4.337
  187    HE2  PHE  22           HE1      PHE  22  -3.946  -2.240  -3.230
  188    HZ   PHE  22           HZ       PHE  22  -5.264  -0.878  -4.801
  189    H    GLU  23           H        GLU  23  -7.157  -4.239  -2.706
  190    HA   GLU  23           HA       GLU  23  -5.390  -5.566  -3.222
  191   1HB   GLU  23          2HB       GLU  23  -6.296  -7.319  -0.960
  192   2HB   GLU  23          1HB       GLU  23  -4.988  -7.759  -2.046
  193   1HG   GLU  23          2HG       GLU  23  -5.090  -5.385  -0.194
  194   2HG   GLU  23          1HG       GLU  23  -4.051  -6.805  -0.060
  195    H    GLY  24           H        GLY  24  -4.972  -7.542  -4.397
  196   1HA   GLY  24          2HA       GLY  24  -5.558  -8.955  -6.126
  197   2HA   GLY  24          1HA       GLY  24  -7.203  -8.971  -5.506
  198    H    SER  25           H        SER  25  -5.220  -6.217  -6.530
  199    HA   SER  25           HA       SER  25  -7.365  -5.178  -8.179
  200   1HB   SER  25          2HB       SER  25  -5.953  -3.234  -8.475
  201   2HB   SER  25          1HB       SER  25  -5.863  -3.720  -6.782
  202    HG   SER  25           HG       SER  25  -3.806  -4.158  -7.021
  203    H    ALA  26           H        ALA  26  -6.389  -4.090 -10.356
  204    HA   ALA  26           HA       ALA  26  -6.072  -6.072 -12.252
  205   1HB   ALA  26          1HB       ALA  26  -6.703  -3.763 -12.778
  206   2HB   ALA  26          2HB       ALA  26  -5.369  -4.315 -13.790
  207   3HB   ALA  26          3HB       ALA  26  -5.056  -3.234 -12.432
  208    H    VAL  27           H        VAL  27  -3.478  -4.093 -10.776
  209    HA   VAL  27           HA       VAL  27  -1.372  -5.381 -12.203
  210    HB   VAL  27           HB       VAL  27  -1.134  -3.816  -9.621
  211   1HG1  VAL  27          1HG1      VAL  27   0.886  -4.394 -11.797
  212   2HG1  VAL  27          2HG1      VAL  27   0.869  -5.099 -10.180
  213   3HG1  VAL  27          3HG1      VAL  27   1.157  -3.371 -10.385
  214   1HG2  VAL  27          1HG2      VAL  27  -2.326  -2.518 -11.335
  215   2HG2  VAL  27          2HG2      VAL  27  -1.005  -2.803 -12.468
  216   3HG2  VAL  27          3HG2      VAL  27  -0.725  -1.850 -11.011
  217    H    ASP  28           H        ASP  28  -2.438  -5.672  -8.783
  218    HA   ASP  28           HA       ASP  28  -0.571  -7.566  -7.956
  219   1HB   ASP  28          2HB       ASP  28  -3.422  -7.137  -7.041
  220   2HB   ASP  28          1HB       ASP  28  -2.295  -8.210  -6.219
  221    H    LEU  29           H        LEU  29  -3.763  -8.138  -9.454
  222    HA   LEU  29           HA       LEU  29  -3.513 -10.988  -9.439
  223   1HB   LEU  29          2HB       LEU  29  -5.312  -9.145 -11.011
  224   2HB   LEU  29          1HB       LEU  29  -5.415 -10.894 -11.090
  225    HG   LEU  29           HG       LEU  29  -5.879  -9.204  -8.622
  226   1HD1  LEU  29          1HD1      LEU  29  -8.205  -9.935  -8.832
  227   2HD1  LEU  29          2HD1      LEU  29  -7.811 -10.766 -10.338
  228   3HD1  LEU  29          3HD1      LEU  29  -7.686  -9.008 -10.240
  229   1HD2  LEU  29          1HD2      LEU  29  -6.597 -11.299  -7.563
  230   2HD2  LEU  29          2HD2      LEU  29  -4.898 -11.355  -8.030
  231   3HD2  LEU  29          3HD2      LEU  29  -6.108 -12.194  -9.002
  232    H    ALA  30           H        ALA  30  -2.701  -8.470 -11.783
  233    HA   ALA  30           HA       ALA  30  -2.226 -10.070 -14.030
  234   1HB   ALA  30          1HB       ALA  30  -0.788  -7.537 -13.227
  235   2HB   ALA  30          2HB       ALA  30  -2.308  -7.625 -14.116
  236   3HB   ALA  30          3HB       ALA  30  -0.825  -8.242 -14.844
  237    H    ASP  31           H        ASP  31   0.008  -9.117 -11.417
  238    HA   ASP  31           HA       ASP  31   2.203 -10.655 -12.381
  239   1HB   ASP  31          2HB       ASP  31   1.570  -9.542  -9.639
  240   2HB   ASP  31          1HB       ASP  31   3.081 -10.360 -10.025
  241    H    GLY  32           H        GLY  32  -0.423 -11.336 -10.097
  242   1HA   GLY  32          2HA       GLY  32  -1.192 -13.741 -10.339
  243   2HA   GLY  32          1HA       GLY  32   0.477 -14.160  -9.991
  244    H    PHE  33           H        PHE  33   0.599 -11.887  -8.025
  245    HA   PHE  33           HA       PHE  33  -1.287 -12.505  -5.951
  246   1HB   PHE  33          2HB       PHE  33   0.429 -13.248  -4.289
  247   2HB   PHE  33          1HB       PHE  33   0.145 -14.410  -5.577
  248    HD1  PHE  33           HD2      PHE  33   1.811 -14.258  -7.612
  249    HD2  PHE  33           HD1      PHE  33   2.596 -12.699  -3.727
  250    HE1  PHE  33           HE2      PHE  33   4.225 -14.334  -8.072
  251    HE2  PHE  33           HE1      PHE  33   5.010 -12.780  -4.182
  252    HZ   PHE  33           HZ       PHE  33   5.828 -13.600  -6.356
  253    H    ILE  34           H        ILE  34  -0.822 -11.216  -3.946
  254    HA   ILE  34           HA       ILE  34  -0.583  -8.520  -4.711
  255    HB   ILE  34           HB       ILE  34  -0.483  -9.695  -1.930
  256   1HG1  ILE  34          2HG1      ILE  34  -2.853  -8.666  -3.518
  257   2HG1  ILE  34          1HG1      ILE  34  -2.484 -10.366  -3.238
  258   1HG2  ILE  34          1HG2      ILE  34  -1.117  -6.888  -2.847
  259   2HG2  ILE  34          2HG2      ILE  34   0.302  -7.404  -1.937
  260   3HG2  ILE  34          3HG2      ILE  34  -1.295  -7.487  -1.197
  261   1HD1  ILE  34          1HD1      ILE  34  -2.741  -9.982  -0.816
  262   2HD1  ILE  34          2HD1      ILE  34  -4.207  -9.643  -1.733
  263   3HD1  ILE  34          3HD1      ILE  34  -3.203  -8.312  -1.156
  264    H    HIS  35           H        HIS  35   0.996  -6.993  -4.462
  265    HA   HIS  35           HA       HIS  35   3.578  -7.794  -3.307
  266   1HB   HIS  35          2HB       HIS  35   4.673  -6.680  -5.369
  267   2HB   HIS  35          1HB       HIS  35   4.020  -8.304  -5.552
  268    HD1  HIS  35           HD1      HIS  35   2.909  -4.720  -6.193
  269    HD2  HIS  35           HD2      HIS  35   2.325  -8.568  -7.640
  270    HE1  HIS  35           HE1      HIS  35   1.470  -4.461  -8.230
  271    HE2  HIS  35           HE2      HIS  35   1.337  -6.772  -9.211
  272    H    LEU  36           H        LEU  36   3.724  -6.360  -1.682
  273    HA   LEU  36           HA       LEU  36   3.239  -3.507  -2.192
  274   1HB   LEU  36          2HB       LEU  36   3.882  -4.909   0.420
  275   2HB   LEU  36          1HB       LEU  36   3.449  -3.220   0.235
  276    HG   LEU  36           HG       LEU  36   1.209  -4.088  -0.712
  277   1HD1  LEU  36          1HD1      LEU  36   0.518  -6.290   0.083
  278   2HD1  LEU  36          2HD1      LEU  36   2.151  -6.593   0.680
  279   3HD1  LEU  36          3HD1      LEU  36   1.864  -6.405  -1.050
  280   1HD2  LEU  36          1HD2      LEU  36   1.489  -2.999   1.477
  281   2HD2  LEU  36          2HD2      LEU  36   1.836  -4.570   2.201
  282   3HD2  LEU  36          3HD2      LEU  36   0.249  -4.253   1.500
  283    H    SER  37           H        SER  37   4.943  -2.196  -0.622
  284    HA   SER  37           HA       SER  37   7.667  -3.114  -1.294
  285   1HB   SER  37          2HB       SER  37   6.564  -0.319  -1.718
  286   2HB   SER  37          1HB       SER  37   8.273  -0.738  -1.826
  287    HG   SER  37           HG       SER  37   7.254  -0.728  -3.877
  288    H    ALA  38           H        ALA  38   9.344  -2.308   0.087
  289    HA   ALA  38           HA       ALA  38   8.512  -1.726   2.794
  290   1HB   ALA  38          1HB       ALA  38  11.288  -1.846   1.603
  291   2HB   ALA  38          2HB       ALA  38  10.424  -3.190   2.350
  292   3HB   ALA  38          3HB       ALA  38  10.894  -1.796   3.323
  293    H    GLY  39           H        GLY  39   9.870   0.123   3.954
  294   1HA   GLY  39          2HA       GLY  39   8.810   2.553   3.181
  295   2HA   GLY  39          1HA       GLY  39  10.204   2.384   4.232
  296    H    GLU  40           H        GLU  40  12.245   1.647   2.778
  297    HA   GLU  40           HA       GLU  40  12.948   3.883   1.209
  298   1HB   GLU  40          2HB       GLU  40  14.973   2.582   0.626
  299   2HB   GLU  40          1HB       GLU  40  14.633   2.552   2.351
  300   1HG   GLU  40          2HG       GLU  40  13.715   0.321   2.177
  301   2HG   GLU  40          1HG       GLU  40  13.911   0.344   0.426
  302    H    GLN  41           H        GLN  41  11.889   0.629   0.282
  303    HA   GLN  41           HA       GLN  41  12.289   1.037  -2.521
  304   1HB   GLN  41          2HB       GLN  41  10.758  -1.105  -1.029
  305   2HB   GLN  41          1HB       GLN  41  11.082  -1.131  -2.759
  306   1HG   GLN  41          2HG       GLN  41  13.517  -1.116  -2.256
  307   2HG   GLN  41          1HG       GLN  41  13.128  -1.232  -0.540
  308   1HE2  GLN  41          1HE2      GLN  41  12.386  -3.194   0.280
  309   2HE2  GLN  41          2HE2      GLN  41  12.434  -4.661  -0.634
  310    H    ALA  42           H        ALA  42   9.783   1.922  -0.368
  311    HA   ALA  42           HA       ALA  42   7.607   1.981  -2.214
  312   1HB   ALA  42          1HB       ALA  42   7.252   2.009   0.211
  313   2HB   ALA  42          2HB       ALA  42   6.488   3.397  -0.564
  314   3HB   ALA  42          3HB       ALA  42   8.009   3.598   0.310
  315    H    GLN  43           H        GLN  43   9.787   4.534  -0.989
  316    HA   GLN  43           HA       GLN  43   8.968   6.570  -2.750
  317   1HB   GLN  43          2HB       GLN  43  10.306   7.092  -0.807
  318   2HB   GLN  43          1HB       GLN  43  11.622   6.079  -1.380
  319   1HG   GLN  43          2HG       GLN  43  12.083   8.475  -1.647
  320   2HG   GLN  43          1HG       GLN  43  12.085   7.616  -3.182
  321   1HE2  GLN  43          1HE2      GLN  43   9.103   8.453  -1.572
  322   2HE2  GLN  43          2HE2      GLN  43   8.625   9.675  -2.688
  323    H    GLU  44           H        GLU  44  11.382   4.014  -3.098
  324    HA   GLU  44           HA       GLU  44  12.385   4.729  -5.624
  325   1HB   GLU  44          2HB       GLU  44  13.419   3.027  -4.177
  326   2HB   GLU  44          1HB       GLU  44  12.032   1.973  -4.413
  327   1HG   GLU  44          2HG       GLU  44  12.552   1.765  -6.771
  328   2HG   GLU  44          1HG       GLU  44  13.898   2.890  -6.595
  329    H    THR  45           H        THR  45   9.680   2.569  -4.753
  330    HA   THR  45           HA       THR  45   8.816   1.974  -7.369
  331    HB   THR  45           HB       THR  45   7.149   2.146  -4.838
  332    HG1  THR  45           HG1      THR  45   9.067   0.560  -5.184
  333   1HG2  THR  45          1HG2      THR  45   5.764   2.199  -6.888
  334   2HG2  THR  45          2HG2      THR  45   5.548   0.699  -5.986
  335   3HG2  THR  45          3HG2      THR  45   6.544   0.719  -7.441
  336    H    ALA  46           H        ALA  46   8.213   4.739  -5.276
  337    HA   ALA  46           HA       ALA  46   6.190   5.963  -6.825
  338   1HB   ALA  46          1HB       ALA  46   6.661   6.648  -4.526
  339   2HB   ALA  46          2HB       ALA  46   6.761   8.022  -5.627
  340   3HB   ALA  46          3HB       ALA  46   8.236   7.266  -5.023
  341    H    ALA  47           H        ALA  47   9.695   6.709  -6.691
  342    HA   ALA  47           HA       ALA  47   9.789   8.521  -8.795
  343   1HB   ALA  47          1HB       ALA  47  12.183   8.053  -8.905
  344   2HB   ALA  47          2HB       ALA  47  11.947   6.578  -7.967
  345   3HB   ALA  47          3HB       ALA  47  11.636   8.150  -7.231
  346    H    LYS  48           H        LYS  48   9.696   5.016  -8.921
  347    HA   LYS  48           HA       LYS  48  10.332   4.869 -11.733
  348   1HB   LYS  48          2HB       LYS  48   9.477   2.829  -9.676
  349   2HB   LYS  48          1HB       LYS  48   9.768   2.427 -11.355
  350   1HG   LYS  48          2HG       LYS  48  12.086   3.118 -11.164
  351   2HG   LYS  48          1HG       LYS  48  11.809   3.631  -9.498
  352   1HD   LYS  48          2HD       LYS  48  11.330   1.346  -8.833
  353   2HD   LYS  48          1HD       LYS  48  11.470   0.801 -10.506
  354   1HE   LYS  48          2HE       LYS  48  13.709   2.054  -8.909
  355   2HE   LYS  48          1HE       LYS  48  13.482   0.320  -9.133
  356   1HZ   LYS  48          1HZ       LYS  48  13.748   0.615 -11.505
  357   2HZ   LYS  48          2HZ       LYS  48  15.094   1.232 -10.689
  358   3HZ   LYS  48          3HZ       LYS  48  13.930   2.284 -11.313
  359    H    TRP  49           H        TRP  49   7.398   4.386  -9.742
  360    HA   TRP  49           HA       TRP  49   5.846   4.075 -12.235
  361   1HB   TRP  49          2HB       TRP  49   5.218   2.835  -9.551
  362   2HB   TRP  49          1HB       TRP  49   4.364   2.559 -11.066
  363    HD1  TRP  49           HD1      TRP  49   7.228   1.269  -9.038
  364    HE1  TRP  49           HE1      TRP  49   8.468  -0.577 -10.325
  365    HE3  TRP  49           HE3      TRP  49   5.092   1.913 -13.645
  366    HZ2  TRP  49           HZ2      TRP  49   8.535  -1.629 -12.945
  367    HZ3  TRP  49           HZ3      TRP  49   5.802   0.443 -15.487
  368    HH2  TRP  49           HH2      TRP  49   7.490  -1.291 -15.143
  369    H    PHE  50           H        PHE  50   5.850   5.575  -9.040
  370    HA   PHE  50           HA       PHE  50   3.310   6.936  -9.710
  371   1HB   PHE  50          2HB       PHE  50   4.421   6.227  -6.981
  372   2HB   PHE  50          1HB       PHE  50   2.982   7.201  -7.248
  373    HD1  PHE  50           HD2      PHE  50   0.938   6.188  -8.149
  374    HD2  PHE  50           HD1      PHE  50   4.380   3.835  -7.255
  375    HE1  PHE  50           HE2      PHE  50  -0.438   4.149  -8.223
  376    HE2  PHE  50           HE1      PHE  50   3.007   1.797  -7.325
  377    HZ   PHE  50           HZ       PHE  50   0.596   1.951  -7.810
  378    H    ARG  51           H        ARG  51   5.121   8.194 -10.886
  379    HA   ARG  51           HA       ARG  51   6.897   9.830  -9.376
  380   1HB   ARG  51          2HB       ARG  51   7.460  10.839 -11.513
  381   2HB   ARG  51          1HB       ARG  51   7.364   9.093 -11.680
  382   1HG   ARG  51          2HG       ARG  51   5.165   9.276 -12.688
  383   2HG   ARG  51          1HG       ARG  51   5.171  11.022 -12.446
  384   1HD   ARG  51          2HD       ARG  51   7.068  11.232 -13.976
  385   2HD   ARG  51          1HD       ARG  51   7.091   9.479 -14.198
  386    HE   ARG  51           HE       ARG  51   4.595  10.823 -14.831
  387   1HH1  ARG  51          1HH1      ARG  51   7.590   9.630 -16.045
  388   2HH1  ARG  51          2HH1      ARG  51   6.980   9.427 -17.648
  389   1HH2  ARG  51          1HH2      ARG  51   3.826  10.564 -16.888
  390   2HH2  ARG  51          2HH2      ARG  51   4.866   9.938 -18.118
  391    H    GLY  52           H        GLY  52   3.598  10.140  -9.765
  392   1HA   GLY  52          2HA       GLY  52   3.469  12.715  -8.628
  393   2HA   GLY  52          1HA       GLY  52   3.224  12.859 -10.359
  394    H    GLN  53           H        GLN  53   1.297  12.179 -11.266
  395    HA   GLN  53           HA       GLN  53  -0.945  11.873 -11.376
  396   1HB   GLN  53          2HB       GLN  53  -0.414  10.012  -9.047
  397   2HB   GLN  53          1HB       GLN  53  -1.922  10.078  -9.950
  398   1HG   GLN  53          2HG       GLN  53  -0.705   9.439 -11.994
  399   2HG   GLN  53          1HG       GLN  53   0.783   9.333 -11.057
  400   1HE2  GLN  53          1HE2      GLN  53   1.031   7.153 -11.580
  401   2HE2  GLN  53          2HE2      GLN  53   0.050   5.919 -10.873
  402    H    ALA  54           H        ALA  54  -2.935  11.520  -9.380
  403    HA   ALA  54           HA       ALA  54  -2.650  13.994  -7.783
  404   1HB   ALA  54          1HB       ALA  54  -4.972  14.538  -8.236
  405   2HB   ALA  54          2HB       ALA  54  -5.156  13.066  -9.191
  406   3HB   ALA  54          3HB       ALA  54  -4.090  14.352  -9.753
  407    H    ASN  55           H        ASN  55  -2.820  13.641  -5.677
  408    HA   ASN  55           HA       ASN  55  -3.287  12.738  -3.655
  409   1HB   ASN  55          2HB       ASN  55  -5.863  11.892  -5.003
  410   2HB   ASN  55          1HB       ASN  55  -5.579  11.914  -3.264
  411   1HD2  ASN  55          1HD2      ASN  55  -6.153  13.818  -6.089
  412   2HD2  ASN  55          2HD2      ASN  55  -6.439  15.310  -5.270
  413    H    LEU  56           H        LEU  56  -1.560  11.214  -3.848
  414    HA   LEU  56           HA       LEU  56  -2.351   8.439  -4.430
  415   1HB   LEU  56          2HB       LEU  56   0.383   9.601  -3.853
  416   2HB   LEU  56          1HB       LEU  56   0.054   7.936  -4.295
  417    HG   LEU  56           HG       LEU  56  -0.331  10.366  -6.054
  418   1HD1  LEU  56          1HD1      LEU  56   1.607   8.055  -6.240
  419   2HD1  LEU  56          2HD1      LEU  56   2.003   9.704  -5.759
  420   3HD1  LEU  56          3HD1      LEU  56   1.452   9.376  -7.399
  421   1HD2  LEU  56          1HD2      LEU  56  -0.920   8.772  -7.824
  422   2HD2  LEU  56          2HD2      LEU  56  -2.082   8.729  -6.499
  423   3HD2  LEU  56          3HD2      LEU  56  -0.874   7.452  -6.653
  424    H    VAL  57           H        VAL  57  -2.870   7.104  -2.782
  425    HA   VAL  57           HA       VAL  57  -2.404   7.967  -0.044
  426    HB   VAL  57           HB       VAL  57  -3.851   5.501  -1.036
  427   1HG1  VAL  57          1HG1      VAL  57  -4.826   5.430   1.214
  428   2HG1  VAL  57          2HG1      VAL  57  -3.838   6.812   1.688
  429   3HG1  VAL  57          3HG1      VAL  57  -3.069   5.280   1.271
  430   1HG2  VAL  57          1HG2      VAL  57  -4.944   8.194  -0.206
  431   2HG2  VAL  57          2HG2      VAL  57  -5.911   6.768  -0.582
  432   3HG2  VAL  57          3HG2      VAL  57  -4.936   7.528  -1.840
  433    H    LEU  58           H        LEU  58  -0.792   7.281   1.183
  434    HA   LEU  58           HA       LEU  58   0.779   4.938   0.384
  435   1HB   LEU  58          2HB       LEU  58   2.049   6.968   0.785
  436   2HB   LEU  58          1HB       LEU  58   1.327   7.153   2.369
  437    HG   LEU  58           HG       LEU  58   2.472   5.064   3.103
  438   1HD1  LEU  58          1HD1      LEU  58   2.711   3.949   0.971
  439   2HD1  LEU  58          2HD1      LEU  58   4.298   4.170   1.708
  440   3HD1  LEU  58          3HD1      LEU  58   3.783   5.222   0.388
  441   1HD2  LEU  58          1HD2      LEU  58   4.721   6.037   3.240
  442   2HD2  LEU  58          2HD2      LEU  58   3.468   7.231   3.580
  443   3HD2  LEU  58          3HD2      LEU  58   4.280   7.227   2.014
  444    H    LEU  59           H        LEU  59  -0.328   3.176   1.125
  445    HA   LEU  59           HA       LEU  59  -1.504   3.072   3.740
  446   1HB   LEU  59          2HB       LEU  59  -0.882   0.861   1.776
  447   2HB   LEU  59          1HB       LEU  59  -1.818   0.660   3.249
  448    HG   LEU  59           HG       LEU  59  -2.586   2.365   0.871
  449   1HD1  LEU  59          1HD1      LEU  59  -3.757  -0.213   1.917
  450   2HD1  LEU  59          2HD1      LEU  59  -2.827  -0.014   0.431
  451   3HD1  LEU  59          3HD1      LEU  59  -4.407   0.753   0.591
  452   1HD2  LEU  59          1HD2      LEU  59  -4.701   2.725   2.053
  453   2HD2  LEU  59          2HD2      LEU  59  -3.336   3.390   2.948
  454   3HD2  LEU  59          3HD2      LEU  59  -4.067   1.864   3.457
  455    H    ALA  60           H        ALA  60  -0.234   3.143   5.476
  456    HA   ALA  60           HA       ALA  60   2.185   1.448   5.534
  457   1HB   ALA  60          1HB       ALA  60   3.165   3.027   7.116
  458   2HB   ALA  60          2HB       ALA  60   1.709   4.021   7.048
  459   3HB   ALA  60          3HB       ALA  60   2.720   3.841   5.615
  460    H    VAL  61           H        VAL  61   1.898  -0.295   6.760
  461    HA   VAL  61           HA       VAL  61   0.200  -0.103   9.180
  462    HB   VAL  61           HB       VAL  61   0.342  -2.491   7.314
  463   1HG1  VAL  61          1HG1      VAL  61  -1.552  -3.341   8.649
  464   2HG1  VAL  61          2HG1      VAL  61  -1.393  -1.958   9.732
  465   3HG1  VAL  61          3HG1      VAL  61  -0.089  -3.141   9.613
  466   1HG2  VAL  61          1HG2      VAL  61  -0.836  -0.646   6.237
  467   2HG2  VAL  61          2HG2      VAL  61  -1.873  -0.460   7.652
  468   3HG2  VAL  61          3HG2      VAL  61  -1.964  -1.928   6.677
  469    H    GLU  62           H        GLU  62   0.939  -1.140  11.007
  470    HA   GLU  62           HA       GLU  62   3.656  -1.967  11.173
  471   1HB   GLU  62          2HB       GLU  62   1.333  -2.179  13.098
  472   2HB   GLU  62          1HB       GLU  62   2.942  -2.757  13.499
  473   1HG   GLU  62          2HG       GLU  62   2.672  -0.603  14.468
  474   2HG   GLU  62          1HG       GLU  62   3.805  -0.450  13.133
  475    H    ALA  63           H        ALA  63   4.560  -3.996  11.092
  476    HA   ALA  63           HA       ALA  63   2.986  -6.050   9.817
  477   1HB   ALA  63          1HB       ALA  63   5.890  -6.079  10.633
  478   2HB   ALA  63          2HB       ALA  63   5.260  -5.534   9.079
  479   3HB   ALA  63          3HB       ALA  63   5.102  -7.225   9.550
  480    H    GLU  64           H        GLU  64   2.368  -5.524  12.705
  481    HA   GLU  64           HA       GLU  64   3.158  -7.924  14.085
  482   1HB   GLU  64          2HB       GLU  64   1.603  -5.523  14.745
  483   2HB   GLU  64          1HB       GLU  64   0.974  -6.984  15.489
  484   1HG   GLU  64          2HG       GLU  64   2.555  -5.792  16.938
  485   2HG   GLU  64          1HG       GLU  64   3.094  -7.424  16.549
  486    HA   PRO  65           HA       PRO  65  -1.242  -9.475  12.643
  487   1HB   PRO  65          2HB       PRO  65  -1.780  -7.735  10.314
  488   2HB   PRO  65          1HB       PRO  65  -2.869  -8.237  11.610
  489   1HG   PRO  65          2HG       PRO  65  -1.976  -5.718  11.443
  490   2HG   PRO  65          1HG       PRO  65  -2.212  -6.511  13.013
  491   1HD   PRO  65          2HD       PRO  65   0.336  -6.092  11.468
  492   2HD   PRO  65          1HD       PRO  65   0.021  -5.849  13.201
  493    H    LEU  66           H        LEU  66   1.478  -9.884  11.891
  494    HA   LEU  66           HA       LEU  66   2.009 -10.039   9.146
  495   1HB   LEU  66          2HB       LEU  66   3.694 -10.032  10.948
  496   2HB   LEU  66          1HB       LEU  66   3.176 -11.633  11.434
  497    HG   LEU  66           HG       LEU  66   3.920 -12.497   9.209
  498   1HD1  LEU  66          1HD1      LEU  66   5.054  -9.720   8.892
  499   2HD1  LEU  66          2HD1      LEU  66   3.761 -10.436   7.930
  500   3HD1  LEU  66          3HD1      LEU  66   5.392 -11.098   7.844
  501   1HD2  LEU  66          1HD2      LEU  66   6.049 -11.080  10.816
  502   2HD2  LEU  66          2HD2      LEU  66   6.300 -12.439   9.720
  503   3HD2  LEU  66          3HD2      LEU  66   5.355 -12.658  11.192
  504    H    GLY  67           H        GLY  67   0.697 -12.454  11.391
  505   1HA   GLY  67          2HA       GLY  67  -0.196 -14.546  11.059
  506   2HA   GLY  67          1HA       GLY  67  -0.591 -14.005   9.433
  507    H    GLU  68           H        GLU  68   0.295 -15.189   7.856
  508    HA   GLU  68           HA       GLU  68   3.096 -15.960   8.006
  509   1HB   GLU  68          2HB       GLU  68   1.853 -17.842   9.065
  510   2HB   GLU  68          1HB       GLU  68   0.941 -18.051   7.577
  511   1HG   GLU  68          2HG       GLU  68   2.898 -18.733   6.385
  512   2HG   GLU  68          1HG       GLU  68   3.942 -18.292   7.734
  513    H    ASP  69           H        ASP  69   0.911 -14.416   6.355
  514    HA   ASP  69           HA       ASP  69   1.385 -15.639   3.724
  515   1HB   ASP  69          2HB       ASP  69  -0.629 -13.538   4.541
  516   2HB   ASP  69          1HB       ASP  69  -0.514 -14.300   2.955
  517    H    LEU  70           H        LEU  70   2.064 -12.709   5.543
  518    HA   LEU  70           HA       LEU  70   2.866 -11.158   3.281
  519   1HB   LEU  70          2HB       LEU  70   2.302 -10.140   5.475
  520   2HB   LEU  70          1HB       LEU  70   3.761 -10.846   6.148
  521    HG   LEU  70           HG       LEU  70   5.091  -9.525   4.464
  522   1HD1  LEU  70          1HD1      LEU  70   3.997  -7.602   3.396
  523   2HD1  LEU  70          2HD1      LEU  70   2.433  -8.179   3.972
  524   3HD1  LEU  70          3HD1      LEU  70   3.353  -9.138   2.813
  525   1HD2  LEU  70          1HD2      LEU  70   4.907  -8.771   6.763
  526   2HD2  LEU  70          2HD2      LEU  70   3.386  -7.956   6.399
  527   3HD2  LEU  70          3HD2      LEU  70   4.887  -7.393   5.664
  528    H    LYS  71           H        LYS  71   4.280 -12.150   1.984
  529    HA   LYS  71           HA       LYS  71   6.691 -13.384   3.127
  530   1HB   LYS  71          2HB       LYS  71   5.296 -14.804   1.685
  531   2HB   LYS  71          1HB       LYS  71   5.470 -13.650   0.369
  532   1HG   LYS  71          2HG       LYS  71   7.949 -14.068   0.465
  533   2HG   LYS  71          1HG       LYS  71   7.613 -15.384   1.594
  534   1HD   LYS  71          2HD       LYS  71   6.500 -15.150  -1.210
  535   2HD   LYS  71          1HD       LYS  71   7.871 -16.158  -0.742
  536   1HE   LYS  71          2HE       LYS  71   6.446 -17.487   0.702
  537   2HE   LYS  71          1HE       LYS  71   5.072 -16.429   0.367
  538   1HZ   LYS  71          1HZ       LYS  71   6.497 -18.044  -1.679
  539   2HZ   LYS  71          2HZ       LYS  71   5.112 -17.108  -1.923
  540   3HZ   LYS  71          3HZ       LYS  71   5.036 -18.486  -0.952
  541    H    TRP  72           H        TRP  72   8.165 -11.736   3.365
  542    HA   TRP  72           HA       TRP  72   8.757  -9.807   1.336
  543   1HB   TRP  72          2HB       TRP  72  10.500 -10.811   3.611
  544   2HB   TRP  72          1HB       TRP  72  10.810  -9.376   2.642
  545    HD1  TRP  72           HD1      TRP  72   8.060 -10.687   5.068
  546    HE1  TRP  72           HE1      TRP  72   7.103  -8.662   6.334
  547    HE3  TRP  72           HE3      TRP  72  10.677  -6.959   2.736
  548    HZ2  TRP  72           HZ2      TRP  72   7.413  -5.858   6.347
  549    HZ3  TRP  72           HZ3      TRP  72  10.287  -4.632   3.442
  550    HH2  TRP  72           HH2      TRP  72   8.687  -4.095   5.209
  551    H    GLU  73           H        GLU  73   9.278 -10.608  -0.645
  552    HA   GLU  73           HA       GLU  73  11.356 -12.689  -0.843
  553   1HB   GLU  73          2HB       GLU  73   9.108 -13.765  -0.820
  554   2HB   GLU  73          1HB       GLU  73   8.665 -12.821  -2.232
  555   1HG   GLU  73          2HG       GLU  73   9.229 -15.040  -2.922
  556   2HG   GLU  73          1HG       GLU  73  10.475 -13.937  -3.501
  557    H    ALA  74           H        ALA  74  12.260 -12.924  -3.002
  558    HA   ALA  74           HA       ALA  74  12.149 -10.432  -4.575
  559   1HB   ALA  74          1HB       ALA  74  14.275 -11.181  -5.556
  560   2HB   ALA  74          2HB       ALA  74  14.196 -12.657  -4.593
  561   3HB   ALA  74          3HB       ALA  74  14.364 -11.092  -3.797
  562    H    SER  75           H        SER  75  12.732 -10.978  -7.044
  563    HA   SER  75           HA       SER  75  11.100 -13.258  -7.963
  564   1HB   SER  75          2HB       SER  75  10.059 -11.848  -9.700
  565   2HB   SER  75          1HB       SER  75   9.686 -11.241  -8.088
  566    HG   SER  75           HG       SER  75  10.290  -9.500  -9.321
  567    H    ARG  76           H        ARG  76  12.921 -10.587  -9.495
  568    HA   ARG  76           HA       ARG  76  14.298 -12.598 -11.159
  569   1HB   ARG  76          2HB       ARG  76  13.782  -9.657 -11.640
  570   2HB   ARG  76          1HB       ARG  76  14.771 -10.663 -12.691
  571   1HG   ARG  76          2HG       ARG  76  11.835 -11.033 -12.107
  572   2HG   ARG  76          1HG       ARG  76  12.541 -10.413 -13.601
  573   1HD   ARG  76          2HD       ARG  76  12.888 -13.190 -12.460
  574   2HD   ARG  76          1HD       ARG  76  11.928 -12.746 -13.871
  575    HE   ARG  76           HE       ARG  76  14.480 -11.875 -14.412
  576   1HH1  ARG  76          1HH1      ARG  76  13.026 -14.921 -13.680
  577   2HH1  ARG  76          2HH1      ARG  76  14.173 -15.809 -14.619
  578   1HH2  ARG  76          1HH2      ARG  76  15.951 -13.041 -15.581
  579   2HH2  ARG  76          2HH2      ARG  76  15.806 -14.762 -15.668
  580    H    GLY  77           H        GLY  77  15.098  -9.322  -9.943
  581   1HA   GLY  77          2HA       GLY  77  17.923 -10.011  -9.896
  582   2HA   GLY  77          1HA       GLY  77  17.221  -8.441  -9.546
  583    H    GLY  78           H        GLY  78  17.086  -7.807  -7.457
  584   1HA   GLY  78          2HA       GLY  78  17.340  -9.872  -5.352
  585   2HA   GLY  78          1HA       GLY  78  18.405  -8.475  -5.355
  586    H    ALA  79           H        ALA  79  17.509  -8.195  -3.188
  587    HA   ALA  79           HA       ALA  79  16.329  -6.965  -1.702
  588   1HB   ALA  79          1HB       ALA  79  14.908  -5.807  -4.100
  589   2HB   ALA  79          2HB       ALA  79  16.377  -5.173  -3.355
  590   3HB   ALA  79          3HB       ALA  79  14.860  -5.170  -2.454
  591    H    ARG  80           H        ARG  80  14.509  -7.196  -0.429
  592    HA   ARG  80           HA       ARG  80  12.597  -9.227  -1.353
  593   1HB   ARG  80          2HB       ARG  80  13.343  -8.300   1.424
  594   2HB   ARG  80          1HB       ARG  80  12.006  -9.397   1.101
  595   1HG   ARG  80          2HG       ARG  80  13.634 -10.947   0.014
  596   2HG   ARG  80          1HG       ARG  80  14.929  -9.882   0.558
  597   1HD   ARG  80          2HD       ARG  80  14.348 -10.269   2.867
  598   2HD   ARG  80          1HD       ARG  80  12.919 -11.189   2.395
  599    HE   ARG  80           HE       ARG  80  15.452 -12.225   1.443
  600   1HH1  ARG  80          1HH1      ARG  80  13.056 -12.346   3.920
  601   2HH1  ARG  80          2HH1      ARG  80  13.502 -13.937   4.418
  602   1HH2  ARG  80          1HH2      ARG  80  16.002 -14.262   2.086
  603   2HH2  ARG  80          2HH2      ARG  80  15.158 -15.011   3.398
  604    H    PHE  81           H        PHE  81  10.723  -8.535  -2.099
  605    HA   PHE  81           HA       PHE  81   9.512  -6.074  -1.051
  606   1HB   PHE  81          2HB       PHE  81   8.731  -7.832  -3.399
  607   2HB   PHE  81          1HB       PHE  81   7.888  -6.362  -2.925
  608    HD1  PHE  81           HD1      PHE  81  11.004  -7.718  -4.350
  609    HD2  PHE  81           HD2      PHE  81   8.776  -4.194  -3.449
  610    HE1  PHE  81           HE1      PHE  81  12.522  -6.397  -5.766
  611    HE2  PHE  81           HE2      PHE  81  10.295  -2.873  -4.863
  612    HZ   PHE  81           HZ       PHE  81  12.169  -3.974  -6.023
  613    HA   PRO  82           HA       PRO  82   6.882  -8.568   1.594
  614   1HB   PRO  82          2HB       PRO  82   5.095  -6.605   2.277
  615   2HB   PRO  82          1HB       PRO  82   6.695  -6.775   3.010
  616   1HG   PRO  82          2HG       PRO  82   5.795  -4.931   0.826
  617   2HG   PRO  82          1HG       PRO  82   6.864  -4.600   2.202
  618   1HD   PRO  82          2HD       PRO  82   7.809  -5.052  -0.294
  619   2HD   PRO  82          1HD       PRO  82   8.702  -5.533   1.162
  620    H    HIS  83           H        HIS  83   5.829 -10.016   0.292
  621    HA   HIS  83           HA       HIS  83   3.617  -9.108  -1.409
  622   1HB   HIS  83          2HB       HIS  83   4.927 -11.827  -1.132
  623   2HB   HIS  83          1HB       HIS  83   3.634 -11.442  -2.264
  624    HD1  HIS  83           HD1      HIS  83   7.293 -11.010  -1.706
  625    HD2  HIS  83           HD2      HIS  83   4.419  -9.888  -4.485
  626    HE1  HIS  83           HE1      HIS  83   8.571 -10.201  -3.709
  627    HE2  HIS  83           HE2      HIS  83   6.815  -9.677  -5.429
  628    H    LEU  84           H        LEU  84   1.510 -10.122  -1.270
  629    HA   LEU  84           HA       LEU  84   0.928 -11.381   1.335
  630   1HB   LEU  84          2HB       LEU  84  -0.310  -8.964   0.115
  631   2HB   LEU  84          1HB       LEU  84  -1.372 -10.062   0.971
  632    HG   LEU  84           HG       LEU  84   1.068  -8.736   2.171
  633   1HD1  LEU  84          1HD1      LEU  84  -1.869  -8.124   2.541
  634   2HD1  LEU  84          2HD1      LEU  84  -0.702  -7.119   1.679
  635   3HD1  LEU  84          3HD1      LEU  84  -0.535  -7.370   3.416
  636   1HD2  LEU  84          1HD2      LEU  84  -1.109 -10.423   3.421
  637   2HD2  LEU  84          2HD2      LEU  84   0.168  -9.576   4.298
  638   3HD2  LEU  84          3HD2      LEU  84   0.578 -10.890   3.198
  639    H    TYR  85           H        TYR  85  -0.587 -12.957   1.389
  640    HA   TYR  85           HA       TYR  85  -1.993 -13.628  -1.124
  641   1HB   TYR  85          2HB       TYR  85  -1.297 -15.447   1.207
  642   2HB   TYR  85          1HB       TYR  85  -2.127 -15.937  -0.268
  643    HD1  TYR  85           HD2      TYR  85  -0.893 -16.003  -2.428
  644    HD2  TYR  85           HD1      TYR  85   1.100 -15.150   1.244
  645    HE1  TYR  85           HE2      TYR  85   1.276 -16.442  -3.504
  646    HE2  TYR  85           HE1      TYR  85   3.272 -15.586   0.172
  647    HH   TYR  85           HH       TYR  85   3.597 -15.971  -3.246
  648    H    ARG  86           H        ARG  86  -2.500 -11.910   1.468
  649    HA   ARG  86           HA       ARG  86  -5.301 -12.765   1.897
  650   1HB   ARG  86          2HB       ARG  86  -3.549 -11.114   3.744
  651   2HB   ARG  86          1HB       ARG  86  -5.202 -11.608   4.063
  652   1HG   ARG  86          2HG       ARG  86  -2.904 -13.530   3.744
  653   2HG   ARG  86          1HG       ARG  86  -3.451 -12.888   5.291
  654   1HD   ARG  86          2HD       ARG  86  -4.504 -14.960   5.143
  655   2HD   ARG  86          1HD       ARG  86  -5.754 -13.824   4.646
  656    HE   ARG  86           HE       ARG  86  -4.918 -14.475   2.285
  657   1HH1  ARG  86          1HH1      ARG  86  -5.087 -16.568   5.005
  658   2HH1  ARG  86          2HH1      ARG  86  -5.359 -17.979   4.047
  659   1HH2  ARG  86          1HH2      ARG  86  -5.264 -16.297   1.051
  660   2HH2  ARG  86          2HH2      ARG  86  -5.458 -17.827   1.832
  661    HA   PRO  87           HA       PRO  87  -6.214  -8.725   0.068
  662   1HB   PRO  87          2HB       PRO  87  -8.937  -9.070   1.123
  663   2HB   PRO  87          1HB       PRO  87  -8.391  -8.923  -0.553
  664   1HG   PRO  87          2HG       PRO  87  -9.313 -11.259   0.460
  665   2HG   PRO  87          1HG       PRO  87  -8.044 -11.197  -0.777
  666   1HD   PRO  87          2HD       PRO  87  -7.779 -11.630   2.184
  667   2HD   PRO  87          1HD       PRO  87  -6.937 -12.444   0.845
  668    H    LEU  88           H        LEU  88  -6.224  -6.662   0.902
  669    HA   LEU  88           HA       LEU  88  -5.629  -6.527   3.718
  670   1HB   LEU  88          2HB       LEU  88  -4.255  -5.335   2.075
  671   2HB   LEU  88          1HB       LEU  88  -5.634  -4.353   1.619
  672    HG   LEU  88           HG       LEU  88  -5.681  -3.380   3.896
  673   1HD1  LEU  88          1HD1      LEU  88  -4.714  -5.232   5.143
  674   2HD1  LEU  88          2HD1      LEU  88  -3.803  -3.748   5.421
  675   3HD1  LEU  88          3HD1      LEU  88  -3.163  -4.985   4.338
  676   1HD2  LEU  88          1HD2      LEU  88  -3.011  -3.158   2.499
  677   2HD2  LEU  88          2HD2      LEU  88  -3.661  -2.009   3.669
  678   3HD2  LEU  88          3HD2      LEU  88  -4.466  -2.237   2.117
  679    H    LEU  89           H        LEU  89  -7.411  -6.668   4.976
  680    HA   LEU  89           HA       LEU  89  -9.865  -5.349   4.548
  681   1HB   LEU  89          2HB       LEU  89  -8.630  -6.119   7.202
  682   2HB   LEU  89          1HB       LEU  89 -10.331  -5.819   6.892
  683    HG   LEU  89           HG       LEU  89  -8.705  -8.121   5.793
  684   1HD1  LEU  89          1HD1      LEU  89  -9.189  -8.370   8.155
  685   2HD1  LEU  89          2HD1      LEU  89 -10.149  -9.506   7.209
  686   3HD1  LEU  89          3HD1      LEU  89 -10.898  -8.049   7.862
  687   1HD2  LEU  89          1HD2      LEU  89 -11.636  -7.482   5.438
  688   2HD2  LEU  89          2HD2      LEU  89 -10.822  -8.948   4.891
  689   3HD2  LEU  89          3HD2      LEU  89 -10.391  -7.389   4.189
  690    H    VAL  90           H        VAL  90 -10.304  -3.220   4.604
  691    HA   VAL  90           HA       VAL  90  -8.433  -1.228   5.096
  692    HB   VAL  90           HB       VAL  90 -11.449  -0.992   5.290
  693   1HG1  VAL  90          1HG1      VAL  90  -9.349   1.147   4.897
  694   2HG1  VAL  90          2HG1      VAL  90 -10.396   0.944   6.302
  695   3HG1  VAL  90          3HG1      VAL  90 -11.089   1.391   4.743
  696   1HG2  VAL  90          1HG2      VAL  90  -9.583  -0.579   2.948
  697   2HG2  VAL  90          2HG2      VAL  90 -11.316  -0.253   2.947
  698   3HG2  VAL  90          3HG2      VAL  90 -10.730  -1.904   3.150
  699    H    SER  91           H        SER  91 -10.745  -2.682   7.320
  700    HA   SER  91           HA       SER  91 -10.440  -0.974   9.521
  701   1HB   SER  91          2HB       SER  91 -12.223  -2.591   9.499
  702   2HB   SER  91          1HB       SER  91 -11.083  -3.930   9.399
  703    HG   SER  91           HG       SER  91 -11.238  -3.943  11.485
  704    H    GLU  92           H        GLU  92  -8.317  -3.521   8.370
  705    HA   GLU  92           HA       GLU  92  -6.843  -3.747  10.846
  706   1HB   GLU  92          2HB       GLU  92  -7.143  -5.631   9.198
  707   2HB   GLU  92          1HB       GLU  92  -6.063  -4.777   8.107
  708   1HG   GLU  92          2HG       GLU  92  -4.788  -6.450   9.205
  709   2HG   GLU  92          1HG       GLU  92  -4.298  -4.897   9.877
  710    H    VAL  93           H        VAL  93  -6.712  -1.700   8.081
  711    HA   VAL  93           HA       VAL  93  -3.942  -1.104   8.023
  712    HB   VAL  93           HB       VAL  93  -6.253   0.654   7.160
  713   1HG1  VAL  93          1HG1      VAL  93  -3.343   0.722   6.337
  714   2HG1  VAL  93          2HG1      VAL  93  -4.157   1.904   7.363
  715   3HG1  VAL  93          3HG1      VAL  93  -4.630   1.731   5.674
  716   1HG2  VAL  93          1HG2      VAL  93  -6.362  -1.516   6.079
  717   2HG2  VAL  93          2HG2      VAL  93  -4.666  -1.397   5.609
  718   3HG2  VAL  93          3HG2      VAL  93  -5.853  -0.291   4.916
  719    H    THR  94           H        THR  94  -2.710   0.085   9.382
  720    HA   THR  94           HA       THR  94  -3.870   1.293  11.695
  721    HB   THR  94           HB       THR  94  -1.546   1.780  12.323
  722    HG1  THR  94           HG1      THR  94   0.142   1.321  10.957
  723   1HG2  THR  94          1HG2      THR  94  -2.457  -0.418  12.854
  724   2HG2  THR  94          2HG2      THR  94  -0.745  -0.552  12.450
  725   3HG2  THR  94          3HG2      THR  94  -1.970  -1.017  11.268
  726    H    ARG  95           H        ARG  95  -1.734   2.669   9.104
  727    HA   ARG  95           HA       ARG  95  -3.197   5.219   9.489
  728   1HB   ARG  95          2HB       ARG  95  -1.194   6.507   9.416
  729   2HB   ARG  95          1HB       ARG  95  -0.930   5.232  10.599
  730   1HG   ARG  95          2HG       ARG  95   0.292   3.945   8.864
  731   2HG   ARG  95          1HG       ARG  95   0.108   5.315   7.771
  732   1HD   ARG  95          2HD       ARG  95   2.293   5.425   8.750
  733   2HD   ARG  95          1HD       ARG  95   1.318   6.728   9.427
  734    HE   ARG  95           HE       ARG  95   1.657   5.812  11.480
  735   1HH1  ARG  95          1HH1      ARG  95   1.999   3.282   9.155
  736   2HH1  ARG  95          2HH1      ARG  95   2.509   2.127  10.339
  737   1HH2  ARG  95          1HH2      ARG  95   2.367   4.301  12.966
  738   2HH2  ARG  95          2HH2      ARG  95   2.694   2.686  12.434
  739    H    GLU  96           H        GLU  96  -3.564   6.470   7.679
  740    HA   GLU  96           HA       GLU  96  -2.631   5.416   5.081
  741   1HB   GLU  96          2HB       GLU  96  -4.782   6.330   4.128
  742   2HB   GLU  96          1HB       GLU  96  -4.967   4.945   5.194
  743   1HG   GLU  96          2HG       GLU  96  -5.709   6.365   6.999
  744   2HG   GLU  96          1HG       GLU  96  -5.385   7.809   6.043
  745    H    ALA  97           H        ALA  97  -0.957   6.789   4.644
  746    HA   ALA  97           HA       ALA  97  -1.138   9.616   5.278
  747   1HB   ALA  97          1HB       ALA  97   0.963   8.391   5.620
  748   2HB   ALA  97          2HB       ALA  97   1.166   9.748   4.513
  749   3HB   ALA  97          3HB       ALA  97   1.074   8.104   3.885
  750    H    ASP  98           H        ASP  98  -2.012  11.079   3.948
  751    HA   ASP  98           HA       ASP  98  -2.555  10.409   1.177
  752   1HB   ASP  98          2HB       ASP  98  -4.157  11.605   2.782
  753   2HB   ASP  98          1HB       ASP  98  -3.158  13.034   2.545
  754    H    LEU  99           H        LEU  99  -0.919  10.628  -0.223
  755    HA   LEU  99           HA       LEU  99   1.272  12.445   0.292
  756   1HB   LEU  99          2HB       LEU  99   0.831  10.545  -2.015
  757   2HB   LEU  99          1HB       LEU  99   2.329  11.383  -1.648
  758    HG   LEU  99           HG       LEU  99   1.019   9.320   0.141
  759   1HD1  LEU  99          1HD1      LEU  99   3.438   9.056  -1.646
  760   2HD1  LEU  99          2HD1      LEU  99   1.859   8.327  -1.936
  761   3HD1  LEU  99          3HD1      LEU  99   2.818   7.828  -0.542
  762   1HD2  LEU  99          1HD2      LEU  99   3.723  10.657   0.332
  763   2HD2  LEU  99          2HD2      LEU  99   3.122   9.377   1.387
  764   3HD2  LEU  99          3HD2      LEU  99   2.342  10.957   1.389
  765    H    ASP 100           H        ASP 100   0.769  14.529  -0.106
  766    HA   ASP 100           HA       ASP 100  -0.349  15.320  -2.685
  767   1HB   ASP 100          2HB       ASP 100  -1.064  16.473  -0.596
  768   2HB   ASP 100          1HB       ASP 100   0.589  17.031  -0.359
  769    H    LEU 101           H        LEU 101   0.810  16.440  -4.279
  770    HA   LEU 101           HA       LEU 101   3.600  15.776  -4.401
  771   1HB   LEU 101          2HB       LEU 101   1.953  17.438  -6.309
  772   2HB   LEU 101          1HB       LEU 101   3.546  16.781  -6.633
  773    HG   LEU 101           HG       LEU 101   0.975  15.238  -6.285
  774   1HD1  LEU 101          1HD1      LEU 101   1.423  14.515  -8.578
  775   2HD1  LEU 101          2HD1      LEU 101   2.859  15.541  -8.621
  776   3HD1  LEU 101          3HD1      LEU 101   1.259  16.267  -8.465
  777   1HD2  LEU 101          1HD2      LEU 101   2.304  13.212  -6.682
  778   2HD2  LEU 101          2HD2      LEU 101   2.760  14.009  -5.178
  779   3HD2  LEU 101          3HD2      LEU 101   3.784  14.170  -6.607
  780    H    ASP 102           H        ASP 102   5.291  16.957  -3.814
  781    HA   ASP 102           HA       ASP 102   5.133  19.896  -3.910
  782   1HB   ASP 102          2HB       ASP 102   6.093  18.197  -1.610
  783   2HB   ASP 102          1HB       ASP 102   6.703  19.832  -1.841
  784    H    ALA 103           H        ALA 103   7.299  20.931  -3.868
  785    HA   ALA 103           HA       ALA 103   9.393  21.286  -4.657
  786   1HB   ALA 103          1HB       ALA 103   9.961  19.791  -2.801
  787   2HB   ALA 103          2HB       ALA 103  11.090  19.620  -4.146
  788   3HB   ALA 103          3HB       ALA 103   9.840  18.404  -3.886
  789    H    ASP 104           H        ASP 104   9.344  17.878  -5.651
  790    HA   ASP 104           HA       ASP 104  10.038  18.743  -8.376
  791   1HB   ASP 104          2HB       ASP 104  10.303  15.981  -7.164
  792   2HB   ASP 104          1HB       ASP 104  11.013  16.554  -8.672
  793    H    GLY 105           H        GLY 105   7.263  18.083  -6.874
  794   1HA   GLY 105          2HA       GLY 105   5.184  17.390  -7.624
  795   2HA   GLY 105          1HA       GLY 105   5.901  17.061  -9.194
  796    H    VAL 106           H        VAL 106   7.310  15.673  -6.373
  797    HA   VAL 106           HA       VAL 106   6.216  13.006  -7.039
  798    HB   VAL 106           HB       VAL 106   9.046  13.695  -6.169
  799   1HG1  VAL 106          1HG1      VAL 106   8.376  11.580  -5.190
  800   2HG1  VAL 106          2HG1      VAL 106   9.532  11.295  -6.491
  801   3HG1  VAL 106          3HG1      VAL 106   7.813  10.997  -6.758
  802   1HG2  VAL 106          1HG2      VAL 106   8.615  14.243  -8.512
  803   2HG2  VAL 106          2HG2      VAL 106   8.026  12.604  -8.798
  804   3HG2  VAL 106          3HG2      VAL 106   9.720  12.873  -8.377
  805    HA   PRO 107           HA       PRO 107   4.783  12.917  -2.789
  806   1HB   PRO 107          2HB       PRO 107   5.398   9.998  -3.007
  807   2HB   PRO 107          1HB       PRO 107   3.913  10.803  -2.480
  808   1HG   PRO 107          2HG       PRO 107   4.045   9.696  -4.889
  809   2HG   PRO 107          1HG       PRO 107   3.231  11.255  -4.662
  810   1HD   PRO 107          2HD       PRO 107   5.938  10.678  -5.807
  811   2HD   PRO 107          1HD       PRO 107   4.730  11.877  -6.318
  812    H    GLN 108           H        GLN 108   6.066  13.672  -1.199
  813    HA   GLN 108           HA       GLN 108   8.777  12.837  -0.808
  814   1HB   GLN 108          2HB       GLN 108   6.943  14.636   0.786
  815   2HB   GLN 108          1HB       GLN 108   8.602  14.310   1.262
  816   1HG   GLN 108          2HG       GLN 108   8.500  16.414   0.126
  817   2HG   GLN 108          1HG       GLN 108   9.376  15.262  -0.878
  818   1HE2  GLN 108          1HE2      GLN 108   8.991  16.406  -2.740
  819   2HE2  GLN 108          2HE2      GLN 108   7.440  16.469  -3.486
  820    H    LEU 109           H        LEU 109   8.891  10.652  -0.210
  821    HA   LEU 109           HA       LEU 109   7.606   9.911   2.332
  822   1HB   LEU 109          2HB       LEU 109   8.912   8.258   0.185
  823   2HB   LEU 109          1HB       LEU 109   8.611   7.603   1.779
  824    HG   LEU 109           HG       LEU 109   6.200   7.995   1.506
  825   1HD1  LEU 109          1HD1      LEU 109   6.917   8.929  -1.269
  826   2HD1  LEU 109          2HD1      LEU 109   6.262   9.919   0.038
  827   3HD1  LEU 109          3HD1      LEU 109   5.285   8.632  -0.668
  828   1HD2  LEU 109          1HD2      LEU 109   7.162   5.842   0.861
  829   2HD2  LEU 109          2HD2      LEU 109   7.411   6.440  -0.781
  830   3HD2  LEU 109          3HD2      LEU 109   5.774   6.259  -0.144
  831    H    GLY 110           H        GLY 110  10.825  10.207   0.863
  832   1HA   GLY 110          2HA       GLY 110  12.433   9.065   2.779
  833   2HA   GLY 110          1HA       GLY 110  12.899  10.465   1.830
  834    H    ASP 111           H        ASP 111  11.158  12.383   2.840
  835    HA   ASP 111           HA       ASP 111  12.278  12.848   5.487
  836   1HB   ASP 111          2HB       ASP 111  11.183  15.116   5.189
  837   2HB   ASP 111          1HB       ASP 111  12.424  14.705   4.007
  838    H    HIS 112           H        HIS 112   9.160  12.066   4.059
  839    HA   HIS 112           HA       HIS 112   7.517  12.828   6.237
  840   1HB   HIS 112          2HB       HIS 112   6.558  12.461   4.054
  841   2HB   HIS 112          1HB       HIS 112   7.105  10.789   4.040
  842    HD1  HIS 112           HD1      HIS 112   4.582  13.029   5.751
  843    HD2  HIS 112           HD2      HIS 112   5.362   8.992   5.164
  844    HE1  HIS 112           HE1      HIS 112   2.572  11.824   6.636
  845    HE2  HIS 112           HE2      HIS 112   3.165   9.390   6.472
  846    H    LEU 113           H        LEU 113   9.348   9.897   5.580
  847    HA   LEU 113           HA       LEU 113   8.055   8.390   7.681
  848   1HB   LEU 113          2HB       LEU 113  10.574   7.720   6.157
  849   2HB   LEU 113          1HB       LEU 113   9.628   6.622   7.145
  850    HG   LEU 113           HG       LEU 113   8.769   7.882   4.533
  851   1HD1  LEU 113          1HD1      LEU 113   9.362   5.012   5.268
  852   2HD1  LEU 113          2HD1      LEU 113  10.347   6.056   4.243
  853   3HD1  LEU 113          3HD1      LEU 113   8.737   5.568   3.715
  854   1HD2  LEU 113          1HD2      LEU 113   6.864   7.744   6.033
  855   2HD2  LEU 113          2HD2      LEU 113   7.227   6.053   6.377
  856   3HD2  LEU 113          3HD2      LEU 113   6.724   6.534   4.756
  857    H    ALA 114           H        ALA 114   9.334   7.368   9.427
  858    HA   ALA 114           HA       ALA 114  10.889   9.443  10.784
  859   1HB   ALA 114          1HB       ALA 114  10.396   8.239  12.839
  860   2HB   ALA 114          2HB       ALA 114   9.651   6.933  11.917
  861   3HB   ALA 114          3HB       ALA 114   8.917   8.536  11.925
  862    H    LEU 115           H        LEU 115  11.076   5.887  10.991
  863    HA   LEU 115           HA       LEU 115  12.801   4.444  11.194
  864   1HB   LEU 115          2HB       LEU 115  13.324   5.131   8.901
  865   2HB   LEU 115          1HB       LEU 115  14.289   6.464   9.508
  866    HG   LEU 115           HG       LEU 115  15.862   4.849  10.533
  867   1HD1  LEU 115          1HD1      LEU 115  15.725   2.470   9.940
  868   2HD1  LEU 115          2HD1      LEU 115  14.158   2.755   9.180
  869   3HD1  LEU 115          3HD1      LEU 115  14.352   2.989  10.917
  870   1HD2  LEU 115          1HD2      LEU 115  15.393   4.409   7.580
  871   2HD2  LEU 115          2HD2      LEU 115  16.884   4.055   8.455
  872   3HD2  LEU 115          3HD2      LEU 115  16.326   5.720   8.304
  873    H    GLU 116           H        GLU 116  13.389   4.308  13.264
  874    HA   GLU 116           HA       GLU 116  14.496   6.475  14.740
  875   1HB   GLU 116          2HB       GLU 116  13.071   4.672  15.718
  876   2HB   GLU 116          1HB       GLU 116  14.408   3.546  15.507
  877   1HG   GLU 116          2HG       GLU 116  15.782   4.877  17.015
  878   2HG   GLU 116          1HG       GLU 116  14.469   6.035  17.208
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1   7.337  -4.370  14.264
    2   2H    MET   1          2H        MET   1   6.540  -2.881  14.362
    3   3H    MET   1          3H        MET   1   7.201  -3.575  15.752
    4    HA   MET   1           HA       MET   1   8.579  -1.771  14.971
    5   1HB   MET   1          2HB       MET   1   9.841  -4.492  14.532
    6   2HB   MET   1          1HB       MET   1  10.719  -2.998  14.829
    7   1HG   MET   1          2HG       MET   1   9.705  -2.828  17.043
    8   2HG   MET   1          1HG       MET   1   8.797  -4.309  16.745
    9   1HE   MET   1          1HE       MET   1  12.347  -2.726  17.309
   10   2HE   MET   1          2HE       MET   1  12.537  -3.498  15.735
   11   3HE   MET   1          3HE       MET   1  13.401  -4.131  17.136
   12    H    THR   2           H        THR   2   8.744  -4.441  12.559
   13    HA   THR   2           HA       THR   2   9.920  -2.799  10.545
   14    HB   THR   2           HB       THR   2   8.461  -5.431  10.169
   15    HG1  THR   2           HG1      THR   2  10.394  -6.405  10.598
   16   1HG2  THR   2          1HG2      THR   2   9.867  -5.665   8.170
   17   2HG2  THR   2          2HG2      THR   2  10.576  -4.079   8.474
   18   3HG2  THR   2          3HG2      THR   2   8.866  -4.216   8.066
   19    H    LEU   3           H        LEU   3   8.983  -1.427   9.136
   20    HA   LEU   3           HA       LEU   3   6.044  -1.503   8.836
   21   1HB   LEU   3          2HB       LEU   3   7.945   0.825   8.494
   22   2HB   LEU   3          1HB       LEU   3   6.212   0.893   8.235
   23    HG   LEU   3           HG       LEU   3   7.588   0.364  10.878
   24   1HD1  LEU   3          1HD1      LEU   3   6.695   2.554  11.523
   25   2HD1  LEU   3          2HD1      LEU   3   6.079   2.786   9.886
   26   3HD1  LEU   3          3HD1      LEU   3   7.817   2.678  10.168
   27   1HD2  LEU   3          1HD2      LEU   3   5.480  -0.841  10.750
   28   2HD2  LEU   3          2HD2      LEU   3   4.647   0.626  10.227
   29   3HD2  LEU   3          3HD2      LEU   3   5.335   0.530  11.849
   30    H    ILE   4           H        ILE   4   5.203  -1.902   6.875
   31    HA   ILE   4           HA       ILE   4   6.951  -1.649   4.507
   32    HB   ILE   4           HB       ILE   4   5.393  -3.315   3.414
   33   1HG1  ILE   4          2HG1      ILE   4   4.499  -3.761   6.281
   34   2HG1  ILE   4          1HG1      ILE   4   3.504  -3.104   4.988
   35   1HG2  ILE   4          1HG2      ILE   4   7.621  -3.932   4.193
   36   2HG2  ILE   4          2HG2      ILE   4   6.486  -5.260   4.436
   37   3HG2  ILE   4          3HG2      ILE   4   6.982  -4.263   5.804
   38   1HD1  ILE   4          1HD1      ILE   4   3.699  -5.240   3.784
   39   2HD1  ILE   4          2HD1      ILE   4   2.960  -5.416   5.375
   40   3HD1  ILE   4          3HD1      ILE   4   4.640  -5.888   5.130
   41    H    TYR   5           H        TYR   5   6.296  -0.415   2.833
   42    HA   TYR   5           HA       TYR   5   3.861   1.195   3.261
   43   1HB   TYR   5          2HB       TYR   5   6.466   1.845   1.857
   44   2HB   TYR   5          1HB       TYR   5   5.068   2.913   1.873
   45    HD1  TYR   5           HD1      TYR   5   7.426   1.160   4.201
   46    HD2  TYR   5           HD2      TYR   5   4.854   4.497   3.573
   47    HE1  TYR   5           HE1      TYR   5   8.206   2.157   6.310
   48    HE2  TYR   5           HE2      TYR   5   5.629   5.498   5.677
   49    HH   TYR   5           HH       TYR   5   8.350   4.316   7.380
   50    H    LYS   6           H        LYS   6   2.293   1.284   1.716
   51    HA   LYS   6           HA       LYS   6   2.900   0.183  -0.967
   52   1HB   LYS   6          2HB       LYS   6   1.294  -1.189   0.401
   53   2HB   LYS   6          1HB       LYS   6   0.192   0.181   0.393
   54   1HG   LYS   6          2HG       LYS   6   0.244   0.065  -2.132
   55   2HG   LYS   6          1HG       LYS   6   1.113  -1.461  -1.962
   56   1HD   LYS   6          2HD       LYS   6  -0.827  -2.256  -0.531
   57   2HD   LYS   6          1HD       LYS   6  -1.691  -0.810  -1.058
   58   1HE   LYS   6          2HE       LYS   6  -0.626  -3.014  -2.829
   59   2HE   LYS   6          1HE       LYS   6  -2.311  -2.723  -2.424
   60   1HZ   LYS   6          1HZ       LYS   6  -0.599  -0.814  -3.925
   61   2HZ   LYS   6          2HZ       LYS   6  -2.259  -0.668  -3.636
   62   3HZ   LYS   6          3HZ       LYS   6  -1.679  -1.905  -4.638
   63    H    ILE   7           H        ILE   7   2.759   1.631  -2.589
   64    HA   ILE   7           HA       ILE   7   1.342   4.159  -2.139
   65    HB   ILE   7           HB       ILE   7   3.070   3.350  -4.501
   66   1HG1  ILE   7          2HG1      ILE   7   4.668   5.078  -3.464
   67   2HG1  ILE   7          1HG1      ILE   7   3.696   4.953  -2.005
   68   1HG2  ILE   7          1HG2      ILE   7   1.419   5.038  -5.094
   69   2HG2  ILE   7          2HG2      ILE   7   3.034   5.745  -5.066
   70   3HG2  ILE   7          3HG2      ILE   7   1.920   6.037  -3.730
   71   1HD1  ILE   7          1HD1      ILE   7   5.691   3.586  -1.859
   72   2HD1  ILE   7          2HD1      ILE   7   5.219   2.710  -3.314
   73   3HD1  ILE   7          3HD1      ILE   7   4.246   2.576  -1.850
   74    H    LEU   8           H        LEU   8  -0.502   4.753  -3.241
   75    HA   LEU   8           HA       LEU   8  -1.498   3.162  -5.461
   76   1HB   LEU   8          2HB       LEU   8  -3.586   2.533  -4.403
   77   2HB   LEU   8          1HB       LEU   8  -2.234   1.860  -3.513
   78    HG   LEU   8           HG       LEU   8  -3.646   4.390  -2.643
   79   1HD1  LEU   8          1HD1      LEU   8  -4.216   1.562  -1.748
   80   2HD1  LEU   8          2HD1      LEU   8  -5.281   2.568  -2.729
   81   3HD1  LEU   8          3HD1      LEU   8  -4.917   3.031  -1.068
   82   1HD2  LEU   8          1HD2      LEU   8  -1.915   2.424  -1.131
   83   2HD2  LEU   8          2HD2      LEU   8  -2.655   3.887  -0.475
   84   3HD2  LEU   8          3HD2      LEU   8  -1.404   4.010  -1.710
   85    H    SER   9           H        SER   9  -3.769   3.990  -6.118
   86    HA   SER   9           HA       SER   9  -3.722   6.902  -6.149
   87   1HB   SER   9          2HB       SER   9  -4.253   5.800  -8.237
   88   2HB   SER   9          1HB       SER   9  -5.562   4.895  -7.479
   89    HG   SER   9           HG       SER   9  -5.907   7.057  -8.730
   90    H    ARG  10           H        ARG  10  -5.421   8.261  -5.426
   91    HA   ARG  10           HA       ARG  10  -6.649   7.615  -2.986
   92   1HB   ARG  10          2HB       ARG  10  -6.255   9.922  -4.332
   93   2HB   ARG  10          1HB       ARG  10  -7.955   9.683  -4.697
   94   1HG   ARG  10          2HG       ARG  10  -6.768   9.805  -1.921
   95   2HG   ARG  10          1HG       ARG  10  -7.580  11.134  -2.742
   96   1HD   ARG  10          2HD       ARG  10  -9.653   9.826  -2.811
   97   2HD   ARG  10          1HD       ARG  10  -8.837   8.487  -2.015
   98    HE   ARG  10           HE       ARG  10  -8.857   9.672  -0.014
   99   1HH1  ARG  10          1HH1      ARG  10 -10.285  11.520  -2.554
  100   2HH1  ARG  10          2HH1      ARG  10 -10.995  12.655  -1.458
  101   1HH2  ARG  10          1HH2      ARG  10  -9.776  11.148   1.362
  102   2HH2  ARG  10          2HH2      ARG  10 -10.710  12.452   0.715
  103    H    ALA  11           H        ALA  11  -7.778   7.310  -6.301
  104    HA   ALA  11           HA       ALA  11 -10.496   6.777  -5.844
  105   1HB   ALA  11          1HB       ALA  11 -10.500   5.753  -8.050
  106   2HB   ALA  11          2HB       ALA  11  -8.738   5.653  -8.029
  107   3HB   ALA  11          3HB       ALA  11  -9.532   7.227  -8.064
  108    H    GLU  12           H        GLU  12  -7.690   4.606  -5.843
  109    HA   GLU  12           HA       GLU  12  -9.049   2.163  -5.486
  110   1HB   GLU  12          2HB       GLU  12  -6.312   3.013  -4.498
  111   2HB   GLU  12          1HB       GLU  12  -6.896   1.357  -4.529
  112   1HG   GLU  12          2HG       GLU  12  -6.990   1.388  -6.944
  113   2HG   GLU  12          1HG       GLU  12  -6.535   3.095  -6.964
  114    H    TRP  13           H        TRP  13  -7.584   4.366  -3.112
  115    HA   TRP  13           HA       TRP  13  -8.122   2.816  -0.846
  116   1HB   TRP  13          2HB       TRP  13  -6.441   4.564  -0.839
  117   2HB   TRP  13          1HB       TRP  13  -7.676   5.796  -1.082
  118    HD1  TRP  13           HD1      TRP  13  -8.054   7.080   1.082
  119    HE1  TRP  13           HE1      TRP  13  -8.138   6.494   3.600
  120    HE3  TRP  13           HE3      TRP  13  -7.066   2.065   0.799
  121    HZ2  TRP  13           HZ2      TRP  13  -7.850   4.215   5.228
  122    HZ3  TRP  13           HZ3      TRP  13  -6.999   0.758   2.884
  123    HH2  TRP  13           HH2      TRP  13  -7.382   1.813   5.050
  124    H    ASP  14           H        ASP  14  -9.859   5.813  -1.852
  125    HA   ASP  14           HA       ASP  14 -11.799   5.600   0.168
  126   1HB   ASP  14          2HB       ASP  14 -11.496   7.235  -2.289
  127   2HB   ASP  14          1HB       ASP  14 -13.127   7.100  -1.634
  128    H    ALA  15           H        ALA  15 -11.767   4.199  -3.081
  129    HA   ALA  15           HA       ALA  15 -14.457   3.302  -3.086
  130   1HB   ALA  15          1HB       ALA  15 -13.062   3.319  -5.109
  131   2HB   ALA  15          2HB       ALA  15 -13.768   1.728  -4.814
  132   3HB   ALA  15          3HB       ALA  15 -12.070   2.028  -4.432
  133    H    ALA  16           H        ALA  16 -11.471   1.452  -2.373
  134    HA   ALA  16           HA       ALA  16 -12.751  -0.822  -1.318
  135   1HB   ALA  16          1HB       ALA  16 -10.570  -1.411  -0.390
  136   2HB   ALA  16          2HB       ALA  16  -9.988   0.225  -0.703
  137   3HB   ALA  16          3HB       ALA  16 -10.423  -0.827  -2.048
  138    H    LYS  17           H        LYS  17 -11.928   2.229   0.154
  139    HA   LYS  17           HA       LYS  17 -12.233   1.440   2.878
  140   1HB   LYS  17          2HB       LYS  17 -10.956   3.430   2.157
  141   2HB   LYS  17          1HB       LYS  17 -12.449   4.188   1.629
  142   1HG   LYS  17          2HG       LYS  17 -13.244   4.358   3.880
  143   2HG   LYS  17          1HG       LYS  17 -11.912   3.368   4.481
  144   1HD   LYS  17          2HD       LYS  17 -11.556   5.777   4.908
  145   2HD   LYS  17          1HD       LYS  17 -10.309   5.088   3.869
  146   1HE   LYS  17          2HE       LYS  17 -11.489   5.986   1.896
  147   2HE   LYS  17          1HE       LYS  17 -12.686   6.717   2.962
  148   1HZ   LYS  17          1HZ       LYS  17  -9.789   7.362   2.882
  149   2HZ   LYS  17          2HZ       LYS  17 -10.905   8.037   3.956
  150   3HZ   LYS  17          3HZ       LYS  17 -11.046   8.326   2.294
  151    H    ALA  18           H        ALA  18 -14.446   2.506   0.383
  152    HA   ALA  18           HA       ALA  18 -16.727   2.726   2.128
  153   1HB   ALA  18          1HB       ALA  18 -18.037   2.839   0.065
  154   2HB   ALA  18          2HB       ALA  18 -16.618   2.373  -0.874
  155   3HB   ALA  18          3HB       ALA  18 -16.641   3.914  -0.017
  156    H    GLN  19           H        GLN  19 -15.204   0.175   0.265
  157    HA   GLN  19           HA       GLN  19 -17.309  -1.759   0.657
  158   1HB   GLN  19          2HB       GLN  19 -14.437  -2.391  -0.041
  159   2HB   GLN  19          1HB       GLN  19 -15.876  -3.321  -0.427
  160   1HG   GLN  19          2HG       GLN  19 -15.225  -0.616  -1.583
  161   2HG   GLN  19          1HG       GLN  19 -14.871  -2.150  -2.367
  162   1HE2  GLN  19          1HE2      GLN  19 -16.142  -1.602  -4.130
  163   2HE2  GLN  19          2HE2      GLN  19 -17.864  -1.590  -4.066
