*HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-FEB-09 2KFP *TITLE SOLUTION NMR STRUCTURE OF PSPTO_3016 FROM PSEUDOMONAS *TITLE 2 SYRINGAE. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET *TITLE 3 PSR293. *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PSPTO_3016 PROTEIN; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE; *SOURCE 3 ORGANISM_TAXID: 323; *SOURCE 4 GENE: PSPTO3016, PSPTO_3016; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PMGK; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET21-23C *KEYWDS ALPHA, BETA, DOUBLE-WING, STRUCTURAL GENOMICS, PSI-2, *KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS *KEYWDS 3 CONSORTIUM, NESG, UNKNOWN FUNCTION *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR E.A.FELDMANN, T.A.RAMELOT, L.ZHAO, K.HAMILTON, C.CICCOSANTI, *AUTHOR 2 R.XIAO, R.NAIR, J.K.EVERETT, G.SWAPNA, T.B.ACTON, B.ROST, *AUTHOR 3 G.T.MONTELIONE, M.A.KENNEDY, NORTHEAST STRUCTURAL GENOMICS *AUTHOR 4 CONSORTIUM (NESG) *REVDAT 1 24-MAR-09 2KFP 0 assign (resid 1 and name HA )(resid 1 and name HE* ) 1.8 0.0 3.4 assign (resid 1 and name HA )(resid 1 and name HG* ) 1.8 0.0 1.99 assign (resid 1 and name HA )(resid 2 and name HN ) 1.8 0.0 1.84 assign (resid 1 and name HA )(resid 5 and name HB* ) 1.8 0.0 3 assign (resid 1 and name HB* )(resid 1 and name HE* ) 1.8 0.0 1.64 assign (resid 1 and name HB* )(resid 2 and name HN ) 1.8 0.0 2.68 assign (resid 1 and name HB* )(resid 96 and name HB* ) 1.8 0.0 3.47 assign (resid 1 and name HB* )(resid 96 and name HD2* ) 1.8 0.0 2.2 assign (resid 1 and name HB* )(resid 102 and name HB* ) 1.8 0.0 3 assign (resid 1 and name HB1 )(resid 105 and name HD1* ) 1.8 0.0 2.72 assign (resid 1 and name HB2 )(resid 105 and name HD1* ) 1.8 0.0 2.72 assign (resid 1 and name HE* )(resid 5 and name HB* ) 1.8 0.0 3 assign (resid 1 and name HE* )(resid 6 and name HA ) 1.8 0.0 2.15 assign (resid 1 and name HE* )(resid 6 and name HB* ) 1.8 0.0 2.94 assign (resid 1 and name HE* )(resid 6 and name HD* ) 1.8 0.0 2.62 assign (resid 1 and name HE* )(resid 6 and name HN ) 1.8 0.0 3.22 assign (resid 1 and name HE* )(resid 9 and name HB* ) 1.8 0.0 3.29 assign (resid 1 and name HE* )(resid 9 and name HD* ) 1.8 0.0 3.42 assign (resid 1 and name HE* )(resid 62 and name HD1* ) 1.8 0.0 4.05 assign (resid 1 and name HE* )(resid 96 and name HD2* ) 1.8 0.0 2.46 assign (resid 1 and name HE* )(resid 102 and name HA ) 1.8 0.0 1.81 assign (resid 1 and name HE* )(resid 102 and name HB* ) 1.8 0.0 2.13 assign (resid 1 and name HE* )(resid 105 and name HD1* ) 1.8 0.0 2.05 assign (resid 1 and name HE* )(resid 105 and name HG1* ) 1.8 0.0 3.21 assign (resid 1 and name HE* )(resid 105 and name HG2* ) 1.8 0.0 1.49 assign (resid 1 and name HE* )(resid 106 and name HD2 ) 1.8 0.0 1.99 assign (resid 1 and name HE* )(resid 106 and name HN ) 1.8 0.0 3.67 assign (resid 1 and name HE* )(resid 109 and name HD1* ) 1.8 0.0 2.48 assign (resid 1 and name HE* )(resid 109 and name HG1* ) 1.8 0.0 4.25 assign (resid 1 and name HG* )(resid 1 and name HE* ) 1.8 0.0 1.61 assign (resid 1 and name HG* )(resid 5 and name HB* ) 1.8 0.0 1.67 assign (resid 1 and name HG* )(resid 6 and name HN ) 1.8 0.0 2.89 assign (resid 1 and name HG* )(resid 96 and name HB* ) 1.8 0.0 3.9 assign (resid 1 and name HG* )(resid 96 and name HD1* ) 1.8 0.0 3.44 assign (resid 1 and name HG* )(resid 96 and name HD2* ) 1.8 0.0 2.39 assign (resid 1 and name HG* )(resid 102 and name HB* ) 1.8 0.0 3.72 assign (resid 1 and name HG* )(resid 105 and name HG2* ) 1.8 0.0 3.91 assign (resid 1 and name HG1 )(resid 2 and name HN ) 1.8 0.0 2.96 assign (resid 1 and name HG1 )(resid 5 and name HB1 ) 1.8 0.0 2.93 assign (resid 1 and name HG1 )(resid 5 and name HB2 ) 1.8 0.0 2.93 assign (resid 1 and name HG1 )(resid 105 and name HD1* ) 1.8 0.0 3.56 assign (resid 1 and name HG2 )(resid 2 and name HN ) 1.8 0.0 2.96 assign (resid 1 and name HG2 )(resid 5 and name HB1 ) 1.8 0.0 2.93 assign (resid 1 and name HG2 )(resid 5 and name HB2 ) 1.8 0.0 2.93 assign (resid 1 and name HG2 )(resid 105 and name HD1* ) 1.8 0.0 3.56 assign (resid 2 and name HA )(resid 3 and name HN ) 1.8 0.0 1.9 assign (resid 2 and name HA )(resid 96 and name HB* ) 1.8 0.0 3.09 assign (resid 2 and name HA )(resid 96 and name HD1* ) 1.8 0.0 3.15 assign (resid 2 and name HA )(resid 96 and name HD2* ) 1.8 0.0 3.4 assign (resid 2 and name HB* )(resid 3 and name HN ) 1.8 0.0 1.64 assign (resid 2 and name HD2* )(resid 5 and name HG* ) 1.8 0.0 3.07 assign (resid 2 and name HN )(resid 5 and name HB* ) 1.8 0.0 2.34 assign (resid 2 and name HN )(resid 5 and name HG1 ) 1.8 0.0 3.55 assign (resid 2 and name HN )(resid 5 and name HG2 ) 1.8 0.0 3.55 assign (resid 2 and name HN )(resid 96 and name HD2* ) 1.8 0.0 4.07 assign (resid 3 and name HA )(resid 3 and name HD* ) 1.8 0.0 3.51 assign (resid 3 and name HA )(resid 6 and name HB1 ) 1.8 0.0 3.48 assign (resid 3 and name HA )(resid 6 and name HB2 ) 1.8 0.0 3.48 assign (resid 3 and name HA )(resid 43 and name HD1* ) 1.8 0.0 3.22 assign (resid 3 and name HA )(resid 43 and name HD2* ) 1.8 0.0 2.79 assign (resid 3 and name HA )(resid 96 and name HD1* ) 1.8 0.0 2.01 assign (resid 3 and name HA )(resid 96 and name HD2* ) 1.8 0.0 3.57 assign (resid 3 and name HB* )(resid 3 and name HD* ) 1.8 0.0 1.75 assign (resid 3 and name HB* )(resid 3 and name HE ) 1.8 0.0 2.59 assign (resid 3 and name HB* )(resid 4 and name HN ) 1.8 0.0 1.93 assign (resid 3 and name HB* )(resid 96 and name HD1* ) 1.8 0.0 2.72 assign (resid 3 and name HB2 )(resid 43 and name HD1* ) 1.8 0.0 2.96 assign (resid 3 and name HD* )(resid 43 and name HD1* ) 1.8 0.0 2.77 assign (resid 3 and name HD* )(resid 43 and name HD2* ) 1.8 0.0 3.01 assign (resid 3 and name HD1 )(resid 7 and name HD1* ) 1.8 0.0 4.25 assign (resid 3 and name HD2 )(resid 7 and name HD1* ) 1.8 0.0 4.25 assign (resid 3 and name HE )(resid 7 and name HD1* ) 1.8 0.0 4.25 assign (resid 3 and name HE )(resid 43 and name HD1* ) 1.8 0.0 3.13 assign (resid 3 and name HE )(resid 43 and name HD2* ) 1.8 0.0 4.25 assign (resid 3 and name HG* )(resid 4 and name HN ) 1.8 0.0 2.28 assign (resid 3 and name HG* )(resid 43 and name HD2* ) 1.8 0.0 1.74 assign (resid 3 and name HG1 )(resid 7 and name HD1* ) 1.8 0.0 4.11 assign (resid 3 and name HG1 )(resid 43 and name HD1* ) 1.8 0.0 2.55 assign (resid 3 and name HG2 )(resid 7 and name HD1* ) 1.8 0.0 4.11 assign (resid 3 and name HG2 )(resid 43 and name HD1* ) 1.8 0.0 2.55 assign (resid 3 and name HN )(resid 3 and name HB* ) 1.8 0.0 1.89 assign (resid 3 and name HN )(resid 3 and name HG1 ) 1.8 0.0 4.1 assign (resid 3 and name HN )(resid 3 and name HG2 ) 1.8 0.0 4.1 assign (resid 3 and name HN )(resid 4 and name HN ) 1.8 0.0 2.31 assign (resid 3 and name HN )(resid 96 and name HD1* ) 1.8 0.0 2.85 assign (resid 4 and name HA )(resid 4 and name HE2* ) 1.8 0.0 3.33 assign (resid 4 and name HA )(resid 7 and name HB ) 1.8 0.0 2.43 assign (resid 4 and name HA )(resid 7 and name HD1* ) 1.8 0.0 2.92 assign (resid 4 and name HA )(resid 7 and name HG2* ) 1.8 0.0 2.74 assign (resid 4 and name HA )(resid 7 and name HN ) 1.8 0.0 3.2 assign (resid 4 and name HA )(resid 8 and name HN ) 1.8 0.0 3.26 assign (resid 4 and name HB* )(resid 4 and name HE2* ) 1.8 0.0 3.27 assign (resid 4 and name HB* )(resid 5 and name HG* ) 1.8 0.0 3.01 assign (resid 4 and name HB* )(resid 5 and name HN ) 1.8 0.0 2.79 assign (resid 4 and name HE2* )(resid 7 and name HG1* ) 1.8 0.0 3.06 assign (resid 4 and name HE2* )(resid 7 and name HG2* ) 1.8 0.0 2.05 assign (resid 4 and name HE2* )(resid 8 and name HN ) 1.8 0.0 4.07 assign (resid 4 and name HE21 )(resid 7 and name HB ) 1.8 0.0 4.25 assign (resid 4 and name HE22 )(resid 7 and name HB ) 1.8 0.0 4.25 assign (resid 4 and name HG* )(resid 4 and name HE2* ) 1.8 0.0 1.91 assign (resid 4 and name HG* )(resid 8 and name HN ) 1.8 0.0 3.18 assign (resid 4 and name HG1 )(resid 5 and name HN ) 1.8 0.0 4.25 assign (resid 4 and name HG2 )(resid 5 and name HN ) 1.8 0.0 4.25 assign (resid 4 and name HN )(resid 4 and name HB* ) 1.8 0.0 1.43 assign (resid 4 and name HN )(resid 4 and name HG1 ) 1.8 0.0 4.17 assign (resid 4 and name HN )(resid 4 and name HG2 ) 1.8 0.0 4.17 assign (resid 4 and name HN )(resid 5 and name HN ) 1.8 0.0 1.79 assign (resid 5 and name HA )(resid 5 and name HG* ) 1.8 0.0 1.63 assign (resid 5 and name HA )(resid 8 and name HB* ) 1.8 0.0 2.71 assign (resid 5 and name HA )(resid 8 and name HN ) 1.8 0.0 2.93 assign (resid 5 and name HB1 )(resid 6 and name HN ) 1.8 0.0 2.62 assign (resid 5 and name HB2 )(resid 6 and name HN ) 1.8 0.0 2.62 assign (resid 5 and name HG* )(resid 5 and name HE2* ) 1.8 0.0 1.74 assign (resid 5 and name HG* )(resid 6 and name HN ) 1.8 0.0 4.07 assign (resid 5 and name HN )(resid 5 and name HB* ) 1.8 0.0 1.87 assign (resid 5 and name HN )(resid 5 and name HG* ) 1.8 0.0 1.83 assign (resid 5 and name HN )(resid 6 and name HN ) 1.8 0.0 2.09 assign (resid 6 and name HA )(resid 6 and name HD* ) 1.8 0.0 2.46 assign (resid 6 and name HA )(resid 9 and name HB* ) 1.8 0.0 2.5 assign (resid 6 and name HA )(resid 9 and name HN ) 1.8 0.0 2.26 assign (resid 6 and name HA )(resid 10 and name HB* ) 1.8 0.0 4.16 assign (resid 6 and name HA )(resid 10 and name HN ) 1.8 0.0 3.18 assign (resid 6 and name HA )(resid 43 and name HD1* ) 1.8 0.0 4.25 assign (resid 6 and name HA )(resid 109 and name HD1* ) 1.8 0.0 4.25 assign (resid 6 and name HB* )(resid 7 and name HN ) 1.8 0.0 2.58 assign (resid 6 and name HB* )(resid 96 and name HD2* ) 1.8 0.0 3.38 assign (resid 6 and name HB* )(resid 109 and name HD1* ) 1.8 0.0 4.25 assign (resid 6 and name HB1 )(resid 96 and name HD1* ) 1.8 0.0 3 assign (resid 6 and name HB2 )(resid 96 and name HD1* ) 1.8 0.0 3 assign (resid 6 and name HD* )(resid 7 and name HA ) 1.8 0.0 3.09 assign (resid 6 and name HD* )(resid 7 and name HD1* ) 1.8 0.0 2.77 assign (resid 6 and name HD* )(resid 7 and name HN ) 1.8 0.0 2.88 assign (resid 6 and name HD* )(resid 10 and name HB* ) 1.8 0.0 2.96 assign (resid 6 and name HD* )(resid 29 and name HB* ) 1.8 0.0 3.92 assign (resid 6 and name HD* )(resid 43 and name HB* ) 1.8 0.0 3.74 assign (resid 6 and name HD* )(resid 43 and name HD1* ) 1.8 0.0 2.39 assign (resid 6 and name HD* )(resid 43 and name HD2* ) 1.8 0.0 2.69 assign (resid 6 and name HD* )(resid 62 and name HD1* ) 1.8 0.0 3.21 assign (resid 6 and name HD* )(resid 62 and name HG2* ) 1.8 0.0 3.3 assign (resid 6 and name HD* )(resid 96 and name HD2* ) 1.8 0.0 3.28 assign (resid 6 and name HD* )(resid 105 and name HG2* ) 1.8 0.0 3.24 assign (resid 6 and name HD* )(resid 109 and name HG2* ) 1.8 0.0 4.21 assign (resid 6 and name HE* )(resid 41 and name HB* ) 1.8 0.0 3.24 assign (resid 6 and name HE* )(resid 43 and name HD1* ) 1.8 0.0 3.3 assign (resid 6 and name HE* )(resid 43 and name HD2* ) 1.8 0.0 3.57 assign (resid 6 and name HE* )(resid 62 and name HD1* ) 1.8 0.0 2.71 assign (resid 6 and name HE* )(resid 62 and name HG2* ) 1.8 0.0 2.92 assign (resid 6 and name HE* )(resid 105 and name HG2* ) 1.8 0.0 3.37 assign (resid 6 and name HE* )(resid 109 and name HD1* ) 1.8 0.0 2.17 assign (resid 6 and name HE* )(resid 109 and name HG1* ) 1.8 0.0 4 assign (resid 6 and name HN )(resid 6 and name HB1 ) 1.8 0.0 2.05 assign (resid 6 and name HN )(resid 6 and name HB2 ) 1.8 0.0 2.05 assign (resid 6 and name HN )(resid 6 and name HD* ) 1.8 0.0 2.97 assign (resid 6 and name HN )(resid 7 and name HN ) 1.8 0.0 1.93 assign (resid 6 and name HN )(resid 43 and name HD1* ) 1.8 0.0 3.47 assign (resid 6 and name HN )(resid 96 and name HD1* ) 1.8 0.0 3.25 assign (resid 6 and name HZ )(resid 10 and name HB* ) 1.8 0.0 3.34 assign (resid 6 and name HZ )(resid 41 and name HB* ) 1.8 0.0 2.9 assign (resid 6 and name HZ )(resid 62 and name HG2* ) 1.8 0.0 3.53 assign (resid 6 and name HZ )(resid 64 and name HD2* ) 1.8 0.0 3.37 assign (resid 6 and name HZ )(resid 109 and name HD1* ) 1.8 0.0 3.9 assign (resid 6 and name HZ )(resid 109 and name HG2* ) 1.8 0.0 4.03 assign (resid 7 and name HA )(resid 7 and name HD1* ) 1.8 0.0 2.02 assign (resid 7 and name HA )(resid 7 and name HG1* ) 1.8 0.0 2.16 assign (resid 7 and name HA )(resid 7 and name HG2* ) 1.8 0.0 1.81 assign (resid 7 and name HA )(resid 10 and name HB* ) 1.8 0.0 2.27 assign (resid 7 and name HA )(resid 10 and name HN ) 1.8 0.0 2.68 assign (resid 7 and name HA )(resid 31 and name HE* ) 1.8 0.0 3.22 assign (resid 7 and name HA )(resid 31 and name HZ ) 1.8 0.0 3.14 assign (resid 7 and name HA )(resid 43 and name HD1* ) 1.8 0.0 3.57 assign (resid 7 and name HB )(resid 7 and name HD1* ) 1.8 0.0 1.85 assign (resid 7 and name HB )(resid 8 and name HB* ) 1.8 0.0 3.25 assign (resid 7 and name HB )(resid 8 and name HN ) 1.8 0.0 1.94 assign (resid 7 and name HD1* )(resid 8 and name HN ) 1.8 0.0 3.53 assign (resid 7 and name HD1* )(resid 18 and name HD* ) 1.8 0.0 3.78 assign (resid 7 and name HD1* )(resid 31 and name HD* ) 1.8 0.0 4.07 assign (resid 7 and name HD1* )(resid 31 and name HE* ) 1.8 0.0 3.19 assign (resid 7 and name HD1* )(resid 31 and name HZ ) 1.8 0.0 2.67 assign (resid 7 and name HD1* )(resid 43 and name HB* ) 1.8 0.0 2.72 assign (resid 7 and name HD1* )(resid 43 and name HD1* ) 1.8 0.0 2.15 assign (resid 7 and name HD1* )(resid 43 and name HD2* ) 1.8 0.0 3.58 assign (resid 7 and name HD1* )(resid 43 and name HG ) 1.8 0.0 3.98 assign (resid 7 and name HG1* )(resid 8 and name HN ) 1.8 0.0 3.44 assign (resid 7 and name HG1* )(resid 31 and name HZ ) 1.8 0.0 3.39 assign (resid 7 and name HG1* )(resid 43 and name HD1* ) 1.8 0.0 3.32 assign (resid 7 and name HG2* )(resid 7 and name HD1* ) 1.8 0.0 1.51 assign (resid 7 and name HG2* )(resid 8 and name HA ) 1.8 0.0 2.62 assign (resid 7 and name HG2* )(resid 8 and name HN ) 1.8 0.0 2.02 assign (resid 7 and name HG2* )(resid 11 and name HE21 ) 1.8 0.0 3.76 assign (resid 7 and name HG2* )(resid 11 and name HE22 ) 1.8 0.0 3.53 assign (resid 7 and name HG2* )(resid 11 and name HG* ) 1.8 0.0 2.68 assign (resid 7 and name HG2* )(resid 17 and name HA ) 1.8 0.0 4.25 assign (resid 7 and name HG2* )(resid 18 and name HD* ) 1.8 0.0 3.35 assign (resid 7 and name HG2* )(resid 18 and name HG* ) 1.8 0.0 3.41 assign (resid 7 and name HG2* )(resid 31 and name HZ ) 1.8 0.0 3.37 assign (resid 7 and name HN )(resid 7 and name HB ) 1.8 0.0 2.28 assign (resid 7 and name HN )(resid 7 and name HD1* ) 1.8 0.0 2.34 assign (resid 7 and name HN )(resid 7 and name HG1* ) 1.8 0.0 1.83 assign (resid 7 and name HN )(resid 8 and name HN ) 1.8 0.0 1.96 assign (resid 7 and name HN )(resid 43 and name HD1* ) 1.8 0.0 3.88 assign (resid 7 and name HN )(resid 96 and name HD1* ) 1.8 0.0 4.25 assign (resid 8 and name HA )(resid 11 and name HB1 ) 1.8 0.0 3.79 assign (resid 8 and name HA )(resid 11 and name HB2 ) 1.8 0.0 3.79 assign (resid 8 and name HA )(resid 11 and name HG* ) 1.8 0.0 2.28 assign (resid 8 and name HA )(resid 11 and name HN ) 1.8 0.0 2.75 assign (resid 8 and name HA )(resid 12 and name HN ) 1.8 0.0 4.2 assign (resid 8 and name HB* )(resid 9 and name HN ) 1.8 0.0 1.95 assign (resid 8 and name HN )(resid 8 and name HB1 ) 1.8 0.0 2.23 assign (resid 8 and name HN )(resid 8 and name HB2 ) 1.8 0.0 2.23 assign (resid 8 and name HN )(resid 9 and name HN ) 1.8 0.0 1.99 assign (resid 8 and name HN )(resid 11 and name HN ) 1.8 0.0 4.25 assign (resid 9 and name HA )(resid 9 and name HD* ) 1.8 0.0 2.27 assign (resid 9 and name HA )(resid 12 and name HB* ) 1.8 0.0 2.6 assign (resid 9 and name HA )(resid 12 and name HN ) 1.8 0.0 2.69 assign (resid 9 and name HB* )(resid 10 and name HN ) 1.8 0.0 1.9 assign (resid 9 and name HB* )(resid 109 and name HD1* ) 1.8 0.0 4.07 assign (resid 9 and name HD* )(resid 10 and name HN ) 1.8 0.0 2.63 assign (resid 9 and name HD* )(resid 109 and name HD1* ) 1.8 0.0 2.34 assign (resid 9 and name HD* )(resid 109 and name HG2* ) 1.8 0.0 3.04 assign (resid 9 and name HE* )(resid 13 and name HD* ) 1.8 0.0 3.67 assign (resid 9 and name HE* )(resid 13 and name HG* ) 1.8 0.0 3.45 assign (resid 9 and name HE* )(resid 14 and name HE* ) 1.8 0.0 3.08 assign (resid 9 and name HE* )(resid 106 and name HA ) 1.8 0.0 3.72 assign (resid 9 and name HE* )(resid 109 and name HD1* ) 1.8 0.0 2.18 assign (resid 9 and name HE* )(resid 109 and name HG1* ) 1.8 0.0 4.25 assign (resid 9 and name HE* )(resid 109 and name HG2* ) 1.8 0.0 2.17 assign (resid 9 and name HN )(resid 9 and name HB1 ) 1.8 0.0 1.82 assign (resid 9 and name HN )(resid 9 and name HB2 ) 1.8 0.0 1.82 assign (resid 9 and name HN )(resid 9 and name HD* ) 1.8 0.0 2.95 assign (resid 9 and name HN )(resid 10 and name HB* ) 1.8 0.0 3.02 assign (resid 9 and name HN )(resid 10 and name HN ) 1.8 0.0 1.87 assign (resid 9 and name HN )(resid 11 and name HN ) 1.8 0.0 3.26 assign (resid 10 and name HA )(resid 13 and name HB* ) 1.8 0.0 3.03 assign (resid 10 and name HA )(resid 13 and name HN ) 1.8 0.0 3.14 assign (resid 10 and name HA )(resid 14 and name HD* ) 1.8 0.0 2.15 assign (resid 10 and name HA )(resid 14 and name HE* ) 1.8 0.0 3.22 assign (resid 10 and name HA )(resid 14 and name HN ) 1.8 0.0 2.81 assign (resid 10 and name HB* )(resid 11 and name HB* ) 1.8 0.0 4.25 assign (resid 10 and name HB* )(resid 11 and name HE21 ) 1.8 0.0 4.25 assign (resid 10 and name HB* )(resid 11 and name HG* ) 1.8 0.0 3.27 assign (resid 10 and name HB* )(resid 11 and name HN ) 1.8 0.0 1.84 assign (resid 10 and name HB* )(resid 12 and name HN ) 1.8 0.0 3.49 assign (resid 10 and name HB* )(resid 13 and name HB* ) 1.8 0.0 3.93 assign (resid 10 and name HB* )(resid 13 and name HN ) 1.8 0.0 3.32 assign (resid 10 and name HB* )(resid 14 and name HD* ) 1.8 0.0 2.81 assign (resid 10 and name HB* )(resid 14 and name HE* ) 1.8 0.0 3.28 assign (resid 10 and name HB* )(resid 16 and name HG2* ) 1.8 0.0 3.5 assign (resid 10 and name HB* )(resid 16 and name HN ) 1.8 0.0 3.06 assign (resid 10 and name HB* )(resid 17 and name HA ) 1.8 0.0 4.25 assign (resid 10 and name HB* )(resid 31 and name HD* ) 1.8 0.0 2.73 assign (resid 10 and name HB* )(resid 31 and name HE* ) 1.8 0.0 2.74 assign (resid 10 and name HB* )(resid 31 and name HZ ) 1.8 0.0 3.67 assign (resid 10 and name HB* )(resid 41 and name HB* ) 1.8 0.0 3.37 assign (resid 10 and name HN )(resid 10 and name HB* ) 1.8 0.0 1.4 assign (resid 10 and name HN )(resid 11 and name HN ) 1.8 0.0 1.95 assign (resid 11 and name HA )(resid 11 and name HE21 ) 1.8 0.0 3.72 assign (resid 11 and name HA )(resid 11 and name HG* ) 1.8 0.0 1.8 assign (resid 11 and name HA )(resid 14 and name HN ) 1.8 0.0 3.7 assign (resid 11 and name HA )(resid 16 and name HN ) 1.8 0.0 1.61 assign (resid 11 and name HB* )(resid 11 and name HE21 ) 1.8 0.0 3.16 assign (resid 11 and name HB* )(resid 12 and name HB* ) 1.8 0.0 3.32 assign (resid 11 and name HB* )(resid 15 and name HN ) 1.8 0.0 3.58 assign (resid 11 and name HB* )(resid 16 and name HN ) 1.8 0.0 4.25 assign (resid 11 and name HB1 )(resid 11 and name HE22 ) 1.8 0.0 3.98 assign (resid 11 and name HB1 )(resid 12 and name HN ) 1.8 0.0 2.99 assign (resid 11 and name HB1 )(resid 15 and name HA ) 1.8 0.0 3.27 assign (resid 11 and name HB2 )(resid 11 and name HE22 ) 1.8 0.0 3.98 assign (resid 11 and name HB2 )(resid 12 and name HN ) 1.8 0.0 2.99 assign (resid 11 and name HB2 )(resid 15 and name HA ) 1.8 0.0 3.27 assign (resid 11 and name HE21 )(resid 15 and name HA ) 1.8 0.0 3.72 assign (resid 11 and name HG* )(resid 12 and name HN ) 1.8 0.0 2.74 assign (resid 11 and name HG* )(resid 15 and name HA ) 1.8 0.0 3.08 assign (resid 11 and name HN )(resid 11 and name HB1 ) 1.8 0.0 2.39 assign (resid 11 and name HN )(resid 11 and name HB2 ) 1.8 0.0 2.39 assign (resid 11 and name HN )(resid 12 and name HB2 ) 1.8 0.0 4.15 assign (resid 11 and name HN )(resid 12 and name HN ) 1.8 0.0 1.81 assign (resid 12 and name HA )(resid 12 and name HD* ) 1.8 0.0 2.22 assign (resid 12 and name HA )(resid 12 and name HG* ) 1.8 0.0 2.09 assign (resid 12 and name HA )(resid 15 and name HN ) 1.8 0.0 3.66 assign (resid 12 and name HB* )(resid 12 and name HE* ) 1.8 0.0 3.28 assign (resid 12 and name HB* )(resid 12 and name HE1 ) 1.8 0.0 4.11 assign (resid 12 and name HB* )(resid 12 and name HE2 ) 1.8 0.0 4.11 assign (resid 12 and name HB* )(resid 13 and name HA ) 1.8 0.0 4.17 assign (resid 12 and name HB1 )(resid 13 and name HN ) 1.8 0.0 2.42 assign (resid 12 and name HB2 )(resid 13 and name HN ) 1.8 0.0 2.42 assign (resid 12 and name HG* )(resid 12 and name HE* ) 1.8 0.0 1.53 assign (resid 12 and name HN )(resid 12 and name HB1 ) 1.8 0.0 1.76 assign (resid 12 and name HN )(resid 12 and name HB2 ) 1.8 0.0 1.76 assign (resid 12 and name HN )(resid 12 and name HG* ) 1.8 0.0 2.92 assign (resid 12 and name HN )(resid 13 and name HN ) 1.8 0.0 1.87 assign (resid 12 and name HN )(resid 15 and name HN ) 1.8 0.0 3.4 assign (resid 13 and name HA )(resid 13 and name HD* ) 1.8 0.0 2.86 assign (resid 13 and name HA )(resid 13 and name HG* ) 1.8 0.0 2.15 assign (resid 13 and name HB* )(resid 14 and name HN ) 1.8 0.0 1.94 assign (resid 13 and name HD* )(resid 14 and name HE* ) 1.8 0.0 3.79 assign (resid 13 and name HG* )(resid 13 and name HE* ) 1.8 0.0 1.51 assign (resid 13 and name HG1 )(resid 13 and name HE1 ) 1.8 0.0 2.55 assign (resid 13 and name HG1 )(resid 13 and name HE2 ) 1.8 0.0 2.55 assign (resid 13 and name HG1 )(resid 14 and name HE* ) 1.8 0.0 3.85 assign (resid 13 and name HG2 )(resid 13 and name HE1 ) 1.8 0.0 2.55 assign (resid 13 and name HG2 )(resid 13 and name HE2 ) 1.8 0.0 2.55 assign (resid 13 and name HG2 )(resid 14 and name HE* ) 1.8 0.0 3.85 assign (resid 13 and name HN )(resid 13 and name HB1 ) 1.8 0.0 1.82 assign (resid 13 and name HN )(resid 13 and name HB2 ) 1.8 0.0 1.82 assign (resid 13 and name HN )(resid 13 and name HG* ) 1.8 0.0 2.93 assign (resid 13 and name HN )(resid 14 and name HN ) 1.8 0.0 1.81 assign (resid 14 and name HA )(resid 14 and name HD* ) 1.8 0.0 2.04 assign (resid 14 and name HA )(resid 14 and name HE* ) 1.8 0.0 3.83 assign (resid 14 and name HB* )(resid 16 and name HN ) 1.8 0.0 2.85 assign (resid 14 and name HE* )(resid 109 and name HG2* ) 1.8 0.0 2.88 assign (resid 14 and name HN )(resid 14 and name HB* ) 1.8 0.0 2.01 assign (resid 14 and name HN )(resid 14 and name HD* ) 1.8 0.0 2.5 assign (resid 14 and name HN )(resid 15 and name HA ) 1.8 0.0 3.12 assign (resid 14 and name HN )(resid 15 and name HN ) 1.8 0.0 1.52 assign (resid 15 and name HA )(resid 16 and name HN ) 1.8 0.0 1.71 assign (resid 15 and name HB* )(resid 16 and name HN ) 1.8 0.0 2.69 assign (resid 15 and name HN )(resid 15 and name HB* ) 1.8 0.0 1.76 assign (resid 15 and name HN )(resid 16 and name HB ) 1.8 0.0 4.21 assign (resid 16 and name HA )(resid 16 and name HG2* ) 1.8 0.0 1.78 assign (resid 16 and name HA )(resid 17 and name HB* ) 1.8 0.0 3.3 assign (resid 16 and name HA )(resid 17 and name HN ) 1.8 0.0 1.35 assign (resid 16 and name HB )(resid 17 and name HN ) 1.8 0.0 2.86 assign (resid 16 and name HB )(resid 31 and name HB* ) 1.8 0.0 3.77 assign (resid 16 and name HB )(resid 31 and name HD* ) 1.8 0.0 3.81 assign (resid 16 and name HG2* )(resid 17 and name HA ) 1.8 0.0 2.68 assign (resid 16 and name HG2* )(resid 17 and name HN ) 1.8 0.0 1.91 assign (resid 16 and name HG2* )(resid 18 and name HA ) 1.8 0.0 3.21 assign (resid 16 and name HG2* )(resid 18 and name HD* ) 1.8 0.0 3.69 assign (resid 16 and name HG2* )(resid 31 and name HA ) 1.8 0.0 2.12 assign (resid 16 and name HG2* )(resid 31 and name HB* ) 1.8 0.0 2.07 assign (resid 16 and name HG2* )(resid 31 and name HD* ) 1.8 0.0 1.97 assign (resid 16 and name HG2* )(resid 31 and name HE* ) 1.8 0.0 3.57 assign (resid 16 and name HG2* )(resid 32 and name HN ) 1.8 0.0 2.55 assign (resid 16 and name HN )(resid 16 and name HB ) 1.8 0.0 1.94 assign (resid 16 and name HN )(resid 16 and name HG2* ) 1.8 0.0 2.36 assign (resid 16 and name HN )(resid 17 and name HN ) 1.8 0.0 3.12 assign (resid 17 and name HA )(resid 18 and name HB* ) 1.8 0.0 3.7 assign (resid 17 and name HA )(resid 18 and name HD* ) 1.8 0.0 1.63 assign (resid 17 and name HA )(resid 18 and name HG* ) 1.8 0.0 3.23 assign (resid 17 and name HB* )(resid 18 and name HD* ) 1.8 0.0 2.1 assign (resid 17 and name HN )(resid 17 and name HB* ) 1.8 0.0 1.57 assign (resid 17 and name HN )(resid 18 and name HD* ) 1.8 0.0 3.78 assign (resid 18 and name HA )(resid 19 and name HA ) 1.8 0.0 3.22 assign (resid 18 and name HA )(resid 19 and name HB* ) 1.8 0.0 3.34 assign (resid 18 and name HA )(resid 19 and name HN ) 1.8 0.0 1.48 assign (resid 18 and name HA )(resid 29 and name HB* ) 1.8 0.0 2.95 assign (resid 18 and name HA )(resid 31 and name HA ) 1.8 0.0 3.56 assign (resid 18 and name HA )(resid 31 and name HE* ) 1.8 0.0 3.73 assign (resid 18 and name HB* )(resid 19 and name HA ) 1.8 0.0 3.37 assign (resid 18 and name HB* )(resid 19 and name HB1 ) 1.8 0.0 4.25 assign (resid 18 and name HB* )(resid 19 and name HB2 ) 1.8 0.0 4.25 assign (resid 18 and name HB* )(resid 19 and name HN ) 1.8 0.0 1.97 assign (resid 18 and name HB* )(resid 31 and name HE* ) 1.8 0.0 2.23 assign (resid 18 and name HB* )(resid 31 and name HZ ) 1.8 0.0 3.34 assign (resid 18 and name HB1 )(resid 30 and name HN ) 1.8 0.0 4.12 assign (resid 18 and name HB2 )(resid 30 and name HN ) 1.8 0.0 4.12 assign (resid 19 and name HA )(resid 20 and name HN ) 1.8 0.0 1.54 assign (resid 19 and name HB* )(resid 20 and name HN ) 1.8 0.0 2.58 assign (resid 19 and name HB* )(resid 30 and name HB ) 1.8 0.0 2.53 assign (resid 19 and name HB* )(resid 30 and name HG2* ) 1.8 0.0 2.69 assign (resid 19 and name HB1 )(resid 30 and name HG1* ) 1.8 0.0 3.91 assign (resid 19 and name HB2 )(resid 30 and name HG1* ) 1.8 0.0 3.91 assign (resid 19 and name HN )(resid 29 and name HB* ) 1.8 0.0 3.27 assign (resid 19 and name HN )(resid 30 and name HG1* ) 1.8 0.0 3.63 assign (resid 19 and name HN )(resid 30 and name HG2* ) 1.8 0.0 3.16 assign (resid 19 and name HN )(resid 30 and name HN ) 1.8 0.0 2.04 assign (resid 20 and name HA )(resid 21 and name HD1 ) 1.8 0.0 2.1 assign (resid 20 and name HA )(resid 21 and name HD2 ) 1.8 0.0 2.1 assign (resid 20 and name HA )(resid 30 and name HG2* ) 1.8 0.0 3.52 assign (resid 20 and name HB* )(resid 30 and name HG2* ) 1.8 0.0 4.07 assign (resid 20 and name HN )(resid 21 and name HD* ) 1.8 0.0 3.38 assign (resid 21 and name HB* )(resid 22 and name HN ) 1.8 0.0 2.29 assign (resid 21 and name HB* )(resid 30 and name HG2* ) 1.8 0.0 2.85 assign (resid 21 and name HD* )(resid 22 and name HN ) 1.8 0.0 2.25 assign (resid 21 and name HD* )(resid 30 and name HB ) 1.8 0.0 3.26 assign (resid 21 and name HD* )(resid 30 and name HG1* ) 1.8 0.0 3.58 assign (resid 21 and name HD* )(resid 30 and name HG2* ) 1.8 0.0 2.46 assign (resid 21 and name HG* )(resid 22 and name HN ) 1.8 0.0 3.17 assign (resid 21 and name HG* )(resid 30 and name HG2* ) 1.8 0.0 1.73 assign (resid 22 and name HA )(resid 22 and name HD1 ) 1.8 0.0 2.35 assign (resid 22 and name HA )(resid 23 and name HA ) 1.8 0.0 3.22 assign (resid 22 and name HA )(resid 23 and name HB* ) 1.8 0.0 3.36 assign (resid 22 and name HA )(resid 23 and name HN ) 1.8 0.0 1.29 assign (resid 22 and name HB* )(resid 23 and name HN ) 1.8 0.0 2.74 assign (resid 22 and name HB* )(resid 24 and name HN ) 1.8 0.0 2.69 assign (resid 22 and name HB* )(resid 25 and name HB* ) 1.8 0.0 2.63 assign (resid 22 and name HB* )(resid 25 and name HD* ) 1.8 0.0 2.52 assign (resid 22 and name HB* )(resid 25 and name HE* ) 1.8 0.0 4.07 assign (resid 22 and name HB* )(resid 25 and name HN ) 1.8 0.0 1.83 assign (resid 22 and name HD1 )(resid 23 and name HN ) 1.8 0.0 3.17 assign (resid 22 and name HN )(resid 22 and name HB* ) 1.8 0.0 1.81 assign (resid 22 and name HN )(resid 23 and name HN ) 1.8 0.0 3.13 assign (resid 22 and name HZ3 )(resid 42 and name HD1* ) 1.8 0.0 4.25 assign (resid 23 and name HA )(resid 23 and name HG1 ) 1.8 0.0 2.46 assign (resid 23 and name HA )(resid 23 and name HG2 ) 1.8 0.0 2.46 assign (resid 23 and name HB* )(resid 24 and name HA ) 1.8 0.0 3.73 assign (resid 23 and name HB1 )(resid 24 and name HG* ) 1.8 0.0 4.07 assign (resid 23 and name HB1 )(resid 24 and name HN ) 1.8 0.0 3.33 assign (resid 23 and name HB2 )(resid 24 and name HG* ) 1.8 0.0 4.07 assign (resid 23 and name HB2 )(resid 24 and name HN ) 1.8 0.0 3.33 assign (resid 23 and name HG* )(resid 24 and name HA ) 1.8 0.0 3.49 assign (resid 23 and name HG* )(resid 24 and name HB* ) 1.8 0.0 3.51 assign (resid 23 and name HG* )(resid 24 and name HG* ) 1.8 0.0 2.6 assign (resid 23 and name HG* )(resid 24 and name HN ) 1.8 0.0 2.52 assign (resid 23 and name HG1 )(resid 24 and name HD1 ) 1.8 0.0 4.25 assign (resid 23 and name HG1 )(resid 24 and name HD2 ) 1.8 0.0 4.25 assign (resid 23 and name HG1 )(resid 24 and name HG1 ) 1.8 0.0 4.25 assign (resid 23 and name HG1 )(resid 24 and name HG2 ) 1.8 0.0 4.25 assign (resid 23 and name HG2 )(resid 24 and name HD1 ) 1.8 0.0 4.25 assign (resid 23 and name HG2 )(resid 24 and name HD2 ) 1.8 0.0 4.25 assign (resid 23 and name HG2 )(resid 24 and name HG1 ) 1.8 0.0 4.25 assign (resid 23 and name HG2 )(resid 24 and name HG2 ) 1.8 0.0 4.25 assign (resid 23 and name HN )(resid 23 and name HB1 ) 1.8 0.0 2.34 assign (resid 23 and name HN )(resid 23 and name HB2 ) 1.8 0.0 2.34 assign (resid 23 and name HN )(resid 23 and name HG* ) 1.8 0.0 2.05 assign (resid 23 and name HN )(resid 24 and name HB* ) 1.8 0.0 3.84 assign (resid 23 and name HN )(resid 24 and name HG* ) 1.8 0.0 3.91 assign (resid 23 and name HN )(resid 24 and name HN ) 1.8 0.0 1.92 assign (resid 24 and name HA )(resid 24 and name HG* ) 1.8 0.0 2.02 assign (resid 24 and name HA )(resid 26 and name HD* ) 1.8 0.0 2.79 assign (resid 24 and name HB1 )(resid 25 and name HN ) 1.8 0.0 2.75 assign (resid 24 and name HB2 )(resid 25 and name HD* ) 1.8 0.0 3.09 assign (resid 24 and name HB2 )(resid 25 and name HN ) 1.8 0.0 2.75 assign (resid 24 and name HE* )(resid 25 and name HE* ) 1.8 0.0 3.08 assign (resid 24 and name HE1 )(resid 25 and name HE* ) 1.8 0.0 3.78 assign (resid 24 and name HE2 )(resid 25 and name HE* ) 1.8 0.0 3.78 assign (resid 24 and name HG* )(resid 24 and name HE* ) 1.8 0.0 1.83 assign (resid 24 and name HN )(resid 24 and name HB1 ) 1.8 0.0 2.3 assign (resid 24 and name HN )(resid 24 and name HB2 ) 1.8 0.0 2.3 assign (resid 24 and name HN )(resid 24 and name HG* ) 1.8 0.0 2.1 assign (resid 24 and name HN )(resid 25 and name HN ) 1.8 0.0 1.65 assign (resid 25 and name HA )(resid 25 and name HD* ) 1.8 0.0 2.39 assign (resid 25 and name HA )(resid 26 and name HD* ) 1.8 0.0 1.69 assign (resid 25 and name HA )(resid 26 and name HG* ) 1.8 0.0 3.09 assign (resid 25 and name HB* )(resid 27 and name HN ) 1.8 0.0 3.68 assign (resid 25 and name HB* )(resid 28 and name HN ) 1.8 0.0 2.99 assign (resid 25 and name HD* )(resid 25 and name HZ ) 1.8 0.0 2.63 assign (resid 25 and name HN )(resid 25 and name HB* ) 1.8 0.0 2.01 assign (resid 25 and name HN )(resid 25 and name HD* ) 1.8 0.0 2.49 assign (resid 25 and name HN )(resid 26 and name HA ) 1.8 0.0 3.72 assign (resid 25 and name HN )(resid 26 and name HD1 ) 1.8 0.0 2.69 assign (resid 25 and name HN )(resid 26 and name HD2 ) 1.8 0.0 2.69 assign (resid 25 and name HN )(resid 26 and name HG* ) 1.8 0.0 4.15 assign (resid 26 and name HB* )(resid 28 and name HN ) 1.8 0.0 3.57 assign (resid 26 and name HD* )(resid 27 and name HN ) 1.8 0.0 2.25 assign (resid 26 and name HG* )(resid 27 and name HN ) 1.8 0.0 3.2 assign (resid 27 and name HA )(resid 28 and name HD* ) 1.8 0.0 4.25 assign (resid 27 and name HA )(resid 28 and name HN ) 1.8 0.0 1.83 assign (resid 27 and name HN )(resid 27 and name HB* ) 1.8 0.0 1.73 assign (resid 27 and name HN )(resid 28 and name HD* ) 1.8 0.0 3.44 assign (resid 27 and name HN )(resid 28 and name HN ) 1.8 0.0 1.64 assign (resid 28 and name HA )(resid 28 and name HD* ) 1.8 0.0 2.31 assign (resid 28 and name HA )(resid 29 and name HB* ) 1.8 0.0 3.49 assign (resid 28 and name HA )(resid 29 and name HN ) 1.8 0.0 1.72 assign (resid 28 and name HA )(resid 43 and name HD2* ) 1.8 0.0 4.14 assign (resid 28 and name HA )(resid 44 and name HA ) 1.8 0.0 2.72 assign (resid 28 and name HA )(resid 44 and name HB* ) 1.8 0.0 4.04 assign (resid 28 and name HA )(resid 45 and name HN ) 1.8 0.0 4.25 assign (resid 28 and name HB* )(resid 43 and name HD2* ) 1.8 0.0 4.25 assign (resid 28 and name HD* )(resid 29 and name HN ) 1.8 0.0 3.23 assign (resid 28 and name HD* )(resid 44 and name HA ) 1.8 0.0 2.88 assign (resid 28 and name HD* )(resid 45 and name HN ) 1.8 0.0 2.69 assign (resid 28 and name HE* )(resid 45 and name HN ) 1.8 0.0 2.51 assign (resid 28 and name HN )(resid 28 and name HD* ) 1.8 0.0 2.55 assign (resid 29 and name HA )(resid 30 and name HG1* ) 1.8 0.0 4.25 assign (resid 29 and name HA )(resid 30 and name HG2* ) 1.8 0.0 3.41 assign (resid 29 and name HA )(resid 30 and name HN ) 1.8 0.0 1.75 assign (resid 29 and name HB* )(resid 30 and name HN ) 1.8 0.0 2.07 assign (resid 29 and name HB* )(resid 31 and name HD* ) 1.8 0.0 4.12 assign (resid 29 and name HB* )(resid 31 and name HE* ) 1.8 0.0 1.97 assign (resid 29 and name HB* )(resid 31 and name HZ ) 1.8 0.0 1.97 assign (resid 29 and name HB* )(resid 43 and name HA ) 1.8 0.0 3.78 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HN ) 1.8 0.0 3.2 assign (resid 30 and name HB )(resid 31 and name HN ) 1.8 0.0 3.46 assign (resid 30 and name HG1* )(resid 31 and name HD* ) 1.8 0.0 3.58 assign (resid 30 and name HG1* )(resid 31 and name HN ) 1.8 0.0 2.75 assign (resid 30 and name HG1* )(resid 32 and name HB* ) 1.8 0.0 3.01 assign (resid 30 and name HG1* )(resid 32 and name HD* ) 1.8 0.0 4.07 assign (resid 30 and name HG1* )(resid 32 and name HG* ) 1.8 0.0 3.57 assign (resid 30 and name HG1* )(resid 32 and name HN ) 1.8 0.0 3.84 assign (resid 30 and name HG1* )(resid 41 and name HN ) 1.8 0.0 3.52 assign (resid 30 and name HG1* )(resid 42 and name HA ) 1.8 0.0 3.29 assign (resid 30 and name HG1* )(resid 42 and name HB* ) 1.8 0.0 2.93 assign (resid 30 and name HG1* )(resid 42 and name HD1* ) 1.8 0.0 3.38 assign (resid 30 and name HG1* )(resid 42 and name HD2* ) 1.8 0.0 2.28 assign (resid 30 and name HG2* )(resid 42 and name HA ) 1.8 0.0 3.29 assign (resid 30 and name HG2* )(resid 42 and name HB* ) 1.8 0.0 3.15 assign (resid 30 and name HG2* )(resid 42 and name HD1* ) 1.8 0.0 3.71 assign (resid 30 and name HG2* )(resid 42 and name HD2* ) 1.8 0.0 3.01 assign (resid 30 and name HN )(resid 30 and name HB ) 1.8 0.0 2.38 assign (resid 30 and name HN )(resid 30 and name HG1* ) 1.8 0.0 3.4 assign (resid 30 and name HN )(resid 30 and name HG2* ) 1.8 0.0 2.58 assign (resid 31 and name HA )(resid 31 and name HD* ) 1.8 0.0 2.99 assign (resid 31 and name HA )(resid 32 and name HN ) 1.8 0.0 1.52 assign (resid 31 and name HA )(resid 41 and name HB* ) 1.8 0.0 3.55 assign (resid 31 and name HB* )(resid 41 and name HB* ) 1.8 0.0 1.85 assign (resid 31 and name HB* )(resid 41 and name HN ) 1.8 0.0 3.53 assign (resid 31 and name HB1 )(resid 32 and name HN ) 1.8 0.0 3.85 assign (resid 31 and name HB2 )(resid 32 and name HN ) 1.8 0.0 3.85 assign (resid 31 and name HD* )(resid 41 and name HB* ) 1.8 0.0 2.17 assign (resid 31 and name HD* )(resid 41 and name HN ) 1.8 0.0 4.14 assign (resid 31 and name HE* )(resid 43 and 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name HN )(resid 32 and name HB* ) 1.8 0.0 2.07 assign (resid 32 and name HN )(resid 33 and name HN ) 1.8 0.0 3.06 assign (resid 32 and name HN )(resid 41 and name HB* ) 1.8 0.0 3.7 assign (resid 33 and name HA )(resid 34 and name HA ) 1.8 0.0 3.09 assign (resid 33 and name HA )(resid 34 and name HN ) 1.8 0.0 1.69 assign (resid 33 and name HB* )(resid 34 and name HN ) 1.8 0.0 2.41 assign (resid 33 and name HB* )(resid 35 and name HN ) 1.8 0.0 2.09 assign (resid 33 and name HB* )(resid 36 and name HN ) 1.8 0.0 2.66 assign (resid 33 and name HB* )(resid 38 and name HN ) 1.8 0.0 4.07 assign (resid 33 and name HN )(resid 34 and name HN ) 1.8 0.0 4.25 assign (resid 34 and name HA )(resid 37 and name HN ) 1.8 0.0 3.3 assign (resid 34 and name HB* )(resid 35 and name HA ) 1.8 0.0 3.19 assign (resid 34 and name HB* )(resid 35 and name HB* ) 1.8 0.0 3.9 assign (resid 34 and name HB* )(resid 35 and name HN ) 1.8 0.0 2.45 assign (resid 34 and name HN )(resid 34 and name HB* ) 1.8 0.0 2.02 assign (resid 34 and name HN )(resid 35 and name HN ) 1.8 0.0 1.91 assign (resid 35 and name HB* )(resid 36 and name HN ) 1.8 0.0 2.63 assign (resid 35 and name HB* )(resid 118 and name HD1* ) 1.8 0.0 2.24 assign (resid 35 and name HB* )(resid 118 and name HD2* ) 1.8 0.0 3.51 assign (resid 35 and name HN )(resid 35 and name HB* ) 1.8 0.0 1.72 assign (resid 35 and name HN )(resid 36 and name HN ) 1.8 0.0 1.68 assign (resid 35 and name HN )(resid 37 and name HN ) 1.8 0.0 3.74 assign (resid 36 and name HA )(resid 118 and name HD2* ) 1.8 0.0 2.97 assign (resid 36 and name HB* )(resid 37 and name HN ) 1.8 0.0 2.7 assign (resid 36 and name HB* )(resid 118 and name HA ) 1.8 0.0 3.94 assign (resid 36 and name HB* )(resid 118 and name HB* ) 1.8 0.0 3.9 assign (resid 36 and name HB* )(resid 118 and name HD1* ) 1.8 0.0 2.57 assign (resid 36 and name HB* )(resid 118 and name HD2* ) 1.8 0.0 2.24 assign (resid 36 and name HB* )(resid 118 and name HG ) 1.8 0.0 3.06 assign (resid 36 and name HD2* )(resid 117 and name HA ) 1.8 0.0 4.06 assign (resid 36 and name HD2* )(resid 118 and name HA ) 1.8 0.0 2.39 assign (resid 36 and name HD2* )(resid 118 and name HB* ) 1.8 0.0 3.12 assign (resid 36 and name HD2* )(resid 118 and name HD1* ) 1.8 0.0 3.17 assign (resid 36 and name HD2* )(resid 118 and name HD2* ) 1.8 0.0 2.79 assign (resid 36 and name HD2* )(resid 118 and name HG ) 1.8 0.0 2.97 assign (resid 36 and name HD2* )(resid 118 and name HN ) 1.8 0.0 3.76 assign (resid 36 and name HD2* )(resid 119 and name HN ) 1.8 0.0 3.66 assign (resid 36 and name HD21 )(resid 118 and name HA ) 1.8 0.0 3.24 assign (resid 36 and name HD21 )(resid 118 and name HG ) 1.8 0.0 3.82 assign (resid 36 and name HD22 )(resid 118 and name HA ) 1.8 0.0 3.24 assign (resid 36 and name HD22 )(resid 118 and name HG ) 1.8 0.0 3.82 assign (resid 37 and name HN )(resid 37 and name HB* ) 1.8 0.0 2.12 assign (resid 37 and name HN )(resid 38 and name HN ) 1.8 0.0 2.64 assign (resid 38 and name HB* )(resid 38 and name HD* ) 1.8 0.0 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1.8 0.0 3.42 assign (resid 53 and name HA )(resid 53 and name HD1* ) 1.8 0.0 2.67 assign (resid 53 and name HA )(resid 53 and name HG11 ) 1.8 0.0 2.2 assign (resid 53 and name HA )(resid 53 and name HG12 ) 1.8 0.0 2.2 assign (resid 53 and name HA )(resid 53 and name HG2* ) 1.8 0.0 1.73 assign (resid 53 and name HA )(resid 54 and name HB* ) 1.8 0.0 3.4 assign (resid 53 and name HA )(resid 54 and name HN ) 1.8 0.0 1.04 assign (resid 53 and name HA )(resid 55 and name HN ) 1.8 0.0 4.26 assign (resid 53 and name HB )(resid 53 and name HD1* ) 1.8 0.0 1.76 assign (resid 53 and name HB )(resid 54 and name HN ) 1.8 0.0 3.02 assign (resid 53 and name HB )(resid 55 and name HN ) 1.8 0.0 4.25 assign (resid 53 and name HB )(resid 59 and name HG1* ) 1.8 0.0 3.87 assign (resid 53 and name HD1* )(resid 54 and name HN ) 1.8 0.0 3.21 assign (resid 53 and name HD1* )(resid 55 and name HN ) 1.8 0.0 4.25 assign (resid 53 and name HD1* )(resid 59 and name HG1* ) 1.8 0.0 2.55 assign (resid 53 and name HD1* 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(resid 57 and name HG* )(resid 59 and name HG1* ) 1.8 0.0 2.71 assign (resid 57 and name HN )(resid 57 and name HB1 ) 1.8 0.0 2.47 assign (resid 57 and name HN )(resid 57 and name HB2 ) 1.8 0.0 2.47 assign (resid 57 and name HN )(resid 57 and name HG* ) 1.8 0.0 3.2 assign (resid 57 and name HN )(resid 58 and name HN ) 1.8 0.0 3.78 assign (resid 57 and name HN )(resid 59 and name HG1* ) 1.8 0.0 3.83 assign (resid 58 and name HA )(resid 59 and name HG2* ) 1.8 0.0 3.48 assign (resid 58 and name HA )(resid 59 and name HN ) 1.8 0.0 1.54 assign (resid 58 and name HB* )(resid 58 and name HD* ) 1.8 0.0 1.81 assign (resid 58 and name HB* )(resid 58 and name HE ) 1.8 0.0 2.91 assign (resid 58 and name HB* )(resid 59 and name HN ) 1.8 0.0 2.63 assign (resid 58 and name HG* )(resid 59 and name HN ) 1.8 0.0 3.23 assign (resid 58 and name HN )(resid 58 and name HB* ) 1.8 0.0 2.07 assign (resid 58 and name HN )(resid 58 and name HE ) 1.8 0.0 4.18 assign (resid 58 and name HN )(resid 59 and name HG1* 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(resid 62 and name HB )(resid 62 and name HD1* ) 1.8 0.0 1.74 assign (resid 62 and name HD1* )(resid 64 and name HD2* ) 1.8 0.0 2.69 assign (resid 62 and name HD1* )(resid 94 and name HB ) 1.8 0.0 2.74 assign (resid 62 and name HD1* )(resid 94 and name HG1* ) 1.8 0.0 1.62 assign (resid 62 and name HD1* )(resid 96 and name HD1* ) 1.8 0.0 2.92 assign (resid 62 and name HD1* )(resid 96 and name HD2* ) 1.8 0.0 1.67 assign (resid 62 and name HD1* )(resid 105 and name HD1* ) 1.8 0.0 1.93 assign (resid 62 and name HD1* )(resid 105 and name HG2* ) 1.8 0.0 1.97 assign (resid 62 and name HD1* )(resid 109 and name HD1* ) 1.8 0.0 2.16 assign (resid 62 and name HD1* )(resid 109 and name HG11 ) 1.8 0.0 3.68 assign (resid 62 and name HD1* )(resid 109 and name HG12 ) 1.8 0.0 3.68 assign (resid 62 and name HD1* )(resid 109 and name HG2* ) 1.8 0.0 3.98 assign (resid 62 and name HG1* )(resid 94 and name HB ) 1.8 0.0 1.91 assign (resid 62 and name HG1* )(resid 96 and name HD2* ) 1.8 0.0 2.08 assign (resid 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1.8 0.0 4.25 assign (resid 108 and name HN )(resid 109 and name HG1* ) 1.8 0.0 4.25 assign (resid 108 and name HN )(resid 109 and name HN ) 1.8 0.0 2.1 assign (resid 108 and name HN )(resid 110 and name HN ) 1.8 0.0 3.7 assign (resid 109 and name HA )(resid 109 and name HD1* ) 1.8 0.0 3.01 assign (resid 109 and name HA )(resid 112 and name HB1 ) 1.8 0.0 2.91 assign (resid 109 and name HA )(resid 112 and name HB2 ) 1.8 0.0 2.91 assign (resid 109 and name HA )(resid 112 and name HN ) 1.8 0.0 2.93 assign (resid 109 and name HB )(resid 109 and name HD1* ) 1.8 0.0 1.89 assign (resid 109 and name HB )(resid 110 and name HN ) 1.8 0.0 2.73 assign (resid 109 and name HD1* )(resid 110 and name HN ) 1.8 0.0 4.25 assign (resid 109 and name HG1* )(resid 110 and name HN ) 1.8 0.0 4.03 assign (resid 109 and name HG2* )(resid 109 and name HD1* ) 1.8 0.0 1.39 assign (resid 109 and name HG2* )(resid 109 and name HG11 ) 1.8 0.0 2.86 assign (resid 109 and name HG2* )(resid 109 and name HG12 ) 1.8 0.0 2.86 assign (resid 109 and name HG2* )(resid 110 and name HA ) 1.8 0.0 3.17 assign (resid 109 and name HG2* )(resid 110 and name HN ) 1.8 0.0 2.63 assign (resid 109 and name HG2* )(resid 112 and name HA ) 1.8 0.0 4.25 assign (resid 109 and name HG2* )(resid 112 and name HB* ) 1.8 0.0 3.49 assign (resid 109 and name HG2* )(resid 113 and name HN ) 1.8 0.0 3.09 assign (resid 109 and name HN )(resid 109 and name HB ) 1.8 0.0 1.86 assign (resid 109 and name HN )(resid 109 and name HD1* ) 1.8 0.0 2.92 assign (resid 109 and name HN )(resid 109 and name HG11 ) 1.8 0.0 2.4 assign (resid 109 and name HN )(resid 109 and name HG12 ) 1.8 0.0 2.4 assign (resid 109 and name HN )(resid 109 and name HG2* ) 1.8 0.0 2.38 assign (resid 109 and name HN )(resid 110 and name HN ) 1.8 0.0 2.28 assign (resid 109 and name HN )(resid 111 and name HN ) 1.8 0.0 3.52 assign (resid 110 and name HA )(resid 113 and name HB1 ) 1.8 0.0 3.16 assign (resid 110 and name HA )(resid 113 and name HB2 ) 1.8 0.0 3.16 assign (resid 110 and name HA )(resid 113 and name HN ) 1.8 0.0 2.36 assign (resid 110 and name HB* )(resid 111 and name HA ) 1.8 0.0 3.15 assign (resid 110 and name HB* )(resid 111 and name HN ) 1.8 0.0 1.8 assign (resid 110 and name HB1 )(resid 113 and name HB* ) 1.8 0.0 4.25 assign (resid 110 and name HB2 )(resid 113 and name HB* ) 1.8 0.0 4.25 assign (resid 110 and name HG* )(resid 111 and name HN ) 1.8 0.0 2.78 assign (resid 110 and name HG* )(resid 114 and name HE2* ) 1.8 0.0 3.44 assign (resid 110 and name HN )(resid 110 and name HB1 ) 1.8 0.0 1.8 assign (resid 110 and name HN )(resid 110 and name HB2 ) 1.8 0.0 1.8 assign (resid 110 and name HN )(resid 110 and name HG* ) 1.8 0.0 2.74 assign (resid 110 and name HN )(resid 111 and name HN ) 1.8 0.0 2.35 assign (resid 111 and name HA )(resid 114 and name HN ) 1.8 0.0 3.4 assign (resid 111 and name HA )(resid 115 and name HN ) 1.8 0.0 3.7 assign (resid 111 and name HB* )(resid 112 and name HA ) 1.8 0.0 2.73 assign (resid 111 and name HB* )(resid 112 and name HN ) 1.8 0.0 1.94 assign (resid 111 and name HB* )(resid 115 and name HD* ) 1.8 0.0 2.9 assign (resid 111 and name HN )(resid 111 and name HB* ) 1.8 0.0 1.57 assign (resid 111 and name HN )(resid 112 and name HN ) 1.8 0.0 1.94 assign (resid 111 and name HN )(resid 113 and name HN ) 1.8 0.0 4.2 assign (resid 112 and name HA )(resid 115 and name HB* ) 1.8 0.0 2.55 assign (resid 112 and name HA )(resid 115 and name HD* ) 1.8 0.0 2.55 assign (resid 112 and name HA )(resid 115 and name HN ) 1.8 0.0 2.67 assign (resid 112 and name HA )(resid 116 and name HG2* ) 1.8 0.0 2.56 assign (resid 112 and name HA )(resid 116 and name HN ) 1.8 0.0 3.2 assign (resid 112 and name HB1 )(resid 116 and name HG2* ) 1.8 0.0 3.15 assign (resid 112 and name HB2 )(resid 116 and name HG2* ) 1.8 0.0 3.15 assign (resid 112 and name HN )(resid 112 and name HB1 ) 1.8 0.0 2.37 assign (resid 112 and name HN )(resid 112 and name HB2 ) 1.8 0.0 2.37 assign (resid 112 and name HN )(resid 113 and name HN ) 1.8 0.0 2.24 assign (resid 112 and name HN )(resid 115 and name HD* ) 1.8 0.0 3.4 assign (resid 113 and name HA )(resid 114 and name HG* ) 1.8 0.0 3.91 assign (resid 113 and name HA )(resid 116 and name HN ) 1.8 0.0 4.22 assign (resid 113 and name HB* )(resid 114 and name HA ) 1.8 0.0 3.66 assign (resid 113 and name HB1 )(resid 114 and name HN ) 1.8 0.0 3.3 assign (resid 113 and name HB2 )(resid 114 and name HN ) 1.8 0.0 3.3 assign (resid 113 and name HN )(resid 113 and name HB1 ) 1.8 0.0 2.2 assign (resid 113 and name HN )(resid 113 and name HB2 ) 1.8 0.0 2.2 assign (resid 113 and name HN )(resid 114 and name HN ) 1.8 0.0 2.48 assign (resid 113 and name HN )(resid 115 and name HN ) 1.8 0.0 4.07 assign (resid 114 and name HA )(resid 117 and name HB* ) 1.8 0.0 2.31 assign (resid 114 and name HA )(resid 117 and name HD* ) 1.8 0.0 2.83 assign (resid 114 and name HA )(resid 117 and name HE ) 1.8 0.0 4.25 assign (resid 114 and name HA )(resid 117 and name HG1 ) 1.8 0.0 3.84 assign (resid 114 and name HA )(resid 117 and name HG2 ) 1.8 0.0 3.84 assign (resid 114 and name HA )(resid 117 and name HN ) 1.8 0.0 2.84 assign (resid 114 and name HB* )(resid 114 and name HE2* ) 1.8 0.0 2.83 assign (resid 114 and name HB* )(resid 115 and name HN ) 1.8 0.0 2.61 assign (resid 114 and name HG* )(resid 114 and name HE2* ) 1.8 0.0 1.67 assign (resid 114 and name HN )(resid 114 and name HG* ) 1.8 0.0 2.02 assign (resid 114 and name HN )(resid 115 and name HN ) 1.8 0.0 2.4 assign (resid 115 and name HA )(resid 115 and name HD* ) 1.8 0.0 1.47 assign (resid 115 and name HA )(resid 115 and name HD1* ) 1.8 0.0 2.45 assign (resid 115 and name HA )(resid 115 and name HD2* ) 1.8 0.0 2.45 assign (resid 115 and name HA )(resid 116 and name HG2* ) 1.8 0.0 3.5 assign (resid 115 and name HB* )(resid 116 and name HG2* ) 1.8 0.0 1.86 assign (resid 115 and name HB1 )(resid 115 and name HD1* ) 1.8 0.0 2.42 assign (resid 115 and name HB1 )(resid 115 and name HD2* ) 1.8 0.0 2.42 assign (resid 115 and name HB1 )(resid 116 and name HA ) 1.8 0.0 3.66 assign (resid 115 and name HB1 )(resid 116 and name HN ) 1.8 0.0 3.6 assign (resid 115 and name HB2 )(resid 115 and name HD1* ) 1.8 0.0 2.42 assign (resid 115 and name HB2 )(resid 115 and name HD2* ) 1.8 0.0 2.42 assign (resid 115 and name HB2 )(resid 116 and name HA ) 1.8 0.0 3.66 assign (resid 115 and name HB2 )(resid 116 and name HN ) 1.8 0.0 3.6 assign (resid 115 and name HN )(resid 115 and name HB1 ) 1.8 0.0 2.24 assign (resid 115 and name HN )(resid 115 and name HB2 ) 1.8 0.0 2.24 assign (resid 115 and name HN )(resid 115 and name HD* ) 1.8 0.0 2.48 assign (resid 115 and name HN )(resid 115 and name HG ) 1.8 0.0 2.41 assign (resid 115 and name HN )(resid 116 and name HG2* ) 1.8 0.0 3.74 assign (resid 115 and name HN )(resid 116 and name HN ) 1.8 0.0 2.25 assign (resid 115 and name HN )(resid 117 and name HN ) 1.8 0.0 3.27 assign (resid 116 and name HA )(resid 116 and name HG2* ) 1.8 0.0 1.71 assign (resid 116 and name HB )(resid 117 and name HN ) 1.8 0.0 3.36 assign (resid 116 and name HG* )(resid 117 and name HN ) 1.8 0.0 3.09 assign (resid 116 and name HG2* )(resid 117 and name HN ) 1.8 0.0 3.27 assign (resid 116 and name HN )(resid 116 and name HG* ) 1.8 0.0 2.2 assign (resid 116 and name HN )(resid 116 and name HG2* ) 1.8 0.0 2.08 assign (resid 116 and name HN )(resid 117 and name HN ) 1.8 0.0 1.64 assign (resid 117 and name HA )(resid 117 and name HG1 ) 1.8 0.0 2.51 assign (resid 117 and name HA )(resid 117 and name HG2 ) 1.8 0.0 2.51 assign (resid 117 and name HA )(resid 118 and name HA ) 1.8 0.0 3.71 assign (resid 117 and name HA )(resid 118 and name HN ) 1.8 0.0 1.83 assign (resid 117 and name HB* )(resid 117 and name HD* ) 1.8 0.0 1.75 assign (resid 117 and name HB* )(resid 118 and name HN ) 1.8 0.0 2.62 assign (resid 117 and name HB1 )(resid 117 and name HE ) 1.8 0.0 4.25 assign (resid 117 and name HB2 )(resid 117 and name HE ) 1.8 0.0 4.25 assign (resid 117 and name HG* )(resid 118 and name HN ) 1.8 0.0 3.53 assign (resid 117 and name HN )(resid 117 and name HB* ) 1.8 0.0 1.47 assign (resid 117 and name HN )(resid 117 and name HG1 ) 1.8 0.0 3.13 assign (resid 117 and name HN )(resid 117 and name HG2 ) 1.8 0.0 3.13 assign (resid 117 and name HN )(resid 118 and name HN ) 1.8 0.0 3.24 assign (resid 118 and name HA )(resid 118 and name HD1* ) 1.8 0.0 2.59 assign (resid 118 and name HA )(resid 118 and name HG ) 1.8 0.0 2.24 assign (resid 118 and name HA )(resid 119 and name HB* ) 1.8 0.0 3.51 assign (resid 118 and name HA )(resid 119 and name HN ) 1.8 0.0 1.13 assign (resid 118 and name HB* )(resid 118 and name HD1* ) 1.8 0.0 1.32 assign (resid 118 and name HB* )(resid 118 and name HD2* ) 1.8 0.0 1.36 assign (resid 118 and name HB* )(resid 119 and name HA ) 1.8 0.0 3.14 assign (resid 118 and name HB* )(resid 119 and name HN ) 1.8 0.0 2.8 assign (resid 118 and name HB* )(resid 120 and name HN ) 1.8 0.0 3.92 assign (resid 118 and name HD2* )(resid 119 and name HG* ) 1.8 0.0 3.66 assign (resid 118 and name HD2* )(resid 119 and name HN ) 1.8 0.0 3.2 assign (resid 118 and name HN )(resid 118 and name HB* ) 1.8 0.0 1.68 assign (resid 118 and name HN )(resid 118 and name HD1* ) 1.8 0.0 2.48 assign (resid 118 and name HN )(resid 118 and name HD2* ) 1.8 0.0 3.56 assign (resid 118 and name HN )(resid 118 and name HG ) 1.8 0.0 2.36 assign (resid 119 and name HA )(resid 119 and name HG1 ) 1.8 0.0 2.57 assign (resid 119 and name HA )(resid 119 and name HG2 ) 1.8 0.0 2.57 assign (resid 119 and name HA )(resid 120 and name HB* ) 1.8 0.0 3.55 assign (resid 119 and name HA )(resid 120 and name HN ) 1.8 0.0 1.09 assign (resid 119 and name HB1 )(resid 120 and name HN ) 1.8 0.0 3.87 assign (resid 119 and name HB2 )(resid 120 and name HN ) 1.8 0.0 3.87 assign (resid 119 and name HG* )(resid 120 and name HA ) 1.8 0.0 4.09 assign (resid 119 and name HG1 )(resid 120 and name HN ) 1.8 0.0 4.25 assign (resid 119 and name HG2 )(resid 120 and name HN ) 1.8 0.0 4.25 assign (resid 119 and name HN )(resid 119 and name HB* ) 1.8 0.0 1.98 assign (resid 119 and name HN )(resid 119 and name HG1 ) 1.8 0.0 2.7 assign (resid 119 and name HN )(resid 119 and name HG2 ) 1.8 0.0 2.7 assign (resid 119 and name HN )(resid 120 and name HB* ) 1.8 0.0 3.64 assign (resid 120 and name HA )(resid 121 and name HN ) 1.8 0.0 1.67 assign (resid 120 and name HB* )(resid 121 and name HN ) 1.8 0.0 2.31 assign (resid 121 and name HA )(resid 122 and name HN ) 1.8 0.0 1.2 assign (resid 121 and name HB* )(resid 122 and name HN ) 1.8 0.0 1.62 assign (resid 122 and name HA )(resid 123 and name HN ) 1.8 0.0 1.76 assign (resid 122 and name HB* )(resid 123 and name HN ) 1.8 0.0 2.61 assign (resid 123 and name HA )(resid 124 and name HN ) 1.8 0.0 1.76 ! PHI for ARG 3 assign (resid 2 and name C ) (resid 3 and name N ) (resid 3 and name CA ) (resid 3 and name C ) 1.0 -61.05 20 2 ! PSI for ARG 3 assign (resid 3 and name N ) (resid 3 and name CA ) (resid 3 and name C ) (resid 4 and name N ) 1.0 -34.92 20 2 ! PHI for GLN 4 assign (resid 3 and name C ) (resid 4 and name N ) (resid 4 and name CA ) (resid 4 and name C ) 1.0 -61.99 20 2 ! PSI for GLN 4 assign (resid 4 and name N ) (resid 4 and name CA ) (resid 4 and name C ) (resid 5 and name N ) 1.0 -43.75 20 2 ! PHI for GLN 5 assign (resid 4 and name C ) (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) 1.0 -64.91 20 2 ! PSI for GLN 5 assign (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) (resid 6 and name N ) 1.0 -37.44 20 2 ! PHI for PHE 6 assign (resid 5 and name C ) (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) 1.0 -64.2 20 2 ! PSI for PHE 6 assign (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) (resid 7 and name N ) 1.0 -45.67 20 2 ! PHI for ILE 7 assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) 1.0 -59.68 20 2 ! PSI for ILE 7 assign (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) (resid 8 and name N ) 1.0 -45.84 20 2 ! PHI for ASP 8 assign (resid 7 and name C ) (resid 8 and name N ) (resid 8 and name CA ) (resid 8 and name C ) 1.0 -62.71 20 2 ! PSI for ASP 8 assign (resid 8 and name N ) (resid 8 and name CA ) (resid 8 and name C ) (resid 9 and name N ) 1.0 -41.42 20 2 ! PHI for TYR 9 assign (resid 8 and name C ) (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name C ) 1.0 -63.05 20 2 ! PSI for TYR 9 assign (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name C ) (resid 10 and name N ) 1.0 -44.19 20 2 ! PHI for ALA 10 assign (resid 9 and name C ) (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) 1.0 -60.46 20 2 ! PSI for ALA 10 assign (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) (resid 11 and name N ) 1.0 -42.82 20 2 ! PHI for GLN 11 assign (resid 10 and name C ) (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) 1.0 -61.21 20 2 ! PSI for GLN 11 assign (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) (resid 12 and name N ) 1.0 -41.71 20 2 ! PHI for LYS 12 assign (resid 11 and name C ) (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) 1.0 -64.31 20 2 ! PSI for LYS 12 assign (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) (resid 13 and name N ) 1.0 -39.37 20 2 ! PHI for LYS 13 assign (resid 12 and name C ) (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name C ) 1.0 -67.26 20 2 ! PSI for LYS 13 assign (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name C ) (resid 14 and name N ) 1.0 -32.79 20 2 ! PHI for TYR 14 assign (resid 13 and name C ) (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name C ) 1.0 -114.7 30 2 ! PSI for TYR 14 assign (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name C ) (resid 15 and name N ) 1.0 9.28 30 2 ! PHI for THR 16 assign (resid 15 and name C ) (resid 16 and name N ) (resid 16 and name CA ) (resid 16 and name C ) 1.0 -109.92 30 2 ! PSI for THR 16 assign (resid 16 and name N ) (resid 16 and name CA ) (resid 16 and name C ) (resid 17 and name N ) 1.0 139.72 30 2 ! PHI for LYS 17 assign (resid 16 and name C ) (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) 1.0 -112.74 30 2 ! PSI for LYS 17 assign (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) (resid 18 and name N ) 1.0 125.39 30 2 ! PHI for PRO 18 assign (resid 17 and name C ) (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) 1.0 -75.74 30 2 ! PSI for PRO 18 assign (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) (resid 19 and name N ) 1.0 144.09 30 2 ! PHI for ASP 19 assign (resid 18 and name C ) (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) 1.0 -131.91 30 2 ! PSI for ASP 19 assign (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) (resid 20 and name N ) 1.0 152.24 30 2 ! PHI for HIS 20 assign (resid 19 and name C ) (resid 20 and name N ) (resid 20 and name CA ) (resid 20 and name C ) 1.0 -116.47 30 2 ! PSI for HIS 20 assign (resid 20 and name N ) (resid 20 and name CA ) (resid 20 and name C ) (resid 21 and name N ) 1.0 117.73 30 2 ! PHI for TRP 22 assign (resid 21 and name C ) (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) 1.0 -95.92 30 2 ! PSI for TRP 22 assign (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) (resid 23 and name N ) 1.0 106.5 30 2 ! PHI for GLU 23 assign (resid 22 and name C ) (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) 1.0 -64.68 30 2 ! PSI for GLU 23 assign (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) (resid 24 and name N ) 1.0 -37.53 30 2 ! PHI for LYS 24 assign (resid 23 and name C ) (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) 1.0 -76.29 30 2 ! PSI for LYS 24 assign (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) (resid 25 and name N ) 1.0 -12.51 30 2 ! PHI for PRO 26 assign (resid 25 and name C ) (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) 1.0 -59.99 30 2 ! PSI for PRO 26 assign (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) (resid 27 and name N ) 1.0 -20.3 30 2 ! PHI for ASP 27 assign (resid 26 and name C ) (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) 1.0 -87.28 30 2 ! PSI for ASP 27 assign (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) (resid 28 and name N ) 1.0 -4.47 30 2 ! PHI for TYR 28 assign (resid 27 and name C ) (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) 1.0 -102.1 30 2 ! PSI for TYR 28 assign (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) (resid 29 and name N ) 1.0 133.89 30 2 ! PHI for ALA 29 assign (resid 28 and name C ) (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) 1.0 -129.1 30 2 ! PSI for ALA 29 assign (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) (resid 30 and name N ) 1.0 144.8 30 2 ! PHI for VAL 30 assign (resid 29 and name C ) (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) 1.0 -121.81 30 2 ! PSI for VAL 30 assign (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) (resid 31 and name N ) 1.0 145.48 30 2 ! PHI for PHE 31 assign (resid 30 and name C ) (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name C ) 1.0 -104.34 30 2 ! PSI for PHE 31 assign (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name C ) (resid 32 and name N ) 1.0 126.39 30 2 ! PHI for ARG 32 assign (resid 31 and name C ) (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) 1.0 -128.98 30 2 ! PSI for ARG 32 assign (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) (resid 33 and name N ) 1.0 162.25 30 2 ! PHI for HIS 33 assign (resid 32 and name C ) (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) 1.0 -69.36 30 2 ! PSI for HIS 33 assign (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) (resid 34 and name N ) 1.0 140.19 30 2 ! PHI for SER 34 assign (resid 33 and name C ) (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) 1.0 -71.63 30 2 ! PSI for SER 34 assign (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) (resid 35 and name N ) 1.0 -19.79 30 2 ! PHI for ASP 35 assign (resid 34 and name C ) (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name C ) 1.0 -79.2 30 2 ! PSI for ASP 35 assign (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name C ) (resid 36 and name N ) 1.0 -13.41 30 2 ! PHI for ASN 36 assign (resid 35 and name C ) (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) 1.0 -91.8 30 2 ! PSI for ASN 36 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) (resid 37 and name N ) 1.0 -0.01 30 2 ! PHI for TYR 40 assign (resid 39 and name C ) (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) 1.0 -128.26 30 2 ! PSI for TYR 40 assign (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) (resid 41 and name N ) 1.0 156.42 30 2 ! PHI for ALA 41 assign (resid 40 and name C ) (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) 1.0 -120.29 30 2 ! PSI for ALA 41 assign (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) (resid 42 and name N ) 1.0 135.9 30 2 ! PHI for LEU 42 assign (resid 41 and name C ) (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) 1.0 -130.15 30 2 ! PSI for LEU 42 assign (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) (resid 43 and name N ) 1.0 124.87 30 2 ! PHI for LEU 43 assign (resid 42 and name C ) (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) 1.0 -114.25 30 2 ! PSI for LEU 43 assign (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) (resid 44 and name N ) 1.0 133.82 30 2 ! PHI for MET 44 assign (resid 43 and name C ) (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name C ) 1.0 -132.64 30 2 ! PSI for MET 44 assign (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name C ) (resid 45 and name N ) 1.0 153.72 30 2 ! PHI for ASP 45 assign (resid 44 and name C ) (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) 1.0 -116.31 30 2 ! PSI for ASP 45 assign (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) (resid 46 and name N ) 1.0 144.37 30 2 ! PHI for ILE 46 assign (resid 45 and name C ) (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) 1.0 -130.03 30 2 ! PSI for ILE 46 assign (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) (resid 47 and name N ) 1.0 111.97 30 2 ! PHI for PRO 47 assign (resid 46 and name C ) (resid 47 and name N ) (resid 47 and name CA ) (resid 47 and name C ) 1.0 -76.63 30 2 ! PSI for PRO 47 assign (resid 47 and name N ) (resid 47 and name CA ) (resid 47 and name C ) (resid 48 and name N ) 1.0 132.98 30 2 ! PHI for ALA 48 assign (resid 47 and name C ) (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) 1.0 -56.02 20 2 ! PSI for ALA 48 assign (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) (resid 49 and name N ) 1.0 -41.25 20 2 ! PHI for GLU 49 assign (resid 48 and name C ) (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) 1.0 -61.87 20 2 ! PSI for GLU 49 assign (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) (resid 50 and name N ) 1.0 -34.98 20 2 ! PHI for LYS 50 assign (resid 49 and name C ) (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) 1.0 -64.56 20 2 ! PSI for LYS 50 assign (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) (resid 51 and name N ) 1.0 -27.69 20 2 ! PHI for ILE 51 assign (resid 50 and name C ) (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) 1.0 -97.45 30 2 ! PSI for ILE 51 assign (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) (resid 52 and name N ) 1.0 0.87 30 2 ! PHI for GLY 52 assign (resid 51 and name C ) (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) 1.0 91.87 30 2 ! PSI for GLY 52 assign (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) (resid 53 and name N ) 1.0 7.97 30 2 ! PHI for ILE 53 assign (resid 52 and name C ) (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) 1.0 -108.8 30 2 ! PSI for ILE 53 assign (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) (resid 54 and name N ) 1.0 125.42 30 2 ! PHI for VAL 59 assign (resid 58 and name C ) (resid 59 and name N ) (resid 59 and name CA ) (resid 59 and name C ) 1.0 -134.39 30 2 ! PSI for VAL 59 assign (resid 59 and name N ) (resid 59 and name CA ) (resid 59 and name C ) (resid 60 and name N ) 1.0 158.68 30 2 ! PHI for ASP 60 assign (resid 59 and name C ) (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) 1.0 -119.48 30 2 ! PSI for ASP 60 assign (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) (resid 61 and name N ) 1.0 135.56 30 2 ! PHI for VAL 61 assign (resid 60 and name C ) (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) 1.0 -136.11 30 2 ! PSI for VAL 61 assign (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) (resid 62 and name N ) 1.0 160.33 30 2 ! PHI for ILE 62 assign (resid 61 and name C ) (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name C ) 1.0 -131.64 30 2 ! PSI for ILE 62 assign (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name C ) (resid 63 and name N ) 1.0 158.54 30 2 ! PHI for LEU 64 assign (resid 63 and name C ) (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) 1.0 -124.43 30 2 ! PSI for LEU 64 assign (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) (resid 65 and name N ) 1.0 134.31 30 2 ! PHI for LYS 65 assign (resid 64 and name C ) (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) 1.0 -112.43 30 2 ! PSI for LYS 65 assign (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) (resid 66 and name N ) 1.0 130.15 30 2 ! PHI for VAL 66 assign (resid 65 and name C ) (resid 66 and name N ) (resid 66 and name CA ) (resid 66 and name C ) 1.0 -135.02 30 2 ! PSI for VAL 66 assign (resid 66 and name N ) (resid 66 and name CA ) (resid 66 and name C ) (resid 67 and name N ) 1.0 155.92 30 2 ! PHI for GLN 67 assign (resid 66 and name C ) (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name C ) 1.0 -80.44 30 2 ! PSI for GLN 67 assign (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name C ) (resid 68 and name N ) 1.0 139.76 30 2 ! PHI for PRO 68 assign (resid 67 and name C ) (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name C ) 1.0 -52.65 30 2 ! PSI for PRO 68 assign (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name C ) (resid 69 and name N ) 1.0 -35.08 30 2 ! PHI for LEU 70 assign (resid 69 and name C ) (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name C ) 1.0 -92.34 20 2 ! PSI for LEU 70 assign (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name C ) (resid 71 and name N ) 1.0 -8.84 20 2 ! PHI for VAL 71 assign (resid 70 and name C ) (resid 71 and name N ) (resid 71 and name CA ) (resid 71 and name C ) 1.0 -61.65 20 2 ! PSI for VAL 71 assign (resid 71 and name N ) (resid 71 and name CA ) (resid 71 and name C ) (resid 72 and name N ) 1.0 -46.23 20 2 ! PHI for GLY 72 assign (resid 71 and name C ) (resid 72 and name N ) (resid 72 and name CA ) (resid 72 and name C ) 1.0 -62.19 20 2 ! PSI for GLY 72 assign (resid 72 and name N ) (resid 72 and name CA ) (resid 72 and name C ) (resid 73 and name N ) 1.0 -35.8 20 2 ! PHI for SER 73 assign (resid 72 and name C ) (resid 73 and name N ) (resid 73 and name CA ) (resid 73 and name C ) 1.0 -65.45 20 2 ! PSI for SER 73 assign (resid 73 and name N ) (resid 73 and name CA ) (resid 73 and name C ) (resid 74 and name N ) 1.0 -39.14 20 2 ! PHI for LEU 74 assign (resid 73 and name C ) (resid 74 and name N ) (resid 74 and name CA ) (resid 74 and name C ) 1.0 -64.77 20 2 ! PSI for LEU 74 assign (resid 74 and name N ) (resid 74 and name CA ) (resid 74 and name C ) (resid 75 and name N ) 1.0 -44.06 20 2 ! PHI for ARG 75 assign (resid 74 and name C ) (resid 75 and name N ) (resid 75 and name CA ) (resid 75 and name C ) 1.0 -65.12 20 2 ! PSI for ARG 75 assign (resid 75 and name N ) (resid 75 and name CA ) (resid 75 and name C ) (resid 76 and name N ) 1.0 -25.83 20 2 ! PHI for LYS 76 assign (resid 75 and name C ) (resid 76 and name N ) (resid 76 and name CA ) (resid 76 and name C ) 1.0 -89.7 20 2 ! PSI for LYS 76 assign (resid 76 and name N ) (resid 76 and name CA ) (resid 76 and name C ) (resid 77 and name N ) 1.0 -10.98 20 2 ! PHI for LYS 77 assign (resid 76 and name C ) (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name C ) 1.0 -68.36 30 2 ! PSI for LYS 77 assign (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name C ) (resid 78 and name N ) 1.0 139.49 30 2 ! PHI for PRO 78 assign (resid 77 and name C ) (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name C ) 1.0 -62.92 30 2 ! PSI for PRO 78 assign (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name C ) (resid 79 and name N ) 1.0 148.1 30 2 ! PHI for ILE 80 assign (resid 79 and name C ) (resid 80 and name N ) (resid 80 and name CA ) (resid 80 and name C ) 1.0 -93.7 30 2 ! PSI for ILE 80 assign (resid 80 and name N ) (resid 80 and name CA ) (resid 80 and name C ) (resid 81 and name N ) 1.0 126.92 30 2 ! PHI for TYR 81 assign (resid 80 and name C ) (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name C ) 1.0 -93.46 30 2 ! PSI for TYR 81 assign (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name C ) (resid 82 and name N ) 1.0 127.62 30 2 ! PHI for PRO 82 assign (resid 81 and name C ) (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) 1.0 -60.25 30 2 ! PSI for PRO 82 assign (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) (resid 83 and name N ) 1.0 144.91 30 2 ! PHI for TRP 91 assign (resid 90 and name C ) (resid 91 and name N ) (resid 91 and name CA ) (resid 91 and name C ) 1.0 -125.19 30 2 ! PSI for TRP 91 assign (resid 91 and name N ) (resid 91 and name CA ) (resid 91 and name C ) (resid 92 and name N ) 1.0 149.64 30 2 ! PHI for ILE 92 assign (resid 91 and name C ) (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name C ) 1.0 -134.61 30 2 ! PSI for ILE 92 assign (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name C ) (resid 93 and name N ) 1.0 151.86 30 2 ! PHI for THR 93 assign (resid 92 and name C ) (resid 93 and name N ) (resid 93 and name CA ) (resid 93 and name C ) 1.0 -101.81 30 2 ! PSI for THR 93 assign (resid 93 and name N ) (resid 93 and name CA ) (resid 93 and name C ) (resid 94 and name N ) 1.0 132.86 30 2 ! PHI for VAL 94 assign (resid 93 and name C ) (resid 94 and name N ) (resid 94 and name CA ) (resid 94 and name C ) 1.0 -111.08 30 2 ! PSI for VAL 94 assign (resid 94 and name N ) (resid 94 and name CA ) (resid 94 and name C ) (resid 95 and name N ) 1.0 133.75 30 2 ! PHI for LEU 95 assign (resid 94 and name C ) (resid 95 and name N ) (resid 95 and name CA ) (resid 95 and name C ) 1.0 -114.8 30 2 ! PSI for LEU 95 assign (resid 95 and name N ) (resid 95 and name CA ) (resid 95 and name C ) (resid 96 and name N ) 1.0 127.69 30 2 ! PHI for ALA 102 assign (resid 101 and name C ) (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name C ) 1.0 -58.85 30 2 ! PSI for ALA 102 assign (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name C ) (resid 103 and name N ) 1.0 -41.58 30 2 ! PHI for LYS 103 assign (resid 102 and name C ) (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name C ) 1.0 -63.07 20 2 ! PSI for LYS 103 assign (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name C ) (resid 104 and name N ) 1.0 -39.97 20 2 ! PHI for GLU 104 assign (resid 103 and name C ) (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name C ) 1.0 -66.39 20 2 ! PSI for GLU 104 assign (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name C ) (resid 105 and name N ) 1.0 -42.8 20 2 ! PHI for ILE 105 assign (resid 104 and name C ) (resid 105 and name N ) (resid 105 and name CA ) (resid 105 and name C ) 1.0 -64.22 20 2 ! PSI for ILE 105 assign (resid 105 and name N ) (resid 105 and name CA ) (resid 105 and name C ) (resid 106 and name N ) 1.0 -41.26 20 2 ! PHI for HIS 106 assign (resid 105 and name C ) (resid 106 and name N ) (resid 106 and name CA ) (resid 106 and name C ) 1.0 -64.69 20 2 ! PSI for HIS 106 assign (resid 106 and name N ) (resid 106 and name CA ) (resid 106 and name C ) (resid 107 and name N ) 1.0 -39.7 20 2 ! PHI for SER 107 assign (resid 106 and name C ) (resid 107 and name N ) (resid 107 and name CA ) (resid 107 and name C ) 1.0 -64.37 20 2 ! PSI for SER 107 assign (resid 107 and name N ) (resid 107 and name CA ) (resid 107 and name C ) (resid 108 and name N ) 1.0 -40.83 20 2 ! PHI for LEU 108 assign (resid 107 and name C ) (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name C ) 1.0 -65.46 20 2 ! PSI for LEU 108 assign (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name C ) (resid 109 and name N ) 1.0 -39.75 20 2 ! PHI for ILE 109 assign (resid 108 and name C ) (resid 109 and name N ) (resid 109 and name CA ) (resid 109 and name C ) 1.0 -64.41 20 2 ! PSI for ILE 109 assign (resid 109 and name N ) (resid 109 and name CA ) (resid 109 and name C ) (resid 110 and name N ) 1.0 -44.87 20 2 ! PHI for GLU 110 assign (resid 109 and name C ) (resid 110 and name N ) (resid 110 and name CA ) (resid 110 and name C ) 1.0 -63.43 20 2 ! PSI for GLU 110 assign (resid 110 and name N ) (resid 110 and name CA ) (resid 110 and name C ) (resid 111 and name N ) 1.0 -38.67 20 2 ! PHI for ASP 111 assign (resid 110 and name C ) (resid 111 and name N ) (resid 111 and name CA ) (resid 111 and name C ) 1.0 -63.32 20 2 ! PSI for ASP 111 assign (resid 111 and name N ) (resid 111 and name CA ) (resid 111 and name C ) (resid 112 and name N ) 1.0 -40.98 20 2 ! PHI for SER 112 assign (resid 111 and name C ) (resid 112 and name N ) (resid 112 and name CA ) (resid 112 and name C ) 1.0 -65.31 20 2 ! PSI for SER 112 assign (resid 112 and name N ) (resid 112 and name CA ) (resid 112 and name C ) (resid 113 and name N ) 1.0 -40.73 20 2 ! PHI for PHE 113 assign (resid 112 and name C ) (resid 113 and name N ) (resid 113 and name CA ) (resid 113 and name C ) 1.0 -65.7 20 2 ! PSI for PHE 113 assign (resid 113 and name N ) (resid 113 and name CA ) (resid 113 and name C ) (resid 114 and name N ) 1.0 -43.18 20 2 ! PHI for GLN 114 assign (resid 113 and name C ) (resid 114 and name N ) (resid 114 and name CA ) (resid 114 and name C ) 1.0 -64.73 20 2 ! PSI for GLN 114 assign (resid 114 and name N ) (resid 114 and name CA ) (resid 114 and name C ) (resid 115 and name N ) 1.0 -42.39 20 2 ! PHI for LEU 115 assign (resid 114 and name C ) (resid 115 and name N ) (resid 115 and name CA ) (resid 115 and name C ) 1.0 -65.17 20 2 ! PSI for LEU 115 assign (resid 115 and name N ) (resid 115 and name CA ) (resid 115 and name C ) (resid 116 and name N ) 1.0 -34.28 20 2 ! PHI for THR 116 assign (resid 115 and name C ) (resid 116 and name N ) (resid 116 and name CA ) (resid 116 and name C ) 1.0 -109.43 20 2 ! PSI for THR 116 assign (resid 116 and name N ) (resid 116 and name CA ) (resid 116 and name C ) (resid 117 and name N ) 1.0 -6.3 20 2 ! Hydrogen Bond restraints used in refinement ! Identification of hydrogen bonds from Rosetta refined structures ! Restraint range is HN-O 1.7-2.3 Ang, N-O 2.7-3.3 Ang assign (resid 6 and name HN )(resid 2 and name O ) 1.7 0.0 0.6 assign (resid 6 and name N )(resid 2 and name O ) 2.7 0.0 0.6 assign (resid 7 and name HN )(resid 3 and name O ) 1.7 0.0 0.6 assign (resid 7 and name N )(resid 3 and name O ) 2.7 0.0 0.6 assign (resid 8 and name HN )(resid 4 and name O ) 1.7 0.0 0.6 assign (resid 8 and name N )(resid 