  164    H    GLY  20           H        GLY  20 -14.430  -0.773   2.368
  165   1HA   GLY  20          2HA       GLY  20 -14.021  -1.194   4.659
  166   2HA   GLY  20          1HA       GLY  20 -15.076  -2.594   4.577
  167    H    ARG  21           H        ARG  21 -13.129  -2.782   1.924
  168    HA   ARG  21           HA       ARG  21 -10.927  -4.179   3.235
  169   1HB   ARG  21          2HB       ARG  21 -11.434  -6.256   1.826
  170   2HB   ARG  21          1HB       ARG  21 -12.475  -5.968   3.215
  171   1HG   ARG  21          2HG       ARG  21 -14.166  -4.970   1.704
  172   2HG   ARG  21          1HG       ARG  21 -13.135  -5.366   0.329
  173   1HD   ARG  21          2HD       ARG  21 -14.135  -7.438   2.282
  174   2HD   ARG  21          1HD       ARG  21 -15.026  -6.985   0.831
  175    HE   ARG  21           HE       ARG  21 -12.909  -7.686  -0.382
  176   1HH1  ARG  21          1HH1      ARG  21 -13.901  -9.095   2.598
  177   2HH1  ARG  21          2HH1      ARG  21 -13.175 -10.622   2.244
  178   1HH2  ARG  21          1HH2      ARG  21 -11.992  -9.674  -0.829
  179   2HH2  ARG  21          2HH2      ARG  21 -12.109 -10.945   0.342
  180    H    PHE  22           H        PHE  22  -9.096  -3.770   2.138
  181    HA   PHE  22           HA       PHE  22  -9.224  -2.890  -0.653
  182   1HB   PHE  22          2HB       PHE  22  -7.884  -1.608   1.057
  183   2HB   PHE  22          1HB       PHE  22  -6.799  -2.990   1.166
  184    HD1  PHE  22           HD1      PHE  22  -8.061  -0.338  -1.066
  185    HD2  PHE  22           HD2      PHE  22  -5.122  -3.374  -0.511
  186    HE1  PHE  22           HE1      PHE  22  -6.797   0.533  -2.984
  187    HE2  PHE  22           HE2      PHE  22  -3.858  -2.498  -2.425
  188    HZ   PHE  22           HZ       PHE  22  -4.693  -0.546  -3.664
  189    H    GLU  23           H        GLU  23  -8.944  -4.325  -2.246
  190    HA   GLU  23           HA       GLU  23  -7.627  -6.884  -1.601
  191   1HB   GLU  23          2HB       GLU  23  -9.794  -6.273  -3.621
  192   2HB   GLU  23          1HB       GLU  23  -9.035  -7.849  -3.415
  193   1HG   GLU  23          2HG       GLU  23  -9.843  -7.945  -1.113
  194   2HG   GLU  23          1HG       GLU  23 -10.593  -6.362  -1.302
  195    H    GLY  24           H        GLY  24  -6.727  -4.152  -3.062
  196   1HA   GLY  24          2HA       GLY  24  -4.463  -4.244  -3.958
  197   2HA   GLY  24          1HA       GLY  24  -4.926  -5.681  -4.848
  198    H    SER  25           H        SER  25  -3.664  -3.941  -6.270
  199    HA   SER  25           HA       SER  25  -5.708  -2.613  -7.943
  200   1HB   SER  25          2HB       SER  25  -4.386  -0.922  -6.722
  201   2HB   SER  25          1HB       SER  25  -2.900  -1.612  -7.371
  202    HG   SER  25           HG       SER  25  -4.098   0.309  -8.439
  203    H    ALA  26           H        ALA  26  -4.357  -1.952 -10.136
  204    HA   ALA  26           HA       ALA  26  -4.089  -4.311 -11.591
  205   1HB   ALA  26          1HB       ALA  26  -3.205  -2.941 -13.394
  206   2HB   ALA  26          2HB       ALA  26  -2.878  -1.628 -12.262
  207   3HB   ALA  26          3HB       ALA  26  -4.541  -2.114 -12.593
  208    H    VAL  27           H        VAL  27  -1.609  -2.476  -9.884
  209    HA   VAL  27           HA       VAL  27   0.637  -3.886 -10.943
  210    HB   VAL  27           HB       VAL  27   0.451  -2.423  -8.294
  211   1HG1  VAL  27          1HG1      VAL  27   2.884  -2.139  -8.544
  212   2HG1  VAL  27          2HG1      VAL  27   2.841  -3.116 -10.012
  213   3HG1  VAL  27          3HG1      VAL  27   2.426  -3.840  -8.459
  214   1HG2  VAL  27          1HG2      VAL  27  -0.249  -0.955 -10.106
  215   2HG2  VAL  27          2HG2      VAL  27   1.199  -1.362 -11.026
  216   3HG2  VAL  27          3HG2      VAL  27   1.339  -0.471  -9.511
  217    H    ASP  28           H        ASP  28  -1.228  -4.208  -7.927
  218    HA   ASP  28           HA       ASP  28   0.185  -6.393  -6.858
  219   1HB   ASP  28          2HB       ASP  28  -2.730  -5.668  -6.457
  220   2HB   ASP  28          1HB       ASP  28  -1.761  -6.699  -5.405
  221    H    LEU  29           H        LEU  29  -2.588  -6.229  -9.043
  222    HA   LEU  29           HA       LEU  29  -2.985  -9.054  -9.216
  223   1HB   LEU  29          2HB       LEU  29  -3.859  -6.841 -11.084
  224   2HB   LEU  29          1HB       LEU  29  -4.437  -8.497 -11.139
  225    HG   LEU  29           HG       LEU  29  -4.862  -6.572  -8.841
  226   1HD1  LEU  29          1HD1      LEU  29  -6.158  -5.926 -10.789
  227   2HD1  LEU  29          2HD1      LEU  29  -7.214  -6.600  -9.547
  228   3HD1  LEU  29          3HD1      LEU  29  -6.774  -7.571 -10.953
  229   1HD2  LEU  29          1HD2      LEU  29  -5.893  -9.375  -9.286
  230   2HD2  LEU  29          2HD2      LEU  29  -6.400  -8.295  -7.988
  231   3HD2  LEU  29          3HD2      LEU  29  -4.734  -8.865  -8.058
  232    H    ALA  30           H        ALA  30  -0.832  -6.828 -10.792
  233    HA   ALA  30           HA       ALA  30  -0.154  -8.402 -13.058
  234   1HB   ALA  30          1HB       ALA  30   1.555  -6.378 -11.600
  235   2HB   ALA  30          2HB       ALA  30   0.401  -6.012 -12.883
  236   3HB   ALA  30          3HB       ALA  30   1.826  -6.992 -13.232
  237    H    ASP  31           H        ASP  31   1.229  -8.186  -9.784
  238    HA   ASP  31           HA       ASP  31   3.050 -10.374 -10.164
  239   1HB   ASP  31          2HB       ASP  31   1.917  -9.079  -7.670
  240   2HB   ASP  31          1HB       ASP  31   3.107 -10.376  -7.631
  241    H    GLY  32           H        GLY  32   0.012 -10.111  -8.318
  242   1HA   GLY  32          2HA       GLY  32  -1.438 -12.228  -9.075
  243   2HA   GLY  32          1HA       GLY  32  -0.207 -13.007  -8.088
  244    H    PHE  33           H        PHE  33   0.157 -11.324  -6.030
  245    HA   PHE  33           HA       PHE  33  -2.497 -10.795  -4.855
  246   1HB   PHE  33          2HB       PHE  33  -0.127 -12.119  -3.508
  247   2HB   PHE  33          1HB       PHE  33  -1.535 -11.519  -2.640
  248    HD1  PHE  33           HD1      PHE  33  -3.722 -12.613  -2.900
  249    HD2  PHE  33           HD2      PHE  33  -0.219 -14.170  -4.768
  250    HE1  PHE  33           HE1      PHE  33  -4.867 -14.760  -3.260
  251    HE2  PHE  33           HE2      PHE  33  -1.363 -16.316  -5.131
  252    HZ   PHE  33           HZ       PHE  33  -3.691 -16.613  -4.377
  253    H    ILE  34           H        ILE  34  -2.275  -9.359  -2.845
  254    HA   ILE  34           HA       ILE  34  -1.228  -6.878  -3.535
  255    HB   ILE  34           HB       ILE  34  -1.788  -7.911  -0.741
  256   1HG1  ILE  34          2HG1      ILE  34  -3.601  -6.436  -2.677
  257   2HG1  ILE  34          1HG1      ILE  34  -3.719  -8.145  -2.271
  258   1HG2  ILE  34          1HG2      ILE  34  -1.626  -5.074  -1.769
  259   2HG2  ILE  34          2HG2      ILE  34  -0.469  -5.861  -0.696
  260   3HG2  ILE  34          3HG2      ILE  34  -2.113  -5.551  -0.141
  261   1HD1  ILE  34          1HD1      ILE  34  -5.384  -6.850  -1.083
  262   2HD1  ILE  34          2HD1      ILE  34  -4.123  -5.842  -0.374
  263   3HD1  ILE  34          3HD1      ILE  34  -4.227  -7.552   0.048
  264    H    HIS  35           H        HIS  35   0.726  -5.876  -3.269
  265    HA   HIS  35           HA       HIS  35   2.737  -7.102  -1.530
  266   1HB   HIS  35          2HB       HIS  35   4.466  -7.012  -3.316
  267   2HB   HIS  35          1HB       HIS  35   3.188  -8.177  -3.639
  268    HD1  HIS  35           HD1      HIS  35   4.570  -4.915  -4.841
  269    HD2  HIS  35           HD2      HIS  35   1.648  -7.658  -5.903
  270    HE1  HIS  35           HE1      HIS  35   3.883  -4.285  -7.163
  271    HE2  HIS  35           HE2      HIS  35   2.330  -6.129  -7.875
  272    H    LEU  36           H        LEU  36   3.725  -5.625  -0.359
  273    HA   LEU  36           HA       LEU  36   3.489  -2.802  -1.129
  274   1HB   LEU  36          2HB       LEU  36   4.263  -4.072   1.514
  275   2HB   LEU  36          1HB       LEU  36   4.111  -2.347   1.231
  276    HG   LEU  36           HG       LEU  36   1.660  -2.872   0.573
  277   1HD1  LEU  36          1HD1      LEU  36   1.892  -5.303   0.428
  278   2HD1  LEU  36          2HD1      LEU  36   0.679  -4.836   1.617
  279   3HD1  LEU  36          3HD1      LEU  36   2.274  -5.373   2.149
  280   1HD2  LEU  36          1HD2      LEU  36   2.295  -1.643   2.584
  281   2HD2  LEU  36          2HD2      LEU  36   2.540  -3.163   3.443
  282   3HD2  LEU  36          3HD2      LEU  36   0.928  -2.713   2.892
  283    H    SER  37           H        SER  37   5.645  -1.779   0.395
  284    HA   SER  37           HA       SER  37   8.050  -2.984  -0.806
  285   1HB   SER  37          2HB       SER  37   8.851  -0.761  -1.523
  286   2HB   SER  37          1HB       SER  37   7.348  -1.199  -2.332
  287    HG   SER  37           HG       SER  37   6.250   0.111  -0.770
  288    H    ALA  38           H        ALA  38  10.028  -2.492   0.281
  289    HA   ALA  38           HA       ALA  38   9.593  -1.812   3.105
  290   1HB   ALA  38          1HB       ALA  38  10.581  -3.989   2.626
  291   2HB   ALA  38          2HB       ALA  38  11.704  -2.967   3.523
  292   3HB   ALA  38          3HB       ALA  38  11.923  -3.209   1.789
  293    H    GLY  39           H        GLY  39   9.886   0.297   3.522
  294   1HA   GLY  39          2HA       GLY  39  10.961   2.290   3.861
  295   2HA   GLY  39          1HA       GLY  39  12.445   1.367   3.742
  296    H    GLU  40           H        GLU  40  13.732   1.628   1.986
  297    HA   GLU  40           HA       GLU  40  13.524   3.969   0.470
  298   1HB   GLU  40          2HB       GLU  40  15.666   2.889   0.902
  299   2HB   GLU  40          1HB       GLU  40  15.183   1.488  -0.043
  300   1HG   GLU  40          2HG       GLU  40  15.072   2.921  -2.053
  301   2HG   GLU  40          1HG       GLU  40  15.646   4.279  -1.088
  302    H    GLN  41           H        GLN  41  12.725   0.624  -0.382
  303    HA   GLN  41           HA       GLN  41  12.303   0.870  -3.109
  304   1HB   GLN  41          2HB       GLN  41  10.766  -0.854  -1.148
  305   2HB   GLN  41          1HB       GLN  41  10.787  -1.076  -2.893
  306   1HG   GLN  41          2HG       GLN  41  13.174  -1.549  -2.826
  307   2HG   GLN  41          1HG       GLN  41  13.189  -1.277  -1.083
  308   1HE2  GLN  41          1HE2      GLN  41  12.228  -3.438  -3.635
  309   2HE2  GLN  41          2HE2      GLN  41  11.854  -4.784  -2.617
  310    H    ALA  42           H        ALA  42  10.245   1.942  -0.489
  311    HA   ALA  42           HA       ALA  42   7.842   2.304  -1.924
  312   1HB   ALA  42          1HB       ALA  42   7.187   3.783  -0.090
  313   2HB   ALA  42          2HB       ALA  42   8.854   3.814   0.489
  314   3HB   ALA  42          3HB       ALA  42   7.937   2.307   0.516
  315    H    GLN  43           H        GLN  43  10.317   4.729  -1.015
  316    HA   GLN  43           HA       GLN  43   9.245   6.838  -2.534
  317   1HB   GLN  43          2HB       GLN  43  10.816   7.352  -0.811
  318   2HB   GLN  43          1HB       GLN  43  12.043   6.312  -1.525
  319   1HG   GLN  43          2HG       GLN  43  12.384   7.815  -3.340
  320   2HG   GLN  43          1HG       GLN  43  10.973   8.774  -2.891
  321   1HE2  GLN  43          1HE2      GLN  43  11.115  10.192  -1.190
  322   2HE2  GLN  43          2HE2      GLN  43  12.625  10.669  -0.497
  323    H    GLU  44           H        GLU  44  11.741   4.442  -3.339
  324    HA   GLU  44           HA       GLU  44  12.454   5.369  -5.861
  325   1HB   GLU  44          2HB       GLU  44  12.241   2.509  -4.888
  326   2HB   GLU  44          1HB       GLU  44  13.076   3.006  -6.354
  327   1HG   GLU  44          2HG       GLU  44  13.795   3.859  -3.551
  328   2HG   GLU  44          1HG       GLU  44  14.614   2.613  -4.489
  329    H    THR  45           H        THR  45   9.986   2.863  -5.142
  330    HA   THR  45           HA       THR  45   8.956   2.628  -7.730
  331    HB   THR  45           HB       THR  45   7.448   2.285  -5.121
  332    HG1  THR  45           HG1      THR  45   8.918   0.741  -4.964
  333   1HG2  THR  45          1HG2      THR  45   5.992   0.775  -6.401
  334   2HG2  THR  45          2HG2      THR  45   6.869   1.178  -7.876
  335   3HG2  THR  45          3HG2      THR  45   5.931   2.418  -7.043
  336    H    ALA  46           H        ALA  46   8.110   4.899  -5.151
  337    HA   ALA  46           HA       ALA  46   5.873   6.091  -6.399
  338   1HB   ALA  46          1HB       ALA  46   6.404   6.325  -4.004
  339   2HB   ALA  46          2HB       ALA  46   6.144   7.882  -4.786
  340   3HB   ALA  46          3HB       ALA  46   7.784   7.343  -4.420
  341    H    ALA  47           H        ALA  47   9.334   6.770  -6.627
  342    HA   ALA  47           HA       ALA  47   8.939   9.156  -8.234
  343   1HB   ALA  47          1HB       ALA  47  11.375   9.288  -8.272
  344   2HB   ALA  47          2HB       ALA  47  11.485   7.687  -7.539
  345   3HB   ALA  47          3HB       ALA  47  10.788   9.027  -6.629
  346    H    LYS  48           H        LYS  48   9.489   5.769  -8.815
  347    HA   LYS  48           HA       LYS  48  10.363   6.155 -11.545
  348   1HB   LYS  48          2HB       LYS  48   9.768   3.669  -9.933
  349   2HB   LYS  48          1HB       LYS  48  10.411   3.673 -11.560
  350   1HG   LYS  48          2HG       LYS  48  12.443   4.751 -10.820
  351   2HG   LYS  48          1HG       LYS  48  11.786   4.925  -9.190
  352   1HD   LYS  48          2HD       LYS  48  11.639   2.434  -9.049
  353   2HD   LYS  48          1HD       LYS  48  12.446   2.340 -10.615
  354   1HE   LYS  48          2HE       LYS  48  13.591   3.564  -8.098
  355   2HE   LYS  48          1HE       LYS  48  14.022   1.995  -8.773
  356   1HZ   LYS  48          1HZ       LYS  48  14.733   3.236 -10.813
  357   2HZ   LYS  48          2HZ       LYS  48  15.679   3.505  -9.439
  358   3HZ   LYS  48          3HZ       LYS  48  14.558   4.669  -9.929
  359    H    TRP  49           H        TRP  49   7.602   4.469  -9.981
  360    HA   TRP  49           HA       TRP  49   6.340   4.191 -12.614
  361   1HB   TRP  49          2HB       TRP  49   5.622   2.864  -9.989
  362   2HB   TRP  49          1HB       TRP  49   4.951   2.470 -11.570
  363    HD1  TRP  49           HD1      TRP  49   7.923   1.789  -9.342
  364    HE1  TRP  49           HE1      TRP  49   9.474   0.078 -10.474
  365    HE3  TRP  49           HE3      TRP  49   5.787   1.698 -13.984
  366    HZ2  TRP  49           HZ2      TRP  49   9.759  -1.149 -12.992
  367    HZ3  TRP  49           HZ3      TRP  49   6.762   0.224 -15.700
  368    HH2  TRP  49           HH2      TRP  49   8.708  -1.170 -15.213
  369    H    PHE  50           H        PHE  50   5.732   5.747  -9.517
  370    HA   PHE  50           HA       PHE  50   2.966   6.337 -10.313
  371   1HB   PHE  50          2HB       PHE  50   4.352   6.476  -7.628
  372   2HB   PHE  50          1HB       PHE  50   2.729   7.102  -7.907
  373    HD1  PHE  50           HD2      PHE  50   0.861   5.602  -8.306
  374    HD2  PHE  50           HD1      PHE  50   4.779   4.080  -7.594
  375    HE1  PHE  50           HE2      PHE  50  -0.085   3.369  -7.898
  376    HE2  PHE  50           HE1      PHE  50   3.834   1.845  -7.192
  377    HZ   PHE  50           HZ       PHE  50   1.400   1.485  -7.341
  378    H    ARG  51           H        ARG  51   4.158   7.777 -11.909
  379    HA   ARG  51           HA       ARG  51   4.853  10.366 -10.728
  380   1HB   ARG  51          2HB       ARG  51   5.614   9.010 -13.302
  381   2HB   ARG  51          1HB       ARG  51   5.898  10.703 -13.013
  382   1HG   ARG  51          2HG       ARG  51   7.024   8.448 -11.380
  383   2HG   ARG  51          1HG       ARG  51   7.897   9.382 -12.595
  384   1HD   ARG  51          2HD       ARG  51   8.547  10.357 -10.572
  385   2HD   ARG  51          1HD       ARG  51   7.290  11.439 -11.173
  386    HE   ARG  51           HE       ARG  51   6.587   9.344  -9.239
  387   1HH1  ARG  51          1HH1      ARG  51   6.840  12.683 -10.038
  388   2HH1  ARG  51          2HH1      ARG  51   6.078  13.194  -8.577
  389   1HH2  ARG  51          1HH2      ARG  51   5.587  10.015  -7.393
  390   2HH2  ARG  51          2HH2      ARG  51   5.374  11.706  -7.097
  391    H    GLY  52           H        GLY  52   3.817  12.197 -11.273
  392   1HA   GLY  52          2HA       GLY  52   2.302  13.649 -12.181
  393   2HA   GLY  52          1HA       GLY  52   2.530  12.762 -13.675
  394    H    GLN  53           H        GLN  53   1.061  11.564 -10.655
  395    HA   GLN  53           HA       GLN  53  -1.492  11.288 -12.129
  396   1HB   GLN  53          2HB       GLN  53  -0.418   9.524  -9.914
  397   2HB   GLN  53          1HB       GLN  53  -1.980   9.335 -10.699
  398   1HG   GLN  53          2HG       GLN  53  -0.815   8.940 -12.846
  399   2HG   GLN  53          1HG       GLN  53   0.727   9.044 -11.997
  400   1HE2  GLN  53          1HE2      GLN  53   1.290   7.381 -10.551
  401   2HE2  GLN  53          2HE2      GLN  53   0.533   5.834 -10.620
  402    H    ALA  54           H        ALA  54  -3.407  11.832 -11.106
  403    HA   ALA  54           HA       ALA  54  -3.148  13.904  -9.126
  404   1HB   ALA  54          1HB       ALA  54  -5.636  12.792 -10.426
  405   2HB   ALA  54          2HB       ALA  54  -4.678  14.147 -11.022
  406   3HB   ALA  54          3HB       ALA  54  -5.530  14.281  -9.484
  407    H    ASN  55           H        ASN  55  -3.405  13.775  -7.019
  408    HA   ASN  55           HA       ASN  55  -3.868  13.069  -4.927
  409   1HB   ASN  55          2HB       ASN  55  -6.240  11.750  -6.270
  410   2HB   ASN  55          1HB       ASN  55  -6.060  11.995  -4.535
  411   1HD2  ASN  55          1HD2      ASN  55  -8.102  13.003  -6.342
  412   2HD2  ASN  55          2HD2      ASN  55  -8.066  14.721  -6.195
  413    H    LEU  56           H        LEU  56  -1.972  11.792  -4.806
  414    HA   LEU  56           HA       LEU  56  -2.339   8.890  -5.099
  415   1HB   LEU  56          2HB       LEU  56   0.174  10.530  -4.725
  416   2HB   LEU  56          1HB       LEU  56   0.139   8.778  -4.808
  417    HG   LEU  56           HG       LEU  56  -0.646  10.674  -7.033
  418   1HD1  LEU  56          1HD1      LEU  56   1.323   9.793  -8.179
  419   2HD1  LEU  56          2HD1      LEU  56   1.721   8.817  -6.763
  420   3HD1  LEU  56          3HD1      LEU  56   1.766  10.578  -6.663
  421   1HD2  LEU  56          1HD2      LEU  56  -2.028   8.682  -7.104
  422   2HD2  LEU  56          2HD2      LEU  56  -0.601   7.653  -6.959
  423   3HD2  LEU  56          3HD2      LEU  56  -0.839   8.634  -8.403
  424    H    VAL  57           H        VAL  57  -2.331   7.533  -3.395
  425    HA   VAL  57           HA       VAL  57  -1.975   8.700  -0.700
  426    HB   VAL  57           HB       VAL  57  -3.675   6.308  -1.479
  427   1HG1  VAL  57          1HG1      VAL  57  -2.828   6.121   0.800
  428   2HG1  VAL  57          2HG1      VAL  57  -4.558   6.460   0.814
  429   3HG1  VAL  57          3HG1      VAL  57  -3.406   7.747   1.167
  430   1HG2  VAL  57          1HG2      VAL  57  -4.504   9.121  -0.753
  431   2HG2  VAL  57          2HG2      VAL  57  -5.600   7.762  -0.999
  432   3HG2  VAL  57          3HG2      VAL  57  -4.634   8.370  -2.344
  433    H    LEU  58           H        LEU  58  -0.921   7.423   0.897
  434    HA   LEU  58           HA       LEU  58   0.517   5.044  -0.080
  435   1HB   LEU  58          2HB       LEU  58   1.859   7.272   0.193
  436   2HB   LEU  58          1HB       LEU  58   1.749   6.938   1.909
  437    HG   LEU  58           HG       LEU  58   3.029   5.120  -0.147
  438   1HD1  LEU  58          1HD1      LEU  58   4.288   6.924   1.923
  439   2HD1  LEU  58          2HD1      LEU  58   4.325   7.149   0.172
  440   3HD1  LEU  58          3HD1      LEU  58   5.148   5.770   0.900
  441   1HD2  LEU  58          1HD2      LEU  58   2.118   3.844   1.704
  442   2HD2  LEU  58          2HD2      LEU  58   2.916   4.906   2.864
  443   3HD2  LEU  58          3HD2      LEU  58   3.877   3.881   1.798
  444    H    LEU  59           H        LEU  59  -0.237   3.346   1.024
  445    HA   LEU  59           HA       LEU  59  -1.253   3.661   3.742
  446   1HB   LEU  59          2HB       LEU  59  -1.173   1.227   1.951
  447   2HB   LEU  59          1HB       LEU  59  -1.943   1.303   3.526
  448    HG   LEU  59           HG       LEU  59  -2.770   2.854   1.067
  449   1HD1  LEU  59          1HD1      LEU  59  -4.110   0.570   2.519
  450   2HD1  LEU  59          2HD1      LEU  59  -3.333   0.487   0.936
  451   3HD1  LEU  59          3HD1      LEU  59  -4.784   1.464   1.154
  452   1HD2  LEU  59          1HD2      LEU  59  -4.670   3.621   2.410
  453   2HD2  LEU  59          2HD2      LEU  59  -3.143   4.164   3.102
  454   3HD2  LEU  59          3HD2      LEU  59  -4.006   2.806   3.826
  455    H    ALA  60           H        ALA  60   0.282   3.708   5.262
  456    HA   ALA  60           HA       ALA  60   2.603   1.922   5.076
  457   1HB   ALA  60          1HB       ALA  60   3.512   3.218   6.948
  458   2HB   ALA  60          2HB       ALA  60   2.019   4.154   7.027
  459   3HB   ALA  60          3HB       ALA  60   3.052   4.261   5.603
  460    H    VAL  61           H        VAL  61   2.207  -0.079   5.817
  461    HA   VAL  61           HA       VAL  61   0.647  -0.381   8.316
  462    HB   VAL  61           HB       VAL  61   0.896  -2.397   6.065
  463   1HG1  VAL  61          1HG1      VAL  61  -0.873  -3.622   7.234
  464   2HG1  VAL  61          2HG1      VAL  61  -0.854  -2.425   8.530
  465   3HG1  VAL  61          3HG1      VAL  61   0.559  -3.442   8.249
  466   1HG2  VAL  61          1HG2      VAL  61  -0.418  -0.485   5.330
  467   2HG2  VAL  61          2HG2      VAL  61  -1.423  -0.590   6.776
  468   3HG2  VAL  61          3HG2      VAL  61  -1.463  -1.883   5.576
  469    H    GLU  62           H        GLU  62   1.471  -1.741   9.925
  470    HA   GLU  62           HA       GLU  62   4.278  -2.299   9.846
  471   1HB   GLU  62          2HB       GLU  62   3.143  -1.743  11.960
  472   2HB   GLU  62          1HB       GLU  62   2.194  -3.222  11.844
  473   1HG   GLU  62          2HG       GLU  62   4.148  -4.581  12.120
  474   2HG   GLU  62          1HG       GLU  62   5.204  -3.176  12.001
  475    H    ALA  63           H        ALA  63   5.307  -4.078   9.195
  476    HA   ALA  63           HA       ALA  63   4.135  -6.026   7.611
  477   1HB   ALA  63          1HB       ALA  63   6.735  -6.247   9.134
  478   2HB   ALA  63          2HB       ALA  63   6.524  -5.461   7.568
  479   3HB   ALA  63          3HB       ALA  63   6.267  -7.198   7.724
  480    H    GLU  64           H        GLU  64   5.118  -6.295  11.020
  481    HA   GLU  64           HA       GLU  64   4.541  -7.684  12.703
  482   1HB   GLU  64          2HB       GLU  64   2.147  -8.182  10.934
  483   2HB   GLU  64          1HB       GLU  64   2.308  -8.841  12.554
  484   1HG   GLU  64          2HG       GLU  64   2.585  -6.437  13.342
  485   2HG   GLU  64          1HG       GLU  64   2.025  -5.963  11.738
  486    HA   PRO  65           HA       PRO  65   5.918 -11.890  11.990
  487   1HB   PRO  65          2HB       PRO  65   3.716 -12.728  13.822
  488   2HB   PRO  65          1HB       PRO  65   5.443 -13.094  13.898
  489   1HG   PRO  65          2HG       PRO  65   4.359 -11.320  15.561
  490   2HG   PRO  65          1HG       PRO  65   5.968 -11.041  14.863
  491   1HD   PRO  65          2HD       PRO  65   3.334  -9.819  14.115
  492   2HD   PRO  65          1HD       PRO  65   4.946  -9.074  14.189
  493    H    LEU  66           H        LEU  66   2.370 -11.970  12.483
  494    HA   LEU  66           HA       LEU  66   0.941 -13.597  11.552
  495   1HB   LEU  66          2HB       LEU  66   0.172 -12.462   9.323
  496   2HB   LEU  66          1HB       LEU  66  -0.083 -11.691  10.875
  497    HG   LEU  66           HG       LEU  66   2.043 -10.374  10.438
  498   1HD1  LEU  66          1HD1      LEU  66   3.000 -11.772   8.697
  499   2HD1  LEU  66          2HD1      LEU  66   2.759 -10.122   8.125
  500   3HD1  LEU  66          3HD1      LEU  66   1.643 -11.397   7.632
  501   1HD2  LEU  66          1HD2      LEU  66  -0.297  -9.959   8.576
  502   2HD2  LEU  66          2HD2      LEU  66   0.912  -8.745   9.001
  503   3HD2  LEU  66          3HD2      LEU  66  -0.169  -9.382  10.239
  504    H    GLY  67           H        GLY  67   2.612 -15.281  11.359
  505   1HA   GLY  67          2HA       GLY  67   4.229 -15.899   9.272
  506   2HA   GLY  67          1HA       GLY  67   3.386 -17.114  10.208
  507    H    GLU  68           H        GLU  68   4.098 -16.392   7.217
  508    HA   GLU  68           HA       GLU  68   3.486 -17.379   5.283
  509   1HB   GLU  68          2HB       GLU  68   2.567 -19.243   6.574
  510   2HB   GLU  68          1HB       GLU  68   1.042 -18.387   6.747
  511   1HG   GLU  68          2HG       GLU  68   0.501 -18.641   4.482
  512   2HG   GLU  68          1HG       GLU  68   2.162 -19.030   4.039
  513    H    ASP  69           H        ASP  69   1.179 -15.274   6.900
  514    HA   ASP  69           HA       ASP  69  -0.244 -14.563   4.534
  515   1HB   ASP  69          2HB       ASP  69   0.129 -13.218   7.194
  516   2HB   ASP  69          1HB       ASP  69  -0.656 -12.363   5.871
  517    H    LEU  70           H        LEU  70   2.641 -13.217   6.102
  518    HA   LEU  70           HA       LEU  70   3.111 -11.516   3.745
  519   1HB   LEU  70          2HB       LEU  70   3.187 -10.429   5.958
  520   2HB   LEU  70          1HB       LEU  70   4.475 -11.516   6.442
  521    HG   LEU  70           HG       LEU  70   5.898 -10.545   4.614
  522   1HD1  LEU  70          1HD1      LEU  70   4.118  -9.697   3.176
  523   2HD1  LEU  70          2HD1      LEU  70   5.240  -8.414   3.628
  524   3HD1  LEU  70          3HD1      LEU  70   3.664  -8.523   4.414
  525   1HD2  LEU  70          1HD2      LEU  70   6.424  -8.496   5.815
  526   2HD2  LEU  70          2HD2      LEU  70   6.104  -9.812   6.944
  527   3HD2  LEU  70          3HD2      LEU  70   4.879  -8.576   6.665
  528    H    LYS  71           H        LYS  71   4.941 -11.702   2.512
  529    HA   LYS  71           HA       LYS  71   7.062 -13.565   3.215
  530   1HB   LYS  71          2HB       LYS  71   5.422 -15.036   2.147
  531   2HB   LYS  71          1HB       LYS  71   5.327 -13.957   0.762
  532   1HG   LYS  71          2HG       LYS  71   7.807 -14.415   0.418
  533   2HG   LYS  71          1HG       LYS  71   7.620 -15.723   1.590
  534   1HD   LYS  71          2HD       LYS  71   6.107 -15.419  -1.012
  535   2HD   LYS  71          1HD       LYS  71   7.407 -16.567  -0.694
  536   1HE   LYS  71          2HE       LYS  71   6.067 -17.743   0.910
  537   2HE   LYS  71          1HE       LYS  71   4.813 -16.506   0.847
  538   1HZ   LYS  71          1HZ       LYS  71   5.598 -18.213  -1.446
  539   2HZ   LYS  71          2HZ       LYS  71   4.322 -17.107  -1.405
  540   3HZ   LYS  71          3HZ       LYS  71   4.267 -18.498  -0.449
  541    H    TRP  72           H        TRP  72   8.992 -12.796   2.471
  542    HA   TRP  72           HA       TRP  72   9.039 -10.455   0.782
  543   1HB   TRP  72          2HB       TRP  72  11.305 -12.132   1.901
  544   2HB   TRP  72          1HB       TRP  72  11.511 -10.604   1.045
  545    HD1  TRP  72           HD1      TRP  72  10.613 -12.022   4.436
  546    HE1  TRP  72           HE1      TRP  72  10.319 -10.097   6.119
  547    HE3  TRP  72           HE3      TRP  72  10.720  -8.079   1.184
  548    HZ2  TRP  72           HZ2      TRP  72  10.157  -7.282   6.074
  549    HZ3  TRP  72           HZ3      TRP  72  10.488  -5.801   2.084
  550    HH2  TRP  72           HH2      TRP  72  10.211  -5.411   4.479
  551    H    GLU  73           H        GLU  73   7.840 -11.759  -0.889
  552    HA   GLU  73           HA       GLU  73   9.297 -13.741  -2.395
  553   1HB   GLU  73          2HB       GLU  73   6.913 -14.008  -2.095
  554   2HB   GLU  73          1HB       GLU  73   6.599 -12.434  -2.809
  555   1HG   GLU  73          2HG       GLU  73   7.243 -13.200  -4.975
  556   2HG   GLU  73          1HG       GLU  73   7.857 -14.717  -4.318
  557    H    ALA  74           H        ALA  74  10.420 -13.473  -4.232
  558    HA   ALA  74           HA       ALA  74  10.106 -11.067  -5.851
  559   1HB   ALA  74          1HB       ALA  74  12.774 -11.845  -4.664
  560   2HB   ALA  74          2HB       ALA  74  11.815 -10.432  -4.218
  561   3HB   ALA  74          3HB       ALA  74  12.504 -10.556  -5.838
  562    H    SER  75           H        SER  75  11.494 -11.227  -7.879
  563    HA   SER  75           HA       SER  75  11.589 -14.039  -8.802
  564   1HB   SER  75          2HB       SER  75  10.624 -11.611 -10.347
  565   2HB   SER  75          1HB       SER  75  10.774 -13.240 -11.003
  566    HG   SER  75           HG       SER  75   9.084 -13.902  -9.824
  567    H    ARG  76           H        ARG  76  12.695 -14.017 -11.136
  568    HA   ARG  76           HA       ARG  76  14.445 -13.612 -12.514
  569   1HB   ARG  76          2HB       ARG  76  14.810 -11.128 -10.842
  570   2HB   ARG  76          1HB       ARG  76  15.837 -11.524 -12.215
  571   1HG   ARG  76          2HG       ARG  76  13.922 -11.462 -13.707
  572   2HG   ARG  76          1HG       ARG  76  12.843 -11.160 -12.343
  573   1HD   ARG  76          2HD       ARG  76  15.113  -9.341 -13.154
  574   2HD   ARG  76          1HD       ARG  76  13.439  -9.124 -13.664
  575    HE   ARG  76           HE       ARG  76  12.950  -8.972 -11.189
  576   1HH1  ARG  76          1HH1      ARG  76  16.010  -8.063 -12.485
  577   2HH1  ARG  76          2HH1      ARG  76  16.278  -6.857 -11.280
  578   1HH2  ARG  76          1HH2      ARG  76  13.314  -7.446  -9.644
  579   2HH2  ARG  76          2HH2      ARG  76  14.781  -6.527  -9.666
  580    H    GLY  77           H        GLY  77  15.364 -13.075  -9.092
  581   1HA   GLY  77          2HA       GLY  77  16.954 -15.295  -8.812
  582   2HA   GLY  77          1HA       GLY  77  18.024 -14.095  -9.516
  583    H    GLY  78           H        GLY  78  16.826 -11.835  -8.116
  584   1HA   GLY  78          2HA       GLY  78  17.440 -12.465  -5.300
  585   2HA   GLY  78          1HA       GLY  78  18.335 -11.191  -6.111
  586    H    ALA  79           H        ALA  79  17.629  -9.584  -4.725
  587    HA   ALA  79           HA       ALA  79  16.322  -7.899  -3.952
  588   1HB   ALA  79          1HB       ALA  79  14.466  -7.122  -5.301
  589   2HB   ALA  79          2HB       ALA  79  14.422  -8.653  -6.175
  590   3HB   ALA  79          3HB       ALA  79  15.812  -7.582  -6.346
  591    H    ARG  80           H        ARG  80  13.741  -7.470  -3.410
  592    HA   ARG  80           HA       ARG  80  12.376  -9.834  -2.490
  593   1HB   ARG  80          2HB       ARG  80  12.442  -9.336  -0.107
  594   2HB   ARG  80          1HB       ARG  80  14.079  -9.555  -0.712
  595   1HG   ARG  80          2HG       ARG  80  14.432  -7.156  -0.734
  596   2HG   ARG  80          1HG       ARG  80  12.759  -6.883  -0.245
  597   1HD   ARG  80          2HD       ARG  80  13.246  -8.165   1.852
  598   2HD   ARG  80          1HD       ARG  80  14.941  -8.207   1.366
  599    HE   ARG  80           HE       ARG  80  14.136  -5.544   1.322
  600   1HH1  ARG  80          1HH1      ARG  80  14.567  -8.060   3.652
  601   2HH1  ARG  80          2HH1      ARG  80  14.869  -6.947   4.940
  602   1HH2  ARG  80          1HH2      ARG  80  14.520  -4.145   2.996
  603   2HH2  ARG  80          2HH2      ARG  80  14.871  -4.772   4.571
  604    H    PHE  81           H        PHE  81  10.212  -9.465  -2.389
  605    HA   PHE  81           HA       PHE  81   9.278  -6.705  -1.909
  606   1HB   PHE  81          2HB       PHE  81   8.075  -8.664  -3.892
  607   2HB   PHE  81          1HB       PHE  81   7.433  -7.070  -3.506
  608    HD1  PHE  81           HD1      PHE  81   8.701  -5.037  -4.173
  609    HD2  PHE  81           HD2      PHE  81   9.873  -8.937  -5.425
  610    HE1  PHE  81           HE1      PHE  81  10.095  -4.051  -5.946
  611    HE2  PHE  81           HE2      PHE  81  11.262  -7.955  -7.200
  612    HZ   PHE  81           HZ       PHE  81  11.376  -5.508  -7.462
  613    HA   PRO  82           HA       PRO  82   7.060  -8.959   1.294
  614   1HB   PRO  82          2HB       PRO  82   5.714  -6.828   2.340
  615   2HB   PRO  82          1HB       PRO  82   7.411  -7.175   2.690
  616   1HG   PRO  82          2HG       PRO  82   6.240  -5.206   0.766
  617   2HG   PRO  82          1HG       PRO  82   7.632  -5.024   1.847
  618   1HD   PRO  82          2HD       PRO  82   7.876  -5.542  -0.817
  619   2HD   PRO  82          1HD       PRO  82   9.063  -6.083   0.388
  620    H    HIS  83           H        HIS  83   5.720 -10.204  -0.041
  621    HA   HIS  83           HA       HIS  83   3.267  -9.066  -1.121
  622   1HB   HIS  83          2HB       HIS  83   4.450 -11.847  -1.198
  623   2HB   HIS  83          1HB       HIS  83   2.860 -11.472  -1.849
  624    HD1  HIS  83           HD1      HIS  83   3.197 -11.657  -4.294
  625    HD2  HIS  83           HD2      HIS  83   6.193  -9.427  -2.496
  626    HE1  HIS  83           HE1      HIS  83   4.592 -10.781  -6.180
  627    HE2  HIS  83           HE2      HIS  83   6.547  -9.680  -5.054
  628    H    LEU  84           H        LEU  84   1.444  -8.954   0.001
  629    HA   LEU  84           HA       LEU  84   1.055 -10.648   2.369
  630   1HB   LEU  84          2HB       LEU  84   0.866  -8.155   2.561
  631   2HB   LEU  84          1HB       LEU  84  -0.509  -8.217   1.475
  632    HG   LEU  84           HG       LEU  84  -1.744  -9.583   3.124
  633   1HD1  LEU  84          1HD1      LEU  84  -0.866  -9.836   5.399
  634   2HD1  LEU  84          2HD1      LEU  84   0.667  -9.127   4.886
  635   3HD1  LEU  84          3HD1      LEU  84   0.139 -10.671   4.215
  636   1HD2  LEU  84          1HD2      LEU  84  -0.649  -6.993   4.229
  637   2HD2  LEU  84          2HD2      LEU  84  -2.123  -7.802   4.763
  638   3HD2  LEU  84          3HD2      LEU  84  -2.015  -7.160   3.125
  639    H    TYR  85           H        TYR  85  -0.081 -12.469   2.027
  640    HA   TYR  85           HA       TYR  85  -1.630 -12.810  -0.391
  641   1HB   TYR  85          2HB       TYR  85  -0.960 -14.714   1.860
  642   2HB   TYR  85          1HB       TYR  85  -1.867 -15.174   0.423
  643    HD1  TYR  85           HD2      TYR  85  -0.760 -15.356  -1.748
  644    HD2  TYR  85           HD1      TYR  85   1.443 -14.266   1.731
  645    HE1  TYR  85           HE2      TYR  85   1.341 -15.801  -2.944
  646    HE2  TYR  85           HE1      TYR  85   3.548 -14.705   0.539
  647    HH   TYR  85           HH       TYR  85   3.746 -15.067  -2.795
  648    H    ARG  86           H        ARG  86  -2.575 -11.318   2.298
  649    HA   ARG  86           HA       ARG  86  -5.276 -12.526   2.293
  650   1HB   ARG  86          2HB       ARG  86  -5.640 -11.622   4.493
  651   2HB   ARG  86          1HB       ARG  86  -4.103 -12.476   4.513
  652   1HG   ARG  86          2HG       ARG  86  -2.869 -10.444   4.500
  653   2HG   ARG  86          1HG       ARG  86  -4.306  -9.493   4.127
  654   1HD   ARG  86          2HD       ARG  86  -3.785  -9.174   6.434
  655   2HD   ARG  86          1HD       ARG  86  -5.239 -10.163   6.342
  656    HE   ARG  86           HE       ARG  86  -3.428 -12.061   6.610
  657   1HH1  ARG  86          1HH1      ARG  86  -3.635  -9.018   8.237
  658   2HH1  ARG  86          2HH1      ARG  86  -2.874  -9.612   9.674
  659   1HH2  ARG  86          1HH2      ARG  86  -2.465 -12.817   8.478
  660   2HH2  ARG  86          2HH2      ARG  86  -2.229 -11.743   9.809
  661    HA   PRO  87           HA       PRO  87  -6.903  -8.686   0.555
  662   1HB   PRO  87          2HB       PRO  87  -9.317  -9.198   2.205
  663   2HB   PRO  87          1HB       PRO  87  -9.172  -9.029   0.452
  664   1HG   PRO  87          2HG       PRO  87  -9.638 -11.415   1.581
  665   2HG   PRO  87          1HG       PRO  87  -8.608 -11.255   0.145
  666   1HD   PRO  87          2HD       PRO  87  -7.809 -11.620   3.019
  667   2HD   PRO  87          1HD       PRO  87  -7.126 -12.362   1.555
  668    H    LEU  88           H        LEU  88  -6.014  -6.861   1.406
  669    HA   LEU  88           HA       LEU  88  -5.548  -6.582   4.191
  670   1HB   LEU  88          2HB       LEU  88  -4.285  -5.615   2.078
  671   2HB   LEU  88          1HB       LEU  88  -5.342  -4.241   2.337
  672    HG   LEU  88           HG       LEU  88  -3.343  -5.349   4.326
  673   1HD1  LEU  88          1HD1      LEU  88  -2.278  -4.191   2.484
  674   2HD1  LEU  88          2HD1      LEU  88  -2.168  -3.227   3.956
  675   3HD1  LEU  88          3HD1      LEU  88  -3.342  -2.803   2.711
  676   1HD2  LEU  88          1HD2      LEU  88  -5.275  -4.436   5.497
  677   2HD2  LEU  88          2HD2      LEU  88  -5.159  -2.945   4.561
  678   3HD2  LEU  88          3HD2      LEU  88  -3.876  -3.381   5.690
  679    H    LEU  89           H        LEU  89  -7.201  -6.267   5.537
  680    HA   LEU  89           HA       LEU  89  -9.603  -4.902   4.831
  681   1HB   LEU  89          2HB       LEU  89  -8.572  -5.693   7.563
  682   2HB   LEU  89          1HB       LEU  89 -10.216  -5.198   7.198
  683    HG   LEU  89           HG       LEU  89  -8.844  -7.696   6.177
  684   1HD1  LEU  89          1HD1      LEU  89 -10.499  -8.871   7.567
  685   2HD1  LEU  89          2HD1      LEU  89 -11.055  -7.319   8.195
  686   3HD1  LEU  89          3HD1      LEU  89  -9.410  -7.867   8.522
  687   1HD2  LEU  89          1HD2      LEU  89 -11.046  -8.287   5.256
  688   2HD2  LEU  89          2HD2      LEU  89 -10.384  -6.837   4.505
  689   3HD2  LEU  89          3HD2      LEU  89 -11.660  -6.699   5.717
  690    H    VAL  90           H        VAL  90 -10.262  -2.834   5.228
  691    HA   VAL  90           HA       VAL  90  -8.379  -0.779   5.504
  692    HB   VAL  90           HB       VAL  90 -11.356  -0.666   6.058
  693   1HG1  VAL  90          1HG1      VAL  90 -11.156   1.740   5.553
  694   2HG1  VAL  90          2HG1      VAL  90  -9.404   1.564   5.444
  695   3HG1  VAL  90          3HG1      VAL  90 -10.225   1.287   6.979
  696   1HG2  VAL  90          1HG2      VAL  90  -9.863  -0.018   3.510
  697   2HG2  VAL  90          2HG2      VAL  90 -11.610  -0.006   3.758
  698   3HG2  VAL  90          3HG2      VAL  90 -10.726  -1.527   3.811
  699    H    SER  91           H        SER  91 -10.337  -2.432   7.906
  700    HA   SER  91           HA       SER  91  -9.746  -0.733  10.113
  701   1HB   SER  91          2HB       SER  91 -10.550  -3.658  10.143
  702   2HB   SER  91          1HB       SER  91 -10.655  -2.536  11.500
  703    HG   SER  91           HG       SER  91 -12.186  -1.338  10.319
  704    H    GLU  92           H        GLU  92  -7.733  -2.848   8.428
  705    HA   GLU  92           HA       GLU  92  -6.023  -3.355  10.776
  706   1HB   GLU  92          2HB       GLU  92  -6.695  -5.351   9.524
  707   2HB   GLU  92          1HB       GLU  92  -6.016  -4.679   8.049
  708   1HG   GLU  92          2HG       GLU  92  -3.804  -4.919   8.834
  709   2HG   GLU  92          1HG       GLU  92  -4.337  -5.196  10.492
  710    H    VAL  93           H        VAL  93  -6.277  -1.217   8.208
  711    HA   VAL  93           HA       VAL  93  -3.531  -0.946   7.463
  712    HB   VAL  93           HB       VAL  93  -5.757   1.102   7.263
  713   1HG1  VAL  93          1HG1      VAL  93  -3.067   0.970   5.885
  714   2HG1  VAL  93          2HG1      VAL  93  -3.579   2.161   7.083
  715   3HG1  VAL  93          3HG1      VAL  93  -4.350   2.116   5.498
  716   1HG2  VAL  93          1HG2      VAL  93  -6.001   0.342   4.949
  717   2HG2  VAL  93          2HG2      VAL  93  -6.292  -0.980   6.080
  718   3HG2  VAL  93          3HG2      VAL  93  -4.760  -0.884   5.212
  719    H    THR  94           H        THR  94  -1.986  -0.402   8.890
  720    HA   THR  94           HA       THR  94  -2.235   0.708  11.386
  721    HB   THR  94           HB       THR  94   0.130   1.043   9.520
  722    HG1  THR  94           HG1      THR  94  -0.274  -0.903  11.570
  723   1HG2  THR  94          1HG2      THR  94   1.463   1.291  11.579
  724   2HG2  THR  94          2HG2      THR  94  -0.021   1.274  12.533
  725   3HG2  THR  94          3HG2      THR  94   0.284   2.592  11.402
  726    H    ARG  95           H        ARG  95  -1.146   2.606   8.524
  727    HA   ARG  95           HA       ARG  95  -2.803   4.817   9.461
  728   1HB   ARG  95          2HB       ARG  95  -1.033   6.468   9.360
  729   2HB   ARG  95          1HB       ARG  95  -0.615   5.215  10.521
  730   1HG   ARG  95          2HG       ARG  95   0.920   4.217   8.964
  731   2HG   ARG  95          1HG       ARG  95   0.427   5.338   7.697
  732   1HD   ARG  95          2HD       ARG  95   1.801   6.076  10.288
  733   2HD   ARG  95          1HD       ARG  95   2.552   6.026   8.692
  734    HE   ARG  95           HE       ARG  95   0.293   7.747   8.715
  735   1HH1  ARG  95          1HH1      ARG  95   3.602   7.613   9.669
  736   2HH1  ARG  95          2HH1      ARG  95   3.795   9.331   9.599
  737   1HH2  ARG  95          1HH2      ARG  95   0.547   9.921   8.632
  738   2HH2  ARG  95          2HH2      ARG  95   2.089  10.626   8.984
  739    H    GLU  96           H        GLU  96  -3.662   5.998   7.879
  740    HA   GLU  96           HA       GLU  96  -2.888   5.487   5.096
  741   1HB   GLU  96          2HB       GLU  96  -5.018   6.756   4.572
  742   2HB   GLU  96          1HB       GLU  96  -5.242   5.241   5.434
  743   1HG   GLU  96          2HG       GLU  96  -5.747   6.334   7.457
  744   2HG   GLU  96          1HG       GLU  96  -5.118   7.874   6.880
  745    H    ALA  97           H        ALA  97  -1.540   6.890   4.110
  746    HA   ALA  97           HA       ALA  97  -1.496   9.695   5.061
  747   1HB   ALA  97          1HB       ALA  97   0.503   8.471   5.787
  748   2HB   ALA  97          2HB       ALA  97   0.901   9.758   4.647
  749   3HB   ALA  97          3HB       ALA  97   0.869   8.078   4.106
  750    H    ASP  98           H        ASP  98  -2.486  10.866   3.507
  751    HA   ASP  98           HA       ASP  98  -2.227  10.248   0.709
  752   1HB   ASP  98          2HB       ASP  98  -3.486  12.416   0.398
  753   2HB   ASP  98          1HB       ASP  98  -4.303  11.212   1.386
  754    H    LEU  99           H        LEU  99  -0.774  10.990  -0.712
  755    HA   LEU  99           HA       LEU  99   1.535  12.380   0.353
  756   1HB   LEU  99          2HB       LEU  99   1.050  11.182  -2.382
  757   2HB   LEU  99          1HB       LEU  99   2.591  11.779  -1.790
  758    HG   LEU  99           HG       LEU  99   1.068   9.441  -0.615
  759   1HD1  LEU  99          1HD1      LEU  99   3.532   9.462  -2.364
  760   2HD1  LEU  99          2HD1      LEU  99   1.921   8.933  -2.848
  761   3HD1  LEU  99          3HD1      LEU  99   2.805   8.042  -1.610
  762   1HD2  LEU  99          1HD2      LEU  99   3.833  10.505  -0.015
  763   2HD2  LEU  99          2HD2      LEU  99   3.133   9.025   0.644
  764   3HD2  LEU  99          3HD2      LEU  99   2.428  10.589   1.047
  765    H    ASP 100           H        ASP 100   1.526  14.535   0.392
  766    HA   ASP 100           HA       ASP 100   0.081  16.173  -1.458
  767   1HB   ASP 100          2HB       ASP 100   2.184  16.873   0.603
  768   2HB   ASP 100          1HB       ASP 100   1.254  18.058  -0.310
  769    H    LEU 101           H        LEU 101   3.060  14.608  -1.724
  770    HA   LEU 101           HA       LEU 101   4.797  14.688  -3.196
  771   1HB   LEU 101          2HB       LEU 101   3.109  16.702  -4.703
  772   2HB   LEU 101          1HB       LEU 101   4.510  15.859  -5.334
  773    HG   LEU 101           HG       LEU 101   1.879  14.579  -4.556
  774   1HD1  LEU 101          1HD1      LEU 101   1.627  14.160  -6.953
  775   2HD1  LEU 101          2HD1      LEU 101   3.116  15.053  -7.268
  776   3HD1  LEU 101          3HD1      LEU 101   1.712  15.887  -6.599
  777   1HD2  LEU 101          1HD2      LEU 101   2.809  12.533  -5.562
  778   2HD2  LEU 101          2HD2      LEU 101   3.716  13.045  -4.138
  779   3HD2  LEU 101          3HD2      LEU 101   4.365  13.342  -5.752
  780    H    ASP 102           H        ASP 102   6.030  16.758  -4.614
  781    HA   ASP 102           HA       ASP 102   6.389  19.013  -2.801
  782   1HB   ASP 102          2HB       ASP 102   7.916  17.006  -2.143
  783   2HB   ASP 102          1HB       ASP 102   8.835  17.422  -3.587
  784    H    ALA 103           H        ALA 103   8.561  20.258  -3.868
  785    HA   ALA 103           HA       ALA 103   7.659  21.388  -6.260
  786   1HB   ALA 103          1HB       ALA 103   9.197  22.505  -4.711
  787   2HB   ALA 103          2HB       ALA 103   9.820  22.511  -6.361
  788   3HB   ALA 103          3HB       ALA 103  10.476  21.384  -5.174
  789    H    ASP 104           H        ASP 104   9.711  18.615  -5.734
  790    HA   ASP 104           HA       ASP 104  10.530  18.428  -8.523
  791   1HB   ASP 104          2HB       ASP 104  10.987  16.470  -6.252
  792   2HB   ASP 104          1HB       ASP 104  11.816  16.493  -7.805
  793    H    GLY 105           H        GLY 105   7.777  17.741  -6.868
  794   1HA   GLY 105          2HA       GLY 105   5.900  16.536  -7.498
  795   2HA   GLY 105          1HA       GLY 105   6.829  15.850  -8.817
  796    H    VAL 106           H        VAL 106   8.757  15.313  -6.300
  797    HA   VAL 106           HA       VAL 106   7.922  12.540  -6.060
  798    HB   VAL 106           HB       VAL 106  10.357  13.935  -4.911
  799   1HG1  VAL 106          1HG1      VAL 106   9.735  10.990  -5.194
  800   2HG1  VAL 106          2HG1      VAL 106   9.840  11.900  -3.686
  801   3HG1  VAL 106          3HG1      VAL 106  11.281  11.662  -4.673
  802   1HG2  VAL 106          1HG2      VAL 106  10.329  14.022  -7.357
  803   2HG2  VAL 106          2HG2      VAL 106  10.093  12.275  -7.425
  804   3HG2  VAL 106          3HG2      VAL 106  11.593  12.939  -6.775
  805    HA   PRO 107           HA       PRO 107   5.938  13.188  -2.071
  806   1HB   PRO 107          2HB       PRO 107   5.855  10.564  -1.285
  807   2HB   PRO 107          1HB       PRO 107   4.712  11.281  -2.426
  808   1HG   PRO 107          2HG       PRO 107   7.161   9.642  -2.975
  809   2HG   PRO 107          1HG       PRO 107   5.558   9.546  -3.731
  810   1HD   PRO 107          2HD       PRO 107   7.633  10.785  -4.930
  811   2HD   PRO 107          1HD       PRO 107   5.965  11.367  -5.110
  812    H    GLN 108           H        GLN 108   7.065  14.022  -0.425
  813    HA   GLN 108           HA       GLN 108   9.738  13.329   0.169
  814   1HB   GLN 108          2HB       GLN 108   7.713  14.983   1.679
  815   2HB   GLN 108          1HB       GLN 108   9.386  14.804   2.195
  816   1HG   GLN 108          2HG       GLN 108   8.503  15.927  -0.461
  817   2HG   GLN 108          1HG       GLN 108   8.993  16.881   0.938
  818   1HE2  GLN 108          1HE2      GLN 108  10.155  16.701  -1.764
  819   2HE2  GLN 108          2HE2      GLN 108  11.810  16.270  -1.530
  820    H    LEU 109           H        LEU 109  10.056  11.240   0.749
  821    HA   LEU 109           HA       LEU 109   8.624  10.197   3.090
  822   1HB   LEU 109          2HB       LEU 109   9.959   8.958   0.766
  823   2HB   LEU 109          1HB       LEU 109  10.186   8.118   2.288
  824    HG   LEU 109           HG       LEU 109   7.774   7.895   2.574
  825   1HD1  LEU 109          1HD1      LEU 109   7.534   9.326  -0.073
  826   2HD1  LEU 109          2HD1      LEU 109   7.052   9.958   1.502
  827   3HD1  LEU 109          3HD1      LEU 109   6.213   8.567   0.818
  828   1HD2  LEU 109          1HD2      LEU 109   9.001   6.168   1.319
  829   2HD2  LEU 109          2HD2      LEU 109   8.629   7.014  -0.185
  830   3HD2  LEU 109          3HD2      LEU 109   7.328   6.323   0.786
  831    H    GLY 110           H        GLY 110  11.644  11.589   2.260
  832   1HA   GLY 110          2HA       GLY 110  13.449  10.381   4.002
  833   2HA   GLY 110          1HA       GLY 110  13.487  12.080   3.559
  834    H    ASP 111           H        ASP 111  10.963  12.759   4.717
  835    HA   ASP 111           HA       ASP 111  11.602  13.193   7.443
  836   1HB   ASP 111          2HB       ASP 111  10.174  14.719   6.192
  837   2HB   ASP 111          1HB       ASP 111   8.988  13.446   5.930
  838    H    HIS 112           H        HIS 112   9.673  10.742   5.802
  839    HA   HIS 112           HA       HIS 112   8.436   9.795   8.256
  840   1HB   HIS 112          2HB       HIS 112   8.239   8.750   5.424
  841   2HB   HIS 112          1HB       HIS 112   7.259   8.202   6.779
  842    HD1  HIS 112           HD1      HIS 112   6.166  10.647   8.018
  843    HD2  HIS 112           HD2      HIS 112   6.714  10.354   3.907
  844    HE1  HIS 112           HE1      HIS 112   4.620  12.350   7.010
  845    HE2  HIS 112           HE2      HIS 112   5.038  12.228   4.536
  846    H    LEU 113           H        LEU 113  11.078   8.844   6.172
  847    HA   LEU 113           HA       LEU 113  11.232   6.171   7.332
  848   1HB   LEU 113          2HB       LEU 113  13.063   7.450   5.297
  849   2HB   LEU 113          1HB       LEU 113  12.959   5.746   5.695
  850    HG   LEU 113           HG       LEU 113  10.881   7.403   4.254
  851   1HD1  LEU 113          1HD1      LEU 113  12.791   6.728   2.886
  852   2HD1  LEU 113          2HD1      LEU 113  11.315   5.905   2.386
  853   3HD1  LEU 113          3HD1      LEU 113  12.526   5.044   3.337
  854   1HD2  LEU 113          1HD2      LEU 113   9.763   5.837   5.752
  855   2HD2  LEU 113          2HD2      LEU 113  10.714   4.506   5.090
  856   3HD2  LEU 113          3HD2      LEU 113   9.556   5.358   4.068
  857    H    ALA 114           H        ALA 114  13.473   5.377   7.973
  858    HA   ALA 114           HA       ALA 114  14.698   7.346   9.781
  859   1HB   ALA 114          1HB       ALA 114  15.625   5.420  10.963
  860   2HB   ALA 114          2HB       ALA 114  14.947   4.337   9.748
  861   3HB   ALA 114          3HB       ALA 114  13.876   5.275  10.789
  862    H    LEU 115           H        LEU 115  15.229   6.578   6.736
  863    HA   LEU 115           HA       LEU 115  18.028   5.867   6.766
  864   1HB   LEU 115          2HB       LEU 115  16.152   6.640   4.524
  865   2HB   LEU 115          1HB       LEU 115  17.841   6.250   4.271
  866    HG   LEU 115           HG       LEU 115  17.397   3.969   5.222
  867   1HD1  LEU 115          1HD1      LEU 115  15.098   3.182   5.382
  868   2HD1  LEU 115          2HD1      LEU 115  14.503   4.804   5.029
  869   3HD1  LEU 115          3HD1      LEU 115  15.394   4.495   6.521
  870   1HD2  LEU 115          1HD2      LEU 115  16.304   3.107   3.211
  871   2HD2  LEU 115          2HD2      LEU 115  17.496   4.345   2.811
  872   3HD2  LEU 115          3HD2      LEU 115  15.776   4.739   2.791
  873    H    GLU 116           H        GLU 116  19.451   7.367   7.434
  874    HA   GLU 116           HA       GLU 116  18.946  10.176   7.272
  875   1HB   GLU 116          2HB       GLU 116  21.179  10.450   8.259
  876   2HB   GLU 116          1HB       GLU 116  20.223   9.265   9.135
  877   1HG   GLU 116          2HG       GLU 116  21.453   7.451   8.118
  878   2HG   GLU 116          1HG       GLU 116  22.347   8.583   7.105
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1   9.743  -5.869  13.755
    2   2H    MET   1          2H        MET   1  10.828  -5.339  14.934
    3   3H    MET   1          3H        MET   1  11.348  -5.539  13.333
    4    HA   MET   1           HA       MET   1   9.336  -3.558  14.255
    5   1HB   MET   1          2HB       MET   1  12.164  -3.097  13.278
    6   2HB   MET   1          1HB       MET   1  11.047  -1.875  13.869
    7   1HG   MET   1          2HG       MET   1  11.120  -2.916  16.096
    8   2HG   MET   1          1HG       MET   1  12.280  -4.099  15.488
    9   1HE   MET   1          1HE       MET   1  14.179  -3.602  17.190
   10   2HE   MET   1          2HE       MET   1  13.029  -2.562  18.032
   11   3HE   MET   1          3HE       MET   1  14.654  -1.975  17.676
   12    H    THR   2           H        THR   2   8.729  -5.343  12.167
   13    HA   THR   2           HA       THR   2   9.691  -4.291   9.642
   14    HB   THR   2           HB       THR   2   7.611  -6.459  10.037
   15    HG1  THR   2           HG1      THR   2   9.526  -7.852   9.751
   16   1HG2  THR   2          1HG2      THR   2   8.384  -7.220   7.832
   17   2HG2  THR   2          2HG2      THR   2   9.516  -5.869   7.757
   18   3HG2  THR   2          3HG2      THR   2   7.779  -5.565   7.751
   19    H    LEU   3           H        LEU   3   8.748  -2.719   8.527
   20    HA   LEU   3           HA       LEU   3   5.824  -2.313   8.711
   21   1HB   LEU   3          2HB       LEU   3   7.484  -0.615   9.891
   22   2HB   LEU   3          1HB       LEU   3   7.697  -0.005   8.266
   23    HG   LEU   3           HG       LEU   3   6.071   1.330   9.490
   24   1HD1  LEU   3          1HD1      LEU   3   4.753  -0.301   7.321
   25   2HD1  LEU   3          2HD1      LEU   3   5.736   1.146   7.096
   26   3HD1  LEU   3          3HD1      LEU   3   4.187   1.254   7.930
   27   1HD2  LEU   3          1HD2      LEU   3   5.287  -0.349  11.062
   28   2HD2  LEU   3          2HD2      LEU   3   4.477  -1.219   9.760
   29   3HD2  LEU   3          3HD2      LEU   3   3.926   0.392  10.220
   30    H    ILE   4           H        ILE   4   4.796  -2.176   6.748
   31    HA   ILE   4           HA       ILE   4   6.495  -2.091   4.327
   32    HB   ILE   4           HB       ILE   4   4.630  -3.351   3.195
   33   1HG1  ILE   4          2HG1      ILE   4   3.672  -3.694   6.057
   34   2HG1  ILE   4          1HG1      ILE   4   2.815  -2.859   4.764
   35   1HG2  ILE   4          1HG2      ILE   4   6.686  -4.446   3.897
   36   2HG2  ILE   4          2HG2      ILE   4   5.308  -5.526   4.106
   37   3HG2  ILE   4          3HG2      ILE   4   6.014  -4.715   5.506
   38   1HD1  ILE   4          1HD1      ILE   4   1.862  -5.044   5.151
   39   2HD1  ILE   4          2HD1      ILE   4   3.429  -5.806   4.880
   40   3HD1  ILE   4          3HD1      ILE   4   2.608  -4.982   3.555
   41    H    TYR   5           H        TYR   5   5.830  -0.921   2.523
   42    HA   TYR   5           HA       TYR   5   3.686   1.066   2.982
   43   1HB   TYR   5          2HB       TYR   5   6.368   1.512   1.643
   44   2HB   TYR   5          1HB       TYR   5   5.085   2.708   1.769
   45    HD1  TYR   5           HD1      TYR   5   7.539   0.737   3.722
   46    HD2  TYR   5           HD2      TYR   5   4.810   4.011   3.754
   47    HE1  TYR   5           HE1      TYR   5   8.484   1.497   5.860
   48    HE2  TYR   5           HE2      TYR   5   5.748   4.774   5.896
   49    HH   TYR   5           HH       TYR   5   8.639   3.388   7.248
   50    H    LYS   6           H        LYS   6   2.408   1.652   1.212
   51    HA   LYS   6           HA       LYS   6   3.159   0.873  -1.479
   52   1HB   LYS   6          2HB       LYS   6   2.070  -1.185  -0.594
   53   2HB   LYS   6          1HB       LYS   6   0.603  -0.258  -0.305
   54   1HG   LYS   6          2HG       LYS   6   0.387   0.183  -2.695
   55   2HG   LYS   6          1HG       LYS   6   1.891  -0.683  -3.002
   56   1HD   LYS   6          2HD       LYS   6   0.171  -2.207  -3.536
   57   2HD   LYS   6          1HD       LYS   6   0.769  -2.719  -1.959
   58   1HE   LYS   6          2HE       LYS   6  -1.674  -0.989  -2.369
   59   2HE   LYS   6          1HE       LYS   6  -1.726  -2.742  -2.195
   60   1HZ   LYS   6          1HZ       LYS   6  -0.721  -0.816  -0.166
   61   2HZ   LYS   6          2HZ       LYS   6  -0.741  -2.498   0.006
   62   3HZ   LYS   6          3HZ       LYS   6  -2.195  -1.645  -0.110
   63    H    ILE   7           H        ILE   7   2.553   2.439  -2.851
   64    HA   ILE   7           HA       ILE   7   0.662   4.472  -1.913
   65    HB   ILE   7           HB       ILE   7   2.497   4.547  -4.325
   66   1HG1  ILE   7          2HG1      ILE   7   2.839   5.804  -1.581
   67   2HG1  ILE   7          1HG1      ILE   7   3.752   4.430  -2.201
   68   1HG2  ILE   7          1HG2      ILE   7   2.048   6.978  -4.295
   69   2HG2  ILE   7          2HG2      ILE   7   0.880   6.733  -2.995
   70   3HG2  ILE   7          3HG2      ILE   7   0.589   6.031  -4.587
   71   1HD1  ILE   7          1HD1      ILE   7   3.792   7.228  -3.323
   72   2HD1  ILE   7          2HD1      ILE   7   4.714   5.855  -3.937
   73   3HD1  ILE   7          3HD1      ILE   7   5.040   6.485  -2.323
   74    H    LEU   8           H        LEU   8  -1.290   4.852  -2.828
   75    HA   LEU   8           HA       LEU   8  -1.859   3.884  -5.531
   76   1HB   LEU   8          2HB       LEU   8  -3.903   2.795  -4.982
   77   2HB   LEU   8          1HB       LEU   8  -2.666   2.120  -3.945
   78    HG   LEU   8           HG       LEU   8  -4.673   4.209  -3.058
   79   1HD1  LEU   8          1HD1      LEU   8  -5.804   2.126  -3.610
   80   2HD1  LEU   8          2HD1      LEU   8  -5.785   2.380  -1.866
   81   3HD1  LEU   8          3HD1      LEU   8  -4.672   1.224  -2.601
   82   1HD2  LEU   8          1HD2      LEU   8  -3.936   3.586  -0.794
   83   2HD2  LEU   8          2HD2      LEU   8  -2.622   4.263  -1.753
   84   3HD2  LEU   8          3HD2      LEU   8  -2.714   2.522  -1.493
   85    H    SER   9           H        SER   9  -4.154   4.728  -6.209
   86    HA   SER   9           HA       SER   9  -4.050   7.584  -5.867
   87   1HB   SER   9          2HB       SER   9  -6.100   5.895  -7.340
   88   2HB   SER   9          1HB       SER   9  -5.925   7.645  -7.467
   89    HG   SER   9           HG       SER   9  -4.572   7.207  -9.009
   90    H    ARG  10           H        ARG  10  -5.528   8.947  -4.877
   91    HA   ARG  10           HA       ARG  10  -6.663   8.121  -2.473
   92   1HB   ARG  10          2HB       ARG  10  -6.036  10.455  -3.011
   93   2HB   ARG  10          1HB       ARG  10  -7.410  10.564  -4.101
   94   1HG   ARG  10          2HG       ARG  10  -7.928  11.651  -2.003
   95   2HG   ARG  10          1HG       ARG  10  -8.933  10.214  -2.192
   96   1HD   ARG  10          2HD       ARG  10  -7.467   8.966  -0.693
   97   2HD   ARG  10          1HD       ARG  10  -6.399  10.362  -0.547
   98    HE   ARG  10           HE       ARG  10  -8.848  11.277   0.253
   99   1HH1  ARG  10          1HH1      ARG  10  -6.742   8.734   1.281
  100   2HH1  ARG  10          2HH1      ARG  10  -7.310   8.778   2.912
  101   1HH2  ARG  10          1HH2      ARG  10  -9.554  11.327   2.332
  102   2HH2  ARG  10          2HH2      ARG  10  -8.886  10.243   3.503
  103    H    ALA  11           H        ALA  11  -8.303   8.704  -5.590
  104    HA   ALA  11           HA       ALA  11 -10.927   8.190  -4.788
  105   1HB   ALA  11          1HB       ALA  11 -11.422   7.795  -7.122
  106   2HB   ALA  11          2HB       ALA  11  -9.715   7.524  -7.473
  107   3HB   ALA  11          3HB       ALA  11 -10.271   9.125  -6.984
  108    H    GLU  12           H        GLU  12  -8.411   5.917  -5.801
  109    HA   GLU  12           HA       GLU  12 -10.058   3.597  -5.799
  110   1HB   GLU  12          2HB       GLU  12  -7.981   3.659  -7.062
  111   2HB   GLU  12          1HB       GLU  12  -7.053   3.921  -5.591
  112   1HG   GLU  12          2HG       GLU  12  -7.512   1.707  -4.819
  113   2HG   GLU  12          1HG       GLU  12  -8.678   1.437  -6.115
  114    H    TRP  13           H        TRP  13  -7.843   5.012  -3.400
  115    HA   TRP  13           HA       TRP  13  -8.241   3.052  -1.397
  116   1HB   TRP  13          2HB       TRP  13  -6.324   4.519  -1.295
  117   2HB   TRP  13          1HB       TRP  13  -7.357   5.941  -1.198
  118    HD1  TRP  13           HD1      TRP  13  -7.473   6.886   1.163
  119    HE1  TRP  13           HE1      TRP  13  -7.345   5.947   3.553
  120    HE3  TRP  13           HE3      TRP  13  -6.907   1.922   0.060
  121    HZ2  TRP  13           HZ2      TRP  13  -7.046   3.439   4.809
  122    HZ3  TRP  13           HZ3      TRP  13  -6.711   0.315   1.915
  123    HH2  TRP  13           HH2      TRP  13  -6.778   1.061   4.242
  124    H    ASP  14           H        ASP  14 -10.003   6.009  -2.194
  125    HA   ASP  14           HA       ASP  14 -11.595   6.214   0.111
  126   1HB   ASP  14          2HB       ASP  14 -11.391   7.888  -1.800
  127   2HB   ASP  14          1HB       ASP  14 -12.519   6.881  -2.691
  128    H    ALA  15           H        ALA  15 -12.314   4.683  -3.004
  129    HA   ALA  15           HA       ALA  15 -14.707   3.419  -2.390
  130   1HB   ALA  15          1HB       ALA  15 -13.742   3.601  -4.639
  131   2HB   ALA  15          2HB       ALA  15 -14.191   1.936  -4.258
  132   3HB   ALA  15          3HB       ALA  15 -12.497   2.432  -4.198
  133    H    ALA  16           H        ALA  16 -11.375   2.305  -1.847
  134    HA   ALA  16           HA       ALA  16 -11.930  -0.230  -0.787
  135   1HB   ALA  16          1HB       ALA  16  -9.671   1.644  -0.068
  136   2HB   ALA  16          2HB       ALA  16  -9.679   0.490  -1.402
  137   3HB   ALA  16          3HB       ALA  16  -9.723  -0.087   0.263
  138    H    LYS  17           H        LYS  17 -11.629   2.914   0.889
  139    HA   LYS  17           HA       LYS  17 -12.142   1.991   3.496