4 and name O ) 2.7 0.0 0.6 assign (resid 9 and name HN )(resid 5 and name O ) 1.7 0.0 0.6 assign (resid 9 and name N )(resid 5 and name O ) 2.7 0.0 0.6 assign (resid 10 and name HN )(resid 6 and name O ) 1.7 0.0 0.6 assign (resid 10 and name N )(resid 6 and name O ) 2.7 0.0 0.6 assign (resid 11 and name HN )(resid 7 and name O ) 1.7 0.0 0.6 assign (resid 11 and name N )(resid 7 and name O ) 2.7 0.0 0.6 assign (resid 12 and name HN )(resid 8 and name O ) 1.7 0.0 0.6 assign (resid 12 and name N )(resid 8 and name O ) 2.7 0.0 0.6 assign (resid 13 and name HN )(resid 9 and name O ) 1.7 0.0 0.6 assign (resid 13 and name N )(resid 9 and name O ) 2.7 0.0 0.6 assign (resid 19 and name HN )(resid 30 and name O ) 1.7 0.0 0.6 assign (resid 19 and name N )(resid 30 and name O ) 2.7 0.0 0.6 assign (resid 28 and name HN )(resid 25 and name O ) 1.7 0.0 0.6 assign (resid 28 and name N )(resid 25 and name O ) 2.7 0.0 0.6 assign (resid 29 and name HN )(resid 43 and name O ) 1.7 0.0 0.6 assign (resid 29 and name N )(resid 43 and name O ) 2.7 0.0 0.6 assign (resid 30 and name HN )(resid 19 and name O ) 1.7 0.0 0.6 assign (resid 30 and name N )(resid 19 and name O ) 2.7 0.0 0.6 assign (resid 31 and name HN )(resid 41 and name O ) 1.7 0.0 0.6 assign (resid 31 and name N )(resid 41 and name O ) 2.7 0.0 0.6 assign (resid 43 and name HN )(resid 29 and name O ) 1.7 0.0 0.6 assign (resid 43 and name N )(resid 29 and name O ) 2.7 0.0 0.6 assign (resid 44 and name HN )(resid 61 and name O ) 1.7 0.0 0.6 assign (resid 44 and name N )(resid 61 and name O ) 2.7 0.0 0.6 assign (resid 46 and name HN )(resid 59 and name O ) 1.7 0.0 0.6 assign (resid 46 and name N )(resid 59 and name O ) 2.7 0.0 0.6 assign (resid 48 and name HN )(resid 57 and name O ) 1.7 0.0 0.6 assign (resid 48 and name N )(resid 57 and name O ) 2.7 0.0 0.6 assign (resid 50 and name HN )(resid 47 and name O ) 1.7 0.0 0.6 assign (resid 50 and name N )(resid 47 and name O ) 2.7 0.0 0.6 assign (resid 59 and name HN )(resid 46 and name O ) 1.7 0.0 0.6 assign (resid 59 and name N )(resid 46 and name O ) 2.7 0.0 0.6 assign (resid 61 and name HN )(resid 44 and name O ) 1.7 0.0 0.6 assign (resid 61 and name N )(resid 44 and name O ) 2.7 0.0 0.6 assign (resid 62 and name HN )(resid 94 and name O ) 1.7 0.0 0.6 assign (resid 62 and name N )(resid 94 and name O ) 2.7 0.0 0.6 assign (resid 63 and name HN )(resid 42 and name O ) 1.7 0.0 0.6 assign (resid 63 and name N )(resid 42 and name O ) 2.7 0.0 0.6 assign (resid 64 and name HN )(resid 92 and name O ) 1.7 0.0 0.6 assign (resid 64 and name N )(resid 92 and name O ) 2.7 0.0 0.6 assign (resid 66 and name HN )(resid 90 and name O ) 1.7 0.0 0.6 assign (resid 66 and name N )(resid 90 and name O ) 2.7 0.0 0.6 assign (resid 81 and name HN )(resid 93 and name O ) 1.7 0.0 0.6 assign (resid 81 and name N )(resid 93 and name O ) 2.7 0.0 0.6 !assign (resid 83 and name HN )(resid 91 and name O ) 1.7 0.0 0.6 !assign (resid 83 and name N )(resid 91 and name O ) 2.7 0.0 0.6 assign (resid 92 and name HN )(resid 64 and name O ) 1.7 0.0 0.6 assign (resid 92 and name N )(resid 64 and name O ) 2.7 0.0 0.6 assign (resid 93 and name HN )(resid 81 and name O ) 1.7 0.0 0.6 assign (resid 93 and name N )(resid 81 and name O ) 2.7 0.0 0.6 assign (resid 94 and name HN )(resid 62 and name O ) 1.7 0.0 0.6 assign (resid 94 and name N )(resid 62 and name O ) 2.7 0.0 0.6 assign (resid 95 and name HN )(resid 79 and name O ) 1.7 0.0 0.6 assign (resid 95 and name N )(resid 79 and name O ) 2.7 0.0 0.6 assign (resid 96 and name HN )(resid 60 and name O ) 1.7 0.0 0.6 assign (resid 96 and name N )(resid 60 and name O ) 2.7 0.0 0.6 assign (resid 105 and name HN )(resid 101 and name O ) 1.7 0.0 0.6 assign (resid 105 and name N )(resid 101 and name O ) 2.7 0.0 0.6 assign (resid 106 and name HN )(resid 102 and name O ) 1.7 0.0 0.6 assign (resid 106 and name N )(resid 102 and name O ) 2.7 0.0 0.6 assign (resid 107 and name HN )(resid 103 and name O ) 1.7 0.0 0.6 assign (resid 107 and name N )(resid 103 and name O ) 2.7 0.0 0.6 assign (resid 108 and name HN )(resid 104 and name O ) 1.7 0.0 0.6 assign (resid 108 and name N )(resid 104 and name O ) 2.7 0.0 0.6 assign (resid 109 and name HN )(resid 105 and name O ) 1.7 0.0 0.6 assign (resid 109 and name N )(resid 105 and name O ) 2.7 0.0 0.6 assign (resid 110 and name HN )(resid 106 and name O ) 1.7 0.0 0.6 assign (resid 110 and name N )(resid 106 and name O ) 2.7 0.0 0.6 assign (resid 111 and name HN )(resid 107 and name O ) 1.7 0.0 0.6 assign (resid 111 and name N )(resid 107 and name O ) 2.7 0.0 0.6 assign (resid 112 and name HN )(resid 108 and name O ) 1.7 0.0 0.6 assign (resid 112 and name N )(resid 108 and name O ) 2.7 0.0 0.6 assign (resid 113 and name HN )(resid 109 and name O ) 1.7 0.0 0.6 assign (resid 113 and name N )(resid 109 and name O ) 2.7 0.0 0.6 assign (resid 114 and name HN )(resid 110 and name O ) 1.7 0.0 0.6 assign (resid 114 and name N )(resid 110 and name O ) 2.7 0.0 0.6 ! created by AutoStructure/RPF Version 2.2.1 Copyright(C) 2007 ! ASN 2 assign (resid 1 and name C ) (resid 2 and name N ) (resid 2 and name CA ) (resid 2 and name C ) (resid 3 and name N ) 51 40.22 ! ARG 3 assign (resid 2 and name C ) (resid 3 and name N ) (resid 3 and name CA ) (resid 3 and name C ) (resid 4 and name N ) 60.35 30.9 ! GLN 4 assign (resid 3 and name C ) (resid 4 and name N ) (resid 4 and name CA ) (resid 4 and name C ) (resid 5 and name N ) 58.9 28.2 ! GLN 5 assign (resid 4 and name C ) (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) (resid 6 and name N ) 58.5 28.9 ! PHE 6 assign (resid 5 and name C ) (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) (resid 7 and name N ) 62.55 38.95 ! ILE 7 assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) (resid 8 and name N ) 66.4 38.5 ! ASP 8 assign (resid 7 and name C ) (resid 8 and name N ) (resid 8 and name CA ) (resid 8 and name C ) (resid 9 and name N ) 57.39 40.68 ! TYR 9 assign (resid 8 and name C ) (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name C ) (resid 10 and name N ) 61.7 38.6 ! ALA 10 assign (resid 9 and name C ) (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) (resid 11 and name N ) 55.28 17.3 ! GLN 11 assign (resid 10 and name C ) (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) (resid 12 and name N ) 59.31 28.71 ! LYS 12 assign (resid 11 and name C ) (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) (resid 13 and name N ) 58.75 32.76 ! LYS 13 assign (resid 12 and name C ) (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name C ) (resid 14 and name N ) 56.9 32 ! TYR 14 assign (resid 13 and name C ) (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name C ) (resid 15 and name N ) 56.69 39.5 ! ASP 15 assign (resid 14 and name C ) (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) (resid 16 and name N ) 55.1 39.3 ! THR 16 assign (resid 15 and name C ) (resid 16 and name N ) (resid 16 and name CA ) (resid 16 and name C ) (resid 17 and name N ) 61.5 70.92 ! LYS 17 assign (resid 16 and name C ) (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) (resid 18 and name N ) 53.45 32.8 ! PRO 18 assign (resid 17 and name C ) (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) (resid 19 and name N ) 61.95 32.2 ! ASP 19 assign (resid 18 and name C ) (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) (resid 20 and name N ) 52.3 43.76 ! HIS 20 assign (resid 19 and name C ) (resid 20 and name N ) (resid 20 and name CA ) (resid 20 and name C ) (resid 21 and name N ) 53.2 28.8 ! PRO 21 assign (resid 20 and name C ) (resid 21 and name N ) (resid 21 and name CA ) (resid 21 and name C ) (resid 22 and name N ) 63.74 32.03 ! TRP 22 assign (resid 21 and name C ) (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) (resid 23 and name N ) 57.05 29.32 ! GLU 23 assign (resid 22 and name C ) (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) (resid 24 and name N ) 59.1 29.11 ! LYS 24 assign (resid 23 and name C ) (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) (resid 25 and name N ) 56.89 32.3 ! PHE 25 assign (resid 24 and name C ) (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name C ) (resid 26 and name N ) 54.3 39.2 ! PRO 26 assign (resid 25 and name C ) (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) (resid 27 and name N ) 64.98 32.2 ! ASP 27 assign (resid 26 and name C ) (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) (resid 28 and name N ) 53.9 40.02 ! TYR 28 assign (resid 27 and name C ) (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) (resid 29 and name N ) 55.65 36.5 ! ALA 29 assign (resid 28 and name C ) (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) (resid 30 and name N ) 49.7 22.8 ! VAL 30 assign (resid 29 and name C ) (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) (resid 31 and name N ) 60.38 34.15 ! PHE 31 assign (resid 30 and name C ) (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name C ) (resid 32 and name N ) 56.7 38.5 ! ARG 32 assign (resid 31 and name C ) (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) (resid 33 and name N ) 53.47 34.33 ! HIS 33 assign (resid 32 and name C ) (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) (resid 34 and name N ) 56.43 29.02 ! SER 34 assign (resid 33 and name C ) (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) (resid 35 and name N ) 60.4 63.26 ! ASP 35 assign (resid 34 and name C ) (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name C ) (resid 36 and name N ) 54.43 39.82 ! ASN 36 assign (resid 35 and name C ) (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) (resid 37 and name N ) 52.09 39.08 ! ASP 37 assign (resid 36 and name C ) (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name C ) (resid 38 and name N ) 55.86 40.6 ! LYS 38 assign (resid 37 and name C ) (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) (resid 39 and name N ) 56.85 32.5 ! TRP 39 assign (resid 38 and name C ) (resid 39 and name N ) (resid 39 and name CA ) (resid 39 and name C ) (resid 40 and name N ) 55.63 30.3 ! TYR 40 assign (resid 39 and name C ) (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) (resid 41 and name N ) 55.7 40.23 ! ALA 41 assign (resid 40 and name C ) (resid 41 and name N ) (resid 41 and name CA ) (resid 41 and name C ) (resid 42 and name N ) 52.9 21.9 ! LEU 42 assign (resid 41 and name C ) (resid 42 and name N ) (resid 42 and name CA ) (resid 42 and name C ) (resid 43 and name N ) 54.1 45.9 ! LEU 43 assign (resid 42 and name C ) (resid 43 and name N ) (resid 43 and name CA ) (resid 43 and name C ) (resid 44 and name N ) 54 46 ! MET 44 assign (resid 43 and name C ) (resid 44 and name N ) (resid 44 and name CA ) (resid 44 and name C ) (resid 45 and name N ) 55 39.22 ! ASP 45 assign (resid 44 and name C ) (resid 45 and name N ) (resid 45 and name CA ) (resid 45 and name C ) (resid 46 and name N ) 51.9 40.8 ! ILE 46 assign (resid 45 and name C ) (resid 46 and name N ) (resid 46 and name CA ) (resid 46 and name C ) (resid 47 and name N ) 57.7 40 ! PRO 47 assign (resid 46 and name C ) (resid 47 and name N ) (resid 47 and name CA ) (resid 47 and name C ) (resid 48 and name N ) 63.09 32.03 ! ALA 48 assign (resid 47 and name C ) (resid 48 and name N ) (resid 48 and name CA ) (resid 48 and name C ) (resid 49 and name N ) 55.32 17.7 ! GLU 49 assign (resid 48 and name C ) (resid 49 and name N ) (resid 49 and name CA ) (resid 49 and name C ) (resid 50 and name N ) 58.28 28.2 ! LYS 50 assign (resid 49 and name C ) (resid 50 and name N ) (resid 50 and name CA ) (resid 50 and name C ) (resid 51 and name N ) 56.9 31.7 ! ILE 51 assign (resid 50 and name C ) (resid 51 and name N ) (resid 51 and name CA ) (resid 51 and name C ) (resid 52 and name N ) 60.16 37.4 ! GLY 52 assign (resid 51 and name C ) (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) (resid 53 and name N ) 46.15 $noexpectation ! ILE 53 assign (resid 52 and name C ) (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) (resid 54 and name N ) 60.5 38.7 ! ASN 54 assign (resid 53 and name C ) (resid 54 and name N ) (resid 54 and name CA ) (resid 54 and name C ) (resid 55 and name N ) 53.7 39.06 ! GLY 55 assign (resid 54 and name C ) (resid 55 and name N ) (resid 55 and name CA ) (resid 55 and name C ) (resid 56 and name N ) 44.8 $noexpectation ! ASP 56 assign (resid 55 and name C ) (resid 56 and name N ) (resid 56 and name CA ) (resid 56 and name C ) (resid 57 and name N ) 53.47 40.62 ! LYS 57 assign (resid 56 and name C ) (resid 57 and name N ) (resid 57 and name CA ) (resid 57 and name C ) (resid 58 and name N ) 55.6 33.65 ! ARG 58 assign (resid 57 and name C ) (resid 58 and name N ) (resid 58 and name CA ) (resid 58 and name C ) (resid 59 and name N ) 55.3 31.7 ! VAL 59 assign (resid 58 and name C ) (resid 59 and name N ) (resid 59 and name CA ) (resid 59 and name C ) (resid 60 and name N ) 58.7 34.7 ! ASP 60 assign (resid 59 and name C ) (resid 60 and name N ) (resid 60 and name CA ) (resid 60 and name C ) (resid 61 and name N ) 53.7 43.24 ! VAL 61 assign (resid 60 and name C ) (resid 61 and name N ) (resid 61 and name CA ) (resid 61 and name C ) (resid 62 and name N ) 57.6 35.42 ! ILE 62 assign (resid 61 and name C ) (resid 62 and name N ) (resid 62 and name CA ) (resid 62 and name C ) (resid 63 and name N ) 57.8 41.7 ! LEU 64 assign (resid 63 and name C ) (resid 64 and name N ) (resid 64 and name CA ) (resid 64 and name C ) (resid 65 and name N ) 53.5 47 ! LYS 65 assign (resid 64 and name C ) (resid 65 and name N ) (resid 65 and name CA ) (resid 65 and name C ) (resid 66 and name N ) 55.7 33.6 ! VAL 66 assign (resid 65 and name C ) (resid 66 and name N ) (resid 66 and name CA ) (resid 66 and name C ) (resid 67 and name N ) 58.2 36.4 ! GLN 67 assign (resid 66 and name C ) (resid 67 and name N ) (resid 67 and name CA ) (resid 67 and name C ) (resid 68 and name N ) 54.9 27.66 ! PRO 68 assign (resid 67 and name C ) (resid 68 and name N ) (resid 68 and name CA ) (resid 68 and name C ) (resid 69 and name N ) 65.15 31.77 ! GLU 69 assign (resid 68 and name C ) (resid 69 and name N ) (resid 69 and name CA ) (resid 69 and name C ) (resid 70 and name N ) 58.51 28.1 ! LEU 70 assign (resid 69 and name C ) (resid 70 and name N ) (resid 70 and name CA ) (resid 70 and name C ) (resid 71 and name N ) 54.5 42.73 ! VAL 71 assign (resid 70 and name C ) (resid 71 and name N ) (resid 71 and name CA ) (resid 71 and name C ) (resid 72 and name N ) 67.76 32 ! GLY 72 assign (resid 71 and name C ) (resid 72 and name N ) (resid 72 and name CA ) (resid 72 and name C ) (resid 73 and name N ) 47 $noexpectation ! SER 73 assign (resid 72 and name C ) (resid 73 and name N ) (resid 73 and name CA ) (resid 73 and name C ) (resid 74 and name N ) 60.65 62.7 ! LEU 74 assign (resid 73 and name C ) (resid 74 and name N ) (resid 74 and name CA ) (resid 74 and name C ) (resid 75 and name N ) 57.9 41.7 ! ARG 75 assign (resid 74 and name C ) (resid 75 and name N ) (resid 75 and name CA ) (resid 75 and name C ) (resid 76 and name N ) 57.8 29.5 ! LYS 76 assign (resid 75 and name C ) (resid 76 and name N ) (resid 76 and name CA ) (resid 76 and name C ) (resid 77 and name N ) 56.5 32.7 ! LYS 77 assign (resid 76 and name C ) (resid 77 and name N ) (resid 77 and name CA ) (resid 77 and name C ) (resid 78 and name N ) 54.4 31.91 ! PRO 78 assign (resid 77 and name C ) (resid 78 and name N ) (resid 78 and name CA ) (resid 78 and name C ) (resid 79 and name N ) 63.6 31.9 ! GLY 79 assign (resid 78 and name C ) (resid 79 and name N ) (resid 79 and name CA ) (resid 79 and name C ) (resid 80 and name N ) 45.5 $noexpectation ! ILE 80 assign (resid 79 and name C ) (resid 80 and name N ) (resid 80 and name CA ) (resid 80 and name C ) (resid 81 and name N ) 60.5 37 ! TYR 81 assign (resid 80 and name C ) (resid 81 and name N ) (resid 81 and name CA ) (resid 81 and name C ) (resid 82 and name N ) 56.68 39.8 ! PRO 82 assign (resid 81 and name C ) (resid 82 and name N ) (resid 82 and name CA ) (resid 82 and name C ) (resid 83 and name N ) 62.36 31.94 ! TYR 84 assign (resid 83 and name C ) (resid 84 and name N ) (resid 84 and name CA ) (resid 84 and name C ) (resid 85 and name N ) 57.5 39.5 ! ASN 87 assign (resid 86 and name C ) (resid 87 and name N ) (resid 87 and name CA ) (resid 87 and name C ) (resid 88 and name N ) 55.28 40.6 ! LYS 88 assign (resid 87 and name C ) (resid 88 and name N ) (resid 88 and name CA ) (resid 88 and name C ) (resid 89 and name N ) 58.03 33 ! GLU 89 assign (resid 88 and name C ) (resid 89 and name N ) (resid 89 and name CA ) (resid 89 and name C ) (resid 90 and name N ) 57.67 30.01 ! HIS 90 assign (resid 89 and name C ) (resid 90 and name N ) (resid 90 and name CA ) (resid 90 and name C ) (resid 91 and name N ) 55.5 32.28 ! TRP 91 assign (resid 90 and name C ) (resid 91 and name N ) (resid 91 and name CA ) (resid 91 and name C ) (resid 92 and name N ) 55.5 31.59 ! ILE 92 assign (resid 91 and name C ) (resid 92 and name N ) (resid 92 and name CA ) (resid 92 and name C ) (resid 93 and name N ) 59.62 42.64 ! THR 93 assign (resid 92 and name C ) (resid 93 and name N ) (resid 93 and name CA ) (resid 93 and name C ) (resid 94 and name N ) 61.67 70.03 ! VAL 94 assign (resid 93 and name C ) (resid 94 and name N ) (resid 94 and name CA ) (resid 94 and name C ) (resid 95 and name N ) 60.8 34.1 ! LEU 95 assign (resid 94 and name C ) (resid 95 and name N ) (resid 95 and name CA ) (resid 95 and name C ) (resid 96 and name N ) 55 44.3 ! LEU 96 assign (resid 95 and name C ) (resid 96 and name N ) (resid 96 and name CA ) (resid 96 and name C ) (resid 97 and name N ) 56.58 40.5 ! ASN 97 assign (resid 96 and name C ) (resid 97 and name N ) (resid 97 and name CA ) (resid 97 and name C ) (resid 98 and name N ) 53 37.79 ! GLY 98 assign (resid 97 and name C ) (resid 98 and name N ) (resid 98 and name CA ) (resid 98 and name C ) (resid 99 and name N ) 44.96 $noexpectation ! PRO 99 assign (resid 98 and name C ) (resid 99 and name N ) (resid 99 and name CA ) (resid 99 and name C ) (resid 100 and name N ) 63.85 32.31 ! LEU 100 assign (resid 99 and name C ) (resid 100 and name N ) (resid 100 and name CA ) (resid 100 and name C ) (resid 101 and name N ) 55.8 42.6 ! GLY 101 assign (resid 100 and name C ) (resid 101 and name N ) (resid 101 and name CA ) (resid 101 and name C ) (resid 102 and name N ) 44.35 $noexpectation ! ALA 102 assign (resid 101 and name C ) (resid 102 and name N ) (resid 102 and name CA ) (resid 102 and name C ) (resid 103 and name N ) 55.4 18.6 ! LYS 103 assign (resid 102 and name C ) (resid 103 and name N ) (resid 103 and name CA ) (resid 103 and name C ) (resid 104 and name N ) 60.07 31.9 ! GLU 104 assign (resid 103 and name C ) (resid 104 and name N ) (resid 104 and name CA ) (resid 104 and name C ) (resid 105 and name N ) 59.5 29.1 ! ILE 105 assign (resid 104 and name C ) (resid 105 and name N ) (resid 105 and name CA ) (resid 105 and name C ) (resid 106 and name N ) 66.7 37.65 ! HIS 106 assign (resid 105 and name C ) (resid 106 and name N ) (resid 106 and name CA ) (resid 106 and name C ) (resid 107 and name N ) 57.68 28.4 ! SER 107 assign (resid 106 and name C ) (resid 107 and name N ) (resid 107 and name CA ) (resid 107 and name C ) (resid 108 and name N ) 62.25 62.5 ! LEU 108 assign (resid 107 and name C ) (resid 108 and name N ) (resid 108 and name CA ) (resid 108 and name C ) (resid 109 and name N ) 57.9 42.5 ! ILE 109 assign (resid 108 and name C ) (resid 109 and name N ) (resid 109 and name CA ) (resid 109 and name C ) (resid 110 and name N ) 65.86 38.6 ! GLU 110 assign (resid 109 and name C ) (resid 110 and name N ) (resid 110 and name CA ) (resid 110 and name C ) (resid 111 and name N ) 58.8 28.2 ! ASP 111 assign (resid 110 and name C ) (resid 111 and name N ) (resid 111 and name CA ) (resid 111 and name C ) (resid 112 and name N ) 57.16 39.3 ! SER 112 assign (resid 111 and name C ) (resid 112 and name N ) (resid 112 and name CA ) (resid 112 and name C ) (resid 113 and name N ) 61.2 64.2 ! PHE 113 assign (resid 112 and name C ) (resid 113 and name N ) (resid 113 and name CA ) (resid 113 and name C ) (resid 114 and name N ) 62.9 39.18 ! GLN 114 assign (resid 113 and name C ) (resid 114 and name N ) (resid 114 and name CA ) (resid 114 and name C ) (resid 115 and name N ) 58.36 27.72 ! LEU 115 assign (resid 114 and name C ) (resid 115 and name N ) (resid 115 and name CA ) (resid 115 and name C ) (resid 116 and name N ) 57.24 43.2 ! THR 116 assign (resid 115 and name C ) (resid 116 and name N ) (resid 116 and name CA ) (resid 116 and name C ) (resid 117 and name N ) 60.7 70.8 ! ARG 117 assign (resid 116 and name C ) (resid 117 and name N ) (resid 117 and name CA ) (resid 117 and name C ) (resid 118 and name N ) 55.9 31.1 ! LEU 118 assign (resid 117 and name C ) (resid 118 and name N ) (resid 118 and name CA ) (resid 118 and name C ) (resid 119 and name N ) 55.13 42.34 ! GLU 119 assign (resid 118 and name C ) (resid 119 and name N ) (resid 119 and name CA ) (resid 119 and name C ) (resid 120 and name N ) 56.09 30.36 ! HIS 120 assign (resid 119 and name C ) (resid 120 and name N ) (resid 120 and name CA ) (resid 120 and name C ) (resid 121 and name N ) 55.3 29.3 ! HIS 121 assign (resid 120 and name C ) (resid 121 and name N ) (resid 121 and name CA ) (resid 121 and name C ) (resid 122 and name N ) 55.3 29.2 ! HIS 122 assign (resid 121 and name C ) (resid 122 and name N ) (resid 122 and name CA ) (resid 122 and name C ) (resid 123 and name N ) 55.3 29.2 ! HIS 123 assign (resid 122 and name C ) (resid 123 and name N ) (resid 123 and name CA ) (resid 123 and name C ) (resid 124 and name N ) 55.3 29.35 ! HIS 124 assign (resid 123 and name C ) (resid 124 and name N ) (resid 124 and name CA ) (resid 124 and name C ) (resid 125 and name N ) 55.3 29.35 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -9.633 8.484 3.460 2 H2 MET 1 2H MET 1 -8.003 8.504 2.982 3 H3 MET 1 3H MET 1 -8.527 7.418 4.179 4 HA MET 1 HA MET 1 -9.863 7.259 1.595 5 HB2 MET 1 1HB MET 1 -7.445 7.556 1.034 6 HB3 MET 1 2HB MET 1 -7.068 6.169 2.055 7 HG2 MET 1 1HG MET 1 -7.214 5.352 -0.198 8 HG3 MET 1 2HG MET 1 -8.675 4.815 0.622 9 HE1 MET 1 3HE MET 1 -8.121 5.149 -2.615 10 HE2 MET 1 1HE MET 1 -7.129 6.568 -2.253 11 HE3 MET 1 2HE MET 1 -8.552 6.721 -3.281 12 H ASN 2 H ASN 2 -11.033 5.378 1.593 13 HA ASN 2 HA ASN 2 -10.792 3.633 3.997 14 HB2 ASN 2 1HB ASN 2 -13.002 4.109 1.989 15 HB3 ASN 2 2HB ASN 2 -13.051 2.778 3.147 16 HD21 ASN 2 2HD2 ASN 2 -14.989 4.863 3.285 17 HD22 ASN 2 1HD2 ASN 2 -14.716 5.768 4.696 18 H ARG 3 H ARG 3 -10.911 1.325 3.739 19 HA ARG 3 HA ARG 3 -9.148 0.252 1.785 20 HB2 ARG 3 1HB ARG 3 -11.227 -1.008 3.583 21 HB3 ARG 3 2HB ARG 3 -10.150 -1.963 2.563 22 HG2 ARG 3 1HG ARG 3 -8.200 -1.022 3.666 23 HG3 ARG 3 2HG ARG 3 -9.214 0.066 4.609 24 HD2 ARG 3 1HD ARG 3 -8.560 -1.888 5.950 25 HD3 ARG 3 2HD ARG 3 -10.294 -1.873 5.686 26 HE ARG 3 HE ARG 3 -8.362 -3.635 4.218 27 HH11 ARG 3 1HH2 ARG 3 -11.574 -2.893 5.330 28 HH12 ARG 3 2HH2 ARG 3 -12.215 -4.421 4.845 29 HH21 ARG 3 1HH1 ARG 3 -9.223 -5.614 3.596 30 HH22 ARG 3 2HH1 ARG 3 -10.900 -5.949 3.868 31 H GLN 4 H GLN 4 -12.722 0.149 1.959 32 HA GLN 4 HA GLN 4 -13.268 -1.433 -0.261 33 HB2 GLN 4 1HB GLN 4 -15.034 -0.508 1.165 34 HB3 GLN 4 2HB GLN 4 -14.678 1.117 0.584 35 HG2 GLN 4 1HG GLN 4 -16.657 0.110 -0.548 36 HG3 GLN 4 2HG GLN 4 -15.367 0.506 -1.679 37 HE21 GLN 4 2HE2 GLN 4 -15.271 -2.305 0.504 38 HE22 GLN 4 1HE2 GLN 4 -15.359 -3.474 -0.725 39 H GLN 5 H GLN 5 -12.372 2.000 -0.236 40 HA GLN 5 HA GLN 5 -12.673 2.402 -3.065 41 HB2 GLN 5 1HB GLN 5 -10.977 3.809 -0.986 42 HB3 GLN 5 2HB GLN 5 -11.161 4.377 -2.645 43 HG2 GLN 5 1HG GLN 5 -13.604 4.534 -2.323 44 HG3 GLN 5 2HG GLN 5 -13.422 3.959 -0.665 45 HE21 GLN 5 2HE2 GLN 5 -13.825 5.787 0.616 46 HE22 GLN 5 1HE2 GLN 5 -13.064 7.290 0.410 47 H PHE 6 H PHE 6 -9.926 1.454 -1.022 48 HA PHE 6 HA PHE 6 -7.953 1.425 -3.091 49 HB2 PHE 6 1HB PHE 6 -7.524 1.319 -0.604 50 HB3 PHE 6 2HB PHE 6 -8.040 -0.366 -0.651 51 HD1 PHE 6 HD2 PHE 6 -5.738 1.968 -2.474 52 HD2 PHE 6 HD1 PHE 6 -6.394 -2.005 -0.982 53 HE1 PHE 6 HE2 PHE 6 -3.470 1.312 -3.225 54 HE2 PHE 6 HE1 PHE 6 -4.122 -2.660 -1.733 55 HZ PHE 6 HZ PHE 6 -2.661 -1.003 -2.856 56 H ILE 7 H ILE 7 -10.049 -1.162 -1.815 57 HA ILE 7 HA ILE 7 -9.023 -3.244 -3.481 58 HB ILE 7 HB ILE 7 -11.832 -2.955 -2.381 59 HG12 ILE 7 1HG1 ILE 7 -10.234 -2.656 -0.576 60 HG13 ILE 7 2HG1 ILE 7 -10.941 -4.256 -0.441 61 HG21 ILE 7 1HG2 ILE 7 -11.721 -5.456 -2.349 62 HG22 ILE 7 2HG2 ILE 7 -10.189 -5.357 -3.220 63 HG23 ILE 7 3HG2 ILE 7 -11.673 -4.770 -3.973 64 HD11 ILE 7 3HD1 ILE 7 -8.860 -5.001 -1.857 65 HD12 ILE 7 1HD1 ILE 7 -8.666 -4.690 -0.134 66 HD13 ILE 7 2HD1 ILE 7 -8.174 -3.475 -1.310 67 H ASP 8 H ASP 8 -11.810 -1.056 -3.919 68 HA ASP 8 HA ASP 8 -12.579 -2.144 -6.470 69 HB2 ASP 8 1HB ASP 8 -13.138 0.401 -4.963 70 HB3 ASP 8 2HB ASP 8 -13.636 0.277 -6.648 71 H TYR 9 H TYR 9 -10.441 0.499 -5.486 72 HA TYR 9 HA TYR 9 -9.914 1.566 -8.074 73 HB2 TYR 9 1HB TYR 9 -9.271 2.744 -6.034 74 HB3 TYR 9 2HB TYR 9 -8.155 1.447 -5.609 75 HD1 TYR 9 HD1 TYR 9 -8.802 4.229 -7.962 76 HD2 TYR 9 HD2 TYR 9 -6.025 1.197 -6.717 77 HE1 TYR 9 HE1 TYR 9 -7.023 5.299 -9.319 78 HE2 TYR 9 HE2 TYR 9 -4.247 2.267 -8.073 79 HH TYR 9 HH TYR 9 -3.817 4.698 -8.950 80 H ALA 10 H ALA 10 -8.201 -0.944 -6.208 81 HA ALA 10 HA ALA 10 -6.139 -1.442 -8.107 82 HB1 ALA 10 3HB ALA 10 -6.022 -3.700 -6.981 83 HB2 ALA 10 1HB ALA 10 -7.456 -3.243 -6.061 84 HB3 ALA 10 2HB ALA 10 -5.958 -2.330 -5.871 85 H GLN 11 H GLN 11 -9.306 -3.037 -7.672 86 HA GLN 11 HA GLN 11 -8.986 -4.846 -9.872 87 HB2 GLN 11 1HB GLN 11 -11.446 -3.772 -8.478 88 HB3 GLN 11 2HB GLN 11 -11.515 -4.996 -9.746 89 HG2 GLN 11 1HG GLN 11 -10.004 -6.442 -8.406 90 HG3 GLN 11 2HG GLN 11 -10.004 -5.227 -7.127 91 HE21 GLN 11 2HE2 GLN 11 -11.621 -7.995 -8.265 92 HE22 GLN 11 1HE2 GLN 11 -13.033 -7.854 -7.330 93 H LYS 12 H LYS 12 -9.779 -1.485 -9.691 94 HA LYS 12 HA LYS 12 -11.016 -1.406 -12.356 95 HB2 LYS 12 1HB LYS 12 -11.685 0.154 -10.524 96 HB3 LYS 12 2HB LYS 12 -10.074 0.870 -10.590 97 HG2 LYS 12 1HG LYS 12 -10.419 1.534 -12.913 98 HG3 LYS 12 2HG LYS 12 -11.991 0.735 -12.937 99 HD2 LYS 12 1HD LYS 12 -12.781 2.261 -11.150 100 HD3 LYS 12 2HD LYS 12 -11.216 3.077 -11.169 101 HE2 LYS 12 1HE LYS 12 -13.026 2.834 -13.589 102 HE3 LYS 12 2HE LYS 12 -12.976 4.246 -12.534 103 HZ1 LYS 12 3HZ LYS 12 -11.087 3.370 -14.536 104 HZ2 LYS 12 1HZ LYS 12 -10.376 3.862 -13.077 105 HZ3 LYS 12 2HZ LYS 12 -11.388 4.928 -13.930 106 H LYS 13 H LYS 13 -8.024 -0.083 -10.896 107 HA LYS 13 HA LYS 13 -6.922 0.459 -13.576 108 HB2 LYS 13 1HB LYS 13 -6.627 2.069 -11.712 109 HB3 LYS 13 2HB LYS 13 -5.672 0.863 -10.851 110 HG2 LYS 13 1HG LYS 13 -4.027 0.816 -12.660 111 HG3 LYS 13 2HG LYS 13 -5.001 1.942 -13.605 112 HD2 LYS 13 1HD LYS 13 -4.740 3.645 -11.826 113 HD3 LYS 13 2HD LYS 13 -3.737 2.520 -10.910 114 HE2 LYS 13 1HE LYS 13 -3.096 3.429 -13.728 115 HE3 LYS 13 2HE LYS 13 -2.423 4.179 -12.282 116 HZ1 LYS 13 3HZ LYS 13 -1.816 1.618 -13.494 117 HZ2 LYS 13 1HZ LYS 13 -1.936 1.601 -11.802 118 HZ3 LYS 13 2HZ LYS 13 -0.831 2.643 -12.564 119 H TYR 14 H TYR 14 -6.087 -1.652 -10.792 120 HA TYR 14 HA TYR 14 -3.922 -2.881 -12.409 121 HB2 TYR 14 1HB TYR 14 -4.816 -3.140 -9.532 122 HB3 TYR 14 2HB TYR 14 -3.635 -4.244 -10.235 123 HD1 TYR 14 HD2 TYR 14 -4.347 -0.631 -9.633 124 HD2 TYR 14 HD1 TYR 14 -1.360 -3.600 -10.470 125 HE1 TYR 14 HE2 TYR 14 -2.567 1.057 -9.273 126 HE2 TYR 14 HE1 TYR 14 0.420 -1.913 -10.110 127 HH TYR 14 HH TYR 14 -0.358 1.491 -9.576 128 H ASP 15 H ASP 15 -7.232 -3.358 -11.963 129 HA ASP 15 HA ASP 15 -8.629 -5.274 -12.127 130 HB2 ASP 15 1HB ASP 15 -7.994 -6.573 -14.270 131 HB3 ASP 15 2HB ASP 15 -8.374 -4.860 -14.431 132 H THR 16 H THR 16 -6.474 -5.629 -10.253 133 HA THR 16 HA THR 16 -5.706 -8.486 -10.649 134 HB THR 16 HB THR 16 -3.865 -6.931 -10.176 135 HG1 THR 16 HG1 THR 16 -3.383 -7.983 -7.982 136 HG21 THR 16 3HG2 THR 16 -3.763 -5.612 -8.199 137 HG22 THR 16 1HG2 THR 16 -5.156 -6.430 -7.493 138 HG23 THR 16 2HG2 THR 16 -5.374 -5.339 -8.859 139 H LYS 17 H LYS 17 -6.223 -10.029 -9.111 140 HA LYS 17 HA LYS 17 -8.460 -9.304 -7.297 141 HB2 LYS 17 1HB LYS 17 -7.447 -11.880 -8.499 142 HB3 LYS 17 2HB LYS 17 -8.548 -11.907 -7.122 143 HG2 LYS 17 1HG LYS 17 -10.255 -10.764 -8.339 144 HG3 LYS 17 2HG LYS 17 -9.138 -10.324 -9.631 145 HD2 LYS 17 1HD LYS 17 -8.915 -12.661 -10.291 146 HD3 LYS 17 2HD LYS 17 -9.926 -13.168 -8.938 147 HE2 LYS 17 1HE LYS 17 -11.795 -11.801 -9.881 148 HE3 LYS 17 2HE LYS 17 -10.783 -11.444 -11.280 149 HZ1 LYS 17 3HZ LYS 17 -11.159 -13.446 -12.139 150 HZ2 LYS 17 1HZ LYS 17 -12.423 -13.591 -11.018 151 HZ3 LYS 17 2HZ LYS 17 -10.894 -14.240 -10.661 152 HA PRO 18 HA PRO 18 -5.853 -9.636 -3.717 153 HB2 PRO 18 1HB PRO 18 -7.641 -10.506 -1.832 154 HB3 PRO 18 2HB PRO 18 -7.651 -8.855 -2.484 155 HG2 PRO 18 1HG PRO 18 -9.345 -11.196 -3.255 156 HG3 PRO 18 2HG PRO 18 -9.817 -9.506 -2.986 157 HD2 PRO 18 1HD PRO 18 -9.448 -10.506 -5.485 158 HD3 PRO 18 2HD PRO 18 -9.061 -8.818 -5.082 159 H ASP 19 H ASP 19 -4.658 -11.128 -2.498 160 HA ASP 19 HA ASP 19 -5.350 -14.020 -2.791 161 HB2 ASP 19 1HB ASP 19 -2.703 -12.691 -3.422 162 HB3 ASP 19 2HB ASP 19 -2.878 -14.429 -3.165 163 H HIS 20 H HIS 20 -4.537 -15.329 -1.091 164 HA HIS 20 HA HIS 20 -3.204 -13.917 1.172 165 HB2 HIS 20 1HB HIS 20 -4.811 -15.160 2.715 166 HB3 HIS 20 2HB HIS 20 -5.494 -13.803 1.823 167 HD1 HIS 20 HD1 HIS 20 -7.099 -14.363 -0.170 168 HD2 HIS 20 HD2 HIS 20 -5.844 -17.693 2.001 169 HE1 HIS 20 HE1 HIS 20 -8.625 -16.271 -0.838 170 HA PRO 21 HA PRO 21 -1.119 -17.939 0.088 171 HB2 PRO 21 1HB PRO 21 1.031 -16.493 1.598 172 HB3 PRO 21 2HB PRO 21 1.132 -17.364 0.054 173 HG2 PRO 21 1HG PRO 21 1.160 -14.697 0.154 174 HG3 PRO 21 2HG PRO 21 0.351 -15.567 -1.164 175 HD2 PRO 21 1HD PRO 21 -0.863 -14.156 1.187 176 HD3 PRO 21 2HD PRO 21 -1.485 -14.324 -0.470 177 H TRP 22 H TRP 22 -1.125 -16.077 3.099 178 HA TRP 22 HA TRP 22 -0.816 -18.546 4.711 179 HB2 TRP 22 1HB TRP 22 -1.086 -15.682 5.664 180 HB3 TRP 22 2HB TRP 22 -0.507 -17.067 6.589 181 HD1 TRP 22 HD1 TRP 22 1.593 -18.385 4.917 182 HE1 TRP 22 HE1 TRP 22 3.743 -17.189 4.147 183 HE3 TRP 22 HE3 TRP 22 0.086 -13.519 5.305 184 HZ2 TRP 22 HZ2 TRP 22 4.698 -14.523 3.748 185 HZ3 TRP 22 HZ3 TRP 22 1.635 -11.674 4.724 186 HH2 TRP 22 HH2 TRP 22 3.937 -12.169 3.946 187 H GLU 23 H GLU 23 -2.644 -19.626 5.198 188 HA GLU 23 HA GLU 23 -5.285 -18.496 4.924 189 HB2 GLU 23 1HB GLU 23 -6.051 -20.641 5.848 190 HB3 GLU 23 2HB GLU 23 -4.804 -20.910 4.631 191 HG2 GLU 23 1HG GLU 23 -3.106 -21.070 6.449 192 HG3 GLU 23 2HG GLU 23 -4.398 -20.907 7.639 193 H LYS 24 H LYS 24 -3.048 -18.907 7.588 194 HA LYS 24 HA LYS 24 -4.882 -18.441 9.735 195 HB2 LYS 24 1HB LYS 24 -1.906 -17.940 9.476 196 HB3 LYS 24 2HB LYS 24 -2.797 -17.773 10.989 197 HG2 LYS 24 1HG LYS 24 -3.472 -20.117 10.897 198 HG3 LYS 24 2HG LYS 24 -2.704 -20.302 9.320 199 HD2 LYS 24 1HD LYS 24 -1.212 -21.183 11.033 200 HD3 LYS 24 2HD LYS 24 -0.511 -19.715 10.354 201 HE2 LYS 24 1HE LYS 24 -2.258 -19.481 12.791 202 HE3 LYS 24 2HE LYS 24 -0.602 -20.054 12.978 203 HZ1 LYS 24 3HZ LYS 24 -1.315 -17.469 12.883 204 HZ2 LYS 24 1HZ LYS 24 -0.882 -17.748 11.267 205 HZ3 LYS 24 2HZ LYS 24 0.236 -18.054 12.509 206 H PHE 25 H PHE 25 -4.138 -16.453 7.213 207 HA PHE 25 HA PHE 25 -4.868 -14.014 8.777 208 HB2 PHE 25 1HB PHE 25 -2.613 -14.301 6.785 209 HB3 PHE 25 2HB PHE 25 -3.280 -12.741 7.268 210 HD1 PHE 25 HD2 PHE 25 -3.279 -12.107 9.727 211 HD2 PHE 25 HD1 PHE 25 -1.087 -15.466 8.193 212 HE1 PHE 25 HE2 PHE 25 -1.894 -12.144 11.784 213 HE2 PHE 25 HE1 PHE 25 0.297 -15.504 10.250 214 HZ PHE 25 HZ PHE 25 -0.106 -13.842 12.045 215 HA PRO 26 HA PRO 26 -7.424 -14.702 4.912 216 HB2 PRO 26 1HB PRO 26 -9.882 -14.436 6.134 217 HB3 PRO 26 2HB PRO 26 -9.028 -15.982 5.975 218 HG2 PRO 26 1HG PRO 26 -9.258 -14.180 8.333 219 HG3 PRO 26 2HG PRO 26 -9.217 -15.951 8.265 220 HD2 PRO 26 1HD PRO 26 -7.057 -14.395 8.978 221 HD3 PRO 26 2HD PRO 26 -6.903 -16.023 8.290 222 H ASP 27 H ASP 27 -7.288 -12.295 7.402 223 HA ASP 27 HA ASP 27 -8.884 -10.316 5.945 224 HB2 ASP 27 1HB ASP 27 -7.127 -10.179 8.408 225 HB3 ASP 27 2HB ASP 27 -7.976 -8.778 7.755 226 H TYR 28 H TYR 28 -5.795 -11.558 5.613 227 HA TYR 28 HA TYR 28 -4.518 -9.028 4.790 228 HB2 TYR 28 1HB TYR 28 -3.615 -11.877 5.124 229 HB3 TYR 28 2HB TYR 28 -2.658 -10.793 4.118 230 HD1 TYR 28 HD2 TYR 28 -4.612 -9.964 7.213 231 HD2 TYR 28 HD1 TYR 28 -0.732 -10.383 5.416 232 HE1 TYR 28 HE2 TYR 28 -3.579 -8.966 9.220 233 HE2 TYR 28 HE1 TYR 28 0.302 -9.380 7.433 234 HH TYR 28 HH TYR 28 -0.217 -8.067 9.299 235 H ALA 29 H ALA 29 -4.128 -8.432 2.686 236 HA ALA 29 HA ALA 29 -5.138 -10.259 0.524 237 HB1 ALA 29 3HB ALA 29 -5.927 -8.217 -0.649 238 HB2 ALA 29 1HB ALA 29 -5.461 -7.252 0.751 239 HB3 ALA 29 2HB ALA 29 -6.750 -8.446 0.894 240 H VAL 30 H VAL 30 -3.705 -10.545 -1.123 241 HA VAL 30 HA VAL 30 -1.345 -8.694 -1.282 242 HB VAL 30 HB VAL 30 -1.470 -11.705 -1.593 243 HG11 VAL 30 1HG1 VAL 30 -0.039 -10.997 -3.357 244 HG12 VAL 30 2HG1 VAL 30 1.051 -11.389 -2.028 245 HG13 VAL 30 3HG1 VAL 30 0.659 -9.706 -2.379 246 HG21 VAL 30 3HG2 VAL 30 -1.254 -10.630 0.706 247 HG22 VAL 30 1HG2 VAL 30 0.294 -9.983 0.164 248 HG23 VAL 30 2HG2 VAL 30 0.054 -11.727 0.261 249 H PHE 31 H PHE 31 -1.059 -7.787 -3.235 250 HA PHE 31 HA PHE 31 -2.567 -8.903 -5.578 251 HB2 PHE 31 1HB PHE 31 -1.635 -6.062 -5.063 252 HB3 PHE 31 2HB PHE 31 -2.544 -6.615 -6.468 253 HD1 PHE 31 HD2 PHE 31 -4.754 -8.021 -5.836 254 HD2 PHE 31 HD1 PHE 31 -2.860 -5.103 -3.313 255 HE1 PHE 31 HE2 PHE 31 -6.881 -7.701 -4.603 256 HE2 PHE 31 HE1 PHE 31 -4.990 -4.792 -2.081 257 HZ PHE 31 HZ PHE 31 -6.995 -6.088 -2.726 258 H ARG 32 H ARG 32 -1.354 -9.484 -7.355 259 HA ARG 32 HA ARG 32 1.285 -8.319 -7.812 260 HB2 ARG 32 1HB ARG 32 2.477 -10.512 -7.788 261 HB3 ARG 32 2HB ARG 32 1.934 -10.004 -6.189 262 HG2 ARG 32 1HG ARG 32 -0.073 -11.457 -6.433 263 HG3 ARG 32 2HG ARG 32 0.537 -12.004 -7.996 264 HD2 ARG 32 1HD ARG 32 2.579 -12.861 -6.892 265 HD3 ARG 32 2HD ARG 32 1.956 -12.332 -5.332 266 HE ARG 32 HE ARG 32 0.129 -14.121 -6.730 267 HH11 ARG 32 1HH2 ARG 32 2.908 -13.848 -4.694 268 HH12 ARG 32 2HH2 ARG 32 2.699 -15.413 -3.981 269 HH21 ARG 32 1HH1 ARG 32 -0.148 -16.163 -5.806 270 HH22 ARG 32 2HH1 ARG 32 0.973 -16.721 -4.609 271 H HIS 33 H HIS 33 2.058 -8.736 -9.920 272 HA HIS 33 HA HIS 33 -0.016 -9.804 -11.773 273 HB2 HIS 33 1HB HIS 33 2.367 -7.978 -12.111 274 HB3 HIS 33 2HB HIS 33 1.525 -8.673 -13.497 275 HD1 HIS 33 HD1 HIS 33 -1.059 -8.043 -13.738 276 HD2 HIS 33 HD2 HIS 33 1.034 -5.829 -10.892 277 HE1 HIS 33 HE1 HIS 33 -2.510 -6.047 -13.174 278 H SER 34 H SER 34 0.261 -11.855 -12.433 279 HA SER 34 HA SER 34 2.789 -13.260 -12.105 280 HB2 SER 34 1HB SER 34 0.115 -13.973 -13.313 281 HB3 SER 34 2HB SER 34 1.484 -15.079 -13.373 282 HG SER 34 HG SER 34 -0.100 -14.284 -11.246 283 H ASP 35 H ASP 35 1.396 -11.295 -14.526 284 HA ASP 35 HA ASP 35 2.964 -12.507 -16.729 285 HB2 ASP 35 1HB ASP 35 1.017 -10.191 -16.606 286 HB3 ASP 35 2HB ASP 35 1.878 -10.663 -18.071 287 H ASN 36 H ASN 36 3.510 -10.294 -14.263 288 HA ASN 36 HA ASN 36 5.546 -8.782 -15.878 289 HB2 ASN 36 1HB ASN 36 3.636 -7.507 -14.724 290 HB3 ASN 36 2HB ASN 36 4.412 -7.945 -13.205 291 HD21 ASN 36 2HD2 ASN 36 4.179 -5.213 -14.180 292 HD22 ASN 36 1HD2 ASN 36 5.754 -4.639 -14.449 293 H ASP 37 H ASP 37 4.923 -10.669 -12.990 294 HA ASP 37 HA ASP 37 6.351 -11.676 -11.452 295 HB2 ASP 37 1HB ASP 37 7.283 -12.712 -13.481 296 HB3 ASP 37 2HB ASP 37 8.367 -11.340 -13.693 297 H LYS 38 H LYS 38 7.445 -10.986 -9.716 298 HA LYS 38 HA LYS 38 8.918 -9.740 -8.385 299 HB2 LYS 38 1HB LYS 38 10.157 -9.457 -10.748 300 HB3 LYS 38 2HB LYS 38 9.583 -7.801 -10.579 301 HG2 LYS 38 1HG LYS 38 11.221 -9.308 -8.514 302 HG3 LYS 38 2HG LYS 38 11.846 -8.077 -9.609 303 HD2 LYS 38 1HD LYS 38 10.163 -6.469 -8.627 304 HD3 LYS 38 2HD LYS 38 9.781 -7.704 -7.426 305 HE2 LYS 38 1HE LYS 38 12.074 -7.715 -6.629 306 HE3 LYS 38 2HE LYS 38 12.551 -6.579 -7.892 307 HZ1 LYS 38 3HZ LYS 38 11.161 -6.098 -5.405 308 HZ2 LYS 38 1HZ LYS 38 10.493 -5.300 -6.745 309 HZ3 LYS 38 2HZ LYS 38 12.123 -5.051 -6.334 310 H TRP 39 H TRP 39 7.438 -8.811 -7.052 311 HA TRP 39 HA TRP 39 6.806 -6.029 -7.388 312 HB2 TRP 39 1HB TRP 39 4.145 -6.973 -7.251 313 HB3 TRP 39 2HB TRP 39 4.904 -6.196 -8.636 314 HD1 TRP 39 HD1 TRP 39 4.620 -7.532 -10.727 315 HE1 TRP 39 HE1 TRP 39 4.537 -10.021 -11.366 316 HE3 TRP 39 HE3 TRP 39 5.154 -9.642 -6.111 317 HZ2 TRP 39 HZ2 TRP 39 4.673 -12.572 -10.091 318 HZ3 TRP 39 HZ3 TRP 39 5.176 -12.104 -5.854 319 HH2 TRP 39 HH2 TRP 39 4.935 -13.571 -7.838 320 H TYR 40 H TYR 40 5.067 -5.402 -5.650 321 HA TYR 40 HA TYR 40 4.841 -7.258 -3.409 322 HB2 TYR 40 1HB TYR 40 6.640 -4.825 -3.253 323 HB3 TYR 40 2HB TYR 40 5.993 -5.637 -1.825 324 HD1 TYR 40 HD2 TYR 40 6.540 -8.039 -1.399 325 HD2 TYR 40 HD1 TYR 40 8.440 -5.780 -4.518 326 HE1 TYR 40 HE2 TYR 40 8.325 -9.751 -1.550 327 HE2 TYR 40 HE1 TYR 40 10.227 -7.494 -4.671 328 HH TYR 40 HH TYR 40 10.950 -9.593 -2.432 329 H ALA 41 H ALA 41 2.808 -6.891 -2.756 330 HA ALA 41 HA ALA 41 1.900 -4.183 -2.145 331 HB1 ALA 41 3HB ALA 41 -0.215 -4.549 -3.573 332 HB2 ALA 41 1HB ALA 41 0.724 -5.768 -4.434 333 HB3 ALA 41 2HB ALA 41 1.255 -4.088 -4.430 334 H LEU 42 H LEU 42 1.310 -4.728 -0.066 335 HA LEU 42 HA LEU 42 -0.718 -6.909 0.227 336 HB2 LEU 42 1HB LEU 42 0.391 -7.374 2.484 337 HB3 LEU 42 2HB LEU 42 1.246 -7.956 1.060 338 HG LEU 42 HG LEU 42 1.908 -5.185 2.018 339 HD11 LEU 42 1HD1 LEU 42 3.490 -6.030 3.677 340 HD12 LEU 42 2HD1 LEU 42 2.969 -7.685 3.363 341 HD13 LEU 42 3HD1 LEU 42 1.854 -6.535 4.098 342 HD21 LEU 42 3HD2 LEU 42 2.903 -6.486 -0.019 343 HD22 LEU 42 1HD2 LEU 42 3.806 -7.390 1.192 344 HD23 LEU 42 2HD2 LEU 42 4.016 -5.645 1.053 345 H LEU 43 H LEU 43 -2.380 -6.407 1.548 346 HA LEU 43 HA LEU 43 -2.282 -3.751 2.937 347 HB2 LEU 43 1HB LEU 43 -3.851 -3.937 0.972 348 HB3 LEU 43 2HB LEU 43 -4.723 -5.187 1.845 349 HG LEU 43 HG LEU 43 -4.201 -2.492 3.124 350 HD11 LEU 43 1HD1 LEU 43 -6.475 -1.814 2.301 351 HD12 LEU 43 2HD1 LEU 43 -6.441 -3.205 1.218 352 HD13 LEU 43 3HD1 LEU 43 -5.247 -1.919 1.042 353 HD21 LEU 43 3HD2 LEU 43 -5.110 -3.879 4.761 354 HD22 LEU 43 1HD2 LEU 43 -6.058 -4.816 3.610 355 HD23 LEU 43 2HD2 LEU 43 -6.583 -3.205 4.077 356 H MET 44 H MET 44 -2.403 -3.909 5.106 357 HA MET 44 HA MET 44 -4.031 -6.045 6.336 358 HB2 MET 44 1HB MET 44 -1.979 -6.566 7.869 359 HB3 MET 44 2HB MET 44 -2.046 -7.305 6.270 360 HG2 MET 44 1HG MET 44 -0.594 -5.542 5.369 361 HG3 MET 44 2HG MET 44 -0.556 -4.753 6.946 362 HE1 MET 44 3HE MET 44 1.757 -4.923 5.787 363 HE2 MET 44 1HE MET 44 2.931 -6.194 6.157 364 HE3 MET 44 2HE MET 44 2.386 -5.099 7.424 365 H ASP 45 H ASP 45 -4.413 -5.660 8.596 366 HA ASP 45 HA ASP 45 -4.209 -2.789 9.310 367 HB2 ASP 45 1HB ASP 45 -5.807 -5.109 10.416 368 HB3 ASP 45 2HB ASP 45 -5.770 -3.519 11.185 369 H ILE 46 H ILE 46 -2.431 -2.238 10.455 370 HA ILE 46 HA ILE 46 -1.346 -4.209 12.419 371 HB ILE 46 HB ILE 46 0.830 -2.999 12.116 372 HG12 ILE 46 1HG1 ILE 46 -0.499 -1.862 9.641 373 HG13 ILE 46 2HG1 ILE 46 -0.309 -0.933 11.126 374 HG21 ILE 46 1HG2 ILE 46 -0.434 -4.288 9.681 375 HG22 ILE 46 2HG2 ILE 46 0.366 -5.132 11.006 376 HG23 ILE 46 3HG2 ILE 46 1.299 -4.086 9.935 377 HD11 ILE 46 3HD1 ILE 46 1.580 -0.402 9.744 378 HD12 ILE 46 1HD1 ILE 46 1.882 -2.104 9.399 379 HD13 ILE 46 2HD1 ILE 46 2.174 -1.465 11.016 380 HA PRO 47 HA PRO 47 -2.312 -1.439 15.775 381 HB2 PRO 47 1HB PRO 47 0.525 -1.797 16.663 382 HB3 PRO 47 2HB PRO 47 -0.978 -2.058 17.566 383 HG2 PRO 47 1HG PRO 47 0.557 -4.072 16.544 384 HG3 PRO 47 2HG PRO 47 -1.182 -4.207 16.844 385 HD2 PRO 47 1HD PRO 47 0.233 -4.085 14.262 386 HD3 PRO 47 2HD PRO 47 -1.441 -4.568 14.614 387 H ALA 48 H ALA 48 -2.103 0.766 16.175 388 HA ALA 48 HA ALA 48 -0.692 2.412 14.308 389 HB1 ALA 48 3HB ALA 48 -2.563 3.448 15.256 390 HB2 ALA 48 1HB ALA 48 -1.246 4.212 16.147 391 HB3 ALA 48 2HB ALA 48 -2.165 2.898 16.883 392 H GLU 49 H GLU 49 0.249 0.927 17.290 393 HA GLU 49 HA GLU 49 2.458 2.740 17.852 394 HB2 GLU 49 1HB GLU 49 3.144 0.917 19.466 395 HB3 GLU 49 2HB GLU 49 1.512 1.538 19.715 396 HG2 GLU 49 1HG GLU 49 0.568 -0.357 18.499 397 HG3 GLU 49 2HG GLU 49 2.184 -0.960 18.137 398 H LYS 50 H LYS 50 1.961 0.177 15.656 399 HA LYS 50 HA LYS 50 4.779 -0.638 15.529 400 HB2 LYS 50 1HB LYS 50 2.341 -1.318 13.874 401 HB3 LYS 50 2HB LYS 50 3.946 -1.953 13.517 402 HG2 LYS 50 1HG LYS 50 2.803 -2.242 16.294 403 HG3 LYS 50 2HG LYS 50 2.308 -3.354 15.025 404 HD2 LYS 50 1HD LYS 50 4.675 -3.930 14.604 405 HD3 LYS 50 2HD LYS 50 5.170 -2.841 15.895 406 HE2 LYS 50 1HE LYS 50 5.092 -5.080 16.799 407 HE3 LYS 50 2HE LYS 50 3.743 -4.168 17.478 408 HZ1 LYS 50 3HZ LYS 50 3.337 -5.675 14.993 409 HZ2 LYS 50 1HZ LYS 50 2.224 -5.290 16.214 410 HZ3 LYS 50 2HZ LYS 50 3.368 -6.520 16.467 411 H ILE 51 H ILE 51 2.942 1.916 14.283 412 HA ILE 51 HA ILE 51 4.804 2.273 11.966 413 HB ILE 51 HB ILE 51 3.109 4.042 11.282 414 HG12 ILE 51 1HG1 ILE 51 1.429 2.640 13.384 415 HG13 ILE 51 2HG1 ILE 51 2.095 4.261 13.570 416 HG21 ILE 51 1HG2 ILE 51 2.139 1.180 11.574 417 HG22 ILE 51 2HG2 ILE 51 3.212 1.765 10.303 418 HG23 ILE 51 3HG2 ILE 51 1.551 2.352 10.395 419 HD11 ILE 51 3HD1 ILE 51 0.793 5.102 11.736 420 HD12 ILE 51 1HD1 ILE 51 -0.311 4.167 12.742 421 HD13 ILE 51 2HD1 ILE 51 0.310 3.481 11.246 422 H GLY 52 H GLY 52 4.613 3.063 15.134 423 HA2 GLY 52 1HA GLY 52 6.247 4.512 16.167 424 HA3 GLY 52 2HA GLY 52 6.262 5.505 14.714 425 H ILE 53 H ILE 53 3.075 5.048 15.102 426 HA ILE 53 HA ILE 53 2.756 7.661 16.373 427 HB ILE 53 HB ILE 53 0.729 5.684 15.297 428 HG12 ILE 53 1HG1 ILE 53 1.728 8.369 14.284 429 HG13 ILE 53 2HG1 ILE 53 2.241 6.805 13.657 430 HG21 ILE 53 1HG2 ILE 53 0.377 8.468 16.454 431 HG22 ILE 53 2HG2 ILE 53 -0.356 6.976 17.041 432 HG23 ILE 53 3HG2 ILE 53 -0.852 7.648 15.495 433 HD11 ILE 53 3HD1 ILE 53 -0.335 6.405 13.317 434 HD12 ILE 53 1HD1 ILE 53 0.548 7.393 12.156 435 HD13 ILE 53 2HD1 ILE 53 -0.430 8.160 13.405 436 H ASN 54 H ASN 54 1.988 8.093 18.387 437 HA ASN 54 HA ASN 54 2.351 6.216 20.491 438 HB2 ASN 54 1HB ASN 54 0.880 8.856 20.345 439 HB3 ASN 54 2HB ASN 54 1.112 7.972 21.853 440 HD21 ASN 54 2HD2 ASN 54 2.272 10.559 21.489 441 HD22 ASN 54 1HD2 ASN 54 3.960 10.390 21.409 442 H GLY 55 H GLY 55 -0.599 7.261 18.802 443 HA2 GLY 55 1HA GLY 55 -2.564 6.212 20.463 444 HA3 GLY 55 2HA GLY 55 -2.707 6.233 18.709 445 H ASP 56 H ASP 56 -3.525 4.202 20.764 446 HA ASP 56 HA ASP 56 -1.904 1.845 19.910 447 HB2 ASP 56 1HB ASP 56 -2.384 2.267 22.362 448 HB3 ASP 56 2HB ASP 56 -4.088 1.987 22.009 449 H LYS 57 H LYS 57 -4.341 3.520 18.651 450 HA LYS 57 HA LYS 57 -6.358 1.461 18.276 451 HB2 LYS 57 1HB LYS 57 -7.366 3.047 16.683 452 HB3 LYS 57 2HB LYS 57 -6.947 3.853 18.194 453 HG2 LYS 57 1HG LYS 57 -4.835 4.652 17.160 454 HG3 LYS 57 2HG LYS 57 -5.309 3.893 15.639 455 HD2 LYS 57 1HD LYS 57 -7.339 5.300 15.566 456 HD3 LYS 57 2HD LYS 57 -6.859 6.066 17.081 457 HE2 LYS 57 1HE LYS 57 -4.794 6.891 16.021 458 HE3 LYS 57 2HE LYS 57 -5.256 6.116 14.506 459 HZ1 LYS 57 3HZ LYS 57 -7.305 7.483 14.555 460 HZ2 LYS 57 1HZ LYS 57 -5.884 8.397 14.405 461 HZ3 LYS 57 2HZ LYS 57 -6.684 8.313 15.901 462 H ARG 58 H ARG 58 -6.742 0.224 16.425 463 HA ARG 58 HA ARG 58 -4.379 -0.481 14.878 464 HB2 ARG 58 1HB ARG 58 -7.259 -1.406 14.820 465 HB3 ARG 58 2HB ARG 58 -6.018 -2.062 13.750 466 HG2 ARG 58 1HG ARG 58 -4.675 -2.734 15.703 467 HG3 ARG 58 2HG ARG 58 -5.894 -2.057 16.782 468 HD2 ARG 58 1HD ARG 58 -7.564 -3.645 15.907 469 HD3 ARG 58 2HD ARG 58 -6.356 -4.318 14.813 470 HE ARG 58 HE ARG 58 -5.288 -4.476 17.427 471 HH11 ARG 58 1HH2 ARG 58 -7.928 -5.693 15.563 472 HH12 ARG 58 2HH2 ARG 58 -8.031 -7.181 16.443 473 HH21 ARG 58 1HH1 ARG 58 -5.414 -6.413 18.579 474 HH22 ARG 58 2HH1 ARG 58 -6.611 -7.589 18.148 475 H VAL 59 H VAL 59 -4.021 -0.089 12.671 476 HA VAL 59 HA VAL 59 -6.008 1.647 11.255 477 HB VAL 59 HB VAL 59 -4.125 2.994 10.385 478 HG11 VAL 59 1HG1 VAL 59 -4.287 2.877 13.411 479 HG12 VAL 59 2HG1 VAL 59 -5.431 3.716 12.362 480 HG13 VAL 59 3HG1 VAL 59 -3.757 4.263 12.458 481 HG21 VAL 59 3HG2 VAL 59 -2.564 1.194 12.252 482 HG22 VAL 59 1HG2 VAL 59 -1.963 2.789 11.807 483 HG23 VAL 59 2HG2 VAL 59 -2.232 1.570 10.562 484 H ASP 60 H ASP 60 -5.675 1.695 8.915 485 HA ASP 60 HA ASP 60 -4.728 -0.954 7.931 486 HB2 ASP 60 1HB ASP 60 -7.090 -0.079 7.490 487 HB3 ASP 60 2HB ASP 60 -6.342 1.100 6.412 488 H VAL 61 H VAL 61 -2.894 -1.071 6.737 489 HA VAL 61 HA VAL 61 -1.904 1.404 5.370 490 HB VAL 61 HB VAL 61 0.337 0.985 6.091 491 HG11 VAL 61 1HG1 VAL 61 -1.348 1.964 7.766 492 HG12 VAL 61 2HG1 VAL 61 0.157 1.335 8.435 493 HG13 VAL 61 3HG1 VAL 61 -1.323 0.382 8.545 494 HG21 VAL 61 3HG2 VAL 61 0.520 -1.394 5.934 495 HG22 VAL 61 1HG2 VAL 61 -0.786 -1.643 7.092 496 HG23 VAL 61 2HG2 VAL 61 0.770 -1.020 7.639 497 H ILE 62 H ILE 62 -0.520 0.979 3.550 498 HA ILE 62 HA ILE 62 -0.723 -1.795 2.437 499 HB ILE 62 HB ILE 62 -1.086 -0.666 0.183 500 HG12 ILE 62 1HG1 ILE 62 -1.930 1.660 1.936 501 HG13 ILE 62 2HG1 ILE 62 -0.415 1.616 1.033 502 HG21 ILE 62 1HG2 ILE 62 -3.533 -0.337 0.630 503 HG22 ILE 62 2HG2 ILE 62 -3.188 -0.464 2.356 504 HG23 ILE 62 3HG2 ILE 62 -2.890 -1.838 1.293 505 HD11 ILE 62 3HD1 ILE 62 -1.637 1.385 -1.072 506 HD12 ILE 62 1HD1 ILE 62 -2.219 2.808 -0.207 507 HD13 ILE 62 2HD1 ILE 62 -3.170 1.322 -0.201 508 H ASP 63 H ASP 63 0.978 -2.377 1.043 509 HA ASP 63 HA ASP 63 3.487 -0.978 1.577 510 HB2 ASP 63 1HB ASP 63 3.390 -3.436 1.502 511 HB3 ASP 63 2HB ASP 63 2.899 -3.366 -0.190 512 H LEU 64 H LEU 64 4.559 0.389 0.204 513 HA LEU 64 HA LEU 64 3.460 0.716 -2.568 514 HB2 LEU 64 1HB LEU 64 2.975 2.546 -0.728 515 HB3 LEU 64 2HB LEU 64 4.648 3.008 -1.012 516 HG LEU 64 HG LEU 64 3.189 4.345 -2.430 517 HD11 LEU 64 1HD1 LEU 64 4.395 2.334 -4.311 518 HD12 LEU 64 2HD1 LEU 64 5.424 3.314 -3.271 519 HD13 LEU 64 3HD1 LEU 64 4.360 4.092 -4.432 520 HD21 LEU 64 3HD2 LEU 64 1.482 2.233 -2.504 521 HD22 LEU 64 1HD2 LEU 64 2.267 2.019 -4.070 522 HD23 LEU 64 2HD2 LEU 64 1.446 3.530 -3.692 523 H LYS 65 H LYS 65 4.977 0.328 -4.079 524 HA LYS 65 HA LYS 65 7.811 0.147 -3.273 525 HB2 LYS 65 1HB LYS 65 6.697 -1.591 -4.697 526 HB3 LYS 65 2HB LYS 65 6.547 -0.381 -5.972 527 HG2 LYS 65 1HG LYS 65 9.061 -0.054 -5.815 528 HG3 LYS 65 2HG LYS 65 9.103 -1.461 -4.757 529 HD2 LYS 65 1HD LYS 65 7.931 -1.466 -7.551 530 HD3 LYS 65 2HD LYS 65 9.566 -1.998 -7.163 531 HE2 LYS 65 1HE LYS 65 8.443 -3.585 -5.459 532 HE3 LYS 65 2HE LYS 65 6.945 -3.235 -6.324 533 HZ1 LYS 65 3HZ LYS 65 9.290 -3.960 -7.905 534 HZ2 LYS 65 1HZ LYS 65 7.650 -4.294 -8.180 535 HZ3 LYS 65 2HZ LYS 65 8.518 -5.197 -7.032 536 H VAL 66 H VAL 66 9.283 1.727 -3.702 537 HA VAL 66 HA VAL 66 8.714 3.681 -5.885 538 HB VAL 66 HB VAL 66 9.562 5.513 -4.369 539 HG11 VAL 66 1HG1 VAL 66 6.948 4.419 -4.602 540 HG12 VAL 66 2HG1 VAL 66 7.371 6.042 -4.092 541 HG13 VAL 66 3HG1 VAL 66 7.161 4.772 -2.890 542 HG21 VAL 66 3HG2 VAL 66 10.625 3.985 -2.713 543 HG22 VAL 66 1HG2 VAL 66 9.023 3.446 -2.206 544 HG23 VAL 66 2HG2 VAL 66 9.513 5.121 -1.949 545 H GLN 67 H GLN 67 10.632 4.974 -6.439 546 HA GLN 67 HA GLN 67 12.943 3.262 -6.729 547 HB2 GLN 67 1HB GLN 67 12.165 6.043 -7.558 548 HB3 GLN 67 2HB GLN 67 13.868 5.608 -7.638 549 HG2 GLN 67 1HG GLN 67 13.274 3.629 -9.023 550 HG3 GLN 67 2HG GLN 67 11.584 4.132 -8.980 551 HE21 GLN 67 2HE2 GLN 67 10.956 5.391 -10.727 552 HE22 GLN 67 1HE2 GLN 67 11.997 6.345 -11.669 553 HA PRO 68 HA PRO 68 15.246 4.362 -3.113 554 HB2 PRO 68 1HB PRO 68 17.816 4.591 -4.140 555 HB3 PRO 68 2HB PRO 68 17.005 3.045 -3.822 556 HG2 PRO 68 1HG PRO 68 17.277 4.537 -6.399 557 HG3 PRO 68 2HG PRO 68 17.451 2.800 -6.081 558 HD2 PRO 68 1HD PRO 68 15.198 3.790 -7.168 559 HD3 PRO 68 2HD PRO 68 15.140 2.446 -6.008 560 H GLU 69 H GLU 69 15.465 6.478 -5.905 561 HA GLU 69 HA GLU 69 16.661 8.666 -4.310 562 HB2 GLU 69 1HB GLU 69 16.242 9.882 -6.624 563 HB3 GLU 69 2HB GLU 69 17.559 8.721 -6.457 564 HG2 GLU 69 1HG GLU 69 16.268 6.974 -7.473 565 HG3 GLU 69 2HG GLU 69 14.798 7.944 -7.411 566 H LEU 70 H LEU 70 13.519 7.610 -5.411 567 HA LEU 70 HA LEU 70 12.312 10.258 -4.827 568 HB2 LEU 70 1HB LEU 70 11.034 7.668 -5.762 569 HB3 LEU 70 2HB LEU 70 10.215 9.223 -5.621 570 HG LEU 70 HG LEU 70 12.593 8.644 -7.413 571 HD11 LEU 70 1HD1 LEU 70 11.080 8.682 -9.253 572 HD12 LEU 70 2HD1 LEU 70 9.758 9.275 -8.247 573 HD13 LEU 70 3HD1 LEU 70 10.343 7.622 -8.052 574 HD21 LEU 70 3HD2 LEU 70 11.692 10.962 -8.365 575 HD22 LEU 70 1HD2 LEU 70 12.807 10.925 -7.001 576 HD23 LEU 70 2HD2 LEU 70 11.080 11.148 -6.722 577 H VAL 71 H VAL 71 13.317 7.717 -3.011 578 HA VAL 71 HA VAL 71 11.078 7.205 -1.293 579 HB VAL 71 HB VAL 71 13.129 5.807 -1.309 580 HG11 VAL 71 1HG1 VAL 71 14.632 7.907 -1.509 581 HG12 VAL 71 2HG1 VAL 71 15.210 6.584 -0.498 582 HG13 VAL 71 3HG1 VAL 71 14.489 8.012 0.246 583 HG21 VAL 71 3HG2 VAL 71 12.577 7.139 1.366 584 HG22 VAL 71 1HG2 VAL 71 13.350 5.573 1.140 585 HG23 VAL 71 2HG2 VAL 71 11.664 5.797 0.681 586 H GLY 72 H GLY 72 13.681 9.611 -1.212 587 HA2 GLY 72 1HA GLY 72 13.021 10.789 1.296 588 HA3 GLY 72 2HA GLY 72 13.883 11.606 -0.008 589 H SER 73 H SER 73 11.864 11.473 -1.996 590 HA SER 73 HA SER 73 10.299 13.778 -1.328 591 HB2 SER 73 1HB SER 73 10.745 13.409 -3.631 592 HB3 SER 73 2HB SER 73 10.190 11.740 -3.550 593 HG SER 73 HG SER 73 8.343 12.530 -4.145 594 H LEU 74 H LEU 74 9.282 10.403 -1.866 595 HA LEU 74 HA LEU 74 6.585 10.840 -0.991 596 HB2 LEU 74 1HB LEU 74 7.068 8.999 -2.434 597 HB3 LEU 74 2HB LEU 74 8.295 8.376 -1.342 598 HG LEU 74 HG LEU 74 5.609 8.640 -0.084 599 HD11 LEU 74 1HD1 LEU 74 4.710 6.605 -1.194 600 HD12 LEU 74 2HD1 LEU 74 6.035 6.684 -2.345 601 HD13 LEU 74 3HD1 LEU 74 4.847 7.972 -2.296 602 HD21 LEU 74 3HD2 LEU 74 6.178 6.283 0.608 603 HD22 LEU 74 1HD2 LEU 74 7.394 7.472 1.072 604 HD23 LEU 74 2HD2 LEU 74 7.668 6.415 -0.315 605 H ARG 75 H ARG 75 9.447 9.506 0.657 606 HA ARG 75 HA ARG 75 8.068 8.928 3.118 607 HB2 ARG 75 1HB ARG 75 10.297 7.973 2.324 608 HB3 ARG 75 2HB ARG 75 11.020 9.504 2.812 609 HG2 ARG 75 1HG ARG 75 10.133 9.167 5.112 610 HG3 ARG 75 2HG ARG 75 9.485 7.605 4.613 611 HD2 ARG 75 1HD ARG 75 11.741 6.807 4.079 612 HD3 ARG 75 2HD ARG 75 12.418 8.381 4.498 613 HE ARG 75 HE ARG 75 10.879 7.112 6.648 614 HH11 ARG 75 1HH2 ARG 75 13.935 7.551 5.099 615 HH12 ARG 75 2HH2 ARG 75 14.851 7.147 6.513 616 HH21 ARG 75 1HH1 ARG 75 12.063 6.593 8.491 617 HH22 ARG 75 2HH1 ARG 75 13.793 6.604 8.429 618 H LYS 76 H LYS 76 9.257 11.890 1.751 619 HA LYS 76 HA LYS 76 9.718 13.264 4.246 620 HB2 LYS 76 1HB LYS 76 10.759 14.230 2.357 621 HB3 LYS 76 2HB LYS 76 9.304 14.101 1.376 622 HG2 LYS 76 1HG LYS 76 9.125 15.811 3.836 623 HG3 LYS 76 2HG LYS 76 10.093 16.437 2.508 624 HD2 LYS 76 1HD LYS 76 7.365 15.332 1.864 625 HD3 LYS 76 2HD LYS 76 7.474 16.904 2.620 626 HE2 LYS 76 1HE LYS 76 8.914 16.088 0.090 627 HE3 LYS 76 2HE LYS 76 7.444 17.062 0.150 628 HZ1 LYS 76 3HZ LYS 76 10.170 17.762 1.008 629 HZ2 LYS 76 1HZ LYS 76 8.844 18.520 1.745 630 HZ3 LYS 76 2HZ LYS 76 9.075 18.659 0.068 631 H LYS 77 H LYS 77 6.939 12.697 2.160 632 HA LYS 77 HA LYS 77 5.250 14.664 3.326 633 HB2 LYS 77 1HB LYS 77 4.493 12.052 2.009 634 HB3 LYS 77 2HB LYS 77 3.390 13.387 2.332 635 HG2 LYS 77 1HG LYS 77 5.201 14.792 0.983 636 HG3 LYS 77 2HG LYS 77 5.625 13.212 0.327 637 HD2 LYS 77 1HD LYS 77 2.862 14.463 0.279 638 HD3 LYS 77 2HD LYS 77 3.958 14.332 -1.097 639 HE2 LYS 77 1HE LYS 77 2.613 12.084 0.416 640 HE3 LYS 77 2HE LYS 77 2.432 12.500 -1.288 641 HZ1 LYS 77 3HZ LYS 77 3.918 10.771 -1.372 642 HZ2 LYS 77 1HZ LYS 77 4.688 11.200 0.077 643 HZ3 LYS 77 2HZ LYS 77 4.975 12.101 -1.335 644 HA PRO 78 HA PRO 78 4.457 12.633 7.229 645 HB2 PRO 78 1HB PRO 78 2.241 14.010 8.046 646 HB3 PRO 78 2HB PRO 78 3.873 14.708 8.059 647 HG2 PRO 78 1HG PRO 78 1.673 15.081 6.075 648 HG3 PRO 78 2HG PRO 78 2.818 16.268 6.729 649 HD2 PRO 78 1HD PRO 78 3.118 15.099 4.252 650 HD3 PRO 78 2HD PRO 78 4.484 15.691 5.228 651 H GLY 79 H GLY 79 2.925 11.210 8.271 652 HA2 GLY 79 1HA GLY 79 0.957 9.855 8.357 653 HA3 GLY 79 2HA GLY 79 0.517 10.436 6.755 654 H ILE 80 H ILE 80 3.459 9.869 6.000 655 HA ILE 80 HA ILE 80 2.999 6.987 5.360 656 HB ILE 80 HB ILE 80 4.898 8.989 4.111 657 HG12 ILE 80 1HG1 ILE 80 2.299 7.811 3.068 658 HG13 ILE 80 2HG1 ILE 80 2.450 9.432 3.744 659 HG21 ILE 80 1HG2 ILE 80 5.783 6.782 3.838 660 HG22 ILE 80 2HG2 ILE 80 4.953 7.156 2.333 661 HG23 ILE 80 3HG2 ILE 80 4.187 6.107 3.518 662 HD11 ILE 80 3HD1 ILE 80 3.612 8.342 1.189 663 HD12 ILE 80 1HD1 ILE 80 4.341 9.740 1.972 664 HD13 ILE 80 2HD1 ILE 80 2.668 9.807 1.434 665 H TYR 81 H TYR 81 4.062 5.603 6.652 666 HA TYR 81 HA TYR 81 6.600 6.492 7.952 667 HB2 TYR 81 1HB TYR 81 4.528 4.402 8.639 668 HB3 TYR 81 2HB TYR 81 6.117 4.409 9.400 669 HD1 TYR 81 HD2 TYR 81 6.807 6.246 10.876 670 HD2 TYR 81 HD1 TYR 81 2.923 6.187 9.046 671 HE1 TYR 81 HE2 TYR 81 6.056 8.042 12.412 672 HE2 TYR 81 HE1 TYR 81 2.172 7.986 10.577 673 HH TYR 81 HH TYR 81 2.909 8.796 12.958 674 HA PRO 82 HA PRO 82 8.887 3.686 5.403 675 HB2 PRO 82 1HB PRO 82 10.961 3.023 7.062 676 HB3 PRO 82 2HB PRO 82 10.801 4.621 6.305 677 HG2 PRO 82 1HG PRO 82 10.049 3.763 9.072 678 HG3 PRO 82 2HG PRO 82 10.899 5.228 8.541 679 HD2 PRO 82 1HD PRO 82 8.254 5.260 9.134 680 HD3 PRO 82 2HD PRO 82 8.936 6.285 7.854 681 H ALA 83 H ALA 83 9.326 1.445 5.067 682 HA ALA 83 HA ALA 83 7.547 -0.376 6.353 683 HB1 ALA 83 3HB ALA 83 8.974 -2.123 5.154 684 HB2 ALA 83 1HB ALA 83 9.956 -0.778 4.572 685 HB3 ALA 83 2HB ALA 83 8.252 -0.882 4.130 686 H TYR 84 H TYR 84 7.855 -1.819 8.012 687 HA TYR 84 HA TYR 84 10.235 -1.413 9.716 688 HB2 TYR 84 1HB TYR 84 8.964 -2.696 11.379 689 HB3 TYR 84 2HB TYR 84 7.955 -1.418 10.707 690 HD1 TYR 84 HD1 TYR 84 8.614 -5.057 10.719 691 HD2 TYR 84 HD2 TYR 84 6.039 -1.923 9.299 692 HE1 TYR 84 HE1 TYR 84 6.934 -6.747 10.030 693 HE2 TYR 84 HE2 TYR 84 4.362 -3.616 8.607 694 HH TYR 84 HH TYR 84 4.449 -6.817 9.636 695 H HIS 85 H HIS 85 9.591 -3.279 7.108 696 HA HIS 85 HA HIS 85 10.540 -5.862 8.079 697 HB2 HIS 85 1HB HIS 85 10.075 -4.751 5.301 698 HB3 HIS 85 2HB HIS 85 10.612 -6.403 5.611 699 HD1 HIS 85 HD1 HIS 85 7.650 -4.121 6.031 700 HD2 HIS 85 HD2 HIS 85 8.623 -8.122 6.678 701 HE1 HIS 85 HE1 HIS 85 5.473 -5.316 6.525 702 H MET 86 H MET 86 12.346 -6.700 6.207 703 HA MET 86 HA MET 86 14.835 -5.666 7.162 704 HB2 MET 86 1HB MET 86 14.154 -7.326 4.716 705 HB3 MET 86 2HB MET 86 15.802 -7.006 5.255 706 HG2 MET 86 1HG MET 86 15.321 -8.080 7.416 707 HG3 MET 86 2HG MET 86 13.655 -8.367 6.913 708 HE1 MET 86 3HE MET 86 13.588 -10.915 7.170 709 HE2 MET 86 1HE MET 86 15.127 -10.661 8.004 710 HE3 MET 86 2HE MET 86 14.967 -11.954 6.818 711 H ASN 87 H ASN 87 12.995 -5.060 4.176 712 HA ASN 87 HA ASN 87 15.040 -3.253 3.124 713 HB2 ASN 87 1HB ASN 87 12.220 -3.910 2.245 714 HB3 ASN 87 2HB ASN 87 13.264 -2.775 1.390 715 HD21 ASN 87 2HD2 ASN 87 15.733 -4.409 1.998 716 HD22 ASN 87 1HD2 ASN 87 15.639 -5.754 0.971 717 H LYS 88 H LYS 88 13.785 -1.093 2.182 718 HA LYS 88 HA LYS 88 12.043 0.198 4.117 719 HB2 LYS 88 1HB LYS 88 14.227 0.289 5.313 720 HB3 LYS 88 2HB LYS 88 14.926 1.126 3.927 721 HG2 LYS 88 1HG LYS 88 13.318 2.968 4.204 722 HG3 LYS 88 2HG LYS 88 12.584 2.131 5.572 723 HD2 LYS 88 1HD LYS 88 14.738 2.226 6.781 724 HD3 LYS 88 2HD LYS 88 15.462 3.075 5.416 725 HE2 LYS 88 1HE LYS 88 14.864 4.820 6.879 726 HE3 LYS 88 2HE LYS 88 13.525 4.780 5.732 727 HZ1 LYS 88 3HZ LYS 88 13.534 4.225 8.536 728 HZ2 LYS 88 1HZ LYS 88 12.827 2.968 7.644 729 HZ3 LYS 88 2HZ LYS 88 12.227 4.551 7.501 730 H GLU 89 H GLU 89 14.651 1.127 1.851 731 HA GLU 89 HA GLU 89 13.162 3.301 0.697 732 HB2 GLU 89 1HB GLU 89 14.946 3.323 -1.001 733 HB3 GLU 89 2HB GLU 89 15.637 3.156 0.613 734 HG2 GLU 89 1HG GLU 89 15.648 0.650 0.249 735 HG3 GLU 89 2HG GLU 89 15.202 0.960 -1.428 736 H HIS 90 H HIS 90 13.652 -0.076 -0.219 737 HA HIS 90 HA HIS 90 12.384 0.069 -2.774 738 HB2 HIS 90 1HB HIS 90 12.663 -2.228 -0.818 739 HB3 HIS 90 2HB HIS 90 12.128 -2.401 -2.490 740 HD1 HIS 90 HD1 HIS 90 13.916 -1.396 -4.322 741 HD2 HIS 90 HD2 HIS 90 15.413 -2.312 -0.542 742 HE1 HIS 90 HE1 HIS 90 16.432 -1.543 -4.566 743 H TRP 91 H TRP 91 11.102 -0.938 0.412 744 HA TRP 91 HA TRP 91 8.330 -0.507 -0.663 745 HB2 TRP 91 1HB TRP 91 9.054 -2.216 1.720 746 HB3 TRP 91 2HB TRP 91 7.557 -2.215 0.787 747 HD1 TRP 91 HD1 TRP 91 8.955 -2.209 -2.113 748 HE1 TRP 91 HE1 TRP 91 10.028 -4.388 -2.965 749 HE3 TRP 91 HE3 TRP 91 9.635 -4.649 2.322 750 HZ2 TRP 91 HZ2 TRP 91 11.043 -6.844 -1.909 751 HZ3 TRP 91 HZ3 TRP 91 10.658 -6.906 2.368 752 HH2 TRP 91 HH2 TRP 91 11.362 -8.005 0.260 753 H ILE 92 H ILE 92 7.026 0.905 0.409 754 HA ILE 92 HA ILE 92 7.989 2.014 3.019 755 HB ILE 92 HB ILE 92 6.749 3.585 0.738 756 HG12 ILE 92 1HG1 ILE 92 9.231 2.768 0.547 757 HG13 ILE 92 2HG1 ILE 92 8.874 4.461 0.242 758 HG21 ILE 92 1HG2 ILE 92 7.582 4.270 3.554 759 HG22 ILE 92 2HG2 ILE 92 6.082 4.668 2.716 760 HG23 ILE 92 3HG2 ILE 92 7.575 5.506 2.301 761 HD11 ILE 92 3HD1 ILE 92 10.879 3.905 1.790 762 HD12 ILE 92 1HD1 ILE 92 9.663 3.528 3.004 763 HD13 ILE 92 2HD1 ILE 92 9.748 5.146 2.324 764 H THR 93 H THR 93 6.460 2.099 4.561 765 HA THR 93 HA THR 93 3.820 0.988 3.970 766 HB THR 93 HB THR 93 4.923 2.108 6.562 767 HG1 THR 93 HG1 THR 93 5.938 0.211 5.353 768 HG21 THR 93 3HG2 THR 93 2.491 1.904 6.569 769 HG22 THR 93 1HG2 THR 93 3.194 0.632 7.569 770 HG23 THR 93 2HG2 THR 93 2.605 0.256 5.949 771 H VAL 94 H VAL 94 1.990 2.154 3.639 772 HA VAL 94 HA VAL 94 2.085 5.115 4.129 773 HB VAL 94 HB VAL 94 0.691 3.474 2.002 774 HG11 VAL 94 1HG1 VAL 94 0.237 6.325 2.903 775 HG12 VAL 94 2HG1 VAL 94 -0.963 5.066 2.610 776 HG13 VAL 94 3HG1 VAL 94 -0.121 5.813 1.253 777 HG21 VAL 94 3HG2 VAL 94 2.035 4.768 0.487 778 HG22 VAL 94 1HG2 VAL 94 3.118 4.203 1.759 779 HG23 VAL 94 2HG2 VAL 94 2.533 5.867 1.773 780 H LEU 95 H LEU 95 0.571 5.948 5.467 781 HA LEU 95 HA LEU 95 -1.295 4.083 6.772 782 HB2 LEU 95 1HB LEU 95 0.058 5.770 8.046 783 HB3 LEU 95 2HB LEU 95 -0.866 7.044 7.256 784 HG LEU 95 HG LEU 95 -2.960 6.056 8.187 785 HD11 LEU 95 1HD1 LEU 95 -2.623 3.810 8.653 786 HD12 LEU 95 2HD1 LEU 95 -2.376 4.484 10.260 787 HD13 LEU 95 3HD1 LEU 95 -0.988 4.065 9.262 788 HD21 LEU 95 3HD2 LEU 95 -2.660 6.957 10.393 789 HD22 LEU 95 1HD2 LEU 95 -1.593 7.876 9.332 790 HD23 LEU 95 2HD2 LEU 95 -0.931 6.612 10.369 791 H LEU 96 H LEU 96 -3.069 3.683 5.517 792 HA LEU 96 HA LEU 96 -4.326 5.583 3.766 793 HB2 LEU 96 1HB LEU 96 -5.273 3.013 5.047 794 HB3 LEU 96 2HB LEU 96 -6.263 3.923 3.910 795 HG LEU 96 HG LEU 96 -3.447 2.992 3.277 796 HD11 LEU 96 1HD1 LEU 96 -4.613 0.964 3.611 797 HD12 LEU 96 2HD1 LEU 96 -4.729 1.240 1.875 798 HD13 LEU 96 3HD1 LEU 96 -6.105 1.601 2.917 799 HD21 LEU 96 3HD2 LEU 96 -3.989 4.648 1.703 800 HD22 LEU 96 1HD2 LEU 96 -5.705 4.245 1.711 801 HD23 LEU 96 2HD2 LEU 96 -4.555 3.197 0.887 802 H ASN 97 H ASN 97 -4.921 4.584 7.104 803 HA ASN 97 HA ASN 97 -7.268 6.275 7.403 804 HB2 ASN 97 1HB ASN 97 -5.491 4.895 9.437 805 HB3 ASN 97 2HB ASN 97 -7.020 5.689 9.817 806 HD21 ASN 97 2HD2 ASN 97 -8.251 4.781 7.211 807 HD22 ASN 97 1HD2 ASN 97 -8.579 3.131 7.424 808 H GLY 98 H GLY 98 -4.299 7.183 6.756 809 HA2 GLY 98 1HA GLY 98 -3.879 9.155 8.909 810 HA3 GLY 98 2HA GLY 98 -2.819 8.860 7.536 811 HA PRO 99 HA PRO 99 -5.217 12.745 6.630 812 HB2 PRO 99 1HB PRO 99 -3.089 14.392 6.232 813 HB3 PRO 99 2HB PRO 99 -3.705 14.025 7.856 814 HG2 PRO 99 1HG PRO 99 -1.325 12.915 6.439 815 HG3 PRO 99 2HG PRO 99 -1.518 13.347 8.148 816 HD2 PRO 99 1HD PRO 99 -1.693 10.760 7.160 817 HD3 PRO 99 2HD PRO 99 -2.415 11.286 8.691 818 H LEU 100 H LEU 100 -3.303 10.600 4.971 819 HA LEU 100 HA LEU 100 -2.674 11.944 2.554 820 HB2 LEU 100 1HB LEU 100 -3.119 9.078 3.328 821 HB3 LEU 100 2HB LEU 100 -2.924 9.477 1.623 822 HG LEU 100 HG LEU 100 -0.777 8.871 2.774 823 HD11 LEU 100 1HD1 LEU 100 0.432 10.332 1.485 824 HD12 LEU 100 2HD1 LEU 100 -0.414 11.755 2.076 825 HD13 LEU 100 3HD1 LEU 100 -1.150 10.738 0.840 826 HD21 LEU 100 3HD2 LEU 100 -1.536 10.009 4.946 827 HD22 LEU 100 1HD2 LEU 100 -1.049 11.528 4.192 828 HD23 LEU 100 2HD2 LEU 100 0.143 10.258 4.469 829 H GLY 101 H GLY 101 -3.808 12.472 0.786 830 HA2 GLY 101 1HA GLY 101 -6.738 12.223 0.883 831 HA3 GLY 101 2HA GLY 101 -5.811 13.179 -0.270 832 H ALA 102 H ALA 102 -7.957 11.408 -0.946 833 HA ALA 102 HA ALA 102 -7.056 8.874 -1.920 834 HB1 ALA 102 3HB ALA 102 -9.083 8.998 -3.362 835 HB2 ALA 102 1HB ALA 102 -9.277 10.689 -2.903 836 HB3 ALA 102 2HB ALA 102 -9.435 9.422 -1.687 837 H LYS 103 H LYS 103 -7.239 12.088 -3.432 838 HA LYS 103 HA LYS 103 -6.287 11.212 -6.013 839 HB2 LYS 103 1HB LYS 103 -6.004 13.611 -6.473 840 HB3 LYS 103 2HB LYS 103 -7.555 13.318 -5.688 841 HG2 LYS 103 1HG LYS 103 -6.504 13.904 -3.492 842 HG3 LYS 103 2HG LYS 103 -5.021 14.318 -4.351 843 HD2 LYS 103 1HD LYS 103 -6.231 16.019 -5.653 844 HD3 LYS 103 2HD LYS 103 -7.727 15.605 -4.816 845 HE2 LYS 103 1HE LYS 103 -6.701 16.251 -2.663 846 HE3 LYS 103 2HE LYS 103 -5.209 16.673 -3.502 847 HZ1 LYS 103 3HZ LYS 103 -7.426 17.930 -4.734 848 HZ2 LYS 103 1HZ LYS 103 -6.049 18.636 -4.040 849 HZ3 LYS 103 2HZ LYS 103 -7.405 18.294 -3.075 850 H GLU 104 H GLU 104 -4.739 12.404 -3.078 851 HA GLU 104 HA GLU 104 -2.122 12.804 -4.177 852 HB2 GLU 104 1HB GLU 104 -3.047 12.117 -1.372 853 HB3 GLU 104 2HB GLU 104 -1.386 12.550 -1.778 854 HG2 GLU 104 1HG GLU 104 -2.135 14.729 -2.623 855 HG3 GLU 104 2HG GLU 104 -3.813 14.295 -2.296 856 H ILE 105 H ILE 105 -3.672 10.009 -2.628 857 HA ILE 105 HA ILE 105 -1.392 8.276 -2.709 858 HB ILE 105 HB ILE 105 -4.365 7.684 -2.696 859 HG12 ILE 105 1HG1 ILE 105 -2.327 7.451 -0.465 860 HG13 ILE 105 2HG1 ILE 105 -3.301 8.898 -0.725 861 HG21 ILE 105 1HG2 ILE 105 -1.951 5.875 -2.495 862 HG22 ILE 105 2HG2 ILE 105 -3.361 5.705 -3.541 863 HG23 ILE 105 3HG2 ILE 105 -3.511 5.417 -1.808 864 HD11 ILE 105 3HD1 ILE 105 -5.357 7.621 -0.441 865 HD12 ILE 105 1HD1 ILE 105 -4.311 7.338 0.951 866 HD13 ILE 105 2HD1 ILE 105 -4.442 6.118 -0.316 867 H HIS 106 H HIS 106 -4.083 8.802 -4.973 868 HA HIS 106 HA HIS 106 -3.487 6.776 -6.848 869 HB2 HIS 106 1HB HIS 106 -4.619 9.556 -7.255 870 HB3 HIS 106 2HB HIS 106 -4.601 8.315 -8.505 871 HD1 HIS 106 HD1 HIS 106 -7.340 9.121 -7.834 872 HD2 HIS 106 HD2 HIS 106 -5.348 6.289 -5.512 873 HE1 HIS 106 HE1 HIS 106 -9.130 7.809 -6.614 874 H SER 107 H SER 107 -2.238 10.104 -6.641 875 HA SER 107 HA SER 107 -0.654 10.036 -9.010 876 HB2 SER 107 1HB SER 107 -1.026 12.154 -7.988 877 HB3 SER 107 2HB SER 107 -0.447 11.585 -6.425 878 HG SER 107 HG SER 107 1.366 12.420 -7.101 879 H LEU 108 H LEU 108 0.164 9.241 -5.635 880 HA LEU 108 HA LEU 108 2.915 8.631 -6.107 881 HB2 LEU 108 1HB LEU 108 1.006 7.562 -4.005 882 HB3 LEU 108 2HB LEU 108 2.759 7.379 -3.958 883 HG LEU 108 HG LEU 108 1.280 10.028 -4.007 884 HD11 LEU 108 1HD1 LEU 108 0.936 8.930 -1.879 885 HD12 LEU 108 2HD1 LEU 108 2.134 10.202 -1.650 886 HD13 LEU 108 3HD1 LEU 108 2.645 8.519 -1.761 887 HD21 LEU 108 3HD2 LEU 108 4.183 9.261 -4.115 888 HD22 LEU 108 1HD2 LEU 108 3.743 10.703 -3.199 889 HD23 LEU 108 2HD2 LEU 108 3.344 10.589 -4.910 890 H ILE 109 H ILE 109 -0.009 6.608 -6.188 891 HA ILE 109 HA ILE 109 1.339 4.120 -6.617 892 HB ILE 109 HB ILE 109 -1.435 5.039 -7.429 893 HG12 ILE 109 1HG1 ILE 109 -0.552 3.192 -5.191 894 HG13 ILE 109 2HG1 ILE 109 -0.823 4.921 -4.967 895 HG21 ILE 109 1HG2 ILE 109 -1.814 2.480 -7.496 896 HG22 ILE 109 2HG2 ILE 109 -0.060 2.351 -7.611 897 HG23 ILE 109 3HG2 ILE 109 -0.965 3.204 -8.861 898 HD11 ILE 109 3HD1 ILE 109 -2.900 3.001 -6.059 899 HD12 ILE 109 1HD1 ILE 109 -3.145 4.700 -5.654 900 HD13 ILE 109 2HD1 ILE 109 -2.821 3.527 -4.377 901 H GLU 110 H GLU 110 0.077 6.568 -8.871 902 HA GLU 110 HA GLU 110 0.516 5.249 -11.312 903 HB2 GLU 110 1HB GLU 110 -0.489 7.545 -11.010 904 HB3 GLU 110 2HB GLU 110 1.140 8.164 -10.743 905 HG2 GLU 110 1HG GLU 110 0.618 8.530 -13.062 906 HG3 GLU 110 2HG GLU 110 1.774 7.200 -12.999 907 H ASP 111 H ASP 111 2.809 7.087 -9.309 908 HA ASP 111 HA ASP 111 5.073 6.814 -11.034 909 HB2 ASP 111 1HB ASP 111 4.709 7.290 -8.077 910 HB3 ASP 111 2HB ASP 111 6.324 7.085 -8.751 911 H SER 112 H SER 112 3.889 4.778 -8.346 912 HA SER 112 HA SER 112 6.066 2.885 -8.529 913 HB2 SER 112 1HB SER 112 4.622 1.446 -7.128 914 HB3 SER 112 2HB SER 112 4.711 3.086 -6.499 915 HG SER 112 HG SER 112 2.575 1.690 -7.391 916 H PHE 113 H PHE 113 2.960 3.226 -10.112 917 HA PHE 113 HA PHE 113 2.660 0.618 -11.168 918 HB2 PHE 113 1HB PHE 113 0.936 2.406 -11.318 919 HB3 PHE 113 2HB PHE 113 1.941 3.243 -12.501 920 HD1 PHE 113 HD2 PHE 113 0.475 -0.151 -11.859 921 HD2 PHE 113 HD1 PHE 113 1.589 2.797 -14.779 922 HE1 PHE 113 HE2 PHE 113 -0.475 -1.571 -13.654 923 HE2 PHE 113 HE1 PHE 113 0.637 1.374 -16.576 924 HZ PHE 113 HZ PHE 113 -0.394 -0.810 -16.012 925 H GLN 114 H GLN 114 4.414 3.434 -12.441 926 HA GLN 114 HA GLN 114 5.236 2.460 -14.924 927 HB2 GLN 114 1HB GLN 114 6.778 4.110 -12.910 928 HB3 GLN 114 2HB GLN 114 7.292 3.866 -14.580 929 HG2 GLN 114 1HG GLN 114 5.207 4.863 -15.396 930 HG3 GLN 114 2HG GLN 114 4.631 5.053 -13.740 931 HE21 GLN 114 2HE2 GLN 114 5.603 7.006 -16.050 932 HE22 GLN 114 1HE2 GLN 114 6.589 8.098 -15.203 933 H LEU 115 H LEU 115 6.395 1.568 -11.727 934 HA LEU 115 HA LEU 115 8.653 0.012 -12.784 935 HB2 LEU 115 1HB LEU 115 7.473 0.476 -10.045 936 HB3 LEU 115 2HB LEU 115 8.711 -0.752 -10.301 937 HG LEU 115 HG LEU 115 10.183 0.998 -11.307 938 HD11 LEU 115 1HD1 LEU 115 7.825 2.736 -10.558 939 HD12 LEU 115 2HD1 LEU 115 8.665 2.638 -12.106 940 HD13 LEU 115 3HD1 LEU 115 9.448 3.405 -10.727 941 HD21 LEU 115 3HD2 LEU 115 9.228 1.858 -8.567 942 HD22 LEU 115 1HD2 LEU 115 10.866 1.919 -9.214 943 HD23 LEU 115 2HD2 LEU 115 10.134 0.366 -8.817 944 H THR 116 H THR 116 5.311 -0.484 -12.161 945 HA THR 116 HA THR 116 5.640 -3.453 -12.086 946 HB THR 116 HB THR 116 3.369 -3.537 -11.286 947 HG1 THR 116 HG1 THR 116 2.197 -2.071 -12.255 948 HG21 THR 116 3HG2 THR 116 4.920 -1.269 -10.002 949 HG22 THR 116 1HG2 THR 116 4.983 -2.974 -9.562 950 HG23 THR 116 2HG2 THR 116 3.516 -2.040 -9.272 951 H ARG 117 H ARG 117 5.712 -1.378 -14.453 952 HA ARG 117 HA ARG 117 3.459 -1.956 -16.109 953 HB2 ARG 117 1HB ARG 117 6.287 -1.113 -16.778 954 HB3 ARG 117 2HB ARG 117 5.015 -1.253 -17.990 955 HG2 ARG 117 1HG ARG 117 4.490 0.370 -15.511 956 HG3 ARG 117 2HG ARG 117 5.473 1.071 -16.794 957 HD2 ARG 117 1HD ARG 117 2.683 -0.066 -17.179 958 HD3 ARG 117 2HD ARG 117 3.069 1.647 -17.044 959 HE ARG 117 HE ARG 117 4.699 0.660 -19.098 960 HH11 ARG 117 1HH2 ARG 117 1.338 0.911 -18.354 961 HH12 ARG 117 2HH2 ARG 117 0.850 1.033 -20.011 962 HH21 ARG 117 1HH1 ARG 117 4.077 0.814 -21.255 963 HH22 ARG 117 2HH1 ARG 117 2.399 0.978 -21.654 964 H LEU 118 H LEU 118 3.092 -3.549 -17.605 965 HA LEU 118 HA LEU 118 4.499 -6.059 -17.220 966 HB2 LEU 118 1HB LEU 118 2.181 -5.143 -18.913 967 HB3 LEU 118 2HB LEU 118 2.886 -6.742 -19.159 968 HG LEU 118 HG LEU 118 2.532 -7.249 -16.757 969 HD11 LEU 118 1HD1 LEU 118 0.923 -5.636 -15.557 970 HD12 LEU 118 2HD1 LEU 118 1.375 -4.458 -16.789 971 HD13 LEU 118 3HD1 LEU 118 2.602 -5.119 -15.708 972 HD21 LEU 118 3HD2 LEU 118 -0.012 -6.257 -18.070 973 HD22 LEU 118 1HD2 LEU 118 0.143 -7.569 -16.902 974 HD23 LEU 118 2HD2 LEU 118 0.805 -7.753 -18.526 975 H GLU 119 H GLU 119 5.615 -7.248 -18.816 976 HA GLU 119 HA GLU 119 7.210 -7.513 -20.485 977 HB2 GLU 119 1HB GLU 119 5.353 -5.549 -21.858 978 HB3 GLU 119 2HB GLU 119 6.691 -6.366 -22.665 979 HG2 GLU 119 1HG GLU 119 5.731 -8.548 -22.097 980 HG3 GLU 119 2HG GLU 119 4.407 -7.757 -21.242 981 H HIS 120 H HIS 120 8.691 -6.441 -18.948 982 HA HIS 120 HA HIS 120 9.320 -3.653 -19.163 983 HB2 HIS 120 1HB HIS 120 11.571 -4.487 -18.146 984 HB3 HIS 120 2HB HIS 120 10.102 -4.688 -17.193 985 HD1 HIS 120 HD1 HIS 120 9.912 -7.058 -19.874 986 HD2 HIS 120 HD2 HIS 120 11.918 -6.959 -16.221 987 HE1 HIS 120 HE1 HIS 120 10.545 -9.451 -19.340 988 H HIS 121 H HIS 121 10.586 -6.555 -20.763 989 HA HIS 121 HA HIS 121 11.597 -4.870 -22.950 990 HB2 HIS 121 1HB HIS 121 13.881 -5.928 -22.813 991 HB3 HIS 121 2HB HIS 121 13.526 -4.804 -21.503 992 HD1 HIS 121 HD1 HIS 121 13.455 -8.554 -22.195 993 HD2 HIS 121 HD2 HIS 121 13.762 -5.920 -18.979 994 HE1 HIS 121 HE1 HIS 121 13.922 -9.972 -20.148 995 H HIS 122 H HIS 122 11.850 -6.013 -24.870 996 HA HIS 122 HA HIS 122 11.968 -8.861 -25.080 997 HB2 HIS 122 1HB HIS 122 9.656 -8.796 -24.264 998 HB3 HIS 122 2HB HIS 122 9.228 -7.620 -25.506 999 HD1 HIS 122 HD1 HIS 122 10.620 -11.166 -25.275 1000 HD2 HIS 122 HD2 HIS 122 8.371 -8.791 -27.859 1001 HE1 HIS 122 HE1 HIS 122 9.865 -12.677 -27.163 1002 H HIS 123 H HIS 123 13.594 -8.027 -26.563 1003 HA HIS 123 HA HIS 123 12.538 -7.667 -29.270 1004 HB2 HIS 123 1HB HIS 123 13.955 -5.568 -29.617 1005 HB3 HIS 123 2HB HIS 123 12.491 -5.349 -28.663 1006 HD1 HIS 123 HD1 HIS 123 12.781 -5.046 -26.078 1007 HD2 HIS 123 HD2 HIS 123 16.369 -5.195 -28.195 1008 HE1 HIS 123 HE1 HIS 123 14.583 -4.241 -24.491 1009 H HIS 124 H HIS 124 13.824 -8.886 -30.542 1010 HA HIS 124 HA HIS 124 16.276 -10.062 -29.609 1011 HB2 HIS 124 1HB HIS 124 14.982 -9.869 -32.340 1012 HB3 HIS 124 2HB HIS 124 16.485 -10.748 -32.064 1013 HD1 HIS 124 HD1 HIS 124 12.836 -10.756 -31.039 1014 HD2 HIS 124 HD2 HIS 124 16.161 -13.264 -30.864 1015 HE1 HIS 124 HE1 HIS 124 11.998 -13.001 -30.219 1016 H HIS 125 H HIS 125 15.562 -7.348 -31.781 1017 HA HIS 125 HA HIS 125 18.052 -6.038 -31.182 1018 HB2 HIS 125 1HB HIS 125 19.116 -6.209 -33.392 1019 HB3 HIS 125 2HB HIS 125 18.941 -7.810 -32.676 1020 HD1 HIS 125 HD1 HIS 125 17.187 -9.412 -33.729 1021 HD2 HIS 125 HD2 HIS 125 17.480 -5.737 -35.676 1022 HE1 HIS 125 HE1 HIS 125 15.949 -9.663 -35.924 Start of MODEL 2 1 H1 MET 1 1H MET 1 -10.662 7.799 2.719 2 H2 MET 1 2H MET 1 -9.440 8.433 1.724 3 H3 MET 1 3H MET 1 -9.034 7.469 3.062 4 HA MET 1 HA MET 1 -10.599 6.506 0.733 5 HB2 MET 1 1HB MET 1 -8.240 7.144 0.163 6 HB3 MET 1 2HB MET 1 -7.680 6.017 1.398 7 HG2 MET 1 1HG MET 1 -7.609 4.860 -0.719 8 HG3 MET 1 2HG MET 1 -8.959 4.198 0.196 9 HE1 MET 1 3HE MET 1 -8.119 4.941 -3.312 10 HE2 MET 1 1HE MET 1 -7.669 6.439 -2.487 11 HE3 MET 1 2HE MET 1 -8.934 6.449 -3.713 12 H ASN 2 H ASN 2 -11.585 4.606 1.194 13 HA ASN 2 HA ASN 2 -11.037 3.333 3.818 14 HB2 ASN 2 1HB ASN 2 -13.248 2.966 1.779 15 HB3 ASN 2 2HB ASN 2 -13.129 2.049 3.279 16 HD21 ASN 2 2HD2 ASN 2 -11.962 4.563 4.645 17 HD22 ASN 2 1HD2 ASN 2 -13.320 5.532 4.943 18 H ARG 3 H ARG 3 -11.065 0.921 3.879 19 HA ARG 3 HA ARG 3 -8.988 -0.182 2.265 20 HB2 ARG 3 1HB ARG 3 -9.634 -0.987 4.545 21 HB3 ARG 3 2HB ARG 3 -11.107 -1.662 3.853 22 HG2 ARG 3 1HG ARG 3 -9.774 -3.092 2.363 23 HG3 ARG 3 2HG ARG 3 -8.295 -2.406 3.021 24 HD2 ARG 3 1HD ARG 3 -8.693 -4.518 4.141 25 HD3 ARG 3 2HD ARG 3 -9.003 -3.222 5.296 26 HE ARG 3 HE ARG 3 -11.431 -3.896 3.939 27 HH11 ARG 3 1HH2 ARG 3 -9.151 -5.062 6.260 28 HH12 ARG 3 2HH2 ARG 3 -10.317 -6.014 7.119 29 HH21 ARG 3 1HH1 ARG 3 -12.958 -5.140 5.054 30 HH22 ARG 3 2HH1 ARG 3 -12.465 -6.058 6.438 31 H GLN 4 H GLN 4 -12.537 -0.526 2.104 32 HA GLN 4 HA GLN 4 -12.563 -2.436 -0.026 33 HB2 GLN 4 1HB GLN 4 -14.482 -1.546 1.564 34 HB3 GLN 4 2HB GLN 4 -14.746 -0.372 0.277 35 HG2 GLN 4 1HG GLN 4 -14.803 -3.395 0.013 36 HG3 GLN 4 2HG GLN 4 -16.178 -2.297 -0.116 37 HE21 GLN 4 2HE2 GLN 4 -14.443 -4.148 -2.085 38 HE22 GLN 4 1HE2 GLN 4 -14.325 -3.162 -3.461 39 H GLN 5 H GLN 5 -12.528 1.106 0.003 40 HA GLN 5 HA GLN 5 -12.940 1.505 -2.796 41 HB2 GLN 5 1HB GLN 5 -11.475 3.156 -0.717 42 HB3 GLN 5 2HB GLN 5 -11.805 3.716 -2.357 43 HG2 GLN 5 1HG GLN 5 -13.956 2.767 -0.444 44 HG3 GLN 5 2HG GLN 5 -13.510 4.460 -0.654 45 HE21 GLN 5 2HE2 GLN 5 -13.068 4.425 -3.502 46 HE22 GLN 5 1HE2 GLN 5 -14.562 4.160 -4.263 47 H PHE 6 H PHE 6 -10.007 0.986 -0.866 48 HA PHE 6 HA PHE 6 -8.105 1.440 -2.940 49 HB2 PHE 6 1HB PHE 6 -7.474 1.271 -0.575 50 HB3 PHE 6 2HB PHE 6 -7.961 -0.424 -0.551 51 HD1 PHE 6 HD1 PHE 6 -5.531 1.996 -1.963 52 HD2 PHE 6 HD2 PHE 6 -6.572 -2.143 -1.486 53 HE1 PHE 6 HE1 PHE 6 -3.293 1.333 -2.794 54 HE2 PHE 6 HE2 PHE 6 -4.330 -2.803 -2.317 55 HZ PHE 6 HZ PHE 6 -2.686 -1.058 -2.969 56 H ILE 7 H ILE 7 -9.681 -1.576 -1.849 57 HA ILE 7 HA ILE 7 -8.385 -3.285 -3.744 58 HB ILE 7 HB ILE 7 -11.099 -3.577 -2.413 59 HG12 ILE 7 1HG1 ILE 7 -8.390 -4.681 -1.606 60 HG13 ILE 7 2HG1 ILE 7 -9.140 -3.266 -0.871 61 HG21 ILE 7 1HG2 ILE 7 -10.863 -5.100 -4.315 62 HG22 ILE 7 2HG2 ILE 7 -10.719 -6.008 -2.814 63 HG23 ILE 7 3HG2 ILE 7 -9.275 -5.608 -3.741 64 HD11 ILE 7 3HD1 ILE 7 -11.161 -4.769 -0.399 65 HD12 ILE 7 1HD1 ILE 7 -9.710 -5.089 0.552 66 HD13 ILE 7 2HD1 ILE 7 -10.115 -6.126 -0.816 67 H ASP 8 H ASP 8 -11.514 -1.572 -3.840 68 HA ASP 8 HA ASP 8 -12.306 -2.550 -6.423 69 HB2 ASP 8 1HB ASP 8 -13.078 -0.215 -4.674 70 HB3 ASP 8 2HB ASP 8 -13.682 -0.282 -6.328 71 H TYR 9 H TYR 9 -10.440 0.274 -5.375 72 HA TYR 9 HA TYR 9 -10.275 1.597 -7.892 73 HB2 TYR 9 1HB TYR 9 -9.608 2.683 -5.810 74 HB3 TYR 9 2HB TYR 9 -8.306 1.514 -5.586 75 HD1 TYR 9 HD2 TYR 9 -9.564 4.176 -7.881 76 HD2 TYR 9 HD1 TYR 9 -6.198 1.823 -6.620 77 HE1 TYR 9 HE2 TYR 9 -8.061 5.582 -9.265 78 HE2 TYR 9 HE1 TYR 9 -4.696 3.230 -8.003 79 HH TYR 9 HH TYR 9 -4.540 5.061 -9.264 80 H ALA 10 H ALA 10 -8.162 -0.846 -6.398 81 HA ALA 10 HA ALA 10 -6.224 -0.922 -8.488 82 HB1 ALA 10 3HB ALA 10 -7.074 -3.113 -6.573 83 HB2 ALA 10 1HB ALA 10 -5.841 -1.892 -6.258 84 HB3 ALA 10 2HB ALA 10 -5.585 -3.098 -7.519 85 H GLN 11 H GLN 11 -9.277 -2.666 -8.034 86 HA GLN 11 HA GLN 11 -8.948 -4.581 -10.109 87 HB2 GLN 11 1HB GLN 11 -11.415 -3.271 -8.941 88 HB3 GLN 11 2HB GLN 11 -11.489 -4.586 -10.114 89 HG2 GLN 11 1HG GLN 11 -9.934 -4.790 -7.525 90 HG3 GLN 11 2HG GLN 11 -11.619 -5.294 -7.672 91 HE21 GLN 11 2HE2 GLN 11 -9.615 -7.214 -7.060 92 HE22 GLN 11 1HE2 GLN 11 -9.429 -8.254 -8.388 93 H LYS 12 H LYS 12 -10.368 -1.304 -10.195 94 HA LYS 12 HA LYS 12 -11.085 -1.410 -12.973 95 HB2 LYS 12 1HB LYS 12 -10.523 0.919 -11.114 96 HB3 LYS 12 2HB LYS 12 -11.136 1.104 -12.758 97 HG2 LYS 12 1HG LYS 12 -13.096 -0.282 -12.194 98 HG3 LYS 12 2HG LYS 12 -12.485 -0.480 -10.551 99 HD2 LYS 12 1HD LYS 12 -12.629 1.938 -10.177 100 HD3 LYS 12 2HD LYS 12 -13.172 2.179 -11.838 101 HE2 LYS 12 1HE LYS 12 -15.102 2.180 -10.328 102 HE3 LYS 12 2HE LYS 12 -15.158 0.760 -11.372 103 HZ1 LYS 12 3HZ LYS 12 -14.394 -0.613 -9.648 104 HZ2 LYS 12 1HZ LYS 12 -15.579 0.370 -8.935 105 HZ3 LYS 12 2HZ LYS 12 -13.933 0.704 -8.677 106 H LYS 13 H LYS 13 -8.173 -0.354 -11.255 107 HA LYS 13 HA LYS 13 -6.873 0.508 -13.751 108 HB2 LYS 13 1HB LYS 13 -5.764 0.299 -10.939 109 HB3 LYS 13 2HB LYS 13 -5.037 1.166 -12.290 110 HG2 LYS 13 1HG LYS 13 -7.763 1.789 -11.115 111 HG3 LYS 13 2HG LYS 13 -6.286 2.672 -10.737 112 HD2 LYS 13 1HD LYS 13 -6.086 3.005 -13.312 113 HD3 LYS 13 2HD LYS 13 -7.790 2.550 -13.351 114 HE2 LYS 13 1HE LYS 13 -7.800 4.916 -13.178 115 HE3 LYS 13 2HE LYS 13 -8.154 4.336 -11.550 116 HZ1 LYS 13 3HZ LYS 13 -5.500 4.415 -11.480 117 HZ2 LYS 13 1HZ LYS 13 -6.482 5.718 -11.016 118 HZ3 LYS 13 2HZ LYS 13 -5.795 5.687 -12.569 119 H TYR 14 H TYR 14 -7.154 -2.467 -12.056 120 HA TYR 14 HA TYR 14 -4.961 -3.584 -13.745 121 HB2 TYR 14 1HB TYR 14 -5.194 -4.025 -10.751 