  140   1HB   LYS  17          2HB       LYS  17 -12.728   4.695   2.270
  141   2HB   LYS  17          1HB       LYS  17 -12.799   4.348   3.992
  142   1HG   LYS  17          2HG       LYS  17 -10.391   3.730   3.912
  143   2HG   LYS  17          1HG       LYS  17 -10.357   4.237   2.224
  144   1HD   LYS  17          2HD       LYS  17 -11.107   6.033   4.543
  145   2HD   LYS  17          1HD       LYS  17  -9.503   5.956   3.818
  146   1HE   LYS  17          2HE       LYS  17 -10.504   7.820   2.816
  147   2HE   LYS  17          1HE       LYS  17 -10.659   6.547   1.611
  148   1HZ   LYS  17          1HZ       LYS  17 -12.795   7.434   3.481
  149   2HZ   LYS  17          2HZ       LYS  17 -12.958   6.226   2.309
  150   3HZ   LYS  17          3HZ       LYS  17 -12.698   7.827   1.837
  151    H    ALA  18           H        ALA  18 -14.345   2.974   0.910
  152    HA   ALA  18           HA       ALA  18 -16.766   2.791   2.329
  153   1HB   ALA  18          1HB       ALA  18 -17.826   2.496   0.148
  154   2HB   ALA  18          2HB       ALA  18 -16.253   2.170  -0.581
  155   3HB   ALA  18          3HB       ALA  18 -16.601   3.763   0.092
  156    H    GLN  19           H        GLN  19 -14.914   0.326   0.572
  157    HA   GLN  19           HA       GLN  19 -16.698  -1.838   1.099
  158   1HB   GLN  19          2HB       GLN  19 -13.730  -1.969   0.495
  159   2HB   GLN  19          1HB       GLN  19 -14.894  -3.272   0.305
  160   1HG   GLN  19          2HG       GLN  19 -14.905  -0.692  -1.254
  161   2HG   GLN  19          1HG       GLN  19 -14.262  -2.228  -1.829
  162   1HE2  GLN  19          1HE2      GLN  19 -16.417  -0.558  -2.885
  163   2HE2  GLN  19          2HE2      GLN  19 -17.815  -1.570  -2.944
  164    H    GLY  20           H        GLY  20 -14.183  -0.295   2.952
  165   1HA   GLY  20          2HA       GLY  20 -13.497  -0.637   5.145
  166   2HA   GLY  20          1HA       GLY  20 -14.676  -1.933   5.275
  167    H    ARG  21           H        ARG  21 -12.928  -2.534   2.578
  168    HA   ARG  21           HA       ARG  21 -10.772  -4.042   3.815
  169   1HB   ARG  21          2HB       ARG  21 -12.601  -5.574   4.116
  170   2HB   ARG  21          1HB       ARG  21 -13.163  -5.319   2.475
  171   1HG   ARG  21          2HG       ARG  21 -11.050  -6.383   1.666
  172   2HG   ARG  21          1HG       ARG  21 -10.677  -6.777   3.346
  173   1HD   ARG  21          2HD       ARG  21 -12.506  -8.237   3.529
  174   2HD   ARG  21          1HD       ARG  21 -13.299  -7.574   2.102
  175    HE   ARG  21           HE       ARG  21 -11.457  -9.714   2.161
  176   1HH1  ARG  21          1HH1      ARG  21 -12.369  -6.983   0.260
  177   2HH1  ARG  21          2HH1      ARG  21 -11.759  -7.666  -1.205
  178   1HH2  ARG  21          1HH2      ARG  21 -10.741 -10.601   0.251
  179   2HH2  ARG  21          2HH2      ARG  21 -10.872  -9.696  -1.217
  180    H    PHE  22           H        PHE  22  -9.081  -4.307   2.404
  181    HA   PHE  22           HA       PHE  22  -9.518  -3.710  -0.450
  182   1HB   PHE  22          2HB       PHE  22  -8.814  -1.626   0.589
  183   2HB   PHE  22          1HB       PHE  22  -7.457  -2.428   1.364
  184    HD1  PHE  22           HD2      PHE  22  -8.841  -1.556  -1.983
  185    HD2  PHE  22           HD1      PHE  22  -5.375  -2.513   0.304
  186    HE1  PHE  22           HE2      PHE  22  -7.416  -1.009  -3.912
  187    HE2  PHE  22           HE1      PHE  22  -3.950  -1.969  -1.625
  188    HZ   PHE  22           HZ       PHE  22  -4.969  -1.215  -3.734
  189    H    GLU  23           H        GLU  23  -8.503  -5.106  -1.776
  190    HA   GLU  23           HA       GLU  23  -6.397  -6.821  -0.659
  191   1HB   GLU  23          2HB       GLU  23  -6.765  -8.167  -2.816
  192   2HB   GLU  23          1HB       GLU  23  -8.023  -8.218  -1.595
  193   1HG   GLU  23          2HG       GLU  23  -8.213  -6.263  -3.855
  194   2HG   GLU  23          1HG       GLU  23  -8.647  -7.952  -4.105
  195    H    GLY  24           H        GLY  24  -6.918  -5.577  -3.994
  196   1HA   GLY  24          2HA       GLY  24  -4.322  -4.287  -3.971
  197   2HA   GLY  24          1HA       GLY  24  -4.393  -5.753  -4.934
  198    H    SER  25           H        SER  25  -4.692  -5.372  -7.047
  199    HA   SER  25           HA       SER  25  -6.598  -3.640  -8.171
  200   1HB   SER  25          2HB       SER  25  -5.145  -1.870  -7.163
  201   2HB   SER  25          1HB       SER  25  -3.809  -2.438  -8.165
  202    HG   SER  25           HG       SER  25  -5.693  -0.697  -8.793
  203    H    ALA  26           H        ALA  26  -5.253  -2.813 -10.516
  204    HA   ALA  26           HA       ALA  26  -5.532  -5.097 -12.082
  205   1HB   ALA  26          1HB       ALA  26  -4.659  -3.779 -13.922
  206   2HB   ALA  26          2HB       ALA  26  -4.001  -2.598 -12.789
  207   3HB   ALA  26          3HB       ALA  26  -5.746  -2.808 -12.928
  208    H    VAL  27           H        VAL  27  -2.388  -3.412 -11.559
  209    HA   VAL  27           HA       VAL  27  -0.760  -5.395 -12.648
  210    HB   VAL  27           HB       VAL  27   0.084  -3.155 -12.149
  211   1HG1  VAL  27          1HG1      VAL  27   0.689  -2.496  -9.858
  212   2HG1  VAL  27          2HG1      VAL  27  -0.075  -3.962  -9.243
  213   3HG1  VAL  27          3HG1      VAL  27  -1.050  -2.729 -10.045
  214   1HG2  VAL  27          1HG2      VAL  27   2.288  -3.765 -11.248
  215   2HG2  VAL  27          2HG2      VAL  27   1.713  -4.955 -12.415
  216   3HG2  VAL  27          3HG2      VAL  27   1.632  -5.306 -10.689
  217    H    ASP  28           H        ASP  28  -1.904  -5.039  -9.330
  218    HA   ASP  28           HA       ASP  28  -0.490  -7.095  -8.092
  219   1HB   ASP  28          2HB       ASP  28  -1.589  -5.793  -6.561
  220   2HB   ASP  28          1HB       ASP  28  -3.002  -5.589  -7.587
  221    H    LEU  29           H        LEU  29  -3.797  -7.271  -9.471
  222    HA   LEU  29           HA       LEU  29  -3.938 -10.104  -9.263
  223   1HB   LEU  29          2HB       LEU  29  -5.573  -8.146 -10.879
  224   2HB   LEU  29          1HB       LEU  29  -5.940  -9.858 -10.755
  225    HG   LEU  29           HG       LEU  29  -5.897  -7.906  -8.441
  226   1HD1  LEU  29          1HD1      LEU  29  -7.785  -7.526  -9.943
  227   2HD1  LEU  29          2HD1      LEU  29  -8.317  -8.201  -8.403
  228   3HD1  LEU  29          3HD1      LEU  29  -8.226  -9.231  -9.834
  229   1HD2  LEU  29          1HD2      LEU  29  -6.654 -10.829  -8.538
  230   2HD2  LEU  29          2HD2      LEU  29  -6.870  -9.762  -7.150
  231   3HD2  LEU  29          3HD2      LEU  29  -5.247 -10.138  -7.730
  232    H    ALA  30           H        ALA  30  -2.344  -8.084 -11.512
  233    HA   ALA  30           HA       ALA  30  -2.417  -9.750 -13.806
  234   1HB   ALA  30          1HB       ALA  30  -0.253  -7.820 -12.953
  235   2HB   ALA  30          2HB       ALA  30  -1.676  -7.417 -13.913
  236   3HB   ALA  30          3HB       ALA  30  -0.453  -8.507 -14.566
  237    H    ASP  31           H        ASP  31   0.137  -9.406 -11.297
  238    HA   ASP  31           HA       ASP  31   1.342 -11.915 -12.098
  239   1HB   ASP  31          2HB       ASP  31   2.770 -11.539 -10.018
  240   2HB   ASP  31          1HB       ASP  31   2.890 -10.333 -11.293
  241    H    GLY  32           H        GLY  32  -0.576 -10.825  -9.288
  242   1HA   GLY  32          2HA       GLY  32  -2.496 -12.317  -8.824
  243   2HA   GLY  32          1HA       GLY  32  -1.383 -13.663  -8.952
  244    H    PHE  33           H        PHE  33  -0.077 -10.960  -7.263
  245    HA   PHE  33           HA       PHE  33  -1.066 -11.870  -4.674
  246   1HB   PHE  33          2HB       PHE  33   1.312 -12.094  -3.795
  247   2HB   PHE  33          1HB       PHE  33   0.738 -13.386  -4.840
  248    HD1  PHE  33           HD2      PHE  33   2.984 -10.465  -4.627
  249    HD2  PHE  33           HD1      PHE  33   1.743 -13.804  -6.968
  250    HE1  PHE  33           HE2      PHE  33   4.949 -10.175  -6.079
  251    HE2  PHE  33           HE1      PHE  33   3.709 -13.514  -8.426
  252    HZ   PHE  33           HZ       PHE  33   5.313 -11.699  -7.982
  253    H    ILE  34           H        ILE  34  -1.017 -10.347  -3.072
  254    HA   ILE  34           HA       ILE  34  -0.850  -7.638  -3.871
  255    HB   ILE  34           HB       ILE  34  -0.928  -8.675  -1.025
  256   1HG1  ILE  34          2HG1      ILE  34  -3.241  -8.029  -2.885
  257   2HG1  ILE  34          1HG1      ILE  34  -2.735  -9.651  -2.424
  258   1HG2  ILE  34          1HG2      ILE  34  -1.832  -6.034  -2.193
  259   2HG2  ILE  34          2HG2      ILE  34  -0.384  -6.289  -1.221
  260   3HG2  ILE  34          3HG2      ILE  34  -1.978  -6.526  -0.505
  261   1HD1  ILE  34          1HD1      ILE  34  -4.681  -8.930  -1.165
  262   2HD1  ILE  34          2HD1      ILE  34  -3.786  -7.541  -0.552
  263   3HD1  ILE  34          3HD1      ILE  34  -3.296  -9.174  -0.102
  264    H    HIS  35           H        HIS  35   1.230  -7.291  -4.653
  265    HA   HIS  35           HA       HIS  35   3.493  -7.589  -2.830
  266   1HB   HIS  35          2HB       HIS  35   4.845  -6.902  -4.852
  267   2HB   HIS  35          1HB       HIS  35   3.942  -8.403  -5.013
  268    HD1  HIS  35           HD1      HIS  35   4.177  -4.944  -6.370
  269    HD2  HIS  35           HD2      HIS  35   1.824  -8.327  -6.860
  270    HE1  HIS  35           HE1      HIS  35   2.871  -4.559  -8.482
  271    HE2  HIS  35           HE2      HIS  35   1.669  -6.739  -8.878
  272    H    LEU  36           H        LEU  36   3.870  -5.999  -1.449
  273    HA   LEU  36           HA       LEU  36   3.360  -3.209  -2.190
  274   1HB   LEU  36          2HB       LEU  36   4.200  -4.408   0.464
  275   2HB   LEU  36          1HB       LEU  36   3.833  -2.717   0.190
  276    HG   LEU  36           HG       LEU  36   1.486  -3.538  -0.524
  277   1HD1  LEU  36          1HD1      LEU  36   0.754  -5.624   0.514
  278   2HD1  LEU  36          2HD1      LEU  36   2.412  -5.965   1.013
  279   3HD1  LEU  36          3HD1      LEU  36   1.999  -5.909  -0.701
  280   1HD2  LEU  36          1HD2      LEU  36   2.393  -3.716   2.353
  281   2HD2  LEU  36          2HD2      LEU  36   0.721  -3.543   1.817
  282   3HD2  LEU  36          3HD2      LEU  36   1.886  -2.259   1.497
  283    H    SER  37           H        SER  37   5.314  -2.007  -0.518
  284    HA   SER  37           HA       SER  37   7.910  -2.929  -1.526
  285   1HB   SER  37          2HB       SER  37   8.520  -0.632  -2.241
  286   2HB   SER  37          1HB       SER  37   7.172  -1.272  -3.180
  287    HG   SER  37           HG       SER  37   6.237   0.011  -1.009
  288    H    ALA  38           H        ALA  38   9.695  -2.211  -0.295
  289    HA   ALA  38           HA       ALA  38   9.179  -1.531   2.445
  290   1HB   ALA  38          1HB       ALA  38  11.817  -1.621   0.970
  291   2HB   ALA  38          2HB       ALA  38  11.058  -2.987   1.787
  292   3HB   ALA  38          3HB       ALA  38  11.597  -1.591   2.720
  293    H    GLY  39           H        GLY  39  10.803   0.293   3.358
  294   1HA   GLY  39          2HA       GLY  39   9.633   2.738   2.755
  295   2HA   GLY  39          1HA       GLY  39  11.159   2.546   3.598
  296    H    GLU  40           H        GLU  40  13.071   2.059   2.071
  297    HA   GLU  40           HA       GLU  40  13.481   4.221   0.370
  298   1HB   GLU  40          2HB       GLU  40  14.912   1.566   0.103
  299   2HB   GLU  40          1HB       GLU  40  15.503   3.144  -0.391
  300   1HG   GLU  40          2HG       GLU  40  16.677   2.735   1.555
  301   2HG   GLU  40          1HG       GLU  40  15.347   3.748   2.115
  302    H    GLN  41           H        GLN  41  12.465   0.913  -0.439
  303    HA   GLN  41           HA       GLN  41  12.567   1.078  -3.225
  304   1HB   GLN  41          2HB       GLN  41  10.529  -0.450  -1.587
  305   2HB   GLN  41          1HB       GLN  41  10.973  -0.771  -3.259
  306   1HG   GLN  41          2HG       GLN  41  13.248  -1.341  -2.530
  307   2HG   GLN  41          1HG       GLN  41  12.775  -1.049  -0.857
  308   1HE2  GLN  41          1HE2      GLN  41  13.785  -3.481  -1.963
  309   2HE2  GLN  41          2HE2      GLN  41  12.570  -4.683  -1.733
  310    H    ALA  42           H        ALA  42   9.900   1.914  -1.025
  311    HA   ALA  42           HA       ALA  42   8.008   2.674  -2.953
  312   1HB   ALA  42          1HB       ALA  42   8.382   3.750  -0.154
  313   2HB   ALA  42          2HB       ALA  42   7.430   2.338  -0.606
  314   3HB   ALA  42          3HB       ALA  42   6.934   3.943  -1.144
  315    H    GLN  43           H        GLN  43  10.535   4.574  -1.314
  316    HA   GLN  43           HA       GLN  43   9.904   7.061  -2.494
  317   1HB   GLN  43          2HB       GLN  43  11.304   6.930  -0.515
  318   2HB   GLN  43          1HB       GLN  43  12.532   6.034  -1.400
  319   1HG   GLN  43          2HG       GLN  43  13.069   7.942  -2.737
  320   2HG   GLN  43          1HG       GLN  43  11.694   8.843  -2.099
  321   1HE2  GLN  43          1HE2      GLN  43  11.825   9.750  -0.068
  322   2HE2  GLN  43          2HE2      GLN  43  13.310   9.885   0.801
  323    H    GLU  44           H        GLU  44  12.050   4.438  -3.570
  324    HA   GLU  44           HA       GLU  44  13.150   5.757  -5.807
  325   1HB   GLU  44          2HB       GLU  44  12.568   2.801  -5.471
  326   2HB   GLU  44          1HB       GLU  44  13.630   3.499  -6.687
  327   1HG   GLU  44          2HG       GLU  44  15.128   4.304  -4.940
  328   2HG   GLU  44          1HG       GLU  44  14.056   3.648  -3.705
  329    H    THR  45           H        THR  45  10.356   3.540  -5.626
  330    HA   THR  45           HA       THR  45   9.480   3.844  -8.281
  331    HB   THR  45           HB       THR  45   7.768   3.294  -5.833
  332    HG1  THR  45           HG1      THR  45   8.285   1.181  -6.132
  333   1HG2  THR  45          1HG2      THR  45   7.264   2.691  -8.758
  334   2HG2  THR  45          2HG2      THR  45   6.440   3.928  -7.809
  335   3HG2  THR  45          3HG2      THR  45   6.224   2.221  -7.412
  336    H    ALA  46           H        ALA  46   8.866   5.767  -5.396
  337    HA   ALA  46           HA       ALA  46   6.855   7.427  -6.500
  338   1HB   ALA  46          1HB       ALA  46   7.272   8.888  -4.590
  339   2HB   ALA  46          2HB       ALA  46   8.751   7.998  -4.223
  340   3HB   ALA  46          3HB       ALA  46   7.183   7.198  -4.095
  341    H    ALA  47           H        ALA  47  10.387   7.922  -6.150
  342    HA   ALA  47           HA       ALA  47  10.437  10.510  -7.290
  343   1HB   ALA  47          1HB       ALA  47  12.847  10.184  -7.475
  344   2HB   ALA  47          2HB       ALA  47  12.648   8.452  -7.201
  345   3HB   ALA  47          3HB       ALA  47  12.259   9.599  -5.918
  346    H    LYS  48           H        LYS  48   9.969   7.463  -8.721
  347    HA   LYS  48           HA       LYS  48  10.786   8.354 -11.394
  348   1HB   LYS  48          2HB       LYS  48  11.499   6.125 -10.616
  349   2HB   LYS  48          1HB       LYS  48   9.818   5.654 -10.422
  350   1HG   LYS  48          2HG       LYS  48   9.471   5.906 -12.835
  351   2HG   LYS  48          1HG       LYS  48  11.163   6.373 -13.026
  352   1HD   LYS  48          2HD       LYS  48  11.829   4.166 -12.086
  353   2HD   LYS  48          1HD       LYS  48  10.125   3.708 -12.036
  354   1HE   LYS  48          2HE       LYS  48  11.208   2.798 -14.023
  355   2HE   LYS  48          1HE       LYS  48   9.984   3.988 -14.473
  356   1HZ   LYS  48          1HZ       LYS  48  12.899   4.548 -14.287
  357   2HZ   LYS  48          2HZ       LYS  48  11.702   5.610 -14.834
  358   3HZ   LYS  48          3HZ       LYS  48  12.071   4.225 -15.725
  359    H    TRP  49           H        TRP  49   7.968   6.653 -10.004
  360    HA   TRP  49           HA       TRP  49   6.290   7.457 -12.221
  361   1HB   TRP  49          2HB       TRP  49   5.633   5.837  -9.753
  362   2HB   TRP  49          1HB       TRP  49   4.581   6.046 -11.150
  363    HD1  TRP  49           HD1      TRP  49   7.884   4.348 -10.139
  364    HE1  TRP  49           HE1      TRP  49   8.340   2.416 -11.773
  365    HE3  TRP  49           HE3      TRP  49   4.074   5.170 -13.441
  366    HZ2  TRP  49           HZ2      TRP  49   7.235   1.377 -14.145
  367    HZ3  TRP  49           HZ3      TRP  49   3.842   3.656 -15.369
  368    HH2  TRP  49           HH2      TRP  49   5.390   1.801 -15.712
  369    H    PHE  50           H        PHE  50   6.348   8.006  -8.701
  370    HA   PHE  50           HA       PHE  50   4.033   9.804  -8.919
  371   1HB   PHE  50          2HB       PHE  50   5.378   8.682  -6.443
  372   2HB   PHE  50          1HB       PHE  50   3.853   9.559  -6.494
  373    HD1  PHE  50           HD2      PHE  50   1.903   8.509  -7.749
  374    HD2  PHE  50           HD1      PHE  50   5.433   6.348  -6.736
  375    HE1  PHE  50           HE2      PHE  50   0.696   6.388  -8.063
  376    HE2  PHE  50           HE1      PHE  50   4.227   4.229  -7.052
  377    HZ   PHE  50           HZ       PHE  50   1.857   4.245  -7.716
  378    H    ARG  51           H        ARG  51   5.960  11.130 -10.043
  379    HA   ARG  51           HA       ARG  51   8.025  12.331  -8.653
  380   1HB   ARG  51          2HB       ARG  51   7.621  12.441 -11.111
  381   2HB   ARG  51          1HB       ARG  51   6.360  13.628 -10.814
  382   1HG   ARG  51          2HG       ARG  51   8.179  15.027  -9.682
  383   2HG   ARG  51          1HG       ARG  51   9.328  13.912 -10.426
  384   1HD   ARG  51          2HD       ARG  51   7.356  15.735 -11.806
  385   2HD   ARG  51          1HD       ARG  51   9.116  15.804 -11.873
  386    HE   ARG  51           HE       ARG  51   8.467  13.336 -12.876
  387   1HH1  ARG  51          1HH1      ARG  51   7.718  16.606 -13.680
  388   2HH1  ARG  51          2HH1      ARG  51   7.451  16.245 -15.351
  389   1HH2  ARG  51          1HH2      ARG  51   8.132  12.893 -15.022
  390   2HH2  ARG  51          2HH2      ARG  51   7.700  14.172 -16.105
  391    H    GLY  52           H        GLY  52   4.645  13.275  -8.704
  392   1HA   GLY  52          2HA       GLY  52   4.613  14.578  -6.258
  393   2HA   GLY  52          1HA       GLY  52   4.967  15.822  -7.452
  394    H    GLN  53           H        GLN  53   2.838  12.983  -7.571
  395    HA   GLN  53           HA       GLN  53   0.812  14.486  -8.969
  396   1HB   GLN  53          2HB       GLN  53   0.774  11.630  -7.964
  397   2HB   GLN  53          1HB       GLN  53  -0.347  12.331  -9.124
  398   1HG   GLN  53          2HG       GLN  53   1.394  12.582 -10.752
  399   2HG   GLN  53          1HG       GLN  53   2.623  12.104  -9.583
  400   1HE2  GLN  53          1HE2      GLN  53   1.950  10.935 -12.176
  401   2HE2  GLN  53          2HE2      GLN  53   1.576   9.282 -11.865
  402    H    ALA  54           H        ALA  54  -1.106  15.257  -8.182
  403    HA   ALA  54           HA       ALA  54  -1.383  15.321  -5.280
  404   1HB   ALA  54          1HB       ALA  54  -1.518  17.422  -6.519
  405   2HB   ALA  54          2HB       ALA  54  -3.036  17.090  -5.685
  406   3HB   ALA  54          3HB       ALA  54  -2.903  16.810  -7.423
  407    H    ASN  55           H        ASN  55  -1.929  12.877  -5.648
  408    HA   ASN  55           HA       ASN  55  -4.662  12.506  -4.960
  409   1HB   ASN  55          2HB       ASN  55  -5.195  10.994  -6.961
  410   2HB   ASN  55          1HB       ASN  55  -5.199  12.729  -7.262
  411   1HD2  ASN  55          1HD2      ASN  55  -4.752  12.593  -9.422
  412   2HD2  ASN  55          2HD2      ASN  55  -3.229  12.064 -10.038
  413    H    LEU  56           H        LEU  56  -2.026  11.794  -3.953
  414    HA   LEU  56           HA       LEU  56  -1.883   8.878  -4.382
  415   1HB   LEU  56          2HB       LEU  56   0.263  10.626  -3.178
  416   2HB   LEU  56          1HB       LEU  56   0.430   8.993  -3.793
  417    HG   LEU  56           HG       LEU  56  -0.040  11.494  -5.415
  418   1HD1  LEU  56          1HD1      LEU  56   2.160  10.994  -6.358
  419   2HD1  LEU  56          2HD1      LEU  56   2.320   9.624  -5.257
  420   3HD1  LEU  56          3HD1      LEU  56   2.239  11.266  -4.616
  421   1HD2  LEU  56          1HD2      LEU  56   0.114   8.618  -6.315
  422   2HD2  LEU  56          2HD2      LEU  56   0.173  10.021  -7.384
  423   3HD2  LEU  56          3HD2      LEU  56  -1.276   9.702  -6.434
  424    H    VAL  57           H        VAL  57  -1.939   7.450  -2.727
  425    HA   VAL  57           HA       VAL  57  -2.004   8.466   0.050
  426    HB   VAL  57           HB       VAL  57  -3.609   6.147  -1.069
  427   1HG1  VAL  57          1HG1      VAL  57  -4.593   5.982   1.177
  428   2HG1  VAL  57          2HG1      VAL  57  -3.488   7.231   1.752
  429   3HG1  VAL  57          3HG1      VAL  57  -2.857   5.676   1.205
  430   1HG2  VAL  57          1HG2      VAL  57  -4.521   8.825  -0.001
  431   2HG2  VAL  57          2HG2      VAL  57  -5.573   7.506  -0.517
  432   3HG2  VAL  57          3HG2      VAL  57  -4.540   8.319  -1.692
  433    H    LEU  58           H        LEU  58  -0.264   7.770   1.126
  434    HA   LEU  58           HA       LEU  58   1.142   5.351   0.274
  435   1HB   LEU  58          2HB       LEU  58   2.492   7.334   0.619
  436   2HB   LEU  58          1HB       LEU  58   1.860   7.532   2.240
  437    HG   LEU  58           HG       LEU  58   2.991   5.419   2.912
  438   1HD1  LEU  58          1HD1      LEU  58   3.059   4.297   0.760
  439   2HD1  LEU  58          2HD1      LEU  58   4.687   4.453   1.420
  440   3HD1  LEU  58          3HD1      LEU  58   4.154   5.529   0.130
  441   1HD2  LEU  58          1HD2      LEU  58   4.071   7.593   3.276
  442   2HD2  LEU  58          2HD2      LEU  58   4.825   7.485   1.684
  443   3HD2  LEU  58          3HD2      LEU  58   5.256   6.330   2.946
  444    H    LEU  59           H        LEU  59   0.062   3.599   1.053
  445    HA   LEU  59           HA       LEU  59  -1.064   3.497   3.690
  446   1HB   LEU  59          2HB       LEU  59  -0.543   1.288   1.693
  447   2HB   LEU  59          1HB       LEU  59  -1.449   1.097   3.182
  448    HG   LEU  59           HG       LEU  59  -2.232   2.847   0.847
  449   1HD1  LEU  59          1HD1      LEU  59  -3.436   0.274   1.875
  450   2HD1  LEU  59          2HD1      LEU  59  -2.506   0.464   0.389
  451   3HD1  LEU  59          3HD1      LEU  59  -4.070   1.262   0.558
  452   1HD2  LEU  59          1HD2      LEU  59  -3.676   2.324   3.449
  453   2HD2  LEU  59          2HD2      LEU  59  -4.326   3.211   2.070
  454   3HD2  LEU  59          3HD2      LEU  59  -2.938   3.849   2.951
  455    H    ALA  60           H        ALA  60   0.228   3.510   5.407
  456    HA   ALA  60           HA       ALA  60   2.658   1.850   5.454
  457   1HB   ALA  60          1HB       ALA  60   3.251   3.069   7.473
  458   2HB   ALA  60          2HB       ALA  60   1.690   3.889   7.467
  459   3HB   ALA  60          3HB       ALA  60   2.855   4.204   6.181
  460    H    VAL  61           H        VAL  61   2.367  -0.194   6.157
  461    HA   VAL  61           HA       VAL  61   0.276  -0.695   8.193
  462    HB   VAL  61           HB       VAL  61   1.127  -2.583   5.983
  463   1HG1  VAL  61          1HG1      VAL  61   0.359  -3.748   7.992
  464   2HG1  VAL  61          2HG1      VAL  61  -0.804  -3.928   6.678
  465   3HG1  VAL  61          3HG1      VAL  61  -1.124  -2.794   7.990
  466   1HG2  VAL  61          1HG2      VAL  61  -0.083  -0.634   5.101
  467   2HG2  VAL  61          2HG2      VAL  61  -1.406  -0.950   6.224
  468   3HG2  VAL  61          3HG2      VAL  61  -1.034  -2.113   4.951
  469    H    GLU  62           H        GLU  62   0.799  -1.884   9.948
  470    HA   GLU  62           HA       GLU  62   3.496  -2.561  10.537
  471   1HB   GLU  62          2HB       GLU  62   2.508  -3.619  12.579
  472   2HB   GLU  62          1HB       GLU  62   2.002  -1.955  12.324
  473   1HG   GLU  62          2HG       GLU  62  -0.088  -2.913  11.233
  474   2HG   GLU  62          1HG       GLU  62   0.410  -4.467  11.895
  475    H    ALA  63           H        ALA  63   4.558  -4.184   9.616
  476    HA   ALA  63           HA       ALA  63   3.080  -6.233   8.193
  477   1HB   ALA  63          1HB       ALA  63   6.029  -5.625   8.266
  478   2HB   ALA  63          2HB       ALA  63   4.867  -5.036   7.076
  479   3HB   ALA  63          3HB       ALA  63   5.236  -6.756   7.171
  480    H    GLU  64           H        GLU  64   4.115  -6.148  11.312
  481    HA   GLU  64           HA       GLU  64   5.364  -8.749  11.429
  482   1HB   GLU  64          2HB       GLU  64   4.410  -7.014  13.717
  483   2HB   GLU  64          1HB       GLU  64   5.471  -8.414  13.841
  484   1HG   GLU  64          2HG       GLU  64   7.094  -7.196  12.363
  485   2HG   GLU  64          1HG       GLU  64   6.064  -5.775  12.516
  486    HA   PRO  65           HA       PRO  65   1.020  -9.858  13.617
  487   1HB   PRO  65          2HB       PRO  65  -0.593  -8.000  11.908
  488   2HB   PRO  65          1HB       PRO  65  -0.888  -8.549  13.564
  489   1HG   PRO  65          2HG       PRO  65   0.050  -6.109  13.136
  490   2HG   PRO  65          1HG       PRO  65   0.695  -7.089  14.468
  491   1HD   PRO  65          2HD       PRO  65   1.909  -6.491  11.792
  492   2HD   PRO  65          1HD       PRO  65   2.688  -6.610  13.385
  493    H    LEU  66           H        LEU  66   0.877  -8.709  10.227
  494    HA   LEU  66           HA       LEU  66  -0.246 -11.271   9.371
  495   1HB   LEU  66          2HB       LEU  66  -0.439 -10.100   7.140
  496   2HB   LEU  66          1HB       LEU  66  -1.387  -9.431   8.452
  497    HG   LEU  66           HG       LEU  66   0.482  -7.704   8.737
  498   1HD1  LEU  66          1HD1      LEU  66   1.260  -8.742   6.009
  499   2HD1  LEU  66          2HD1      LEU  66   2.242  -8.788   7.475
  500   3HD1  LEU  66          3HD1      LEU  66   1.837  -7.241   6.733
  501   1HD2  LEU  66          1HD2      LEU  66  -1.101  -7.676   6.167
  502   2HD2  LEU  66          2HD2      LEU  66  -0.416  -6.274   6.990
  503   3HD2  LEU  66          3HD2      LEU  66  -1.706  -7.201   7.754
  504    H    GLY  67           H        GLY  67   2.724 -10.580  10.108
  505   1HA   GLY  67          2HA       GLY  67   4.340 -10.706   7.841
  506   2HA   GLY  67          1HA       GLY  67   4.829 -11.201   9.448
  507    H    GLU  68           H        GLU  68   2.735 -13.354   9.493
  508    HA   GLU  68           HA       GLU  68   4.360 -15.444   8.482
  509   1HB   GLU  68          2HB       GLU  68   2.745 -15.618  10.410
  510   2HB   GLU  68          1HB       GLU  68   1.437 -15.658   9.235
  511   1HG   GLU  68          2HG       GLU  68   2.297 -17.713   8.292
  512   2HG   GLU  68          1HG       GLU  68   3.698 -17.649   9.359
  513    H    ASP  69           H        ASP  69   1.736 -13.635   7.088
  514    HA   ASP  69           HA       ASP  69   1.725 -15.379   4.709
  515   1HB   ASP  69          2HB       ASP  69  -0.260 -13.336   5.724
  516   2HB   ASP  69          1HB       ASP  69  -0.354 -14.041   4.110
  517    H    LEU  70           H        LEU  70   3.537 -12.999   5.674
  518    HA   LEU  70           HA       LEU  70   3.487 -11.501   3.125
  519   1HB   LEU  70          2HB       LEU  70   3.101 -10.122   5.132
  520   2HB   LEU  70          1HB       LEU  70   4.621 -10.681   5.808
  521    HG   LEU  70           HG       LEU  70   5.779  -9.633   3.816
  522   1HD1  LEU  70          1HD1      LEU  70   4.565  -7.904   2.586
  523   2HD1  LEU  70          2HD1      LEU  70   3.072  -8.365   3.400
  524   3HD1  LEU  70          3HD1      LEU  70   3.870  -9.500   2.311
  525   1HD2  LEU  70          1HD2      LEU  70   4.227  -7.814   5.658
  526   2HD2  LEU  70          2HD2      LEU  70   5.657  -7.364   4.727
  527   3HD2  LEU  70          3HD2      LEU  70   5.781  -8.574   6.004
  528    H    LYS  71           H        LYS  71   4.894 -12.584   1.819
  529    HA   LYS  71           HA       LYS  71   7.447 -13.542   2.863
  530   1HB   LYS  71          2HB       LYS  71   6.210 -13.732   0.107
  531   2HB   LYS  71          1HB       LYS  71   7.772 -14.413   0.538
  532   1HG   LYS  71          2HG       LYS  71   6.666 -15.868   2.185
  533   2HG   LYS  71          1HG       LYS  71   5.104 -15.197   1.709
  534   1HD   LYS  71          2HD       LYS  71   5.484 -17.336   0.599
  535   2HD   LYS  71          1HD       LYS  71   5.452 -16.026  -0.583
  536   1HE   LYS  71          2HE       LYS  71   7.929 -16.016  -0.596
  537   2HE   LYS  71          1HE       LYS  71   7.926 -17.366   0.539
  538   1HZ   LYS  71          1HZ       LYS  71   8.243 -18.166  -1.693
  539   2HZ   LYS  71          2HZ       LYS  71   6.844 -17.390  -2.229
  540   3HZ   LYS  71          3HZ       LYS  71   6.728 -18.679  -1.142
  541    H    TRP  72           H        TRP  72   8.928 -11.907   3.154
  542    HA   TRP  72           HA       TRP  72   9.293  -9.762   1.301
  543   1HB   TRP  72          2HB       TRP  72  10.989 -10.871   3.535
  544   2HB   TRP  72          1HB       TRP  72  11.612  -9.620   2.463
  545    HD1  TRP  72           HD1      TRP  72   8.867 -10.171   5.108
  546    HE1  TRP  72           HE1      TRP  72   8.136  -7.873   5.997
  547    HE3  TRP  72           HE3      TRP  72  11.523  -7.189   1.922
  548    HZ2  TRP  72           HZ2      TRP  72   8.626  -5.151   5.430
  549    HZ3  TRP  72           HZ3      TRP  72  11.339  -4.747   2.162
  550    HH2  TRP  72           HH2      TRP  72   9.918  -3.748   3.881
  551    H    GLU  73           H        GLU  73   9.383 -10.629  -0.712
  552    HA   GLU  73           HA       GLU  73  11.499 -12.603  -1.308
  553   1HB   GLU  73          2HB       GLU  73   9.255 -13.575  -1.269
  554   2HB   GLU  73          1HB       GLU  73   8.690 -12.365  -2.408
  555   1HG   GLU  73          2HG       GLU  73  10.138 -13.298  -4.135
  556   2HG   GLU  73          1HG       GLU  73  10.745 -14.497  -2.988
  557    H    ALA  74           H        ALA  74  12.985 -11.865  -2.690
  558    HA   ALA  74           HA       ALA  74  12.654  -9.423  -4.138
  559   1HB   ALA  74          1HB       ALA  74  14.900  -9.818  -4.974
  560   2HB   ALA  74          2HB       ALA  74  14.852 -11.480  -4.385
  561   3HB   ALA  74          3HB       ALA  74  14.827 -10.139  -3.240
  562    H    SER  75           H        SER  75  10.882  -9.729  -5.534
  563    HA   SER  75           HA       SER  75  10.856 -11.827  -7.498
  564   1HB   SER  75          2HB       SER  75   8.947 -10.513  -8.492
  565   2HB   SER  75          1HB       SER  75   8.727 -10.943  -6.797
  566    HG   SER  75           HG       SER  75   9.602  -8.431  -7.803
  567    H    ARG  76           H        ARG  76  12.964 -11.542  -8.360
  568    HA   ARG  76           HA       ARG  76  14.495 -10.908  -9.891
  569   1HB   ARG  76          2HB       ARG  76  12.202  -9.422 -11.190
  570   2HB   ARG  76          1HB       ARG  76  13.753  -9.778 -11.941
  571   1HG   ARG  76          2HG       ARG  76  13.183 -12.248 -11.468
  572   2HG   ARG  76          1HG       ARG  76  11.533 -11.668 -11.230
  573   1HD   ARG  76          2HD       ARG  76  11.902 -12.445 -13.527
  574   2HD   ARG  76          1HD       ARG  76  11.526 -10.722 -13.477
  575    HE   ARG  76           HE       ARG  76  13.597 -10.281 -14.328
  576   1HH1  ARG  76          1HH1      ARG  76  13.580 -13.522 -13.147
  577   2HH1  ARG  76          2HH1      ARG  76  15.191 -13.839 -13.689
  578   1HH2  ARG  76          1HH2      ARG  76  15.651 -10.720 -15.032
  579   2HH2  ARG  76          2HH2      ARG  76  16.337 -12.285 -14.757
  580    H    GLY  77           H        GLY  77  15.389  -8.819 -11.112
  581   1HA   GLY  77          2HA       GLY  77  16.208  -6.661 -10.977
  582   2HA   GLY  77          1HA       GLY  77  15.025  -6.323  -9.726
  583    H    GLY  78           H        GLY  78  15.541  -7.540  -7.588
  584   1HA   GLY  78          2HA       GLY  78  17.749  -8.465  -6.525
  585   2HA   GLY  78          1HA       GLY  78  18.319  -6.849  -6.912
  586    H    ALA  79           H        ALA  79  15.466  -5.895  -6.331
  587    HA   ALA  79           HA       ALA  79  15.886  -5.369  -3.515
  588   1HB   ALA  79          1HB       ALA  79  13.975  -3.860  -3.735
  589   2HB   ALA  79          2HB       ALA  79  13.678  -4.467  -5.364
  590   3HB   ALA  79          3HB       ALA  79  15.162  -3.582  -5.011
  591    H    ARG  80           H        ARG  80  14.961  -6.401  -1.857
  592    HA   ARG  80           HA       ARG  80  13.182  -8.604  -2.192
  593   1HB   ARG  80          2HB       ARG  80  14.151  -7.080   0.226
  594   2HB   ARG  80          1HB       ARG  80  13.051  -8.447   0.355
  595   1HG   ARG  80          2HG       ARG  80  14.665  -9.960  -0.473
  596   2HG   ARG  80          1HG       ARG  80  15.710  -8.652  -1.035
  597   1HD   ARG  80          2HD       ARG  80  16.409  -9.846   1.105
  598   2HD   ARG  80          1HD       ARG  80  16.367  -8.086   1.150
  599    HE   ARG  80           HE       ARG  80  14.573  -8.181   2.609
  600   1HH1  ARG  80          1HH1      ARG  80  15.283 -11.349   1.459
  601   2HH1  ARG  80          2HH1      ARG  80  14.418 -12.123   2.738
  602   1HH2  ARG  80          1HH2      ARG  80  13.472  -9.176   4.246
  603   2HH2  ARG  80          2HH2      ARG  80  13.393 -10.905   4.297
  604    H    PHE  81           H        PHE  81  11.147  -8.219  -2.930
  605    HA   PHE  81           HA       PHE  81   9.643  -5.925  -1.911
  606   1HB   PHE  81          2HB       PHE  81   9.006  -7.897  -4.124
  607   2HB   PHE  81          1HB       PHE  81   7.973  -6.548  -3.662
  608    HD1  PHE  81           HD2      PHE  81   9.056  -4.188  -3.737
  609    HD2  PHE  81           HD1      PHE  81  10.625  -7.590  -5.767
  610    HE1  PHE  81           HE2      PHE  81  10.299  -2.706  -5.258
  611    HE2  PHE  81           HE1      PHE  81  11.866  -6.112  -7.293
  612    HZ   PHE  81           HZ       PHE  81  11.703  -3.668  -7.038
  613    HA   PRO  82           HA       PRO  82   7.551  -8.616   1.030
  614   1HB   PRO  82          2HB       PRO  82   5.773  -6.738   1.924
  615   2HB   PRO  82          1HB       PRO  82   7.453  -6.823   2.462
  616   1HG   PRO  82          2HG       PRO  82   6.212  -5.042   0.395
  617   2HG   PRO  82          1HG       PRO  82   7.403  -4.642   1.648
  618   1HD   PRO  82          2HD       PRO  82   8.101  -5.056  -0.933
  619   2HD   PRO  82          1HD       PRO  82   9.168  -5.485   0.418
  620    H    HIS  83           H        HIS  83   6.330 -10.123   0.013
  621    HA   HIS  83           HA       HIS  83   4.003  -9.307  -1.588
  622   1HB   HIS  83          2HB       HIS  83   5.334 -12.023  -1.350
  623   2HB   HIS  83          1HB       HIS  83   4.026 -11.611  -2.455
  624    HD1  HIS  83           HD1      HIS  83   6.722 -12.705  -3.484
  625    HD2  HIS  83           HD2      HIS  83   5.789  -8.661  -3.212
  626    HE1  HIS  83           HE1      HIS  83   8.199 -11.560  -5.152
  627    HE2  HIS  83           HE2      HIS  83   7.721  -9.113  -4.875
  628    H    LEU  84           H        LEU  84   2.236  -9.062  -0.336
  629    HA   LEU  84           HA       LEU  84   1.693 -10.893   1.877
  630   1HB   LEU  84          2HB       LEU  84   1.432  -8.501   2.283
  631   2HB   LEU  84          1HB       LEU  84   0.299  -8.373   0.952
  632    HG   LEU  84           HG       LEU  84  -1.331  -9.721   2.181
  633   1HD1  LEU  84          1HD1      LEU  84  -0.961 -10.350   4.516
  634   2HD1  LEU  84          2HD1      LEU  84   0.699  -9.761   4.416
  635   3HD1  LEU  84          3HD1      LEU  84   0.193 -11.149   3.449
  636   1HD2  LEU  84          1HD2      LEU  84  -0.246  -7.443   3.835
  637   2HD2  LEU  84          2HD2      LEU  84  -1.875  -8.113   3.927
  638   3HD2  LEU  84          3HD2      LEU  84  -1.342  -7.291   2.461
  639    H    TYR  85           H        TYR  85   0.017 -12.352   1.919
  640    HA   TYR  85           HA       TYR  85  -1.529 -12.681  -0.588
  641   1HB   TYR  85          2HB       TYR  85  -0.509 -14.776   1.351
  642   2HB   TYR  85          1HB       TYR  85  -1.584 -15.120  -0.004
  643    HD1  TYR  85           HD1      TYR  85   1.816 -13.969   0.908
  644    HD2  TYR  85           HD2      TYR  85  -0.736 -15.277  -2.240
  645    HE1  TYR  85           HE1      TYR  85   3.762 -14.178  -0.579
  646    HE2  TYR  85           HE2      TYR  85   1.202 -15.496  -3.728
  647    HH   TYR  85           HH       TYR  85   3.422 -14.690  -3.975
  648    H    ARG  86           H        ARG  86  -2.352 -11.090   1.732
  649    HA   ARG  86           HA       ARG  86  -4.901 -12.425   2.305
  650   1HB   ARG  86          2HB       ARG  86  -3.073 -11.184   4.371
  651   2HB   ARG  86          1HB       ARG  86  -4.772 -11.528   4.675
  652   1HG   ARG  86          2HG       ARG  86  -2.677 -13.566   3.928
  653   2HG   ARG  86          1HG       ARG  86  -3.306 -13.282   5.553
  654   1HD   ARG  86          2HD       ARG  86  -5.471 -14.055   4.950
  655   2HD   ARG  86          1HD       ARG  86  -5.078 -14.029   3.230
  656    HE   ARG  86           HE       ARG  86  -3.315 -15.786   4.465
  657   1HH1  ARG  86          1HH1      ARG  86  -6.695 -15.537   3.892
  658   2HH1  ARG  86          2HH1      ARG  86  -6.926 -17.246   3.807
  659   1HH2  ARG  86          1HH2      ARG  86  -3.617 -17.987   4.358
  660   2HH2  ARG  86          2HH2      ARG  86  -5.201 -18.617   4.059
  661    HA   PRO  87           HA       PRO  87  -6.618  -8.463   1.193
  662   1HB   PRO  87          2HB       PRO  87  -8.918  -9.195   2.909
  663   2HB   PRO  87          1HB       PRO  87  -8.871  -8.866   1.174
  664   1HG   PRO  87          2HG       PRO  87  -9.224 -11.353   2.107
  665   2HG   PRO  87          1HG       PRO  87  -8.276 -11.042   0.640
  666   1HD   PRO  87          2HD       PRO  87  -7.318 -11.615   3.428
  667   2HD   PRO  87          1HD       PRO  87  -6.707 -12.234   1.878
  668    H    LEU  88           H        LEU  88  -5.988  -6.588   2.098
  669    HA   LEU  88           HA       LEU  88  -5.583  -6.370   4.949
  670   1HB   LEU  88          2HB       LEU  88  -3.955  -5.456   3.372
  671   2HB   LEU  88          1HB       LEU  88  -5.173  -4.383   2.711
  672    HG   LEU  88           HG       LEU  88  -5.300  -3.216   4.900
  673   1HD1  LEU  88          1HD1      LEU  88  -4.594  -5.041   6.357
  674   2HD1  LEU  88          2HD1      LEU  88  -3.572  -3.622   6.588
  675   3HD1  LEU  88          3HD1      LEU  88  -2.976  -4.994   5.653
  676   1HD2  LEU  88          1HD2      LEU  88  -3.856  -2.373   3.107
  677   2HD2  LEU  88          2HD2      LEU  88  -2.522  -3.354   3.716
  678   3HD2  LEU  88          3HD2      LEU  88  -3.173  -2.041   4.697
  679    H    LEU  89           H        LEU  89  -7.301  -5.966   6.229
  680    HA   LEU  89           HA       LEU  89  -9.635  -4.555   5.404
  681   1HB   LEU  89          2HB       LEU  89  -8.573  -5.369   8.104
  682   2HB   LEU  89          1HB       LEU  89 -10.036  -4.420   7.953
  683    HG   LEU  89           HG       LEU  89 -10.545  -6.782   8.278
  684   1HD1  LEU  89          1HD1      LEU  89 -12.100  -5.446   6.986
  685   2HD1  LEU  89          2HD1      LEU  89 -12.051  -7.102   6.380
  686   3HD1  LEU  89          3HD1      LEU  89 -11.217  -5.817   5.504
  687   1HD2  LEU  89          1HD2      LEU  89  -9.983  -8.464   6.622
  688   2HD2  LEU  89          2HD2      LEU  89  -8.514  -7.728   7.260
  689   3HD2  LEU  89          3HD2      LEU  89  -9.112  -7.267   5.664
  690    H    VAL  90           H        VAL  90 -10.159  -2.399   5.554
  691    HA   VAL  90           HA       VAL  90  -8.143  -0.457   5.724
  692    HB   VAL  90           HB       VAL  90 -11.131  -0.098   6.105
  693   1HG1  VAL  90          1HG1      VAL  90 -10.730   2.250   5.450
  694   2HG1  VAL  90          2HG1      VAL  90  -8.992   1.952   5.493
  695   3HG1  VAL  90          3HG1      VAL  90  -9.944   1.837   6.973
  696   1HG2  VAL  90          1HG2      VAL  90  -9.412   0.199   3.631
  697   2HG2  VAL  90          2HG2      VAL  90 -11.145   0.508   3.735
  698   3HG2  VAL  90          3HG2      VAL  90 -10.529  -1.128   3.959
  699    H    SER  91           H        SER  91 -10.448  -1.581   8.169
  700    HA   SER  91           HA       SER  91  -9.561   0.174  10.242
  701   1HB   SER  91          2HB       SER  91 -11.779  -0.877  10.307
  702   2HB   SER  91          1HB       SER  91 -11.034  -2.469  10.437
  703    HG   SER  91           HG       SER  91  -9.964  -1.200  12.385
  704    H    GLU  92           H        GLU  92  -8.088  -2.492   8.833
  705    HA   GLU  92           HA       GLU  92  -6.568  -3.261  11.212
  706   1HB   GLU  92          2HB       GLU  92  -7.449  -5.065   9.856
  707   2HB   GLU  92          1HB       GLU  92  -6.690  -4.411   8.414
  708   1HG   GLU  92          2HG       GLU  92  -4.502  -4.940   9.265
  709   2HG   GLU  92          1HG       GLU  92  -5.185  -5.445  10.811
  710    H    VAL  93           H        VAL  93  -6.308  -1.174   8.526
  711    HA   VAL  93           HA       VAL  93  -3.501  -1.220   8.094
  712    HB   VAL  93           HB       VAL  93  -5.428   1.082   7.649
  713   1HG1  VAL  93          1HG1      VAL  93  -2.696   0.558   6.462
  714   2HG1  VAL  93          2HG1      VAL  93  -3.101   1.819   7.626
  715   3HG1  VAL  93          3HG1      VAL  93  -3.782   1.870   6.000
  716   1HG2  VAL  93          1HG2      VAL  93  -5.529   0.279   5.322
  717   2HG2  VAL  93          2HG2      VAL  93  -6.168  -0.905   6.462
  718   3HG2  VAL  93          3HG2      VAL  93  -4.557  -1.123   5.774
  719    H    THR  94           H        THR  94  -1.849   0.071   8.934
  720    HA   THR  94           HA       THR  94  -2.232   1.030  11.628
  721    HB   THR  94           HB       THR  94   0.262   1.197   9.912
  722    HG1  THR  94           HG1      THR  94  -0.366  -0.777  11.876
  723   1HG2  THR  94          1HG2      THR  94   0.342   2.678  11.854
  724   2HG2  THR  94          2HG2      THR  94   1.434   1.311  12.082
  725   3HG2  THR  94          3HG2      THR  94  -0.122   1.344  12.910
  726    H    ARG  95           H        ARG  95  -1.196   2.532   8.553
  727    HA   ARG  95           HA       ARG  95  -2.409   5.054   9.370
  728   1HB   ARG  95          2HB       ARG  95  -0.102   5.191  10.235
  729   2HB   ARG  95          1HB       ARG  95   0.517   4.877   8.624
  730   1HG   ARG  95          2HG       ARG  95   0.711   7.207   8.998
  731   2HG   ARG  95          1HG       ARG  95  -0.628   6.983   7.871
  732   1HD   ARG  95          2HD       ARG  95  -1.245   8.625   9.537
  733   2HD   ARG  95          1HD       ARG  95  -2.209   7.165   9.771
  734    HE   ARG  95           HE       ARG  95   0.193   7.704  11.385
  735   1HH1  ARG  95          1HH1      ARG  95  -3.152   6.905  11.161
  736   2HH1  ARG  95          2HH1      ARG  95  -3.318   6.689  12.869
  737   1HH2  ARG  95          1HH2      ARG  95  -0.031   7.412  13.552
  738   2HH2  ARG  95          2HH2      ARG  95  -1.564   6.957  14.210
  739    H    GLU  96           H        GLU  96  -3.061   6.306   7.689
  740    HA   GLU  96           HA       GLU  96  -2.303   5.464   4.960
  741   1HB   GLU  96          2HB       GLU  96  -4.465   6.386   4.172
  742   2HB   GLU  96          1HB       GLU  96  -4.667   5.044   5.286
  743   1HG   GLU  96          2HG       GLU  96  -5.338   6.502   7.050
  744   2HG   GLU  96          1HG       GLU  96  -4.885   7.932   6.123
  745    H    ALA  97           H        ALA  97  -0.652   6.810   4.478
  746    HA   ALA  97           HA       ALA  97  -0.755   9.609   5.290
  747   1HB   ALA  97          1HB       ALA  97   1.437   8.041   3.931
  748   2HB   ALA  97          2HB       ALA  97   1.321   8.410   5.651
  749   3HB   ALA  97          3HB       ALA  97   1.567   9.710   4.485
  750    H    ASP  98           H        ASP  98  -2.405  10.386   3.942
  751    HA   ASP  98           HA       ASP  98  -2.353  10.178   1.113
  752   1HB   ASP  98          2HB       ASP  98  -3.979  12.165   1.261
  753   2HB   ASP  98          1HB       ASP  98  -4.462  10.655   2.024
  754    H    LEU  99           H        LEU  99  -0.645  10.860   0.028
  755    HA   LEU  99           HA       LEU  99   0.944  12.164  -0.905
  756   1HB   LEU  99          2HB       LEU  99  -1.104  13.593  -1.290
  757   2HB   LEU  99          1HB       LEU  99  -0.632  14.527   0.118
  758    HG   LEU  99           HG       LEU  99   1.519  15.079  -1.025
  759   1HD1  LEU  99          1HD1      LEU  99   1.682  14.693  -3.447
  760   2HD1  LEU  99          2HD1      LEU  99   0.220  13.707  -3.378
  761   3HD1  LEU  99          3HD1      LEU  99   1.676  13.189  -2.527
  762   1HD2  LEU  99          1HD2      LEU  99  -0.984  15.854  -2.531
  763   2HD2  LEU  99          2HD2      LEU  99   0.563  16.701  -2.589
  764   3HD2  LEU  99          3HD2      LEU  99  -0.355  16.644  -1.084
  765    H    ASP 100           H        ASP 100   2.809  11.830   0.173
  766    HA   ASP 100           HA       ASP 100   3.411  13.556   2.499
  767   1HB   ASP 100          2HB       ASP 100   3.206  11.057   2.950
  768   2HB   ASP 100          1HB       ASP 100   4.630  10.833   1.943
  769    H    LEU 101           H        LEU 101   4.367  15.226   1.283
  770    HA   LEU 101           HA       LEU 101   6.820  14.516  -0.212
  771   1HB   LEU 101          2HB       LEU 101   4.832  16.663  -0.972
  772   2HB   LEU 101          1HB       LEU 101   6.317  16.294  -1.824
  773    HG   LEU 101           HG       LEU 101   3.894  14.496  -1.607
  774   1HD1  LEU 101          1HD1      LEU 101   3.570  16.407  -3.090
  775   2HD1  LEU 101          2HD1      LEU 101   3.660  14.898  -3.997
  776   3HD1  LEU 101          3HD1      LEU 101   5.046  15.988  -3.962
  777   1HD2  LEU 101          1HD2      LEU 101   5.060  13.025  -3.182
  778   2HD2  LEU 101          2HD2      LEU 101   5.944  13.166  -1.664
  779   3HD2  LEU 101          3HD2      LEU 101   6.493  14.051  -3.087
  780    H    ASP 102           H        ASP 102   8.389  16.299  -0.440
  781    HA   ASP 102           HA       ASP 102   8.247  18.256   1.767
  782   1HB   ASP 102          2HB       ASP 102  10.133  16.484   1.594
  783   2HB   ASP 102          1HB       ASP 102  10.769  17.492   0.302
  784    H    ALA 103           H        ALA 103  10.179  20.075   0.926
  785    HA   ALA 103           HA       ALA 103   8.672  21.837  -0.629
  786   1HB   ALA 103          1HB       ALA 103  10.402  22.529   0.969
  787   2HB   ALA 103          2HB       ALA 103  10.627  23.276  -0.613
  788   3HB   ALA 103          3HB       ALA 103  11.646  21.922  -0.126
  789    H    ASP 104           H        ASP 104  10.927  19.393  -1.681
  790    HA   ASP 104           HA       ASP 104  11.241  20.553  -4.338
  791   1HB   ASP 104          2HB       ASP 104  12.264  17.913  -3.251
  792   2HB   ASP 104          1HB       ASP 104  12.747  18.678  -4.763
  793    H    GLY 105           H        GLY 105   8.818  18.975  -2.883
  794   1HA   GLY 105          2HA       GLY 105   6.990  17.823  -3.691
  795   2HA   GLY 105          1HA       GLY 105   7.708  17.909  -5.288
  796    H    VAL 106           H        VAL 106   9.959  16.660  -3.197
  797    HA   VAL 106           HA       VAL 106   9.556  13.949  -4.188
  798    HB   VAL 106           HB       VAL 106  11.814  15.141  -2.545
  799   1HG1  VAL 106          1HG1      VAL 106  11.623  12.731  -2.150
  800   2HG1  VAL 106          2HG1      VAL 106  13.069  13.096  -3.090
  801   3HG1  VAL 106          3HG1      VAL 106  11.642  12.433  -3.888
  802   1HG2  VAL 106          1HG2      VAL 106  11.705  16.098  -4.777
  803   2HG2  VAL 106          2HG2      VAL 106  11.654  14.486  -5.492
  804   3HG2  VAL 106          3HG2      VAL 106  13.103  15.029  -4.643
  805    HA   PRO 107           HA       PRO 107   7.627  12.537  -0.370
  806   1HB   PRO 107          2HB       PRO 107   8.365   9.880  -0.599
  807   2HB   PRO 107          1HB       PRO 107   6.958  10.597  -1.391
  808   1HG   PRO 107          2HG       PRO 107   9.694  10.075  -2.503
  809   2HG   PRO 107          1HG       PRO 107   8.111   9.813  -3.256
  810   1HD   PRO 107          2HD       PRO 107   9.604  11.937  -3.894
  811   2HD   PRO 107          1HD       PRO 107   7.835  12.072  -3.760
  812    H    GLN 108           H        GLN 108   8.908  13.528   1.178
  813    HA   GLN 108           HA       GLN 108  11.642  12.665   1.621
  814   1HB   GLN 108          2HB       GLN 108  10.508  15.074   1.789
  815   2HB   GLN 108          1HB       GLN 108  10.251  14.574   3.453
  816   1HG   GLN 108          2HG       GLN 108  12.300  15.909   3.095
  817   2HG   GLN 108          1HG       GLN 108  12.602  14.325   3.810
  818   1HE2  GLN 108          1HE2      GLN 108  12.855  16.242   0.887
  819   2HE2  GLN 108          2HE2      GLN 108  14.038  15.246   0.120
  820    H    LEU 109           H        LEU 109   9.983  10.584   2.028
  821    HA   LEU 109           HA       LEU 109   8.986  10.262   4.636
  822   1HB   LEU 109          2HB       LEU 109   9.024   7.767   3.984
  823   2HB   LEU 109          1HB       LEU 109   7.980   8.868   3.115
  824    HG   LEU 109           HG       LEU 109   9.657   8.961   1.273
  825   1HD1  LEU 109          1HD1      LEU 109  11.406   7.222   1.206
  826   2HD1  LEU 109          2HD1      LEU 109  11.032   6.819   2.886
  827   3HD1  LEU 109          3HD1      LEU 109  11.666   8.415   2.477
  828   1HD2  LEU 109          1HD2      LEU 109   8.648   6.202   1.986
  829   2HD2  LEU 109          2HD2      LEU 109   9.161   6.733   0.384
  830   3HD2  LEU 109          3HD2      LEU 109   7.742   7.458   1.138
  831    H    GLY 110           H        GLY 110  12.135  10.651   3.950
  832   1HA   GLY 110          2HA       GLY 110  13.583   8.737   5.315
  833   2HA   GLY 110          1HA       GLY 110  13.975  10.450   5.321
  834    H    ASP 111           H        ASP 111  11.615  11.353   6.702
  835    HA   ASP 111           HA       ASP 111  12.276  10.885   9.413
  836   1HB   ASP 111          2HB       ASP 111   9.747  12.008   8.185
  837   2HB   ASP 111          1HB       ASP 111  10.123  12.050   9.906
  838    H    HIS 112           H        HIS 112  10.075   9.272   7.233
  839    HA   HIS 112           HA       HIS 112   8.839   7.626   9.264
  840   1HB   HIS 112          2HB       HIS 112   8.888   7.363   6.242
  841   2HB   HIS 112          1HB       HIS 112   7.916   6.365   7.309
  842    HD1  HIS 112           HD1      HIS 112   6.490   8.279   9.069
  843    HD2  HIS 112           HD2      HIS 112   7.245   9.134   5.076
  844    HE1  HIS 112           HE1      HIS 112   4.814  10.031   8.429
  845    HE2  HIS 112           HE2      HIS 112   5.428  10.677   6.077
  846    H    LEU 113           H        LEU 113  11.725   7.546   7.370
  847    HA   LEU 113           HA       LEU 113  12.155   4.672   7.881
  848   1HB   LEU 113          2HB       LEU 113  13.678   6.486   6.009
  849   2HB   LEU 113          1HB       LEU 113  13.798   4.742   6.110
  850    HG   LEU 113           HG       LEU 113  11.525   6.378   5.009
  851   1HD1  LEU 113          1HD1      LEU 113  13.406   5.959   3.514
  852   2HD1  LEU 113          2HD1      LEU 113  11.964   5.095   2.984
  853   3HD1  LEU 113          3HD1      LEU 113  13.262   4.224   3.804
  854   1HD2  LEU 113          1HD2      LEU 113  10.541   4.620   6.376
  855   2HD2  LEU 113          2HD2      LEU 113  11.544   3.411   5.574
  856   3HD2  LEU 113          3HD2      LEU 113  10.308   4.278   4.661
  857    H    ALA 114           H        ALA 114  14.973   4.706   7.512
  858    HA   ALA 114           HA       ALA 114  16.055   6.483   9.573
  859   1HB   ALA 114          1HB       ALA 114  17.106   4.643  10.801
  860   2HB   ALA 114          2HB       ALA 114  16.305   3.479   9.745
  861   3HB   ALA 114          3HB       ALA 114  15.348   4.507  10.811
  862    H    LEU 115           H        LEU 115  16.581   4.340   6.847
  863    HA   LEU 115           HA       LEU 115  19.454   4.450   6.953
  864   1HB   LEU 115          2HB       LEU 115  17.611   3.501   4.757
  865   2HB   LEU 115          1HB       LEU 115  19.352   3.283   4.775
  866    HG   LEU 115           HG       LEU 115  17.395   2.074   6.742
  867   1HD1  LEU 115          1HD1      LEU 115  19.035   0.801   4.548
  868   2HD1  LEU 115          2HD1      LEU 115  17.285   1.028   4.546
  869   3HD1  LEU 115          3HD1      LEU 115  18.031  -0.057   5.718
  870   1HD2  LEU 115          1HD2      LEU 115  19.322   0.860   7.634
  871   2HD2  LEU 115          2HD2      LEU 115  19.532   2.601   7.811
  872   3HD2  LEU 115          3HD2      LEU 115  20.392   1.734   6.538
  873    H    GLU 116           H        GLU 116  20.864   5.573   5.745
  874    HA   GLU 116           HA       GLU 116  21.804   7.164   4.485
  875   1HB   GLU 116          2HB       GLU 116  20.793   6.016   2.602
  876   2HB   GLU 116          1HB       GLU 116  19.299   6.922   2.813
  877   1HG   GLU 116          2HG       GLU 116  20.355   8.969   2.189
  878   2HG   GLU 116          1HG       GLU 116  21.950   8.228   2.220
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1  13.629  -1.485   8.124
    2   2H    MET   1          2H        MET   1  12.231  -1.270   9.048
    3   3H    MET   1          3H        MET   1  12.142  -1.234   7.362
    4    HA   MET   1           HA       MET   1  12.771  -3.542   7.218
    5   1HB   MET   1          2HB       MET   1  14.156  -3.660   9.225
    6   2HB   MET   1          1HB       MET   1  12.748  -3.400  10.246
    7   1HG   MET   1          2HG       MET   1  11.808  -5.537   9.449
    8   2HG   MET   1          1HG       MET   1  13.269  -5.801   8.497
    9   1HE   MET   1          1HE       MET   1  13.436  -8.190   9.720
   10   2HE   MET   1          2HE       MET   1  12.041  -7.830  10.736
   11   3HE   MET   1          3HE       MET   1  13.545  -8.382  11.470
   12    H    THR   2           H        THR   2  10.768  -2.896  10.111
   13    HA   THR   2           HA       THR   2   8.651  -4.581   9.163
   14    HB   THR   2           HB       THR   2   8.628  -2.649  11.502
   15    HG1  THR   2           HG1      THR   2   9.217  -5.448  11.513
   16   1HG2  THR   2          1HG2      THR   2   6.889  -4.143  12.409
   17   2HG2  THR   2          2HG2      THR   2   6.921  -5.080  10.915
   18   3HG2  THR   2          3HG2      THR   2   6.384  -3.400  10.892
   19    H    LEU   3           H        LEU   3   9.348  -1.210   8.833
   20    HA   LEU   3           HA       LEU   3   6.650  -0.334   8.410
   21   1HB   LEU   3          2HB       LEU   3   9.278   0.974   7.690
   22   2HB   LEU   3          1HB       LEU   3   7.709   1.750   7.564
   23    HG   LEU   3           HG       LEU   3   9.009   0.804  10.125
   24   1HD1  LEU   3          1HD1      LEU   3   9.204   3.175  10.659
   25   2HD1  LEU   3          2HD1      LEU   3   8.533   3.596   9.083
   26   3HD1  LEU   3          3HD1      LEU   3  10.093   2.780   9.188
   27   1HD2  LEU   3          1HD2      LEU   3   7.151   1.901  11.262
   28   2HD2  LEU   3          2HD2      LEU   3   6.568   0.611  10.211
   29   3HD2  LEU   3          3HD2      LEU   3   6.415   2.296   9.708
   30    H    ILE   4           H        ILE   4   5.632  -1.440   6.783
   31    HA   ILE   4           HA       ILE   4   6.839  -1.305   4.095
   32    HB   ILE   4           HB       ILE   4   5.109  -2.943   3.412
   33   1HG1  ILE   4          2HG1      ILE   4   4.423  -2.922   6.366
   34   2HG1  ILE   4          1HG1      ILE   4   3.364  -2.477   5.031
   35   1HG2  ILE   4          1HG2      ILE   4   6.123  -4.880   4.529
   36   2HG2  ILE   4          2HG2      ILE   4   6.823  -3.812   5.745
   37   3HG2  ILE   4          3HG2      ILE   4   7.341  -3.693   4.063
   38   1HD1  ILE   4          1HD1      ILE   4   2.777  -4.654   5.874
   39   2HD1  ILE   4          2HD1      ILE   4   4.426  -5.228   5.633
   40   3HD1  ILE   4          3HD1      ILE   4   3.429  -4.805   4.242
   41    H    TYR   5           H        TYR   5   5.703  -0.378   2.353
   42    HA   TYR   5           HA       TYR   5   3.510   1.428   3.168
   43   1HB   TYR   5          2HB       TYR   5   5.909   2.096   1.443
   44   2HB   TYR   5          1HB       TYR   5   4.536   3.167   1.705
   45    HD1  TYR   5           HD1      TYR   5   7.464   1.582   3.327
   46    HD2  TYR   5           HD2      TYR   5   4.313   4.418   3.732
   47    HE1  TYR   5           HE1      TYR   5   8.552   2.501   5.337
   48    HE2  TYR   5           HE2      TYR   5   5.391   5.339   5.739
   49    HH   TYR   5           HH       TYR   5   7.034   4.433   7.527
   50    H    LYS   6           H        LYS   6   2.009   2.031   1.578
   51    HA   LYS   6           HA       LYS   6   2.302   0.957  -1.121
   52   1HB   LYS   6          2HB       LYS   6   1.118  -0.798   0.184
   53   2HB   LYS   6          1HB       LYS   6  -0.141   0.366   0.571
   54   1HG   LYS   6          2HG       LYS   6  -0.751   0.542  -1.766
   55   2HG   LYS   6          1HG       LYS   6   0.581  -0.524  -2.220
   56   1HD   LYS   6          2HD       LYS   6  -0.450  -2.337  -0.899
   57   2HD   LYS   6          1HD       LYS   6  -1.793  -1.266  -0.498
   58   1HE   LYS   6          2HE       LYS   6  -2.360  -2.792  -2.327
   59   2HE   LYS   6          1HE       LYS   6  -2.395  -1.109  -2.851
   60   1HZ   LYS   6          1HZ       LYS   6  -0.031  -2.847  -3.263
   61   2HZ   LYS   6          2HZ       LYS   6  -0.392  -1.371  -4.014
   62   3HZ   LYS   6          3HZ       LYS   6  -1.292  -2.752  -4.385
   63    H    ILE   7           H        ILE   7   2.167   2.795  -2.246
   64    HA   ILE   7           HA       ILE   7   0.352   4.932  -1.425
   65    HB   ILE   7           HB       ILE   7   2.379   4.877  -3.680
   66   1HG1  ILE   7          2HG1      ILE   7   2.582   6.098  -0.907
   67   2HG1  ILE   7          1HG1      ILE   7   3.408   4.637  -1.433
   68   1HG2  ILE   7          1HG2      ILE   7   0.599   6.516  -4.056
   69   2HG2  ILE   7          2HG2      ILE   7   2.129   7.316  -3.704
   70   3HG2  ILE   7          3HG2      ILE   7   0.885   7.209  -2.458
   71   1HD1  ILE   7          1HD1      ILE   7   4.904   6.537  -1.432
   72   2HD1  ILE   7          2HD1      ILE   7   3.838   7.403  -2.537
   73   3HD1  ILE   7          3HD1      ILE   7   4.663   5.937  -3.072
   74    H    LEU   8           H        LEU   8  -1.458   5.555  -2.537
   75    HA   LEU   8           HA       LEU   8  -1.958   4.627  -5.240
   76   1HB   LEU   8          2HB       LEU   8  -3.959   3.415  -4.822
   77   2HB   LEU   8          1HB       LEU   8  -2.736   2.750  -3.760
   78    HG   LEU   8           HG       LEU   8  -4.938   4.656  -2.928
   79   1HD1  LEU   8          1HD1      LEU   8  -5.803   2.451  -3.464
   80   2HD1  LEU   8          2HD1      LEU   8  -5.852   2.725  -1.722
   81   3HD1  LEU   8          3HD1      LEU   8  -4.596   1.700  -2.419
   82   1HD2  LEU   8          1HD2      LEU   8  -2.948   4.981  -1.563
   83   2HD2  LEU   8          2HD2      LEU   8  -2.852   3.247  -1.257
   84   3HD2  LEU   8          3HD2      LEU   8  -4.212   4.180  -0.631
   85    H    SER   9           H        SER   9  -4.228   5.403  -5.961
   86    HA   SER   9           HA       SER   9  -4.386   8.220  -5.400
   87   1HB   SER   9          2HB       SER   9  -6.130   8.290  -7.097
   88   2HB   SER   9          1HB       SER   9  -4.792   7.297  -7.670
   89    HG   SER   9           HG       SER   9  -6.021   5.554  -7.593
   90    H    ARG  10           H        ARG  10  -6.060   9.371  -4.450
   91    HA   ARG  10           HA       ARG  10  -7.212   8.398  -2.146
   92   1HB   ARG  10          2HB       ARG  10  -7.189  10.846  -3.547
   93   2HB   ARG  10          1HB       ARG  10  -8.885  10.485  -3.283
   94   1HG   ARG  10          2HG       ARG  10  -6.764  10.638  -1.139
   95   2HG   ARG  10          1HG       ARG  10  -7.959  11.882  -1.504
   96   1HD   ARG  10          2HD       ARG  10  -9.755  10.275  -0.944
   97   2HD   ARG  10          1HD       ARG  10  -8.526   9.088  -0.506
   98    HE   ARG  10           HE       ARG  10  -7.906  11.212   1.050
   99   1HH1  ARG  10          1HH1      ARG  10 -10.818   9.451   0.500
  100   2HH1  ARG  10          2HH1      ARG  10 -11.426   9.755   2.091
  101   1HH2  ARG  10          1HH2      ARG  10  -8.706  11.593   3.091
  102   2HH2  ARG  10          2HH2      ARG  10 -10.250  10.957   3.541
  103    H    ALA  11           H        ALA  11  -8.664   8.546  -5.382
  104    HA   ALA  11           HA       ALA  11 -11.274   7.783  -4.716
  105   1HB   ALA  11          1HB       ALA  11 -11.514   7.170  -7.073
  106   2HB   ALA  11          2HB       ALA  11  -9.762   7.249  -7.273
  107   3HB   ALA  11          3HB       ALA  11 -10.673   8.710  -6.887
  108    H    GLU  12           H        GLU  12  -8.557   5.706  -5.796
  109    HA   GLU  12           HA       GLU  12 -10.009   3.279  -5.587
  110   1HB   GLU  12          2HB       GLU  12  -7.023   3.790  -5.584
  111   2HB   GLU  12          1HB       GLU  12  -7.753   2.193  -5.707
  112   1HG   GLU  12          2HG       GLU  12  -8.858   2.848  -7.787
  113   2HG   GLU  12          1HG       GLU  12  -8.144   4.454  -7.665
  114    H    TRP  13           H        TRP  13  -8.163   5.144  -3.263
  115    HA   TRP  13           HA       TRP  13  -8.088   3.162  -1.222
  116   1HB   TRP  13          2HB       TRP  13  -6.563   5.063  -1.214