122 HB3 TYR 14 2HB TYR 14 -4.053 -4.841 -11.820 123 HD1 TYR 14 HD2 TYR 14 -2.502 -3.316 -13.261 124 HD2 TYR 14 HD1 TYR 14 -4.597 -1.976 -9.763 125 HE1 TYR 14 HE2 TYR 14 -0.932 -1.411 -13.045 126 HE2 TYR 14 HE1 TYR 14 -3.028 -0.069 -9.548 127 HH TYR 14 HH TYR 14 -0.304 0.184 -10.555 128 H ASP 15 H ASP 15 -7.959 -4.003 -12.032 129 HA ASP 15 HA ASP 15 -9.511 -5.759 -12.034 130 HB2 ASP 15 1HB ASP 15 -8.113 -6.246 -14.681 131 HB3 ASP 15 2HB ASP 15 -9.571 -7.093 -14.169 132 H THR 16 H THR 16 -6.934 -6.176 -10.698 133 HA THR 16 HA THR 16 -6.466 -9.095 -11.150 134 HB THR 16 HB THR 16 -4.514 -7.472 -11.147 135 HG1 THR 16 HG1 THR 16 -3.992 -9.087 -9.006 136 HG21 THR 16 3HG2 THR 16 -3.756 -6.537 -9.079 137 HG22 THR 16 1HG2 THR 16 -4.978 -7.413 -8.159 138 HG23 THR 16 2HG2 THR 16 -5.457 -6.097 -9.230 139 H LYS 17 H LYS 17 -7.036 -10.555 -9.626 140 HA LYS 17 HA LYS 17 -8.690 -9.641 -7.404 141 HB2 LYS 17 1HB LYS 17 -8.923 -12.121 -6.967 142 HB3 LYS 17 2HB LYS 17 -9.415 -11.614 -8.580 143 HG2 LYS 17 1HG LYS 17 -7.225 -12.302 -9.479 144 HG3 LYS 17 2HG LYS 17 -6.701 -12.764 -7.863 145 HD2 LYS 17 1HD LYS 17 -7.406 -14.828 -8.676 146 HD3 LYS 17 2HD LYS 17 -8.893 -14.269 -7.915 147 HE2 LYS 17 1HE LYS 17 -9.504 -15.050 -10.097 148 HE3 LYS 17 2HE LYS 17 -9.535 -13.290 -10.187 149 HZ1 LYS 17 3HZ LYS 17 -7.828 -13.254 -11.600 150 HZ2 LYS 17 1HZ LYS 17 -8.167 -14.896 -11.861 151 HZ3 LYS 17 2HZ LYS 17 -6.961 -14.446 -10.753 152 HA PRO 18 HA PRO 18 -5.461 -9.700 -4.350 153 HB2 PRO 18 1HB PRO 18 -6.896 -10.262 -2.079 154 HB3 PRO 18 2HB PRO 18 -6.959 -8.691 -2.899 155 HG2 PRO 18 1HG PRO 18 -8.873 -10.980 -3.060 156 HG3 PRO 18 2HG PRO 18 -9.204 -9.242 -2.929 157 HD2 PRO 18 1HD PRO 18 -9.353 -10.567 -5.302 158 HD3 PRO 18 2HD PRO 18 -8.853 -8.865 -5.200 159 H ASP 19 H ASP 19 -4.155 -11.138 -3.119 160 HA ASP 19 HA ASP 19 -4.989 -14.014 -3.080 161 HB2 ASP 19 1HB ASP 19 -2.380 -12.835 -4.070 162 HB3 ASP 19 2HB ASP 19 -2.562 -14.536 -3.632 163 H HIS 20 H HIS 20 -4.687 -14.924 -1.137 164 HA HIS 20 HA HIS 20 -2.738 -13.680 0.771 165 HB2 HIS 20 1HB HIS 20 -4.422 -14.182 2.576 166 HB3 HIS 20 2HB HIS 20 -4.922 -12.911 1.462 167 HD1 HIS 20 HD1 HIS 20 -6.659 -13.645 -0.443 168 HD2 HIS 20 HD2 HIS 20 -6.112 -16.407 2.631 169 HE1 HIS 20 HE1 HIS 20 -8.601 -15.266 -0.580 170 HA PRO 21 HA PRO 21 -1.876 -18.219 0.180 171 HB2 PRO 21 1HB PRO 21 0.717 -17.196 1.300 172 HB3 PRO 21 2HB PRO 21 0.436 -18.293 -0.069 173 HG2 PRO 21 1HG PRO 21 1.139 -15.774 -0.488 174 HG3 PRO 21 2HG PRO 21 -0.078 -16.555 -1.520 175 HD2 PRO 21 1HD PRO 21 -0.486 -14.582 0.710 176 HD3 PRO 21 2HD PRO 21 -1.333 -14.706 -0.851 177 H TRP 22 H TRP 22 -1.165 -16.070 2.903 178 HA TRP 22 HA TRP 22 -1.045 -18.271 4.821 179 HB2 TRP 22 1HB TRP 22 -1.153 -15.264 5.211 180 HB3 TRP 22 2HB TRP 22 -0.875 -16.442 6.496 181 HD1 TRP 22 HD1 TRP 22 1.183 -18.362 5.450 182 HE1 TRP 22 HE1 TRP 22 3.537 -17.635 4.702 183 HE3 TRP 22 HE3 TRP 22 0.334 -13.406 4.548 184 HZ2 TRP 22 HZ2 TRP 22 4.887 -15.268 3.838 185 HZ3 TRP 22 HZ3 TRP 22 2.173 -11.940 3.765 186 HH2 TRP 22 HH2 TRP 22 4.446 -12.864 3.409 187 H GLU 23 H GLU 23 -2.949 -19.321 5.088 188 HA GLU 23 HA GLU 23 -5.549 -18.091 4.954 189 HB2 GLU 23 1HB GLU 23 -6.371 -20.243 5.700 190 HB3 GLU 23 2HB GLU 23 -5.034 -20.530 4.590 191 HG2 GLU 23 1HG GLU 23 -4.382 -21.944 6.311 192 HG3 GLU 23 2HG GLU 23 -3.593 -20.464 6.848 193 H LYS 24 H LYS 24 -3.301 -18.808 7.577 194 HA LYS 24 HA LYS 24 -5.107 -18.272 9.740 195 HB2 LYS 24 1HB LYS 24 -2.083 -18.116 9.562 196 HB3 LYS 24 2HB LYS 24 -2.996 -17.978 11.066 197 HG2 LYS 24 1HG LYS 24 -3.925 -20.215 10.756 198 HG3 LYS 24 2HG LYS 24 -3.143 -20.351 9.184 199 HD2 LYS 24 1HD LYS 24 -1.699 -21.528 10.647 200 HD3 LYS 24 2HD LYS 24 -0.924 -19.960 10.434 201 HE2 LYS 24 1HE LYS 24 -1.707 -19.184 12.567 202 HE3 LYS 24 2HE LYS 24 -2.790 -20.564 12.746 203 HZ1 LYS 24 3HZ LYS 24 -1.091 -21.953 13.272 204 HZ2 LYS 24 1HZ LYS 24 -0.438 -20.509 13.878 205 HZ3 LYS 24 2HZ LYS 24 0.060 -21.095 12.363 206 H PHE 25 H PHE 25 -3.981 -16.216 7.376 207 HA PHE 25 HA PHE 25 -4.460 -13.823 9.109 208 HB2 PHE 25 1HB PHE 25 -2.193 -14.279 7.167 209 HB3 PHE 25 2HB PHE 25 -2.685 -12.668 7.696 210 HD1 PHE 25 HD2 PHE 25 -1.255 -15.900 8.769 211 HD2 PHE 25 HD1 PHE 25 -2.326 -11.920 9.981 212 HE1 PHE 25 HE2 PHE 25 0.028 -16.195 10.870 213 HE2 PHE 25 HE1 PHE 25 -1.043 -12.215 12.084 214 HZ PHE 25 HZ PHE 25 0.134 -14.353 12.528 215 HA PRO 26 HA PRO 26 -6.990 -13.871 5.162 216 HB2 PRO 26 1HB PRO 26 -9.405 -13.306 6.369 217 HB3 PRO 26 2HB PRO 26 -8.793 -14.955 6.127 218 HG2 PRO 26 1HG PRO 26 -8.743 -13.260 8.582 219 HG3 PRO 26 2HG PRO 26 -9.056 -14.998 8.417 220 HD2 PRO 26 1HD PRO 26 -6.659 -14.003 9.249 221 HD3 PRO 26 2HD PRO 26 -6.795 -15.536 8.362 222 H ASP 27 H ASP 27 -6.428 -11.699 7.780 223 HA ASP 27 HA ASP 27 -7.724 -9.390 6.542 224 HB2 ASP 27 1HB ASP 27 -5.808 -9.692 8.873 225 HB3 ASP 27 2HB ASP 27 -6.473 -8.141 8.359 226 H TYR 28 H TYR 28 -4.921 -11.111 5.913 227 HA TYR 28 HA TYR 28 -3.441 -8.720 4.899 228 HB2 TYR 28 1HB TYR 28 -2.595 -11.546 5.564 229 HB3 TYR 28 2HB TYR 28 -1.578 -10.474 4.600 230 HD1 TYR 28 HD1 TYR 28 -3.606 -10.359 7.767 231 HD2 TYR 28 HD2 TYR 28 0.001 -9.183 5.750 232 HE1 TYR 28 HE1 TYR 28 -2.803 -9.267 9.839 233 HE2 TYR 28 HE2 TYR 28 0.802 -8.088 7.825 234 HH TYR 28 HH TYR 28 -0.937 -7.142 10.190 235 H ALA 29 H ALA 29 -3.164 -8.429 2.734 236 HA ALA 29 HA ALA 29 -3.929 -10.651 0.884 237 HB1 ALA 29 3HB ALA 29 -5.179 -9.035 -0.501 238 HB2 ALA 29 1HB ALA 29 -4.873 -7.772 0.692 239 HB3 ALA 29 2HB ALA 29 -5.881 -9.157 1.112 240 H VAL 30 H VAL 30 -2.827 -10.608 -1.098 241 HA VAL 30 HA VAL 30 -0.607 -8.597 -1.311 242 HB VAL 30 HB VAL 30 -0.476 -11.413 -2.390 243 HG11 VAL 30 1HG1 VAL 30 1.890 -10.995 -2.419 244 HG12 VAL 30 2HG1 VAL 30 1.706 -9.527 -1.458 245 HG13 VAL 30 3HG1 VAL 30 1.124 -9.571 -3.123 246 HG21 VAL 30 3HG2 VAL 30 -0.881 -11.714 -0.037 247 HG22 VAL 30 1HG2 VAL 30 0.209 -10.391 0.378 248 HG23 VAL 30 2HG2 VAL 30 0.856 -11.893 -0.282 249 H PHE 31 H PHE 31 -0.680 -7.401 -3.117 250 HA PHE 31 HA PHE 31 -2.368 -8.334 -5.411 251 HB2 PHE 31 1HB PHE 31 -1.506 -5.555 -4.548 252 HB3 PHE 31 2HB PHE 31 -2.405 -5.908 -6.026 253 HD1 PHE 31 HD1 PHE 31 -4.686 -6.943 -5.882 254 HD2 PHE 31 HD2 PHE 31 -2.587 -5.537 -2.409 255 HE1 PHE 31 HE1 PHE 31 -6.801 -6.966 -4.594 256 HE2 PHE 31 HE2 PHE 31 -4.704 -5.558 -1.121 257 HZ PHE 31 HZ PHE 31 -6.810 -6.276 -2.214 258 H ARG 32 H ARG 32 -1.160 -9.111 -7.081 259 HA ARG 32 HA ARG 32 1.255 -7.617 -7.918 260 HB2 ARG 32 1HB ARG 32 2.623 -9.691 -8.027 261 HB3 ARG 32 2HB ARG 32 2.186 -9.267 -6.374 262 HG2 ARG 32 1HG ARG 32 0.364 -10.909 -6.412 263 HG3 ARG 32 2HG ARG 32 0.740 -11.309 -8.089 264 HD2 ARG 32 1HD ARG 32 1.775 -12.972 -6.635 265 HD3 ARG 32 2HD ARG 32 3.041 -11.981 -7.362 266 HE ARG 32 HE ARG 32 2.261 -10.843 -4.847 267 HH11 ARG 32 1HH2 ARG 32 3.923 -13.519 -6.268 268 HH12 ARG 32 2HH2 ARG 32 4.981 -13.745 -4.914 269 HH21 ARG 32 1HH1 ARG 32 3.634 -11.131 -3.081 270 HH22 ARG 32 2HH1 ARG 32 4.818 -12.394 -3.114 271 H HIS 33 H HIS 33 1.861 -8.081 -10.100 272 HA HIS 33 HA HIS 33 -0.405 -8.948 -11.749 273 HB2 HIS 33 1HB HIS 33 2.330 -7.810 -12.371 274 HB3 HIS 33 2HB HIS 33 1.197 -8.313 -13.628 275 HD1 HIS 33 HD1 HIS 33 2.183 -5.316 -12.189 276 HD2 HIS 33 HD2 HIS 33 -1.579 -7.048 -12.670 277 HE1 HIS 33 HE1 HIS 33 0.497 -3.431 -12.021 278 H SER 34 H SER 34 -0.591 -10.888 -12.742 279 HA SER 34 HA SER 34 1.177 -13.069 -12.107 280 HB2 SER 34 1HB SER 34 -0.890 -12.915 -14.319 281 HB3 SER 34 2HB SER 34 -0.242 -14.377 -13.581 282 HG SER 34 HG SER 34 -1.289 -12.521 -11.823 283 H ASP 35 H ASP 35 0.741 -11.042 -14.996 284 HA ASP 35 HA ASP 35 2.920 -12.475 -16.407 285 HB2 ASP 35 1HB ASP 35 1.031 -10.243 -17.193 286 HB3 ASP 35 2HB ASP 35 2.342 -10.797 -18.233 287 H ASN 36 H ASN 36 2.188 -9.234 -15.132 288 HA ASN 36 HA ASN 36 4.971 -8.370 -15.706 289 HB2 ASN 36 1HB ASN 36 2.723 -6.757 -14.462 290 HB3 ASN 36 2HB ASN 36 4.216 -6.146 -15.175 291 HD21 ASN 36 2HD2 ASN 36 2.608 -4.879 -16.591 292 HD22 ASN 36 1HD2 ASN 36 2.025 -5.647 -17.986 293 H ASP 37 H ASP 37 4.372 -10.423 -13.698 294 HA ASP 37 HA ASP 37 4.279 -9.586 -11.052 295 HB2 ASP 37 1HB ASP 37 5.562 -11.610 -10.491 296 HB3 ASP 37 2HB ASP 37 4.351 -11.953 -11.724 297 H LYS 38 H LYS 38 5.338 -7.509 -11.008 298 HA LYS 38 HA LYS 38 8.199 -7.746 -10.328 299 HB2 LYS 38 1HB LYS 38 7.420 -6.778 -12.856 300 HB3 LYS 38 2HB LYS 38 7.700 -5.306 -11.933 301 HG2 LYS 38 1HG LYS 38 9.688 -7.594 -12.130 302 HG3 LYS 38 2HG LYS 38 9.741 -6.137 -13.122 303 HD2 LYS 38 1HD LYS 38 9.920 -4.753 -11.090 304 HD3 LYS 38 2HD LYS 38 9.877 -6.202 -10.090 305 HE2 LYS 38 1HE LYS 38 11.929 -7.024 -11.183 306 HE3 LYS 38 2HE LYS 38 11.979 -5.567 -12.175 307 HZ1 LYS 38 3HZ LYS 38 12.196 -4.233 -10.208 308 HZ2 LYS 38 1HZ LYS 38 13.407 -5.421 -10.203 309 HZ3 LYS 38 2HZ LYS 38 12.041 -5.598 -9.208 310 H TRP 39 H TRP 39 5.110 -6.185 -10.151 311 HA TRP 39 HA TRP 39 6.129 -4.197 -8.170 312 HB2 TRP 39 1HB TRP 39 4.146 -2.966 -8.541 313 HB3 TRP 39 2HB TRP 39 4.582 -3.554 -10.140 314 HD1 TRP 39 HD1 TRP 39 3.383 -6.150 -10.630 315 HE1 TRP 39 HE1 TRP 39 0.895 -6.733 -10.298 316 HE3 TRP 39 HE3 TRP 39 2.029 -2.430 -7.407 317 HZ2 TRP 39 HZ2 TRP 39 -1.373 -5.748 -8.860 318 HZ3 TRP 39 HZ3 TRP 39 -0.300 -2.274 -6.574 319 HH2 TRP 39 HH2 TRP 39 -2.000 -3.927 -7.296 320 H TYR 40 H TYR 40 5.819 -4.557 -6.049 321 HA TYR 40 HA TYR 40 3.910 -6.718 -5.228 322 HB2 TYR 40 1HB TYR 40 6.450 -5.708 -3.920 323 HB3 TYR 40 2HB TYR 40 5.350 -6.883 -3.194 324 HD1 TYR 40 HD1 TYR 40 5.095 -9.128 -4.132 325 HD2 TYR 40 HD2 TYR 40 7.805 -6.285 -5.870 326 HE1 TYR 40 HE1 TYR 40 6.156 -10.943 -5.447 327 HE2 TYR 40 HE2 TYR 40 8.868 -8.100 -7.184 328 HH TYR 40 HH TYR 40 8.862 -10.259 -7.671 329 H ALA 41 H ALA 41 2.231 -6.114 -4.004 330 HA ALA 41 HA ALA 41 2.400 -3.739 -2.266 331 HB1 ALA 41 3HB ALA 41 0.410 -2.688 -3.218 332 HB2 ALA 41 1HB ALA 41 0.254 -3.987 -4.402 333 HB3 ALA 41 2HB ALA 41 1.621 -2.872 -4.488 334 H LEU 42 H LEU 42 1.548 -4.419 -0.375 335 HA LEU 42 HA LEU 42 -0.650 -6.464 -0.447 336 HB2 LEU 42 1HB LEU 42 0.286 -7.111 1.853 337 HB3 LEU 42 2HB LEU 42 1.229 -7.601 0.450 338 HG LEU 42 HG LEU 42 1.858 -4.908 1.623 339 HD11 LEU 42 1HD1 LEU 42 2.683 -7.517 2.934 340 HD12 LEU 42 2HD1 LEU 42 1.648 -6.276 3.643 341 HD13 LEU 42 3HD1 LEU 42 3.348 -5.929 3.318 342 HD21 LEU 42 3HD2 LEU 42 4.021 -5.350 0.801 343 HD22 LEU 42 1HD2 LEU 42 2.987 -6.125 -0.396 344 HD23 LEU 42 2HD2 LEU 42 3.786 -7.096 0.835 345 H LEU 43 H LEU 43 -2.308 -6.215 1.028 346 HA LEU 43 HA LEU 43 -2.420 -3.564 2.426 347 HB2 LEU 43 1HB LEU 43 -4.024 -3.913 0.516 348 HB3 LEU 43 2HB LEU 43 -4.733 -5.253 1.409 349 HG LEU 43 HG LEU 43 -4.490 -2.688 2.940 350 HD11 LEU 43 1HD1 LEU 43 -5.191 -1.905 0.678 351 HD12 LEU 43 2HD1 LEU 43 -6.428 -1.660 1.903 352 HD13 LEU 43 3HD1 LEU 43 -6.576 -2.994 0.760 353 HD21 LEU 43 3HD2 LEU 43 -6.451 -3.436 3.982 354 HD22 LEU 43 1HD2 LEU 43 -5.648 -4.953 3.596 355 HD23 LEU 43 2HD2 LEU 43 -6.964 -4.378 2.583 356 H MET 44 H MET 44 -2.504 -3.711 4.615 357 HA MET 44 HA MET 44 -3.935 -5.927 5.893 358 HB2 MET 44 1HB MET 44 -1.752 -6.379 7.318 359 HB3 MET 44 2HB MET 44 -1.974 -7.177 5.768 360 HG2 MET 44 1HG MET 44 0.287 -6.240 5.941 361 HG3 MET 44 2HG MET 44 -0.617 -5.439 4.662 362 HE1 MET 44 3HE MET 44 2.010 -4.643 6.264 363 HE2 MET 44 1HE MET 44 1.852 -2.899 6.515 364 HE3 MET 44 2HE MET 44 1.465 -3.606 4.949 365 H ASP 45 H ASP 45 -4.042 -5.647 8.244 366 HA ASP 45 HA ASP 45 -3.953 -2.752 8.965 367 HB2 ASP 45 1HB ASP 45 -5.380 -5.132 10.191 368 HB3 ASP 45 2HB ASP 45 -5.403 -3.504 10.874 369 H ILE 46 H ILE 46 -2.770 -2.041 10.741 370 HA ILE 46 HA ILE 46 -1.411 -4.016 12.430 371 HB ILE 46 HB ILE 46 0.813 -2.926 12.086 372 HG12 ILE 46 1HG1 ILE 46 -0.519 -1.724 9.639 373 HG13 ILE 46 2HG1 ILE 46 -0.161 -0.809 11.103 374 HG21 ILE 46 1HG2 ILE 46 0.029 -5.051 10.924 375 HG22 ILE 46 2HG2 ILE 46 1.326 -4.178 10.108 376 HG23 ILE 46 3HG2 ILE 46 -0.332 -4.049 9.518 377 HD11 ILE 46 3HD1 ILE 46 2.261 -1.613 10.833 378 HD12 ILE 46 1HD1 ILE 46 1.695 -0.423 9.664 379 HD13 ILE 46 2HD1 ILE 46 1.796 -2.125 9.212 380 HA PRO 47 HA PRO 47 -2.326 -1.065 15.618 381 HB2 PRO 47 1HB PRO 47 0.472 -1.419 16.616 382 HB3 PRO 47 2HB PRO 47 -1.063 -1.618 17.477 383 HG2 PRO 47 1HG PRO 47 0.444 -3.709 16.649 384 HG3 PRO 47 2HG PRO 47 -1.317 -3.783 16.798 385 HD2 PRO 47 1HD PRO 47 0.343 -3.710 14.339 386 HD3 PRO 47 2HD PRO 47 -1.319 -4.294 14.580 387 H ALA 48 H ALA 48 -2.088 1.136 15.962 388 HA ALA 48 HA ALA 48 -0.649 2.706 14.061 389 HB1 ALA 48 3HB ALA 48 -2.552 3.737 14.964 390 HB2 ALA 48 1HB ALA 48 -1.235 4.585 15.774 391 HB3 ALA 48 2HB ALA 48 -2.114 3.311 16.617 392 H GLU 49 H GLU 49 0.256 1.346 17.110 393 HA GLU 49 HA GLU 49 2.431 3.198 17.653 394 HB2 GLU 49 1HB GLU 49 3.103 1.413 19.324 395 HB3 GLU 49 2HB GLU 49 1.468 2.045 19.527 396 HG2 GLU 49 1HG GLU 49 0.523 0.119 18.389 397 HG3 GLU 49 2HG GLU 49 2.131 -0.482 17.990 398 H LYS 50 H LYS 50 2.033 0.486 15.572 399 HA LYS 50 HA LYS 50 4.888 -0.206 15.530 400 HB2 LYS 50 1HB LYS 50 2.365 -1.332 14.530 401 HB3 LYS 50 2HB LYS 50 3.628 -1.421 13.306 402 HG2 LYS 50 1HG LYS 50 3.743 -3.440 14.594 403 HG3 LYS 50 2HG LYS 50 5.125 -2.460 15.073 404 HD2 LYS 50 1HD LYS 50 3.912 -1.676 17.053 405 HD3 LYS 50 2HD LYS 50 2.490 -2.591 16.556 406 HE2 LYS 50 1HE LYS 50 3.774 -4.687 16.719 407 HE3 LYS 50 2HE LYS 50 5.199 -3.774 17.216 408 HZ1 LYS 50 3HZ LYS 50 3.840 -2.912 19.092 409 HZ2 LYS 50 1HZ LYS 50 4.143 -4.579 19.164 410 HZ3 LYS 50 2HZ LYS 50 2.621 -4.014 18.661 411 H ILE 51 H ILE 51 2.976 2.198 14.094 412 HA ILE 51 HA ILE 51 4.820 2.420 11.746 413 HB ILE 51 HB ILE 51 3.108 4.147 10.984 414 HG12 ILE 51 1HG1 ILE 51 1.465 2.840 13.168 415 HG13 ILE 51 2HG1 ILE 51 2.115 4.475 13.267 416 HG21 ILE 51 1HG2 ILE 51 2.133 1.308 11.432 417 HG22 ILE 51 2HG2 ILE 51 3.228 1.803 10.142 418 HG23 ILE 51 3HG2 ILE 51 1.573 2.413 10.178 419 HD11 ILE 51 3HD1 ILE 51 0.810 5.188 11.363 420 HD12 ILE 51 1HD1 ILE 51 -0.283 4.366 12.472 421 HD13 ILE 51 2HD1 ILE 51 0.290 3.538 11.030 422 H GLY 52 H GLY 52 4.732 3.406 14.850 423 HA2 GLY 52 1HA GLY 52 6.384 4.940 15.721 424 HA3 GLY 52 2HA GLY 52 6.318 5.846 14.211 425 H ILE 53 H ILE 53 3.157 5.360 14.752 426 HA ILE 53 HA ILE 53 2.858 8.033 15.940 427 HB ILE 53 HB ILE 53 0.834 6.036 14.901 428 HG12 ILE 53 1HG1 ILE 53 1.766 8.725 13.841 429 HG13 ILE 53 2HG1 ILE 53 2.355 7.171 13.258 430 HG21 ILE 53 1HG2 ILE 53 -0.721 8.069 15.059 431 HG22 ILE 53 2HG2 ILE 53 0.492 8.789 16.115 432 HG23 ILE 53 3HG2 ILE 53 -0.311 7.289 16.586 433 HD11 ILE 53 3HD1 ILE 53 0.658 7.653 11.727 434 HD12 ILE 53 1HD1 ILE 53 -0.372 8.394 12.948 435 HD13 ILE 53 2HD1 ILE 53 -0.191 6.644 12.893 436 H ASN 54 H ASN 54 2.398 8.447 18.020 437 HA ASN 54 HA ASN 54 2.420 6.376 20.004 438 HB2 ASN 54 1HB ASN 54 1.686 9.311 20.076 439 HB3 ASN 54 2HB ASN 54 1.636 8.295 21.518 440 HD21 ASN 54 2HD2 ASN 54 3.978 6.649 20.760 441 HD22 ASN 54 1HD2 ASN 54 5.340 7.646 20.913 442 H GLY 55 H GLY 55 0.732 4.929 19.344 443 HA2 GLY 55 1HA GLY 55 -1.790 5.386 20.609 444 HA3 GLY 55 2HA GLY 55 -1.962 5.621 18.871 445 H ASP 56 H ASP 56 -2.754 3.418 20.930 446 HA ASP 56 HA ASP 56 -1.496 1.052 19.636 447 HB2 ASP 56 1HB ASP 56 -3.344 1.363 22.025 448 HB3 ASP 56 2HB ASP 56 -2.785 -0.194 21.412 449 H LYS 57 H LYS 57 -3.785 3.050 18.685 450 HA LYS 57 HA LYS 57 -6.065 1.295 18.343 451 HB2 LYS 57 1HB LYS 57 -6.925 3.080 16.857 452 HB3 LYS 57 2HB LYS 57 -6.366 3.717 18.401 453 HG2 LYS 57 1HG LYS 57 -4.255 4.414 17.387 454 HG3 LYS 57 2HG LYS 57 -4.721 3.690 15.852 455 HD2 LYS 57 1HD LYS 57 -5.216 6.000 15.604 456 HD3 LYS 57 2HD LYS 57 -6.769 5.223 15.904 457 HE2 LYS 57 1HE LYS 57 -6.818 5.971 18.170 458 HE3 LYS 57 2HE LYS 57 -5.116 6.426 18.138 459 HZ1 LYS 57 3HZ LYS 57 -7.408 7.757 16.842 460 HZ2 LYS 57 1HZ LYS 57 -5.827 8.002 16.276 461 HZ3 LYS 57 2HZ LYS 57 -6.232 8.422 17.872 462 H ARG 58 H ARG 58 -6.716 0.183 16.505 463 HA ARG 58 HA ARG 58 -4.590 -0.740 14.750 464 HB2 ARG 58 1HB ARG 58 -6.412 -2.226 15.539 465 HB3 ARG 58 2HB ARG 58 -7.579 -1.251 14.644 466 HG2 ARG 58 1HG ARG 58 -6.451 -1.792 12.535 467 HG3 ARG 58 2HG ARG 58 -5.226 -2.712 13.408 468 HD2 ARG 58 1HD ARG 58 -6.915 -4.240 12.500 469 HD3 ARG 58 2HD ARG 58 -7.000 -4.227 14.258 470 HE ARG 58 HE ARG 58 -9.116 -3.155 14.122 471 HH11 ARG 58 1HH2 ARG 58 -7.497 -3.310 11.072 472 HH12 ARG 58 2HH2 ARG 58 -8.891 -2.827 10.164 473 HH21 ARG 58 1HH1 ARG 58 -10.936 -2.534 12.948 474 HH22 ARG 58 2HH1 ARG 58 -10.835 -2.388 11.226 475 H VAL 59 H VAL 59 -4.196 -0.123 12.644 476 HA VAL 59 HA VAL 59 -6.127 1.763 11.343 477 HB VAL 59 HB VAL 59 -4.162 3.063 10.525 478 HG11 VAL 59 1HG1 VAL 59 -5.522 3.640 12.597 479 HG12 VAL 59 2HG1 VAL 59 -3.897 4.321 12.556 480 HG13 VAL 59 3HG1 VAL 59 -4.233 2.902 13.547 481 HG21 VAL 59 3HG2 VAL 59 -1.991 2.735 11.610 482 HG22 VAL 59 1HG2 VAL 59 -2.492 1.223 10.854 483 HG23 VAL 59 2HG2 VAL 59 -2.654 1.434 12.597 484 H ASP 60 H ASP 60 -5.819 1.905 8.989 485 HA ASP 60 HA ASP 60 -4.968 -0.743 7.891 486 HB2 ASP 60 1HB ASP 60 -7.299 0.182 7.494 487 HB3 ASP 60 2HB ASP 60 -6.546 1.436 6.507 488 H VAL 61 H VAL 61 -3.122 -0.861 6.700 489 HA VAL 61 HA VAL 61 -2.072 1.636 5.423 490 HB VAL 61 HB VAL 61 0.149 1.177 6.183 491 HG11 VAL 61 1HG1 VAL 61 -1.592 2.122 7.845 492 HG12 VAL 61 2HG1 VAL 61 -0.082 1.513 8.517 493 HG13 VAL 61 3HG1 VAL 61 -1.546 0.531 8.603 494 HG21 VAL 61 3HG2 VAL 61 -1.036 -1.462 7.075 495 HG22 VAL 61 1HG2 VAL 61 0.503 -0.875 7.705 496 HG23 VAL 61 2HG2 VAL 61 0.321 -1.192 5.982 497 H ILE 62 H ILE 62 -0.633 1.245 3.636 498 HA ILE 62 HA ILE 62 -0.762 -1.495 2.455 499 HB ILE 62 HB ILE 62 -1.224 -0.461 0.243 500 HG12 ILE 62 1HG1 ILE 62 -1.815 2.054 1.837 501 HG13 ILE 62 2HG1 ILE 62 -0.353 1.828 0.877 502 HG21 ILE 62 1HG2 ILE 62 -3.059 -1.403 1.530 503 HG22 ILE 62 2HG2 ILE 62 -3.615 0.063 0.724 504 HG23 ILE 62 3HG2 ILE 62 -3.226 0.096 2.443 505 HD11 ILE 62 3HD1 ILE 62 -2.155 3.057 -0.352 506 HD12 ILE 62 1HD1 ILE 62 -3.161 1.613 -0.238 507 HD13 ILE 62 2HD1 ILE 62 -1.653 1.567 -1.151 508 H ASP 63 H ASP 63 0.971 -1.948 1.000 509 HA ASP 63 HA ASP 63 3.295 -0.066 1.261 510 HB2 ASP 63 1HB ASP 63 3.415 -3.060 0.860 511 HB3 ASP 63 2HB ASP 63 4.749 -1.970 1.236 512 H LEU 64 H LEU 64 4.513 0.356 -0.562 513 HA LEU 64 HA LEU 64 3.684 -0.898 -3.127 514 HB2 LEU 64 1HB LEU 64 3.907 1.535 -4.096 515 HB3 LEU 64 2HB LEU 64 2.395 0.996 -3.377 516 HG LEU 64 HG LEU 64 3.477 1.986 -1.134 517 HD11 LEU 64 1HD1 LEU 64 4.812 4.000 -1.649 518 HD12 LEU 64 2HD1 LEU 64 4.869 3.521 -3.342 519 HD13 LEU 64 3HD1 LEU 64 5.649 2.521 -2.112 520 HD21 LEU 64 3HD2 LEU 64 1.400 2.752 -2.227 521 HD22 LEU 64 1HD2 LEU 64 2.364 3.740 -3.326 522 HD23 LEU 64 2HD2 LEU 64 2.355 4.097 -1.598 523 H LYS 65 H LYS 65 5.315 -0.617 -4.825 524 HA LYS 65 HA LYS 65 8.022 -0.660 -3.670 525 HB2 LYS 65 1HB LYS 65 7.289 -2.381 -5.300 526 HB3 LYS 65 2HB LYS 65 7.106 -1.122 -6.522 527 HG2 LYS 65 1HG LYS 65 9.493 -0.570 -6.344 528 HG3 LYS 65 2HG LYS 65 9.691 -1.780 -5.076 529 HD2 LYS 65 1HD LYS 65 9.005 -3.548 -6.656 530 HD3 LYS 65 2HD LYS 65 8.811 -2.336 -7.924 531 HE2 LYS 65 1HE LYS 65 10.979 -3.237 -8.285 532 HE3 LYS 65 2HE LYS 65 11.264 -1.705 -7.461 533 HZ1 LYS 65 3HZ LYS 65 11.139 -4.366 -6.146 534 HZ2 LYS 65 1HZ LYS 65 11.449 -2.888 -5.373 535 HZ3 LYS 65 2HZ LYS 65 12.563 -3.507 -6.498 536 H VAL 66 H VAL 66 9.594 0.861 -4.001 537 HA VAL 66 HA VAL 66 9.155 3.001 -6.015 538 HB VAL 66 HB VAL 66 9.792 4.728 -4.302 539 HG11 VAL 66 1HG1 VAL 66 7.273 3.197 -3.618 540 HG12 VAL 66 2HG1 VAL 66 7.427 4.233 -5.033 541 HG13 VAL 66 3HG1 VAL 66 7.554 4.924 -3.417 542 HG21 VAL 66 3HG2 VAL 66 10.808 3.211 -2.659 543 HG22 VAL 66 1HG2 VAL 66 9.254 2.417 -2.409 544 HG23 VAL 66 2HG2 VAL 66 9.474 4.095 -1.919 545 H GLN 67 H GLN 67 11.144 4.305 -6.327 546 HA GLN 67 HA GLN 67 13.467 2.559 -6.394 547 HB2 GLN 67 1HB GLN 67 12.789 5.327 -7.352 548 HB3 GLN 67 2HB GLN 67 14.490 4.876 -7.261 549 HG2 GLN 67 1HG GLN 67 14.159 3.014 -8.745 550 HG3 GLN 67 2HG GLN 67 12.407 3.200 -8.677 551 HE21 GLN 67 2HE2 GLN 67 14.041 3.327 -11.115 552 HE22 GLN 67 1HE2 GLN 67 13.828 4.878 -11.768 553 HA PRO 68 HA PRO 68 15.412 3.847 -2.619 554 HB2 PRO 68 1HB PRO 68 18.084 3.901 -3.390 555 HB3 PRO 68 2HB PRO 68 17.184 2.421 -3.012 556 HG2 PRO 68 1HG PRO 68 17.851 3.602 -5.666 557 HG3 PRO 68 2HG PRO 68 17.793 1.901 -5.167 558 HD2 PRO 68 1HD PRO 68 15.800 3.071 -6.622 559 HD3 PRO 68 2HD PRO 68 15.495 1.747 -5.480 560 H GLU 69 H GLU 69 15.872 5.681 -5.539 561 HA GLU 69 HA GLU 69 17.104 7.974 -4.145 562 HB2 GLU 69 1HB GLU 69 16.114 7.648 -6.998 563 HB3 GLU 69 2HB GLU 69 17.008 9.038 -6.381 564 HG2 GLU 69 1HG GLU 69 18.898 7.544 -5.789 565 HG3 GLU 69 2HG GLU 69 18.005 6.175 -6.455 566 H LEU 70 H LEU 70 13.963 6.877 -5.211 567 HA LEU 70 HA LEU 70 12.732 9.534 -4.676 568 HB2 LEU 70 1HB LEU 70 11.469 6.959 -5.673 569 HB3 LEU 70 2HB LEU 70 10.712 8.550 -5.632 570 HG LEU 70 HG LEU 70 13.187 7.833 -7.232 571 HD11 LEU 70 1HD1 LEU 70 10.387 8.462 -8.206 572 HD12 LEU 70 2HD1 LEU 70 11.017 6.824 -8.024 573 HD13 LEU 70 3HD1 LEU 70 11.759 7.932 -9.179 574 HD21 LEU 70 3HD2 LEU 70 12.481 10.129 -8.316 575 HD22 LEU 70 1HD2 LEU 70 13.401 10.131 -6.814 576 HD23 LEU 70 2HD2 LEU 70 11.657 10.395 -6.781 577 H VAL 71 H VAL 71 13.727 7.082 -2.811 578 HA VAL 71 HA VAL 71 11.429 6.332 -1.290 579 HB VAL 71 HB VAL 71 13.570 5.134 -1.122 580 HG11 VAL 71 1HG1 VAL 71 15.531 6.096 -0.222 581 HG12 VAL 71 2HG1 VAL 71 14.652 7.456 0.479 582 HG13 VAL 71 3HG1 VAL 71 14.893 7.367 -1.265 583 HG21 VAL 71 3HG2 VAL 71 13.015 6.404 1.566 584 HG22 VAL 71 1HG2 VAL 71 13.501 4.743 1.222 585 HG23 VAL 71 2HG2 VAL 71 11.876 5.291 0.814 586 H GLY 72 H GLY 72 13.633 9.091 -1.064 587 HA2 GLY 72 1HA GLY 72 12.525 10.068 1.428 588 HA3 GLY 72 2HA GLY 72 13.573 10.977 0.338 589 H SER 73 H SER 73 11.575 10.303 -1.906 590 HA SER 73 HA SER 73 10.144 12.767 -1.848 591 HB2 SER 73 1HB SER 73 9.497 10.257 -3.425 592 HB3 SER 73 2HB SER 73 8.941 11.886 -3.795 593 HG SER 73 HG SER 73 11.114 10.778 -4.644 594 H LEU 74 H LEU 74 8.767 9.464 -1.552 595 HA LEU 74 HA LEU 74 6.282 10.597 -0.478 596 HB2 LEU 74 1HB LEU 74 5.376 8.387 -0.628 597 HB3 LEU 74 2HB LEU 74 6.334 8.644 -2.078 598 HG LEU 74 HG LEU 74 7.356 7.181 0.389 599 HD11 LEU 74 1HD1 LEU 74 6.053 6.177 -2.140 600 HD12 LEU 74 2HD1 LEU 74 5.619 5.825 -0.468 601 HD13 LEU 74 3HD1 LEU 74 7.102 5.160 -1.150 602 HD21 LEU 74 3HD2 LEU 74 8.448 7.717 -2.379 603 HD22 LEU 74 1HD2 LEU 74 8.987 6.324 -1.448 604 HD23 LEU 74 2HD2 LEU 74 9.237 7.942 -0.818 605 H ARG 75 H ARG 75 9.127 8.963 0.788 606 HA ARG 75 HA ARG 75 7.982 8.213 3.311 607 HB2 ARG 75 1HB ARG 75 10.114 7.289 2.417 608 HB3 ARG 75 2HB ARG 75 10.879 8.855 2.696 609 HG2 ARG 75 1HG ARG 75 10.391 8.691 5.095 610 HG3 ARG 75 2HG ARG 75 9.572 7.151 4.839 611 HD2 ARG 75 1HD ARG 75 11.718 6.238 3.906 612 HD3 ARG 75 2HD ARG 75 12.509 7.746 4.362 613 HE ARG 75 HE ARG 75 11.594 5.636 6.205 614 HH11 ARG 75 1HH2 ARG 75 12.665 8.887 5.720 615 HH12 ARG 75 2HH2 ARG 75 13.179 9.094 7.361 616 HH21 ARG 75 1HH1 ARG 75 12.255 5.901 8.341 617 HH22 ARG 75 2HH1 ARG 75 12.947 7.407 8.843 618 H LYS 76 H LYS 76 9.076 11.260 2.068 619 HA LYS 76 HA LYS 76 9.346 12.445 4.765 620 HB2 LYS 76 1HB LYS 76 10.072 14.425 3.642 621 HB3 LYS 76 2HB LYS 76 10.808 13.078 2.784 622 HG2 LYS 76 1HG LYS 76 9.944 14.049 0.894 623 HG3 LYS 76 2HG LYS 76 8.414 13.356 1.411 624 HD2 LYS 76 1HD LYS 76 7.893 15.450 2.631 625 HD3 LYS 76 2HD LYS 76 9.421 16.135 2.080 626 HE2 LYS 76 1HE LYS 76 7.246 15.131 0.226 627 HE3 LYS 76 2HE LYS 76 7.465 16.823 0.669 628 HZ1 LYS 76 3HZ LYS 76 8.636 16.615 -1.301 629 HZ2 LYS 76 1HZ LYS 76 9.247 15.082 -0.910 630 HZ3 LYS 76 2HZ LYS 76 9.854 16.462 -0.127 631 H LYS 77 H LYS 77 6.848 11.735 2.618 632 HA LYS 77 HA LYS 77 5.234 14.093 3.044 633 HB2 LYS 77 1HB LYS 77 4.650 11.327 1.987 634 HB3 LYS 77 2HB LYS 77 3.381 12.533 2.166 635 HG2 LYS 77 1HG LYS 77 5.918 13.256 0.698 636 HG3 LYS 77 2HG LYS 77 4.672 12.323 -0.126 637 HD2 LYS 77 1HD LYS 77 3.005 14.101 0.504 638 HD3 LYS 77 2HD LYS 77 4.343 15.061 1.135 639 HE2 LYS 77 1HE LYS 77 4.041 15.847 -1.082 640 HE3 LYS 77 2HE LYS 77 5.421 14.755 -1.188 641 HZ1 LYS 77 3HZ LYS 77 3.353 14.573 -2.800 642 HZ2 LYS 77 1HZ LYS 77 2.772 13.592 -1.544 643 HZ3 LYS 77 2HZ LYS 77 4.240 13.210 -2.309 644 HA PRO 78 HA PRO 78 3.590 13.063 7.042 645 HB2 PRO 78 1HB PRO 78 1.137 14.300 6.935 646 HB3 PRO 78 2HB PRO 78 2.667 15.179 7.118 647 HG2 PRO 78 1HG PRO 78 1.030 14.731 4.659 648 HG3 PRO 78 2HG PRO 78 1.868 16.197 5.205 649 HD2 PRO 78 1HD PRO 78 2.906 14.554 3.286 650 HD3 PRO 78 2HD PRO 78 3.933 15.478 4.406 651 H GLY 79 H GLY 79 2.417 11.422 7.985 652 HA2 GLY 79 1HA GLY 79 0.703 9.789 8.207 653 HA3 GLY 79 2HA GLY 79 0.097 10.239 6.613 654 H ILE 80 H ILE 80 3.003 10.037 5.633 655 HA ILE 80 HA ILE 80 2.844 7.166 4.964 656 HB ILE 80 HB ILE 80 4.677 9.385 4.007 657 HG12 ILE 80 1HG1 ILE 80 3.363 8.951 1.867 658 HG13 ILE 80 2HG1 ILE 80 2.275 7.956 2.828 659 HG21 ILE 80 1HG2 ILE 80 4.474 6.462 3.246 660 HG22 ILE 80 2HG2 ILE 80 