  117   2HB   TRP  13          1HB       TRP  13  -7.910   6.180  -1.058
  118    HD1  TRP  13           HD1      TRP  13  -7.329   7.218   1.227
  119    HE1  TRP  13           HE1      TRP  13  -7.149   6.327   3.639
  120    HE3  TRP  13           HE3      TRP  13  -7.546   2.192   0.270
  121    HZ2  TRP  13           HZ2      TRP  13  -7.112   3.845   4.950
  122    HZ3  TRP  13           HZ3      TRP  13  -7.435   0.631   2.167
  123    HH2  TRP  13           HH2      TRP  13  -7.220   1.443   4.458
  124    H    ASP  14           H        ASP  14 -10.321   5.907  -1.818
  125    HA   ASP  14           HA       ASP  14 -12.138   5.336   0.246
  126   1HB   ASP  14          2HB       ASP  14 -12.387   6.738  -2.400
  127   2HB   ASP  14          1HB       ASP  14 -13.827   6.430  -1.435
  128    H    ALA  15           H        ALA  15 -11.794   3.938  -2.979
  129    HA   ALA  15           HA       ALA  15 -14.161   2.437  -3.085
  130   1HB   ALA  15          1HB       ALA  15 -12.645   2.718  -5.001
  131   2HB   ALA  15          2HB       ALA  15 -13.011   1.019  -4.703
  132   3HB   ALA  15          3HB       ALA  15 -11.455   1.687  -4.207
  133    H    ALA  16           H        ALA  16 -10.999   1.649  -1.656
  134    HA   ALA  16           HA       ALA  16 -11.629  -0.922  -0.695
  135   1HB   ALA  16          1HB       ALA  16  -9.766  -0.621   0.859
  136   2HB   ALA  16          2HB       ALA  16  -9.736   1.107   0.500
  137   3HB   ALA  16          3HB       ALA  16  -9.342  -0.064  -0.760
  138    H    LYS  17           H        LYS  17 -11.875   2.249   0.953
  139    HA   LYS  17           HA       LYS  17 -12.954   1.336   3.374
  140   1HB   LYS  17          2HB       LYS  17 -13.481   3.973   1.976
  141   2HB   LYS  17          1HB       LYS  17 -13.820   3.636   3.667
  142   1HG   LYS  17          2HG       LYS  17 -11.395   3.247   4.032
  143   2HG   LYS  17          1HG       LYS  17 -11.107   3.722   2.356
  144   1HD   LYS  17          2HD       LYS  17 -12.150   5.925   2.847
  145   2HD   LYS  17          1HD       LYS  17 -12.311   5.440   4.535
  146   1HE   LYS  17          2HE       LYS  17  -9.864   5.194   4.679
  147   2HE   LYS  17          1HE       LYS  17  -9.723   5.721   3.002
  148   1HZ   LYS  17          1HZ       LYS  17 -10.855   7.818   3.723
  149   2HZ   LYS  17          2HZ       LYS  17  -9.304   7.589   4.354
  150   3HZ   LYS  17          3HZ       LYS  17 -10.659   7.310   5.326
  151    H    ALA  18           H        ALA  18 -14.539   2.117   0.317
  152    HA   ALA  18           HA       ALA  18 -17.219   1.952   1.167
  153   1HB   ALA  18          1HB       ALA  18 -16.526   2.918  -0.979
  154   2HB   ALA  18          2HB       ALA  18 -17.764   1.680  -1.193
  155   3HB   ALA  18          3HB       ALA  18 -16.076   1.312  -1.554
  156    H    GLN  19           H        GLN  19 -15.174  -0.546  -0.384
  157    HA   GLN  19           HA       GLN  19 -17.150  -2.605   0.009
  158   1HB   GLN  19          2HB       GLN  19 -15.409  -4.128  -0.880
  159   2HB   GLN  19          1HB       GLN  19 -15.681  -2.730  -1.912
  160   1HG   GLN  19          2HG       GLN  19 -13.674  -1.662  -0.980
  161   2HG   GLN  19          1HG       GLN  19 -13.395  -3.082   0.023
  162   1HE2  GLN  19          1HE2      GLN  19 -13.302  -1.793  -3.203
  163   2HE2  GLN  19          2HE2      GLN  19 -12.404  -3.087  -3.907
  164    H    GLY  20           H        GLY  20 -14.872  -1.188   2.059
  165   1HA   GLY  20          2HA       GLY  20 -14.470  -1.668   4.301
  166   2HA   GLY  20          1HA       GLY  20 -15.331  -3.188   4.111
  167    H    ARG  21           H        ARG  21 -13.917  -4.388   2.104
  168    HA   ARG  21           HA       ARG  21 -11.340  -4.955   3.356
  169   1HB   ARG  21          2HB       ARG  21 -12.941  -6.389   1.224
  170   2HB   ARG  21          1HB       ARG  21 -11.309  -6.866   1.678
  171   1HG   ARG  21          2HG       ARG  21 -12.078  -7.233   3.986
  172   2HG   ARG  21          1HG       ARG  21 -13.719  -6.815   3.489
  173   1HD   ARG  21          2HD       ARG  21 -12.171  -9.020   2.150
  174   2HD   ARG  21          1HD       ARG  21 -13.092  -9.303   3.624
  175    HE   ARG  21           HE       ARG  21 -15.056  -8.462   2.315
  176   1HH1  ARG  21          1HH1      ARG  21 -12.342  -9.785   0.645
  177   2HH1  ARG  21          2HH1      ARG  21 -13.310 -10.460  -0.611
  178   1HH2  ARG  21          1HH2      ARG  21 -16.281  -9.333   0.690
  179   2HH2  ARG  21          2HH2      ARG  21 -15.510 -10.205  -0.589
  180    H    PHE  22           H        PHE  22  -9.721  -5.743   1.461
  181    HA   PHE  22           HA       PHE  22  -9.743  -3.868  -0.784
  182   1HB   PHE  22          2HB       PHE  22  -8.314  -2.862   0.992
  183   2HB   PHE  22          1HB       PHE  22  -7.317  -4.313   0.987
  184    HD1  PHE  22           HD2      PHE  22  -8.562  -1.647  -1.311
  185    HD2  PHE  22           HD1      PHE  22  -5.432  -4.377  -0.359
  186    HE1  PHE  22           HE2      PHE  22  -7.170  -0.669  -3.087
  187    HE2  PHE  22           HE1      PHE  22  -4.040  -3.402  -2.132
  188    HZ   PHE  22           HZ       PHE  22  -4.906  -1.546  -3.499
  189    H    GLU  23           H        GLU  23 -10.216  -5.512  -2.177
  190    HA   GLU  23           HA       GLU  23  -8.819  -8.001  -2.262
  191   1HB   GLU  23          2HB       GLU  23 -10.390  -6.687  -4.496
  192   2HB   GLU  23          1HB       GLU  23 -10.022  -8.399  -4.327
  193   1HG   GLU  23          2HG       GLU  23 -11.778  -6.806  -2.459
  194   2HG   GLU  23          1HG       GLU  23 -12.355  -7.846  -3.759
  195    H    GLY  24           H        GLY  24  -8.143  -4.851  -3.466
  196   1HA   GLY  24          2HA       GLY  24  -5.639  -4.723  -3.985
  197   2HA   GLY  24          1HA       GLY  24  -6.029  -5.875  -5.252
  198    H    SER  25           H        SER  25  -4.886  -3.189  -5.480
  199    HA   SER  25           HA       SER  25  -6.957  -1.706  -6.924
  200   1HB   SER  25          2HB       SER  25  -5.304   0.049  -7.198
  201   2HB   SER  25          1HB       SER  25  -5.270  -0.485  -5.519
  202    HG   SER  25           HG       SER  25  -3.447  -1.830  -6.144
  203    H    ALA  26           H        ALA  26  -5.652  -0.650  -9.064
  204    HA   ALA  26           HA       ALA  26  -5.966  -2.478 -11.083
  205   1HB   ALA  26          1HB       ALA  26  -5.782  -0.058 -11.419
  206   2HB   ALA  26          2HB       ALA  26  -4.724  -0.948 -12.514
  207   3HB   ALA  26          3HB       ALA  26  -4.049  -0.146 -11.096
  208    H    VAL  27           H        VAL  27  -2.814  -1.559  -9.658
  209    HA   VAL  27           HA       VAL  27  -1.216  -3.279 -11.187
  210    HB   VAL  27           HB       VAL  27  -0.701  -2.261  -8.381
  211   1HG1  VAL  27          1HG1      VAL  27   1.690  -2.574  -8.936
  212   2HG1  VAL  27          2HG1      VAL  27   1.218  -3.360 -10.443
  213   3HG1  VAL  27          3HG1      VAL  27   0.798  -4.095  -8.895
  214   1HG2  VAL  27          1HG2      VAL  27  -1.139  -0.439  -9.926
  215   2HG2  VAL  27          2HG2      VAL  27   0.038  -1.089 -11.068
  216   3HG2  VAL  27          3HG2      VAL  27   0.574  -0.473  -9.504
  217    H    ASP  28           H        ASP  28  -2.472  -3.771  -7.883
  218    HA   ASP  28           HA       ASP  28  -1.311  -6.262  -7.392
  219   1HB   ASP  28          2HB       ASP  28  -3.983  -5.363  -6.300
  220   2HB   ASP  28          1HB       ASP  28  -2.815  -6.438  -5.539
  221    H    LEU  29           H        LEU  29  -4.563  -5.512  -8.646
  222    HA   LEU  29           HA       LEU  29  -5.345  -8.234  -8.982
  223   1HB   LEU  29          2HB       LEU  29  -6.451  -5.700 -10.203
  224   2HB   LEU  29          1HB       LEU  29  -7.206  -7.274 -10.341
  225    HG   LEU  29           HG       LEU  29  -6.775  -5.744  -7.764
  226   1HD1  LEU  29          1HD1      LEU  29  -8.511  -4.773  -9.205
  227   2HD1  LEU  29          2HD1      LEU  29  -9.187  -5.476  -7.738
  228   3HD1  LEU  29          3HD1      LEU  29  -9.326  -6.335  -9.272
  229   1HD2  LEU  29          1HD2      LEU  29  -8.184  -8.378  -8.238
  230   2HD2  LEU  29          2HD2      LEU  29  -8.101  -7.503  -6.708
  231   3HD2  LEU  29          3HD2      LEU  29  -6.634  -8.167  -7.424
  232    H    ALA  30           H        ALA  30  -3.368  -6.130 -10.859
  233    HA   ALA  30           HA       ALA  30  -3.739  -7.374 -13.399
  234   1HB   ALA  30          1HB       ALA  30  -2.775  -5.136 -13.181
  235   2HB   ALA  30          2HB       ALA  30  -1.699  -6.216 -14.067
  236   3HB   ALA  30          3HB       ALA  30  -1.359  -5.818 -12.383
  237    H    ASP  31           H        ASP  31  -1.087  -7.730 -10.972
  238    HA   ASP  31           HA       ASP  31  -0.005  -9.970 -12.454
  239   1HB   ASP  31          2HB       ASP  31   1.670 -10.114 -10.644
  240   2HB   ASP  31          1HB       ASP  31   1.539  -8.497 -11.324
  241    H    GLY  32           H        GLY  32  -1.530  -9.690  -9.201
  242   1HA   GLY  32          2HA       GLY  32  -3.208 -11.800  -9.283
  243   2HA   GLY  32          1HA       GLY  32  -1.669 -12.597  -9.017
  244    H    PHE  33           H        PHE  33  -0.623 -10.461  -7.264
  245    HA   PHE  33           HA       PHE  33  -2.406 -10.775  -4.929
  246   1HB   PHE  33          2HB       PHE  33   0.559 -11.368  -5.002
  247   2HB   PHE  33          1HB       PHE  33  -0.340 -11.139  -3.512
  248    HD1  PHE  33           HD2      PHE  33  -2.516 -12.645  -3.312
  249    HD2  PHE  33           HD1      PHE  33   0.854 -13.527  -5.771
  250    HE1  PHE  33           HE2      PHE  33  -3.122 -15.028  -3.283
  251    HE2  PHE  33           HE1      PHE  33   0.249 -15.911  -5.741
  252    HZ   PHE  33           HZ       PHE  33  -1.737 -16.663  -4.496
  253    H    ILE  34           H        ILE  34  -2.018  -9.278  -3.182
  254    HA   ILE  34           HA       ILE  34  -1.680  -6.624  -4.147
  255    HB   ILE  34           HB       ILE  34  -2.017  -7.636  -1.317
  256   1HG1  ILE  34          2HG1      ILE  34  -4.021  -6.512  -3.304
  257   2HG1  ILE  34          1HG1      ILE  34  -3.884  -8.202  -2.829
  258   1HG2  ILE  34          1HG2      ILE  34  -2.294  -4.827  -2.402
  259   2HG2  ILE  34          2HG2      ILE  34  -1.020  -5.404  -1.326
  260   3HG2  ILE  34          3HG2      ILE  34  -2.689  -5.337  -0.759
  261   1HD1  ILE  34          1HD1      ILE  34  -4.518  -7.621  -0.554
  262   2HD1  ILE  34          2HD1      ILE  34  -5.739  -7.102  -1.716
  263   3HD1  ILE  34          3HD1      ILE  34  -4.632  -5.923  -1.015
  264    H    HIS  35           H        HIS  35   0.175  -5.675  -4.519
  265    HA   HIS  35           HA       HIS  35   2.647  -6.506  -3.281
  266   1HB   HIS  35          2HB       HIS  35   2.005  -4.327  -5.283
  267   2HB   HIS  35          1HB       HIS  35   3.631  -4.679  -4.708
  268    HD1  HIS  35           HD1      HIS  35   3.935  -5.096  -7.388
  269    HD2  HIS  35           HD2      HIS  35   1.775  -7.931  -5.266
  270    HE1  HIS  35           HE1      HIS  35   3.928  -7.147  -8.826
  271    HE2  HIS  35           HE2      HIS  35   2.371  -8.724  -7.643
  272    H    LEU  36           H        LEU  36   3.443  -5.736  -1.461
  273    HA   LEU  36           HA       LEU  36   2.707  -3.032  -0.544
  274   1HB   LEU  36          2HB       LEU  36   3.823  -5.369   1.029
  275   2HB   LEU  36          1HB       LEU  36   3.404  -3.799   1.696
  276    HG   LEU  36           HG       LEU  36   1.432  -5.714   0.421
  277   1HD1  LEU  36          1HD1      LEU  36   0.641  -6.192   2.641
  278   2HD1  LEU  36          2HD1      LEU  36   1.810  -5.076   3.345
  279   3HD1  LEU  36          3HD1      LEU  36   2.365  -6.553   2.555
  280   1HD2  LEU  36          1HD2      LEU  36   0.726  -3.411   0.184
  281   2HD2  LEU  36          2HD2      LEU  36   1.024  -3.108   1.895
  282   3HD2  LEU  36          3HD2      LEU  36  -0.266  -4.209   1.405
  283    H    SER  37           H        SER  37   4.214  -1.557  -1.032
  284    HA   SER  37           HA       SER  37   6.852  -2.355  -1.873
  285   1HB   SER  37          2HB       SER  37   5.658   0.416  -1.596
  286   2HB   SER  37          1HB       SER  37   7.165   0.017  -2.420
  287    HG   SER  37           HG       SER  37   6.070  -0.632  -4.095
  288    H    ALA  38           H        ALA  38   8.292  -2.894  -0.353
  289    HA   ALA  38           HA       ALA  38   8.308  -1.806   2.290
  290   1HB   ALA  38          1HB       ALA  38  10.374  -3.512   0.907
  291   2HB   ALA  38          2HB       ALA  38   8.993  -4.104   1.832
  292   3HB   ALA  38          3HB       ALA  38  10.275  -3.203   2.641
  293    H    GLY  39           H        GLY  39   8.753   0.353   2.397
  294   1HA   GLY  39          2HA       GLY  39  10.003   2.284   2.451
  295   2HA   GLY  39          1HA       GLY  39  11.317   1.189   2.822
  296    H    GLU  40           H        GLU  40  12.845   0.721   1.268
  297    HA   GLU  40           HA       GLU  40  13.559   2.658  -0.569
  298   1HB   GLU  40          2HB       GLU  40  14.271  -0.275  -0.806
  299   2HB   GLU  40          1HB       GLU  40  15.199   1.095  -1.404
  300   1HG   GLU  40          2HG       GLU  40  15.640   1.818   0.886
  301   2HG   GLU  40          1HG       GLU  40  14.676   0.481   1.507
  302    H    GLN  41           H        GLN  41  11.780  -0.351  -1.149
  303    HA   GLN  41           HA       GLN  41  11.551  -0.153  -3.956
  304   1HB   GLN  41          2HB       GLN  41  11.107  -2.222  -2.692
  305   2HB   GLN  41          1HB       GLN  41   9.686  -1.477  -1.973
  306   1HG   GLN  41          2HG       GLN  41   8.728  -1.257  -4.265
  307   2HG   GLN  41          1HG       GLN  41  10.102  -2.180  -4.872
  308   1HE2  GLN  41          1HE2      GLN  41  10.173  -3.893  -2.475
  309   2HE2  GLN  41          2HE2      GLN  41   8.844  -4.974  -2.649
  310    H    ALA  42           H        ALA  42   9.602   1.146  -1.329
  311    HA   ALA  42           HA       ALA  42   7.342   1.922  -2.807
  312   1HB   ALA  42          1HB       ALA  42   6.834   3.408  -0.917
  313   2HB   ALA  42          2HB       ALA  42   8.455   3.137  -0.276
  314   3HB   ALA  42          3HB       ALA  42   7.312   1.798  -0.377
  315    H    GLN  43           H        GLN  43  10.304   3.743  -1.996
  316    HA   GLN  43           HA       GLN  43   9.489   6.123  -3.312
  317   1HB   GLN  43          2HB       GLN  43  11.259   6.191  -1.655
  318   2HB   GLN  43          1HB       GLN  43  12.268   5.135  -2.634
  319   1HG   GLN  43          2HG       GLN  43  12.615   6.811  -4.268
  320   2HG   GLN  43          1HG       GLN  43  11.332   7.822  -3.611
  321   1HE2  GLN  43          1HE2      GLN  43  11.740   9.088  -1.827
  322   2HE2  GLN  43          2HE2      GLN  43  13.334   9.356  -1.215
  323    H    GLU  44           H        GLU  44  11.285   3.271  -4.434
  324    HA   GLU  44           HA       GLU  44  11.943   4.218  -7.001
  325   1HB   GLU  44          2HB       GLU  44  12.906   2.154  -6.117
  326   2HB   GLU  44          1HB       GLU  44  11.322   1.391  -6.099
  327   1HG   GLU  44          2HG       GLU  44  11.227   1.576  -8.556
  328   2HG   GLU  44          1HG       GLU  44  12.843   2.279  -8.550
  329    H    THR  45           H        THR  45   9.164   2.145  -6.058
  330    HA   THR  45           HA       THR  45   7.769   2.283  -8.479
  331    HB   THR  45           HB       THR  45   6.583   2.055  -5.696
  332    HG1  THR  45           HG1      THR  45   7.049  -0.083  -7.499
  333   1HG2  THR  45          1HG2      THR  45   4.883   2.641  -7.368
  334   2HG2  THR  45          2HG2      THR  45   4.675   0.978  -6.820
  335   3HG2  THR  45          3HG2      THR  45   5.415   1.303  -8.388
  336    H    ALA  46           H        ALA  46   7.733   4.498  -5.720
  337    HA   ALA  46           HA       ALA  46   5.606   6.132  -6.641
  338   1HB   ALA  46          1HB       ALA  46   6.298   7.702  -4.933
  339   2HB   ALA  46          2HB       ALA  46   7.843   6.869  -4.757
  340   3HB   ALA  46          3HB       ALA  46   6.348   6.056  -4.297
  341    H    ALA  47           H        ALA  47   9.127   6.310  -7.082
  342    HA   ALA  47           HA       ALA  47   9.074   8.857  -8.403
  343   1HB   ALA  47          1HB       ALA  47  11.055   8.081  -7.201
  344   2HB   ALA  47          2HB       ALA  47  11.431   8.435  -8.886
  345   3HB   ALA  47          3HB       ALA  47  11.249   6.762  -8.355
  346    H    LYS  48           H        LYS  48   8.522   5.619  -9.420
  347    HA   LYS  48           HA       LYS  48   8.925   6.236 -12.249
  348   1HB   LYS  48          2HB       LYS  48   9.666   4.055 -11.423
  349   2HB   LYS  48          1HB       LYS  48   8.037   3.692 -10.866
  350   1HG   LYS  48          2HG       LYS  48   7.240   3.748 -13.191
  351   2HG   LYS  48          1HG       LYS  48   8.887   4.082 -13.737
  352   1HD   LYS  48          2HD       LYS  48   9.625   1.939 -12.778
  353   2HD   LYS  48          1HD       LYS  48   7.970   1.607 -12.258
  354   1HE   LYS  48          2HE       LYS  48   8.488   0.427 -14.332
  355   2HE   LYS  48          1HE       LYS  48   7.231   1.634 -14.595
  356   1HZ   LYS  48          1HZ       LYS  48   8.867   3.112 -15.540
  357   2HZ   LYS  48          2HZ       LYS  48   8.910   1.630 -16.352
  358   3HZ   LYS  48          3HZ       LYS  48  10.109   2.006 -15.224
  359    H    TRP  49           H        TRP  49   6.258   4.984 -10.228
  360    HA   TRP  49           HA       TRP  49   4.341   5.434 -12.353
  361   1HB   TRP  49          2HB       TRP  49   3.965   4.344  -9.558
  362   2HB   TRP  49          1HB       TRP  49   2.735   4.364 -10.816
  363    HD1  TRP  49           HD1      TRP  49   6.111   2.681  -9.993
  364    HE1  TRP  49           HE1      TRP  49   6.240   0.454 -11.271
  365    HE3  TRP  49           HE3      TRP  49   1.841   3.104 -12.777
  366    HZ2  TRP  49           HZ2      TRP  49   4.737  -0.934 -13.213
  367    HZ3  TRP  49           HZ3      TRP  49   1.259   1.280 -14.324
  368    HH2  TRP  49           HH2      TRP  49   2.679  -0.699 -14.537
  369    H    PHE  50           H        PHE  50   4.681   6.545  -8.964
  370    HA   PHE  50           HA       PHE  50   2.414   8.360  -9.334
  371   1HB   PHE  50          2HB       PHE  50   3.963   7.696  -6.814
  372   2HB   PHE  50          1HB       PHE  50   2.444   8.583  -6.901
  373    HD1  PHE  50           HD1      PHE  50   0.376   7.386  -7.706
  374    HD2  PHE  50           HD2      PHE  50   3.993   5.335  -6.755
  375    HE1  PHE  50           HE1      PHE  50  -0.868   5.273  -7.537
  376    HE2  PHE  50           HE2      PHE  50   2.748   3.223  -6.584
  377    HZ   PHE  50           HZ       PHE  50   0.317   3.188  -6.980
  378    H    ARG  51           H        ARG  51   5.294   8.823 -10.326
  379    HA   ARG  51           HA       ARG  51   6.411  10.966  -8.871
  380   1HB   ARG  51          2HB       ARG  51   7.680   9.583 -10.454
  381   2HB   ARG  51          1HB       ARG  51   6.740  10.221 -11.789
  382   1HG   ARG  51          2HG       ARG  51   8.335  12.071 -10.053
  383   2HG   ARG  51          1HG       ARG  51   9.123  11.137 -11.323
  384   1HD   ARG  51          2HD       ARG  51   6.942  13.202 -11.621
  385   2HD   ARG  51          1HD       ARG  51   8.589  13.262 -12.253
  386    HE   ARG  51           HE       ARG  51   6.334  11.786 -13.349
  387   1HH1  ARG  51          1HH1      ARG  51   9.727  12.409 -13.453
  388   2HH1  ARG  51          2HH1      ARG  51   9.925  11.674 -15.004
  389   1HH2  ARG  51          1HH2      ARG  51   6.593  10.865 -15.341
  390   2HH2  ARG  51          2HH2      ARG  51   8.166  10.803 -16.065
  391    H    GLY  52           H        GLY  52   5.478  12.882  -8.536
  392   1HA   GLY  52          2HA       GLY  52   4.573  14.947  -8.976
  393   2HA   GLY  52          1HA       GLY  52   4.850  14.633 -10.679
  394    H    GLN  53           H        GLN  53   2.819  12.468  -8.826
  395    HA   GLN  53           HA       GLN  53   0.483  13.441 -10.326
  396   1HB   GLN  53          2HB       GLN  53   0.903  10.840  -8.832
  397   2HB   GLN  53          1HB       GLN  53  -0.575  11.287  -9.674
  398   1HG   GLN  53          2HG       GLN  53   0.771  11.455 -11.779
  399   2HG   GLN  53          1HG       GLN  53   2.137  10.789 -10.888
  400   1HE2  GLN  53          1HE2      GLN  53   0.397   9.009  -9.312
  401   2HE2  GLN  53          2HE2      GLN  53  -0.051   7.734 -10.383
  402    H    ALA  54           H        ALA  54  -1.644  13.399  -9.183
  403    HA   ALA  54           HA       ALA  54  -1.350  14.503  -6.455
  404   1HB   ALA  54          1HB       ALA  54  -3.396  15.763  -6.882
  405   2HB   ALA  54          2HB       ALA  54  -3.531  15.026  -8.478
  406   3HB   ALA  54          3HB       ALA  54  -2.181  16.100  -8.115
  407    H    ASN  55           H        ASN  55  -3.514  14.338  -5.173
  408    HA   ASN  55           HA       ASN  55  -4.996  13.060  -4.018
  409   1HB   ASN  55          2HB       ASN  55  -5.268  11.602  -6.660
  410   2HB   ASN  55          1HB       ASN  55  -6.320  11.349  -5.272
  411   1HD2  ASN  55          1HD2      ASN  55  -5.476  13.460  -7.870
  412   2HD2  ASN  55          2HD2      ASN  55  -6.809  14.544  -7.686
  413    H    LEU  56           H        LEU  56  -2.138  12.298  -4.070
  414    HA   LEU  56           HA       LEU  56  -2.134   9.388  -4.028
  415   1HB   LEU  56          2HB       LEU  56   0.113  11.348  -3.546
  416   2HB   LEU  56          1HB       LEU  56   0.291   9.609  -3.706
  417    HG   LEU  56           HG       LEU  56  -0.633  11.509  -5.872
  418   1HD1  LEU  56          1HD1      LEU  56   1.471  10.893  -6.977
  419   2HD1  LEU  56          2HD1      LEU  56   1.929   9.937  -5.567
  420   3HD1  LEU  56          3HD1      LEU  56   1.751  11.687  -5.428
  421   1HD2  LEU  56          1HD2      LEU  56  -0.217   8.517  -5.968
  422   2HD2  LEU  56          2HD2      LEU  56  -0.571   9.551  -7.351
  423   3HD2  LEU  56          3HD2      LEU  56  -1.765   9.358  -6.070
  424    H    VAL  57           H        VAL  57  -2.859   8.411  -2.238
  425    HA   VAL  57           HA       VAL  57  -2.158   9.482   0.411
  426    HB   VAL  57           HB       VAL  57  -3.995   7.161  -0.260
  427   1HG1  VAL  57          1HG1      VAL  57  -4.760   7.387   2.077
  428   2HG1  VAL  57          2HG1      VAL  57  -3.541   8.632   2.350
  429   3HG1  VAL  57          3HG1      VAL  57  -3.047   6.980   1.987
  430   1HG2  VAL  57          1HG2      VAL  57  -5.838   8.693   0.243
  431   2HG2  VAL  57          2HG2      VAL  57  -4.878   9.285  -1.113
  432   3HG2  VAL  57          3HG2      VAL  57  -4.690  10.010   0.485
  433    H    LEU  58           H        LEU  58  -0.768   8.463   1.761
  434    HA   LEU  58           HA       LEU  58   0.700   6.158   0.688
  435   1HB   LEU  58          2HB       LEU  58   2.073   8.102   1.080
  436   2HB   LEU  58          1HB       LEU  58   1.465   8.272   2.713
  437    HG   LEU  58           HG       LEU  58   2.889   5.729   2.057
  438   1HD1  LEU  58          1HD1      LEU  58   4.323   7.379   0.985
  439   2HD1  LEU  58          2HD1      LEU  58   5.080   6.766   2.455
  440   3HD1  LEU  58          3HD1      LEU  58   4.322   8.359   2.451
  441   1HD2  LEU  58          1HD2      LEU  58   3.729   6.031   4.354
  442   2HD2  LEU  58          2HD2      LEU  58   1.970   6.078   4.289
  443   3HD2  LEU  58          3HD2      LEU  58   2.884   7.577   4.453
  444    H    LEU  59           H        LEU  59  -0.205   4.314   1.411
  445    HA   LEU  59           HA       LEU  59  -1.260   4.114   4.106
  446   1HB   LEU  59          2HB       LEU  59  -0.940   1.941   2.026
  447   2HB   LEU  59          1HB       LEU  59  -1.892   1.847   3.497
  448    HG   LEU  59           HG       LEU  59  -2.452   3.603   1.101
  449   1HD1  LEU  59          1HD1      LEU  59  -3.946   1.239   2.239
  450   2HD1  LEU  59          2HD1      LEU  59  -3.012   1.263   0.743
  451   3HD1  LEU  59          3HD1      LEU  59  -4.474   2.238   0.883
  452   1HD2  LEU  59          1HD2      LEU  59  -3.980   3.385   3.700
  453   2HD2  LEU  59          2HD2      LEU  59  -4.481   4.300   2.277
  454   3HD2  LEU  59          3HD2      LEU  59  -3.036   4.776   3.166
  455    H    ALA  60           H        ALA  60   0.180   3.983   5.702
  456    HA   ALA  60           HA       ALA  60   2.608   2.355   5.348
  457   1HB   ALA  60          1HB       ALA  60   1.959   4.440   7.436
  458   2HB   ALA  60          2HB       ALA  60   3.006   4.655   6.034
  459   3HB   ALA  60          3HB       ALA  60   3.474   3.544   7.321
  460    H    VAL  61           H        VAL  61   2.550   0.348   6.151
  461    HA   VAL  61           HA       VAL  61   0.802  -0.179   8.477
  462    HB   VAL  61           HB       VAL  61   1.577  -2.136   6.296
  463   1HG1  VAL  61          1HG1      VAL  61  -0.098  -3.615   7.344
  464   2HG1  VAL  61          2HG1      VAL  61  -0.314  -2.436   8.637
  465   3HG1  VAL  61          3HG1      VAL  61   1.240  -3.246   8.433
  466   1HG2  VAL  61          1HG2      VAL  61   0.037  -0.486   5.412
  467   2HG2  VAL  61          2HG2      VAL  61  -1.042  -0.706   6.790
  468   3HG2  VAL  61          3HG2      VAL  61  -0.810  -2.018   5.637
  469    H    GLU  62           H        GLU  62   2.024  -0.398  10.268
  470    HA   GLU  62           HA       GLU  62   4.642  -1.512  10.303
  471   1HB   GLU  62          2HB       GLU  62   2.581  -1.093  12.484
  472   2HB   GLU  62          1HB       GLU  62   4.153  -1.813  12.803
  473   1HG   GLU  62          2HG       GLU  62   4.539   0.379  13.352
  474   2HG   GLU  62          1HG       GLU  62   5.087   0.341  11.681
  475    H    ALA  63           H        ALA  63   4.828  -3.454   9.361
  476    HA   ALA  63           HA       ALA  63   2.954  -5.327   8.826
  477   1HB   ALA  63          1HB       ALA  63   5.851  -5.946   9.396
  478   2HB   ALA  63          2HB       ALA  63   5.216  -5.300   7.882
  479   3HB   ALA  63          3HB       ALA  63   4.742  -6.912   8.419
  480    H    GLU  64           H        GLU  64   5.271  -5.861  11.520
  481    HA   GLU  64           HA       GLU  64   5.188  -7.200  13.358
  482   1HB   GLU  64          2HB       GLU  64   2.189  -6.920  13.015
  483   2HB   GLU  64          1HB       GLU  64   2.975  -7.602  14.430
  484   1HG   GLU  64          2HG       GLU  64   3.360  -4.775  13.458
  485   2HG   GLU  64          1HG       GLU  64   2.221  -5.258  14.712
  486    HA   PRO  65           HA       PRO  65   4.763 -11.386  11.835
  487   1HB   PRO  65          2HB       PRO  65   4.586 -12.837  14.113
  488   2HB   PRO  65          1HB       PRO  65   6.078 -12.021  13.630
  489   1HG   PRO  65          2HG       PRO  65   3.982 -11.122  15.585
  490   2HG   PRO  65          1HG       PRO  65   5.747 -11.115  15.761
  491   1HD   PRO  65          2HD       PRO  65   4.350  -8.893  15.081
  492   2HD   PRO  65          1HD       PRO  65   5.995  -9.198  14.484
  493    H    LEU  66           H        LEU  66   2.394 -10.230  11.347
  494    HA   LEU  66           HA       LEU  66   0.193 -11.209  12.830
  495   1HB   LEU  66          2HB       LEU  66  -1.141 -10.467  10.774
  496   2HB   LEU  66          1HB       LEU  66  -0.263  -9.260  11.687
  497    HG   LEU  66           HG       LEU  66   1.569  -9.416   9.931
  498   1HD1  LEU  66          1HD1      LEU  66   1.005 -11.549   8.931
  499   2HD1  LEU  66          2HD1      LEU  66   0.933 -10.268   7.723
  500   3HD1  LEU  66          3HD1      LEU  66  -0.557 -10.919   8.409
  501   1HD2  LEU  66          1HD2      LEU  66   0.368  -7.981   8.344
  502   2HD2  LEU  66          2HD2      LEU  66   0.010  -7.554  10.016
  503   3HD2  LEU  66          3HD2      LEU  66  -1.166  -8.467   9.069
  504    H    GLY  67           H        GLY  67   1.941 -12.622  10.141
  505   1HA   GLY  67          2HA       GLY  67   0.873 -15.179  10.535
  506   2HA   GLY  67          1HA       GLY  67  -0.073 -14.417   9.269
  507    H    GLU  68           H        GLU  68   1.585 -16.772   9.075
  508    HA   GLU  68           HA       GLU  68   4.040 -16.298   7.791
  509   1HB   GLU  68          2HB       GLU  68   3.880 -18.595   7.074
  510   2HB   GLU  68          1HB       GLU  68   3.276 -18.477   8.716
  511   1HG   GLU  68          2HG       GLU  68   0.965 -18.442   7.812
  512   2HG   GLU  68          1HG       GLU  68   1.627 -18.695   6.199
  513    H    ASP  69           H        ASP  69   0.777 -16.062   6.683
  514    HA   ASP  69           HA       ASP  69   1.182 -16.311   3.898
  515   1HB   ASP  69          2HB       ASP  69  -1.031 -14.983   3.814
  516   2HB   ASP  69          1HB       ASP  69  -1.032 -16.556   4.605
  517    H    LEU  70           H        LEU  70   2.112 -13.826   6.026
  518    HA   LEU  70           HA       LEU  70   2.597 -11.971   3.798
  519   1HB   LEU  70          2HB       LEU  70   1.806 -10.972   5.884
  520   2HB   LEU  70          1HB       LEU  70   3.136 -11.704   6.765
  521    HG   LEU  70           HG       LEU  70   4.719 -10.326   5.367
  522   1HD1  LEU  70          1HD1      LEU  70   3.267  -9.885   3.475
  523   2HD1  LEU  70          2HD1      LEU  70   3.830  -8.376   4.193
  524   3HD1  LEU  70          3HD1      LEU  70   2.185  -8.938   4.498
  525   1HD2  LEU  70          1HD2      LEU  70   4.314  -8.237   6.599
  526   2HD2  LEU  70          2HD2      LEU  70   4.172  -9.661   7.627
  527   3HD2  LEU  70          3HD2      LEU  70   2.718  -8.833   7.067
  528    H    LYS  71           H        LYS  71   4.282 -12.739   2.591
  529    HA   LYS  71           HA       LYS  71   6.710 -13.607   4.045
  530   1HB   LYS  71          2HB       LYS  71   5.577 -15.411   2.744
  531   2HB   LYS  71          1HB       LYS  71   5.855 -14.481   1.275
  532   1HG   LYS  71          2HG       LYS  71   8.320 -14.580   1.803
  533   2HG   LYS  71          1HG       LYS  71   7.921 -15.717   3.091
  534   1HD   LYS  71          2HD       LYS  71   8.600 -16.963   1.146
  535   2HD   LYS  71          1HD       LYS  71   6.867 -17.196   1.383
  536   1HE   LYS  71          2HE       LYS  71   6.357 -15.627  -0.368
  537   2HE   LYS  71          1HE       LYS  71   8.055 -15.176  -0.519
  538   1HZ   LYS  71          1HZ       LYS  71   8.520 -17.464  -1.230
  539   2HZ   LYS  71          2HZ       LYS  71   7.451 -16.671  -2.270
  540   3HZ   LYS  71          3HZ       LYS  71   6.867 -17.818  -1.175
  541    H    TRP  72           H        TRP  72   8.560 -12.544   3.689
  542    HA   TRP  72           HA       TRP  72   8.733 -10.384   1.814
  543   1HB   TRP  72          2HB       TRP  72  10.812 -11.732   3.549
  544   2HB   TRP  72          1HB       TRP  72  11.156 -10.341   2.523
  545    HD1  TRP  72           HD1      TRP  72   9.239 -11.302   5.715
  546    HE1  TRP  72           HE1      TRP  72   8.714  -9.151   7.024
  547    HE3  TRP  72           HE3      TRP  72  10.785  -7.866   2.267
  548    HZ2  TRP  72           HZ2      TRP  72   8.914  -6.360   6.636
  549    HZ3  TRP  72           HZ3      TRP  72  10.580  -5.477   2.803
  550    HH2  TRP  72           HH2      TRP  72   9.663  -4.738   4.944
  551    H    GLU  73           H        GLU  73   8.424 -11.139  -0.227
  552    HA   GLU  73           HA       GLU  73   9.703 -13.518  -1.217
  553   1HB   GLU  73          2HB       GLU  73   7.427 -12.893  -1.908
  554   2HB   GLU  73          1HB       GLU  73   8.046 -11.423  -2.646
  555   1HG   GLU  73          2HG       GLU  73   7.625 -13.036  -4.362
  556   2HG   GLU  73          1HG       GLU  73   9.367 -12.812  -4.215
  557    H    ALA  74           H        ALA  74  11.355 -13.704  -2.666
  558    HA   ALA  74           HA       ALA  74  12.724 -11.222  -3.521
  559   1HB   ALA  74          1HB       ALA  74  13.931 -13.960  -3.069
  560   2HB   ALA  74          2HB       ALA  74  14.092 -12.566  -1.999
  561   3HB   ALA  74          3HB       ALA  74  14.798 -12.523  -3.614
  562    H    SER  75           H        SER  75  11.630 -10.936  -5.448
  563    HA   SER  75           HA       SER  75  11.081 -13.027  -7.301
  564   1HB   SER  75          2HB       SER  75  11.124 -10.027  -7.737
  565   2HB   SER  75          1HB       SER  75  10.428 -11.210  -8.845
  566    HG   SER  75           HG       SER  75   9.067 -11.839  -6.991
  567    H    ARG  76           H        ARG  76  11.834 -12.905  -9.634
  568    HA   ARG  76           HA       ARG  76  14.581 -13.385  -9.805
  569   1HB   ARG  76          2HB       ARG  76  12.901 -14.262 -11.393
  570   2HB   ARG  76          1HB       ARG  76  12.683 -12.647 -12.047
  571   1HG   ARG  76          2HG       ARG  76  14.093 -14.064 -13.473
  572   2HG   ARG  76          1HG       ARG  76  14.951 -12.636 -12.894
  573   1HD   ARG  76          2HD       ARG  76  16.241 -14.824 -12.846
  574   2HD   ARG  76          1HD       ARG  76  16.217 -13.896 -11.347
  575    HE   ARG  76           HE       ARG  76  14.669 -15.473 -10.445
  576   1HH1  ARG  76          1HH1      ARG  76  16.034 -16.440 -13.469
  577   2HH1  ARG  76          2HH1      ARG  76  15.691 -18.115 -13.194
  578   1HH2  ARG  76          1HH2      ARG  76  14.222 -17.603 -10.130
  579   2HH2  ARG  76          2HH2      ARG  76  14.663 -18.763 -11.337
  580    H    GLY  77           H        GLY  77  15.887 -11.761  -9.074
  581   1HA   GLY  77          2HA       GLY  77  17.053  -9.892 -10.588
  582   2HA   GLY  77          1HA       GLY  77  15.612  -9.031 -10.067
  583    H    GLY  78           H        GLY  78  15.246  -8.972  -7.663
  584   1HA   GLY  78          2HA       GLY  78  17.093  -9.582  -5.705
  585   2HA   GLY  78          1HA       GLY  78  17.610  -8.030  -6.344
  586    H    ALA  79           H        ALA  79  17.223  -7.169  -4.217
  587    HA   ALA  79           HA       ALA  79  16.065  -5.969  -2.684
  588   1HB   ALA  79          1HB       ALA  79  13.855  -5.941  -4.740
  589   2HB   ALA  79          2HB       ALA  79  15.215  -4.819  -4.688
  590   3HB   ALA  79          3HB       ALA  79  14.038  -4.838  -3.375
  591    H    ARG  80           H        ARG  80  13.586  -5.852  -1.718
  592    HA   ARG  80           HA       ARG  80  12.746  -8.628  -1.172
  593   1HB   ARG  80          2HB       ARG  80  13.071  -6.344   0.785
  594   2HB   ARG  80          1HB       ARG  80  12.200  -7.823   1.165
  595   1HG   ARG  80          2HG       ARG  80  14.193  -9.138   0.920
  596   2HG   ARG  80          1HG       ARG  80  15.098  -7.745   0.329
  597   1HD   ARG  80          2HD       ARG  80  14.852  -6.645   2.493
  598   2HD   ARG  80          1HD       ARG  80  13.873  -7.986   3.083
  599    HE   ARG  80           HE       ARG  80  15.849  -9.379   2.973
  600   1HH1  ARG  80          1HH1      ARG  80  16.397  -5.988   2.672
  601   2HH1  ARG  80          2HH1      ARG  80  18.024  -6.093   3.251
  602   1HH2  ARG  80          1HH2      ARG  80  17.954  -9.488   3.720
  603   2HH2  ARG  80          2HH2      ARG  80  18.884  -8.033   3.834
  604    H    PHE  81           H        PHE  81  10.631  -9.006  -1.474
  605    HA   PHE  81           HA       PHE  81   8.791  -6.703  -1.720
  606   1HB   PHE  81          2HB       PHE  81   8.612  -9.295  -3.281
  607   2HB   PHE  81          1HB       PHE  81   7.626  -7.855  -3.504
  608    HD1  PHE  81           HD1      PHE  81   8.576  -5.854  -4.579
  609    HD2  PHE  81           HD2      PHE  81  10.814  -9.462  -4.216
  610    HE1  PHE  81           HE1      PHE  81  10.153  -5.046  -6.284
  611    HE2  PHE  81           HE2      PHE  81  12.397  -8.652  -5.915
  612    HZ   PHE  81           HZ       PHE  81  12.066  -6.443  -6.950
  613    HA   PRO  82           HA       PRO  82   6.932  -9.312   1.589
  614   1HB   PRO  82          2HB       PRO  82   5.497  -7.272   2.718
  615   2HB   PRO  82          1HB       PRO  82   7.183  -7.617   3.116
  616   1HG   PRO  82          2HG       PRO  82   6.061  -5.555   1.258
  617   2HG   PRO  82          1HG       PRO  82   7.392  -5.410   2.421
  618   1HD   PRO  82          2HD       PRO  82   7.811  -5.751  -0.239
  619   2HD   PRO  82          1HD       PRO  82   8.918  -6.394   0.992
  620    H    HIS  83           H        HIS  83   5.531 -10.566   0.423
  621    HA   HIS  83           HA       HIS  83   3.164  -9.303  -0.780
  622   1HB   HIS  83          2HB       HIS  83   4.340 -12.065  -1.172
  623   2HB   HIS  83          1HB       HIS  83   2.852 -11.503  -1.928
  624    HD1  HIS  83           HD1      HIS  83   5.170 -12.395  -3.697
  625    HD2  HIS  83           HD2      HIS  83   4.590  -8.464  -2.480
  626    HE1  HIS  83           HE1      HIS  83   6.360 -10.984  -5.395
  627    HE2  HIS  83           HE2      HIS  83   5.911  -8.613  -4.697
  628    H    LEU  84           H        LEU  84   1.411  -9.242   0.462
  629    HA   LEU  84           HA       LEU  84   0.912 -11.360   2.428
  630   1HB   LEU  84          2HB       LEU  84   0.728  -8.993   3.128
  631   2HB   LEU  84          1HB       LEU  84  -0.544  -8.747   1.948
  632    HG   LEU  84           HG       LEU  84  -2.030 -10.238   3.166
  633   1HD1  LEU  84          1HD1      LEU  84   0.275 -10.633   5.078
  634   2HD1  LEU  84          2HD1      LEU  84  -0.383 -11.844   3.977
  635   3HD1  LEU  84          3HD1      LEU  84  -1.370 -11.232   5.304
  636   1HD2  LEU  84          1HD2      LEU  84  -1.951  -7.883   3.843
  637   2HD2  LEU  84          2HD2      LEU  84  -0.689  -8.259   5.017
  638   3HD2  LEU  84          3HD2      LEU  84  -2.307  -8.932   5.215
  639    H    TYR  85           H        TYR  85  -0.113 -13.095   1.635
  640    HA   TYR  85           HA       TYR  85  -1.680 -12.935  -0.795
  641   1HB   TYR  85          2HB       TYR  85  -1.213 -15.337   0.996
  642   2HB   TYR  85          1HB       TYR  85  -1.727 -15.355  -0.688
  643    HD1  TYR  85           HD1      TYR  85  -0.020 -14.028  -2.308
  644    HD2  TYR  85           HD2      TYR  85   1.018 -15.829   1.409
  645    HE1  TYR  85           HE1      TYR  85   2.326 -14.156  -3.029
  646    HE2  TYR  85           HE2      TYR  85   3.364 -15.966   0.691
  647    HH   TYR  85           HH       TYR  85   4.633 -16.038  -1.441
  648    H    ARG  86           H        ARG  86  -3.146 -11.389   0.732
  649    HA   ARG  86           HA       ARG  86  -5.444 -12.997   1.636
  650   1HB   ARG  86          2HB       ARG  86  -4.063 -10.856   3.273
  651   2HB   ARG  86          1HB       ARG  86  -5.645 -11.513   3.660
  652   1HG   ARG  86          2HG       ARG  86  -3.085 -13.099   3.544
  653   2HG   ARG  86          1HG       ARG  86  -3.845 -12.486   5.012
  654   1HD   ARG  86          2HD       ARG  86  -5.908 -13.809   4.318
  655   2HD   ARG  86          1HD       ARG  86  -4.876 -14.588   3.117
  656    HE   ARG  86           HE       ARG  86  -3.785 -14.681   5.765
  657   1HH1  ARG  86          1HH1      ARG  86  -5.876 -16.248   3.526
  658   2HH1  ARG  86          2HH1      ARG  86  -5.879 -17.740   4.402
  659   1HH2  ARG  86          1HH2      ARG  86  -3.784 -16.591   6.877
  660   2HH2  ARG  86          2HH2      ARG  86  -4.714 -17.928   6.293
  661    HA   PRO  87           HA       PRO  87  -7.744  -9.272   0.274
  662   1HB   PRO  87          2HB       PRO  87 -10.106  -9.720   1.494
  663   2HB   PRO  87          1HB       PRO  87  -9.601 -10.654   0.081
  664   1HG   PRO  87          2HG       PRO  87  -9.542 -11.410   2.975
  665   2HG   PRO  87          1HG       PRO  87  -9.973 -12.397   1.566
  666   1HD   PRO  87          2HD       PRO  87  -7.512 -12.456   2.835
  667   2HD   PRO  87          1HD       PRO  87  -7.788 -12.958   1.155
  668    H    LEU  88           H        LEU  88  -6.865  -7.479   1.282
  669    HA   LEU  88           HA       LEU  88  -6.445  -7.463   4.129
  670   1HB   LEU  88          2HB       LEU  88  -5.750  -5.583   1.899
  671   2HB   LEU  88          1HB       LEU  88  -5.561  -5.083   3.567
  672    HG   LEU  88           HG       LEU  88  -3.992  -6.935   3.961
  673   1HD1  LEU  88          1HD1      LEU  88  -3.115  -8.232   2.079
  674   2HD1  LEU  88          2HD1      LEU  88  -4.329  -7.513   1.022
  675   3HD1  LEU  88          3HD1      LEU  88  -4.826  -8.549   2.359
  676   1HD2  LEU  88          1HD2      LEU  88  -2.129  -6.044   2.668
  677   2HD2  LEU  88          2HD2      LEU  88  -3.153  -4.742   3.275
  678   3HD2  LEU  88          3HD2      LEU  88  -3.256  -5.227   1.581
  679    H    LEU  89           H        LEU  89  -7.740  -6.687   5.650
  680    HA   LEU  89           HA       LEU  89 -10.223  -5.389   5.049
  681   1HB   LEU  89          2HB       LEU  89  -8.867  -5.583   7.739
  682   2HB   LEU  89          1HB       LEU  89 -10.581  -5.380   7.426
  683    HG   LEU  89           HG       LEU  89  -8.936  -7.866   6.919
  684   1HD1  LEU  89          1HD1      LEU  89 -10.370  -8.883   8.608
  685   2HD1  LEU  89          2HD1      LEU  89 -11.218  -7.353   8.831
  686   3HD1  LEU  89          3HD1      LEU  89  -9.514  -7.490   9.269
  687   1HD2  LEU  89          1HD2      LEU  89 -11.846  -7.340   6.303
  688   2HD2  LEU  89          2HD2      LEU  89 -11.052  -8.913   6.216
  689   3HD2  LEU  89          3HD2      LEU  89 -10.554  -7.615   5.131
  690    H    VAL  90           H        VAL  90 -10.288  -3.219   4.428
  691    HA   VAL  90           HA       VAL  90  -9.562  -1.052   4.096
  692    HB   VAL  90           HB       VAL  90  -8.922  -1.246   7.043
  693   1HG1  VAL  90          1HG1      VAL  90  -8.040   0.806   6.024
  694   2HG1  VAL  90          2HG1      VAL  90  -9.386   1.170   7.102
  695   3HG1  VAL  90          3HG1      VAL  90  -9.633   1.165   5.356
  696   1HG2  VAL  90          1HG2      VAL  90 -11.193  -2.020   6.561
  697   2HG2  VAL  90          2HG2      VAL  90 -11.525  -0.519   5.698
  698   3HG2  VAL  90          3HG2      VAL  90 -11.212  -0.488   7.435
  699    H    SER  91           H        SER  91  -7.767  -2.993   3.344
  700    HA   SER  91           HA       SER  91  -5.608  -3.494   2.875
  701   1HB   SER  91          2HB       SER  91  -5.234  -0.530   3.389
  702   2HB   SER  91          1HB       SER  91  -4.029  -1.574   2.636
  703    HG   SER  91           HG       SER  91  -6.049  -0.322   1.475
  704    H    GLU  92           H        GLU  92  -6.553  -3.568   5.738
  705    HA   GLU  92           HA       GLU  92  -5.839  -3.610   7.896
  706   1HB   GLU  92          2HB       GLU  92  -3.479  -4.883   6.487
  707   2HB   GLU  92          1HB       GLU  92  -3.784  -4.993   8.218
  708   1HG   GLU  92          2HG       GLU  92  -6.003  -6.023   7.691
  709   2HG   GLU  92          1HG       GLU  92  -5.521  -6.059   5.999
  710    H    VAL  93           H        VAL  93  -5.477  -1.159   6.712
  711    HA   VAL  93           HA       VAL  93  -2.894  -0.055   7.002
  712    HB   VAL  93           HB       VAL  93  -5.651   1.083   6.558
  713   1HG1  VAL  93          1HG1      VAL  93  -3.126   2.716   7.017
  714   2HG1  VAL  93          2HG1      VAL  93  -4.589   2.745   8.002
  715   3HG1  VAL  93          3HG1      VAL  93  -4.631   3.348   6.346
  716   1HG2  VAL  93          1HG2      VAL  93  -4.632   1.809   4.448
  717   2HG2  VAL  93          2HG2      VAL  93  -4.467   0.071   4.688
  718   3HG2  VAL  93          3HG2      VAL  93  -3.083   1.131   4.954
  719    H    THR  94           H        THR  94  -1.956  -0.176   8.965
  720    HA   THR  94           HA       THR  94  -3.202   0.605  11.427
  721    HB   THR  94           HB       THR  94  -0.242   0.422  10.764
  722    HG1  THR  94           HG1      THR  94  -1.163  -1.583  12.315
  723   1HG2  THR  94          1HG2      THR  94  -1.655   0.434  13.440
  724   2HG2  THR  94          2HG2      THR  94  -0.658   1.735  12.787
  725   3HG2  THR  94          3HG2      THR  94   0.073   0.182  13.189
  726    H    ARG  95           H        ARG  95  -0.854   2.164   9.241
  727    HA   ARG  95           HA       ARG  95  -1.509   4.771  10.475
  728   1HB   ARG  95          2HB       ARG  95   0.862   3.885  10.676
  729   2HB   ARG  95          1HB       ARG  95   0.992   4.090   8.940
  730   1HG   ARG  95          2HG       ARG  95   0.514   6.513   9.245
  731   2HG   ARG  95          1HG       ARG  95   0.557   6.251  10.991
  732   1HD   ARG  95          2HD       ARG  95   2.804   5.914   9.007
  733   2HD   ARG  95          1HD       ARG  95   2.710   7.046  10.355
  734    HE   ARG  95           HE       ARG  95   2.642   4.237  11.074
  735   1HH1  ARG  95          1HH1      ARG  95   4.582   7.068  10.682
  736   2HH1  ARG  95          2HH1      ARG  95   5.892   6.418  11.607
  737   1HH2  ARG  95          1HH2      ARG  95   4.315   3.436  12.241
  738   2HH2  ARG  95          2HH2      ARG  95   5.745   4.388  12.471
  739    H    GLU  96           H        GLU  96  -2.069   6.445   9.179
  740    HA   GLU  96           HA       GLU  96  -2.282   5.998   6.265
  741   1HB   GLU  96          2HB       GLU  96  -4.463   5.505   7.342
  742   2HB   GLU  96          1HB       GLU  96  -4.463   7.106   8.058
  743   1HG   GLU  96          2HG       GLU  96  -4.477   8.067   5.760
  744   2HG   GLU  96          1HG       GLU  96  -4.667   6.429   5.134
  745    H    ALA  97           H        ALA  97  -1.408   7.689   5.140
  746    HA   ALA  97           HA       ALA  97  -1.504  10.383   6.282
  747   1HB   ALA  97          1HB       ALA  97   1.112   9.041   5.585
  748   2HB   ALA  97          2HB       ALA  97   0.547   9.423   7.212
  749   3HB   ALA  97          3HB       ALA  97   0.909  10.724   6.076
  750    H    ASP  98           H        ASP  98  -1.354  12.025   4.784
  751    HA   ASP  98           HA       ASP  98  -1.665  11.362   2.006
  752   1HB   ASP  98          2HB       ASP  98  -1.289  14.058   3.347
  753   2HB   ASP  98          1HB       ASP  98  -1.816  13.799   1.685
  754    H    LEU  99           H        LEU  99  -0.143  11.409   0.395
  755    HA   LEU  99           HA       LEU  99   2.546  11.039   1.161
  756   1HB   LEU  99          2HB       LEU  99   1.531   9.939  -0.775
  757   2HB   LEU  99          1HB       LEU  99   1.393  11.485  -1.592
  758    HG   LEU  99           HG       LEU  99   3.863  11.677  -1.632
  759   1HD1  LEU  99          1HD1      LEU  99   5.246   9.738  -1.055
  760   2HD1  LEU  99          2HD1      LEU  99   3.819   8.894  -0.454
  761   3HD1  LEU  99          3HD1      LEU  99   4.386  10.356   0.354
  762   1HD2  LEU  99          1HD2      LEU  99   2.791   9.112  -2.816
  763   2HD2  LEU  99          2HD2      LEU  99   4.267   9.940  -3.312
  764   3HD2  LEU  99          3HD2      LEU  99   2.702  10.715  -3.548
  765    H    ASP 100           H        ASP 100   4.208  12.392   1.383
  766    HA   ASP 100           HA       ASP 100   3.840  15.220   0.773
  767   1HB   ASP 100          2HB       ASP 100   6.119  13.853   2.223
  768   2HB   ASP 100          1HB       ASP 100   5.814  15.586   2.151
  769    H    LEU 101           H        LEU 101   4.389  15.874  -1.214
  770    HA   LEU 101           HA       LEU 101   6.687  14.691  -2.607
  771   1HB   LEU 101          2HB       LEU 101   4.733  16.800  -3.564
  772   2HB   LEU 101          1HB       LEU 101   5.926  15.971  -4.545
  773    HG   LEU 101           HG       LEU 101   3.531  14.665  -3.232
  774   1HD1  LEU 101          1HD1      LEU 101   2.879  16.121  -5.074
  775   2HD1  LEU 101          2HD1      LEU 101   2.675  14.425  -5.512
  776   3HD1  LEU 101          3HD1      LEU 101   4.054  15.336  -6.129
  777   1HD2  LEU 101          1HD2      LEU 101   5.405  13.124  -3.408
  778   2HD2  LEU 101          2HD2      LEU 101   5.608  13.535  -5.112
  779   3HD2  LEU 101          3HD2      LEU 101   4.150  12.702  -4.571
  780    H    ASP 102           H        ASP 102   8.331  16.150  -3.598
  781    HA   ASP 102           HA       ASP 102   8.834  18.490  -1.884
  782   1HB   ASP 102          2HB       ASP 102  11.170  18.342  -2.588
  783   2HB   ASP 102          1HB       ASP 102  10.618  16.822  -1.902
  784    H    ALA 103           H        ALA 103  10.520  20.000  -3.371
  785    HA   ALA 103           HA       ALA 103   8.746  21.457  -5.027
  786   1HB   ALA 103          1HB       ALA 103  10.564  22.489  -3.739
  787   2HB   ALA 103          2HB       ALA 103  10.626  22.930  -5.445
  788   3HB   ALA 103          3HB       ALA 103  11.742  21.723  -4.807
  789    H    ASP 104           H        ASP 104  10.429  18.651  -5.793
  790    HA   ASP 104           HA       ASP 104  10.550  19.357  -8.659
  791   1HB   ASP 104          2HB       ASP 104  12.000  17.147  -7.181
  792   2HB   ASP 104          1HB       ASP 104  12.139  17.489  -8.904
  793    H    GLY 105           H        GLY 105   8.813  17.499  -6.392
  794   1HA   GLY 105          2HA       GLY 105   6.729  16.495  -6.990
  795   2HA   GLY 105          1HA       GLY 105   7.359  16.191  -8.600
  796    H    VAL 106           H        VAL 106   9.537  15.372  -6.104
  797    HA   VAL 106           HA       VAL 106   8.995  12.514  -6.515
  798    HB   VAL 106           HB       VAL 106  11.429  13.843  -5.285
  799   1HG1  VAL 106          1HG1      VAL 106  11.087  11.565  -4.456
  800   2HG1  VAL 106          2HG1      VAL 106  12.494  11.643  -5.518
  801   3HG1  VAL 106          3HG1      VAL 106  10.976  10.968  -6.113
  802   1HG2  VAL 106          1HG2      VAL 106  12.559  13.315  -7.392
  803   2HG2  VAL 106          2HG2      VAL 106  11.182  14.380  -7.667
  804   3HG2  VAL 106          3HG2      VAL 106  11.056  12.662  -8.047
  805    HA   PRO 107           HA       PRO 107   7.055  12.271  -2.446
  806   1HB   PRO 107          2HB       PRO 107   7.814   9.402  -2.827
  807   2HB   PRO 107          1HB       PRO 107   6.256  10.105  -2.370
  808   1HG   PRO 107          2HG       PRO 107   6.610   9.204  -4.834
  809   2HG   PRO 107          1HG       PRO 107   5.752  10.734  -4.566
  810   1HD   PRO 107          2HD       PRO 107   8.579  10.279  -5.469
  811   2HD   PRO 107          1HD       PRO 107   7.384  11.460  -6.052
  812    H    GLN 108           H        GLN 108   8.197  12.984  -0.744
  813    HA   GLN 108           HA       GLN 108  10.938  12.255  -0.312
  814   1HB   GLN 108          2HB       GLN 108   9.035  13.906   1.360
  815   2HB   GLN 108          1HB       GLN 108  10.748  13.714   1.706
  816   1HG   GLN 108          2HG       GLN 108   9.535  15.005  -0.733
  817   2HG   GLN 108          1HG       GLN 108  10.373  15.813   0.591
  818   1HE2  GLN 108          1HE2      GLN 108  10.732  13.876  -2.260
  819   2HE2  GLN 108          2HE2      GLN 108  12.442  14.046  -2.401
  820    H    LEU 109           H        LEU 109  10.759   9.959  -0.018
  821    HA   LEU 109           HA       LEU 109   9.541   8.978   2.411
  822   1HB   LEU 109          2HB       LEU 109  10.814   7.792   0.064
  823   2HB   LEU 109          1HB       LEU 109  11.255   6.980   1.555
  824    HG   LEU 109           HG       LEU 109   8.871   6.643   2.080
  825   1HD1  LEU 109          1HD1      LEU 109   7.908   8.545   0.955
  826   2HD1  LEU 109          2HD1      LEU 109   7.173   7.060   0.353
  827   3HD1  LEU 109          3HD1      LEU 109   8.385   7.902  -0.617
  828   1HD2  LEU 109          1HD2      LEU 109  10.124   4.911   0.902
  829   2HD2  LEU 109          2HD2      LEU 109   9.670   5.625  -0.645
  830   3HD2  LEU 109          3HD2      LEU 109   8.433   4.933   0.404
  831    H    GLY 110           H        GLY 110  12.460  10.520   1.690
  832   1HA   GLY 110          2HA       GLY 110  14.307   9.372   3.420
  833   2HA   GLY 110          1HA       GLY 110  14.242  11.084   3.035
  834    H    ASP 111           H        ASP 111  11.608  11.504   4.178
  835    HA   ASP 111           HA       ASP 111  12.307  11.946   6.903
  836   1HB   ASP 111          2HB       ASP 111  10.728  13.337   5.471
  837   2HB   ASP 111          1HB       ASP 111   9.527  12.073   5.711
  838    H    HIS 112           H        HIS 112  10.640   9.391   5.210
  839    HA   HIS 112           HA       HIS 112   9.503   8.175   7.570
  840   1HB   HIS 112          2HB       HIS 112   9.790   7.203   4.720
  841   2HB   HIS 112          1HB       HIS 112   9.043   6.244   5.990
  842    HD1  HIS 112           HD1      HIS 112   6.857   7.408   7.119
  843    HD2  HIS 112           HD2      HIS 112   8.093   8.896   3.449
  844    HE1  HIS 112           HE1      HIS 112   4.880   8.646   6.198
  845    HE2  HIS 112           HE2      HIS 112   5.735   9.735   4.104
  846    H    LEU 113           H        LEU 113  12.292   7.564   5.470
  847    HA   LEU 113           HA       LEU 113  13.051   5.161   6.862
  848   1HB   LEU 113          2HB       LEU 113  14.752   6.724   4.920
  849   2HB   LEU 113          1HB       LEU 113  14.857   5.017   5.313
  850    HG   LEU 113           HG       LEU 113  12.725   6.400   3.681
  851   1HD1  LEU 113          1HD1      LEU 113  13.454   4.868   1.920
  852   2HD1  LEU 113          2HD1      LEU 113  14.690   4.218   2.997
  853   3HD1  LEU 113          3HD1      LEU 113  14.770   5.902   2.477
  854   1HD2  LEU 113          1HD2      LEU 113  11.588   4.798   5.087
  855   2HD2  LEU 113          2HD2      LEU 113  12.758   3.545   4.667
  856   3HD2  LEU 113          3HD2      LEU 113  11.665   4.181   3.437
  857    H    ALA 114           H        ALA 114  15.271   4.883   7.785
  858    HA   ALA 114           HA       ALA 114  15.658   6.802   9.867
  859   1HB   ALA 114          1HB       ALA 114  17.434   5.310  10.643
  860   2HB   ALA 114          2HB       ALA 114  17.331   4.396   9.136
  861   3HB   ALA 114          3HB       ALA 114  15.966   4.415  10.254
  862    H    LEU 115           H        LEU 115  16.407   8.768   9.167
  863    HA   LEU 115           HA       LEU 115  18.669   9.091   7.437
  864   1HB   LEU 115          2HB       LEU 115  17.373  11.036   9.360
  865   2HB   LEU 115          1HB       LEU 115  18.585  11.465   8.167
  866    HG   LEU 115           HG       LEU 115  15.824  10.397   7.546
  867   1HD1  LEU 115          1HD1      LEU 115  15.769  12.667   8.445
  868   2HD1  LEU 115          2HD1      LEU 115  15.360  12.651   6.730
  869   3HD1  LEU 115          3HD1      LEU 115  16.962  13.178   7.249
  870   1HD2  LEU 115          1HD2      LEU 115  18.006  11.393   5.706
  871   2HD2  LEU 115          2HD2      LEU 115  16.368  10.957   5.218
  872   3HD2  LEU 115          3HD2      LEU 115  17.454   9.724   5.860
  873    H    GLU 116           H        GLU 116  20.793   9.028   7.939
  874    HA   GLU 116           HA       GLU 116  21.680   8.244  10.520
  875   1HB   GLU 116          2HB       GLU 116  22.861   7.539   8.530
  876   2HB   GLU 116          1HB       GLU 116  23.190   9.202   8.078
  877   1HG   GLU 116          2HG       GLU 116  24.248   8.118  10.661
  878   2HG   GLU 116          1HG       GLU 116  25.057   7.737   9.144
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1   6.996  -7.996  11.613
    2   2H    MET   1          2H        MET   1   6.996  -8.987  12.979
    3   3H    MET   1          3H        MET   1   8.434  -8.283  12.453
    4    HA   MET   1           HA       MET   1   6.080  -6.825  13.504
    5   1HB   MET   1          2HB       MET   1   8.785  -7.392  14.742
    6   2HB   MET   1          1HB       MET   1   7.602  -6.278  15.413
    7   1HG   MET   1          2HG       MET   1   6.015  -8.141  15.663
    8   2HG   MET   1          1HG       MET   1   7.241  -9.247  15.043
    9   1HE   MET   1          1HE       MET   1   7.025 -10.092  18.887
   10   2HE   MET   1          2HE       MET   1   6.891 -10.744  17.254
   11   3HE   MET   1          3HE       MET   1   5.696  -9.586  17.843
   12    H    THR   2           H        THR   2   8.104  -6.559  11.076
   13    HA   THR   2           HA       THR   2   9.212  -3.915  11.601
   14    HB   THR   2           HB       THR   2  10.129  -4.062   9.315
   15    HG1  THR   2           HG1      THR   2   9.548  -5.632   7.955
   16   1HG2  THR   2          1HG2      THR   2  11.407  -5.052  11.168
   17   2HG2  THR   2          2HG2      THR   2  11.654  -5.947   9.668
   18   3HG2  THR   2          3HG2      THR   2  10.585  -6.591  10.914
   19    H    LEU   3           H        LEU   3   8.941  -2.349   9.581
   20    HA   LEU   3           HA       LEU   3   6.060  -1.897   9.306
   21   1HB   LEU   3          2HB       LEU   3   8.387  -0.090   8.630
   22   2HB   LEU   3          1HB       LEU   3   6.695   0.364   8.577
   23    HG   LEU   3           HG       LEU   3   8.267  -0.356  11.057
   24   1HD1  LEU   3          1HD1      LEU   3   7.958   1.986  11.670
   25   2HD1  LEU   3          2HD1      LEU   3   7.143   2.290  10.136
   26   3HD1  LEU   3          3HD1      LEU   3   8.848   1.836  10.156
   27   1HD2  LEU   3          1HD2      LEU   3   6.247   0.327  12.286
   28   2HD2  LEU   3          2HD2      LEU   3   5.972  -1.096  11.283
   29   3HD2  LEU   3          3HD2      LEU   3   5.383   0.479  10.754
   30    H    ILE   4           H        ILE   4   4.982  -2.059   7.416
   31    HA   ILE   4           HA       ILE   4   6.533  -2.344   4.912
   32    HB   ILE   4           HB       ILE   4   4.534  -3.542   3.995
   33   1HG1  ILE   4          2HG1      ILE   4   3.668  -3.596   6.905
   34   2HG1  ILE   4          1HG1      ILE   4   2.862  -2.719   5.609
   35   1HG2  ILE   4          1HG2      ILE   4   6.515  -4.761   4.732
   36   2HG2  ILE   4          2HG2      ILE   4   5.051  -5.687   5.058
   37   3HG2  ILE   4          3HG2      ILE   4   5.870  -4.841   6.372
   38   1HD1  ILE   4          1HD1      ILE   4   3.133  -5.710   5.806
   39   2HD1  ILE   4          2HD1      ILE   4   2.316  -4.829   4.514
   40   3HD1  ILE   4          3HD1      ILE   4   1.686  -4.767   6.160
   41    H    TYR   5           H        TYR   5   5.852  -1.208   3.082
   42    HA   TYR   5           HA       TYR   5   3.867   0.925   3.589
   43   1HB   TYR   5          2HB       TYR   5   6.490   1.244   2.109
   44   2HB   TYR   5          1HB       TYR   5   5.307   2.509   2.423
   45    HD1  TYR   5           HD1      TYR   5   7.868   0.342   3.951
   46    HD2  TYR   5           HD2      TYR   5   5.175   3.582   4.588
   47    HE1  TYR   5           HE1      TYR   5   9.010   0.873   6.061
   48    HE2  TYR   5           HE2      TYR   5   6.315   4.116   6.702
   49    HH   TYR   5           HH       TYR   5   9.327   2.733   7.559
   50    H    LYS   6           H        LYS   6   2.387   1.274   2.014
   51    HA   LYS   6           HA       LYS   6   3.008   0.402  -0.738
   52   1HB   LYS   6          2HB       LYS   6   1.433  -1.204   0.483
   53   2HB   LYS   6          1HB       LYS   6   0.253   0.099   0.478
   54   1HG   LYS   6          2HG       LYS   6   0.525   0.155  -2.053
   55   2HG   LYS   6          1HG       LYS   6   1.422  -1.355  -1.889
   56   1HD   LYS   6          2HD       LYS   6  -0.625  -2.238  -0.630
   57   2HD   LYS   6          1HD       LYS   6  -1.473  -0.817  -1.241
   58   1HE   LYS   6          2HE       LYS   6  -0.220  -3.048  -2.845
   59   2HE   LYS   6          1HE       LYS   6  -1.929  -2.653  -2.713
   60   1HZ   LYS   6          1HZ       LYS   6  -1.372  -0.492  -3.810
   61   2HZ   LYS   6          2HZ       LYS   6  -1.167  -1.854  -4.785
   62   3HZ   LYS   6          3HZ       LYS   6   0.179  -1.099  -4.103
   63    H    ILE   7           H        ILE   7   3.036   2.204  -1.953
   64    HA   ILE   7           HA       ILE   7   1.385   4.504  -1.233
   65    HB   ILE   7           HB       ILE   7   3.415   4.199  -3.465
   66   1HG1  ILE   7          2HG1      ILE   7   3.647   5.522  -0.744
   67   2HG1  ILE   7          1HG1      ILE   7   4.433   4.026  -1.231
   68   1HG2  ILE   7          1HG2      ILE   7   3.324   6.653  -3.612
   69   2HG2  ILE   7          2HG2      ILE   7   2.043   6.678  -2.401
   70   3HG2  ILE   7          3HG2      ILE   7   1.758   5.925  -3.970
   71   1HD1  ILE   7          1HD1      ILE   7   5.740   5.252  -2.885
   72   2HD1  ILE   7          2HD1      ILE   7   5.978   5.888  -1.257
   73   3HD1  ILE   7          3HD1      ILE   7   4.946   6.750  -2.398
   74    H    LEU   8           H        LEU   8  -0.445   5.089  -2.273
   75    HA   LEU   8           HA       LEU   8  -1.052   4.031  -4.919
   76   1HB   LEU   8          2HB       LEU   8  -3.162   3.053  -4.332
   77   2HB   LEU   8          1HB       LEU   8  -1.904   2.310  -3.369
   78    HG   LEU   8           HG       LEU   8  -3.854   4.407  -2.368
   79   1HD1  LEU   8          1HD1      LEU   8  -4.981   2.309  -2.829
   80   2HD1  LEU   8          2HD1      LEU   8  -4.844   2.555  -1.090
   81   3HD1  LEU   8          3HD1      LEU   8  -3.764   1.423  -1.906
   82   1HD2  LEU   8          1HD2      LEU   8  -1.747   4.511  -1.158
   83   2HD2  LEU   8          2HD2      LEU   8  -1.790   2.769  -0.885
   84   3HD2  LEU   8          3HD2      LEU   8  -3.001   3.810  -0.136
   85    H    SER   9           H        SER   9  -3.018   4.995  -5.864
   86    HA   SER   9           HA       SER   9  -3.028   7.821  -5.460
   87   1HB   SER   9          2HB       SER   9  -4.728   7.877  -7.228
   88   2HB   SER   9          1HB       SER   9  -3.415   6.792  -7.681
   89    HG   SER   9           HG       SER   9  -4.702   5.071  -7.394
   90    H    ARG  10           H        ARG  10  -4.857   9.155  -4.899
   91    HA   ARG  10           HA       ARG  10  -6.149   8.471  -2.532
   92   1HB   ARG  10          2HB       ARG  10  -5.818  10.789  -3.406
   93   2HB   ARG  10          1HB       ARG  10  -7.103  10.501  -4.568
   94   1HG   ARG  10          2HG       ARG  10  -7.893  11.783  -2.647
   95   2HG   ARG  10          1HG       ARG  10  -8.708  10.222  -2.757
   96   1HD   ARG  10          2HD       ARG  10  -7.363   9.316  -0.989
   97   2HD   ARG  10          1HD       ARG  10  -6.324  10.740  -0.980
   98    HE   ARG  10           HE       ARG  10  -7.956  11.916   0.172
   99   1HH1  ARG  10          1HH1      ARG  10  -9.154   8.801  -0.701
  100   2HH1  ARG  10          2HH1      ARG  10 -10.472   8.878   0.418
  101   1HH2  ARG  10          1HH2      ARG  10  -9.637  11.980   1.613
  102   2HH2  ARG  10          2HH2      ARG  10 -10.728  10.642   1.718
  103    H    ALA  11           H        ALA  11  -7.186   8.059  -5.862
  104    HA   ALA  11           HA       ALA  11  -9.863   7.319  -5.449
  105   1HB   ALA  11          1HB       ALA  11  -9.748   6.318  -7.654
  106   2HB   ALA  11          2HB       ALA  11  -7.984   6.345  -7.603
  107   3HB   ALA  11          3HB       ALA  11  -8.891   7.858  -7.645
  108    H    GLU  12           H        GLU  12  -7.024   5.182  -5.904
  109    HA   GLU  12           HA       GLU  12  -8.243   2.729  -5.471
  110   1HB   GLU  12          2HB       GLU  12  -5.439   3.612  -4.736
  111   2HB   GLU  12          1HB       GLU  12  -5.971   1.937  -4.740
  112   1HG   GLU  12          2HG       GLU  12  -6.332   2.001  -7.120
  113   2HG   GLU  12          1HG       GLU  12  -5.996   3.732  -7.159
  114    H    TRP  13           H        TRP  13  -6.768   4.893  -3.069
  115    HA   TRP  13           HA       TRP  13  -7.231   3.175  -0.849
  116   1HB   TRP  13          2HB       TRP  13  -5.456   4.846  -0.834
  117   2HB   TRP  13          1HB       TRP  13  -6.645   6.139  -0.946
  118    HD1  TRP  13           HD1      TRP  13  -6.808   7.319   1.312
  119    HE1  TRP  13           HE1      TRP  13  -6.794   6.603   3.778
  120    HE3  TRP  13           HE3      TRP  13  -6.187   2.274   0.706
  121    HZ2  TRP  13           HZ2      TRP  13  -6.583   4.222   5.278
  122    HZ3  TRP  13           HZ3      TRP  13  -6.098   0.851   2.709
  123    HH2  TRP  13           HH2      TRP  13  -6.293   1.804   4.946
  124    H    ASP  14           H        ASP  14  -9.011   5.958  -2.148
  125    HA   ASP  14           HA       ASP  14 -10.851   6.224  -0.014
  126   1HB   ASP  14          2HB       ASP  14 -10.384   7.866  -1.924
  127   2HB   ASP  14          1HB       ASP  14 -11.430   6.870  -2.916
  128    H    ALA  15           H        ALA  15 -11.205   4.678  -3.201
  129    HA   ALA  15           HA       ALA  15 -13.698   3.516  -2.919
  130   1HB   ALA  15          1HB       ALA  15 -12.464   3.570  -5.012
  131   2HB   ALA  15          2HB       ALA  15 -12.949   1.913  -4.628
  132   3HB   ALA  15          3HB       ALA  15 -11.282   2.434  -4.365
  133    H    ALA  16           H        ALA  16 -10.524   2.062  -2.151
  134    HA   ALA  16           HA       ALA  16 -11.440  -0.346  -1.063
  135   1HB   ALA  16          1HB       ALA  16  -8.976   1.223  -0.295
  136   2HB   ALA  16          2HB       ALA  16  -9.097   0.074  -1.630
  137   3HB   ALA  16          3HB       ALA  16  -9.262  -0.487   0.035
  138    H    LYS  17           H        LYS  17 -10.857   2.786   0.511
  139    HA   LYS  17           HA       LYS  17 -11.356   1.989   3.159
  140   1HB   LYS  17          2HB       LYS  17 -10.270   4.118   2.558
  141   2HB   LYS  17          1HB       LYS  17 -11.786   4.705   1.888
  142   1HG   LYS  17          2HG       LYS  17 -12.818   4.636   4.088
  143   2HG   LYS  17          1HG       LYS  17 -11.341   3.968   4.780
  144   1HD   LYS  17          2HD       LYS  17 -11.609   6.690   3.489
  145   2HD   LYS  17          1HD       LYS  17 -11.549   6.376   5.223
  146   1HE   LYS  17          2HE       LYS  17  -9.282   5.228   4.663
  147   2HE   LYS  17          1HE       LYS  17  -9.382   6.146   3.169
  148   1HZ   LYS  17          1HZ       LYS  17  -9.488   8.178   4.412
  149   2HZ   LYS  17          2HZ       LYS  17  -8.138   7.300   4.937
  150   3HZ   LYS  17          3HZ       LYS  17  -9.535   7.341   5.881
  151    H    ALA  18           H        ALA  18 -13.551   3.193   0.643
  152    HA   ALA  18           HA       ALA  18 -15.903   3.121   2.273
  153   1HB   ALA  18          1HB       ALA  18 -17.118   3.404   0.160
  154   2HB   ALA  18          2HB       ALA  18 -15.625   3.109  -0.735
  155   3HB   ALA  18          3HB       ALA  18 -15.771   4.536   0.293
  156    H    GLN  19           H        GLN  19 -14.301   0.837   0.140
  157    HA   GLN  19           HA       GLN  19 -16.339  -1.175   0.234
  158   1HB   GLN  19          2HB       GLN  19 -13.423  -1.232  -0.570
  159   2HB   GLN  19          1HB       GLN  19 -14.461  -2.650  -0.653
  160   1HG   GLN  19          2HG       GLN  19 -15.839  -1.663  -2.285
  161   2HG   GLN  19          1HG       GLN  19 -15.121  -0.076  -2.051
  162   1HE2  GLN  19          1HE2      GLN  19 -13.240  -3.020  -2.246
  163   2HE2  GLN  19          2HE2      GLN  19 -12.517  -2.670  -3.768
  164    H    GLY  20           H        GLY  20 -13.756  -0.242   2.321
  165   1HA   GLY  20          2HA       GLY  20 -13.297  -1.002   4.473
  166   2HA   GLY  20          1HA       GLY  20 -14.410  -2.340   4.223
  167    H    ARG  21           H        ARG  21 -12.650  -2.562   1.531
  168    HA   ARG  21           HA       ARG  21 -10.220  -3.718   2.598
  169   1HB   ARG  21          2HB       ARG  21 -10.668  -6.019   1.964
  170   2HB   ARG  21          1HB       ARG  21 -11.873  -5.467   3.119
  171   1HG   ARG  21          2HG       ARG  21 -13.358  -4.990   1.086
  172   2HG   ARG  21          1HG       ARG  21 -12.199  -5.956   0.170
  173   1HD   ARG  21          2HD       ARG  21 -13.952  -7.424   0.823
  174   2HD   ARG  21          1HD       ARG  21 -12.568  -7.801   1.851
  175    HE   ARG  21           HE       ARG  21 -14.647  -5.979   2.839
  176   1HH1  ARG  21          1HH1      ARG  21 -13.045  -9.026   3.064
  177   2HH1  ARG  21          2HH1      ARG  21 -13.725  -9.385   4.609
  178   1HH2  ARG  21          1HH2      ARG  21 -15.508  -6.450   4.793
  179   2HH2  ARG  21          2HH2      ARG  21 -15.099  -7.929   5.589
  180    H    PHE  22           H        PHE  22  -8.631  -3.921   1.080
  181    HA   PHE  22           HA       PHE  22  -9.409  -3.728  -1.752
  182   1HB   PHE  22          2HB       PHE  22  -7.081  -2.733  -2.108
  183   2HB   PHE  22          1HB       PHE  22  -8.306  -1.703  -1.404
  184    HD1  PHE  22           HD2      PHE  22  -8.284  -1.830   1.312
  185    HD2  PHE  22           HD1      PHE  22  -4.978  -2.553  -1.280
  186    HE1  PHE  22           HE2      PHE  22  -6.739  -1.222   3.120
  187    HE2  PHE  22           HE1      PHE  22  -3.430  -1.943   0.527
  188    HZ   PHE  22           HZ       PHE  22  -4.309  -1.274   2.729
  189    H    GLU  23           H        GLU  23  -9.092  -5.519  -2.809
  190    HA   GLU  23           HA       GLU  23  -7.401  -7.623  -1.832
  191   1HB   GLU  23          2HB       GLU  23  -8.186  -8.842  -3.854
  192   2HB   GLU  23          1HB       GLU  23  -9.494  -8.193  -2.874
  193   1HG   GLU  23          2HG       GLU  23  -9.550  -6.229  -4.469
  194   2HG   GLU  23          1HG       GLU  23  -8.470  -7.158  -5.508
  195    H    GLY  24           H        GLY  24  -6.580  -4.877  -3.355
  196   1HA   GLY  24          2HA       GLY  24  -4.076  -4.843  -3.708
  197   2HA   GLY  24          1HA       GLY  24  -4.372  -6.124  -4.873
  198    H    SER  25           H        SER  25  -3.049  -3.830  -5.617
  199    HA   SER  25           HA       SER  25  -4.821  -1.995  -6.950
  200   1HB   SER  25          2HB       SER  25  -1.857  -2.507  -7.366
  201   2HB   SER  25          1HB       SER  25  -2.760  -1.149  -8.034
  202    HG   SER  25           HG       SER  25  -2.944  -0.261  -6.065
  203    H    ALA  26           H        ALA  26  -4.360  -1.671  -9.465
  204    HA   ALA  26           HA       ALA  26  -5.507  -3.796 -10.859
  205   1HB   ALA  26          1HB       ALA  26  -4.853  -2.609 -12.910
  206   2HB   ALA  26          2HB       ALA  26  -3.766  -1.586 -11.970
  207   3HB   ALA  26          3HB       ALA  26  -5.506  -1.504 -11.701
  208    H    VAL  27           H        VAL  27  -2.080  -2.800 -10.895
  209    HA   VAL  27           HA       VAL  27  -1.019  -4.927 -12.347
  210    HB   VAL  27           HB       VAL  27   0.286  -3.421 -10.055
  211   1HG1  VAL  27          1HG1      VAL  27   2.422  -4.047 -11.098
  212   2HG1  VAL  27          2HG1      VAL  27   1.556  -5.017 -12.291
  213   3HG1  VAL  27          3HG1      VAL  27   1.511  -5.469 -10.587
  214   1HG2  VAL  27          1HG2      VAL  27   1.235  -1.982 -11.801
  215   2HG2  VAL  27          2HG2      VAL  27  -0.528  -1.923 -11.806
  216   3HG2  VAL  27          3HG2      VAL  27   0.327  -2.867 -13.028
  217    H    ASP  28           H        ASP  28  -1.385  -4.622  -8.826
  218    HA   ASP  28           HA       ASP  28  -0.252  -6.975  -7.956
  219   1HB   ASP  28          2HB       ASP  28  -2.726  -5.676  -6.782
  220   2HB   ASP  28          1HB       ASP  28  -1.591  -6.721  -5.938
  221    H    LEU  29           H        LEU  29  -3.748  -6.473  -8.467
  222    HA   LEU  29           HA       LEU  29  -4.528  -9.131  -8.067
  223   1HB   LEU  29          2HB       LEU  29  -6.017  -7.111  -8.057
  224   2HB   LEU  29          1HB       LEU  29  -5.904  -7.073  -9.806
  225    HG   LEU  29           HG       LEU  29  -6.952  -9.347  -9.874
  226   1HD1  LEU  29          1HD1      LEU  29  -8.088 -10.182  -7.873
  227   2HD1  LEU  29          2HD1      LEU  29  -7.382  -8.873  -6.921
  228   3HD1  LEU  29          3HD1      LEU  29  -6.342 -10.104  -7.637
  229   1HD2  LEU  29          1HD2      LEU  29  -8.582  -7.213  -8.482
  230   2HD2  LEU  29          2HD2      LEU  29  -9.218  -8.573  -9.410
  231   3HD2  LEU  29          3HD2      LEU  29  -8.285  -7.316 -10.219
  232    H    ALA  30           H        ALA  30  -3.225  -7.536 -10.884
  233    HA   ALA  30           HA       ALA  30  -4.074  -9.392 -12.852
  234   1HB   ALA  30          1HB       ALA  30  -3.367  -7.111 -13.384
  235   2HB   ALA  30          2HB       ALA  30  -2.458  -8.304 -14.310
  236   3HB   ALA  30          3HB       ALA  30  -1.714  -7.513 -12.918
  237    H    ASP  31           H        ASP  31  -0.991  -9.159 -11.007
  238    HA   ASP  31           HA       ASP  31  -0.037 -11.560 -12.368
  239   1HB   ASP  31          2HB       ASP  31   2.054 -11.202 -10.968
  240   2HB   ASP  31          1HB       ASP  31   1.678  -9.980 -12.173
  241    H    GLY  32           H        GLY  32  -1.183 -10.661  -9.140
  242   1HA   GLY  32          2HA       GLY  32  -2.340 -13.021  -8.517
  243   2HA   GLY  32          1HA       GLY  32  -0.661 -13.343  -8.134
  244    H    PHE  33           H        PHE  33   0.316 -11.413  -6.728
  245    HA   PHE  33           HA       PHE  33  -1.527 -11.266  -4.420
  246   1HB   PHE  33          2HB       PHE  33   1.496 -11.463  -4.371
  247   2HB   PHE  33          1HB       PHE  33   0.433 -11.440  -2.970
  248    HD1  PHE  33           HD1      PHE  33  -1.297 -13.336  -2.774
  249    HD2  PHE  33           HD2      PHE  33   2.091 -13.498  -5.358
  250    HE1  PHE  33           HE1      PHE  33  -1.481 -15.786  -2.856
  251    HE2  PHE  33           HE2      PHE  33   1.908 -15.952  -5.440
  252    HZ   PHE  33           HZ       PHE  33   0.121 -17.100  -4.189
  253    H    ILE  34           H        ILE  34  -1.095  -9.534  -2.856
  254    HA   ILE  34           HA       ILE  34  -1.113  -6.998  -4.115
  255    HB   ILE  34           HB       ILE  34  -0.834  -7.671  -1.181
  256   1HG1  ILE  34          2HG1      ILE  34  -3.298  -7.067  -2.842
  257   2HG1  ILE  34          1HG1      ILE  34  -2.851  -8.644  -2.204
  258   1HG2  ILE  34          1HG2      ILE  34  -1.681  -5.080  -2.487
  259   2HG2  ILE  34          2HG2      ILE  34  -0.165  -5.365  -1.631
  260   3HG2  ILE  34          3HG2      ILE  34  -1.694  -5.414  -0.755
  261   1HD1  ILE  34          1HD1      ILE  34  -3.112  -7.791   0.070
  262   2HD1  ILE  34          2HD1      ILE  34  -4.594  -7.628  -0.872
  263   3HD1  ILE  34          3HD1      ILE  34  -3.578  -6.218  -0.579
  264    H    HIS  35           H        HIS  35   0.429  -5.436  -4.334
  265    HA   HIS  35           HA       HIS  35   3.201  -6.243  -3.858
  266   1HB   HIS  35          2HB       HIS  35   1.987  -3.994  -5.474
  267   2HB   HIS  35          1HB       HIS  35   3.721  -4.208  -5.264
  268    HD1  HIS  35           HD1      HIS  35   4.504  -4.976  -7.493
  269    HD2  HIS  35           HD2      HIS  35   1.092  -7.001  -6.268
  270    HE1  HIS  35           HE1      HIS  35   4.099  -6.727  -9.240
  271    HE2  HIS  35           HE2      HIS  35   1.916  -7.788  -8.586
  272    H    LEU  36           H        LEU  36   4.237  -5.609  -2.105
  273    HA   LEU  36           HA       LEU  36   3.603  -2.988  -0.900
  274   1HB   LEU  36          2HB       LEU  36   4.781  -5.432   0.440
  275   2HB   LEU  36          1HB       LEU  36   4.410  -3.907   1.225
  276    HG   LEU  36           HG       LEU  36   2.342  -5.730  -0.030
  277   1HD1  LEU  36          1HD1      LEU  36   1.711  -6.334   2.242
  278   2HD1  LEU  36          2HD1      LEU  36   3.037  -5.363   2.884
  279   3HD1  LEU  36          3HD1      LEU  36   3.382  -6.792   1.910
  280   1HD2  LEU  36          1HD2      LEU  36   1.680  -3.376   0.010
  281   2HD2  LEU  36          2HD2      LEU  36   2.027  -3.300   1.738
  282   3HD2  LEU  36          3HD2      LEU  36   0.723  -4.328   1.143
  283    H    SER  37           H        SER  37   5.573  -2.059   0.303
  284    HA   SER  37           HA       SER  37   8.115  -2.745  -1.003
  285   1HB   SER  37          2HB       SER  37   6.879   0.015  -0.960
  286   2HB   SER  37          1HB       SER  37   8.577  -0.283  -1.323
  287    HG   SER  37           HG       SER  37   6.817  -1.835  -2.767
  288    H    ALA  38           H        ALA  38  10.000  -1.974   0.078
  289    HA   ALA  38           HA       ALA  38   9.558  -1.448   2.950
  290   1HB   ALA  38          1HB       ALA  38  11.877  -2.866   1.630
  291   2HB   ALA  38          2HB       ALA  38  10.553  -3.640   2.499
  292   3HB   ALA  38          3HB       ALA  38  11.681  -2.593   3.361
  293    H    GLY  39           H        GLY  39   9.984   0.602   3.471
  294   1HA   GLY  39          2HA       GLY  39  10.896   2.719   3.484
  295   2HA   GLY  39          1HA       GLY  39  12.414   1.844   3.465
  296    H    GLU  40           H        GLU  40  13.725   2.084   1.768
  297    HA   GLU  40           HA       GLU  40  13.533   4.170  -0.016
  298   1HB   GLU  40          2HB       GLU  40  15.638   3.056   0.479
  299   2HB   GLU  40          1HB       GLU  40  15.082   1.585  -0.309
  300   1HG   GLU  40          2HG       GLU  40  14.979   2.822  -2.455
  301   2HG   GLU  40          1HG       GLU  40  15.656   4.231  -1.641
  302    H    GLN  41           H        GLN  41  12.704   0.766  -0.646
  303    HA   GLN  41           HA       GLN  41  12.284   0.963  -3.402
  304   1HB   GLN  41          2HB       GLN  41  10.967  -0.896  -1.415
  305   2HB   GLN  41          1HB       GLN  41  10.933  -1.104  -3.162
  306   1HG   GLN  41          2HG       GLN  41  13.361  -1.328  -3.198
  307   2HG   GLN  41          1HG       GLN  41  13.419  -1.082  -1.455
  308   1HE2  GLN  41          1HE2      GLN  41  10.942  -2.985  -3.055
  309   2HE2  GLN  41          2HE2      GLN  41  11.465  -4.510  -2.437
  310    H    ALA  42           H        ALA  42  10.213   1.962  -0.785
  311    HA   ALA  42           HA       ALA  42   7.786   2.121  -2.290
  312   1HB   ALA  42          1HB       ALA  42   6.928   3.431  -0.415
  313   2HB   ALA  42          2HB       ALA  42   8.559   3.588   0.238
  314   3HB   ALA  42          3HB       ALA  42   7.789   2.004   0.161
  315    H    GLN  43           H        GLN  43  10.227   4.544  -1.333
  316    HA   GLN  43           HA       GLN  43   8.989   6.729  -2.647
  317   1HB   GLN  43          2HB       GLN  43  10.714   6.873  -0.813
  318   2HB   GLN  43          1HB       GLN  43  11.930   6.431  -2.002
  319   1HG   GLN  43          2HG       GLN  43  11.533   8.436  -3.251
  320   2HG   GLN  43          1HG       GLN  43  10.148   8.847  -2.240
  321   1HE2  GLN  43          1HE2      GLN  43  10.969  10.797  -1.576
  322   2HE2  GLN  43          2HE2      GLN  43  12.331  10.943  -0.522
  323    H    GLU  44           H        GLU  44  11.444   4.393  -3.666
  324    HA   GLU  44           HA       GLU  44  12.032   5.458  -6.196
  325   1HB   GLU  44          2HB       GLU  44  12.009   2.598  -5.209
  326   2HB   GLU  44          1HB       GLU  44  12.617   3.066  -6.792
  327   1HG   GLU  44          2HG       GLU  44  13.695   4.097  -4.169
  328   2HG   GLU  44          1HG       GLU  44  14.386   2.760  -5.085
  329    H    THR  45           H        THR  45   9.625   2.932  -5.338
  330    HA   THR  45           HA       THR  45   8.439   2.686  -7.863
  331    HB   THR  45           HB       THR  45   7.075   2.375  -5.170
  332    HG1  THR  45           HG1      THR  45   8.262   0.635  -5.055
  333   1HG2  THR  45          1HG2      THR  45   5.472   2.578  -7.050
  334   2HG2  THR  45          2HG2      THR  45   5.468   0.959  -6.349
  335   3HG2  THR  45          3HG2      THR  45   6.295   1.255  -7.878
  336    H    ALA  46           H        ALA  46   7.868   5.046  -5.300
  337    HA   ALA  46           HA       ALA  46   5.616   6.326  -6.376
  338   1HB   ALA  46          1HB       ALA  46   6.278   8.264  -5.052
  339   2HB   ALA  46          2HB       ALA  46   7.891   7.585  -4.834
  340   3HB   ALA  46          3HB       ALA  46   6.493   6.780  -4.124
  341    H    ALA  47           H        ALA  47   9.072   7.178  -6.796
  342    HA   ALA  47           HA       ALA  47   8.700   9.205  -8.701
  343   1HB   ALA  47          1HB       ALA  47  11.070   8.958  -9.195
  344   2HB   ALA  47          2HB       ALA  47  11.094   7.388  -8.391
  345   3HB   ALA  47          3HB       ALA  47  10.791   8.852  -7.457
  346    H    LYS  48           H        LYS  48   8.835   5.722  -9.084
  347    HA   LYS  48           HA       LYS  48   9.097   5.724 -11.929
  348   1HB   LYS  48          2HB       LYS  48   8.272   3.587  -9.954
  349   2HB   LYS  48          1HB       LYS  48   8.508   3.301 -11.667
  350   1HG   LYS  48          2HG       LYS  48  10.856   3.887 -11.486
  351   2HG   LYS  48          1HG       LYS  48  10.637   4.291  -9.780
  352   1HD   LYS  48          2HD       LYS  48  10.037   1.968  -9.294
  353   2HD   LYS  48          1HD       LYS  48  10.211   1.556 -11.003
  354   1HE   LYS  48          2HE       LYS  48  12.435   2.620  -9.254
  355   2HE   LYS  48          1HE       LYS  48  12.175   0.916  -9.617
  356   1HZ   LYS  48          1HZ       LYS  48  12.708   3.019 -11.643
  357   2HZ   LYS  48          2HZ       LYS  48  12.549   1.359 -11.940
  358   3HZ   LYS  48          3HZ       LYS  48  13.860   1.938 -11.039
  359    H    TRP  49           H        TRP  49   6.359   5.280  -9.695
  360    HA   TRP  49           HA       TRP  49   4.510   5.182 -11.990
  361   1HB   TRP  49          2HB       TRP  49   4.179   4.082  -9.192
  362   2HB   TRP  49          1HB       TRP  49   2.934   4.040 -10.435
  363    HD1  TRP  49           HD1      TRP  49   6.453   2.575  -9.737
  364    HE1  TRP  49           HE1      TRP  49   6.659   0.344 -11.006
  365    HE3  TRP  49           HE3      TRP  49   2.013   2.665 -12.275
  366    HZ2  TRP  49           HZ2      TRP  49   5.142  -1.175 -12.838
  367    HZ3  TRP  49           HZ3      TRP  49   1.471   0.787 -13.764
  368    HH2  TRP  49           HH2      TRP  49   3.002  -1.092 -14.040
  369    H    PHE  50           H        PHE  50   4.599   6.327  -8.606
  370    HA   PHE  50           HA       PHE  50   2.311   8.076  -9.153
  371   1HB   PHE  50          2HB       PHE  50   3.608   7.354  -6.510
  372   2HB   PHE  50          1HB       PHE  50   2.104   8.245  -6.717
  373    HD1  PHE  50           HD1      PHE  50   0.079   7.101  -7.543
  374    HD2  PHE  50           HD2      PHE  50   3.678   4.965  -6.731
  375    HE1  PHE  50           HE1      PHE  50  -1.173   4.984  -7.560
  376    HE2  PHE  50           HE2      PHE  50   2.424   2.848  -6.737
  377    HZ   PHE  50           HZ       PHE  50   0.000   2.854  -7.156
  378    H    ARG  51           H        ARG  51   4.092   9.261 -10.469
  379    HA   ARG  51           HA       ARG  51   6.075  10.739  -9.056
  380   1HB   ARG  51          2HB       ARG  51   6.271   9.965 -11.407
  381   2HB   ARG  51          1HB       ARG  51   5.048  11.139 -11.870
  382   1HG   ARG  51          2HG       ARG  51   6.480  12.963 -11.376
  383   2HG   ARG  51          1HG       ARG  51   7.640  11.917 -10.551
  384   1HD   ARG  51          2HD       ARG  51   6.978  11.880 -13.501
  385   2HD   ARG  51          1HD       ARG  51   8.456  12.510 -12.769
  386    HE   ARG  51           HE       ARG  51   8.317   9.916 -11.918
  387   1HH1  ARG  51          1HH1      ARG  51   8.408  11.456 -14.999
  388   2HH1  ARG  51          2HH1      ARG  51   9.133  10.092 -15.774
  389   1HH2  ARG  51          1HH2      ARG  51   9.245   8.194 -12.905
  390   2HH2  ARG  51          2HH2      ARG  51   9.612   8.254 -14.594
  391    H    GLY  52           H        GLY  52   2.845  11.558 -10.216
  392   1HA   GLY  52          2HA       GLY  52   2.481  13.616  -8.343
  393   2HA   GLY  52          1HA       GLY  52   3.018  14.358  -9.839
  394    H    GLN  53           H        GLN  53   0.604  11.947  -8.745
  395    HA   GLN  53           HA       GLN  53  -1.272  13.073 -10.711
  396   1HB   GLN  53          2HB       GLN  53  -1.268  10.418  -9.266
  397   2HB   GLN  53          1HB       GLN  53  -2.626  10.983 -10.226
  398   1HG   GLN  53          2HG       GLN  53  -1.511   9.627 -11.720
  399   2HG   GLN  53          1HG       GLN  53  -0.887  11.218 -12.135
  400   1HE2  GLN  53          1HE2      GLN  53  -0.154   8.112 -10.845
  401   2HE2  GLN  53          2HE2      GLN  53   1.560   8.309 -10.777
  402    H    ALA  54           H        ALA  54  -0.600  14.237  -8.094
  403    HA   ALA  54           HA       ALA  54  -1.551  15.335  -6.349
  404   1HB   ALA  54          1HB       ALA  54  -2.794  16.369  -8.176
  405   2HB   ALA  54          2HB       ALA  54  -3.772  16.263  -6.711
  406   3HB   ALA  54          3HB       ALA  54  -4.041  15.130  -8.037
  407    H    ASN  55           H        ASN  55  -1.959  14.643  -4.359
  408    HA   ASN  55           HA       ASN  55  -2.677  13.428  -2.602
  409   1HB   ASN  55          2HB       ASN  55  -5.085  13.036  -4.376
  410   2HB   ASN  55          1HB       ASN  55  -4.995  12.402  -2.736
  411   1HD2  ASN  55          1HD2      ASN  55  -3.571  14.577  -1.584
  412   2HD2  ASN  55          2HD2      ASN  55  -4.641  15.928  -1.543
  413    H    LEU  56           H        LEU  56  -1.044  11.998  -2.646
  414    HA   LEU  56           HA       LEU  56  -1.630   9.315  -3.729
  415   1HB   LEU  56          2HB       LEU  56   1.080  10.622  -3.366
  416   2HB   LEU  56          1HB       LEU  56   0.792   9.010  -4.000
  417    HG   LEU  56           HG       LEU  56  -0.184  11.547  -5.328
  418   1HD1  LEU  56          1HD1      LEU  56   1.624  11.176  -6.959
  419   2HD1  LEU  56          2HD1      LEU  56   2.254   9.879  -5.942
  420   3HD1  LEU  56          3HD1      LEU  56   2.234  11.537  -5.344
  421   1HD2  LEU  56          1HD2      LEU  56  -0.047   8.694  -6.317
  422   2HD2  LEU  56          2HD2      LEU  56  -0.562  10.090  -7.266
  423   3HD2  LEU  56          3HD2      LEU  56  -1.511   9.572  -5.872
  424    H    VAL  57           H        VAL  57  -2.082   7.961  -2.088
  425    HA   VAL  57           HA       VAL  57  -1.444   8.762   0.625
  426    HB   VAL  57           HB       VAL  57  -3.069   6.402  -0.348
  427   1HG1  VAL  57          1HG1      VAL  57  -3.975   6.361   1.943
  428   2HG1  VAL  57          2HG1      VAL  57  -2.852   7.642   2.404
  429   3HG1  VAL  57          3HG1      VAL  57  -2.237   6.060   1.918
  430   1HG2  VAL  57          1HG2      VAL  57  -3.955   9.145   0.571
  431   2HG2  VAL  57          2HG2      VAL  57  -5.030   7.793   0.212
  432   3HG2  VAL  57          3HG2      VAL  57  -4.054   8.509  -1.071
  433    H    LEU  58           H        LEU  58   0.148   7.980   1.816
  434    HA   LEU  58           HA       LEU  58   1.565   5.538   1.038
  435   1HB   LEU  58          2HB       LEU  58   2.941   7.488   1.538
  436   2HB   LEU  58          1HB       LEU  58   2.179   7.659   3.107
  437    HG   LEU  58           HG       LEU  58   3.171   5.495   3.809
  438   1HD1  LEU  58          1HD1      LEU  58   4.965   4.504   2.446
  439   2HD1  LEU  58          2HD1      LEU  58   4.560   5.610   1.132
  440   3HD1  LEU  58          3HD1      LEU  58   3.388   4.404   1.664
  441   1HD2  LEU  58          1HD2      LEU  58   4.303   7.602   4.327
  442   2HD2  LEU  58          2HD2      LEU  58   5.187   7.509   2.802
  443   3HD2  LEU  58          3HD2      LEU  58   5.459   6.298   4.056
  444    H    LEU  59           H        LEU  59   0.768   3.691   1.865
  445    HA   LEU  59           HA       LEU  59  -0.606   3.665   4.434
  446   1HB   LEU  59          2HB       LEU  59   0.000   1.409   2.515
  447   2HB   LEU  59          1HB       LEU  59  -1.013   1.288   3.942
  448    HG   LEU  59           HG       LEU  59  -1.592   2.957   1.489
  449   1HD1  LEU  59          1HD1      LEU  59  -2.927   0.463   2.546
  450   2HD1  LEU  59          2HD1      LEU  59  -1.905   0.568   1.112
  451   3HD1  LEU  59          3HD1      LEU  59  -3.454   1.409   1.153
  452   1HD2  LEU  59          1HD2      LEU  59  -3.766   3.396   2.565
  453   2HD2  LEU  59          2HD2      LEU  59  -2.416   4.086   3.463
  454   3HD2  LEU  59          3HD2      LEU  59  -3.184   2.601   4.028
  455    H    ALA  60           H        ALA  60   0.658   3.725   6.170
  456    HA   ALA  60           HA       ALA  60   3.117   2.101   6.238
  457   1HB   ALA  60          1HB       ALA  60   2.271   4.347   8.074
  458   2HB   ALA  60          2HB       ALA  60   3.413   4.484   6.737
  459   3HB   ALA  60          3HB       ALA  60   3.805   3.477   8.129
  460    H    VAL  61           H        VAL  61   2.558   0.095   6.870
  461    HA   VAL  61           HA       VAL  61   0.759  -0.187   9.201
  462    HB   VAL  61           HB       VAL  61   1.230  -2.200   6.988
  463   1HG1  VAL  61          1HG1      VAL  61  -0.671  -3.408   7.984
  464   2HG1  VAL  61          2HG1      VAL  61  -0.735  -2.221   9.288
  465   3HG1  VAL  61          3HG1      VAL  61   0.677  -3.264   9.114
  466   1HG2  VAL  61          1HG2      VAL  61   0.004  -0.245   6.174
  467   2HG2  VAL  61          2HG2      VAL  61  -1.158  -0.416   7.491
  468   3HG2  VAL  61          3HG2      VAL  61  -1.043  -1.663   6.249
  469    H    GLU  62           H        GLU  62   1.551  -1.137  10.996
  470    HA   GLU  62           HA       GLU  62   4.187  -2.246  11.106
  471   1HB   GLU  62          2HB       GLU  62   1.911  -2.368  13.110
  472   2HB   GLU  62          1HB       GLU  62   3.571  -2.855  13.439
  473   1HG   GLU  62          2HG       GLU  62   4.342  -0.582  13.032
  474   2HG   GLU  62          1HG       GLU  62   2.702  -0.077  12.646
  475    H    ALA  63           H        ALA  63   4.477  -3.977   9.829
  476    HA   ALA  63           HA       ALA  63   2.559  -5.456   8.608
  477   1HB   ALA  63          1HB       ALA  63   5.351  -6.422   9.179
  478   2HB   ALA  63          2HB       ALA  63   4.898  -5.296   7.901
  479   3HB   ALA  63          3HB       ALA  63   4.296  -6.955   7.869
  480    H    GLU  64           H        GLU  64   4.589  -6.905  11.183
  481    HA   GLU  64           HA       GLU  64   4.345  -8.786  12.432
  482   1HB   GLU  64          2HB       GLU  64   1.395  -8.430  11.835
  483   2HB   GLU  64          1HB       GLU  64   2.039  -9.640  12.935
  484   1HG   GLU  64          2HG       GLU  64   2.238  -6.651  13.240
  485   2HG   GLU  64          1HG       GLU  64   1.206  -7.741  14.166
  486    HA   PRO  65           HA       PRO  65   4.354 -12.290   9.611
  487   1HB   PRO  65          2HB       PRO  65   3.139 -13.858  11.833
  488   2HB   PRO  65          1HB       PRO  65   4.609 -14.174  10.903
  489   1HG   PRO  65          2HG       PRO  65   4.741 -13.285  13.422
  490   2HG   PRO  65          1HG       PRO  65   5.896 -12.735  12.195
  491   1HD   PRO  65          2HD       PRO  65   3.524 -11.310  13.337
  492   2HD   PRO  65          1HD       PRO  65   5.114 -10.669  12.877
  493    H    LEU  66           H        LEU  66   1.494 -11.843  11.680
  494    HA   LEU  66           HA       LEU  66  -0.745 -11.918  11.320
  495   1HB   LEU  66          2HB       LEU  66  -0.006 -12.093   8.391
  496   2HB   LEU  66          1HB       LEU  66  -1.642 -11.904   8.994
  497    HG   LEU  66           HG       LEU  66   0.605  -9.905   9.338
  498   1HD1  LEU  66          1HD1      LEU  66  -1.854  -9.840   7.585
  499   2HD1  LEU  66          2HD1      LEU  66  -0.181  -9.978   7.046
  500   3HD1  LEU  66          3HD1      LEU  66  -0.734  -8.497   7.827
  501   1HD2  LEU  66          1HD2      LEU  66  -1.120  -8.424  10.260
  502   2HD2  LEU  66          2HD2      LEU  66  -0.913  -9.870  11.247
  503   3HD2  LEU  66          3HD2      LEU  66  -2.299  -9.734  10.163
  504    H    GLY  67           H        GLY  67   0.842 -14.137   9.089
  505   1HA   GLY  67          2HA       GLY  67   0.085 -16.468  10.518
  506   2HA   GLY  67          1HA       GLY  67  -0.921 -16.262   9.088
  507    H    GLU  68           H        GLU  68   0.156 -16.119   7.019
  508    HA   GLU  68           HA       GLU  68   2.945 -16.972   6.890
  509   1HB   GLU  68          2HB       GLU  68   2.164 -18.464   5.027
  510   2HB   GLU  68          1HB       GLU  68   1.700 -18.987   6.630
  511   1HG   GLU  68          2HG       GLU  68  -0.528 -17.997   6.249
  512   2HG   GLU  68          1HG       GLU  68  -0.033 -17.558   4.615
  513    H    ASP  69           H        ASP  69   1.021 -14.548   6.287
  514    HA   ASP  69           HA       ASP  69   0.632 -14.438   3.496
  515   1HB   ASP  69          2HB       ASP  69   0.405 -12.283   5.596
  516   2HB   ASP  69          1HB       ASP  69  -0.208 -12.163   3.948
  517    H    LEU  70           H        LEU  70   2.924 -12.566   5.546
  518    HA   LEU  70           HA       LEU  70   3.638 -10.881   3.368
  519   1HB   LEU  70          2HB       LEU  70   3.795 -10.184   5.738
  520   2HB   LEU  70          1HB       LEU  70   5.138 -11.291   5.954
  521    HG   LEU  70           HG       LEU  70   6.458 -10.017   4.298
  522   1HD1  LEU  70          1HD1      LEU  70   4.098  -8.132   4.279
  523   2HD1  LEU  70          2HD1      LEU  70   4.635  -9.146   2.938
  524   3HD1  LEU  70          3HD1      LEU  70   5.661  -7.836   3.519
  525   1HD2  LEU  70          1HD2      LEU  70   5.338  -8.323   6.531
  526   2HD2  LEU  70          2HD2      LEU  70   6.853  -8.035   5.676
  527   3HD2  LEU  70          3HD2      LEU  70   6.663  -9.479   6.669
  528    H    LYS  71           H        LYS  71   4.434 -11.863   1.664
  529    HA   LYS  71           HA       LYS  71   6.634 -13.793   1.891
  530   1HB   LYS  71          2HB       LYS  71   4.761 -14.545   0.563
  531   2HB   LYS  71          1HB       LYS  71   4.782 -13.069  -0.390
  532   1HG   LYS  71          2HG       LYS  71   6.990 -13.714  -1.298
  533   2HG   LYS  71          1HG       LYS  71   6.895 -15.226  -0.391
  534   1HD   LYS  71          2HD       LYS  71   4.938 -15.907  -1.641
  535   2HD   LYS  71          1HD       LYS  71   4.868 -14.344  -2.457
  536   1HE   LYS  71          2HE       LYS  71   5.829 -15.981  -3.947
  537   2HE   LYS  71          1HE       LYS  71   7.070 -14.822  -3.481
  538   1HZ   LYS  71          1HZ       LYS  71   6.714 -17.544  -2.354
  539   2HZ   LYS  71          2HZ       LYS  71   7.892 -16.434  -1.861
  540   3HZ   LYS  71          3HZ       LYS  71   7.922 -17.057  -3.432
  541    H    TRP  72           H        TRP  72   8.547 -12.721   2.014
  542    HA   TRP  72           HA       TRP  72   9.111 -10.355   0.490
  543   1HB   TRP  72          2HB       TRP  72  10.882 -12.200   2.112
  544   2HB   TRP  72          1HB       TRP  72  11.482 -10.758   1.296
  545    HD1  TRP  72           HD1      TRP  72   9.219 -11.800   4.232
  546    HE1  TRP  72           HE1      TRP  72   8.920  -9.769   5.785
  547    HE3  TRP  72           HE3      TRP  72  11.530  -8.242   1.374
  548    HZ2  TRP  72           HZ2      TRP  72   9.574  -7.022   5.797
  549    HZ3  TRP  72           HZ3      TRP  72  11.645  -5.934   2.224
  550    HH2  TRP  72           HH2      TRP  72  10.686  -5.339   4.394
  551    H    GLU  73           H        GLU  73   9.093 -10.548  -1.661
  552    HA   GLU  73           HA       GLU  73   9.777 -12.938  -3.051
  553   1HB   GLU  73          2HB       GLU  73   8.131 -11.078  -3.741
  554   2HB   GLU  73          1HB       GLU  73   9.547 -10.211  -4.318
  555   1HG   GLU  73          2HG       GLU  73   8.557 -11.340  -6.167
  556   2HG   GLU  73          1HG       GLU  73  10.069 -12.161  -5.777
  557    H    ALA  74           H        ALA  74  11.873 -13.577  -2.888
  558    HA   ALA  74           HA       ALA  74  13.973 -11.682  -3.732
  559   1HB   ALA  74          1HB       ALA  74  15.574 -13.152  -2.651
  560   2HB   ALA  74          2HB       ALA  74  14.294 -14.303  -2.265
  561   3HB   ALA  74          3HB       ALA  74  14.296 -12.705  -1.517
  562    H    SER  75           H        SER  75  13.569 -11.884  -5.955
  563    HA   SER  75           HA       SER  75  14.042 -14.534  -7.182
  564   1HB   SER  75          2HB       SER  75  12.805 -13.652  -9.129
  565   2HB   SER  75          1HB       SER  75  11.832 -13.553  -7.662
  566    HG   SER  75           HG       SER  75  11.608 -11.552  -8.317
  567    H    ARG  76           H        ARG  76  14.430 -13.283  -9.851
  568    HA   ARG  76           HA       ARG  76  17.237 -12.831  -9.761
  569   1HB   ARG  76          2HB       ARG  76  15.226 -12.363 -11.975
  570   2HB   ARG  76          1HB       ARG  76  16.963 -12.185 -12.180
  571   1HG   ARG  76          2HG       ARG  76  17.242 -14.566 -11.538
  572   2HG   ARG  76          1HG       ARG  76  15.486 -14.718 -11.472
  573   1HD   ARG  76          2HD       ARG  76  17.079 -13.918 -13.912
  574   2HD   ARG  76          1HD       ARG  76  16.438 -15.531 -13.603
  575    HE   ARG  76           HE       ARG  76  14.193 -14.221 -13.528
  576   1HH1  ARG  76          1HH1      ARG  76  16.840 -13.566 -15.647
  577   2HH1  ARG  76          2HH1      ARG  76  15.808 -13.013 -16.918
  578   1HH2  ARG  76          1HH2      ARG  76  12.910 -13.499 -15.169
  579   2HH2  ARG  76          2HH2      ARG  76  13.630 -12.957 -16.650
  580    H    GLY  77           H        GLY  77  17.338 -11.137  -8.165
  581   1HA   GLY  77          2HA       GLY  77  17.817  -8.580  -9.178
  582   2HA   GLY  77          1HA       GLY  77  16.189  -8.572  -8.517
  583    H    GLY  78           H        GLY  78  18.268  -6.954  -7.519
  584   1HA   GLY  78          2HA       GLY  78  19.384  -8.210  -5.157
  585   2HA   GLY  78          1HA       GLY  78  19.584  -6.537  -5.642
  586    H    ALA  79           H        ALA  79  16.719  -5.999  -5.830
  587    HA   ALA  79           HA       ALA  79  16.270  -5.426  -3.022
  588   1HB   ALA  79          1HB       ALA  79  14.419  -4.053  -3.801
  589   2HB   ALA  79          2HB       ALA  79  14.597  -4.705  -5.431
  590   3HB   ALA  79          3HB       ALA  79  15.878  -3.714  -4.733
  591    H    ARG  80           H        ARG  80  14.885  -6.433  -1.672
  592    HA   ARG  80           HA       ARG  80  13.336  -8.709  -2.645
  593   1HB   ARG  80          2HB       ARG  80  13.857  -7.658   0.150
  594   2HB   ARG  80          1HB       ARG  80  12.914  -9.102  -0.202
  595   1HG   ARG  80          2HG       ARG  80  14.831 -10.226  -1.094
  596   2HG   ARG  80          1HG       ARG  80  15.796  -8.750  -1.025
  597   1HD   ARG  80          2HD       ARG  80  14.650 -10.191   1.378
  598   2HD   ARG  80          1HD       ARG  80  16.318 -10.324   0.815
  599    HE   ARG  80           HE       ARG  80  15.581  -7.612   1.268
  600   1HH1  ARG  80          1HH1      ARG  80  16.578 -10.484   2.904
  601   2HH1  ARG  80          2HH1      ARG  80  17.249  -9.601   4.232
  602   1HH2  ARG  80          1HH2      ARG  80  16.450  -6.520   2.978
  603   2HH2  ARG  80          2HH2      ARG  80  17.176  -7.408   4.275
  604    H    PHE  81           H        PHE  81  11.271  -8.468  -3.271
  605    HA   PHE  81           HA       PHE  81   9.808  -6.053  -2.437
  606   1HB   PHE  81          2HB       PHE  81   9.260  -7.989  -4.700
  607   2HB   PHE  81          1HB       PHE  81   8.320  -6.541  -4.358
  608    HD1  PHE  81           HD2      PHE  81   9.320  -4.301  -4.697
  609    HD2  PHE  81           HD1      PHE  81  11.370  -7.867  -5.822
  610    HE1  PHE  81           HE2      PHE  81  10.842  -2.980  -6.112
  611    HE2  PHE  81           HE1      PHE  81  12.893  -6.549  -7.229
  612    HZ   PHE  81           HZ       PHE  81  12.633  -4.107  -7.379
  613    HA   PRO  82           HA       PRO  82   7.463  -8.799   0.296
  614   1HB   PRO  82          2HB       PRO  82   6.012  -6.324   0.983
  615   2HB   PRO  82          1HB       PRO  82   6.930  -7.412   2.026
  616   1HG   PRO  82          2HG       PRO  82   7.841  -4.963   1.386
  617   2HG   PRO  82          1HG       PRO  82   8.936  -6.343   1.601
  618   1HD   PRO  82          2HD       PRO  82   7.922  -5.105  -0.938
  619   2HD   PRO  82          1HD       PRO  82   9.554  -5.687  -0.544
  620    H    HIS  83           H        HIS  83   5.674  -9.943  -0.132
  621    HA   HIS  83           HA       HIS  83   3.474  -8.680  -1.653
  622   1HB   HIS  83          2HB       HIS  83   4.594 -11.477  -1.837
  623   2HB   HIS  83          1HB       HIS  83   2.963 -11.107  -2.382
  624    HD1  HIS  83           HD1      HIS  83   5.951 -11.745  -3.911
  625    HD2  HIS  83           HD2      HIS  83   3.375  -8.490  -4.145
  626    HE1  HIS  83           HE1      HIS  83   6.428 -10.669  -6.119
  627    HE2  HIS  83           HE2      HIS  83   4.656  -8.909  -6.348
  628    H    LEU  84           H        LEU  84   1.319  -9.341  -1.139
  629    HA   LEU  84           HA       LEU  84   1.010 -10.690   1.477
  630   1HB   LEU  84          2HB       LEU  84   0.539  -8.204   1.476
  631   2HB   LEU  84          1HB       LEU  84  -0.796  -8.528   0.389
  632    HG   LEU  84           HG       LEU  84  -1.785 -10.014   2.166
  633   1HD1  LEU  84          1HD1      LEU  84  -0.979  -9.743   4.459
  634   2HD1  LEU  84          2HD1      LEU  84   0.372  -8.772   3.871
  635   3HD1  LEU  84          3HD1      LEU  84   0.245 -10.471   3.422
  636   1HD2  LEU  84          1HD2      LEU  84  -1.356  -7.108   2.872
  637   2HD2  LEU  84          2HD2      LEU  84  -2.619  -8.149   3.533
  638   3HD2  LEU  84          3HD2      LEU  84  -2.612  -7.755   1.815
  639    H    TYR  85           H        TYR  85  -0.624 -12.222   1.660
  640    HA   TYR  85           HA       TYR  85  -1.514 -13.363  -0.836
  641   1HB   TYR  85          2HB       TYR  85  -1.896 -14.279   2.016
  642   2HB   TYR  85          1HB       TYR  85  -2.429 -15.189   0.610
  643    HD1  TYR  85           HD2      TYR  85   0.403 -13.999  -0.729
  644    HD2  TYR  85           HD1      TYR  85  -0.748 -16.505   2.524
  645    HE1  TYR  85           HE2      TYR  85   2.582 -15.132  -0.828
  646    HE2  TYR  85           HE1      TYR  85   1.427 -17.638   2.426
  647    HH   TYR  85           HH       TYR  85   3.212 -18.047   0.794
  648    H    ARG  86           H        ARG  86  -3.263 -12.523   2.145
  649    HA   ARG  86           HA       ARG  86  -5.836 -12.899   0.959
  650   1HB   ARG  86          2HB       ARG  86  -5.286 -11.368   3.501
  651   2HB   ARG  86          1HB       ARG  86  -6.758 -12.217   3.051
  652   1HG   ARG  86          2HG       ARG  86  -5.602 -14.354   3.257
  653   2HG   ARG  86          1HG       ARG  86  -4.107 -13.513   3.664
  654   1HD   ARG  86          2HD       ARG  86  -6.534 -13.991   5.310
  655   2HD   ARG  86          1HD       ARG  86  -4.837 -13.991   5.777
  656    HE   ARG  86           HE       ARG  86  -6.658 -11.796   5.898
  657   1HH1  ARG  86          1HH1      ARG  86  -3.314 -12.544   5.480
  658   2HH1  ARG  86          2HH1      ARG  86  -2.794 -11.039   6.154
  659   1HH2  ARG  86          1HH2      ARG  86  -5.974  -9.883   6.761
  660   2HH2  ARG  86          2HH2      ARG  86  -4.286  -9.527   6.864
  661    HA   PRO  87           HA       PRO  87  -6.921  -8.757  -0.531
  662   1HB   PRO  87          2HB       PRO  87  -9.469  -9.247   0.954
  663   2HB   PRO  87          1HB       PRO  87  -9.223  -8.743  -0.723
  664   1HG   PRO  87          2HG       PRO  87  -9.956 -11.241  -0.167
  665   2HG   PRO  87          1HG       PRO  87  -8.768 -10.913  -1.446
  666   1HD   PRO  87          2HD       PRO  87  -8.324 -11.915   1.345
  667   2HD   PRO  87          1HD       PRO  87  -7.526 -12.401  -0.167
  668    H    LEU  88           H        LEU  88  -6.057  -7.020   0.471
  669    HA   LEU  88           HA       LEU  88  -5.566  -7.003   3.250
  670   1HB   LEU  88          2HB       LEU  88  -4.344  -5.841   1.206
  671   2HB   LEU  88          1HB       LEU  88  -5.376  -4.493   1.631
  672    HG   LEU  88           HG       LEU  88  -3.523  -5.825   3.617
  673   1HD1  LEU  88          1HD1      LEU  88  -1.985  -3.968   3.273
  674   2HD1  LEU  88          2HD1      LEU  88  -2.998  -3.351   1.968
  675   3HD1  LEU  88          3HD1      LEU  88  -2.185  -4.908   1.795
  676   1HD2  LEU  88          1HD2      LEU  88  -5.047  -3.221   3.634
  677   2HD2  LEU  88          2HD2      LEU  88  -3.808  -3.659   4.815
  678   3HD2  LEU  88          3HD2      LEU  88  -5.285  -4.615   4.692
  679    H    LEU  89           H        LEU  89  -6.949  -6.541   4.825
  680    HA   LEU  89           HA       LEU  89  -9.409  -5.114   4.349
  681   1HB   LEU  89          2HB       LEU  89  -8.229  -6.036   6.977
  682   2HB   LEU  89          1HB       LEU  89  -9.895  -5.570   6.687
  683    HG   LEU  89           HG       LEU  89  -8.507  -8.005   5.545
  684   1HD1  LEU  89          1HD1      LEU  89 -10.018  -9.281   6.965
  685   2HD1  LEU  89          2HD1      LEU  89 -10.696  -7.788   7.614
  686   3HD1  LEU  89          3HD1      LEU  89  -9.011  -8.202   7.931
  687   1HD2  LEU  89          1HD2      LEU  89 -10.740  -8.622   4.698
  688   2HD2  LEU  89          2HD2      LEU  89 -10.117  -7.154   3.949
  689   3HD2  LEU  89          3HD2      LEU  89 -11.354  -7.045   5.203
  690    H    VAL  90           H        VAL  90  -9.797  -2.978   4.673
  691    HA   VAL  90           HA       VAL  90  -7.721  -1.142   5.131
  692    HB   VAL  90           HB       VAL  90 -10.710  -0.718   5.376
  693   1HG1  VAL  90          1HG1      VAL  90 -10.198   1.684   5.046
  694   2HG1  VAL  90          2HG1      VAL  90  -8.479   1.315   5.186
  695   3HG1  VAL  90          3HG1      VAL  90  -9.551   1.055   6.561
  696   1HG2  VAL  90          1HG2      VAL  90  -8.805  -0.183   3.090
  697   2HG2  VAL  90          2HG2      VAL  90 -10.530   0.184   3.105
  698   3HG2  VAL  90          3HG2      VAL  90  -9.985  -1.491   3.169
  699    H    SER  91           H        SER  91 -10.020  -2.605   7.368
  700    HA   SER  91           HA       SER  91  -9.430  -1.017   9.633
  701   1HB   SER  91          2HB       SER  91 -10.384  -2.921  10.938
  702   2HB   SER  91          1HB       SER  91 -11.411  -2.423   9.593
  703    HG   SER  91           HG       SER  91 -10.721  -4.820  10.025
  704    H    GLU  92           H        GLU  92  -7.781  -3.725   8.178
  705    HA   GLU  92           HA       GLU  92  -6.069  -4.297  10.409
  706   1HB   GLU  92          2HB       GLU  92  -6.660  -5.974   8.680
  707   2HB   GLU  92          1HB       GLU  92  -5.767  -5.045   7.486
  708   1HG   GLU  92          2HG       GLU  92  -3.689  -5.543   8.514
  709   2HG   GLU  92          1HG       GLU  92  -4.472  -6.171   9.964
  710    H    VAL  93           H        VAL  93  -6.046  -1.966   7.862
  711    HA   VAL  93           HA       VAL  93  -3.261  -1.333   7.882
  712    HB   VAL  93           HB       VAL  93  -5.586   0.465   7.141
  713   1HG1  VAL  93          1HG1      VAL  93  -3.519   1.705   7.505
  714   2HG1  VAL  93          2HG1      VAL  93  -3.934   1.684   5.791
  715   3HG1  VAL  93          3HG1      VAL  93  -2.660   0.627   6.402
  716   1HG2  VAL  93          1HG2      VAL  93  -5.200  -0.241   4.831
  717   2HG2  VAL  93          2HG2      VAL  93  -5.630  -1.615   5.850
  718   3HG2  VAL  93          3HG2      VAL  93  -3.949  -1.361   5.372
  719    H    THR  94           H        THR  94  -2.163  -0.426   9.539
  720    HA   THR  94           HA       THR  94  -3.478   0.715  11.792
  721    HB   THR  94           HB       THR  94  -1.163   1.163  12.586
  722    HG1  THR  94           HG1      THR  94   0.351   1.274  11.133
  723   1HG2  THR  94          1HG2      THR  94  -2.229  -0.996  13.047
  724   2HG2  THR  94          2HG2      THR  94  -0.491  -1.182  12.815
  725   3HG2  THR  94          3HG2      THR  94  -1.606  -1.625  11.522
  726    H    ARG  95           H        ARG  95  -1.059   2.154   9.540
  727    HA   ARG  95           HA       ARG  95  -2.200   4.804  10.222
  728   1HB   ARG  95          2HB       ARG  95   0.032   4.319  11.212
  729   2HB   ARG  95          1HB       ARG  95   0.683   4.184   9.592
  730   1HG   ARG  95          2HG       ARG  95   1.200   6.340  10.575
  731   2HG   ARG  95          1HG       ARG  95   0.155   6.522   9.166
  732   1HD   ARG  95          2HD       ARG  95  -1.598   7.296  10.399
  733   2HD   ARG  95          1HD       ARG  95  -1.204   6.287  11.790
  734    HE   ARG  95           HE       ARG  95   0.325   7.912  12.515
  735   1HH1  ARG  95          1HH1      ARG  95  -1.322   8.928   9.649
  736   2HH1  ARG  95          2HH1      ARG  95  -0.955  10.596   9.922
  737   1HH2  ARG  95          1HH2      ARG  95   0.786  10.034  12.830
  738   2HH2  ARG  95          2HH2      ARG  95   0.223  11.213  11.690
  739    H    GLU  96           H        GLU  96  -2.490   6.282   8.671
  740    HA   GLU  96           HA       GLU  96  -1.622   5.732   5.911
  741   1HB   GLU  96          2HB       GLU  96  -3.764   6.527   5.039
  742   2HB   GLU  96          1HB       GLU  96  -4.023   5.154   6.105
  743   1HG   GLU  96          2HG       GLU  96  -4.723   6.650   7.899
  744   2HG   GLU  96          1HG       GLU  96  -4.404   8.046   6.875
  745    H    ALA  97           H        ALA  97  -1.096   7.593   4.670
  746    HA   ALA  97           HA       ALA  97  -1.610  10.247   5.752
  747   1HB   ALA  97          1HB       ALA  97   0.727  10.938   5.814
  748   2HB   ALA  97          2HB       ALA  97   1.237   9.306   5.374
  749   3HB   ALA  97          3HB       ALA  97   0.444   9.596   6.923
  750    H    ASP  98           H        ASP  98  -1.734  11.804   4.166
  751    HA   ASP  98           HA       ASP  98  -1.425  10.970   1.402
  752   1HB   ASP  98          2HB       ASP  98  -3.353  12.370   2.267
  753   2HB   ASP  98          1HB       ASP  98  -2.219  13.706   2.435
  754    H    LEU  99           H        LEU  99   0.291  11.413   0.122
  755    HA   LEU  99           HA       LEU  99   2.546  12.831   1.317
  756   1HB   LEU  99          2HB       LEU  99   2.367  11.166  -1.195
  757   2HB   LEU  99          1HB       LEU  99   3.842  11.882  -0.569
  758    HG   LEU  99           HG       LEU  99   2.185   9.762   0.817
  759   1HD1  LEU  99          1HD1      LEU  99   4.906   9.574  -0.477
  760   2HD1  LEU  99          2HD1      LEU  99   3.404   8.942  -1.152
  761   3HD1  LEU  99          3HD1      LEU  99   4.043   8.276   0.349
  762   1HD2  LEU  99          1HD2      LEU  99   3.252  11.249   2.434
  763   2HD2  LEU  99          2HD2      LEU  99   4.808  11.030   1.631
  764   3HD2  LEU  99          3HD2      LEU  99   4.029   9.667   2.435
  765    H    ASP 100           H        ASP 100   2.839  14.918   0.928
  766    HA   ASP 100           HA       ASP 100   1.871  16.210  -1.472
  767   1HB   ASP 100          2HB       ASP 100   3.478  17.217   0.887
  768   2HB   ASP 100          1HB       ASP 100   2.999  18.237  -0.467
  769    H    LEU 101           H        LEU 101   3.266  17.395  -2.957
  770    HA   LEU 101           HA       LEU 101   6.053  16.601  -3.082
  771   1HB   LEU 101          2HB       LEU 101   5.782  15.706  -5.424
  772   2HB   LEU 101          1HB       LEU 101   5.184  14.693  -4.129
  773    HG   LEU 101           HG       LEU 101   2.862  15.745  -4.691
  774   1HD1  LEU 101          1HD1      LEU 101   2.574  16.345  -7.042
  775   2HD1  LEU 101          2HD1      LEU 101   4.319  16.246  -7.286
  776   3HD1  LEU 101          3HD1      LEU 101   3.645  17.475  -6.214
  777   1HD2  LEU 101          1HD2      LEU 101   4.181  13.768  -6.552
  778   2HD2  LEU 101          2HD2      LEU 101   2.444  13.982  -6.325
  779   3HD2  LEU 101          3HD2      LEU 101   3.440  13.396  -4.994
  780    H    ASP 102           H        ASP 102   7.321  17.783  -4.514
  781    HA   ASP 102           HA       ASP 102   6.147  20.360  -5.297
  782   1HB   ASP 102          2HB       ASP 102   9.053  19.562  -4.996
  783   2HB   ASP 102          1HB       ASP 102   8.450  21.189  -5.298
  784    H    ALA 103           H        ALA 103   7.810  21.312  -7.146
  785    HA   ALA 103           HA       ALA 103   6.995  20.044  -9.550
  786   1HB   ALA 103          1HB       ALA 103   9.052  22.223  -9.170
  787   2HB   ALA 103          2HB       ALA 103   7.314  22.473  -9.332
  788   3HB   ALA 103          3HB       ALA 103   8.237  21.803 -10.677
  789    H    ASP 104           H        ASP 104   9.233  18.848  -7.551
  790    HA   ASP 104           HA       ASP 104  11.295  18.181  -9.482
  791   1HB   ASP 104          2HB       ASP 104  11.734  18.645  -7.025
  792   2HB   ASP 104          1HB       ASP 104  10.930  17.122  -6.662
  793    H    GLY 105           H        GLY 105   8.237  17.059  -8.674
  794   1HA   GLY 105          2HA       GLY 105   7.042  15.207  -9.337
  795   2HA   GLY 105          1HA       GLY 105   8.445  14.693 -10.254
  796    H    VAL 106           H        VAL 106   8.306  15.289  -6.768
  797    HA   VAL 106           HA       VAL 106   8.604  12.411  -6.236
  798    HB   VAL 106           HB       VAL 106  10.508  14.569  -5.278
  799   1HG1  VAL 106          1HG1      VAL 106  10.055  13.074  -3.423
  800   2HG1  VAL 106          2HG1      VAL 106  11.674  12.769  -4.048
  801   3HG1  VAL 106          3HG1      VAL 106  10.355  11.665  -4.441
  802   1HG2  VAL 106          1HG2      VAL 106  12.227  13.209  -6.391
  803   2HG2  VAL 106          2HG2      VAL 106  10.995  13.760  -7.525
  804   3HG2  VAL 106          3HG2      VAL 106  10.981  12.091  -6.951
  805    HA   PRO 107           HA       PRO 107   5.907  13.688  -2.763
  806   1HB   PRO 107          2HB       PRO 107   5.466  11.107  -1.940
  807   2HB   PRO 107          1HB       PRO 107   4.506  11.911  -3.187
  808   1HG   PRO 107          2HG       PRO 107   6.787   9.992  -3.498
  809   2HG   PRO 107          1HG       PRO 107   5.259  10.069  -4.396
  810   1HD   PRO 107          2HD       PRO 107   7.573  11.028  -5.410
  811   2HD   PRO 107          1HD       PRO 107   6.005  11.787  -5.762
  812    H    GLN 108           H        GLN 108   7.407  14.591  -1.387
  813    HA   GLN 108           HA       GLN 108   9.825  13.196  -0.737
  814   1HB   GLN 108          2HB       GLN 108   8.835  15.845   0.339
  815   2HB   GLN 108          1HB       GLN 108  10.485  15.230   0.421
  816   1HG   GLN 108          2HG       GLN 108  10.495  15.189  -2.090
  817   2HG   GLN 108          1HG       GLN 108   8.949  16.032  -2.043
  818   1HE2  GLN 108          1HE2      GLN 108  11.435  16.900  -3.196
  819   2HE2  GLN 108          2HE2      GLN 108  11.850  18.374  -2.408
  820    H    LEU 109           H        LEU 109   9.067  11.371   0.377
  821    HA   LEU 109           HA       LEU 109   7.999  11.787   3.069
  822   1HB   LEU 109          2HB       LEU 109   7.837   9.263   3.084
  823   2HB   LEU 109          1HB       LEU 109   6.820  10.101   1.933
  824    HG   LEU 109           HG       LEU 109   8.542   9.564   0.162
  825   1HD1  LEU 109          1HD1      LEU 109  10.465   9.101   1.541
  826   2HD1  LEU 109          2HD1      LEU 109  10.049   7.662   0.615
  827   3HD1  LEU 109          3HD1      LEU 109   9.626   7.764   2.326
  828   1HD2  LEU 109          1HD2      LEU 109   7.753   7.273  -0.146
  829   2HD2  LEU 109          2HD2      LEU 109   6.443   8.339   0.359
  830   3HD2  LEU 109          3HD2      LEU 109   7.180   7.239   1.524
  831    H    GLY 110           H        GLY 110  10.980  11.950   1.847
  832   1HA   GLY 110          2HA       GLY 110  12.583  10.178   3.300
  833   2HA   GLY 110          1HA       GLY 110  13.089  11.759   2.733
  834    H    ASP 111           H        ASP 111  10.970  13.085   4.404
  835    HA   ASP 111           HA       ASP 111  12.413  13.260   6.887
  836   1HB   ASP 111          2HB       ASP 111   9.731  14.433   6.105
  837   2HB   ASP 111          1HB       ASP 111  10.677  14.887   7.522
  838    H    HIS 112           H        HIS 112  10.054  11.168   5.736
  839    HA   HIS 112           HA       HIS 112   8.967  10.513   8.384
  840   1HB   HIS 112          2HB       HIS 112   8.172   9.557   5.618
  841   2HB   HIS 112          1HB       HIS 112   7.397   9.044   7.109
  842    HD1  HIS 112           HD1      HIS 112   6.459  11.290   8.559
  843    HD2  HIS 112           HD2      HIS 112   6.841  11.576   4.430
  844    HE1  HIS 112           HE1      HIS 112   4.990  13.202   7.882
  845    HE2  HIS 112           HE2      HIS 112   5.398  13.488   5.424
  846    H    LEU 113           H        LEU 113  10.617   8.976   5.626
  847    HA   LEU 113           HA       LEU 113  11.062   6.551   7.221
  848   1HB   LEU 113          2HB       LEU 113  11.744   6.939   4.307
  849   2HB   LEU 113          1HB       LEU 113  11.563   5.429   5.179
  850    HG   LEU 113           HG       LEU 113   9.399   7.313   4.256
  851   1HD1  LEU 113          1HD1      LEU 113  10.174   5.695   2.622
  852   2HD1  LEU 113          2HD1      LEU 113   8.534   5.314   3.143
  853   3HD1  LEU 113          3HD1      LEU 113   9.895   4.377   3.763
  854   1HD2  LEU 113          1HD2      LEU 113   8.811   6.729   6.523
  855   2HD2  LEU 113          2HD2      LEU 113   9.105   5.020   6.197
  856   3HD2  LEU 113          3HD2      LEU 113   7.774   5.857   5.396
  857    H    ALA 114           H        ALA 114  13.256   5.471   6.874
  858    HA   ALA 114           HA       ALA 114  15.464   5.451   7.407
  859   1HB   ALA 114          1HB       ALA 114  15.586   7.912   5.659
  860   2HB   ALA 114          2HB       ALA 114  15.684   6.243   5.099
  861   3HB   ALA 114          3HB       ALA 114  16.952   6.899   6.133
  862    H    LEU 115           H        LEU 115  15.498   5.793   9.580
  863    HA   LEU 115           HA       LEU 115  15.124   8.490  10.643
  864   1HB   LEU 115          2HB       LEU 115  13.883   6.633  11.645
  865   2HB   LEU 115          1HB       LEU 115  15.387   5.823  12.044
  866    HG   LEU 115           HG       LEU 115  15.960   7.695  13.579
  867   1HD1  LEU 115          1HD1      LEU 115  14.228   9.307  14.215
  868   2HD1  LEU 115          2HD1      LEU 115  13.178   8.686  12.940
  869   3HD1  LEU 115          3HD1      LEU 115  14.695   9.485  12.524
  870   1HD2  LEU 115          1HD2      LEU 115  13.296   6.376  14.130
  871   2HD2  LEU 115          2HD2      LEU 115  14.360   7.099  15.337
  872   3HD2  LEU 115          3HD2      LEU 115  14.884   5.676  14.439
  873    H    GLU 116           H        GLU 116  16.675   9.716  11.562
  874    HA   GLU 116           HA       GLU 116  19.286   8.474  12.169
  875   1HB   GLU 116          2HB       GLU 116  19.566   9.865  10.206
  876   2HB   GLU 116          1HB       GLU 116  18.770  11.218  10.997
  877   1HG   GLU 116          2HG       GLU 116  20.592  11.429  12.568
  878   2HG   GLU 116          1HG       GLU 116  21.370   9.992  11.907
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1   9.645  -3.486  16.517
    2   2H    MET   1          2H        MET   1   9.564  -1.999  15.718
    3   3H    MET   1          3H        MET   1  10.851  -3.054  15.414
    4    HA   MET   1           HA       MET   1   9.379  -4.660  14.425
    5   1HB   MET   1          2HB       MET   1   7.230  -2.581  14.934
    6   2HB   MET   1          1HB       MET   1   7.014  -4.065  14.017
    7   1HG   MET   1          2HG       MET   1   7.475  -5.379  16.024
    8   2HG   MET   1          1HG       MET   1   7.690  -3.889  16.948
    9   1HE   MET   1          1HE       MET   1   4.267  -5.183  18.321
   10   2HE   MET   1          2HE       MET   1   5.851  -4.537  18.756
   11   3HE   MET   1          3HE       MET   1   5.728  -6.098  17.943
   12    H    THR   2           H        THR   2   9.365  -4.653  12.195
   13    HA   THR   2           HA       THR   2  10.222  -2.251  10.838
   14    HB   THR   2           HB       THR   2  10.218  -3.631   8.786
   15    HG1  THR   2           HG1      THR   2   9.597  -5.810   8.914
   16   1HG2  THR   2          1HG2      THR   2  12.189  -3.686  10.249
   17   2HG2  THR   2          2HG2      THR   2  11.938  -5.242   9.457
   18   3HG2  THR   2          3HG2      THR   2  11.487  -5.031  11.149
   19    H    LEU   3           H        LEU   3   9.110  -1.297   9.013
   20    HA   LEU   3           HA       LEU   3   6.172  -1.406   9.318
   21   1HB   LEU   3          2HB       LEU   3   7.883   0.901   8.374
   22   2HB   LEU   3          1HB       LEU   3   6.141   0.927   8.579
   23    HG   LEU   3           HG       LEU   3   8.184   0.630  10.791
   24   1HD1  LEU   3          1HD1      LEU   3   8.120   2.878   9.847
   25   2HD1  LEU   3          2HD1      LEU   3   7.445   2.856  11.476
   26   3HD1  LEU   3          3HD1      LEU   3   6.372   2.936  10.079
   27   1HD2  LEU   3          1HD2      LEU   3   5.171   0.808  10.933
   28   2HD2  LEU   3          2HD2      LEU   3   6.268   0.847  12.312
   29   3HD2  LEU   3          3HD2      LEU   3   6.154  -0.605  11.320
   30    H    ILE   4           H        ILE   4   4.974  -1.962   7.600
   31    HA   ILE   4           HA       ILE   4   6.229  -1.977   4.931
   32    HB   ILE   4           HB       ILE   4   4.364  -3.457   4.237
   33   1HG1  ILE   4          2HG1      ILE   4   3.672  -3.442   7.192
   34   2HG1  ILE   4          1HG1      ILE   4   2.682  -2.782   5.896
   35   1HG2  ILE   4          1HG2      ILE   4   6.507  -4.401   4.891
   36   2HG2  ILE   4          2HG2      ILE   4   5.194  -5.467   5.388
   37   3HG2  ILE   4          3HG2      ILE   4   5.997  -4.444   6.579
   38   1HD1  ILE   4          1HD1      ILE   4   1.810  -4.907   6.615
   39   2HD1  ILE   4          2HD1      ILE   4   3.368  -5.680   6.329
   40   3HD1  ILE   4          3HD1      ILE   4   2.433  -5.049   4.972
   41    H    TYR   5           H        TYR   5   5.126  -1.066   3.137
   42    HA   TYR   5           HA       TYR   5   3.079   0.930   3.863
   43   1HB   TYR   5          2HB       TYR   5   5.449   1.468   2.059
   44   2HB   TYR   5          1HB       TYR   5   4.236   2.630   2.586
   45    HD1  TYR   5           HD1      TYR   5   7.226   0.750   3.553
   46    HD2  TYR   5           HD2      TYR   5   4.311   3.566   4.846
   47    HE1  TYR   5           HE1      TYR   5   8.654   1.343   5.461
   48    HE2  TYR   5           HE2      TYR   5   5.733   4.166   6.760
   49    HH   TYR   5           HH       TYR   5   8.988   3.221   6.987
   50    H    LYS   6           H        LYS   6   1.921   1.843   2.032
   51    HA   LYS   6           HA       LYS   6   2.242   0.660  -0.587
   52   1HB   LYS   6          2HB       LYS   6   0.792  -1.004   0.446
   53   2HB   LYS   6          1HB       LYS   6  -0.321   0.251   0.973
   54   1HG   LYS   6          2HG       LYS   6  -0.918   0.753  -1.315
   55   2HG   LYS   6          1HG       LYS   6   0.287  -0.388  -1.913
   56   1HD   LYS   6          2HD       LYS   6  -2.042  -1.173  -0.156
   57   2HD   LYS   6          1HD       LYS   6  -2.079  -1.242  -1.918
   58   1HE   LYS   6          2HE       LYS   6  -0.138  -2.727  -0.142
   59   2HE   LYS   6          1HE       LYS   6  -1.560  -3.429  -0.914
   60   1HZ   LYS   6          1HZ       LYS   6   0.423  -3.909  -2.184
   61   2HZ   LYS   6          2HZ       LYS   6   0.791  -2.267  -2.313
   62   3HZ   LYS   6          3HZ       LYS   6  -0.583  -2.886  -3.075
   63    H    ILE   7           H        ILE   7   2.411   2.513  -1.687
   64    HA   ILE   7           HA       ILE   7   0.715   4.800  -1.074
   65    HB   ILE   7           HB       ILE   7   2.867   4.529  -3.195
   66   1HG1  ILE   7          2HG1      ILE   7   3.006   5.765  -0.424
   67   2HG1  ILE   7          1HG1      ILE   7   3.742   4.237  -0.897
   68   1HG2  ILE   7          1HG2      ILE   7   2.820   6.973  -3.273
   69   2HG2  ILE   7          2HG2      ILE   7   1.526   6.999  -2.074
   70   3HG2  ILE   7          3HG2      ILE   7   1.234   6.307  -3.670
   71   1HD1  ILE   7          1HD1      ILE   7   4.454   6.948  -1.999
   72   2HD1  ILE   7          2HD1      ILE   7   5.201   5.415  -2.454
   73   3HD1  ILE   7          3HD1      ILE   7   5.376   6.031  -0.810
   74    H    LEU   8           H        LEU   8  -0.943   5.541  -2.325
   75    HA   LEU   8           HA       LEU   8  -1.487   4.404  -4.940
   76   1HB   LEU   8          2HB       LEU   8  -3.624   3.461  -4.412
   77   2HB   LEU   8          1HB       LEU   8  -2.435   2.749  -3.341
   78    HG   LEU   8           HG       LEU   8  -4.377   4.945  -2.559
   79   1HD1  LEU   8          1HD1      LEU   8  -5.543   2.849  -2.964
   80   2HD1  LEU   8          2HD1      LEU   8  -5.501   3.210  -1.241
   81   3HD1  LEU   8          3HD1      LEU   8  -4.415   1.995  -1.911
   82   1HD2  LEU   8          1HD2      LEU   8  -3.651   4.469  -0.261
   83   2HD2  LEU   8          2HD2      LEU   8  -2.320   5.055  -1.255
   84   3HD2  LEU   8          3HD2      LEU   8  -2.445   3.337  -0.876
   85    H    SER   9           H        SER   9  -3.496   5.371  -5.921
   86    HA   SER   9           HA       SER   9  -3.591   8.207  -5.438
   87   1HB   SER   9          2HB       SER   9  -3.848   7.426  -7.720
   88   2HB   SER   9          1HB       SER   9  -5.243   6.446  -7.269
   89    HG   SER   9           HG       SER   9  -5.376   8.825  -8.184
   90    H    ARG  10           H        ARG  10  -5.397   9.441  -4.775
   91    HA   ARG  10           HA       ARG  10  -6.779   8.503  -2.539
   92   1HB   ARG  10          2HB       ARG  10  -6.364  10.914  -3.189
   93   2HB   ARG  10          1HB       ARG  10  -7.699  10.765  -4.323
   94   1HG   ARG  10          2HG       ARG  10  -8.467  11.822  -2.301
   95   2HG   ARG  10          1HG       ARG  10  -9.205  10.226  -2.446
   96   1HD   ARG  10          2HD       ARG  10  -7.432   9.341  -0.924
   97   2HD   ARG  10          1HD       ARG  10  -6.865  10.995  -0.698
   98    HE   ARG  10           HE       ARG  10  -9.635  10.293  -0.030
   99   1HH1  ARG  10          1HH1      ARG  10  -6.496  11.382   0.943
  100   2HH1  ARG  10          2HH1      ARG  10  -7.025  11.796   2.534
  101   1HH2  ARG  10          1HH2      ARG  10 -10.274  10.817   2.025
  102   2HH2  ARG  10          2HH2      ARG  10  -9.132  11.489   3.132
  103    H    ALA  11           H        ALA  11  -7.728   8.591  -5.932
  104    HA   ALA  11           HA       ALA  11 -10.419   7.868  -5.733
  105   1HB   ALA  11          1HB       ALA  11 -10.172   7.016  -8.029
  106   2HB   ALA  11          2HB       ALA  11  -8.420   7.124  -7.869
  107   3HB   ALA  11          3HB       ALA  11  -9.399   8.588  -7.824
  108    H    GLU  12           H        GLU  12  -7.508   5.876  -5.634
  109    HA   GLU  12           HA       GLU  12  -8.903   3.365  -5.645
  110   1HB   GLU  12          2HB       GLU  12  -6.041   4.009  -4.869
  111   2HB   GLU  12          1HB       GLU  12  -6.683   2.397  -5.162
  112   1HG   GLU  12          2HG       GLU  12  -7.097   2.945  -7.487
  113   2HG   GLU  12          1HG       GLU  12  -6.570   4.604  -7.215
  114    H    TRP  13           H        TRP  13  -7.527   5.477  -3.149
  115    HA   TRP  13           HA       TRP  13  -7.864   3.662  -0.991
  116   1HB   TRP  13          2HB       TRP  13  -6.274   5.523  -0.909
  117   2HB   TRP  13          1HB       TRP  13  -7.600   6.677  -0.975
  118    HD1  TRP  13           HD1      TRP  13  -7.504   7.798   1.320
  119    HE1  TRP  13           HE1      TRP  13  -7.572   6.994   3.774
  120    HE3  TRP  13           HE3      TRP  13  -7.222   2.754   0.534
  121    HZ2  TRP  13           HZ2      TRP  13  -7.518   4.552   5.173
  122    HZ3  TRP  13           HZ3      TRP  13  -7.240   1.252   2.484
  123    HH2  TRP  13           HH2      TRP  13  -7.385   2.135   4.757
  124    H    ASP  14           H        ASP  14  -9.839   6.485  -2.020
  125    HA   ASP  14           HA       ASP  14 -11.883   6.127  -0.125
  126   1HB   ASP  14          2HB       ASP  14 -11.788   7.482  -2.805
  127   2HB   ASP  14          1HB       ASP  14 -13.313   7.346  -1.932
  128    H    ALA  15           H        ALA  15 -11.481   4.710  -3.349
  129    HA   ALA  15           HA       ALA  15 -13.910   3.318  -3.498
  130   1HB   ALA  15          1HB       ALA  15 -12.372   3.499  -5.391
  131   2HB   ALA  15          2HB       ALA  15 -12.776   1.815  -5.063
  132   3HB   ALA  15          3HB       ALA  15 -11.213   2.461  -4.559
  133    H    ALA  16           H        ALA  16 -10.791   2.336  -2.101
  134    HA   ALA  16           HA       ALA  16 -11.481  -0.203  -1.176
  135   1HB   ALA  16          1HB       ALA  16  -9.596   1.776   0.107
  136   2HB   ALA  16          2HB       ALA  16  -9.189   0.672  -1.205
  137   3HB   ALA  16          3HB       ALA  16  -9.620   0.034   0.382
  138    H    LYS  17           H        LYS  17 -11.599   2.887   0.623
  139    HA   LYS  17           HA       LYS  17 -12.749   1.842   2.969
  140   1HB   LYS  17          2HB       LYS  17 -12.897   4.651   1.849
  141   2HB   LYS  17          1HB       LYS  17 -13.351   4.201   3.488
  142   1HG   LYS  17          2HG       LYS  17 -11.030   3.413   3.869
  143   2HG   LYS  17          1HG       LYS  17 -10.602   4.000   2.263
  144   1HD   LYS  17          2HD       LYS  17 -11.710   5.732   4.480
  145   2HD   LYS  17          1HD       LYS  17  -9.995   5.551   4.124
  146   1HE   LYS  17          2HE       LYS  17 -10.557   7.524   3.030
  147   2HE   LYS  17          1HE       LYS  17 -10.628   6.328   1.740
  148   1HZ   LYS  17          1HZ       LYS  17 -12.963   7.373   3.248
  149   2HZ   LYS  17          2HZ       LYS  17 -13.026   6.263   1.976
  150   3HZ   LYS  17          3HZ       LYS  17 -12.512   7.847   1.687
  151    H    ALA  18           H        ALA  18 -14.203   2.809  -0.058
  152    HA   ALA  18           HA       ALA  18 -16.900   2.946   0.819
  153   1HB   ALA  18          1HB       ALA  18 -16.154   3.899  -1.311
  154   2HB   ALA  18          2HB       ALA  18 -17.488   2.770  -1.543
  155   3HB   ALA  18          3HB       ALA  18 -15.837   2.278  -1.930
  156    H    GLN  19           H        GLN  19 -15.098   0.297  -0.790
  157    HA   GLN  19           HA       GLN  19 -17.234  -1.584  -0.169
  158   1HB   GLN  19          2HB       GLN  19 -15.808  -3.242  -1.354
  159   2HB   GLN  19          1HB       GLN  19 -16.240  -1.846  -2.328
  160   1HG   GLN  19          2HG       GLN  19 -14.003  -0.898  -1.928
  161   2HG   GLN  19          1HG       GLN  19 -13.584  -2.325  -0.979
  162   1HE2  GLN  19          1HE2      GLN  19 -11.901  -2.888  -2.384
  163   2HE2  GLN  19          2HE2      GLN  19 -12.193  -3.526  -3.961
  164    H    GLY  20           H        GLY  20 -14.848  -0.341   1.662
  165   1HA   GLY  20          2HA       GLY  20 -14.172  -0.929   3.784
  166   2HA   GLY  20          1HA       GLY  20 -15.125  -2.396   3.640
  167    H    ARG  21           H        ARG  21 -13.133  -2.365   1.006
  168    HA   ARG  21           HA       ARG  21 -10.774  -3.465   2.326
  169   1HB   ARG  21          2HB       ARG  21 -10.911  -5.605   1.086
  170   2HB   ARG  21          1HB       ARG  21 -12.230  -5.404   2.233
  171   1HG   ARG  21          2HG       ARG  21 -13.673  -4.654   0.321
  172   2HG   ARG  21          1HG       ARG  21 -12.357  -5.102  -0.767
  173   1HD   ARG  21          2HD       ARG  21 -13.965  -6.909  -0.651
  174   2HD   ARG  21          1HD       ARG  21 -12.456  -7.410   0.113
  175    HE   ARG  21           HE       ARG  21 -14.564  -6.359   1.838
  176   1HH1  ARG  21          1HH1      ARG  21 -12.871  -9.111   0.641
  177   2HH1  ARG  21          2HH1      ARG  21 -13.411 -10.131   1.931
  178   1HH2  ARG  21          1HH2      ARG  21 -15.264  -7.667   3.461
  179   2HH2  ARG  21          2HH2      ARG  21 -14.763  -9.324   3.513
  180    H    PHE  22           H        PHE  22  -8.939  -3.593   0.984
  181    HA   PHE  22           HA       PHE  22  -9.219  -2.209  -1.604
  182   1HB   PHE  22          2HB       PHE  22  -7.858  -0.978   0.028
  183   2HB   PHE  22          1HB       PHE  22  -6.793  -2.372   0.208
  184    HD1  PHE  22           HD1      PHE  22  -8.137  -0.109  -2.455
  185    HD2  PHE  22           HD2      PHE  22  -4.853  -2.449  -1.064
  186    HE1  PHE  22           HE1      PHE  22  -6.770   0.699  -4.331
  187    HE2  PHE  22           HE2      PHE  22  -3.483  -1.635  -2.940
  188    HZ   PHE  22           HZ       PHE  22  -4.440  -0.062  -4.575
  189    H    GLU  23           H        GLU  23  -8.642  -3.182  -3.418
  190    HA   GLU  23           HA       GLU  23  -7.189  -5.745  -3.300
  191   1HB   GLU  23          2HB       GLU  23  -8.941  -4.572  -5.482
  192   2HB   GLU  23          1HB       GLU  23  -8.143  -6.140  -5.560
  193   1HG   GLU  23          2HG       GLU  23  -9.482  -6.998  -3.779
  194   2HG   GLU  23          1HG       GLU  23 -10.128  -5.399  -3.419
  195    H    GLY  24           H        GLY  24  -5.222  -5.937  -4.233
  196   1HA   GLY  24          2HA       GLY  24  -3.547  -3.782  -4.469
  197   2HA   GLY  24          1HA       GLY  24  -3.223  -5.338  -5.204
  198    H    SER  25           H        SER  25  -4.349  -5.675  -7.365
  199    HA   SER  25           HA       SER  25  -5.197  -3.597  -9.021
  200   1HB   SER  25          2HB       SER  25  -2.925  -2.665  -8.727
  201   2HB   SER  25          1HB       SER  25  -2.223  -4.179  -9.294
  202    HG   SER  25           HG       SER  25  -3.593  -2.185 -10.718
  203    H    ALA  26           H        ALA  26  -5.327  -4.284 -11.311
  204    HA   ALA  26           HA       ALA  26  -6.059  -6.960 -11.619
  205   1HB   ALA  26          1HB       ALA  26  -6.107  -6.510 -14.030
  206   2HB   ALA  26          2HB       ALA  26  -5.210  -5.012 -13.770
  207   3HB   ALA  26          3HB       ALA  26  -6.835  -5.193 -13.111
  208    H    VAL  27           H        VAL  27  -3.098  -5.385 -12.891
  209    HA   VAL  27           HA       VAL  27  -1.825  -7.762 -13.722
  210    HB   VAL  27           HB       VAL  27  -1.122  -5.532 -14.501
  211   1HG1  VAL  27          1HG1      VAL  27   0.297  -4.105 -13.084
  212   2HG1  VAL  27          2HG1      VAL  27  -0.006  -5.175 -11.716
  213   3HG1  VAL  27          3HG1      VAL  27  -1.337  -4.268 -12.437
  214   1HG2  VAL  27          1HG2      VAL  27   1.306  -5.913 -14.431
  215   2HG2  VAL  27          2HG2      VAL  27   0.422  -7.408 -14.732
  216   3HG2  VAL  27          3HG2      VAL  27   1.083  -7.083 -13.130
  217    H    ASP  28           H        ASP  28  -1.913  -6.157 -10.598
  218    HA   ASP  28           HA       ASP  28   0.242  -7.473  -9.336
  219   1HB   ASP  28          2HB       ASP  28  -1.170  -5.421  -8.566
  220   2HB   ASP  28          1HB       ASP  28  -2.270  -6.615  -7.889
  221    H    LEU  29           H        LEU  29  -3.257  -8.152  -9.046
  222    HA   LEU  29           HA       LEU  29  -2.952 -10.653  -7.773
  223   1HB   LEU  29          2HB       LEU  29  -5.215  -9.337  -9.248
  224   2HB   LEU  29          1HB       LEU  29  -5.366 -10.997  -8.716
  225    HG   LEU  29           HG       LEU  29  -6.422  -9.516  -7.115
  226   1HD1  LEU  29          1HD1      LEU  29  -3.842 -10.611  -5.995
  227   2HD1  LEU  29          2HD1      LEU  29  -5.320 -11.534  -6.266
  228   3HD1  LEU  29          3HD1      LEU  29  -5.303 -10.228  -5.081
  229   1HD2  LEU  29          1HD2      LEU  29  -5.149  -7.477  -7.571
  230   2HD2  LEU  29          2HD2      LEU  29  -3.724  -8.187  -6.813
  231   3HD2  LEU  29          3HD2      LEU  29  -5.160  -7.849  -5.846
  232    H    ALA  30           H        ALA  30  -3.075  -9.746 -11.172
  233    HA   ALA  30           HA       ALA  30  -3.391 -12.323 -12.276
  234   1HB   ALA  30          1HB       ALA  30  -3.726 -10.270 -13.565
  235   2HB   ALA  30          2HB       ALA  30  -2.577 -11.348 -14.360
  236   3HB   ALA  30          3HB       ALA  30  -1.997  -9.930 -13.482
  237    H    ASP  31           H        ASP  31  -0.465 -10.556 -11.284
  238    HA   ASP  31           HA       ASP  31   1.332 -12.542 -12.327
  239   1HB   ASP  31          2HB       ASP  31   1.927 -10.114 -11.986
  240   2HB   ASP  31          1HB       ASP  31   1.943 -10.422 -10.252
  241    H    GLY  32           H        GLY  32  -0.173 -11.894  -9.192
  242   1HA   GLY  32          2HA       GLY  32  -0.237 -14.502  -8.345
  243   2HA   GLY  32          1HA       GLY  32   1.336 -13.929  -7.823
  244    H    PHE  33           H        PHE  33   1.111 -11.627  -6.642
  245    HA   PHE  33           HA       PHE  33  -1.056 -11.831  -4.676
  246   1HB   PHE  33          2HB       PHE  33   1.839 -12.125  -3.826
  247   2HB   PHE  33          1HB       PHE  33   0.425 -12.170  -2.780
  248    HD1  PHE  33           HD2      PHE  33  -1.285 -14.065  -3.217
  249    HD2  PHE  33           HD1      PHE  33   2.714 -14.104  -4.696
  250    HE1  PHE  33           HE2      PHE  33  -1.419 -16.503  -3.523
  251    HE2  PHE  33           HE1      PHE  33   2.579 -16.538  -5.010
  252    HZ   PHE  33           HZ       PHE  33   0.512 -17.744  -4.422
  253    H    ILE  34           H        ILE  34  -1.376  -9.973  -3.459
  254    HA   ILE  34           HA       ILE  34  -0.882  -7.561  -4.699
  255    HB   ILE  34           HB       ILE  34  -1.474  -7.973  -1.759
  256   1HG1  ILE  34          2HG1      ILE  34  -3.365  -7.579  -4.100
  257   2HG1  ILE  34          1HG1      ILE  34  -3.105  -9.094  -3.242
  258   1HG2  ILE  34          1HG2      ILE  34  -1.838  -5.549  -3.526
  259   2HG2  ILE  34          2HG2      ILE  34  -0.740  -5.707  -2.155
  260   3HG2  ILE  34          3HG2      ILE  34  -2.483  -5.708  -1.892
  261   1HD1  ILE  34          1HD1      ILE  34  -5.160  -8.033  -2.529
  262   2HD1  ILE  34          2HD1      ILE  34  -4.279  -6.574  -2.080
  263   3HD1  ILE  34          3HD1      ILE  34  -4.000  -8.078  -1.202
  264    H    HIS  35           H        HIS  35   1.122  -6.749  -5.111
  265    HA   HIS  35           HA       HIS  35   3.255  -6.915  -3.167
  266   1HB   HIS  35          2HB       HIS  35   4.546  -5.544  -4.856
  267   2HB   HIS  35          1HB       HIS  35   3.965  -7.101  -5.424
  268    HD1  HIS  35           HD1      HIS  35   2.319  -3.648  -5.422
  269    HD2  HIS  35           HD2      HIS  35   3.287  -6.744  -8.017
  270    HE1  HIS  35           HE1      HIS  35   1.453  -2.939  -7.665
  271    HE2  HIS  35           HE2      HIS  35   2.181  -4.753  -9.239
  272    H    LEU  36           H        LEU  36   3.791  -5.474  -1.655
  273    HA   LEU  36           HA       LEU  36   2.238  -3.019  -1.446
  274   1HB   LEU  36          2HB       LEU  36   4.078  -4.430   0.478
  275   2HB   LEU  36          1HB       LEU  36   3.390  -2.854   0.812
  276    HG   LEU  36           HG       LEU  36   1.104  -3.882   0.579
  277   1HD1  LEU  36          1HD1      LEU  36   0.914  -6.319   0.818
  278   2HD1  LEU  36          2HD1      LEU  36   2.659  -6.470   0.604
  279   3HD1  LEU  36          3HD1      LEU  36   1.656  -5.857  -0.711
  280   1HD2  LEU  36          1HD2      LEU  36   2.885  -4.999   2.744
  281   2HD2  LEU  36          2HD2      LEU  36   1.125  -4.883   2.802
  282   3HD2  LEU  36          3HD2      LEU  36   2.104  -3.417   2.754
  283    H    SER  37           H        SER  37   5.635  -3.971  -1.609
  284    HA   SER  37           HA       SER  37   7.568  -2.842  -2.005
  285   1HB   SER  37          2HB       SER  37   5.737  -0.685  -3.101
  286   2HB   SER  37          1HB       SER  37   7.490  -0.712  -3.288
  287    HG   SER  37           HG       SER  37   6.612  -1.608  -5.119
  288    H    ALA  38           H        ALA  38   8.385  -2.522   0.012
  289    HA   ALA  38           HA       ALA  38   7.367  -0.255   1.600
  290   1HB   ALA  38          1HB       ALA  38   8.904  -2.677   2.541
  291   2HB   ALA  38          2HB       ALA  38   7.153  -2.477   2.622
  292   3HB   ALA  38          3HB       ALA  38   8.206  -1.415   3.560
  293    H    GLY  39           H        GLY  39   8.816   1.076   2.780
  294   1HA   GLY  39          2HA       GLY  39  10.692   2.331   3.155
  295   2HA   GLY  39          1HA       GLY  39  11.592   0.851   2.879
  296    H    GLU  40           H        GLU  40  13.077   1.019   1.363
  297    HA   GLU  40           HA       GLU  40  13.422   3.260  -0.294
  298   1HB   GLU  40          2HB       GLU  40  14.601   0.481  -0.580
  299   2HB   GLU  40          1HB       GLU  40  15.163   1.899  -1.450
  300   1HG   GLU  40          2HG       GLU  40  16.654   1.511   0.364
  301   2HG   GLU  40          1HG       GLU  40  15.713   2.954   0.740
  302    H    GLN  41           H        GLN  41  11.996   0.093  -0.960
  303    HA   GLN  41           HA       GLN  41  11.621   0.473  -3.750
  304   1HB   GLN  41          2HB       GLN  41  10.179  -1.364  -1.819
  305   2HB   GLN  41          1HB       GLN  41  10.060  -1.452  -3.573
  306   1HG   GLN  41          2HG       GLN  41  12.465  -1.916  -3.710
  307   2HG   GLN  41          1HG       GLN  41  12.573  -1.851  -1.951
  308   1HE2  GLN  41          1HE2      GLN  41  11.721  -3.561  -0.737
  309   2HE2  GLN  41          2HE2      GLN  41  11.307  -5.072  -1.460
  310    H    ALA  42           H        ALA  42   9.744   1.378  -0.931
  311    HA   ALA  42           HA       ALA  42   7.329   2.058  -2.271
  312   1HB   ALA  42          1HB       ALA  42   7.451   1.745   0.165
  313   2HB   ALA  42          2HB       ALA  42   6.775   3.320  -0.255
  314   3HB   ALA  42          3HB       ALA  42   8.446   3.197   0.299
  315    H    GLN  43           H        GLN  43  10.068   4.080  -1.188
  316    HA   GLN  43           HA       GLN  43   9.293   6.497  -2.350
  317   1HB   GLN  43          2HB       GLN  43  11.101   6.527  -0.809
  318   2HB   GLN  43          1HB       GLN  43  11.999   5.324  -1.718
  319   1HG   GLN  43          2HG       GLN  43  13.011   7.519  -1.936
  320   2HG   GLN  43          1HG       GLN  43  12.421   6.938  -3.489
  321   1HE2  GLN  43          1HE2      GLN  43  10.338   8.286  -1.018
  322   2HE2  GLN  43          2HE2      GLN  43   9.941   9.726  -1.881
  323    H    GLU  44           H        GLU  44  11.292   3.885  -3.737
  324    HA   GLU  44           HA       GLU  44  11.814   5.141  -6.190
  325   1HB   GLU  44          2HB       GLU  44  12.989   3.113  -5.286
  326   2HB   GLU  44          1HB       GLU  44  11.583   2.159  -5.740
  327   1HG   GLU  44          2HG       GLU  44  11.909   2.817  -8.085
  328   2HG   GLU  44          1HG       GLU  44  13.338   3.738  -7.621
  329    H    THR  45           H        THR  45   9.226   2.803  -5.343
  330    HA   THR  45           HA       THR  45   7.967   2.766  -7.865
  331    HB   THR  45           HB       THR  45   6.640   2.391  -5.164
  332    HG1  THR  45           HG1      THR  45   7.995   0.725  -5.249
  333   1HG2  THR  45          1HG2      THR  45   5.740   1.555  -7.935
  334   2HG2  THR  45          2HG2      THR  45   5.002   2.812  -6.943
  335   3HG2  THR  45          3HG2      THR  45   4.936   1.127  -6.421
  336    H    ALA  46           H        ALA  46   7.541   4.924  -5.092
  337    HA   ALA  46           HA       ALA  46   5.383   6.437  -6.025
  338   1HB   ALA  46          1HB       ALA  46   7.728   7.416  -4.387
  339   2HB   ALA  46          2HB       ALA  46   6.302   6.605  -3.742
  340   3HB   ALA  46          3HB       ALA  46   6.143   8.184  -4.511
  341    H    ALA  47           H        ALA  47   8.864   6.753  -6.653
  342    HA   ALA  47           HA       ALA  47   8.637   9.077  -8.301
  343   1HB   ALA  47          1HB       ALA  47  10.725   8.513  -7.173
  344   2HB   ALA  47          2HB       ALA  47  10.966   8.622  -8.915
  345   3HB   ALA  47          3HB       ALA  47  10.863   7.044  -8.137
  346    H    LYS  48           H        LYS  48   8.319   5.651  -8.927
  347    HA   LYS  48           HA       LYS  48   8.573   5.791 -11.764
  348   1HB   LYS  48          2HB       LYS  48   7.189   3.734 -10.027
  349   2HB   LYS  48          1HB       LYS  48   7.578   3.544 -11.721
  350   1HG   LYS  48          2HG       LYS  48   9.966   3.644 -11.190
  351   2HG   LYS  48          1HG       LYS  48   9.564   3.823  -9.481
  352   1HD   LYS  48          2HD       LYS  48   8.321   1.629  -9.655
  353   2HD   LYS  48          1HD       LYS  48   9.022   1.447 -11.264
  354   1HE   LYS  48          2HE       LYS  48  10.565   1.725  -8.683
  355   2HE   LYS  48          1HE       LYS  48  10.295   0.221  -9.561
  356   1HZ   LYS  48          1HZ       LYS  48  11.763   2.574 -10.629
  357   2HZ   LYS  48          2HZ       LYS  48  11.567   1.082 -11.399
  358   3HZ   LYS  48          3HZ       LYS  48  12.486   1.185  -9.983
  359    H    TRP  49           H        TRP  49   5.706   5.049  -9.777
  360    HA   TRP  49           HA       TRP  49   3.950   5.321 -12.015
  361   1HB   TRP  49          2HB       TRP  49   3.339   4.910  -9.092
  362   2HB   TRP  49          1HB       TRP  49   2.182   4.749 -10.409
  363    HD1  TRP  49           HD1      TRP  49   5.227   3.249 -11.726
  364    HE1  TRP  49           HE1      TRP  49   5.233   0.696 -11.393
  365    HE3  TRP  49           HE3      TRP  49   1.437   2.896  -8.367
  366    HZ2  TRP  49           HZ2      TRP  49   3.788  -1.228  -9.885
  367    HZ3  TRP  49           HZ3      TRP  49   0.790   0.676  -7.509
  368    HH2  TRP  49           HH2      TRP  49   1.944  -1.347  -8.257
  369    H    PHE  50           H        PHE  50   4.101   7.035  -8.892
  370    HA   PHE  50           HA       PHE  50   2.047   8.887  -9.758
  371   1HB   PHE  50          2HB       PHE  50   3.555   8.845  -7.137
  372   2HB   PHE  50          1HB       PHE  50   2.022   9.648  -7.470
  373    HD1  PHE  50           HD1      PHE  50  -0.009   8.241  -7.975
  374    HD2  PHE  50           HD2      PHE  50   3.624   6.574  -6.500
  375    HE1  PHE  50           HE1      PHE  50  -1.216   6.202  -7.320
  376    HE2  PHE  50           HE2      PHE  50   2.419   4.530  -5.843
  377    HZ   PHE  50           HZ       PHE  50  -0.001   4.342  -6.255
  378    H    ARG  51           H        ARG  51   5.140   9.480  -8.145
  379    HA   ARG  51           HA       ARG  51   6.893  10.821  -8.583
  380   1HB   ARG  51          2HB       ARG  51   6.864   9.968 -10.822
  381   2HB   ARG  51          1HB       ARG  51   5.568  11.066 -11.273
  382   1HG   ARG  51          2HG       ARG  51   7.011  12.951 -11.183
  383   2HG   ARG  51          1HG       ARG  51   8.287  12.017 -10.395
  384   1HD   ARG  51          2HD       ARG  51   7.260  11.597 -13.206
  385   2HD   ARG  51          1HD       ARG  51   8.785  12.366 -12.762
  386    HE   ARG  51           HE       ARG  51   8.746   9.841 -11.589
  387   1HH1  ARG  51          1HH1      ARG  51   8.760  11.158 -14.763
  388   2HH1  ARG  51          2HH1      ARG  51   9.642   9.827 -15.423
  389   1HH2  ARG  51          1HH2      ARG  51   9.853   8.133 -12.442
  390   2HH2  ARG  51          2HH2      ARG  51  10.282   8.138 -14.118
  391    H    GLY  52           H        GLY  52   4.195  12.502 -10.174
  392   1HA   GLY  52          2HA       GLY  52   4.403  14.696  -8.267
  393   2HA   GLY  52          1HA       GLY  52   4.815  15.081  -9.933
  394    H    GLN  53           H        GLN  53   2.247  13.195  -8.335
  395    HA   GLN  53           HA       GLN  53   0.252  14.512 -10.046
  396   1HB   GLN  53          2HB       GLN  53   0.047  12.045  -8.317
  397   2HB   GLN  53          1HB       GLN  53  -1.258  12.689  -9.301
  398   1HG   GLN  53          2HG       GLN  53   0.090  12.318 -11.319
  399   2HG   GLN  53          1HG       GLN  53   1.385  11.653 -10.325
  400   1HE2  GLN  53          1HE2      GLN  53   1.276   9.664 -11.410
  401   2HE2  GLN  53          2HE2      GLN  53  -0.021   8.551 -11.150
  402    H    ALA  54           H        ALA  54  -2.030  14.118  -8.376
  403    HA   ALA  54           HA       ALA  54  -1.524  16.337  -6.510
  404   1HB   ALA  54          1HB       ALA  54  -3.851  16.900  -6.720
  405   2HB   ALA  54          2HB       ALA  54  -4.175  15.411  -7.609
  406   3HB   ALA  54          3HB       ALA  54  -3.174  16.672  -8.333
  407    H    ASN  55           H        ASN  55  -3.750  13.553  -6.582
  408    HA   ASN  55           HA       ASN  55  -4.045  13.820  -3.694
  409   1HB   ASN  55          2HB       ASN  55  -6.132  12.465  -4.063
  410   2HB   ASN  55          1HB       ASN  55  -6.112  14.033  -4.857
  411   1HD2  ASN  55          1HD2      ASN  55  -7.816  11.974  -5.592
  412   2HD2  ASN  55          2HD2      ASN  55  -7.400  11.452  -7.188
  413    H    LEU  56           H        LEU  56  -1.876  12.775  -3.653
  414    HA   LEU  56           HA       LEU  56  -1.881   9.869  -3.986
  415   1HB   LEU  56          2HB       LEU  56   0.383  11.663  -3.103
  416   2HB   LEU  56          1HB       LEU  56   0.505   9.989  -3.617
  417    HG   LEU  56           HG       LEU  56  -0.190  12.372  -5.340
  418   1HD1  LEU  56          1HD1      LEU  56   1.844  11.793  -6.546
  419   2HD1  LEU  56          2HD1      LEU  56   2.144  10.462  -5.428
  420   3HD1  LEU  56          3HD1      LEU  56   2.187  12.128  -4.849
  421   1HD2  LEU  56          1HD2      LEU  56  -0.290   9.426  -5.966
  422   2HD2  LEU  56          2HD2      LEU  56  -0.195  10.674  -7.203
  423   3HD2  LEU  56          3HD2      LEU  56  -1.580  10.620  -6.118
  424    H    VAL  57           H        VAL  57  -2.219   8.490  -2.375
  425    HA   VAL  57           HA       VAL  57  -2.057   9.426   0.425
  426    HB   VAL  57           HB       VAL  57  -3.625   7.061  -0.636
  427   1HG1  VAL  57          1HG1      VAL  57  -4.761   7.127   1.539
  428   2HG1  VAL  57          2HG1      VAL  57  -3.726   8.468   2.041
  429   3HG1  VAL  57          3HG1      VAL  57  -3.024   6.880   1.729
  430   1HG2  VAL  57          1HG2      VAL  57  -4.607   9.838   0.026
  431   2HG2  VAL  57          2HG2      VAL  57  -5.628   8.457  -0.377
  432   3HG2  VAL  57          3HG2      VAL  57  -4.520   9.117  -1.581
  433    H    LEU  58           H        LEU  58  -1.052   8.103   1.984
  434    HA   LEU  58           HA       LEU  58   0.523   5.827   0.949
  435   1HB   LEU  58          2HB       LEU  58   1.900   7.838   1.446
  436   2HB   LEU  58          1HB       LEU  58   1.345   7.789   3.107
  437    HG   LEU  58           HG       LEU  58   2.828   5.441   1.917
  438   1HD1  LEU  58          1HD1      LEU  58   4.225   7.397   1.507
  439   2HD1  LEU  58          2HD1      LEU  58   4.915   6.386   2.775
  440   3HD1  LEU  58          3HD1      LEU  58   4.071   7.876   3.198
  441   1HD2  LEU  58          1HD2      LEU  58   1.736   5.084   4.076
  442   2HD2  LEU  58          2HD2      LEU  58   2.560   6.493   4.742
  443   3HD2  LEU  58          3HD2      LEU  58   3.489   5.075   4.257
  444    H    LEU  59           H        LEU  59  -0.167   3.965   1.785
  445    HA   LEU  59           HA       LEU  59  -1.490   3.861   4.389
  446   1HB   LEU  59          2HB       LEU  59  -0.898   1.608   2.457
  447   2HB   LEU  59          1HB       LEU  59  -1.968   1.536   3.843
  448    HG   LEU  59           HG       LEU  59  -2.413   3.147   1.321
  449   1HD1  LEU  59          1HD1      LEU  59  -3.835   0.717   2.413
  450   2HD1  LEU  59          2HD1      LEU  59  -2.780   0.768   1.001
  451   3HD1  LEU  59          3HD1      LEU  59  -4.315   1.634   0.983
  452   1HD2  LEU  59          1HD2      LEU  59  -4.120   2.928   3.803
  453   2HD2  LEU  59          2HD2      LEU  59  -4.614   3.685   2.289
  454   3HD2  LEU  59          3HD2      LEU  59  -3.285   4.370   3.221
  455    H    ALA  60           H        ALA  60  -0.547   3.124   6.229
  456    HA   ALA  60           HA       ALA  60   2.124   1.873   6.054
  457   1HB   ALA  60          1HB       ALA  60   1.303   3.982   8.056
  458   2HB   ALA  60          2HB       ALA  60   2.351   4.246   6.662
  459   3HB   ALA  60          3HB       ALA  60   2.871   3.178   7.967
  460    H    VAL  61           H        VAL  61   2.255  -0.007   7.103
  461    HA   VAL  61           HA       VAL  61   0.502  -0.510   9.422
  462    HB   VAL  61           HB       VAL  61   1.044  -2.512   7.209
  463   1HG1  VAL  61          1HG1      VAL  61  -0.579  -3.943   8.410
  464   2HG1  VAL  61          2HG1      VAL  61  -0.626  -2.759   9.717
  465   3HG1  VAL  61          3HG1      VAL  61   0.873  -3.617   9.358
  466   1HG2  VAL  61          1HG2      VAL  61  -1.354  -2.349   6.707
  467   2HG2  VAL  61          2HG2      VAL  61  -0.534  -0.805   6.474
  468   3HG2  VAL  61          3HG2      VAL  61  -1.519  -1.071   7.914
  469    H    GLU  62           H        GLU  62   1.526  -1.397  11.142
  470    HA   GLU  62           HA       GLU  62   4.339  -1.938  11.071
  471   1HB   GLU  62          2HB       GLU  62   2.274  -2.378  13.247
  472   2HB   GLU  62          1HB       GLU  62   3.994  -2.665  13.458
  473   1HG   GLU  62          2HG       GLU  62   3.527  -0.551  14.404
  474   2HG   GLU  62          1HG       GLU  62   4.384  -0.258  12.896
  475    H    ALA  63           H        ALA  63   5.415  -3.888  11.077
  476    HA   ALA  63           HA       ALA  63   4.435  -6.019   9.662
  477   1HB   ALA  63          1HB       ALA  63   6.586  -6.186  11.773
  478   2HB   ALA  63          2HB       ALA  63   6.820  -5.603  10.124
  479   3HB   ALA  63          3HB       ALA  63   6.360  -7.283  10.409
  480    H    GLU  64           H        GLU  64   5.127  -6.396  13.155
  481    HA   GLU  64           HA       GLU  64   4.142  -7.580  14.800
  482   1HB   GLU  64          2HB       GLU  64   1.670  -7.056  13.132
  483   2HB   GLU  64          1HB       GLU  64   1.633  -7.748  14.748
  484   1HG   GLU  64          2HG       GLU  64   2.938  -5.642  15.455
  485   2HG   GLU  64          1HG       GLU  64   2.412  -4.978  13.910
  486    HA   PRO  65           HA       PRO  65   3.874 -11.990  14.169
  487   1HB   PRO  65          2HB       PRO  65   1.162 -11.900  15.440
  488   2HB   PRO  65          1HB       PRO  65   2.538 -12.955  15.789
  489   1HG   PRO  65          2HG       PRO  65   1.993 -10.911  17.385
  490   2HG   PRO  65          1HG       PRO  65   3.674 -11.296  16.968
  491   1HD   PRO  65          2HD       PRO  65   1.929  -9.087  15.960
  492   2HD   PRO  65          1HD       PRO  65   3.672  -9.095  16.282
  493    H    LEU  66           H        LEU  66   1.839 -10.022  12.372
  494    HA   LEU  66           HA       LEU  66   0.238 -12.187  11.255
  495   1HB   LEU  66          2HB       LEU  66  -0.759 -10.437   9.822
  496   2HB   LEU  66          1HB       LEU  66  -0.896 -10.097  11.534
  497    HG   LEU  66           HG       LEU  66   1.174  -8.576  11.196
  498   1HD1  LEU  66          1HD1      LEU  66   1.412  -7.618   8.955
  499   2HD1  LEU  66          2HD1      LEU  66   0.253  -8.790   8.326
  500   3HD1  LEU  66          3HD1      LEU  66   1.803  -9.337   8.968
  501   1HD2  LEU  66          1HD2      LEU  66  -1.505  -7.844  10.015
  502   2HD2  LEU  66          2HD2      LEU  66  -0.256  -6.699  10.509
  503   3HD2  LEU  66          3HD2      LEU  66  -1.037  -7.726  11.712
  504    H    GLY  67           H        GLY  67   3.327 -11.681  10.944
  505   1HA   GLY  67          2HA       GLY  67   3.758 -11.235   8.158
  506   2HA   GLY  67          1HA       GLY  67   4.942 -11.811   9.314
  507    H    GLU  68           H        GLU  68   1.977 -13.610   8.890
  508    HA   GLU  68           HA       GLU  68   3.447 -15.698   7.441
  509   1HB   GLU  68          2HB       GLU  68   2.225 -16.330   9.518
  510   2HB   GLU  68          1HB       GLU  68   0.720 -15.835   8.755
  511   1HG   GLU  68          2HG       GLU  68   0.949 -17.570   7.082
  512   2HG   GLU  68          1HG       GLU  68   2.525 -18.025   7.729
  513    H    ASP  69           H        ASP  69   0.605 -13.615   7.231
  514    HA   ASP  69           HA       ASP  69  -0.190 -14.550   4.625
  515   1HB   ASP  69          2HB       ASP  69  -0.963 -12.024   6.109
  516   2HB   ASP  69          1HB       ASP  69  -1.770 -12.669   4.682
  517    H    LEU  70           H        LEU  70   2.246 -12.523   5.758
  518    HA   LEU  70           HA       LEU  70   2.543 -11.170   3.147
  519   1HB   LEU  70          2HB       LEU  70   2.238  -9.630   5.045
  520   2HB   LEU  70          1HB       LEU  70   3.597 -10.367   5.871
  521    HG   LEU  70           HG       LEU  70   5.070  -9.594   3.984
  522   1HD1  LEU  70          1HD1      LEU  70   4.251  -7.828   2.518
  523   2HD1  LEU  70          2HD1      LEU  70   2.631  -7.996   3.196
  524   3HD1  LEU  70          3HD1      LEU  70   3.344  -9.320   2.274
  525   1HD2  LEU  70          1HD2      LEU  70   5.129  -7.250   4.748
  526   2HD2  LEU  70          2HD2      LEU  70   5.018  -8.397   6.082
  527   3HD2  LEU  70          3HD2      LEU  70   3.589  -7.497   5.572
  528    H    LYS  71           H        LYS  71   4.381 -11.574   1.964
  529    HA   LYS  71           HA       LYS  71   6.678 -12.846   3.309
  530   1HB   LYS  71          2HB       LYS  71   5.298 -14.608   2.231
  531   2HB   LYS  71          1HB       LYS  71   5.502 -13.795   0.684
  532   1HG   LYS  71          2HG       LYS  71   7.969 -14.131   0.912
  533   2HG   LYS  71          1HG       LYS  71   7.651 -15.097   2.356
  534   1HD   LYS  71          2HD       LYS  71   6.617 -15.676  -0.427
  535   2HD   LYS  71          1HD       LYS  71   7.952 -16.509   0.370
  536   1HE   LYS  71          2HE       LYS  71   6.495 -17.460   1.999
  537   2HE   LYS  71          1HE       LYS  71   5.155 -16.428   1.498
  538   1HZ   LYS  71          1HZ       LYS  71   6.404 -18.527  -0.187
  539   2HZ   LYS  71          2HZ       LYS  71   5.077 -17.571  -0.607
  540   3HZ   LYS  71          3HZ       LYS  71   4.947 -18.694   0.651
  541    H    TRP  72           H        TRP  72   8.621 -12.051   2.696
  542    HA   TRP  72           HA       TRP  72   8.733  -9.935   0.718
  543   1HB   TRP  72          2HB       TRP  72  10.953 -11.141   2.404
  544   2HB   TRP  72          1HB       TRP  72  11.063  -9.660   1.458
  545    HD1  TRP  72           HD1      TRP  72   9.520 -11.046   4.686
  546    HE1  TRP  72           HE1      TRP  72   8.825  -9.067   6.174
  547    HE3  TRP  72           HE3      TRP  72  10.379  -7.214   1.409
  548    HZ2  TRP  72           HZ2      TRP  72   8.664  -6.260   5.992
  549    HZ3  TRP  72           HZ3      TRP  72   9.934  -4.909   2.146
  550    HH2  TRP  72           HH2      TRP  72   9.094  -4.442   4.393
  551    H    GLU  73           H        GLU  73   8.405 -10.951  -1.282
  552    HA   GLU  73           HA       GLU  73  10.137 -13.207  -1.999
  553   1HB   GLU  73          2HB       GLU  73   7.739 -12.038  -3.429
  554   2HB   GLU  73          1HB       GLU  73   8.623 -13.473  -3.936
  555   1HG   GLU  73          2HG       GLU  73   8.019 -14.545  -1.778
  556   2HG   GLU  73          1HG       GLU  73   7.038 -13.133  -1.394
  557    H    ALA  74           H        ALA  74  11.972 -12.840  -3.037
  558    HA   ALA  74           HA       ALA  74  12.409 -10.361  -4.521
  559   1HB   ALA  74          1HB       ALA  74  14.745 -11.060  -4.624
  560   2HB   ALA  74          2HB       ALA  74  14.325 -12.620  -3.916
  561   3HB   ALA  74          3HB       ALA  74  14.141 -11.145  -2.970
  562    H    SER  75           H        SER  75  11.874 -10.278  -6.623
  563    HA   SER  75           HA       SER  75  12.021 -12.765  -8.223
  564   1HB   SER  75          2HB       SER  75  10.063 -10.467  -8.451
  565   2HB   SER  75          1HB       SER  75  10.168 -11.799  -9.602
  566    HG   SER  75           HG       SER  75   8.698 -12.549  -8.249
  567    H    ARG  76           H        ARG  76  14.243 -10.953  -7.986
  568    HA   ARG  76           HA       ARG  76  14.805 -10.591 -10.767
  569   1HB   ARG  76          2HB       ARG  76  13.440  -8.520 -10.169
  570   2HB   ARG  76          1HB       ARG  76  14.792  -8.032  -9.152
  571   1HG   ARG  76          2HG       ARG  76  16.265  -8.065 -11.138
  572   2HG   ARG  76          1HG       ARG  76  14.874  -8.489 -12.136
  573   1HD   ARG  76          2HD       ARG  76  13.781  -6.364 -11.331
  574   2HD   ARG  76          1HD       ARG  76  15.327  -5.929 -10.603
  575    HE   ARG  76           HE       ARG  76  14.726  -6.103 -13.463
  576   1HH1  ARG  76          1HH1      ARG  76  17.019  -5.401 -10.981
  577   2HH1  ARG  76          2HH1      ARG  76  18.075  -4.551 -12.050
  578   1HH2  ARG  76          1HH2      ARG  76  16.083  -4.987 -14.812
  579   2HH2  ARG  76          2HH2      ARG  76  17.559  -4.327 -14.190
  580    H    GLY  77           H        GLY  77  15.749  -9.986  -7.423
  581   1HA   GLY  77          2HA       GLY  77  18.029 -11.170  -7.077
  582   2HA   GLY  77          1HA       GLY  77  18.593  -9.942  -8.196
  583    H    GLY  78           H        GLY  78  17.782 -10.666  -4.934
  584   1HA   GLY  78          2HA       GLY  78  18.496  -9.525  -3.037
  585   2HA   GLY  78          1HA       GLY  78  19.004  -8.187  -4.053
  586    H    ALA  79           H        ALA  79  16.656  -7.455  -5.298
  587    HA   ALA  79           HA       ALA  79  15.291  -6.016  -3.266
  588   1HB   ALA  79          1HB       ALA  79  13.845  -5.208  -5.058
  589   2HB   ALA  79          2HB       ALA  79  14.478  -6.443  -6.145
  590   3HB   ALA  79          3HB       ALA  79  15.537  -5.164  -5.552
  591    H    ARG  80           H        ARG  80  14.090  -7.093  -1.793
  592    HA   ARG  80           HA       ARG  80  12.395  -9.334  -2.607
  593   1HB   ARG  80          2HB       ARG  80  13.123  -8.224   0.112
  594   2HB   ARG  80          1HB       ARG  80  12.006  -9.560  -0.125
  595   1HG   ARG  80          2HG       ARG  80  13.768 -10.900  -1.119
  596   2HG   ARG  80          1HG       ARG  80  14.898  -9.550  -0.991
  597   1HD   ARG  80          2HD       ARG  80  13.536 -10.906   1.344
  598   2HD   ARG  80          1HD       ARG  80  15.184 -11.231   0.804
  599    HE   ARG  80           HE       ARG  80  15.655  -8.847   1.327
  600   1HH1  ARG  80          1HH1      ARG  80  13.051 -10.457   2.919
  601   2HH1  ARG  80          2HH1      ARG  80  13.071  -9.377   4.265
  602   1HH2  ARG  80          1HH2      ARG  80  15.674  -7.487   3.052
  603   2HH2  ARG  80          2HH2      ARG  80  14.534  -7.707   4.337
  604    H    PHE  81           H        PHE  81  10.466  -8.772  -3.413
  605    HA   PHE  81           HA       PHE  81   9.096  -6.364  -2.567
  606   1HB   PHE  81          2HB       PHE  81   8.290  -8.522  -4.533
  607   2HB   PHE  81          1HB       PHE  81   7.430  -7.005  -4.289
  608    HD1  PHE  81           HD1      PHE  81  10.445  -8.576  -5.673
  609    HD2  PHE  81           HD2      PHE  81   8.313  -4.922  -5.148
  610    HE1  PHE  81           HE1      PHE  81  11.878  -7.502  -7.357
  611    HE2  PHE  81           HE2      PHE  81   9.744  -3.844  -6.835
  612    HZ   PHE  81           HZ       PHE  81  11.528  -5.132  -7.941
  613    HA   PRO  82           HA       PRO  82   6.834  -8.679   0.632
  614   1HB   PRO  82          2HB       PRO  82   5.347  -6.519   1.460
  615   2HB   PRO  82          1HB       PRO  82   6.987  -6.863   2.026
  616   1HG   PRO  82          2HG       PRO  82   6.070  -4.956  -0.095
  617   2HG   PRO  82          1HG       PRO  82   7.310  -4.732   1.155
  618   1HD   PRO  82          2HD       PRO  82   7.948  -5.302  -1.408
  619   2HD   PRO  82          1HD       PRO  82   8.910  -5.911  -0.045
  620    H    HIS  83           H        HIS  83   5.363 -10.016  -0.274
  621    HA   HIS  83           HA       HIS  83   3.071  -8.866  -1.732
  622   1HB   HIS  83          2HB       HIS  83   4.142 -11.699  -1.716
  623   2HB   HIS  83          1HB       HIS  83   2.726 -11.163  -2.610
  624    HD1  HIS  83           HD1      HIS  83   5.096 -12.416  -4.073
  625    HD2  HIS  83           HD2      HIS  83   4.635  -8.330  -3.512
  626    HE1  HIS  83           HE1      HIS  83   6.423 -11.335  -5.906
  627    HE2  HIS  83           HE2      HIS  83   6.005  -8.872  -5.634
  628    H    LEU  84           H        LEU  84   1.045  -9.042  -0.951
  629    HA   LEU  84           HA       LEU  84   0.625 -10.509   1.559
  630   1HB   LEU  84          2HB       LEU  84   0.030  -8.089   1.435
  631   2HB   LEU  84          1HB       LEU  84  -1.153  -8.471   0.198
  632    HG   LEU  84           HG       LEU  84  -2.399  -9.855   1.829
  633   1HD1  LEU  84          1HD1      LEU  84  -1.849  -9.740   4.207
  634   2HD1  LEU  84          2HD1      LEU  84  -0.385  -8.830   3.831
  635   3HD1  LEU  84          3HD1      LEU  84  -0.549 -10.499   3.288
  636   1HD2  LEU  84          1HD2      LEU  84  -1.865  -7.023   2.732
  637   2HD2  LEU  84          2HD2      LEU  84  -3.258  -8.005   3.190
  638   3HD2  LEU  84          3HD2      LEU  84  -3.031  -7.528   1.508
  639    H    TYR  85           H        TYR  85  -0.378 -12.419   1.508
  640    HA   TYR  85           HA       TYR  85  -1.336 -13.466  -0.999
  641   1HB   TYR  85          2HB       TYR  85  -1.008 -14.673   1.750
  642   2HB   TYR  85          1HB       TYR  85  -1.659 -15.578   0.386
  643    HD1  TYR  85           HD2      TYR  85   1.328 -13.498   1.298
  644    HD2  TYR  85           HD1      TYR  85  -0.187 -16.785  -0.946
  645    HE1  TYR  85           HE2      TYR  85   3.608 -14.037   0.550
  646    HE2  TYR  85           HE1      TYR  85   2.087 -17.329  -1.694
  647    HH   TYR  85           HH       TYR  85   4.347 -15.807  -1.980
  648    H    ARG  86           H        ARG  86  -2.938 -11.511   0.989
  649    HA   ARG  86           HA       ARG  86  -5.524 -12.641   0.234
  650   1HB   ARG  86          2HB       ARG  86  -6.490 -12.414   2.445
  651   2HB   ARG  86          1HB       ARG  86  -5.091 -13.473   2.530
  652   1HG   ARG  86          2HG       ARG  86  -3.750 -11.621   3.434
  653   2HG   ARG  86          1HG       ARG  86  -5.165 -10.570   3.363
  654   1HD   ARG  86          2HD       ARG  86  -6.343 -12.151   4.892
  655   2HD   ARG  86          1HD       ARG  86  -4.842 -13.066   5.034
  656    HE   ARG  86           HE       ARG  86  -4.651 -10.264   5.728
  657   1HH1  ARG  86          1HH1      ARG  86  -5.163 -13.481   6.847
  658   2HH1  ARG  86          2HH1      ARG  86  -4.774 -13.084   8.488
  659   1HH2  ARG  86          1HH2      ARG  86  -4.173  -9.777   7.865
  660   2HH2  ARG  86          2HH2      ARG  86  -4.250 -11.028   9.056
  661    HA   PRO  87           HA       PRO  87  -6.733  -8.457  -0.736
  662   1HB   PRO  87          2HB       PRO  87  -9.198  -8.996   0.880
  663   2HB   PRO  87          1HB       PRO  87  -9.044  -8.374  -0.768
  664   1HG   PRO  87          2HG       PRO  87  -9.774 -10.892  -0.359
  665   2HG   PRO  87          1HG       PRO  87  -8.643 -10.489  -1.668
  666   1HD   PRO  87          2HD       PRO  87  -8.089 -11.707   1.013
  667   2HD   PRO  87          1HD       PRO  87  -7.353 -12.069  -0.563
  668    H    LEU  88           H        LEU  88  -6.349  -6.487   0.154
  669    HA   LEU  88           HA       LEU  88  -5.608  -6.386   2.942
  670   1HB   LEU  88          2HB       LEU  88  -4.221  -5.306   1.229
  671   2HB   LEU  88          1HB       LEU  88  -5.555  -4.256   0.794
  672    HG   LEU  88           HG       LEU  88  -5.456  -3.231   3.056
  673   1HD1  LEU  88          1HD1      LEU  88  -4.495  -5.112   4.278
  674   2HD1  LEU  88          2HD1      LEU  88  -3.531  -3.652   4.495
  675   3HD1  LEU  88          3HD1      LEU  88  -2.977  -4.921   3.400
  676   1HD2  LEU  88          1HD2      LEU  88  -3.394  -1.961   2.681
  677   2HD2  LEU  88          2HD2      LEU  88  -4.301  -2.181   1.188
  678   3HD2  LEU  88          3HD2      LEU  88  -2.867  -3.159   1.498
  679    H    LEU  89           H        LEU  89  -7.621  -6.615   4.024
  680    HA   LEU  89           HA       LEU  89  -9.861  -4.947   3.666
  681   1HB   LEU  89          2HB       LEU  89  -8.904  -6.184   6.260
  682   2HB   LEU  89          1HB       LEU  89 -10.531  -5.632   5.911
  683    HG   LEU  89           HG       LEU  89  -9.136  -7.977   4.604
  684   1HD1  LEU  89          1HD1      LEU  89 -10.832  -9.323   5.773
  685   2HD1  LEU  89          2HD1      LEU  89 -11.410  -7.868   6.589
  686   3HD1  LEU  89          3HD1      LEU  89  -9.776  -8.460   6.892
  687   1HD2  LEU  89          1HD2      LEU  89 -11.290  -8.419   3.525
  688   2HD2  LEU  89          2HD2      LEU  89 -10.634  -6.858   3.036
  689   3HD2  LEU  89          3HD2      LEU  89 -11.944  -6.932   4.216
  690    H    VAL  90           H        VAL  90 -10.459  -2.951   4.587
  691    HA   VAL  90           HA       VAL  90  -8.415  -1.089   5.076
  692    HB   VAL  90           HB       VAL  90 -11.345  -0.897   5.839
  693   1HG1  VAL  90          1HG1      VAL  90 -10.996   1.536   5.891
  694   2HG1  VAL  90          2HG1      VAL  90  -9.270   1.295   5.620
  695   3HG1  VAL  90          3HG1      VAL  90 -10.018   0.719   7.111
  696   1HG2  VAL  90          1HG2      VAL  90  -9.880   0.176   3.421
  697   2HG2  VAL  90          2HG2      VAL  90 -11.600   0.355   3.769
  698   3HG2  VAL  90          3HG2      VAL  90 -10.929  -1.242   3.429
  699    H    SER  91           H        SER  91 -10.126  -3.208   7.261
  700    HA   SER  91           HA       SER  91  -9.407  -1.985   9.709
  701   1HB   SER  91          2HB       SER  91 -11.163  -3.702   9.568
  702   2HB   SER  91          1HB       SER  91  -9.958  -4.914   9.140
  703    HG   SER  91           HG       SER  91 -10.714  -4.573  11.482
  704    H    GLU  92           H        GLU  92  -7.570  -3.970   7.512
  705    HA   GLU  92           HA       GLU  92  -5.444  -4.569   9.364
  706   1HB   GLU  92          2HB       GLU  92  -5.980  -5.063   6.499
  707   2HB   GLU  92          1HB       GLU  92  -4.283  -4.853   6.899
  708   1HG   GLU  92          2HG       GLU  92  -4.960  -7.204   6.909
  709   2HG   GLU  92          1HG       GLU  92  -4.379  -6.668   8.484
  710    H    VAL  93           H        VAL  93  -6.279  -1.860   7.414
  711    HA   VAL  93           HA       VAL  93  -3.632  -0.747   7.244
  712    HB   VAL  93           HB       VAL  93  -6.260   0.712   6.895
  713   1HG1  VAL  93          1HG1      VAL  93  -3.478   1.319   5.873
  714   2HG1  VAL  93          2HG1      VAL  93  -4.346   2.202   7.129
  715   3HG1  VAL  93          3HG1      VAL  93  -4.936   2.225   5.467
  716   1HG2  VAL  93          1HG2      VAL  93  -6.029   0.241   4.487
  717   2HG2  VAL  93          2HG2      VAL  93  -6.229  -1.235   5.435
  718   3HG2  VAL  93          3HG2      VAL  93  -4.633  -0.782   4.830
  719    H    THR  94           H        THR  94  -2.873  -0.735   9.380
  720    HA   THR  94           HA       THR  94  -4.210   0.306  11.610
  721    HB   THR  94           HB       THR  94  -1.221   0.147  11.126
  722    HG1  THR  94           HG1      THR  94  -1.384  -1.854  12.049
  723   1HG2  THR  94          1HG2      THR  94  -1.709   1.708  12.948
  724   2HG2  THR  94          2HG2      THR  94  -1.016   0.214  13.582
  725   3HG2  THR  94          3HG2      THR  94  -2.751   0.506  13.715
  726    H    ARG  95           H        ARG  95  -1.866   1.940   9.452
  727    HA   ARG  95           HA       ARG  95  -2.975   4.521  10.347
  728   1HB   ARG  95          2HB       ARG  95  -0.033   3.855  10.053
  729   2HB   ARG  95          1HB       ARG  95  -0.665   5.481  10.279
  730   1HG   ARG  95          2HG       ARG  95  -1.569   4.842  12.457
  731   2HG   ARG  95          1HG       ARG  95  -0.973   3.197  12.230
  732   1HD   ARG  95          2HD       ARG  95   0.771   5.664  12.300
  733   2HD   ARG  95          1HD       ARG  95   0.486   4.601  13.677
  734    HE   ARG  95           HE       ARG  95   1.435   2.833  11.995
  735   1HH1  ARG  95          1HH1      ARG  95   2.525   6.079  12.453
  736   2HH1  ARG  95          2HH1      ARG  95   4.160   5.692  12.050
  737   1HH2  ARG  95          1HH2      ARG  95   3.530   2.360  11.475
  738   2HH2  ARG  95          2HH2      ARG  95   4.725   3.620  11.495
  739    H    GLU  96           H        GLU  96  -3.004   6.174   8.775
  740    HA   GLU  96           HA       GLU  96  -1.729   5.812   6.217
  741   1HB   GLU  96          2HB       GLU  96  -3.935   6.050   4.944
  742   2HB   GLU  96          1HB       GLU  96  -3.565   4.478   5.627
  743   1HG   GLU  96          2HG       GLU  96  -5.838   4.809   6.050
  744   2HG   GLU  96          1HG       GLU  96  -5.036   5.126   7.585
  745    H    ALA  97           H        ALA  97  -1.817   7.691   4.853
  746    HA   ALA  97           HA       ALA  97  -3.163  10.088   5.627
  747   1HB   ALA  97          1HB       ALA  97  -1.502  10.045   7.431
  748   2HB   ALA  97          2HB       ALA  97  -1.226  11.406   6.343
  749   3HB   ALA  97          3HB       ALA  97  -0.201   9.973   6.241
  750    H    ASP  98           H        ASP  98  -2.901  11.785   4.112
  751    HA   ASP  98           HA       ASP  98  -1.872  11.080   1.531
  752   1HB   ASP  98          2HB       ASP  98  -2.726  13.805   2.554
  753   2HB   ASP  98          1HB       ASP  98  -2.528  13.342   0.868
  754    H    LEU  99           H        LEU  99   0.150  11.459   0.696
  755    HA   LEU  99           HA       LEU  99   2.157  12.202   2.635
  756   1HB   LEU  99          2HB       LEU  99   3.770  11.542   0.818
  757   2HB   LEU  99          1HB       LEU  99   2.682  10.296   1.389
  758    HG   LEU  99           HG       LEU  99   1.242  10.774  -0.650
  759   1HD1  LEU  99          1HD1      LEU  99   2.096  12.959  -1.254
  760   2HD1  LEU  99          2HD1      LEU  99   2.370  11.820  -2.570
  761   3HD1  LEU  99          3HD1      LEU  99   3.706  12.288  -1.517
  762   1HD2  LEU  99          1HD2      LEU  99   2.663   8.806  -0.489
  763   2HD2  LEU  99          2HD2      LEU  99   4.044   9.731  -1.078
  764   3HD2  LEU  99          3HD2      LEU  99   2.664   9.435  -2.136
  765    H    ASP 100           H        ASP 100   4.175  13.414   1.693
  766    HA   ASP 100           HA       ASP 100   3.211  16.047   0.783
  767   1HB   ASP 100          2HB       ASP 100   4.123  16.127   3.002
  768   2HB   ASP 100          1HB       ASP 100   5.560  15.238   2.510
  769    H    LEU 101           H        LEU 101   3.945  16.885  -1.101
  770    HA   LEU 101           HA       LEU 101   5.919  15.347  -2.635
  771   1HB   LEU 101          2HB       LEU 101   4.077  17.572  -3.521
  772   2HB   LEU 101          1HB       LEU 101   5.128  16.641  -4.571
  773    HG   LEU 101           HG       LEU 101   2.731  15.589  -3.050
  774   1HD1  LEU 101          1HD1      LEU 101   1.766  15.266  -5.266
  775   2HD1  LEU 101          2HD1      LEU 101   3.208  15.962  -6.009
  776   3HD1  LEU 101          3HD1      LEU 101   2.166  16.962  -4.994
  777   1HD2  LEU 101          1HD2      LEU 101   4.576  14.119  -4.939
  778   2HD2  LEU 101          2HD2      LEU 101   3.127  13.471  -4.169
  779   3HD2  LEU 101          3HD2      LEU 101   4.525  13.907  -3.188
  780    H    ASP 102           H        ASP 102   7.683  16.329  -3.706
  781    HA   ASP 102           HA       ASP 102   8.822  18.631  -2.339
  782   1HB   ASP 102          2HB       ASP 102  10.168  16.610  -2.878
  783   2HB   ASP 102          1HB       ASP 102   9.934  16.931  -4.592
  784    H    ALA 103           H        ALA 103  10.027  20.274  -3.841
  785    HA   ALA 103           HA       ALA 103   8.248  21.681  -5.487
  786   1HB   ALA 103          1HB       ALA 103  10.221  22.689  -4.441
  787   2HB   ALA 103          2HB       ALA 103  10.192  22.988  -6.179
  788   3HB   ALA 103          3HB       ALA 103  11.268  21.758  -5.513
  789    H    ASP 104           H        ASP 104  10.398  19.022  -6.210
  790    HA   ASP 104           HA       ASP 104   9.896  19.242  -9.091
  791   1HB   ASP 104          2HB       ASP 104  11.640  17.327  -7.513
  792   2HB   ASP 104          1HB       ASP 104  11.493  17.339  -9.269
  793    H    GLY 105           H        GLY 105   8.088  18.238  -6.680
  794   1HA   GLY 105          2HA       GLY 105   6.086  17.029  -6.928
  795   2HA   GLY 105          1HA       GLY 105   6.797  16.174  -8.282
  796    H    VAL 106           H        VAL 106   9.236  15.478  -6.760
  797    HA   VAL 106           HA       VAL 106   8.509  12.887  -6.092
  798    HB   VAL 106           HB       VAL 106  10.946  14.407  -5.136
  799   1HG1  VAL 106          1HG1      VAL 106  10.616  12.396  -3.800
  800   2HG1  VAL 106          2HG1      VAL 106  11.990  12.185  -4.882
  801   3HG1  VAL 106          3HG1      VAL 106  10.446  11.423  -5.262
  802   1HG2  VAL 106          1HG2      VAL 106  10.745  14.405  -7.567
  803   2HG2  VAL 106          2HG2      VAL 106  10.543  12.652  -7.567
  804   3HG2  VAL 106          3HG2      VAL 106  12.076  13.364  -7.056
  805    HA   PRO 107           HA       PRO 107   6.639  13.419  -2.008
  806   1HB   PRO 107          2HB       PRO 107   7.040  10.471  -1.929
  807   2HB   PRO 107          1HB       PRO 107   5.569  11.414  -1.668
  808   1HG   PRO 107          2HG       PRO 107   5.921  10.021  -3.920
  809   2HG   PRO 107          1HG       PRO 107   5.135  11.612  -3.944
  810   1HD   PRO 107          2HD       PRO 107   7.940  10.870  -4.708
  811   2HD   PRO 107          1HD       PRO 107   6.823  12.009  -5.490
  812    H    GLN 108           H        GLN 108   8.176  14.364  -0.708
  813    HA   GLN 108           HA       GLN 108  10.711  13.114  -0.170
  814   1HB   GLN 108          2HB       GLN 108   9.418  15.626   0.897
  815   2HB   GLN 108          1HB       GLN 108  11.001  15.071   1.430
  816   1HG   GLN 108          2HG       GLN 108  10.239  15.771  -1.403
  817   2HG   GLN 108          1HG       GLN 108  11.177  16.782  -0.304
  818   1HE2  GLN 108          1HE2      GLN 108  11.893  15.628  -2.915
  819   2HE2  GLN 108          2HE2      GLN 108  13.326  14.709  -2.640
  820    H    LEU 109           H        LEU 109   9.511  11.135   0.629
  821    HA   LEU 109           HA       LEU 109   8.929  11.344   3.494
  822   1HB   LEU 109          2HB       LEU 109   8.124   8.966   3.254
  823   2HB   LEU 109          1HB       LEU 109   7.197  10.187   2.407
  824    HG   LEU 109           HG       LEU 109   8.434   9.535   0.312
  825   1HD1  LEU 109          1HD1      LEU 109   9.349   7.251   2.043
  826   2HD1  LEU 109          2HD1      LEU 109  10.360   8.445   1.230
  827   3HD1  LEU 109          3HD1      LEU 109   9.443   7.273   0.282
  828   1HD2  LEU 109          1HD2      LEU 109   6.737   7.434   1.646
  829   2HD2  LEU 109          2HD2      LEU 109   7.072   7.537  -0.083
  830   3HD2  LEU 109          3HD2      LEU 109   6.159   8.817   0.714
  831    H    GLY 110           H        GLY 110  11.634  11.036   1.774
  832   1HA   GLY 110          2HA       GLY 110  12.969   8.755   2.699
  833   2HA   GLY 110          1HA       GLY 110  13.748  10.271   2.273
  834    H    ASP 111           H        ASP 111  12.960  12.021   4.129
  835    HA   ASP 111           HA       ASP 111  14.242  11.259   6.560
  836   1HB   ASP 111          2HB       ASP 111  12.444  13.646   6.046
  837   2HB   ASP 111          1HB       ASP 111  13.626  13.480   7.343
  838    H    HIS 112           H        HIS 112  11.052  10.975   5.401
  839    HA   HIS 112           HA       HIS 112   9.638  10.897   7.901
  840   1HB   HIS 112          2HB       HIS 112   8.552  11.564   5.809
  841   2HB   HIS 112          1HB       HIS 112   8.914  10.007   5.100
  842    HD1  HIS 112           HD1      HIS 112   7.037  11.081   8.255
  843    HD2  HIS 112           HD2      HIS 112   6.675   8.585   4.946
  844    HE1  HIS 112           HE1      HIS 112   4.816   9.930   8.522
  845    HE2  HIS 112           HE2      HIS 112   4.531   8.612   6.401
  846    H    LEU 113           H        LEU 113  11.252   8.559   5.852
  847    HA   LEU 113           HA       LEU 113  10.266   6.321   7.501
  848   1HB   LEU 113          2HB       LEU 113  11.740   6.220   4.863
  849   2HB   LEU 113          1HB       LEU 113  11.021   4.861   5.706
  850    HG   LEU 113           HG       LEU 113   9.600   7.126   4.309
  851   1HD1  LEU 113          1HD1      LEU 113  10.361   5.308   2.879
  852   2HD1  LEU 113          2HD1      LEU 113   8.603   5.326   2.995
  853   3HD1  LEU 113          3HD1      LEU 113   9.532   4.135   3.905
  854   1HD2  LEU 113          1HD2      LEU 113   8.417   6.759   6.382
  855   2HD2  LEU 113          2HD2      LEU 113   8.412   5.016   6.109
  856   3HD2  LEU 113          3HD2      LEU 113   7.489   6.079   5.045
  857    H    ALA 114           H        ALA 114  12.601   4.673   6.541
  858    HA   ALA 114           HA       ALA 114  14.202   4.918   8.835
  859   1HB   ALA 114          1HB       ALA 114  14.889   3.511   6.251
  860   2HB   ALA 114          2HB       ALA 114  13.923   2.827   7.558
  861   3HB   ALA 114          3HB       ALA 114  15.620   3.224   7.831
  862    H    LEU 115           H        LEU 115  15.672   6.417   9.309
  863    HA   LEU 115           HA       LEU 115  16.904   8.060   7.250
  864   1HB   LEU 115          2HB       LEU 115  16.026   8.980   9.395
  865   2HB   LEU 115          1HB       LEU 115  17.258   8.088  10.259
  866    HG   LEU 115           HG       LEU 115  18.174  10.018   8.165
  867   1HD1  LEU 115          1HD1      LEU 115  17.187  10.870  10.891
  868   2HD1  LEU 115          2HD1      LEU 115  16.452  11.290   9.343
  869   3HD1  LEU 115          3HD1      LEU 115  18.061  11.886   9.744
  870   1HD2  LEU 115          1HD2      LEU 115  19.189   9.279  10.915
  871   2HD2  LEU 115          2HD2      LEU 115  19.983  10.383   9.791
  872   3HD2  LEU 115          3HD2      LEU 115  19.814   8.678   9.379
  873    H    GLU 116           H        GLU 116  17.574   5.117   8.643
  874    HA   GLU 116           HA       GLU 116  19.334   3.672   8.564
  875   1HB   GLU 116          2HB       GLU 116  20.815   5.814   7.013
  876   2HB   GLU 116          1HB       GLU 116  21.234   4.111   7.108
  877   1HG   GLU 116          2HG       GLU 116  19.365   3.486   5.787
  878   2HG   GLU 116          1HG       GLU 116  18.658   5.099   5.912
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1   5.594  -3.776  15.514
    2   2H    MET   1          2H        MET   1   6.080  -3.173  17.015
    3   3H    MET   1          3H        MET   1   6.911  -4.471  16.319
    4    HA   MET   1           HA       MET   1   6.784  -1.716  15.234
    5   1HB   MET   1          2HB       MET   1   8.154  -2.155  17.369
    6   2HB   MET   1          1HB       MET   1   9.216  -3.120  16.354
    7   1HG   MET   1          2HG       MET   1   8.630  -0.179  16.049
    8   2HG   MET   1          1HG       MET   1  10.114  -0.898  16.666
    9   1HE   MET   1          1HE       MET   1  11.346   0.559  13.278
   10   2HE   MET   1          2HE       MET   1  11.610   0.468  15.019
   11   3HE   MET   1          3HE       MET   1  10.178   1.281  14.385
   12    H    THR   2           H        THR   2   6.287  -2.381  13.146
   13    HA   THR   2           HA       THR   2   8.420  -3.173  11.448
   14    HB   THR   2           HB       THR   2   6.956  -5.238  10.544
   15    HG1  THR   2           HG1      THR   2   5.868  -6.285  12.091
   16   1HG2  THR   2          1HG2      THR   2   9.340  -5.356  11.135
   17   2HG2  THR   2          2HG2      THR   2   8.456  -6.779  11.688
   18   3HG2  THR   2          3HG2      THR   2   8.906  -5.519  12.837
   19    H    LEU   3           H        LEU   3   7.643  -1.179  10.540
   20    HA   LEU   3           HA       LEU   3   4.926  -1.088   9.506
   21   1HB   LEU   3          2HB       LEU   3   7.142   0.965   9.481
   22   2HB   LEU   3          1HB       LEU   3   5.525   1.245   8.861
   23    HG   LEU   3           HG       LEU   3   6.206   0.613  11.740
   24   1HD1  LEU   3          1HD1      LEU   3   6.952   2.847  11.083
   25   2HD1  LEU   3          2HD1      LEU   3   5.591   2.926  12.202
   26   3HD1  LEU   3          3HD1      LEU   3   5.335   3.213  10.481
   27   1HD2  LEU   3          1HD2      LEU   3   3.574   1.327  10.445
   28   2HD2  LEU   3          2HD2      LEU   3   3.853   1.181  12.180
   29   3HD2  LEU   3          3HD2      LEU   3   4.011  -0.235  11.141
   30    H    ILE   4           H        ILE   4   4.526  -2.048   7.605
   31    HA   ILE   4           HA       ILE   4   6.427  -1.713   5.388
   32    HB   ILE   4           HB       ILE   4   4.960  -3.270   4.126
   33   1HG1  ILE   4          2HG1      ILE   4   3.440  -3.485   6.745
   34   2HG1  ILE   4          1HG1      ILE   4   2.820  -2.791   5.251
   35   1HG2  ILE   4          1HG2      ILE   4   5.560  -5.293   5.377
   36   2HG2  ILE   4          2HG2      ILE   4   5.877  -4.316   6.810
   37   3HG2  ILE   4          3HG2      ILE   4   6.880  -4.124   5.371
   38   1HD1  ILE   4          1HD1      ILE   4   1.938  -5.010   5.592
   39   2HD1  ILE   4          2HD1      ILE   4   3.567  -5.672   5.713
   40   3HD1  ILE   4          3HD1      ILE   4   3.001  -5.000   4.184
   41    H    TYR   5           H        TYR   5   5.840  -0.627   3.459
   42    HA   TYR   5           HA       TYR   5   3.602   1.264   3.853
   43   1HB   TYR   5          2HB       TYR   5   6.337   1.778   2.666
   44   2HB   TYR   5          1HB       TYR   5   5.017   2.944   2.659
   45    HD1  TYR   5           HD2      TYR   5   7.412   1.131   4.809
   46    HD2  TYR   5           HD1      TYR   5   4.424   4.163   4.650
   47    HE1  TYR   5           HE2      TYR   5   8.073   1.899   7.054
   48    HE2  TYR   5           HE1      TYR   5   5.079   4.933   6.889
   49    HH   TYR   5           HH       TYR   5   6.192   4.094   8.871
   50    H    LYS   6           H        LYS   6   2.416   1.957   2.096
   51    HA   LYS   6           HA       LYS   6   2.977   0.935  -0.573
   52   1HB   LYS   6          2HB       LYS   6   1.781  -0.905   0.517
   53   2HB   LYS   6          1HB       LYS   6   0.470   0.181   0.952
   54   1HG   LYS   6          2HG       LYS   6  -0.216   0.405  -1.308
   55   2HG   LYS   6          1HG       LYS   6   1.259  -0.367  -1.901
   56   1HD   LYS   6          2HD       LYS   6   0.595  -2.476  -0.882
   57   2HD   LYS   6          1HD       LYS   6  -0.850  -1.721  -0.209
   58   1HE   LYS   6          2HE       LYS   6  -1.822  -1.454  -2.339
   59   2HE   LYS   6          1HE       LYS   6  -0.303  -1.781  -3.165
   60   1HZ   LYS   6          1HZ       LYS   6  -1.878  -3.737  -1.593
   61   2HZ   LYS   6          2HZ       LYS   6  -0.406  -4.056  -2.357
   62   3HZ   LYS   6          3HZ       LYS   6  -1.768  -3.676  -3.280
   63    H    ILE   7           H        ILE   7   2.629   2.587  -1.935
   64    HA   ILE   7           HA       ILE   7   0.962   4.832  -1.063
   65    HB   ILE   7           HB       ILE   7   2.810   4.682  -3.466
   66   1HG1  ILE   7          2HG1      ILE   7   4.236   6.259  -2.004
   67   2HG1  ILE   7          1HG1      ILE   7   3.274   5.683  -0.649
   68   1HG2  ILE   7          1HG2      ILE   7   2.633   7.140  -3.475
   69   2HG2  ILE   7          2HG2      ILE   7   1.455   7.049  -2.165
   70   3HG2  ILE   7          3HG2      ILE   7   1.074   6.359  -3.742
   71   1HD1  ILE   7          1HD1      ILE   7   4.045   3.411  -1.058
   72   2HD1  ILE   7          2HD1      ILE   7   5.400   4.515  -0.824
   73   3HD1  ILE   7          3HD1      ILE   7   4.978   3.970  -2.447
   74    H    LEU   8           H        LEU   8  -0.709   5.726  -2.298
   75    HA   LEU   8           HA       LEU   8  -1.405   4.707  -4.905
   76   1HB   LEU   8          2HB       LEU   8  -3.556   3.813  -4.416
   77   2HB   LEU   8          1HB       LEU   8  -2.413   3.013  -3.355
   78    HG   LEU   8           HG       LEU   8  -4.234   5.285  -2.519
   79   1HD1  LEU   8          1HD1      LEU   8  -5.526   3.305  -3.059
   80   2HD1  LEU   8          2HD1      LEU   8  -5.508   3.579  -1.319
   81   3HD1  LEU   8          3HD1      LEU   8  -4.490   2.322  -2.024
   82   1HD2  LEU   8          1HD2      LEU   8  -3.588   4.661  -0.240
   83   2HD2  LEU   8          2HD2      LEU   8  -2.194   5.174  -1.189
   84   3HD2  LEU   8          3HD2      LEU   8  -2.467   3.459  -0.883
   85    H    SER   9           H        SER   9  -3.517   5.800  -5.694
   86    HA   SER   9           HA       SER   9  -3.403   8.612  -5.016
   87   1HB   SER   9          2HB       SER   9  -3.777   8.095  -7.336
   88   2HB   SER   9          1HB       SER   9  -5.168   7.082  -6.945
   89    HG   SER   9           HG       SER   9  -5.248   9.590  -7.563
   90    H    ARG  10           H        ARG  10  -5.005   9.861  -4.057
   91    HA   ARG  10           HA       ARG  10  -6.485   8.729  -1.969
   92   1HB   ARG  10          2HB       ARG  10  -5.803  11.087  -2.017
   93   2HB   ARG  10          1HB       ARG  10  -6.905  11.392  -3.352
   94   1HG   ARG  10          2HG       ARG  10  -7.840  12.192  -1.264
   95   2HG   ARG  10          1HG       ARG  10  -8.811  10.866  -1.905
   96   1HD   ARG  10          2HD       ARG  10  -7.651   9.318  -0.357
   97   2HD   ARG  10          1HD       ARG  10  -6.767  10.690   0.314
   98    HE   ARG  10           HE       ARG  10  -9.605  11.052   0.408
   99   1HH1  ARG  10          1HH1      ARG  10  -6.936   9.601   2.021
  100   2HH1  ARG  10          2HH1      ARG  10  -7.728   9.562   3.555
  101   1HH2  ARG  10          1HH2      ARG  10 -10.621  11.026   2.379
  102   2HH2  ARG  10          2HH2      ARG  10  -9.799  10.393   3.761
  103    H    ALA  11           H        ALA  11  -7.361   9.294  -5.314
  104    HA   ALA  11           HA       ALA  11 -10.162   9.095  -5.123
  105   1HB   ALA  11          1HB       ALA  11 -10.129   8.588  -7.504
  106   2HB   ALA  11          2HB       ALA  11  -8.402   8.241  -7.424
  107   3HB   ALA  11          3HB       ALA  11  -8.984   9.880  -7.135
  108    H    GLU  12           H        GLU  12  -7.876   6.514  -6.124
  109    HA   GLU  12           HA       GLU  12  -9.713   4.396  -5.956
  110   1HB   GLU  12          2HB       GLU  12  -6.695   4.433  -5.766
  111   2HB   GLU  12          1HB       GLU  12  -7.620   2.941  -5.715
  112   1HG   GLU  12          2HG       GLU  12  -6.871   3.191  -7.935
  113   2HG   GLU  12          1HG       GLU  12  -8.590   3.570  -7.940
  114    H    TRP  13           H        TRP  13  -7.696   5.879  -3.484
  115    HA   TRP  13           HA       TRP  13  -7.944   3.871  -1.518
  116   1HB   TRP  13          2HB       TRP  13  -6.226   5.580  -1.357
  117   2HB   TRP  13          1HB       TRP  13  -7.446   6.842  -1.232
  118    HD1  TRP  13           HD1      TRP  13  -7.311   7.744   1.144
  119    HE1  TRP  13           HE1      TRP  13  -7.230   6.736   3.503
  120    HE3  TRP  13           HE3      TRP  13  -7.046   2.785  -0.090
  121    HZ2  TRP  13           HZ2      TRP  13  -7.092   4.187   4.695
  122    HZ3  TRP  13           HZ3      TRP  13  -6.950   1.125   1.723
  123    HH2  TRP  13           HH2      TRP  13  -6.972   1.813   4.069
  124    H    ASP  14           H        ASP  14  -9.848   6.861  -2.016
  125    HA   ASP  14           HA       ASP  14 -11.618   6.378   0.152
  126   1HB   ASP  14          2HB       ASP  14 -11.153   8.526  -1.395
  127   2HB   ASP  14          1HB       ASP  14 -12.592   7.922  -2.209
  128    H    ALA  15           H        ALA  15 -11.754   5.645  -3.300
  129    HA   ALA  15           HA       ALA  15 -14.277   4.440  -3.439
  130   1HB   ALA  15          1HB       ALA  15 -11.795   3.709  -5.006
  131   2HB   ALA  15          2HB       ALA  15 -12.890   5.036  -5.394
  132   3HB   ALA  15          3HB       ALA  15 -13.464   3.369  -5.468
  133    H    ALA  16           H        ALA  16 -11.156   3.141  -2.407
  134    HA   ALA  16           HA       ALA  16 -11.913   0.447  -2.071
  135   1HB   ALA  16          1HB       ALA  16  -9.860   2.014  -0.502
  136   2HB   ALA  16          2HB       ALA  16  -9.578   1.213  -2.048
  137   3HB   ALA  16          3HB       ALA  16  -9.970   0.257  -0.619
  138    H    LYS  17           H        LYS  17 -12.029   3.210   0.168
  139    HA   LYS  17           HA       LYS  17 -13.061   1.839   2.401
  140   1HB   LYS  17          2HB       LYS  17 -13.492   4.716   1.562
  141   2HB   LYS  17          1HB       LYS  17 -13.877   4.063   3.150
  142   1HG   LYS  17          2HG       LYS  17 -11.485   3.516   3.469
  143   2HG   LYS  17          1HG       LYS  17 -11.132   4.266   1.909
  144   1HD   LYS  17          2HD       LYS  17 -12.041   6.399   2.748
  145   2HD   LYS  17          1HD       LYS  17 -12.349   5.642   4.312
  146   1HE   LYS  17          2HE       LYS  17  -9.927   5.181   4.522
  147   2HE   LYS  17          1HE       LYS  17  -9.658   6.033   3.001
  148   1HZ   LYS  17          1HZ       LYS  17  -9.246   7.476   4.881
  149   2HZ   LYS  17          2HZ       LYS  17 -10.803   7.208   5.476
  150   3HZ   LYS  17          3HZ       LYS  17 -10.591   8.031   4.017
  151    H    ALA  18           H        ALA  18 -14.664   3.251  -0.406
  152    HA   ALA  18           HA       ALA  18 -17.330   3.075   0.407
  153   1HB   ALA  18          1HB       ALA  18 -16.235   2.677  -2.379
  154   2HB   ALA  18          2HB       ALA  18 -16.592   4.233  -1.628
  155   3HB   ALA  18          3HB       ALA  18 -17.898   3.095  -1.963
  156    H    GLN  19           H        GLN  19 -15.151   0.554  -0.664
  157    HA   GLN  19           HA       GLN  19 -17.330  -1.430  -0.455
  158   1HB   GLN  19          2HB       GLN  19 -15.766  -2.972  -1.656
  159   2HB   GLN  19          1HB       GLN  19 -16.251  -1.564  -2.592
  160   1HG   GLN  19          2HG       GLN  19 -14.118  -0.489  -2.115
  161   2HG   GLN  19          1HG       GLN  19 -13.629  -1.867  -1.131
  162   1HE2  GLN  19          1HE2      GLN  19 -12.400  -0.738  -3.533
  163   2HE2  GLN  19          2HE2      GLN  19 -12.328  -2.025  -4.679
  164    H    GLY  20           H        GLY  20 -14.951  -0.119   1.393
  165   1HA   GLY  20          2HA       GLY  20 -14.247  -0.678   3.512
  166   2HA   GLY  20          1HA       GLY  20 -15.223  -2.129   3.403
  167    H    ARG  21           H        ARG  21 -13.179  -2.156   0.775
  168    HA   ARG  21           HA       ARG  21 -11.063  -3.605   2.227
  169   1HB   ARG  21          2HB       ARG  21 -11.194  -5.478   0.641
  170   2HB   ARG  21          1HB       ARG  21 -12.718  -5.280   1.501
  171   1HG   ARG  21          2HG       ARG  21 -13.736  -4.238  -0.411
  172   2HG   ARG  21          1HG       ARG  21 -12.196  -4.195  -1.267
  173   1HD   ARG  21          2HD       ARG  21 -12.162  -6.667  -1.271
  174   2HD   ARG  21          1HD       ARG  21 -13.741  -6.671  -0.483
  175    HE   ARG  21           HE       ARG  21 -14.385  -5.289  -2.586
  176   1HH1  ARG  21          1HH1      ARG  21 -12.249  -8.001  -2.504
  177   2HH1  ARG  21          2HH1      ARG  21 -12.585  -8.439  -4.139
  178   1HH2  ARG  21          1HH2      ARG  21 -14.793  -5.887  -4.689
  179   2HH2  ARG  21          2HH2      ARG  21 -13.997  -7.275  -5.349
  180    H    PHE  22           H        PHE  22  -9.073  -3.815   1.090
  181    HA   PHE  22           HA       PHE  22  -8.889  -2.424  -1.502
  182   1HB   PHE  22          2HB       PHE  22  -7.889  -1.070   0.399
  183   2HB   PHE  22          1HB       PHE  22  -6.704  -2.356   0.601
  184    HD1  PHE  22           HD2      PHE  22  -8.085  -0.070  -1.989
  185    HD2  PHE  22           HD1      PHE  22  -4.676  -2.229  -0.603
  186    HE1  PHE  22           HE2      PHE  22  -6.711   0.985  -3.731
  187    HE2  PHE  22           HE1      PHE  22  -3.305  -1.165  -2.338
  188    HZ   PHE  22           HZ       PHE  22  -4.316   0.439  -3.907
  189    H    GLU  23           H        GLU  23  -7.057  -3.141  -2.817
  190    HA   GLU  23           HA       GLU  23  -5.688  -4.666  -3.786
  191   1HB   GLU  23          2HB       GLU  23  -5.808  -6.186  -1.178
  192   2HB   GLU  23          1HB       GLU  23  -4.647  -6.430  -2.479
  193   1HG   GLU  23          2HG       GLU  23  -3.754  -4.193  -2.130
  194   2HG   GLU  23          1HG       GLU  23  -4.942  -3.903  -0.863
  195    H    GLY  24           H        GLY  24  -5.688  -7.492  -3.733
  196   1HA   GLY  24          2HA       GLY  24  -6.824  -9.232  -4.736
  197   2HA   GLY  24          1HA       GLY  24  -8.294  -8.574  -4.033
  198    H    SER  25           H        SER  25  -6.377  -6.570  -6.081
  199    HA   SER  25           HA       SER  25  -8.540  -6.372  -8.024
  200   1HB   SER  25          2HB       SER  25  -7.602  -4.286  -7.208
  201   2HB   SER  25          1HB       SER  25  -5.977  -4.788  -7.672
  202    HG   SER  25           HG       SER  25  -8.145  -4.029  -9.319
  203    H    ALA  26           H        ALA  26  -7.486  -5.803 -10.377
  204    HA   ALA  26           HA       ALA  26  -6.977  -8.199 -11.606
  205   1HB   ALA  26          1HB       ALA  26  -6.300  -6.947 -13.563
  206   2HB   ALA  26          2HB       ALA  26  -6.003  -5.514 -12.578
  207   3HB   ALA  26          3HB       ALA  26  -7.645  -6.131 -12.765
  208    H    VAL  27           H        VAL  27  -4.525  -5.883 -10.450
  209    HA   VAL  27           HA       VAL  27  -2.221  -7.116 -11.440
  210    HB   VAL  27           HB       VAL  27  -2.486  -5.657  -8.794
  211   1HG1  VAL  27          1HG1      VAL  27  -0.100  -5.117  -9.111
  212   2HG1  VAL  27          2HG1      VAL  27  -0.066  -6.144 -10.546
  213   3HG1  VAL  27          3HG1      VAL  27  -0.372  -6.853  -8.960
  214   1HG2  VAL  27          1HG2      VAL  27  -3.365  -4.328 -10.649
  215   2HG2  VAL  27          2HG2      VAL  27  -1.863  -4.566 -11.544
  216   3HG2  VAL  27          3HG2      VAL  27  -1.857  -3.646 -10.040
  217    H    ASP  28           H        ASP  28  -4.034  -7.797  -8.475
  218    HA   ASP  28           HA       ASP  28  -2.217  -9.688  -7.376
  219   1HB   ASP  28          2HB       ASP  28  -3.781  -8.659  -5.904
  220   2HB   ASP  28          1HB       ASP  28  -5.145  -9.105  -6.918
  221    H    LEU  29           H        LEU  29  -5.265 -10.113  -9.200
  222    HA   LEU  29           HA       LEU  29  -5.097 -12.933  -9.378
  223   1HB   LEU  29          2HB       LEU  29  -6.603 -10.910 -11.033
  224   2HB   LEU  29          1HB       LEU  29  -6.728 -12.635 -11.310
  225    HG   LEU  29           HG       LEU  29  -8.627 -11.975 -10.030
  226   1HD1  LEU  29          1HD1      LEU  29  -7.680 -14.110  -9.391
  227   2HD1  LEU  29          2HD1      LEU  29  -8.382 -13.305  -7.989
  228   3HD1  LEU  29          3HD1      LEU  29  -6.633 -13.321  -8.211
  229   1HD2  LEU  29          1HD2      LEU  29  -8.483 -10.851  -7.870
  230   2HD2  LEU  29          2HD2      LEU  29  -7.790  -9.860  -9.153
  231   3HD2  LEU  29          3HD2      LEU  29  -6.732 -10.728  -8.039
  232    H    ALA  30           H        ALA  30  -3.644 -10.394 -11.253
  233    HA   ALA  30           HA       ALA  30  -2.995 -12.009 -13.538
  234   1HB   ALA  30          1HB       ALA  30  -1.858  -9.340 -12.694
  235   2HB   ALA  30          2HB       ALA  30  -3.292  -9.573 -13.696
  236   3HB   ALA  30          3HB       ALA  30  -1.712 -10.085 -14.288
  237    H    ASP  31           H        ASP  31  -1.017 -10.592 -10.922
  238    HA   ASP  31           HA       ASP  31   1.332 -12.000 -11.830
  239   1HB   ASP  31          2HB       ASP  31   1.362  -9.687 -10.874
  240   2HB   ASP  31          1HB       ASP  31   0.964 -10.376  -9.305
  241    H    GLY  32           H        GLY  32  -1.066 -12.466  -9.308
  242   1HA   GLY  32          2HA       GLY  32  -1.355 -14.824  -8.611
  243   2HA   GLY  32          1HA       GLY  32   0.391 -14.907  -8.450
  244    H    PHE  33           H        PHE  33   0.437 -12.172  -7.250
  245    HA   PHE  33           HA       PHE  33  -0.997 -12.457  -4.748
  246   1HB   PHE  33          2HB       PHE  33   1.157 -12.211  -3.415
  247   2HB   PHE  33          1HB       PHE  33   0.867 -13.787  -4.140
  248    HD1  PHE  33           HD1      PHE  33   2.686 -10.583  -4.745
  249    HD2  PHE  33           HD2      PHE  33   2.511 -14.784  -5.443
  250    HE1  PHE  33           HE1      PHE  33   4.885 -10.496  -5.836
  251    HE2  PHE  33           HE2      PHE  33   4.715 -14.699  -6.531
  252    HZ   PHE  33           HZ       PHE  33   5.904 -12.551  -6.730
  253    H    ILE  34           H        ILE  34  -0.521 -10.600  -3.256
  254    HA   ILE  34           HA       ILE  34  -0.717  -8.154  -4.768
  255    HB   ILE  34           HB       ILE  34  -0.711  -8.525  -1.764
  256   1HG1  ILE  34          2HG1      ILE  34  -3.068  -8.418  -3.676
  257   2HG1  ILE  34          1HG1      ILE  34  -2.456  -9.885  -2.917
  258   1HG2  ILE  34          1HG2      ILE  34  -1.749  -6.274  -3.497
  259   2HG2  ILE  34          2HG2      ILE  34  -0.310  -6.219  -2.479
  260   3HG2  ILE  34          3HG2      ILE  34  -1.902  -6.381  -1.745
  261   1HD1  ILE  34          1HD1      ILE  34  -4.438  -9.009  -1.800
  262   2HD1  ILE  34          2HD1      ILE  34  -3.579  -7.505  -1.458
  263   3HD1  ILE  34          3HD1      ILE  34  -3.035  -9.020  -0.733
  264    H    HIS  35           H        HIS  35   0.602  -6.291  -4.519
  265    HA   HIS  35           HA       HIS  35   3.381  -6.892  -3.708
  266   1HB   HIS  35          2HB       HIS  35   2.334  -4.996  -5.823
  267   2HB   HIS  35          1HB       HIS  35   4.024  -5.111  -5.348
  268    HD1  HIS  35           HD1      HIS  35   5.037  -6.071  -7.419
  269    HD2  HIS  35           HD2      HIS  35   1.688  -8.193  -6.186
  270    HE1  HIS  35           HE1      HIS  35   4.949  -8.103  -8.885
  271    HE2  HIS  35           HE2      HIS  35   3.024  -9.450  -7.996
  272    H    LEU  36           H        LEU  36   4.026  -5.892  -1.896
  273    HA   LEU  36           HA       LEU  36   3.204  -3.080  -1.473
  274   1HB   LEU  36          2HB       LEU  36   3.936  -5.165   0.594
  275   2HB   LEU  36          1HB       LEU  36   3.753  -3.459   0.950
  276    HG   LEU  36           HG       LEU  36   1.353  -3.715   0.028
  277   1HD1  LEU  36          1HD1      LEU  36   0.395  -5.969   0.274
  278   2HD1  LEU  36          2HD1      LEU  36   2.018  -6.615   0.511
  279   3HD1  LEU  36          3HD1      LEU  36   1.581  -5.873  -1.027
  280   1HD2  LEU  36          1HD2      LEU  36   1.852  -3.328   2.376
  281   2HD2  LEU  36          2HD2      LEU  36   2.131  -5.053   2.617
  282   3HD2  LEU  36          3HD2      LEU  36   0.518  -4.471   2.202
  283    H    SER  37           H        SER  37   5.076  -2.161   0.264
  284    HA   SER  37           HA       SER  37   7.716  -2.878  -0.785
  285   1HB   SER  37          2HB       SER  37   6.521  -0.109  -1.091
  286   2HB   SER  37          1HB       SER  37   8.226  -0.486  -1.340
  287    HG   SER  37           HG       SER  37   6.806  -2.223  -2.758
  288    H    ALA  38           H        ALA  38   9.490  -2.137   0.442
  289    HA   ALA  38           HA       ALA  38   8.887  -1.413   3.202
  290   1HB   ALA  38          1HB       ALA  38  11.546  -2.015   1.892
  291   2HB   ALA  38          2HB       ALA  38  10.529  -3.188   2.725
  292   3HB   ALA  38          3HB       ALA  38  11.249  -1.852   3.623
  293    H    GLY  39           H        GLY  39  11.188   0.059   3.864
  294   1HA   GLY  39          2HA       GLY  39  10.271   2.667   3.473
  295   2HA   GLY  39          1HA       GLY  39  11.867   2.239   4.055
  296    H    GLU  40           H        GLU  40  13.430   1.541   2.242
  297    HA   GLU  40           HA       GLU  40  13.756   3.758   0.532
  298   1HB   GLU  40          2HB       GLU  40  15.700   2.649  -0.347
  299   2HB   GLU  40          1HB       GLU  40  15.625   2.352   1.381
  300   1HG   GLU  40          2HG       GLU  40  14.820   0.401  -0.776
  301   2HG   GLU  40          1HG       GLU  40  16.333   0.376   0.125
  302    H    GLN  41           H        GLN  41  12.481   0.524  -0.079
  303    HA   GLN  41           HA       GLN  41  12.283   0.641  -2.878
  304   1HB   GLN  41          2HB       GLN  41  11.965  -1.391  -1.436
  305   2HB   GLN  41          1HB       GLN  41  10.383  -0.767  -0.996
  306   1HG   GLN  41          2HG       GLN  41  10.013  -2.368  -2.680
  307   2HG   GLN  41          1HG       GLN  41   9.813  -0.794  -3.450
  308   1HE2  GLN  41          1HE2      GLN  41  11.828  -3.609  -3.177
  309   2HE2  GLN  41          2HE2      GLN  41  12.776  -3.306  -4.584
  310    H    ALA  42           H        ALA  42   9.924   1.571  -0.371
  311    HA   ALA  42           HA       ALA  42   7.802   2.222  -2.103
  312   1HB   ALA  42          1HB       ALA  42   6.852   3.429  -0.195
  313   2HB   ALA  42          2HB       ALA  42   8.399   3.320   0.645
  314   3HB   ALA  42          3HB       ALA  42   7.487   1.855   0.286
  315    H    GLN  43           H        GLN  43  10.406   4.238  -0.761
  316    HA   GLN  43           HA       GLN  43   9.525   6.723  -1.721
  317   1HB   GLN  43          2HB       GLN  43  11.304   6.494  -0.050
  318   2HB   GLN  43          1HB       GLN  43  12.355   5.749  -1.245
  319   1HG   GLN  43          2HG       GLN  43  12.953   8.080  -0.854
  320   2HG   GLN  43          1HG       GLN  43  12.426   7.822  -2.516
  321   1HE2  GLN  43          1HE2      GLN  43  10.461   8.715  -3.194
  322   2HE2  GLN  43          2HE2      GLN  43   9.644   9.935  -2.283
  323    H    GLU  44           H        GLU  44  11.760   4.379  -3.232
  324    HA   GLU  44           HA       GLU  44  12.120   5.952  -5.595
  325   1HB   GLU  44          2HB       GLU  44  12.816   3.088  -4.936
  326   2HB   GLU  44          1HB       GLU  44  13.201   3.839  -6.482
  327   1HG   GLU  44          2HG       GLU  44  14.532   5.539  -5.334
  328   2HG   GLU  44          1HG       GLU  44  14.146   4.798  -3.783
  329    H    THR  45           H        THR  45  10.112   3.085  -4.857
  330    HA   THR  45           HA       THR  45   8.990   2.746  -7.412
  331    HB   THR  45           HB       THR  45   7.628   2.267  -4.744
  332    HG1  THR  45           HG1      THR  45   9.041   0.699  -4.636
  333   1HG2  THR  45          1HG2      THR  45   6.006   2.322  -6.580
  334   2HG2  THR  45          2HG2      THR  45   6.221   0.670  -5.997
  335   3HG2  THR  45          3HG2      THR  45   6.990   1.181  -7.499
  336    H    ALA  46           H        ALA  46   7.966   4.845  -4.734
  337    HA   ALA  46           HA       ALA  46   5.642   5.908  -5.882
  338   1HB   ALA  46          1HB       ALA  46   6.265   6.243  -3.529
  339   2HB   ALA  46          2HB       ALA  46   5.910   7.773  -4.333
  340   3HB   ALA  46          3HB       ALA  46   7.584   7.301  -4.031
  341    H    ALA  47           H        ALA  47   9.026   6.980  -6.144
  342    HA   ALA  47           HA       ALA  47   8.656   9.276  -7.691
  343   1HB   ALA  47          1HB       ALA  47  10.970   7.338  -7.801
  344   2HB   ALA  47          2HB       ALA  47  10.787   8.659  -6.648
  345   3HB   ALA  47          3HB       ALA  47  10.984   9.010  -8.365
  346    H    LYS  48           H        LYS  48   8.717   5.894  -8.683
  347    HA   LYS  48           HA       LYS  48   8.705   6.494 -11.505
  348   1HB   LYS  48          2HB       LYS  48   8.419   3.969  -9.885
  349   2HB   LYS  48          1HB       LYS  48   8.224   3.977 -11.625
  350   1HG   LYS  48          2HG       LYS  48  10.496   4.709 -11.937
  351   2HG   LYS  48          1HG       LYS  48  10.706   4.898 -10.194
  352   1HD   LYS  48          2HD       LYS  48  10.505   2.527  -9.849
  353   2HD   LYS  48          1HD       LYS  48  10.067   2.269 -11.541
  354   1HE   LYS  48          2HE       LYS  48  12.421   1.680 -11.048
  355   2HE   LYS  48          1HE       LYS  48  12.270   2.946 -12.263
  356   1HZ   LYS  48          1HZ       LYS  48  14.007   3.412 -10.627
  357   2HZ   LYS  48          2HZ       LYS  48  12.862   3.415  -9.389
  358   3HZ   LYS  48          3HZ       LYS  48  12.797   4.592 -10.601
  359    H    TRP  49           H        TRP  49   6.367   4.843  -9.369
  360    HA   TRP  49           HA       TRP  49   4.348   4.788 -11.394
  361   1HB   TRP  49          2HB       TRP  49   4.270   4.059  -8.458
  362   2HB   TRP  49          1HB       TRP  49   2.948   3.768  -9.585
  363    HD1  TRP  49           HD1      TRP  49   6.744   3.038 -10.011
  364    HE1  TRP  49           HE1      TRP  49   7.015   0.561 -10.631
  365    HE3  TRP  49           HE3      TRP  49   1.844   1.609  -9.734
  366    HZ2  TRP  49           HZ2      TRP  49   5.361  -1.711 -10.949
  367    HZ3  TRP  49           HZ3      TRP  49   1.270  -0.738 -10.204
  368    HH2  TRP  49           HH2      TRP  49   2.995  -2.364 -10.800
  369    H    PHE  50           H        PHE  50   4.865   6.733  -8.488
  370    HA   PHE  50           HA       PHE  50   2.426   8.288  -9.121
  371   1HB   PHE  50          2HB       PHE  50   3.705   7.822  -6.411
  372   2HB   PHE  50          1HB       PHE  50   2.237   8.746  -6.718
  373    HD1  PHE  50           HD2      PHE  50   0.205   7.561  -7.599
  374    HD2  PHE  50           HD1      PHE  50   3.638   5.464  -6.187
  375    HE1  PHE  50           HE2      PHE  50  -1.137   5.511  -7.383
  376    HE2  PHE  50           HE1      PHE  50   2.300   3.412  -5.982
  377    HZ   PHE  50           HZ       PHE  50  -0.090   3.433  -6.578
  378    H    ARG  51           H        ARG  51   4.977   8.745 -10.241
  379    HA   ARG  51           HA       ARG  51   6.826  10.368  -9.252
  380   1HB   ARG  51          2HB       ARG  51   6.938  11.473 -11.537
  381   2HB   ARG  51          1HB       ARG  51   7.001   9.715 -11.508
  382   1HG   ARG  51          2HG       ARG  51   4.617   9.618 -12.084
  383   2HG   ARG  51          1HG       ARG  51   4.561  11.381 -12.121
  384   1HD   ARG  51          2HD       ARG  51   6.302   9.666 -13.897
  385   2HD   ARG  51          1HD       ARG  51   4.749  10.358 -14.369
  386    HE   ARG  51           HE       ARG  51   7.019  12.058 -13.566
  387   1HH1  ARG  51          1HH1      ARG  51   4.491  11.255 -15.749
  388   2HH1  ARG  51          2HH1      ARG  51   4.847  12.561 -16.824
  389   1HH2  ARG  51          1HH2      ARG  51   7.456  13.761 -14.940
  390   2HH2  ARG  51          2HH2      ARG  51   6.494  13.965 -16.364
  391    H    GLY  52           H        GLY  52   3.778  11.726 -10.493
  392   1HA   GLY  52          2HA       GLY  52   4.023  13.990  -8.686
  393   2HA   GLY  52          1HA       GLY  52   4.201  14.384 -10.388
  394    H    GLN  53           H        GLN  53   2.003  12.135  -8.713
  395    HA   GLN  53           HA       GLN  53  -0.249  13.243 -10.199
  396   1HB   GLN  53          2HB       GLN  53  -0.216  10.982  -8.190
  397   2HB   GLN  53          1HB       GLN  53  -1.539  11.390  -9.273
  398   1HG   GLN  53          2HG       GLN  53  -0.010  10.886 -11.190
  399   2HG   GLN  53          1HG       GLN  53   1.169  10.303 -10.013
  400   1HE2  GLN  53          1HE2      GLN  53   1.127   8.190 -10.767
  401   2HE2  GLN  53          2HE2      GLN  53  -0.233   7.155 -10.545
  402    H    ALA  54           H        ALA  54  -2.262  13.865  -9.086
  403    HA   ALA  54           HA       ALA  54  -1.670  15.523  -6.775
  404   1HB   ALA  54          1HB       ALA  54  -3.885  16.485  -7.125
  405   2HB   ALA  54          2HB       ALA  54  -4.233  15.265  -8.352
  406   3HB   ALA  54          3HB       ALA  54  -2.964  16.460  -8.631
  407    H    ASN  55           H        ASN  55  -2.115  15.061  -4.747
  408    HA   ASN  55           HA       ASN  55  -3.054  14.250  -2.860
  409   1HB   ASN  55          2HB       ASN  55  -5.321  13.408  -4.686
  410   2HB   ASN  55          1HB       ASN  55  -5.377  13.396  -2.925
  411   1HD2  ASN  55          1HD2      ASN  55  -7.101  14.840  -2.960
  412   2HD2  ASN  55          2HD2      ASN  55  -6.883  16.518  -3.297
  413    H    LEU  56           H        LEU  56  -1.360  12.758  -2.615
  414    HA   LEU  56           HA       LEU  56  -1.952   9.976  -3.421
  415   1HB   LEU  56          2HB       LEU  56   0.700  11.325  -2.888
  416   2HB   LEU  56          1HB       LEU  56   0.508   9.608  -3.200
  417    HG   LEU  56           HG       LEU  56  -0.228  11.807  -5.142
  418   1HD1  LEU  56          1HD1      LEU  56   1.734  11.080  -6.417
  419   2HD1  LEU  56          2HD1      LEU  56   2.156   9.951  -5.128
  420   3HD1  LEU  56          3HD1      LEU  56   2.187  11.689  -4.825
  421   1HD2  LEU  56          1HD2      LEU  56  -1.607   9.855  -5.458
  422   2HD2  LEU  56          2HD2      LEU  56  -0.192   8.801  -5.425
  423   3HD2  LEU  56          3HD2      LEU  56  -0.416   9.935  -6.754
  424    H    VAL  57           H        VAL  57  -2.224   8.481  -1.885
  425    HA   VAL  57           HA       VAL  57  -1.790   9.257   0.921
  426    HB   VAL  57           HB       VAL  57  -3.490   7.011  -0.199
  427   1HG1  VAL  57          1HG1      VAL  57  -4.418   6.860   2.078
  428   2HG1  VAL  57          2HG1      VAL  57  -3.255   8.069   2.624
  429   3HG1  VAL  57          3HG1      VAL  57  -2.691   6.502   2.045
  430   1HG2  VAL  57          1HG2      VAL  57  -4.304   9.710   0.898
  431   2HG2  VAL  57          2HG2      VAL  57  -5.410   8.414   0.438
  432   3HG2  VAL  57          3HG2      VAL  57  -4.407   9.192  -0.787
  433    H    LEU  58           H        LEU  58  -0.274   8.289   2.113
  434    HA   LEU  58           HA       LEU  58   1.104   5.911   1.079
  435   1HB   LEU  58          2HB       LEU  58   2.557   7.743   1.661
  436   2HB   LEU  58          1HB       LEU  58   1.815   7.899   3.240
  437    HG   LEU  58           HG       LEU  58   2.738   5.673   3.861
  438   1HD1  LEU  58          1HD1      LEU  58   4.486   4.676   2.454
  439   2HD1  LEU  58          2HD1      LEU  58   4.135   5.857   1.193
  440   3HD1  LEU  58          3HD1      LEU  58   2.912   4.674   1.660
  441   1HD2  LEU  58          1HD2      LEU  58   3.924   7.709   4.477
  442   2HD2  LEU  58          2HD2      LEU  58   4.775   7.700   2.932
  443   3HD2  LEU  58          3HD2      LEU  58   5.062   6.414   4.105
  444    H    LEU  59           H        LEU  59   0.012   4.110   1.664
  445    HA   LEU  59           HA       LEU  59  -1.337   3.847   4.185
  446   1HB   LEU  59          2HB       LEU  59  -0.680   1.768   2.090
  447   2HB   LEU  59          1HB       LEU  59  -1.713   1.499   3.482
  448    HG   LEU  59           HG       LEU  59  -2.259   3.376   1.179
  449   1HD1  LEU  59          1HD1      LEU  59  -3.633   0.827   2.033
  450   2HD1  LEU  59          2HD1      LEU  59  -2.583   1.020   0.629
  451   3HD1  LEU  59          3HD1      LEU  59  -4.124   1.874   0.699
  452   1HD2  LEU  59          1HD2      LEU  59  -3.894   2.840   3.661
  453   2HD2  LEU  59          2HD2      LEU  59  -4.439   3.759   2.258
  454   3HD2  LEU  59          3HD2      LEU  59  -3.097   4.355   3.234
  455    H    ALA  60           H        ALA  60  -0.194   3.715   5.995
  456    HA   ALA  60           HA       ALA  60   2.213   2.028   6.108
  457   1HB   ALA  60          1HB       ALA  60   1.125   3.991   8.135
  458   2HB   ALA  60          2HB       ALA  60   2.421   4.310   6.983
  459   3HB   ALA  60          3HB       ALA  60   2.651   3.111   8.256
  460    H    VAL  61           H        VAL  61   1.881  -0.029   6.681
  461    HA   VAL  61           HA       VAL  61  -0.113  -0.624   8.792
  462    HB   VAL  61           HB       VAL  61   0.573  -2.418   6.443
  463   1HG1  VAL  61          1HG1      VAL  61  -1.261  -3.832   7.251
  464   2HG1  VAL  61          2HG1      VAL  61  -1.492  -2.752   8.628
  465   3HG1  VAL  61          3HG1      VAL  61   0.007  -3.669   8.469
  466   1HG2  VAL  61          1HG2      VAL  61  -0.745  -0.499   5.710
  467   2HG2  VAL  61          2HG2      VAL  61  -1.940  -0.820   6.966
  468   3HG2  VAL  61          3HG2      VAL  61  -1.711  -1.974   5.652
  469    H    GLU  62           H        GLU  62   0.675  -1.764  10.525
  470    HA   GLU  62           HA       GLU  62   3.482  -2.563  10.402
  471   1HB   GLU  62          2HB       GLU  62   2.733  -1.177  12.289
  472   2HB   GLU  62          1HB       GLU  62   1.626  -2.450  12.788
  473   1HG   GLU  62          2HG       GLU  62   3.331  -3.840  13.502
  474   2HG   GLU  62          1HG       GLU  62   4.545  -3.035  12.511
  475    H    ALA  63           H        ALA  63   3.826  -4.518   9.575
  476    HA   ALA  63           HA       ALA  63   1.993  -6.731  10.061
  477   1HB   ALA  63          1HB       ALA  63   3.336  -7.961   8.458
  478   2HB   ALA  63          2HB       ALA  63   4.546  -6.677   8.448
  479   3HB   ALA  63          3HB       ALA  63   2.929  -6.371   7.812
  480    H    GLU  64           H        GLU  64   2.337  -6.978  12.347
  481    HA   GLU  64           HA       GLU  64   4.943  -7.737  13.315
  482   1HB   GLU  64          2HB       GLU  64   2.255  -7.814  14.695
  483   2HB   GLU  64          1HB       GLU  64   3.798  -8.140  15.476
  484   1HG   GLU  64          2HG       GLU  64   4.518  -5.827  14.794
  485   2HG   GLU  64          1HG       GLU  64   2.854  -5.538  14.289
  486    HA   PRO  65           HA       PRO  65   2.695 -12.152  13.585
  487   1HB   PRO  65          2HB       PRO  65   1.161 -12.507  11.269
  488   2HB   PRO  65          1HB       PRO  65   0.529 -12.263  12.899
  489   1HG   PRO  65          2HG       PRO  65   0.903 -10.280  10.693
  490   2HG   PRO  65          1HG       PRO  65  -0.413 -10.410  11.877
  491   1HD   PRO  65          2HD       PRO  65   1.495  -8.553  12.139
  492   2HD   PRO  65          1HD       PRO  65   0.841  -9.389  13.563
  493    H    LEU  66           H        LEU  66   2.764 -11.133  10.145
  494    HA   LEU  66           HA       LEU  66   4.210 -11.535   8.448
  495   1HB   LEU  66          2HB       LEU  66   5.670 -10.292  10.109
  496   2HB   LEU  66          1HB       LEU  66   6.312 -11.849  10.597
  497    HG   LEU  66           HG       LEU  66   7.204 -12.213   8.342
  498   1HD1  LEU  66          1HD1      LEU  66   5.518 -11.033   7.061
  499   2HD1  LEU  66          2HD1      LEU  66   7.122 -10.412   6.675
  500   3HD1  LEU  66          3HD1      LEU  66   6.050  -9.490   7.732
  501   1HD2  LEU  66          1HD2      LEU  66   8.605 -11.069   9.997
  502   2HD2  LEU  66          2HD2      LEU  66   7.972  -9.512   9.464
  503   3HD2  LEU  66          3HD2      LEU  66   8.940 -10.494   8.364
  504    H    GLY  67           H        GLY  67   2.907 -13.845   9.846
  505   1HA   GLY  67          2HA       GLY  67   4.843 -16.017   9.466
  506   2HA   GLY  67          1HA       GLY  67   3.254 -16.157  10.203
  507    H    GLU  68           H        GLU  68   1.392 -16.189   8.828
  508    HA   GLU  68           HA       GLU  68   1.975 -17.276   6.155
  509   1HB   GLU  68          2HB       GLU  68  -0.604 -17.437   7.739
  510   2HB   GLU  68          1HB       GLU  68  -0.216 -18.320   6.269
  511   1HG   GLU  68          2HG       GLU  68   1.195 -18.648   8.915
  512   2HG   GLU  68          1HG       GLU  68  -0.071 -19.707   8.300
  513    H    ASP  69           H        ASP  69   1.378 -14.363   7.346
  514    HA   ASP  69           HA       ASP  69  -0.713 -13.549   5.478
  515   1HB   ASP  69          2HB       ASP  69  -0.394 -11.297   6.647
  516   2HB   ASP  69          1HB       ASP  69  -1.022 -12.616   7.628
  517    H    LEU  70           H        LEU  70   2.523 -12.281   6.344
  518    HA   LEU  70           HA       LEU  70   2.785 -11.294   3.576
  519   1HB   LEU  70          2HB       LEU  70   2.814  -9.592   5.385
  520   2HB   LEU  70          1HB       LEU  70   4.237 -10.362   6.057
  521    HG   LEU  70           HG       LEU  70   5.479  -9.837   3.962
  522   1HD1  LEU  70          1HD1      LEU  70   3.540  -9.741   2.446
  523   2HD1  LEU  70          2HD1      LEU  70   4.547  -8.298   2.339
  524   3HD1  LEU  70          3HD1      LEU  70   3.022  -8.243   3.224
  525   1HD2  LEU  70          1HD2      LEU  70   5.671  -8.349   5.867
  526   2HD2  LEU  70          2HD2      LEU  70   4.220  -7.478   5.366
  527   3HD2  LEU  70          3HD2      LEU  70   5.675  -7.417   4.370
  528    H    LYS  71           H        LYS  71   4.747 -11.579   2.452
  529    HA   LYS  71           HA       LYS  71   6.597 -13.597   3.536
  530   1HB   LYS  71          2HB       LYS  71   4.913 -14.802   2.301
  531   2HB   LYS  71          1HB       LYS  71   5.086 -13.734   0.923
  532   1HG   LYS  71          2HG       LYS  71   7.084 -14.719   0.246
  533   2HG   LYS  71          1HG       LYS  71   7.399 -15.412   1.842
  534   1HD   LYS  71          2HD       LYS  71   5.744 -17.078   1.567
  535   2HD   LYS  71          1HD       LYS  71   5.007 -16.237   0.205
  536   1HE   LYS  71          2HE       LYS  71   7.816 -17.291   0.043
  537   2HE   LYS  71          1HE       LYS  71   6.427 -18.337  -0.262
  538   1HZ   LYS  71          1HZ       LYS  71   5.712 -16.681  -1.958
  539   2HZ   LYS  71          2HZ       LYS  71   7.158 -17.467  -2.330
  540   3HZ   LYS  71          3HZ       LYS  71   7.189 -15.883  -1.750
  541    H    TRP  72           H        TRP  72   8.396 -12.324   3.649
  542    HA   TRP  72           HA       TRP  72   9.207 -10.480   1.623
  543   1HB   TRP  72          2HB       TRP  72  10.742 -11.747   3.907
  544   2HB   TRP  72          1HB       TRP  72  11.417 -10.517   2.844
  545    HD1  TRP  72           HD1      TRP  72   8.930 -10.954   5.716
  546    HE1  TRP  72           HE1      TRP  72   8.332  -8.630   6.648
  547    HE3  TRP  72           HE3      TRP  72  11.201  -8.044   2.171
  548    HZ2  TRP  72           HZ2      TRP  72   8.759  -5.921   5.966
  549    HZ3  TRP  72           HZ3      TRP  72  11.057  -5.596   2.384
  550    HH2  TRP  72           HH2      TRP  72   9.859  -4.557   4.243
  551    H    GLU  73           H        GLU  73  10.133 -10.911  -0.295
  552    HA   GLU  73           HA       GLU  73  11.812 -13.231  -0.711
  553   1HB   GLU  73          2HB       GLU  73   9.579 -14.215  -0.722
  554   2HB   GLU  73          1HB       GLU  73   9.049 -13.057  -1.929
  555   1HG   GLU  73          2HG       GLU  73  10.469 -14.057  -3.592
  556   2HG   GLU  73          1HG       GLU  73  11.181 -15.136  -2.386
  557    H    ALA  74           H        ALA  74  13.002 -13.131  -2.641
  558    HA   ALA  74           HA       ALA  74  12.445 -10.987  -4.545
  559   1HB   ALA  74          1HB       ALA  74  14.639  -9.949  -4.301
  560   2HB   ALA  74          2HB       ALA  74  15.034 -11.059  -2.988
  561   3HB   ALA  74          3HB       ALA  74  13.742  -9.876  -2.783
  562    H    SER  75           H        SER  75  13.747 -11.075  -6.473
  563    HA   SER  75           HA       SER  75  15.617 -13.255  -6.859
  564   1HB   SER  75          2HB       SER  75  12.972 -13.188  -8.325
  565   2HB   SER  75          1HB       SER  75  14.373 -14.059  -8.942
  566    HG   SER  75           HG       SER  75  13.549 -14.533  -6.300
  567    H    ARG  76           H        ARG  76  17.234 -12.547  -8.084
  568    HA   ARG  76           HA       ARG  76  18.449 -11.511  -9.693
  569   1HB   ARG  76          2HB       ARG  76  15.715 -11.133 -10.887
  570   2HB   ARG  76          1HB       ARG  76  17.123 -10.386 -11.628
  571   1HG   ARG  76          2HG       ARG  76  16.583 -12.499 -12.704
  572   2HG   ARG  76          1HG       ARG  76  18.157 -12.581 -11.915
  573   1HD   ARG  76          2HD       ARG  76  17.133 -13.765 -10.020
  574   2HD   ARG  76          1HD       ARG  76  15.563 -13.687 -10.820
  575    HE   ARG  76           HE       ARG  76  16.628 -15.059 -12.621
  576   1HH1  ARG  76          1HH1      ARG  76  17.836 -15.165  -9.393
  577   2HH1  ARG  76          2HH1      ARG  76  18.489 -16.753  -9.576
  578   1HH2  ARG  76          1HH2      ARG  76  17.450 -17.087 -12.839
  579   2HH2  ARG  76          2HH2      ARG  76  18.287 -17.833 -11.518
  580    H    GLY  77           H        GLY  77  15.629  -9.348  -9.141
  581   1HA   GLY  77          2HA       GLY  77  17.040  -6.952  -9.483
  582   2HA   GLY  77          1HA       GLY  77  15.524  -7.116  -8.621
  583    H    GLY  78           H        GLY  78  17.172  -9.093  -6.796
  584   1HA   GLY  78          2HA       GLY  78  18.550  -8.954  -4.935
  585   2HA   GLY  78          1HA       GLY  78  19.005  -7.333  -5.428
  586    H    ALA  79           H        ALA  79  16.537  -6.061  -5.432
  587    HA   ALA  79           HA       ALA  79  16.197  -5.372  -2.738
  588   1HB   ALA  79          1HB       ALA  79  14.304  -4.896  -5.039
  589   2HB   ALA  79          2HB       ALA  79  15.665  -3.869  -4.585
  590   3HB   ALA  79          3HB       ALA  79  14.292  -4.048  -3.492
  591    H    ARG  80           H        ARG  80  14.819  -6.012  -1.150
  592    HA   ARG  80           HA       ARG  80  13.515  -8.571  -1.455
  593   1HB   ARG  80          2HB       ARG  80  13.576  -6.707   0.931
  594   2HB   ARG  80          1HB       ARG  80  13.108  -8.403   0.947
  595   1HG   ARG  80          2HG       ARG  80  15.372  -9.069   0.376
  596   2HG   ARG  80          1HG       ARG  80  15.857  -7.378   0.237
  597   1HD   ARG  80          2HD       ARG  80  15.300  -7.058   2.633
  598   2HD   ARG  80          1HD       ARG  80  14.920  -8.777   2.748
  599    HE   ARG  80           HE       ARG  80  17.400  -8.935   1.877
  600   1HH1  ARG  80          1HH1      ARG  80  16.128  -6.734   4.194
  601   2HH1  ARG  80          2HH1      ARG  80  17.590  -6.669   5.108
  602   1HH2  ARG  80          1HH2      ARG  80  19.291  -8.819   3.026
  603   2HH2  ARG  80          2HH2      ARG  80  19.375  -7.838   4.449
  604    H    PHE  81           H        PHE  81  11.522  -8.704  -2.338
  605    HA   PHE  81           HA       PHE  81   9.704  -6.418  -2.131
  606   1HB   PHE  81          2HB       PHE  81   9.555  -8.909  -3.849
  607   2HB   PHE  81          1HB       PHE  81   8.389  -7.590  -3.886
  608    HD1  PHE  81           HD2      PHE  81   9.343  -5.228  -4.389
  609    HD2  PHE  81           HD1      PHE  81  11.385  -8.860  -5.289
  610    HE1  PHE  81           HE2      PHE  81  10.721  -4.042  -6.044
  611    HE2  PHE  81           HE1      PHE  81  12.759  -7.676  -6.949
  612    HZ   PHE  81           HZ       PHE  81  12.429  -5.266  -7.330
  613    HA   PRO  82           HA       PRO  82   7.407  -8.669   1.077
  614   1HB   PRO  82          2HB       PRO  82   5.597  -6.337   0.891
  615   2HB   PRO  82          1HB       PRO  82   6.489  -6.956   2.286
  616   1HG   PRO  82          2HG       PRO  82   7.189  -4.664   1.065
  617   2HG   PRO  82          1HG       PRO  82   8.398  -5.758   1.760
  618   1HD   PRO  82          2HD       PRO  82   7.583  -5.414  -1.108
  619   2HD   PRO  82          1HD       PRO  82   9.208  -5.616  -0.416
  620    H    HIS  83           H        HIS  83   6.480 -10.364  -0.039
  621    HA   HIS  83           HA       HIS  83   4.304  -9.867  -1.926
  622   1HB   HIS  83          2HB       HIS  83   5.643 -12.447  -1.061
  623   2HB   HIS  83          1HB       HIS  83   4.398 -12.328  -2.298
  624    HD1  HIS  83           HD1      HIS  83   7.101 -13.486  -3.068
  625    HD2  HIS  83           HD2      HIS  83   6.176  -9.448  -3.396
  626    HE1  HIS  83           HE1      HIS  83   8.666 -12.581  -4.799
  627    HE2  HIS  83           HE2      HIS  83   7.909 -10.213  -5.157
  628    H    LEU  84           H        LEU  84   2.281  -9.645  -1.181
  629    HA   LEU  84           HA       LEU  84   1.493 -11.013   1.316
  630   1HB   LEU  84          2HB       LEU  84   1.267  -8.551   1.256
  631   2HB   LEU  84          1HB       LEU  84   0.194  -8.689  -0.123
  632    HG   LEU  84           HG       LEU  84  -1.437  -9.913   1.304
  633   1HD1  LEU  84          1HD1      LEU  84  -1.155  -9.898   3.737
  634   2HD1  LEU  84          2HD1      LEU  84   0.463  -9.219   3.548
  635   3HD1  LEU  84          3HD1      LEU  84   0.108 -10.839   2.945
  636   1HD2  LEU  84          1HD2      LEU  84  -2.187  -7.958   2.577
  637   2HD2  LEU  84          2HD2      LEU  84  -1.659  -7.504   0.956
  638   3HD2  LEU  84          3HD2      LEU  84  -0.613  -7.195   2.342
  639    H    TYR  85           H        TYR  85  -0.047 -12.588   1.278
  640    HA   TYR  85           HA       TYR  85  -1.240 -13.224  -1.356
  641   1HB   TYR  85          2HB       TYR  85  -0.516 -15.048   0.955
  642   2HB   TYR  85          1HB       TYR  85  -1.336 -15.578  -0.509
  643    HD1  TYR  85           HD1      TYR  85   1.841 -14.161   0.789
  644    HD2  TYR  85           HD2      TYR  85  -0.104 -16.054  -2.495
  645    HE1  TYR  85           HE1      TYR  85   4.018 -14.515  -0.296
  646    HE2  TYR  85           HE2      TYR  85   2.073 -16.410  -3.582
  647    HH   TYR  85           HH       TYR  85   4.309 -15.553  -3.563
  648    H    ARG  86           H        ARG  86  -2.526 -11.366   0.433
  649    HA   ARG  86           HA       ARG  86  -5.152 -12.477   0.416
  650   1HB   ARG  86          2HB       ARG  86  -5.629 -12.348   2.827
  651   2HB   ARG  86          1HB       ARG  86  -4.387 -13.543   2.481
  652   1HG   ARG  86          2HG       ARG  86  -2.668 -11.853   3.137
  653   2HG   ARG  86          1HG       ARG  86  -3.982 -10.784   3.632
  654   1HD   ARG  86          2HD       ARG  86  -3.136 -11.949   5.569
  655   2HD   ARG  86          1HD       ARG  86  -4.761 -12.532   5.211
  656    HE   ARG  86           HE       ARG  86  -2.714 -14.125   4.003
  657   1HH1  ARG  86          1HH1      ARG  86  -4.486 -13.631   6.921
  658   2HH1  ARG  86          2HH1      ARG  86  -4.213 -15.247   7.472
  659   1HH2  ARG  86          1HH2      ARG  86  -2.371 -16.166   4.737
  660   2HH2  ARG  86          2HH2      ARG  86  -3.032 -16.653   6.262
  661    HA   PRO  87           HA       PRO  87  -5.941  -8.136  -0.187
  662   1HB   PRO  87          2HB       PRO  87  -8.699  -8.672   0.766
  663   2HB   PRO  87          1HB       PRO  87  -8.147  -8.048  -0.792
  664   1HG   PRO  87          2HG       PRO  87  -9.088 -10.538  -0.562
  665   2HG   PRO  87          1HG       PRO  87  -7.737 -10.161  -1.646
  666   1HD   PRO  87          2HD       PRO  87  -7.682 -11.428   1.077
  667   2HD   PRO  87          1HD       PRO  87  -6.756 -11.846  -0.382
  668    H    LEU  88           H        LEU  88  -6.199  -6.196   0.975
  669    HA   LEU  88           HA       LEU  88  -6.216  -6.571   3.913
  670   1HB   LEU  88          2HB       LEU  88  -4.155  -5.663   2.639
  671   2HB   LEU  88          1HB       LEU  88  -5.066  -4.175   2.497
  672    HG   LEU  88           HG       LEU  88  -4.466  -5.446   5.176
  673   1HD1  LEU  88          1HD1      LEU  88  -2.339  -5.022   4.073
  674   2HD1  LEU  88          2HD1      LEU  88  -2.600  -3.876   5.387
  675   3HD1  LEU  88          3HD1      LEU  88  -2.836  -3.368   3.714
  676   1HD2  LEU  88          1HD2      LEU  88  -4.832  -3.167   6.017
  677   2HD2  LEU  88          2HD2      LEU  88  -6.257  -3.797   5.197
  678   3HD2  LEU  88          3HD2      LEU  88  -5.218  -2.628   4.382
  679    H    LEU  89           H        LEU  89  -7.977  -5.904   4.937
  680    HA   LEU  89           HA       LEU  89  -9.986  -4.266   3.747
  681   1HB   LEU  89          2HB       LEU  89  -9.640  -5.056   6.644
  682   2HB   LEU  89          1HB       LEU  89 -11.109  -4.440   5.908
  683    HG   LEU  89           HG       LEU  89  -9.788  -7.088   5.274
  684   1HD1  LEU  89          1HD1      LEU  89 -11.783  -8.070   6.306
  685   2HD1  LEU  89          2HD1      LEU  89 -12.345  -6.456   6.747
  686   3HD1  LEU  89          3HD1      LEU  89 -10.859  -7.097   7.450
  687   1HD2  LEU  89          1HD2      LEU  89 -11.781  -7.536   3.910
  688   2HD2  LEU  89          2HD2      LEU  89 -10.856  -6.169   3.292
  689   3HD2  LEU  89          3HD2      LEU  89 -12.344  -5.888   4.197
  690    H    VAL  90           H        VAL  90 -10.450  -2.085   4.046
  691    HA   VAL  90           HA       VAL  90  -8.270  -0.390   4.398
  692    HB   VAL  90           HB       VAL  90  -9.858   1.436   4.213
  693   1HG1  VAL  90          1HG1      VAL  90  -9.197   0.287   2.193
  694   2HG1  VAL  90          2HG1      VAL  90 -10.879   0.804   2.064
  695   3HG1  VAL  90          3HG1      VAL  90 -10.498  -0.884   2.408
  696   1HG2  VAL  90          1HG2      VAL  90 -11.995  -0.665   4.566
  697   2HG2  VAL  90          2HG2      VAL  90 -12.289   0.999   4.064
  698   3HG2  VAL  90          3HG2      VAL  90 -11.637   0.666   5.668
  699    H    SER  91           H        SER  91 -10.771  -1.345   6.700
  700    HA   SER  91           HA       SER  91 -10.113   0.637   8.666
  701   1HB   SER  91          2HB       SER  91 -12.328  -0.492   8.547
  702   2HB   SER  91          1HB       SER  91 -11.565  -1.997   9.054
  703    HG   SER  91           HG       SER  91 -10.841  -0.225  10.836
  704    H    GLU  92           H        GLU  92  -8.351  -1.984   7.628
  705    HA   GLU  92           HA       GLU  92  -7.253  -2.616  10.281
  706   1HB   GLU  92          2HB       GLU  92  -7.897  -4.426   8.623
  707   2HB   GLU  92          1HB       GLU  92  -6.530  -3.912   7.646
  708   1HG   GLU  92          2HG       GLU  92  -5.910  -5.835   8.955
  709   2HG   GLU  92          1HG       GLU  92  -5.019  -4.425   9.528
  710    H    VAL  93           H        VAL  93  -6.590  -0.562   7.671
  711    HA   VAL  93           HA       VAL  93  -3.747  -0.635   7.625
  712    HB   VAL  93           HB       VAL  93  -5.587   1.664   6.902
  713   1HG1  VAL  93          1HG1      VAL  93  -2.710   1.156   6.118
  714   2HG1  VAL  93          2HG1      VAL  93  -3.271   2.392   7.245
  715   3HG1  VAL  93          3HG1      VAL  93  -3.721   2.482   5.543
  716   1HG2  VAL  93          1HG2      VAL  93  -6.130  -0.329   5.618
  717   2HG2  VAL  93          2HG2      VAL  93  -4.433  -0.546   5.188
  718   3HG2  VAL  93          3HG2      VAL  93  -5.323   0.849   4.580
  719    H    THR  94           H        THR  94  -2.290   0.136   9.056
  720    HA   THR  94           HA       THR  94  -3.029   1.125  11.574
  721    HB   THR  94           HB       THR  94  -0.305   1.374  10.266
  722    HG1  THR  94           HG1      THR  94  -1.526  -0.728  11.764
  723   1HG2  THR  94          1HG2      THR  94  -0.517   2.759  12.285
  724   2HG2  THR  94          2HG2      THR  94   0.552   1.386  12.572
  725   3HG2  THR  94          3HG2      THR  94  -1.098   1.356  13.189
  726    H    ARG  95           H        ARG  95  -1.855   2.858   8.694
  727    HA   ARG  95           HA       ARG  95  -3.334   5.188   9.504
  728   1HB   ARG  95          2HB       ARG  95  -1.361   5.689  10.770
  729   2HB   ARG  95          1HB       ARG  95  -0.320   5.326   9.401
  730   1HG   ARG  95          2HG       ARG  95  -1.109   7.270   8.214
  731   2HG   ARG  95          1HG       ARG  95  -2.310   7.596   9.462
  732   1HD   ARG  95          2HD       ARG  95  -0.567   8.094  11.067
  733   2HD   ARG  95          1HD       ARG  95   0.678   7.618   9.913
  734    HE   ARG  95           HE       ARG  95   0.435   9.636   8.835
  735   1HH1  ARG  95          1HH1      ARG  95  -2.093   9.289  11.174
  736   2HH1  ARG  95          2HH1      ARG  95  -2.614  10.928  10.990
  737   1HH2  ARG  95          1HH2      ARG  95  -0.266  11.724   8.616
  738   2HH2  ARG  95          2HH2      ARG  95  -1.605  12.280   9.564
  739    H    GLU  96           H        GLU  96  -3.861   6.508   7.853
  740    HA   GLU  96           HA       GLU  96  -2.849   5.838   5.164
  741   1HB   GLU  96          2HB       GLU  96  -4.933   6.973   4.344
  742   2HB   GLU  96          1HB       GLU  96  -5.230   5.528   5.302
  743   1HG   GLU  96          2HG       GLU  96  -5.793   6.892   7.235
  744   2HG   GLU  96          1HG       GLU  96  -5.411   8.359   6.336
  745    H    ALA  97           H        ALA  97  -0.947   7.141   5.333
  746    HA   ALA  97           HA       ALA  97  -1.108   9.885   6.161
  747   1HB   ALA  97          1HB       ALA  97   0.899   8.571   6.580
  748   2HB   ALA  97          2HB       ALA  97   1.273   9.999   5.616
  749   3HB   ALA  97          3HB       ALA  97   1.175   8.415   4.848
  750    H    ASP  98           H        ASP  98  -2.683  10.723   4.717
  751    HA   ASP  98           HA       ASP  98  -2.301  10.922   1.904
  752   1HB   ASP  98          2HB       ASP  98  -4.489  11.198   3.050
  753   2HB   ASP  98          1HB       ASP  98  -3.914  12.699   3.763
  754    H    LEU  99           H        LEU  99  -0.453  11.844   1.142
  755    HA   LEU  99           HA       LEU  99   0.476  14.352   2.398
  756   1HB   LEU  99          2HB       LEU  99   2.771  13.656   1.645
  757   2HB   LEU  99          1HB       LEU  99   2.057  12.680   2.912
  758    HG   LEU  99           HG       LEU  99   1.394  11.032   1.048
  759   1HD1  LEU  99          1HD1      LEU  99   3.489  12.591  -0.465
  760   2HD1  LEU  99          2HD1      LEU  99   1.775  12.492  -0.872
  761   3HD1  LEU  99          3HD1      LEU  99   2.784  11.049  -0.958
  762   1HD2  LEU  99          1HD2      LEU  99   4.302  11.456   1.728
  763   2HD2  LEU  99          2HD2      LEU  99   3.605   9.966   1.092
  764   3HD2  LEU  99          3HD2      LEU  99   3.124  10.556   2.682
  765    H    ASP 100           H        ASP 100   1.888  15.704   0.951
  766    HA   ASP 100           HA       ASP 100   0.936  15.667  -1.848
  767   1HB   ASP 100          2HB       ASP 100   1.607  18.143  -0.234
  768   2HB   ASP 100          1HB       ASP 100   0.904  18.083  -1.848
  769    H    LEU 101           H        LEU 101   2.490  17.217  -3.204
  770    HA   LEU 101           HA       LEU 101   5.274  17.149  -2.405
  771   1HB   LEU 101          2HB       LEU 101   6.074  15.706  -4.153
  772   2HB   LEU 101          1HB       LEU 101   4.881  14.829  -3.212
  773    HG   LEU 101           HG       LEU 101   3.863  16.227  -5.636
  774   1HD1  LEU 101          1HD1      LEU 101   5.956  15.340  -6.489
  775   2HD1  LEU 101          2HD1      LEU 101   4.584  14.434  -7.132
  776   3HD1  LEU 101          3HD1      LEU 101   5.564  13.751  -5.839
  777   1HD2  LEU 101          1HD2      LEU 101   2.513  14.193  -5.832
  778   2HD2  LEU 101          2HD2      LEU 101   2.370  14.913  -4.227
  779   3HD2  LEU 101          3HD2      LEU 101   3.378  13.484  -4.466
  780    H    ASP 102           H        ASP 102   6.704  17.810  -4.389
  781    HA   ASP 102           HA       ASP 102   5.206  19.654  -6.141
  782   1HB   ASP 102          2HB       ASP 102   7.338  20.870  -6.455
  783   2HB   ASP 102          1HB       ASP 102   6.781  20.879  -4.790
  784    H    ALA 103           H        ALA 103   6.370  20.116  -8.223
  785    HA   ALA 103           HA       ALA 103   6.237  17.820  -9.821
  786   1HB   ALA 103          1HB       ALA 103   5.828  20.084 -10.672
  787   2HB   ALA 103          2HB       ALA 103   7.030  19.237 -11.645
  788   3HB   ALA 103          3HB       ALA 103   7.540  20.465 -10.486
  789    H    ASP 104           H        ASP 104   7.619  16.241  -9.009
  790    HA   ASP 104           HA       ASP 104   9.388  14.896  -9.635
  791   1HB   ASP 104          2HB       ASP 104  10.056  16.526 -11.427
  792   2HB   ASP 104          1HB       ASP 104  11.007  17.384 -10.223
  793    H    GLY 105           H        GLY 105   9.172  17.381  -7.377
  794   1HA   GLY 105          2HA       GLY 105  11.171  16.659  -5.555
  795   2HA   GLY 105          1HA       GLY 105   9.565  17.229  -5.118
  796    H    VAL 106           H        VAL 106   7.992  15.240  -6.214
  797    HA   VAL 106           HA       VAL 106   7.261  13.097  -6.123
  798    HB   VAL 106           HB       VAL 106  10.187  12.864  -6.165
  799   1HG1  VAL 106          1HG1      VAL 106   8.546  10.451  -5.357
  800   2HG1  VAL 106          2HG1      VAL 106   9.737  11.271  -4.346
  801   3HG1  VAL 106          3HG1      VAL 106  10.250  10.434  -5.811
  802   1HG2  VAL 106          1HG2      VAL 106   8.898  12.905  -8.195
  803   2HG2  VAL 106          2HG2      VAL 106   7.972  11.495  -7.678
  804   3HG2  VAL 106          3HG2      VAL 106   9.694  11.339  -8.032
  805    HA   PRO 107           HA       PRO 107   5.626  12.498  -2.116
  806   1HB   PRO 107          2HB       PRO 107   6.404   9.617  -2.514
  807   2HB   PRO 107          1HB       PRO 107   4.903  10.293  -1.863
  808   1HG   PRO 107          2HG       PRO 107   5.048   9.460  -4.402
  809   2HG   PRO 107          1HG       PRO 107   4.107  10.893  -3.956
  810   1HD   PRO 107          2HD       PRO 107   6.660  10.711  -5.436
  811   2HD   PRO 107          1HD       PRO 107   5.452  12.005  -5.428
  812    H    GLN 108           H        GLN 108   6.997  13.506  -0.701
  813    HA   GLN 108           HA       GLN 108   9.651  12.620  -0.174
  814   1HB   GLN 108          2HB       GLN 108   7.928  14.630   1.302
  815   2HB   GLN 108          1HB       GLN 108   9.635  14.365   1.618
  816   1HG   GLN 108          2HG       GLN 108   9.440  16.310   0.259
  817   2HG   GLN 108          1HG       GLN 108  10.111  15.028  -0.742
  818   1HE2  GLN 108          1HE2      GLN 108   9.463  16.034  -2.630
  819   2HE2  GLN 108          2HE2      GLN 108   7.814  16.073  -3.131
  820    H    LEU 109           H        LEU 109   9.257  10.397   0.429
  821    HA   LEU 109           HA       LEU 109   7.885   9.821   2.898
  822   1HB   LEU 109          2HB       LEU 109   9.276   8.223   0.815
  823   2HB   LEU 109          1HB       LEU 109   9.188   7.518   2.417
  824    HG   LEU 109           HG       LEU 109   6.767   7.605   2.383
  825   1HD1  LEU 109          1HD1      LEU 109   7.044   8.881  -0.338
  826   2HD1  LEU 109          2HD1      LEU 109   6.427   9.647   1.127
  827   3HD1  LEU 109          3HD1      LEU 109   5.535   8.319   0.385
  828   1HD2  LEU 109          1HD2      LEU 109   7.784   5.628   1.454
  829   2HD2  LEU 109          2HD2      LEU 109   7.937   6.400  -0.124
  830   3HD2  LEU 109          3HD2      LEU 109   6.340   6.030   0.526
  831    H    GLY 110           H        GLY 110  11.148  10.596   2.026
  832   1HA   GLY 110          2HA       GLY 110  12.689   9.404   3.961
  833   2HA   GLY 110          1HA       GLY 110  12.978  11.026   3.362
  834    H    ASP 111           H        ASP 111  10.712  12.334   4.408
  835    HA   ASP 111           HA       ASP 111  11.487  12.672   7.160
  836   1HB   ASP 111          2HB       ASP 111   9.257  13.931   5.549
  837   2HB   ASP 111          1HB       ASP 111   9.727  14.428   7.173
  838    H    HIS 112           H        HIS 112   9.249  10.645   5.607
  839    HA   HIS 112           HA       HIS 112   7.499  10.398   7.951
  840   1HB   HIS 112          2HB       HIS 112   7.310   8.966   5.284
  841   2HB   HIS 112          1HB       HIS 112   6.087   8.987   6.548
  842    HD1  HIS 112           HD1      HIS 112   5.804  11.945   7.132
  843    HD2  HIS 112           HD2      HIS 112   6.229  10.428   3.287
  844    HE1  HIS 112           HE1      HIS 112   4.831  13.687   5.613
  845    HE2  HIS 112           HE2      HIS 112   5.281  12.836   3.288
  846    H    LEU 113           H        LEU 113  10.331   8.994   6.724
  847    HA   LEU 113           HA       LEU 113   9.772   6.381   7.982
  848   1HB   LEU 113          2HB       LEU 113  11.953   6.999   5.996
  849   2HB   LEU 113          1HB       LEU 113  11.450   5.421   6.558
  850    HG   LEU 113           HG       LEU 113   9.790   7.270   4.832
  851   1HD1  LEU 113          1HD1      LEU 113  11.272   4.735   4.134
  852   2HD1  LEU 113          2HD1      LEU 113  11.677   6.369   3.604
  853   3HD1  LEU 113          3HD1      LEU 113  10.179   5.614   3.064
  854   1HD2  LEU 113          1HD2      LEU 113   9.251   4.447   5.762
  855   2HD2  LEU 113          2HD2      LEU 113   8.280   5.347   4.597
  856   3HD2  LEU 113          3HD2      LEU 113   8.386   5.898   6.269
  857    H    ALA 114           H        ALA 114  11.511   5.305   9.064
  858    HA   ALA 114           HA       ALA 114  13.357   4.993  10.336
  859   1HB   ALA 114          1HB       ALA 114  14.432   7.488   9.038
  860   2HB   ALA 114          2HB       ALA 114  14.547   5.860   8.372
  861   3HB   ALA 114          3HB       ALA 114  15.368   6.254   9.883
  862    H    LEU 115           H        LEU 115  13.176   8.584  10.365
  863    HA   LEU 115           HA       LEU 115  13.831   8.518  13.205
  864   1HB   LEU 115          2HB       LEU 115  15.034  10.024  11.670
  865   2HB   LEU 115          1HB       LEU 115  13.532  10.853  11.310
  866    HG   LEU 115           HG       LEU 115  13.391  11.566  13.691
  867   1HD1  LEU 115          1HD1      LEU 115  15.387  11.364  15.108
  868   2HD1  LEU 115          2HD1      LEU 115  16.141  10.337  13.886
  869   3HD1  LEU 115          3HD1      LEU 115  14.686   9.791  14.721
  870   1HD2  LEU 115          1HD2      LEU 115  15.174  13.249  13.554
  871   2HD2  LEU 115          2HD2      LEU 115  14.321  13.064  12.022
  872   3HD2  LEU 115          3HD2      LEU 115  15.918  12.345  12.234
  873    H    GLU 116           H        GLU 116  12.657   9.592  14.842
  874    HA   GLU 116           HA       GLU 116   9.788   9.637  14.522
  875   1HB   GLU 116          2HB       GLU 116  11.478  10.489  16.888
  876   2HB   GLU 116          1HB       GLU 116   9.737  10.261  16.901
  877   1HG   GLU 116          2HG       GLU 116  10.671   8.356  17.924
  878   2HG   GLU 116          1HG       GLU 116  10.151   7.850  16.318
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1   8.751  -2.667  12.671
    2   2H    MET   1          2H        MET   1  10.082  -3.018  13.652
    3   3H    MET   1          3H        MET   1   8.988  -4.238  13.242
    4    HA   MET   1           HA       MET   1  10.841  -2.819  11.414
    5   1HB   MET   1          2HB       MET   1  10.695  -5.768  12.094
    6   2HB   MET   1          1HB       MET   1  11.935  -4.957  11.148
    7   1HG   MET   1          2HG       MET   1  11.425  -4.688  14.102
    8   2HG   MET   1          1HG       MET   1  12.814  -5.434  13.315
    9   1HE   MET   1          1HE       MET   1  13.004  -3.219  15.638
   10   2HE   MET   1          2HE       MET   1  14.319  -2.223  15.014
   11   3HE   MET   1          3HE       MET   1  14.412  -3.979  14.890
   12    H    THR   2           H        THR   2   8.023  -4.870  11.756
   13    HA   THR   2           HA       THR   2   7.861  -5.637   8.983
   14    HB   THR   2           HB       THR   2   5.640  -6.574   9.654
   15    HG1  THR   2           HG1      THR   2   5.643  -6.489  12.221
   16   1HG2  THR   2          1HG2      THR   2   7.941  -7.279  11.493
   17   2HG2  THR   2          2HG2      THR   2   7.679  -7.928   9.874
   18   3HG2  THR   2          3HG2      THR   2   6.535  -8.293  11.165
   19    H    LEU   3           H        LEU   3   7.808  -2.695   9.489
   20    HA   LEU   3           HA       LEU   3   5.080  -1.855   8.979
   21   1HB   LEU   3          2HB       LEU   3   7.663  -0.284   9.017
   22   2HB   LEU   3          1HB       LEU   3   6.067   0.421   8.828
   23    HG   LEU   3           HG       LEU   3   7.050  -1.066  11.270
   24   1HD1  LEU   3          1HD1      LEU   3   6.944   1.130  12.370
   25   2HD1  LEU   3          2HD1      LEU   3   6.562   1.877  10.818
   26   3HD1  LEU   3          3HD1      LEU   3   8.125   1.097  11.061
   27   1HD2  LEU   3          1HD2      LEU   3   4.958  -0.329  12.309
   28   2HD2  LEU   3          2HD2      LEU   3   4.655  -1.375  10.922
   29   3HD2  LEU   3          3HD2      LEU   3   4.440   0.370  10.774
   30    H    ILE   4           H        ILE   4   4.287  -2.315   7.008
   31    HA   ILE   4           HA       ILE   4   5.967  -2.132   4.618
   32    HB   ILE   4           HB       ILE   4   3.042  -2.840   4.709
   33   1HG1  ILE   4          2HG1      ILE   4   5.404  -4.717   5.058
   34   2HG1  ILE   4          1HG1      ILE   4   4.210  -4.320   6.291
   35   1HG2  ILE   4          1HG2      ILE   4   3.934  -2.373   2.506
   36   2HG2  ILE   4          2HG2      ILE   4   3.596  -4.097   2.658
   37   3HG2  ILE   4          3HG2      ILE   4   5.256  -3.511   2.769
   38   1HD1  ILE   4          1HD1      ILE   4   2.467  -5.351   4.884
   39   2HD1  ILE   4          2HD1      ILE   4   3.734  -6.478   5.360
   40   3HD1  ILE   4          3HD1      ILE   4   3.714  -5.818   3.725
   41    H    TYR   5           H        TYR   5   5.585  -0.688   2.901
   42    HA   TYR   5           HA       TYR   5   3.605   1.450   3.395
   43   1HB   TYR   5          2HB       TYR   5   6.394   1.958   2.342
   44   2HB   TYR   5          1HB       TYR   5   5.187   3.155   2.793
   45    HD1  TYR   5           HD1      TYR   5   4.303   2.086   5.444
   46    HD2  TYR   5           HD2      TYR   5   8.194   2.412   3.740
   47    HE1  TYR   5           HE1      TYR   5   5.280   2.242   7.701
   48    HE2  TYR   5           HE2      TYR   5   9.173   2.551   5.987
   49    HH   TYR   5           HH       TYR   5   7.416   1.872   8.815
   50    H    LYS   6           H        LYS   6   2.235   1.583   1.714
   51    HA   LYS   6           HA       LYS   6   3.302   1.167  -1.010
   52   1HB   LYS   6          2HB       LYS   6   2.002  -0.781  -0.475
   53   2HB   LYS   6          1HB       LYS   6   0.665   0.203   0.102
   54   1HG   LYS   6          2HG       LYS   6   0.074   0.878  -2.080
   55   2HG   LYS   6          1HG       LYS   6   1.608   0.330  -2.755
   56   1HD   LYS   6          2HD       LYS   6  -0.288  -1.163  -3.304
   57   2HD   LYS   6          1HD       LYS   6   0.996  -1.972  -2.406
   58   1HE   LYS   6          2HE       LYS   6  -0.330  -1.647  -0.327
   59   2HE   LYS   6          1HE       LYS   6  -1.637  -0.981  -1.310
   60   1HZ   LYS   6          1HZ       LYS   6  -0.494  -3.704  -1.607
   61   2HZ   LYS   6          2HZ       LYS   6  -1.795  -3.068  -2.480
   62   3HZ   LYS   6          3HZ       LYS   6  -1.947  -3.341  -0.818
   63    H    ILE   7           H        ILE   7   3.048   2.878  -2.318
   64    HA   ILE   7           HA       ILE   7   1.329   5.088  -1.469
   65    HB   ILE   7           HB       ILE   7   3.349   4.988  -3.731
   66   1HG1  ILE   7          2HG1      ILE   7   4.559   6.635  -2.115
   67   2HG1  ILE   7          1HG1      ILE   7   3.519   5.941  -0.874
   68   1HG2  ILE   7          1HG2      ILE   7   1.631   6.631  -4.198
   69   2HG2  ILE   7          2HG2      ILE   7   3.128   7.450  -3.752
   70   3HG2  ILE   7          3HG2      ILE   7   1.812   7.322  -2.585
   71   1HD1  ILE   7          1HD1      ILE   7   4.439   3.732  -1.350
   72   2HD1  ILE   7          2HD1      ILE   7   5.698   4.884  -0.905
   73   3HD1  ILE   7          3HD1      ILE   7   5.473   4.433  -2.596
   74    H    LEU   8           H        LEU   8  -0.438   5.796  -2.536
   75    HA   LEU   8           HA       LEU   8  -0.984   4.986  -5.275
   76   1HB   LEU   8          2HB       LEU   8  -3.141   4.054  -4.882
   77   2HB   LEU   8          1HB       LEU   8  -2.020   3.212  -3.832
   78    HG   LEU   8           HG       LEU   8  -3.956   5.380  -2.972
   79   1HD1  LEU   8          1HD1      LEU   8  -5.115   3.337  -3.525
   80   2HD1  LEU   8          2HD1      LEU   8  -5.086   3.543  -1.774
   81   3HD1  LEU   8          3HD1      LEU   8  -3.993   2.392  -2.545
   82   1HD2  LEU   8          1HD2      LEU   8  -3.304   4.779  -0.682
   83   2HD2  LEU   8          2HD2      LEU   8  -1.947   5.424  -1.600
   84   3HD2  LEU   8          3HD2      LEU   8  -2.073   3.688  -1.320
   85    H    SER   9           H        SER   9  -3.189   6.105  -5.974
   86    HA   SER   9           HA       SER   9  -2.953   8.895  -5.215
   87   1HB   SER   9          2HB       SER   9  -4.531   9.360  -6.987
   88   2HB   SER   9          1HB       SER   9  -3.359   8.188  -7.587
   89    HG   SER   9           HG       SER   9  -5.138   7.177  -8.138
   90    H    ARG  10           H        ARG  10  -4.642  10.194  -4.360
   91    HA   ARG  10           HA       ARG  10  -6.096   9.115  -2.237
   92   1HB   ARG  10          2HB       ARG  10  -5.488  11.628  -3.016
   93   2HB   ARG  10          1HB       ARG  10  -7.169  11.585  -3.520
   94   1HG   ARG  10          2HG       ARG  10  -6.204  10.976  -0.725
   95   2HG   ARG  10          1HG       ARG  10  -6.808  12.543  -1.260
   96   1HD   ARG  10          2HD       ARG  10  -8.974  11.541  -1.775
   97   2HD   ARG  10          1HD       ARG  10  -8.376   9.959  -1.274
   98    HE   ARG  10           HE       ARG  10  -7.970  11.334   0.946
   99   1HH1  ARG  10          1HH1      ARG  10 -10.710  11.360  -1.147
  100   2HH1  ARG  10          2HH1      ARG  10 -11.822  11.737   0.119
  101   1HH2  ARG  10          1HH2      ARG  10  -9.409  11.823   2.567
  102   2HH2  ARG  10          2HH2      ARG  10 -11.089  11.984   2.196
  103    H    ALA  11           H        ALA  11  -6.963   9.500  -5.613
  104    HA   ALA  11           HA       ALA  11  -9.730   8.987  -5.450
  105   1HB   ALA  11          1HB       ALA  11  -9.586   8.426  -7.818
  106   2HB   ALA  11          2HB       ALA  11  -7.830   8.300  -7.699
  107   3HB   ALA  11          3HB       ALA  11  -8.619   9.859  -7.463
  108    H    GLU  12           H        GLU  12  -7.043   6.724  -6.181
  109    HA   GLU  12           HA       GLU  12  -8.541   4.358  -6.213
  110   1HB   GLU  12          2HB       GLU  12  -5.651   4.754  -5.388
  111   2HB   GLU  12          1HB       GLU  12  -6.380   3.205  -5.787
  112   1HG   GLU  12          2HG       GLU  12  -6.115   5.535  -7.685
  113   2HG   GLU  12          1HG       GLU  12  -5.024   4.152  -7.618
  114    H    TRP  13           H        TRP  13  -6.888   5.975  -3.523
  115    HA   TRP  13           HA       TRP  13  -7.384   4.023  -1.557
  116   1HB   TRP  13          2HB       TRP  13  -5.710   5.741  -1.208
  117   2HB   TRP  13          1HB       TRP  13  -6.930   7.007  -1.295
  118    HD1  TRP  13           HD1      TRP  13  -7.162   7.991   1.046
  119    HE1  TRP  13           HE1      TRP  13  -7.374   7.069   3.434
  120    HE3  TRP  13           HE3      TRP  13  -6.632   2.999   0.041
  121    HZ2  TRP  13           HZ2      TRP  13  -7.327   4.558   4.725
  122    HZ3  TRP  13           HZ3      TRP  13  -6.734   1.406   1.915
  123    HH2  TRP  13           HH2      TRP  13  -7.074   2.171   4.205
  124    H    ASP  14           H        ASP  14  -9.184   7.035  -2.268
  125    HA   ASP  14           HA       ASP  14 -11.174   6.703  -0.322
  126   1HB   ASP  14          2HB       ASP  14 -10.669   8.759  -1.788
  127   2HB   ASP  14          1HB       ASP  14 -11.686   7.994  -2.998
  128    H    ALA  15           H        ALA  15 -11.140   5.779  -3.728
  129    HA   ALA  15           HA       ALA  15 -13.649   4.616  -3.936
  130   1HB   ALA  15          1HB       ALA  15 -12.119   5.102  -5.799
  131   2HB   ALA  15          2HB       ALA  15 -12.760   3.457  -5.866
  132   3HB   ALA  15          3HB       ALA  15 -11.109   3.743  -5.307
  133    H    ALA  16           H        ALA  16 -10.567   3.068  -2.981
  134    HA   ALA  16           HA       ALA  16 -11.592   0.478  -2.556
  135   1HB   ALA  16          1HB       ALA  16  -9.243   1.810  -1.194
  136   2HB   ALA  16          2HB       ALA  16  -9.198   0.953  -2.735
  137   3HB   ALA  16          3HB       ALA  16  -9.563   0.076  -1.249
  138    H    LYS  17           H        LYS  17 -11.491   3.304  -0.410
  139    HA   LYS  17           HA       LYS  17 -12.348   1.965   1.940
  140   1HB   LYS  17          2HB       LYS  17 -12.736   4.859   1.134
  141   2HB   LYS  17          1HB       LYS  17 -13.038   4.216   2.743
  142   1HG   LYS  17          2HG       LYS  17 -10.615   3.506   2.785
  143   2HG   LYS  17          1HG       LYS  17 -10.401   4.448   1.312
  144   1HD   LYS  17          2HD       LYS  17 -11.444   5.568   3.917
  145   2HD   LYS  17          1HD       LYS  17  -9.760   5.644   3.410
  146   1HE   LYS  17          2HE       LYS  17 -10.688   7.741   2.862
  147   2HE   LYS  17          1HE       LYS  17 -10.571   6.865   1.342
  148   1HZ   LYS  17          1HZ       LYS  17 -12.674   8.027   1.540
  149   2HZ   LYS  17          2HZ       LYS  17 -13.033   7.198   2.971
  150   3HZ   LYS  17          3HZ       LYS  17 -12.939   6.357   1.509
  151    H    ALA  18           H        ALA  18 -14.082   3.180  -0.858
  152    HA   ALA  18           HA       ALA  18 -16.713   2.967   0.167
  153   1HB   ALA  18          1HB       ALA  18 -17.439   2.925  -2.150
  154   2HB   ALA  18          2HB       ALA  18 -15.798   2.555  -2.683
  155   3HB   ALA  18          3HB       ALA  18 -16.156   4.118  -1.944
  156    H    GLN  19           H        GLN  19 -14.548   0.598  -1.332
  157    HA   GLN  19           HA       GLN  19 -16.433  -1.585  -1.117
  158   1HB   GLN  19          2HB       GLN  19 -13.459  -1.500  -1.687
  159   2HB   GLN  19          1HB       GLN  19 -14.379  -2.995  -1.619
  160   1HG   GLN  19          2HG       GLN  19 -14.124  -2.398  -3.901
  161   2HG   GLN  19          1HG       GLN  19 -15.801  -2.126  -3.461
  162   1HE2  GLN  19          1HE2      GLN  19 -12.789  -0.621  -4.305
  163   2HE2  GLN  19          2HE2      GLN  19 -13.438   0.950  -4.609
  164    H    GLY  20           H        GLY  20 -14.056  -0.092   0.910
  165   1HA   GLY  20          2HA       GLY  20 -13.597  -0.449   3.160
  166   2HA   GLY  20          1HA       GLY  20 -14.658  -1.851   3.131
  167    H    ARG  21           H        ARG  21 -12.850  -2.486   0.582
  168    HA   ARG  21           HA       ARG  21 -10.564  -3.635   2.052
  169   1HB   ARG  21          2HB       ARG  21 -11.973  -5.260  -0.060
  170   2HB   ARG  21          1HB       ARG  21 -10.914  -5.804   1.231
  171   1HG   ARG  21          2HG       ARG  21 -12.666  -5.369   2.871
  172   2HG   ARG  21          1HG       ARG  21 -13.726  -4.773   1.594
  173   1HD   ARG  21          2HD       ARG  21 -13.489  -7.043   0.505
  174   2HD   ARG  21          1HD       ARG  21 -12.698  -7.582   1.986
  175    HE   ARG  21           HE       ARG  21 -15.492  -6.674   1.777
  176   1HH1  ARG  21          1HH1      ARG  21 -13.033  -8.461   3.407
  177   2HH1  ARG  21          2HH1      ARG  21 -14.138  -9.127   4.560
  178   1HH2  ARG  21          1HH2      ARG  21 -16.891  -7.548   3.233
  179   2HH2  ARG  21          2HH2      ARG  21 -16.307  -8.630   4.449
  180    H    PHE  22           H        PHE  22  -8.725  -2.975   1.041
  181    HA   PHE  22           HA       PHE  22  -8.703  -2.200  -1.739
  182   1HB   PHE  22          2HB       PHE  22  -7.242  -1.105  -0.035
  183   2HB   PHE  22          1HB       PHE  22  -6.358  -2.615   0.146
  184    HD1  PHE  22           HD1      PHE  22  -7.142   0.139  -2.193
  185    HD2  PHE  22           HD2      PHE  22  -4.661  -3.242  -1.415
  186    HE1  PHE  22           HE1      PHE  22  -5.654   0.804  -4.037
  187    HE2  PHE  22           HE2      PHE  22  -3.176  -2.576  -3.258
  188    HZ   PHE  22           HZ       PHE  22  -3.670  -0.554  -4.572
  189    H    GLU  23           H        GLU  23  -9.356  -4.059  -2.848
  190    HA   GLU  23           HA       GLU  23  -8.024  -6.589  -2.386
  191   1HB   GLU  23          2HB       GLU  23 -10.172  -5.845  -4.379
  192   2HB   GLU  23          1HB       GLU  23  -9.607  -7.479  -4.050
  193   1HG   GLU  23          2HG       GLU  23 -10.401  -7.306  -1.751
  194   2HG   GLU  23          1HG       GLU  23 -10.939  -5.654  -2.049
  195    H    GLY  24           H        GLY  24  -5.897  -5.864  -3.022
  196   1HA   GLY  24          2HA       GLY  24  -4.110  -5.946  -4.450
  197   2HA   GLY  24          1HA       GLY  24  -5.117  -6.983  -5.441
  198    H    SER  25           H        SER  25  -4.807  -6.324  -7.448
  199    HA   SER  25           HA       SER  25  -5.848  -4.085  -8.646
  200   1HB   SER  25          2HB       SER  25  -4.267  -2.686  -7.380
  201   2HB   SER  25          1HB       SER  25  -2.911  -3.629  -8.004
  202    HG   SER  25           HG       SER  25  -4.190  -1.538  -9.131
  203    H    ALA  26           H        ALA  26  -4.577  -3.616 -10.882
  204    HA   ALA  26           HA       ALA  26  -4.603  -6.020 -12.316
  205   1HB   ALA  26          1HB       ALA  26  -4.940  -3.797 -13.324
  206   2HB   ALA  26          2HB       ALA  26  -3.745  -4.757 -14.195
  207   3HB   ALA  26          3HB       ALA  26  -3.221  -3.460 -13.121
  208    H    VAL  27           H        VAL  27  -1.755  -4.112 -11.266
  209    HA   VAL  27           HA       VAL  27   0.186  -5.947 -12.205
  210    HB   VAL  27           HB       VAL  27   0.649  -3.572 -11.607
  211   1HG1  VAL  27          1HG1      VAL  27   1.122  -2.996  -9.259
  212   2HG1  VAL  27          2HG1      VAL  27   0.515  -4.575  -8.761
  213   3HG1  VAL  27          3HG1      VAL  27  -0.573  -3.414  -9.521
  214   1HG2  VAL  27          1HG2      VAL  27   2.891  -3.976 -10.673
  215   2HG2  VAL  27          2HG2      VAL  27   2.489  -5.126 -11.949
  216   3HG2  VAL  27          3HG2      VAL  27   2.413  -5.622 -10.258
  217    H    ASP  28           H        ASP  28  -1.766  -5.916  -9.329
  218    HA   ASP  28           HA       ASP  28  -0.299  -7.738  -7.742
  219   1HB   ASP  28          2HB       ASP  28  -1.928  -6.690  -6.508
  220   2HB   ASP  28          1HB       ASP  28  -3.097  -6.716  -7.820
  221    H    LEU  29           H        LEU  29  -3.114  -8.328  -9.897
  222    HA   LEU  29           HA       LEU  29  -2.988 -11.129  -9.843
  223   1HB   LEU  29          2HB       LEU  29  -4.001  -9.227 -11.955
  224   2HB   LEU  29          1HB       LEU  29  -4.095 -10.964 -12.153
  225    HG   LEU  29           HG       LEU  29  -6.228 -10.178 -11.410
  226   1HD1  LEU  29          1HD1      LEU  29  -5.506 -12.318 -10.495
  227   2HD1  LEU  29          2HD1      LEU  29  -6.556 -11.459  -9.368
  228   3HD1  LEU  29          3HD1      LEU  29  -4.813 -11.496  -9.094
  229   1HD2  LEU  29          1HD2      LEU  29  -4.833  -8.919  -9.048
  230   2HD2  LEU  29          2HD2      LEU  29  -6.574  -8.966  -9.327
  231   3HD2  LEU  29          3HD2      LEU  29  -5.533  -8.055 -10.419
  232    H    ALA  30           H        ALA  30  -1.120  -8.805 -11.700
  233    HA   ALA  30           HA       ALA  30   0.071 -10.546 -13.561
  234   1HB   ALA  30          1HB       ALA  30   1.229  -8.050 -12.318
  235   2HB   ALA  30          2HB       ALA  30   0.206  -8.117 -13.753
  236   3HB   ALA  30          3HB       ALA  30   1.815  -8.841 -13.782
  237    H    ASP  31           H        ASP  31   0.964  -9.769 -10.225
  238    HA   ASP  31           HA       ASP  31   3.206 -11.633 -10.237
  239   1HB   ASP  31          2HB       ASP  31   1.945  -9.861  -8.147
  240   2HB   ASP  31          1HB       ASP  31   3.135 -11.077  -7.707
  241    H    GLY  32           H        GLY  32  -0.171 -11.647  -9.406
  242   1HA   GLY  32          2HA       GLY  32  -1.500 -13.484  -8.785
  243   2HA   GLY  32          1HA       GLY  32  -0.040 -14.402  -8.432
  244    H    PHE  33           H        PHE  33   0.554 -11.570  -7.031
  245    HA   PHE  33           HA       PHE  33  -0.956 -11.869  -4.581
  246   1HB   PHE  33          2HB       PHE  33   1.505 -11.839  -3.420
  247   2HB   PHE  33          1HB       PHE  33   0.560 -13.297  -3.684
  248    HD1  PHE  33           HD2      PHE  33   3.095 -11.166  -5.428
  249    HD2  PHE  33           HD1      PHE  33   1.551 -15.077  -4.769
  250    HE1  PHE  33           HE2      PHE  33   4.923 -12.114  -6.772
  251    HE2  PHE  33           HE1      PHE  33   3.376 -16.027  -6.113
  252    HZ   PHE  33           HZ       PHE  33   5.066 -14.547  -7.116
  253    H    ILE  34           H        ILE  34  -0.826 -10.050  -3.197
  254    HA   ILE  34           HA       ILE  34  -0.872  -7.688  -4.699
  255    HB   ILE  34           HB       ILE  34  -0.866  -7.925  -1.685
  256   1HG1  ILE  34          2HG1      ILE  34  -3.169  -7.931  -3.664
  257   2HG1  ILE  34          1HG1      ILE  34  -2.623  -9.307  -2.709
  258   1HG2  ILE  34          1HG2      ILE  34  -1.881  -5.702  -3.474
  259   2HG2  ILE  34          2HG2      ILE  34  -0.445  -5.633  -2.453
  260   3HG2  ILE  34          3HG2      ILE  34  -2.041  -5.767  -1.718
  261   1HD1  ILE  34          1HD1      ILE  34  -3.832  -6.763  -1.636
  262   2HD1  ILE  34          2HD1      ILE  34  -3.259  -8.118  -0.662
  263   3HD1  ILE  34          3HD1      ILE  34  -4.622  -8.336  -1.758
  264    H    HIS  35           H        HIS  35   0.585  -6.208  -5.210
  265    HA   HIS  35           HA       HIS  35   3.246  -6.116  -4.158
  266   1HB   HIS  35          2HB       HIS  35   1.646  -4.195  -5.865
  267   2HB   HIS  35          1HB       HIS  35   3.284  -3.838  -5.339
  268    HD1  HIS  35           HD1      HIS  35   5.075  -4.558  -6.867
  269    HD2  HIS  35           HD2      HIS  35   1.558  -6.679  -7.516
  270    HE1  HIS  35           HE1      HIS  35   5.498  -5.951  -8.908
  271    HE2  HIS  35           HE2      HIS  35   3.398  -7.290  -9.231
  272    H    LEU  36           H        LEU  36   4.078  -4.877  -2.519
  273    HA   LEU  36           HA       LEU  36   2.581  -2.576  -1.539
  274   1HB   LEU  36          2HB       LEU  36   3.532  -4.811   0.253
  275   2HB   LEU  36          1HB       LEU  36   3.088  -3.221   0.837
  276    HG   LEU  36           HG       LEU  36   0.846  -3.962  -0.593
  277   1HD1  LEU  36          1HD1      LEU  36   0.263  -6.219   0.217
  278   2HD1  LEU  36          2HD1      LEU  36   1.923  -6.423   0.779
  279   3HD1  LEU  36          3HD1      LEU  36   1.592  -6.219  -0.942
  280   1HD2  LEU  36          1HD2      LEU  36   1.375  -4.370   2.352
  281   2HD2  LEU  36          2HD2      LEU  36  -0.209  -4.235   1.586
  282   3HD2  LEU  36          3HD2      LEU  36   0.893  -2.856   1.581
  283    H    SER  37           H        SER  37   5.440  -4.439  -0.595
  284    HA   SER  37           HA       SER  37   7.675  -3.987  -0.683
  285   1HB   SER  37          2HB       SER  37   6.886  -1.359  -1.965
  286   2HB   SER  37          1HB       SER  37   8.540  -1.936  -1.778
  287    HG   SER  37           HG       SER  37   6.808  -2.492  -3.711
  288    H    ALA  38           H        ALA  38   9.319  -2.726   0.439
  289    HA   ALA  38           HA       ALA  38   8.234  -1.395   2.822
  290   1HB   ALA  38          1HB       ALA  38  11.036  -2.400   2.297
  291   2HB   ALA  38          2HB       ALA  38   9.776  -3.289   3.152
  292   3HB   ALA  38          3HB       ALA  38  10.411  -1.789   3.829
  293    H    GLY  39           H        GLY  39   9.993   0.334   3.684
  294   1HA   GLY  39          2HA       GLY  39   9.539   2.681   2.406
  295   2HA   GLY  39          1HA       GLY  39  10.957   2.417   3.399
  296    H    GLU  40           H        GLU  40  12.484   0.750   1.870
  297    HA   GLU  40           HA       GLU  40  13.803   2.400   0.063
  298   1HB   GLU  40          2HB       GLU  40  14.911   0.494   1.006
  299   2HB   GLU  40          1HB       GLU  40  13.721  -0.610   0.336
  300   1HG   GLU  40          2HG       GLU  40  15.752  -0.817  -0.903
  301   2HG   GLU  40          1HG       GLU  40  14.540  -0.062  -1.931
  302    H    GLN  41           H        GLN  41  11.973  -0.511  -0.903
  303    HA   GLN  41           HA       GLN  41  11.959   0.223  -3.651
  304   1HB   GLN  41          2HB       GLN  41  10.283  -1.873  -2.248
  305   2HB   GLN  41          1HB       GLN  41  10.529  -1.742  -3.983
  306   1HG   GLN  41          2HG       GLN  41  12.068  -3.345  -3.546
  307   2HG   GLN  41          1HG       GLN  41  13.082  -1.937  -3.252
  308   1HE2  GLN  41          1HE2      GLN  41  13.338  -4.618  -2.201
  309   2HE2  GLN  41          2HE2      GLN  41  13.278  -4.488  -0.481
  310    H    ALA  42           H        ALA  42   9.867   1.007  -1.034
  311    HA   ALA  42           HA       ALA  42   7.467   1.493  -2.476
  312   1HB   ALA  42          1HB       ALA  42   7.466   1.213  -0.056
  313   2HB   ALA  42          2HB       ALA  42   6.775   2.775  -0.497
  314   3HB   ALA  42          3HB       ALA  42   8.421   2.683   0.131
  315    H    GLN  43           H        GLN  43   9.918   3.800  -1.220
  316    HA   GLN  43           HA       GLN  43   8.861   6.045  -2.546
  317   1HB   GLN  43          2HB       GLN  43  10.328   6.506  -0.764
  318   2HB   GLN  43          1HB       GLN  43  11.588   5.459  -1.408
  319   1HG   GLN  43          2HG       GLN  43  12.227   7.010  -3.024
  320   2HG   GLN  43          1HG       GLN  43  10.708   7.892  -2.918
  321   1HE2  GLN  43          1HE2      GLN  43  11.853   9.814  -2.694
  322   2HE2  GLN  43          2HE2      GLN  43  12.619  10.254  -1.205
  323    H    GLU  44           H        GLU  44  11.368   3.731  -3.586
  324    HA   GLU  44           HA       GLU  44  12.050   4.958  -6.013
  325   1HB   GLU  44          2HB       GLU  44  13.287   3.045  -5.104
  326   2HB   GLU  44          1HB       GLU  44  11.900   1.998  -5.374
  327   1HG   GLU  44          2HG       GLU  44  13.448   1.586  -7.122
  328   2HG   GLU  44          1HG       GLU  44  12.108   2.488  -7.822
  329    H    THR  45           H        THR  45   9.662   2.340  -5.506
  330    HA   THR  45           HA       THR  45   8.523   2.342  -8.053
  331    HB   THR  45           HB       THR  45   7.185   1.725  -5.399
  332    HG1  THR  45           HG1      THR  45   8.590   0.129  -5.599
  333   1HG2  THR  45          1HG2      THR  45   6.282   1.008  -8.200
  334   2HG2  THR  45          2HG2      THR  45   5.491   2.161  -7.125
  335   3HG2  THR  45          3HG2      THR  45   5.537   0.451  -6.701
  336    H    ALA  46           H        ALA  46   7.887   4.442  -5.298
  337    HA   ALA  46           HA       ALA  46   5.583   5.733  -6.278
  338   1HB   ALA  46          1HB       ALA  46   6.306   5.896  -3.946
  339   2HB   ALA  46          2HB       ALA  46   6.100   7.494  -4.663
  340   3HB   ALA  46          3HB       ALA  46   7.719   6.828  -4.443
  341    H    ALA  47           H        ALA  47   9.034   6.686  -6.530
  342    HA   ALA  47           HA       ALA  47   8.610   9.029  -8.047
  343   1HB   ALA  47          1HB       ALA  47  10.699   8.567  -6.862
  344   2HB   ALA  47          2HB       ALA  47  11.000   8.895  -8.569
  345   3HB   ALA  47          3HB       ALA  47  11.041   7.237  -7.969
  346    H    LYS  48           H        LYS  48   8.938   5.664  -9.001
  347    HA   LYS  48           HA       LYS  48   9.231   6.155 -11.803
  348   1HB   LYS  48          2HB       LYS  48   8.553   3.665 -10.230
  349   2HB   LYS  48          1HB       LYS  48   8.878   3.687 -11.951
  350   1HG   LYS  48          2HG       LYS  48  11.145   4.346 -11.602
  351   2HG   LYS  48          1HG       LYS  48  10.849   4.636  -9.888
  352   1HD   LYS  48          2HD       LYS  48  12.036   2.531 -10.218
  353   2HD   LYS  48          1HD       LYS  48  10.430   2.247  -9.545
  354   1HE   LYS  48          2HE       LYS  48   9.604   1.651 -11.780
  355   2HE   LYS  48          1HE       LYS  48  11.206   1.954 -12.453
  356   1HZ   LYS  48          1HZ       LYS  48  10.861  -0.393 -12.080
  357   2HZ   LYS  48          2HZ       LYS  48  10.529  -0.127 -10.445
  358   3HZ   LYS  48          3HZ       LYS  48  12.078   0.177 -11.053
  359    H    TRP  49           H        TRP  49   6.528   4.922  -9.807
  360    HA   TRP  49           HA       TRP  49   4.759   4.880 -12.123
  361   1HB   TRP  49          2HB       TRP  49   4.306   4.029  -9.248
  362   2HB   TRP  49          1HB       TRP  49   3.143   3.818 -10.552
  363    HD1  TRP  49           HD1      TRP  49   6.930   2.915 -10.354
  364    HE1  TRP  49           HE1      TRP  49   7.192   0.451 -11.035
  365    HE3  TRP  49           HE3      TRP  49   2.005   1.755 -11.092
  366    HZ2  TRP  49           HZ2      TRP  49   5.532  -1.702 -11.781
  367    HZ3  TRP  49           HZ3      TRP  49   1.426  -0.535 -11.784
  368    HH2  TRP  49           HH2      TRP  49   3.155  -2.228 -12.122
  369    H    PHE  50           H        PHE  50   5.018   6.600  -9.032
  370    HA   PHE  50           HA       PHE  50   2.737   8.314  -9.804
  371   1HB   PHE  50          2HB       PHE  50   3.767   7.581  -7.041
  372   2HB   PHE  50          1HB       PHE  50   2.490   8.756  -7.347
  373    HD1  PHE  50           HD2      PHE  50   0.304   8.017  -8.224
  374    HD2  PHE  50           HD1      PHE  50   3.346   5.225  -7.154
  375    HE1  PHE  50           HE2      PHE  50  -1.362   6.206  -8.208
  376    HE2  PHE  50           HE1      PHE  50   1.681   3.416  -7.138
  377    HZ   PHE  50           HZ       PHE  50  -0.675   3.905  -7.667
  378    H    ARG  51           H        ARG  51   4.786   9.189 -11.048
  379    HA   ARG  51           HA       ARG  51   6.885  10.460  -9.702
  380   1HB   ARG  51          2HB       ARG  51   7.547  11.328 -11.780
  381   2HB   ARG  51          1HB       ARG  51   6.760   9.807 -12.153
  382   1HG   ARG  51          2HG       ARG  51   5.396  12.490 -12.368
  383   2HG   ARG  51          1HG       ARG  51   6.221  11.696 -13.705
  384   1HD   ARG  51          2HD       ARG  51   3.907  10.510 -12.169
  385   2HD   ARG  51          1HD       ARG  51   3.762  11.357 -13.710
  386    HE   ARG  51           HE       ARG  51   5.636   9.323 -14.042
  387   1HH1  ARG  51          1HH1      ARG  51   2.263   9.673 -13.460
  388   2HH1  ARG  51          2HH1      ARG  51   1.872   8.154 -14.182
  389   1HH2  ARG  51          1HH2      ARG  51   5.131   7.405 -15.004
  390   2HH2  ARG  51          2HH2      ARG  51   3.480   6.887 -15.076
  391    H    GLY  52           H        GLY  52   3.702  11.476  -9.635
  392   1HA   GLY  52          2HA       GLY  52   3.824  13.606  -8.086
  393   2HA   GLY  52          1HA       GLY  52   4.342  14.336  -9.595
  394    H    GLN  53           H        GLN  53   1.669  12.438  -8.188
  395    HA   GLN  53           HA       GLN  53  -0.166  13.807 -10.047
  396   1HB   GLN  53          2HB       GLN  53  -0.643  11.290  -8.430
  397   2HB   GLN  53          1HB       GLN  53  -1.759  11.996  -9.589
  398   1HG   GLN  53          2HG       GLN  53  -0.139  11.606 -11.387
  399   2HG   GLN  53          1HG       GLN  53   0.974  10.891 -10.222
  400   1HE2  GLN  53          1HE2      GLN  53  -0.213   9.706 -12.592
  401   2HE2  GLN  53          2HE2      GLN  53  -1.072   8.306 -12.053
  402    H    ALA  54           H        ALA  54   0.997  14.846  -7.562
  403    HA   ALA  54           HA       ALA  54   0.429  16.293  -5.932
  404   1HB   ALA  54          1HB       ALA  54  -1.704  17.421  -6.039
  405   2HB   ALA  54          2HB       ALA  54  -2.353  16.150  -7.077
  406   3HB   ALA  54          3HB       ALA  54  -1.060  17.195  -7.666
  407    H    ASN  55           H        ASN  55  -2.649  14.487  -5.993
  408    HA   ASN  55           HA       ASN  55  -2.636  14.438  -3.098
  409   1HB   ASN  55          2HB       ASN  55  -4.736  13.451  -5.049
  410   2HB   ASN  55          1HB       ASN  55  -4.944  13.627  -3.307
  411   1HD2  ASN  55          1HD2      ASN  55  -5.107  15.694  -2.425
  412   2HD2  ASN  55          2HD2      ASN  55  -5.429  17.082  -3.400
  413    H    LEU  56           H        LEU  56  -0.651  12.975  -3.458
  414    HA   LEU  56           HA       LEU  56  -1.307  10.157  -3.792
  415   1HB   LEU  56          2HB       LEU  56   1.324  11.438  -3.017
  416   2HB   LEU  56          1HB       LEU  56   1.084   9.765  -3.493
  417    HG   LEU  56           HG       LEU  56   0.803  12.212  -5.249
  418   1HD1  LEU  56          1HD1      LEU  56   2.701   9.873  -5.398
  419   2HD1  LEU  56          2HD1      LEU  56   3.102  11.491  -4.820
  420   3HD1  LEU  56          3HD1      LEU  56   2.637  11.248  -6.504
  421   1HD2  LEU  56          1HD2      LEU  56   0.179   9.323  -5.868
  422   2HD2  LEU  56          2HD2      LEU  56   0.356  10.595  -7.077
  423   3HD2  LEU  56          3HD2      LEU  56  -0.939  10.691  -5.886
  424    H    VAL  57           H        VAL  57  -1.433   8.649  -2.205
  425    HA   VAL  57           HA       VAL  57  -1.048   9.511   0.595
  426    HB   VAL  57           HB       VAL  57  -3.171   7.597  -0.430
  427   1HG1  VAL  57          1HG1      VAL  57  -4.040   7.644   1.868
  428   2HG1  VAL  57          2HG1      VAL  57  -2.674   8.644   2.364
  429   3HG1  VAL  57          3HG1      VAL  57  -2.402   6.993   1.806
  430   1HG2  VAL  57          1HG2      VAL  57  -3.470  10.408   0.651
  431   2HG2  VAL  57          2HG2      VAL  57  -4.790   9.328   0.198
  432   3HG2  VAL  57          3HG2      VAL  57  -3.673   9.919  -1.032
  433    H    LEU  58           H        LEU  58  -0.026   8.069   1.971
  434    HA   LEU  58           HA       LEU  58   1.107   5.650   0.714
  435   1HB   LEU  58          2HB       LEU  58   2.717   7.408   1.399
  436   2HB   LEU  58          1HB       LEU  58   2.153   7.273   3.050
  437    HG   LEU  58           HG       LEU  58   3.355   4.892   1.636
  438   1HD1  LEU  58          1HD1      LEU  58   4.864   7.027   3.154
  439   2HD1  LEU  58          2HD1      LEU  58   4.970   6.715   1.421
  440   3HD1  LEU  58          3HD1      LEU  58   5.531   5.501   2.570
  441   1HD2  LEU  58          1HD2      LEU  58   2.214   4.441   3.743
  442   2HD2  LEU  58          2HD2      LEU  58   3.162   5.689   4.551
  443   3HD2  LEU  58          3HD2      LEU  58   3.954   4.237   3.938
  444    H    LEU  59           H        LEU  59   0.119   3.823   1.337
  445    HA   LEU  59           HA       LEU  59  -1.382   3.651   3.795
  446   1HB   LEU  59          2HB       LEU  59  -0.708   1.488   1.793
  447   2HB   LEU  59          1HB       LEU  59  -1.879   1.357   3.093
  448    HG   LEU  59           HG       LEU  59  -2.065   3.136   0.663
  449   1HD1  LEU  59          1HD1      LEU  59  -4.048   1.793   0.148
  450   2HD1  LEU  59          2HD1      LEU  59  -3.734   0.787   1.562
  451   3HD1  LEU  59          3HD1      LEU  59  -2.589   0.806   0.220
  452   1HD2  LEU  59          1HD2      LEU  59  -3.952   2.933   3.011
  453   2HD2  LEU  59          2HD2      LEU  59  -4.234   3.850   1.530
  454   3HD2  LEU  59          3HD2      LEU  59  -2.926   4.313   2.616
  455    H    ALA  60           H        ALA  60  -0.288   3.506   5.644
  456    HA   ALA  60           HA       ALA  60   2.129   1.866   5.838
  457   1HB   ALA  60          1HB       ALA  60   2.361   2.836   8.082
  458   2HB   ALA  60          2HB       ALA  60   0.816   3.665   7.885
  459   3HB   ALA  60          3HB       ALA  60   2.183   4.090   6.853
  460    H    VAL  61           H        VAL  61   1.802  -0.252   6.171
  461    HA   VAL  61           HA       VAL  61  -0.344  -1.083   8.037
  462    HB   VAL  61           HB       VAL  61   0.722  -2.692   5.701
  463   1HG1  VAL  61          1HG1      VAL  61  -1.156  -4.197   6.169
  464   2HG1  VAL  61          2HG1      VAL  61  -1.614  -3.202   7.551
  465   3HG1  VAL  61          3HG1      VAL  61  -0.077  -4.068   7.560
  466   1HG2  VAL  61          1HG2      VAL  61  -0.534  -0.789   4.865
  467   2HG2  VAL  61          2HG2      VAL  61  -1.872  -1.160   5.953
  468   3HG2  VAL  61          3HG2      VAL  61  -1.468  -2.270   4.643
  469    H    GLU  62           H        GLU  62   0.501  -1.810   9.910
  470    HA   GLU  62           HA       GLU  62   3.182  -2.870  10.053
  471   1HB   GLU  62          2HB       GLU  62   2.693  -3.186  12.464
  472   2HB   GLU  62          1HB       GLU  62   2.375  -1.549  11.911
  473   1HG   GLU  62          2HG       GLU  62  -0.042  -2.135  11.758
  474   2HG   GLU  62          1HG       GLU  62   0.338  -3.697  12.480
  475    H    ALA  63           H        ALA  63   3.484  -4.797   9.119
  476    HA   ALA  63           HA       ALA  63   1.518  -6.896   9.123
  477   1HB   ALA  63          1HB       ALA  63   3.042  -6.555   7.247
  478   2HB   ALA  63          2HB       ALA  63   3.207  -8.177   7.919
  479   3HB   ALA  63          3HB       ALA  63   4.414  -6.943   8.284
  480    H    GLU  64           H        GLU  64   2.134  -6.198  11.785
  481    HA   GLU  64           HA       GLU  64   4.010  -8.067  12.888
  482   1HB   GLU  64          2HB       GLU  64   3.291  -5.772  13.855
  483   2HB   GLU  64          1HB       GLU  64   1.890  -6.630  14.483
  484   1HG   GLU  64          2HG       GLU  64   3.547  -6.503  16.203
  485   2HG   GLU  64          1HG       GLU  64   3.426  -8.179  15.667
  486    HA   PRO  65           HA       PRO  65   0.081 -10.679  13.780
  487   1HB   PRO  65          2HB       PRO  65  -2.333  -9.920  12.970
  488   2HB   PRO  65          1HB       PRO  65  -1.620  -9.177  14.411
  489   1HG   PRO  65          2HG       PRO  65  -1.651  -8.134  11.586
  490   2HG   PRO  65          1HG       PRO  65  -2.137  -7.299  13.079
  491   1HD   PRO  65          2HD       PRO  65   0.333  -6.985  11.995
  492   2HD   PRO  65          1HD       PRO  65   0.035  -6.952  13.739
  493    H    LEU  66           H        LEU  66  -2.017 -11.342  12.115
  494    HA   LEU  66           HA       LEU  66  -2.600 -12.520  10.272
  495   1HB   LEU  66          2HB       LEU  66  -0.488 -10.844   8.908
  496   2HB   LEU  66          1HB       LEU  66  -1.627 -11.889   8.077
  497    HG   LEU  66           HG       LEU  66  -2.335  -9.438   9.709
  498   1HD1  LEU  66          1HD1      LEU  66  -3.029  -8.490   7.555
  499   2HD1  LEU  66          2HD1      LEU  66  -2.424  -9.928   6.730
  500   3HD1  LEU  66          3HD1      LEU  66  -1.306  -8.865   7.585
  501   1HD2  LEU  66          1HD2      LEU  66  -4.124 -11.304   8.141
  502   2HD2  LEU  66          2HD2      LEU  66  -4.625  -9.801   8.918
  503   3HD2  LEU  66          3HD2      LEU  66  -4.062 -11.154   9.898
  504    H    GLY  67           H        GLY  67   0.933 -12.161  10.262
  505   1HA   GLY  67          2HA       GLY  67   2.605 -13.734  10.348
  506   2HA   GLY  67          1HA       GLY  67   1.385 -14.939  10.714
  507    H    GLU  68           H        GLU  68   0.665 -16.287   9.105
  508    HA   GLU  68           HA       GLU  68   2.517 -16.678   6.973
  509   1HB   GLU  68          2HB       GLU  68  -0.094 -18.077   7.586
  510   2HB   GLU  68          1HB       GLU  68   1.055 -18.607   6.368
  511   1HG   GLU  68          2HG       GLU  68   1.327 -19.938   8.346
  512   2HG   GLU  68          1HG       GLU  68   2.750 -18.921   8.139
  513    H    ASP  69           H        ASP  69  -0.331 -14.836   7.159
  514    HA   ASP  69           HA       ASP  69  -1.271 -15.059   4.498
  515   1HB   ASP  69          2HB       ASP  69  -1.544 -12.783   6.476
  516   2HB   ASP  69          1HB       ASP  69  -2.466 -12.941   4.981
  517    H    LEU  70           H        LEU  70   1.486 -13.509   5.788
  518    HA   LEU  70           HA       LEU  70   1.925 -12.067   3.241
  519   1HB   LEU  70          2HB       LEU  70   1.583 -10.508   5.125
  520   2HB   LEU  70          1HB       LEU  70   2.881 -11.292   6.007
  521    HG   LEU  70           HG       LEU  70   4.376 -10.626   4.001
  522   1HD1  LEU  70          1HD1      LEU  70   3.681  -8.628   2.790
  523   2HD1  LEU  70          2HD1      LEU  70   2.104  -8.685   3.578
  524   3HD1  LEU  70          3HD1      LEU  70   2.586  -9.974   2.475
  525   1HD2  LEU  70          1HD2      LEU  70   4.602  -9.664   6.219
  526   2HD2  LEU  70          2HD2      LEU  70   3.309  -8.515   5.869
  527   3HD2  LEU  70          3HD2      LEU  70   4.827  -8.435   4.975
  528    H    LYS  71           H        LYS  71   4.008 -12.187   2.342
  529    HA   LYS  71           HA       LYS  71   6.141 -13.401   3.904
  530   1HB   LYS  71          2HB       LYS  71   5.107 -15.331   2.753
  531   2HB   LYS  71          1HB       LYS  71   5.372 -14.541   1.202
  532   1HG   LYS  71          2HG       LYS  71   7.762 -14.663   1.486
  533   2HG   LYS  71          1HG       LYS  71   7.574 -15.278   3.126
  534   1HD   LYS  71          2HD       LYS  71   8.116 -17.143   1.770
  535   2HD   LYS  71          1HD       LYS  71   6.398 -17.277   2.130
  536   1HE   LYS  71          2HE       LYS  71   7.402 -16.018  -0.415
  537   2HE   LYS  71          1HE       LYS  71   7.162 -17.756  -0.265
  538   1HZ   LYS  71          1HZ       LYS  71   5.234 -16.728  -1.229
  539   2HZ   LYS  71          2HZ       LYS  71   5.079 -15.672   0.074
  540   3HZ   LYS  71          3HZ       LYS  71   4.836 -17.329   0.300
  541    H    TRP  72           H        TRP  72   7.971 -12.289   3.636
  542    HA   TRP  72           HA       TRP  72   8.275 -10.322   1.574
  543   1HB   TRP  72          2HB       TRP  72  10.288 -11.451   3.543
  544   2HB   TRP  72          1HB       TRP  72  10.586 -10.072   2.489
  545    HD1  TRP  72           HD1      TRP  72   8.130 -11.063   5.333
  546    HE1  TRP  72           HE1      TRP  72   7.534  -8.938   6.651
  547    HE3  TRP  72           HE3      TRP  72  10.672  -7.634   2.524
  548    HZ2  TRP  72           HZ2      TRP  72   8.069  -6.169   6.518
  549    HZ3  TRP  72           HZ3      TRP  72  10.578  -5.267   3.186
  550    HH2  TRP  72           HH2      TRP  72   9.304  -4.548   5.144
  551    H    GLU  73           H        GLU  73   8.111 -11.356  -0.379
  552    HA   GLU  73           HA       GLU  73   9.521 -13.842  -0.865
  553   1HB   GLU  73          2HB       GLU  73   7.157 -13.508  -1.499
  554   2HB   GLU  73          1HB       GLU  73   7.647 -12.256  -2.628
  555   1HG   GLU  73          2HG       GLU  73   8.768 -13.838  -4.013
  556   2HG   GLU  73          1HG       GLU  73   8.579 -15.112  -2.806
  557    H    ALA  74           H        ALA  74  11.336 -14.082  -2.031
  558    HA   ALA  74           HA       ALA  74  12.825 -11.744  -2.785
  559   1HB   ALA  74          1HB       ALA  74  14.626 -13.310  -3.301
  560   2HB   ALA  74          2HB       ALA  74  13.512 -14.664  -3.105
  561   3HB   ALA  74          3HB       ALA  74  13.914 -13.645  -1.723
  562    H    SER  75           H        SER  75  13.689 -11.238  -4.814
  563    HA   SER  75           HA       SER  75  12.500 -12.595  -7.151
  564   1HB   SER  75          2HB       SER  75  11.303 -10.460  -6.764
  565   2HB   SER  75          1HB       SER  75  12.833  -9.590  -6.849
  566    HG   SER  75           HG       SER  75  11.654  -9.579  -8.840
  567    H    ARG  76           H        ARG  76  13.705 -11.508  -9.218
  568    HA   ARG  76           HA       ARG  76  16.239 -12.657  -9.306
  569   1HB   ARG  76          2HB       ARG  76  14.747 -12.111 -11.246
  570   2HB   ARG  76          1HB       ARG  76  15.206 -10.425 -11.071
  571   1HG   ARG  76          2HG       ARG  76  16.465 -11.401 -12.856
  572   2HG   ARG  76          1HG       ARG  76  17.560 -11.063 -11.515
  573   1HD   ARG  76          2HD       ARG  76  17.913 -13.289 -11.063
  574   2HD   ARG  76          1HD       ARG  76  16.326 -13.775 -11.663
  575    HE   ARG  76           HE       ARG  76  17.479 -13.039 -13.922
  576   1HH1  ARG  76          1HH1      ARG  76  18.837 -14.900 -11.353
  577   2HH1  ARG  76          2HH1      ARG  76  19.806 -15.853 -12.425
  578   1HH2  ARG  76          1HH2      ARG  76  18.697 -14.276 -15.270
  579   2HH2  ARG  76          2HH2      ARG  76  19.727 -15.504 -14.620
  580    H    GLY  77           H        GLY  77  17.843 -12.026  -7.947
  581   1HA   GLY  77          2HA       GLY  77  19.723 -10.331  -8.032
  582   2HA   GLY  77          1HA       GLY  77  18.469  -9.134  -7.745
  583    H    GLY  78           H        GLY  78  17.218 -11.365  -5.942
  584   1HA   GLY  78          2HA       GLY  78  17.675 -12.260  -3.782
  585   2HA   GLY  78          1HA       GLY  78  19.060 -11.190  -3.650
  586    H    ALA  79           H        ALA  79  16.712  -9.254  -4.811
  587    HA   ALA  79           HA       ALA  79  16.272  -7.875  -2.380
  588   1HB   ALA  79          1HB       ALA  79  14.781  -6.449  -3.666
  589   2HB   ALA  79          2HB       ALA  79  14.739  -7.634  -4.971
  590   3HB   ALA  79          3HB       ALA  79  16.242  -6.791  -4.593
  591    H    ARG  80           H        ARG  80  14.520  -7.786  -1.000
  592    HA   ARG  80           HA       ARG  80  12.648 -10.058  -1.168
  593   1HB   ARG  80          2HB       ARG  80  13.307  -8.321   1.225
  594   2HB   ARG  80          1HB       ARG  80  12.388  -9.820   1.241
  595   1HG   ARG  80          2HG       ARG  80  15.285  -9.630   0.428
  596   2HG   ARG  80          1HG       ARG  80  14.746 -10.001   2.064
  597   1HD   ARG  80          2HD       ARG  80  13.963 -11.627  -0.358
  598   2HD   ARG  80          1HD       ARG  80  15.371 -11.985   0.642
  599    HE   ARG  80           HE       ARG  80  13.148 -11.808   2.321
  600   1HH1  ARG  80          1HH1      ARG  80  14.344 -13.834  -0.203
  601   2HH1  ARG  80          2HH1      ARG  80  13.522 -15.234   0.386
  602   1HH2  ARG  80          1HH2      ARG  80  12.135 -13.621   3.089
  603   2HH2  ARG  80          2HH2      ARG  80  12.288 -15.116   2.232
  604    H    PHE  81           H        PHE  81  10.710  -9.530  -2.024
  605    HA   PHE  81           HA       PHE  81   9.545  -6.884  -1.434
  606   1HB   PHE  81          2HB       PHE  81   8.929  -8.840  -3.665
  607   2HB   PHE  81          1HB       PHE  81   8.058  -7.336  -3.391
  608    HD1  PHE  81           HD1      PHE  81  11.197  -8.833  -4.542
  609    HD2  PHE  81           HD2      PHE  81   9.066  -5.197  -3.915
  610    HE1  PHE  81           HE1      PHE  81  12.834  -7.638  -5.933
  611    HE2  PHE  81           HE2      PHE  81  10.705  -3.995  -5.303
  612    HZ   PHE  81           HZ       PHE  81  12.593  -5.215  -6.315
  613    HA   PRO  82           HA       PRO  82   6.773  -9.252   1.254
  614   1HB   PRO  82          2HB       PRO  82   5.398  -7.091   2.203
  615   2HB   PRO  82          1HB       PRO  82   6.981  -7.584   2.815
  616   1HG   PRO  82          2HG       PRO  82   6.300  -5.448   0.825
  617   2HG   PRO  82          1HG       PRO  82   7.449  -5.395   2.177
  618   1HD   PRO  82          2HD       PRO  82   8.248  -5.789  -0.378
  619   2HD   PRO  82          1HD       PRO  82   9.084  -6.541   0.997
  620    H    HIS  83           H        HIS  83   5.470 -10.357  -0.155
  621    HA   HIS  83           HA       HIS  83   3.296  -8.922  -1.518
  622   1HB   HIS  83          2HB       HIS  83   4.342 -11.749  -1.775
  623   2HB   HIS  83          1HB       HIS  83   2.867 -11.203  -2.562
  624    HD1  HIS  83           HD1      HIS  83   6.095 -11.923  -3.488
  625    HD2  HIS  83           HD2      HIS  83   3.696  -8.585  -4.100
  626    HE1  HIS  83           HE1      HIS  83   7.059 -10.762  -5.491
  627    HE2  HIS  83           HE2      HIS  83   5.382  -8.974  -6.030
  628    H    LEU  84           H        LEU  84   1.257  -8.958  -0.752
  629    HA   LEU  84           HA       LEU  84   0.610 -10.727   1.498
  630   1HB   LEU  84          2HB       LEU  84   0.096  -8.285   1.640
  631   2HB   LEU  84          1HB       LEU  84  -1.040  -8.480   0.316
  632    HG   LEU  84           HG       LEU  84  -2.341 -10.081   1.731
  633   1HD1  LEU  84          1HD1      LEU  84  -1.910 -10.108   4.158
  634   2HD1  LEU  84          2HD1      LEU  84  -0.419  -9.204   3.888
  635   3HD1  LEU  84          3HD1      LEU  84  -0.598 -10.831   3.228
  636   1HD2  LEU  84          1HD2      LEU  84  -1.967  -7.345   2.947
  637   2HD2  LEU  84          2HD2      LEU  84  -3.373  -8.398   3.136
  638   3HD2  LEU  84          3HD2      LEU  84  -2.983  -7.723   1.555
  639    H    TYR  85           H        TYR  85  -0.948 -12.329   1.398
  640    HA   TYR  85           HA       TYR  85  -1.766 -13.045  -1.341
  641   1HB   TYR  85          2HB       TYR  85  -1.381 -14.821   1.083
  642   2HB   TYR  85          1HB       TYR  85  -1.809 -15.374  -0.536
  643    HD1  TYR  85           HD1      TYR  85   0.877 -13.877   1.510
  644    HD2  TYR  85           HD2      TYR  85  -0.141 -15.529  -2.280
  645    HE1  TYR  85           HE1      TYR  85   3.256 -13.957   0.911
  646    HE2  TYR  85           HE2      TYR  85   2.241 -15.614  -2.885
  647    HH   TYR  85           HH       TYR  85   4.342 -14.511  -2.274
  648    H    ARG  86           H        ARG  86  -3.208 -11.461   0.982
  649    HA   ARG  86           HA       ARG  86  -5.841 -12.453   0.175
  650   1HB   ARG  86          2HB       ARG  86  -5.049 -11.926   3.056
  651   2HB   ARG  86          1HB       ARG  86  -6.718 -12.064   2.512
  652   1HG   ARG  86          2HG       ARG  86  -5.963 -14.363   1.573
  653   2HG   ARG  86          1HG       ARG  86  -4.601 -14.174   2.676
  654   1HD   ARG  86          2HD       ARG  86  -7.473 -13.942   3.571
  655   2HD   ARG  86          1HD       ARG  86  -6.609 -15.475   3.542
  656    HE   ARG  86           HE       ARG  86  -4.960 -14.041   5.023
  657   1HH1  ARG  86          1HH1      ARG  86  -8.392 -14.222   5.152
  658   2HH1  ARG  86          2HH1      ARG  86  -8.458 -13.961   6.858
  659   1HH2  ARG  86          1HH2      ARG  86  -5.038 -13.739   7.223
  660   2HH2  ARG  86          2HH2      ARG  86  -6.571 -13.705   8.028
  661    HA   PRO  87           HA       PRO  87  -6.837  -8.210  -0.602
  662   1HB   PRO  87          2HB       PRO  87  -9.375  -8.016   0.532
  663   2HB   PRO  87          1HB       PRO  87  -9.023  -8.625  -1.088
  664   1HG   PRO  87          2HG       PRO  87  -9.495 -10.142   1.447
  665   2HG   PRO  87          1HG       PRO  87 -10.050 -10.505  -0.199
  666   1HD   PRO  87          2HD       PRO  87  -7.986 -11.822   0.884
  667   2HD   PRO  87          1HD       PRO  87  -7.980 -11.377  -0.836
  668    H    LEU  88           H        LEU  88  -6.301  -6.323   0.364
  669    HA   LEU  88           HA       LEU  88  -5.728  -6.319   3.194
  670   1HB   LEU  88          2HB       LEU  88  -4.175  -5.313   1.601
  671   2HB   LEU  88          1HB       LEU  88  -5.406  -4.175   1.087
  672    HG   LEU  88           HG       LEU  88  -5.390  -3.172   3.363
  673   1HD1  LEU  88          1HD1      LEU  88  -4.632  -5.092   4.648
  674   2HD1  LEU  88          2HD1      LEU  88  -3.561  -3.715   4.901
  675   3HD1  LEU  88          3HD1      LEU  88  -3.062  -5.035   3.843
  676   1HD2  LEU  88          1HD2      LEU  88  -2.714  -3.256   1.964
  677   2HD2  LEU  88          2HD2      LEU  88  -3.223  -2.038   3.133
  678   3HD2  LEU  88          3HD2      LEU  88  -4.059  -2.178   1.588
  679    H    LEU  89           H        LEU  89  -7.453  -6.110   4.523
  680    HA   LEU  89           HA       LEU  89  -9.778  -4.585   4.025
  681   1HB   LEU  89          2HB       LEU  89  -8.551  -5.631   6.578
  682   2HB   LEU  89          1HB       LEU  89 -10.046  -4.717   6.575
  683    HG   LEU  89           HG       LEU  89 -10.495  -7.104   6.709
  684   1HD1  LEU  89          1HD1      LEU  89 -12.100  -5.673   5.544
  685   2HD1  LEU  89          2HD1      LEU  89 -12.079  -7.306   4.880
  686   3HD1  LEU  89          3HD1      LEU  89 -11.279  -5.993   4.016
  687   1HD2  LEU  89          1HD2      LEU  89  -9.962  -8.625   4.882
  688   2HD2  LEU  89          2HD2      LEU  89  -8.493  -7.941   5.580
  689   3HD2  LEU  89          3HD2      LEU  89  -9.104  -7.335   4.038
  690    H    VAL  90           H        VAL  90 -10.084  -2.437   4.040
  691    HA   VAL  90           HA       VAL  90  -8.099  -0.544   4.531
  692    HB   VAL  90           HB       VAL  90 -11.108  -0.210   4.545
  693   1HG1  VAL  90          1HG1      VAL  90 -10.687   2.202   4.191
  694   2HG1  VAL  90          2HG1      VAL  90  -8.970   1.925   4.487
  695   3HG1  VAL  90          3HG1      VAL  90 -10.142   1.646   5.774
  696   1HG2  VAL  90          1HG2      VAL  90  -9.026   0.326   2.417
  697   2HG2  VAL  90          2HG2      VAL  90 -10.748   0.682   2.274
  698   3HG2  VAL  90          3HG2      VAL  90 -10.203  -0.989   2.422
  699    H    SER  91           H        SER  91 -10.576  -1.800   6.722
  700    HA   SER  91           HA       SER  91 -10.058   0.086   8.818
  701   1HB   SER  91          2HB       SER  91 -12.230  -1.111   8.536
  702   2HB   SER  91          1HB       SER  91 -11.435  -2.605   9.026
  703    HG   SER  91           HG       SER  91 -10.858  -0.835  10.888
  704    H    GLU  92           H        GLU  92  -8.186  -2.445   7.733
  705    HA   GLU  92           HA       GLU  92  -7.100  -3.118  10.383
  706   1HB   GLU  92          2HB       GLU  92  -7.681  -4.942   8.763
  707   2HB   GLU  92          1HB       GLU  92  -6.437  -4.332   7.684
  708   1HG   GLU  92          2HG       GLU  92  -5.578  -6.226   8.865
  709   2HG   GLU  92          1HG       GLU  92  -4.747  -4.781   9.434
  710    H    VAL  93           H        VAL  93  -6.507  -0.992   7.823
  711    HA   VAL  93           HA       VAL  93  -3.659  -0.993   7.771
  712    HB   VAL  93           HB       VAL  93  -5.573   1.221   6.980
  713   1HG1  VAL  93          1HG1      VAL  93  -2.665   0.803   6.269
  714   2HG1  VAL  93          2HG1      VAL  93  -3.319   2.076   7.301
  715   3HG1  VAL  93          3HG1      VAL  93  -3.719   2.041   5.584
  716   1HG2  VAL  93          1HG2      VAL  93  -5.259   0.358   4.682
  717   2HG2  VAL  93          2HG2      VAL  93  -6.038  -0.816   5.743
  718   3HG2  VAL  93          3HG2      VAL  93  -4.331  -0.994   5.336
  719    H    THR  94           H        THR  94  -2.172   0.119   8.962
  720    HA   THR  94           HA       THR  94  -2.858   1.072  11.536
  721    HB   THR  94           HB       THR  94  -0.274   1.528  10.015
  722    HG1  THR  94           HG1      THR  94  -0.170  -0.354  11.952
  723   1HG2  THR  94          1HG2      THR  94  -0.891   1.668  12.976
  724   2HG2  THR  94          2HG2      THR  94  -0.449   3.020  11.932
  725   3HG2  THR  94          3HG2      THR  94   0.724   1.748  12.272
  726    H    ARG  95           H        ARG  95  -1.785   2.809   8.616
  727    HA   ARG  95           HA       ARG  95  -3.258   5.173   9.426
  728   1HB   ARG  95          2HB       ARG  95  -1.113   5.436  10.620
  729   2HB   ARG  95          1HB       ARG  95  -0.253   5.289   9.098
  730   1HG   ARG  95          2HG       ARG  95  -0.324   7.595   9.632
  731   2HG   ARG  95          1HG       ARG  95  -1.474   7.343   8.317
  732   1HD   ARG  95          2HD       ARG  95  -2.455   8.802   9.975
  733   2HD   ARG  95          1HD       ARG  95  -3.304   7.257   9.978
  734    HE   ARG  95           HE       ARG  95  -1.183   7.756  11.948
  735   1HH1  ARG  95          1HH1      ARG  95  -4.507   7.143  11.234
  736   2HH1  ARG  95          2HH1      ARG  95  -4.921   6.902  12.894
  737   1HH2  ARG  95          1HH2      ARG  95  -1.746   7.427  14.072
  738   2HH2  ARG  95          2HH2      ARG  95  -3.396   7.068  14.469
  739    H    GLU  96           H        GLU  96  -3.820   6.433   7.744
  740    HA   GLU  96           HA       GLU  96  -2.821   5.750   5.067
  741   1HB   GLU  96          2HB       GLU  96  -4.691   7.200   4.244
  742   2HB   GLU  96          1HB       GLU  96  -5.224   5.809   5.176
  743   1HG   GLU  96          2HG       GLU  96  -5.629   7.212   7.110
  744   2HG   GLU  96          1HG       GLU  96  -4.986   8.616   6.260
  745    H    ALA  97           H        ALA  97  -0.789   6.715   5.125
  746    HA   ALA  97           HA       ALA  97  -0.414   9.315   6.276
  747   1HB   ALA  97          1HB       ALA  97   1.278   7.547   6.470
  748   2HB   ALA  97          2HB       ALA  97   1.930   9.023   5.757
  749   3HB   ALA  97          3HB       ALA  97   1.557   7.637   4.731
  750    H    ASP  98           H        ASP  98  -1.785  10.632   4.948
  751    HA   ASP  98           HA       ASP  98  -1.243  11.154   2.216
  752   1HB   ASP  98          2HB       ASP  98  -3.331  11.855   3.328
  753   2HB   ASP  98          1HB       ASP  98  -2.424  12.974   4.338
  754    H    LEU  99           H        LEU  99   0.169  12.616   1.246
  755    HA   LEU  99           HA       LEU  99   1.935  14.185   2.983
  756   1HB   LEU  99          2HB       LEU  99   3.955  13.372   1.899
  757   2HB   LEU  99          1HB       LEU  99   3.100  12.066   2.691
  758    HG   LEU  99           HG       LEU  99   2.863  12.564  -0.281
  759   1HD1  LEU  99          1HD1      LEU  99   5.226  12.220   0.245
  760   2HD1  LEU  99          2HD1      LEU  99   4.557  10.836  -0.617
  761   3HD1  LEU  99          3HD1      LEU  99   4.823  10.745   1.125
  762   1HD2  LEU  99          1HD2      LEU  99   1.128  11.159   0.739
  763   2HD2  LEU  99          2HD2      LEU  99   2.373  10.105   1.411
  764   3HD2  LEU  99          3HD2      LEU  99   2.165  10.223  -0.338
  765    H    ASP 100           H        ASP 100   2.747  16.034   2.094
  766    HA   ASP 100           HA       ASP 100   1.817  16.834  -0.544
  767   1HB   ASP 100          2HB       ASP 100   3.367  18.324   1.593
  768   2HB   ASP 100          1HB       ASP 100   2.873  19.028   0.055
  769    H    LEU 101           H        LEU 101   3.053  16.938  -2.337
  770    HA   LEU 101           HA       LEU 101   5.513  15.498  -2.365
  771   1HB   LEU 101          2HB       LEU 101   4.200  17.133  -4.540
  772   2HB   LEU 101          1HB       LEU 101   5.544  16.032  -4.777
  773    HG   LEU 101           HG       LEU 101   2.757  15.256  -3.893
  774   1HD1  LEU 101          1HD1      LEU 101   2.866  15.903  -6.241
  775   2HD1  LEU 101          2HD1      LEU 101   2.603  14.168  -6.069
  776   3HD1  LEU 101          3HD1      LEU 101   4.202  14.778  -6.499
  777   1HD2  LEU 101          1HD2      LEU 101   3.544  12.944  -4.127
  778   2HD2  LEU 101          2HD2      LEU 101   4.430  13.809  -2.873
  779   3HD2  LEU 101          3HD2      LEU 101   5.177  13.532  -4.446
  780    H    ASP 102           H        ASP 102   7.595  16.194  -2.875
  781    HA   ASP 102           HA       ASP 102   8.502  18.679  -1.923
  782   1HB   ASP 102          2HB       ASP 102   9.863  16.581  -2.214
  783   2HB   ASP 102          1HB       ASP 102   9.864  16.876  -3.947
  784    H    ALA 103           H        ALA 103   9.706  20.333  -3.295
  785    HA   ALA 103           HA       ALA 103   8.014  21.531  -5.200
  786   1HB   ALA 103          1HB       ALA 103   9.666  22.773  -3.870
  787   2HB   ALA 103          2HB       ALA 103   9.829  23.102  -5.595
  788   3HB   ALA 103          3HB       ALA 103  10.967  22.019  -4.790
  789    H    ASP 104           H        ASP 104  10.519  19.157  -5.561
  790    HA   ASP 104           HA       ASP 104  10.764  19.466  -8.433
  791   1HB   ASP 104          2HB       ASP 104  12.663  18.747  -6.946
  792   2HB   ASP 104          1HB       ASP 104  11.798  17.245  -6.640
  793    H    GLY 105           H        GLY 105   8.571  18.065  -6.332
  794   1HA   GLY 105          2HA       GLY 105   6.614  16.922  -6.880
  795   2HA   GLY 105          1HA       GLY 105   7.292  16.574  -8.459
  796    H    VAL 106           H        VAL 106   8.992  15.882  -5.471
  797    HA   VAL 106           HA       VAL 106   8.904  13.023  -6.167
  798    HB   VAL 106           HB       VAL 106  10.860  14.519  -4.405
  799   1HG1  VAL 106          1HG1      VAL 106  10.657  12.229  -3.655
  800   2HG1  VAL 106          2HG1      VAL 106  12.191  12.427  -4.503
  801   3HG1  VAL 106          3HG1      VAL 106  10.835  11.634  -5.306
  802   1HG2  VAL 106          1HG2      VAL 106  11.078  15.118  -6.763
  803   2HG2  VAL 106          2HG2      VAL 106  11.186  13.413  -7.201
  804   3HG2  VAL 106          3HG2      VAL 106  12.459  14.156  -6.233
  805    HA   PRO 107           HA       PRO 107   6.585  12.337  -2.312
  806   1HB   PRO 107          2HB       PRO 107   6.305   9.651  -2.656
  807   2HB   PRO 107          1HB       PRO 107   5.270  10.830  -3.472
  808   1HG   PRO 107          2HG       PRO 107   7.667   9.365  -4.525
  809   2HG   PRO 107          1HG       PRO 107   6.112   9.675  -5.318
  810   1HD   PRO 107          2HD       PRO 107   8.337  11.143  -5.829
  811   2HD   PRO 107          1HD       PRO 107   6.702  11.830  -5.908
  812    H    GLN 108           H        GLN 108   8.535  12.914  -1.155
  813    HA   GLN 108           HA       GLN 108  10.685  11.015  -0.882
  814   1HB   GLN 108          2HB       GLN 108  11.699  12.736   0.569
  815   2HB   GLN 108          1HB       GLN 108  11.181  13.378  -0.982
  816   1HG   GLN 108          2HG       GLN 108   9.075  14.159   0.188
  817   2HG   GLN 108          1HG       GLN 108   9.874  13.749   1.703
  818   1HE2  GLN 108          1HE2      GLN 108  11.413  15.151  -1.147
  819   2HE2  GLN 108          2HE2      GLN 108  11.795  16.662  -0.414
  820    H    LEU 109           H        LEU 109  10.607   9.326   0.428
  821    HA   LEU 109           HA       LEU 109   8.808   9.277   2.716
  822   1HB   LEU 109          2HB       LEU 109  10.345   7.238   1.185
  823   2HB   LEU 109          1HB       LEU 109   9.945   6.866   2.851
  824    HG   LEU 109           HG       LEU 109   7.577   7.076   2.390
  825   1HD1  LEU 109          1HD1      LEU 109   7.670   8.877   0.755
  826   2HD1  LEU 109          2HD1      LEU 109   6.719   7.518   0.157
  827   3HD1  LEU 109          3HD1      LEU 109   8.361   7.773  -0.437
  828   1HD2  LEU 109          1HD2      LEU 109   8.949   5.378   0.303
  829   2HD2  LEU 109          2HD2      LEU 109   7.286   5.192   0.862
  830   3HD2  LEU 109          3HD2      LEU 109   8.625   4.910   1.973
  831    H    GLY 110           H        GLY 110  12.252   9.506   2.128
  832   1HA   GLY 110          2HA       GLY 110  13.394   8.588   4.446
  833   2HA   GLY 110          1HA       GLY 110  13.989   9.986   3.569
  834    H    ASP 111           H        ASP 111  12.021  11.847   4.002
  835    HA   ASP 111           HA       ASP 111  12.532  12.761   6.622
  836   1HB   ASP 111          2HB       ASP 111  12.039  14.319   4.830
  837   2HB   ASP 111          1HB       ASP 111  10.440  13.616   4.605
  838    H    HIS 112           H        HIS 112   9.768  11.022   5.226
  839    HA   HIS 112           HA       HIS 112   8.118  11.426   7.553
  840   1HB   HIS 112          2HB       HIS 112   7.154  11.312   5.303
  841   2HB   HIS 112          1HB       HIS 112   7.728   9.658   5.127
  842    HD1  HIS 112           HD1      HIS 112   5.272  11.677   7.197
  843    HD2  HIS 112           HD2      HIS 112   6.017   7.759   6.040
  844    HE1  HIS 112           HE1      HIS 112   3.303  10.354   8.020
  845    HE2  HIS 112           HE2      HIS 112   3.845   7.967   7.447
  846    H    LEU 113           H        LEU 113  10.397   9.019   6.525
  847    HA   LEU 113           HA       LEU 113   9.350   7.041   8.412
  848   1HB   LEU 113          2HB       LEU 113  11.684   6.798   6.509
  849   2HB   LEU 113          1HB       LEU 113  10.955   5.496   7.432
  850    HG   LEU 113           HG       LEU 113   9.722   7.022   5.134
  851   1HD1  LEU 113          1HD1      LEU 113  10.453   4.110   5.443
  852   2HD1  LEU 113          2HD1      LEU 113  11.332   5.307   4.490
  853   3HD1  LEU 113          3HD1      LEU 113   9.694   4.848   4.030
  854   1HD2  LEU 113          1HD2      LEU 113   8.002   6.625   6.801
  855   2HD2  LEU 113          2HD2      LEU 113   8.459   4.925   6.901
  856   3HD2  LEU 113          3HD2      LEU 113   7.761   5.565   5.412
  857    H    ALA 114           H        ALA 114  12.779   7.016   7.897
  858    HA   ALA 114           HA       ALA 114  14.593   7.473   9.165
  859   1HB   ALA 114          1HB       ALA 114  12.837   9.403  10.669
  860   2HB   ALA 114          2HB       ALA 114  13.717   9.766   9.184
  861   3HB   ALA 114          3HB       ALA 114  14.601   9.365  10.657
  862    H    LEU 115           H        LEU 115  11.666   6.654  10.964
  863    HA   LEU 115           HA       LEU 115  11.275   5.681  12.981
  864   1HB   LEU 115          2HB       LEU 115  14.010   4.482  12.487
  865   2HB   LEU 115          1HB       LEU 115  12.879   3.930  13.710
  866    HG   LEU 115           HG       LEU 115  12.456   3.813  10.714
  867   1HD1  LEU 115          1HD1      LEU 115  14.080   2.180  11.504
  868   2HD1  LEU 115          2HD1      LEU 115  12.581   1.387  11.023
  869   3HD1  LEU 115          3HD1      LEU 115  12.946   1.619  12.734
  870   1HD2  LEU 115          1HD2      LEU 115  10.423   2.525  11.272
  871   2HD2  LEU 115          2HD2      LEU 115  10.340   4.197  11.824
  872   3HD2  LEU 115          3HD2      LEU 115  10.670   2.903  12.977
  873    H    GLU 116           H        GLU 116  12.651   8.279  12.855
  874    HA   GLU 116           HA       GLU 116  13.607   8.416  15.616
  875   1HB   GLU 116          2HB       GLU 116  15.649   8.124  14.323
  876   2HB   GLU 116          1HB       GLU 116  15.181   9.416  13.227
  877   1HG   GLU 116          2HG       GLU 116  16.827  10.298  14.684
  878   2HG   GLU 116          1HG       GLU 116  15.285  10.992  15.173