5.897 7.322 3.828 661 HG23 ILE 80 3HG2 ILE 80 5.253 7.668 2.224 662 HD11 ILE 80 3HD1 ILE 80 1.399 9.773 3.972 663 HD12 ILE 80 1HD1 ILE 80 1.743 10.516 2.417 664 HD13 ILE 80 2HD1 ILE 80 2.849 10.753 3.765 665 H TYR 81 H TYR 81 3.980 5.675 6.060 666 HA TYR 81 HA TYR 81 6.414 6.545 7.571 667 HB2 TYR 81 1HB TYR 81 4.166 4.683 8.343 668 HB3 TYR 81 2HB TYR 81 5.744 4.581 9.124 669 HD1 TYR 81 HD2 TYR 81 6.604 6.439 10.489 670 HD2 TYR 81 HD1 TYR 81 2.714 6.606 8.675 671 HE1 TYR 81 HE2 TYR 81 6.010 8.361 11.939 672 HE2 TYR 81 HE1 TYR 81 2.120 8.528 10.122 673 HH TYR 81 HH TYR 81 4.150 10.415 11.591 674 HA PRO 82 HA PRO 82 8.541 3.399 5.285 675 HB2 PRO 82 1HB PRO 82 10.499 2.683 7.091 676 HB3 PRO 82 2HB PRO 82 10.527 4.192 6.160 677 HG2 PRO 82 1HG PRO 82 9.680 3.731 8.987 678 HG3 PRO 82 2HG PRO 82 10.612 5.072 8.291 679 HD2 PRO 82 1HD PRO 82 7.954 5.292 8.870 680 HD3 PRO 82 2HD PRO 82 8.717 6.179 7.534 681 H ALA 83 H ALA 83 8.948 1.074 5.227 682 HA ALA 83 HA ALA 83 6.907 -0.487 6.501 683 HB1 ALA 83 3HB ALA 83 8.369 -2.427 5.598 684 HB2 ALA 83 1HB ALA 83 9.380 -1.156 4.909 685 HB3 ALA 83 2HB ALA 83 7.692 -1.300 4.424 686 H TYR 84 H TYR 84 7.691 0.485 8.721 687 HA TYR 84 HA TYR 84 8.693 0.178 10.800 688 HB2 TYR 84 1HB TYR 84 9.147 -2.720 10.580 689 HB3 TYR 84 2HB TYR 84 8.019 -1.846 11.600 690 HD1 TYR 84 HD2 TYR 84 5.949 -0.788 10.310 691 HD2 TYR 84 HD1 TYR 84 8.275 -4.119 8.916 692 HE1 TYR 84 HE2 TYR 84 4.059 -1.508 8.877 693 HE2 TYR 84 HE1 TYR 84 6.383 -4.840 7.483 694 HH TYR 84 HH TYR 84 3.854 -2.916 6.675 695 H HIS 85 H HIS 85 10.387 -2.519 9.272 696 HA HIS 85 HA HIS 85 12.848 -1.155 8.734 697 HB2 HIS 85 1HB HIS 85 12.795 -1.031 11.265 698 HB3 HIS 85 2HB HIS 85 12.821 -2.793 11.291 699 HD1 HIS 85 HD1 HIS 85 14.990 -3.974 10.506 700 HD2 HIS 85 HD2 HIS 85 15.248 0.186 10.516 701 HE1 HIS 85 HE1 HIS 85 17.443 -3.410 10.235 702 H MET 86 H MET 86 10.799 -3.824 8.836 703 HA MET 86 HA MET 86 12.613 -6.000 8.459 704 HB2 MET 86 1HB MET 86 9.784 -5.628 7.425 705 HB3 MET 86 2HB MET 86 10.663 -7.157 7.435 706 HG2 MET 86 1HG MET 86 10.874 -7.012 9.898 707 HG3 MET 86 2HG MET 86 9.971 -5.497 9.880 708 HE1 MET 86 3HE MET 86 9.103 -7.488 11.737 709 HE2 MET 86 1HE MET 86 7.398 -7.865 11.447 710 HE3 MET 86 2HE MET 86 7.956 -6.193 11.405 711 H ASN 87 H ASN 87 11.070 -3.771 6.147 712 HA ASN 87 HA ASN 87 12.905 -4.817 4.003 713 HB2 ASN 87 1HB ASN 87 10.156 -3.549 3.734 714 HB3 ASN 87 2HB ASN 87 11.178 -4.071 2.394 715 HD21 ASN 87 2HD2 ASN 87 11.968 -6.538 2.756 716 HD22 ASN 87 1HD2 ASN 87 10.739 -7.610 3.227 717 H LYS 88 H LYS 88 10.872 -1.922 4.275 718 HA LYS 88 HA LYS 88 11.365 0.337 4.001 719 HB2 LYS 88 1HB LYS 88 12.693 -0.158 6.107 720 HB3 LYS 88 2HB LYS 88 14.110 -0.353 5.073 721 HG2 LYS 88 1HG LYS 88 13.874 1.928 4.239 722 HG3 LYS 88 2HG LYS 88 12.376 2.138 5.147 723 HD2 LYS 88 1HD LYS 88 13.621 1.807 7.261 724 HD3 LYS 88 2HD LYS 88 15.118 1.632 6.345 725 HE2 LYS 88 1HE LYS 88 14.861 3.912 5.459 726 HE3 LYS 88 2HE LYS 88 13.342 4.092 6.338 727 HZ1 LYS 88 3HZ LYS 88 15.350 3.215 8.105 728 HZ2 LYS 88 1HZ LYS 88 14.462 4.659 8.144 729 HZ3 LYS 88 2HZ LYS 88 15.916 4.581 7.269 730 H GLU 89 H GLU 89 12.371 1.759 2.554 731 HA GLU 89 HA GLU 89 13.591 2.456 0.699 732 HB2 GLU 89 1HB GLU 89 15.426 0.947 1.880 733 HB3 GLU 89 2HB GLU 89 15.060 -0.180 0.573 734 HG2 GLU 89 1HG GLU 89 15.491 1.590 -1.082 735 HG3 GLU 89 2HG GLU 89 15.870 2.712 0.225 736 H HIS 90 H HIS 90 13.312 -1.090 0.323 737 HA HIS 90 HA HIS 90 12.476 -0.921 -2.409 738 HB2 HIS 90 1HB HIS 90 12.243 -3.091 -0.312 739 HB3 HIS 90 2HB HIS 90 11.710 -3.319 -1.977 740 HD1 HIS 90 HD1 HIS 90 14.828 -2.617 0.051 741 HD2 HIS 90 HD2 HIS 90 13.777 -3.744 -3.821 742 HE1 HIS 90 HE1 HIS 90 16.983 -3.246 -1.121 743 H TRP 91 H TRP 91 10.602 -1.632 0.565 744 HA TRP 91 HA TRP 91 8.121 -0.753 -0.884 745 HB2 TRP 91 1HB TRP 91 8.219 -2.647 1.471 746 HB3 TRP 91 2HB TRP 91 6.880 -2.354 0.363 747 HD1 TRP 91 HD1 TRP 91 8.595 -2.496 -2.345 748 HE1 TRP 91 HE1 TRP 91 9.422 -4.782 -3.177 749 HE3 TRP 91 HE3 TRP 91 8.334 -5.161 1.999 750 HZ2 TRP 91 HZ2 TRP 91 9.902 -7.400 -2.151 751 HZ3 TRP 91 HZ3 TRP 91 8.980 -7.554 2.042 752 HH2 TRP 91 HH2 TRP 91 9.762 -8.676 -0.028 753 H ILE 92 H ILE 92 7.009 0.900 0.009 754 HA ILE 92 HA ILE 92 7.777 1.802 2.772 755 HB ILE 92 HB ILE 92 6.769 3.481 0.453 756 HG12 ILE 92 1HG1 ILE 92 9.028 2.724 -0.031 757 HG13 ILE 92 2HG1 ILE 92 9.102 4.410 0.475 758 HG21 ILE 92 1HG2 ILE 92 7.463 5.362 1.943 759 HG22 ILE 92 2HG2 ILE 92 7.787 4.186 3.218 760 HG23 ILE 92 3HG2 ILE 92 6.143 4.403 2.614 761 HD11 ILE 92 3HD1 ILE 92 9.965 1.952 1.971 762 HD12 ILE 92 1HD1 ILE 92 9.498 3.388 2.874 763 HD13 ILE 92 2HD1 ILE 92 10.831 3.458 1.731 764 H THR 93 H THR 93 6.154 1.977 4.220 765 HA THR 93 HA THR 93 3.479 1.068 3.387 766 HB THR 93 HB THR 93 3.088 1.304 5.936 767 HG1 THR 93 HG1 THR 93 5.404 1.112 6.847 768 HG21 THR 93 3HG2 THR 93 4.581 -0.738 6.358 769 HG22 THR 93 1HG2 THR 93 5.112 -0.557 4.686 770 HG23 THR 93 2HG2 THR 93 3.415 -0.874 5.044 771 H VAL 94 H VAL 94 1.619 2.291 3.485 772 HA VAL 94 HA VAL 94 1.938 5.216 4.076 773 HB VAL 94 HB VAL 94 0.347 3.833 1.900 774 HG11 VAL 94 1HG1 VAL 94 -0.261 6.274 1.328 775 HG12 VAL 94 2HG1 VAL 94 0.225 6.655 2.980 776 HG13 VAL 94 3HG1 VAL 94 -1.108 5.538 2.688 777 HG21 VAL 94 3HG2 VAL 94 2.648 4.181 1.282 778 HG22 VAL 94 1HG2 VAL 94 2.638 5.816 1.940 779 HG23 VAL 94 2HG2 VAL 94 1.709 5.446 0.490 780 H LEU 95 H LEU 95 0.472 6.050 5.471 781 HA LEU 95 HA LEU 95 -1.385 4.189 6.775 782 HB2 LEU 95 1HB LEU 95 -0.011 5.838 8.051 783 HB3 LEU 95 2HB LEU 95 -0.906 7.142 7.277 784 HG LEU 95 HG LEU 95 -3.018 6.226 8.225 785 HD11 LEU 95 1HD1 LEU 95 -1.122 4.121 9.207 786 HD12 LEU 95 2HD1 LEU 95 -2.786 3.967 8.645 787 HD13 LEU 95 3HD1 LEU 95 -2.458 4.584 10.260 788 HD21 LEU 95 3HD2 LEU 95 -0.987 6.614 10.430 789 HD22 LEU 95 1HD2 LEU 95 -2.679 7.110 10.409 790 HD23 LEU 95 2HD2 LEU 95 -1.503 7.945 9.393 791 H LEU 96 H LEU 96 -3.255 3.817 5.690 792 HA LEU 96 HA LEU 96 -4.517 5.651 3.882 793 HB2 LEU 96 1HB LEU 96 -5.556 3.229 5.373 794 HB3 LEU 96 2HB LEU 96 -6.505 4.102 4.174 795 HG LEU 96 HG LEU 96 -3.776 2.888 3.633 796 HD11 LEU 96 1HD1 LEU 96 -6.573 1.812 3.270 797 HD12 LEU 96 2HD1 LEU 96 -5.173 1.026 3.998 798 HD13 LEU 96 3HD1 LEU 96 -5.244 1.255 2.252 799 HD21 LEU 96 3HD2 LEU 96 -4.855 3.129 1.202 800 HD22 LEU 96 1HD2 LEU 96 -4.032 4.486 1.962 801 HD23 LEU 96 2HD2 LEU 96 -5.794 4.397 1.987 802 H ASN 97 H ASN 97 -5.011 4.927 7.320 803 HA ASN 97 HA ASN 97 -7.291 6.699 7.559 804 HB2 ASN 97 1HB ASN 97 -5.481 5.360 9.576 805 HB3 ASN 97 2HB ASN 97 -6.816 6.411 10.048 806 HD21 ASN 97 2HD2 ASN 97 -6.775 3.591 10.690 807 HD22 ASN 97 1HD2 ASN 97 -8.037 2.843 9.837 808 H GLY 98 H GLY 98 -4.143 7.350 6.930 809 HA2 GLY 98 1HA GLY 98 -3.493 9.443 8.778 810 HA3 GLY 98 2HA GLY 98 -2.755 9.214 7.194 811 HA PRO 99 HA PRO 99 -5.584 12.996 7.172 812 HB2 PRO 99 1HB PRO 99 -3.664 14.928 6.945 813 HB3 PRO 99 2HB PRO 99 -4.193 14.291 8.515 814 HG2 PRO 99 1HG PRO 99 -1.756 13.611 6.927 815 HG3 PRO 99 2HG PRO 99 -1.930 13.850 8.675 816 HD2 PRO 99 1HD PRO 99 -1.834 11.362 7.495 817 HD3 PRO 99 2HD PRO 99 -2.672 11.681 9.030 818 H LEU 100 H LEU 100 -3.210 11.560 5.206 819 HA LEU 100 HA LEU 100 -3.218 13.342 2.967 820 HB2 LEU 100 1HB LEU 100 -2.385 11.348 1.701 821 HB3 LEU 100 2HB LEU 100 -1.485 11.696 3.171 822 HG LEU 100 HG LEU 100 -3.414 9.970 4.151 823 HD11 LEU 100 1HD1 LEU 100 -3.851 8.211 2.653 824 HD12 LEU 100 2HD1 LEU 100 -2.609 8.742 1.521 825 HD13 LEU 100 3HD1 LEU 100 -4.107 9.656 1.677 826 HD21 LEU 100 3HD2 LEU 100 -0.674 9.397 3.010 827 HD22 LEU 100 1HD2 LEU 100 -1.601 8.194 3.905 828 HD23 LEU 100 2HD2 LEU 100 -1.105 9.689 4.695 829 H GLY 101 H GLY 101 -4.483 13.379 1.122 830 HA2 GLY 101 1HA GLY 101 -7.178 12.272 1.397 831 HA3 GLY 101 2HA GLY 101 -6.623 13.353 0.125 832 H ALA 102 H ALA 102 -8.203 11.315 -0.624 833 HA ALA 102 HA ALA 102 -6.896 8.869 -1.330 834 HB1 ALA 102 3HB ALA 102 -9.310 10.310 -2.445 835 HB2 ALA 102 1HB ALA 102 -9.287 8.917 -1.363 836 HB3 ALA 102 2HB ALA 102 -8.782 8.736 -3.043 837 H LYS 103 H LYS 103 -7.173 12.007 -2.898 838 HA LYS 103 HA LYS 103 -6.159 11.280 -5.467 839 HB2 LYS 103 1HB LYS 103 -5.868 13.895 -3.952 840 HB3 LYS 103 2HB LYS 103 -5.623 13.686 -5.684 841 HG2 LYS 103 1HG LYS 103 -8.231 13.080 -4.256 842 HG3 LYS 103 2HG LYS 103 -7.889 14.600 -5.080 843 HD2 LYS 103 1HD LYS 103 -7.359 13.123 -7.149 844 HD3 LYS 103 2HD LYS 103 -8.205 11.845 -6.277 845 HE2 LYS 103 1HE LYS 103 -9.378 14.568 -6.893 846 HE3 LYS 103 2HE LYS 103 -9.723 13.091 -7.792 847 HZ1 LYS 103 3HZ LYS 103 -10.080 12.483 -5.120 848 HZ2 LYS 103 1HZ LYS 103 -11.282 12.651 -6.304 849 HZ3 LYS 103 2HZ LYS 103 -10.835 13.986 -5.353 850 H GLU 104 H GLU 104 -4.546 12.229 -2.452 851 HA GLU 104 HA GLU 104 -1.896 12.349 -3.531 852 HB2 GLU 104 1HB GLU 104 -2.553 13.278 -1.313 853 HB3 GLU 104 2HB GLU 104 -2.773 11.633 -0.713 854 HG2 GLU 104 1HG GLU 104 -0.422 11.125 -1.165 855 HG3 GLU 104 2HG GLU 104 -0.183 12.740 -1.831 856 H ILE 105 H ILE 105 -3.858 9.721 -2.179 857 HA ILE 105 HA ILE 105 -1.794 7.740 -2.097 858 HB ILE 105 HB ILE 105 -4.792 7.479 -2.483 859 HG12 ILE 105 1HG1 ILE 105 -3.046 7.010 -0.040 860 HG13 ILE 105 2HG1 ILE 105 -3.967 8.484 -0.339 861 HG21 ILE 105 1HG2 ILE 105 -2.624 5.410 -2.095 862 HG22 ILE 105 2HG2 ILE 105 -3.891 5.459 -3.320 863 HG23 ILE 105 3HG2 ILE 105 -4.300 5.086 -1.651 864 HD11 ILE 105 3HD1 ILE 105 -5.414 7.227 1.030 865 HD12 ILE 105 1HD1 ILE 105 -4.995 5.714 0.234 866 HD13 ILE 105 2HD1 ILE 105 -6.014 6.885 -0.590 867 H HIS 106 H HIS 106 -4.129 8.647 -4.626 868 HA HIS 106 HA HIS 106 -3.423 6.648 -6.523 869 HB2 HIS 106 1HB HIS 106 -4.481 9.466 -6.880 870 HB3 HIS 106 2HB HIS 106 -4.337 8.304 -8.199 871 HD1 HIS 106 HD1 HIS 106 -7.121 9.033 -7.842 872 HD2 HIS 106 HD2 HIS 106 -5.402 6.162 -5.356 873 HE1 HIS 106 HE1 HIS 106 -9.034 7.683 -6.880 874 H SER 107 H SER 107 -2.173 9.959 -6.073 875 HA SER 107 HA SER 107 -0.362 9.941 -8.267 876 HB2 SER 107 1HB SER 107 -0.160 11.381 -5.606 877 HB3 SER 107 2HB SER 107 0.801 11.756 -7.034 878 HG SER 107 HG SER 107 -0.827 12.910 -7.666 879 H LEU 108 H LEU 108 0.102 8.995 -4.857 880 HA LEU 108 HA LEU 108 2.884 8.366 -5.092 881 HB2 LEU 108 1HB LEU 108 0.729 7.338 -3.227 882 HB3 LEU 108 2HB LEU 108 2.439 6.963 -3.032 883 HG LEU 108 HG LEU 108 1.337 9.787 -3.156 884 HD11 LEU 108 1HD1 LEU 108 0.443 8.615 -1.192 885 HD12 LEU 108 2HD1 LEU 108 1.638 9.814 -0.699 886 HD13 LEU 108 3HD1 LEU 108 2.070 8.105 -0.739 887 HD21 LEU 108 3HD2 LEU 108 4.058 8.576 -2.671 888 HD22 LEU 108 1HD2 LEU 108 3.643 10.098 -1.885 889 HD23 LEU 108 2HD2 LEU 108 3.619 9.983 -3.638 890 H ILE 109 H ILE 109 -0.034 6.356 -5.408 891 HA ILE 109 HA ILE 109 1.373 3.905 -5.922 892 HB ILE 109 HB ILE 109 -1.426 4.822 -6.659 893 HG12 ILE 109 1HG1 ILE 109 -0.483 2.883 -4.527 894 HG13 ILE 109 2HG1 ILE 109 -0.779 4.593 -4.217 895 HG21 ILE 109 1HG2 ILE 109 -0.056 2.139 -6.944 896 HG22 ILE 109 2HG2 ILE 109 -0.896 3.064 -8.188 897 HG23 ILE 109 3HG2 ILE 109 -1.811 2.304 -6.888 898 HD11 ILE 109 3HD1 ILE 109 -2.779 2.512 -5.124 899 HD12 ILE 109 1HD1 ILE 109 -3.115 4.243 -5.162 900 HD13 ILE 109 2HD1 ILE 109 -2.794 3.441 -3.627 901 H GLU 110 H GLU 110 0.023 6.427 -8.036 902 HA GLU 110 HA GLU 110 0.489 5.223 -10.540 903 HB2 GLU 110 1HB GLU 110 -0.702 7.409 -10.109 904 HB3 GLU 110 2HB GLU 110 0.877 8.160 -9.881 905 HG2 GLU 110 1HG GLU 110 0.246 8.545 -12.166 906 HG3 GLU 110 2HG GLU 110 1.500 7.305 -12.188 907 H ASP 111 H ASP 111 2.697 7.067 -8.449 908 HA ASP 111 HA ASP 111 4.924 7.095 -10.257 909 HB2 ASP 111 1HB ASP 111 4.640 7.299 -7.253 910 HB3 ASP 111 2HB ASP 111 6.235 7.263 -8.002 911 H SER 112 H SER 112 3.886 4.821 -7.733 912 HA SER 112 HA SER 112 6.107 3.047 -7.886 913 HB2 SER 112 1HB SER 112 3.211 2.399 -7.256 914 HB3 SER 112 2HB SER 112 4.604 1.397 -6.859 915 HG SER 112 HG SER 112 4.897 3.975 -6.031 916 H PHE 113 H PHE 113 3.041 3.160 -9.672 917 HA PHE 113 HA PHE 113 3.383 0.760 -11.167 918 HB2 PHE 113 1HB PHE 113 1.237 1.932 -11.049 919 HB3 PHE 113 2HB PHE 113 1.925 3.313 -11.909 920 HD1 PHE 113 HD1 PHE 113 1.441 -0.390 -12.243 921 HD2 PHE 113 HD2 PHE 113 1.813 3.388 -14.254 922 HE1 PHE 113 HE1 PHE 113 0.953 -1.493 -14.410 923 HE2 PHE 113 HE2 PHE 113 1.320 2.284 -16.419 924 HZ PHE 113 HZ PHE 113 0.889 -0.156 -16.497 925 H GLN 114 H GLN 114 4.286 4.129 -11.942 926 HA GLN 114 HA GLN 114 5.296 3.625 -14.550 927 HB2 GLN 114 1HB GLN 114 6.117 5.691 -12.484 928 HB3 GLN 114 2HB GLN 114 6.644 5.713 -14.166 929 HG2 GLN 114 1HG GLN 114 3.737 5.732 -13.301 930 HG3 GLN 114 2HG GLN 114 4.653 7.178 -13.726 931 HE21 GLN 114 2HE2 GLN 114 2.361 5.390 -15.076 932 HE22 GLN 114 1HE2 GLN 114 2.872 5.340 -16.694 933 H LEU 115 H LEU 115 6.694 3.083 -11.378 934 HA LEU 115 HA LEU 115 9.395 2.641 -12.402 935 HB2 LEU 115 1HB LEU 115 8.098 2.034 -9.729 936 HB3 LEU 115 2HB LEU 115 9.813 1.814 -10.068 937 HG LEU 115 HG LEU 115 8.358 4.451 -10.419 938 HD11 LEU 115 1HD1 LEU 115 9.415 5.128 -8.298 939 HD12 LEU 115 2HD1 LEU 115 10.075 3.502 -8.107 940 HD13 LEU 115 3HD1 LEU 115 8.330 3.759 -8.057 941 HD21 LEU 115 3HD2 LEU 115 10.304 4.624 -11.701 942 HD22 LEU 115 1HD2 LEU 115 11.221 3.550 -10.651 943 HD23 LEU 115 2HD2 LEU 115 10.875 5.199 -10.143 944 H THR 116 H THR 116 6.520 0.806 -12.202 945 HA THR 116 HA THR 116 8.054 -1.733 -12.694 946 HB THR 116 HB THR 116 6.203 -2.943 -11.693 947 HG1 THR 116 HG1 THR 116 4.340 -2.022 -11.319 948 HG21 THR 116 3HG2 THR 116 6.864 -0.606 -9.886 949 HG22 THR 116 1HG2 THR 116 7.994 -1.916 -10.225 950 HG23 THR 116 2HG2 THR 116 6.472 -2.254 -9.403 951 H ARG 117 H ARG 117 6.708 0.566 -14.398 952 HA ARG 117 HA ARG 117 4.540 -0.546 -15.821 953 HB2 ARG 117 1HB ARG 117 5.098 1.016 -17.622 954 HB3 ARG 117 2HB ARG 117 5.258 1.810 -16.058 955 HG2 ARG 117 1HG ARG 117 7.702 1.435 -16.119 956 HG3 ARG 117 2HG ARG 117 7.540 0.652 -17.693 957 HD2 ARG 117 1HD ARG 117 6.571 2.740 -18.623 958 HD3 ARG 117 2HD ARG 117 6.781 3.523 -17.056 959 HE ARG 117 HE ARG 117 9.274 2.410 -18.030 960 HH11 ARG 117 1HH2 ARG 117 7.037 5.036 -18.308 961 HH12 ARG 117 2HH2 ARG 117 8.238 6.167 -18.835 962 HH21 ARG 117 1HH1 ARG 117 10.839 3.882 -18.718 963 HH22 ARG 117 2HH1 ARG 117 10.385 5.516 -19.068 964 H LEU 118 H LEU 118 4.375 -1.975 -17.509 965 HA LEU 118 HA LEU 118 6.723 -3.662 -18.033 966 HB2 LEU 118 1HB LEU 118 4.445 -4.564 -17.471 967 HB3 LEU 118 2HB LEU 118 3.888 -3.967 -19.032 968 HG LEU 118 HG LEU 118 6.034 -5.316 -19.899 969 HD11 LEU 118 1HD1 LEU 118 6.545 -5.919 -17.443 970 HD12 LEU 118 2HD1 LEU 118 6.605 -7.220 -18.633 971 HD13 LEU 118 3HD1 LEU 118 5.199 -7.049 -17.585 972 HD21 LEU 118 3HD2 LEU 118 3.845 -5.816 -20.736 973 HD22 LEU 118 1HD2 LEU 118 3.336 -6.481 -19.184 974 HD23 LEU 118 2HD2 LEU 118 4.524 -7.340 -20.165 975 H GLU 119 H GLU 119 7.770 -3.767 -19.951 976 HA GLU 119 HA GLU 119 6.822 -1.999 -22.186 977 HB2 GLU 119 1HB GLU 119 9.618 -2.844 -21.360 978 HB3 GLU 119 2HB GLU 119 9.248 -1.975 -22.853 979 HG2 GLU 119 1HG GLU 119 8.246 -0.144 -21.561 980 HG3 GLU 119 2HG GLU 119 8.560 -1.017 -20.062 981 H HIS 120 H HIS 120 5.473 -3.913 -22.787 982 HA HIS 120 HA HIS 120 6.684 -6.390 -23.588 983 HB2 HIS 120 1HB HIS 120 4.526 -6.732 -24.842 984 HB3 HIS 120 2HB HIS 120 4.304 -6.327 -23.142 985 HD1 HIS 120 HD1 HIS 120 5.034 -3.186 -23.757 986 HD2 HIS 120 HD2 HIS 120 2.023 -5.482 -25.504 987 HE1 HIS 120 HE1 HIS 120 3.294 -1.558 -24.606 988 H HIS 121 H HIS 121 5.921 -3.389 -25.292 989 HA HIS 121 HA HIS 121 7.628 -4.328 -27.564 990 HB2 HIS 121 1HB HIS 121 4.925 -2.964 -27.755 991 HB3 HIS 121 2HB HIS 121 6.028 -3.188 -29.115 992 HD1 HIS 121 HD1 HIS 121 3.612 -5.007 -26.944 993 HD2 HIS 121 HD2 HIS 121 6.398 -5.946 -29.900 994 HE1 HIS 121 HE1 HIS 121 3.136 -7.393 -27.646 995 H HIS 122 H HIS 122 8.760 -2.695 -28.631 996 HA HIS 122 HA HIS 122 9.556 -0.445 -27.038 997 HB2 HIS 122 1HB HIS 122 10.007 -1.176 -29.941 998 HB3 HIS 122 2HB HIS 122 10.741 0.236 -29.181 999 HD1 HIS 122 HD1 HIS 122 10.745 -3.538 -29.042 1000 HD2 HIS 122 HD2 HIS 122 12.879 -0.340 -27.431 1001 HE1 HIS 122 HE1 HIS 122 12.774 -4.534 -27.901 1002 H HIS 123 H HIS 123 7.377 -0.782 -29.843 1003 HA HIS 123 HA HIS 123 6.175 1.837 -29.132 1004 HB2 HIS 123 1HB HIS 123 6.276 2.592 -31.503 1005 HB3 HIS 123 2HB HIS 123 7.875 2.449 -30.777 1006 HD1 HIS 123 HD1 HIS 123 9.385 0.477 -31.576 1007 HD2 HIS 123 HD2 HIS 123 5.736 0.727 -33.576 1008 HE1 HIS 123 HE1 HIS 123 9.577 -1.023 -33.607 1009 H HIS 124 H HIS 124 4.053 2.124 -30.063 1010 HA HIS 124 HA HIS 124 2.882 -0.132 -31.553 1011 HB2 HIS 124 1HB HIS 124 1.054 -0.422 -29.873 1012 HB3 HIS 124 2HB HIS 124 2.631 -0.923 -29.264 1013 HD1 HIS 124 HD1 HIS 124 -0.206 1.082 -28.347 1014 HD2 HIS 124 HD2 HIS 124 3.905 1.389 -27.735 1015 HE1 HIS 124 HE1 HIS 124 0.111 2.675 -26.405 1016 H HIS 125 H HIS 125 0.574 0.355 -32.121 1017 HA HIS 125 HA HIS 125 -0.293 3.149 -31.877 1018 HB2 HIS 125 1HB HIS 125 0.559 1.945 -34.527 1019 HB3 HIS 125 2HB HIS 125 -0.448 3.387 -34.395 1020 HD1 HIS 125 HD1 HIS 125 3.030 2.128 -33.663 1021 HD2 HIS 125 HD2 HIS 125 0.926 5.726 -33.606 1022 HE1 HIS 125 HE1 HIS 125 4.748 3.957 -33.318 Start of MODEL 3 1 H1 MET 1 1H MET 1 -8.508 8.231 1.927 2 H2 MET 1 2H MET 1 -10.178 8.447 1.698 3 H3 MET 1 3H MET 1 -9.077 9.024 0.540 4 HA MET 1 HA MET 1 -10.152 6.991 -0.208 5 HB2 MET 1 1HB MET 1 -7.860 7.496 -0.950 6 HB3 MET 1 2HB MET 1 -7.212 6.686 0.477 7 HG2 MET 1 1HG MET 1 -8.170 4.563 -0.239 8 HG3 MET 1 2HG MET 1 -8.962 5.346 -1.605 9 HE1 MET 1 3HE MET 1 -7.949 6.523 -3.366 10 HE2 MET 1 1HE MET 1 -7.795 4.883 -4.014 11 HE3 MET 1 2HE MET 1 -6.464 6.027 -4.175 12 H ASN 2 H ASN 2 -11.223 5.243 0.528 13 HA ASN 2 HA ASN 2 -10.601 4.206 3.232 14 HB2 ASN 2 1HB ASN 2 -12.903 3.744 1.320 15 HB3 ASN 2 2HB ASN 2 -12.750 2.932 2.878 16 HD21 ASN 2 2HD2 ASN 2 -11.535 5.336 4.197 17 HD22 ASN 2 1HD2 ASN 2 -12.805 6.440 4.398 18 H ARG 3 H ARG 3 -10.770 1.793 3.510 19 HA ARG 3 HA ARG 3 -8.767 0.441 1.995 20 HB2 ARG 3 1HB ARG 3 -9.450 -0.139 4.320 21 HB3 ARG 3 2HB ARG 3 -10.984 -0.741 3.693 22 HG2 ARG 3 1HG ARG 3 -9.792 -2.406 2.330 23 HG3 ARG 3 2HG ARG 3 -8.249 -1.794 2.929 24 HD2 ARG 3 1HD ARG 3 -8.890 -2.400 5.231 25 HD3 ARG 3 2HD ARG 3 -10.447 -2.988 4.649 26 HE ARG 3 HE ARG 3 -8.471 -4.367 3.189 27 HH11 ARG 3 1HH2 ARG 3 -9.526 -3.960 6.447 28 HH12 ARG 3 2HH2 ARG 3 -9.032 -5.545 6.941 29 HH21 ARG 3 1HH1 ARG 3 -7.818 -6.430 3.819 30 HH22 ARG 3 2HH1 ARG 3 -8.065 -6.943 5.454 31 H GLN 4 H GLN 4 -12.327 0.271 1.860 32 HA GLN 4 HA GLN 4 -12.444 -1.774 -0.146 33 HB2 GLN 4 1HB GLN 4 -14.359 -1.067 1.312 34 HB3 GLN 4 2HB GLN 4 -14.455 0.430 0.386 35 HG2 GLN 4 1HG GLN 4 -16.080 -1.143 -0.503 36 HG3 GLN 4 2HG GLN 4 -14.795 -0.932 -1.690 37 HE21 GLN 4 2HE2 GLN 4 -14.774 -3.017 -2.651 38 HE22 GLN 4 1HE2 GLN 4 -14.479 -4.446 -1.784 39 H GLN 5 H GLN 5 -12.281 1.761 -0.321 40 HA GLN 5 HA GLN 5 -12.754 2.001 -3.133 41 HB2 GLN 5 1HB GLN 5 -11.200 3.723 -1.184 42 HB3 GLN 5 2HB GLN 5 -11.507 4.192 -2.855 43 HG2 GLN 5 1HG GLN 5 -13.686 3.481 -0.871 44 HG3 GLN 5 2HG GLN 5 -13.171 5.132 -1.224 45 HE21 GLN 5 2HE2 GLN 5 -15.605 3.090 -1.982 46 HE22 GLN 5 1HE2 GLN 5 -15.919 3.560 -3.583 47 H PHE 6 H PHE 6 -9.761 1.590 -1.256 48 HA PHE 6 HA PHE 6 -7.940 1.796 -3.442 49 HB2 PHE 6 1HB PHE 6 -7.293 1.827 -1.031 50 HB3 PHE 6 2HB PHE 6 -7.661 0.105 -0.942 51 HD1 PHE 6 HD2 PHE 6 -6.270 -1.551 -2.087 52 HD2 PHE 6 HD1 PHE 6 -5.355 2.642 -2.275 53 HE1 PHE 6 HE2 PHE 6 -4.015 -2.083 -2.972 54 HE2 PHE 6 HE1 PHE 6 -3.101 2.111 -3.159 55 HZ PHE 6 HZ PHE 6 -2.430 -0.252 -3.508 56 H ILE 7 H ILE 7 -9.551 -1.042 -2.002 57 HA ILE 7 HA ILE 7 -8.344 -2.990 -3.713 58 HB ILE 7 HB ILE 7 -11.004 -2.987 -2.255 59 HG12 ILE 7 1HG1 ILE 7 -8.397 -4.387 -1.590 60 HG13 ILE 7 2HG1 ILE 7 -8.851 -2.821 -0.923 61 HG21 ILE 7 1HG2 ILE 7 -11.209 -4.634 -3.968 62 HG22 ILE 7 2HG2 ILE 7 -10.726 -5.524 -2.524 63 HG23 ILE 7 3HG2 ILE 7 -9.535 -5.155 -3.771 64 HD11 ILE 7 3HD1 ILE 7 -10.514 -5.343 -0.660 65 HD12 ILE 7 1HD1 ILE 7 -10.853 -3.781 0.089 66 HD13 ILE 7 2HD1 ILE 7 -9.442 -4.713 0.591 67 H ASP 8 H ASP 8 -11.390 -1.165 -3.982 68 HA ASP 8 HA ASP 8 -12.268 -2.387 -6.430 69 HB2 ASP 8 1HB ASP 8 -13.633 -0.948 -4.816 70 HB3 ASP 8 2HB ASP 8 -12.845 0.451 -5.546 71 H TYR 9 H TYR 9 -10.217 0.423 -5.729 72 HA TYR 9 HA TYR 9 -10.028 1.461 -8.373 73 HB2 TYR 9 1HB TYR 9 -9.183 2.686 -6.429 74 HB3 TYR 9 2HB TYR 9 -7.979 1.430 -6.135 75 HD1 TYR 9 HD2 TYR 9 -9.041 4.090 -8.496 76 HD2 TYR 9 HD1 TYR 9 -5.954 1.312 -7.405 77 HE1 TYR 9 HE2 TYR 9 -7.481 5.208 -10.067 78 HE2 TYR 9 HE1 TYR 9 -4.394 2.428 -8.976 79 HH TYR 9 HH TYR 9 -4.626 5.299 -10.067 80 H ALA 10 H ALA 10 -7.967 -0.901 -6.669 81 HA ALA 10 HA ALA 10 -6.259 -1.436 -8.918 82 HB1 ALA 10 3HB ALA 10 -6.896 -3.408 -6.715 83 HB2 ALA 10 1HB ALA 10 -5.868 -1.999 -6.433 84 HB3 ALA 10 2HB ALA 10 -5.389 -3.219 -7.613 85 H GLN 11 H GLN 11 -9.361 -2.681 -7.862 86 HA GLN 11 HA GLN 11 -9.419 -5.038 -9.475 87 HB2 GLN 11 1HB GLN 11 -11.016 -4.308 -7.567 88 HB3 GLN 11 2HB GLN 11 -11.867 -3.390 -8.810 89 HG2 GLN 11 1HG GLN 11 -12.220 -5.415 -10.117 90 HG3 GLN 11 2HG GLN 11 -11.281 -6.358 -8.960 91 HE21 GLN 11 2HE2 GLN 11 -12.369 -7.194 -7.171 92 HE22 GLN 11 1HE2 GLN 11 -13.981 -6.831 -6.772 93 H LYS 12 H LYS 12 -10.464 -1.700 -10.118 94 HA LYS 12 HA LYS 12 -11.501 -2.265 -12.745 95 HB2 LYS 12 1HB LYS 12 -10.545 0.302 -11.453 96 HB3 LYS 12 2HB LYS 12 -11.320 0.226 -13.035 97 HG2 LYS 12 1HG LYS 12 -13.308 -0.828 -12.011 98 HG3 LYS 12 2HG LYS 12 -12.535 -0.735 -10.429 99 HD2 LYS 12 1HD LYS 12 -12.464 1.707 -10.568 100 HD3 LYS 12 2HD LYS 12 -13.151 1.654 -12.192 101 HE2 LYS 12 1HE LYS 12 -15.006 2.101 -10.782 102 HE3 LYS 12 2HE LYS 12 -15.122 0.376 -11.126 103 HZ1 LYS 12 3HZ LYS 12 -14.765 1.678 -8.636 104 HZ2 LYS 12 1HZ LYS 12 -13.474 0.615 -8.923 105 HZ3 LYS 12 2HZ LYS 12 -15.071 0.036 -8.953 106 H LYS 13 H LYS 13 -8.342 -1.276 -11.512 107 HA LYS 13 HA LYS 13 -7.233 -1.001 -14.223 108 HB2 LYS 13 1HB LYS 13 -5.916 -0.846 -11.497 109 HB3 LYS 13 2HB LYS 13 -5.163 -0.394 -13.024 110 HG2 LYS 13 1HG LYS 13 -7.770 0.870 -12.167 111 HG3 LYS 13 2HG LYS 13 -6.236 1.481 -11.556 112 HD2 LYS 13 1HD LYS 13 -5.446 1.800 -13.886 113 HD3 LYS 13 2HD LYS 13 -7.004 1.239 -14.483 114 HE2 LYS 13 1HE LYS 13 -7.026 3.661 -14.462 115 HE3 LYS 13 2HE LYS 13 -8.106 3.081 -13.193 116 HZ1 LYS 13 3HZ LYS 13 -5.441 3.340 -12.242 117 HZ2 LYS 13 1HZ LYS 13 -6.865 4.050 -11.652 118 HZ3 LYS 13 2HZ LYS 13 -5.991 4.808 -12.896 119 H TYR 14 H TYR 14 -7.628 -3.583 -11.997 120 HA TYR 14 HA TYR 14 -5.793 -5.245 -13.657 121 HB2 TYR 14 1HB TYR 14 -5.690 -5.108 -10.626 122 HB3 TYR 14 2HB TYR 14 -4.775 -6.232 -11.631 123 HD1 TYR 14 HD2 TYR 14 -3.115 -5.309 -13.314 124 HD2 TYR 14 HD1 TYR 14 -4.940 -2.872 -10.283 125 HE1 TYR 14 HE2 TYR 14 -1.350 -3.598 -13.627 126 HE2 TYR 14 HE1 TYR 14 -3.172 -1.160 -10.596 127 HH TYR 14 HH TYR 14 -1.279 -0.926 -13.176 128 H ASP 15 H ASP 15 -8.572 -4.958 -11.575 129 HA ASP 15 HA ASP 15 -10.302 -6.468 -11.089 130 HB2 ASP 15 1HB ASP 15 -10.299 -6.448 -13.649 131 HB3 ASP 15 2HB ASP 15 -9.388 -7.956 -13.555 132 H THR 16 H THR 16 -7.688 -6.942 -9.926 133 HA THR 16 HA THR 16 -7.530 -9.924 -9.848 134 HB THR 16 HB THR 16 -5.637 -7.780 -8.842 135 HG1 THR 16 HG1 THR 16 -4.960 -7.956 -10.807 136 HG21 THR 16 3HG2 THR 16 -4.129 -9.842 -8.548 137 HG22 THR 16 1HG2 THR 16 -5.612 -10.794 -8.631 138 HG23 THR 16 2HG2 THR 16 -5.395 -9.607 -7.343 139 H LYS 17 H LYS 17 -8.279 -10.993 -8.107 140 HA LYS 17 HA LYS 17 -9.471 -9.444 -5.931 141 HB2 LYS 17 1HB LYS 17 -9.518 -12.324 -6.781 142 HB3 LYS 17 2HB LYS 17 -10.078 -11.887 -5.170 143 HG2 LYS 17 1HG LYS 17 -11.664 -10.272 -6.156 144 HG3 LYS 17 2HG LYS 17 -11.109 -10.717 -7.769 145 HD2 LYS 17 1HD LYS 17 -11.813 -13.063 -7.337 146 HD3 LYS 17 2HD LYS 17 -12.441 -12.561 -5.766 147 HE2 LYS 17 1HE LYS 17 -14.263 -12.604 -7.401 148 HE3 LYS 17 2HE LYS 17 -13.940 -10.940 -6.914 149 HZ1 LYS 17 3HZ LYS 17 -13.709 -10.506 -9.064 150 HZ2 LYS 17 1HZ LYS 17 -13.702 -12.149 -9.486 151 HZ3 LYS 17 2HZ LYS 17 -12.256 -11.386 -9.022 152 HA PRO 18 HA PRO 18 -6.284 -9.799 -2.863 153 HB2 PRO 18 1HB PRO 18 -8.289 -11.168 -1.096 154 HB3 PRO 18 2HB PRO 18 -7.263 -9.764 -0.756 155 HG2 PRO 18 1HG PRO 18 -9.860 -9.483 -1.263 156 HG3 PRO 18 2HG PRO 18 -8.671 -8.300 -1.845 157 HD2 PRO 18 1HD PRO 18 -10.152 -10.392 -3.387 158 HD3 PRO 18 2HD PRO 18 -9.577 -8.790 -3.895 159 H ASP 19 H ASP 19 -4.708 -11.277 -2.353 160 HA ASP 19 HA ASP 19 -5.337 -14.200 -2.632 161 HB2 ASP 19 1HB ASP 19 -2.876 -12.631 -3.452 162 HB3 ASP 19 2HB ASP 19 -2.925 -14.394 -3.373 163 H HIS 20 H HIS 20 -4.568 -15.504 -0.978 164 HA HIS 20 HA HIS 20 -3.019 -14.141 1.207 165 HB2 HIS 20 1HB HIS 20 -4.914 -16.414 1.752 166 HB3 HIS 20 2HB HIS 20 -4.363 -15.131 2.829 167 HD1 HIS 20 HD1 HIS 20 -7.392 -16.013 1.740 168 HD2 HIS 20 HD2 HIS 20 -5.238 -12.534 0.951 169 HE1 HIS 20 HE1 HIS 20 -9.090 -14.252 1.091 170 HA PRO 21 HA PRO 21 -0.398 -17.661 -0.385 171 HB2 PRO 21 1HB PRO 21 1.543 -15.864 1.053 172 HB3 PRO 21 2HB PRO 21 1.724 -16.691 -0.507 173 HG2 PRO 21 1HG PRO 21 1.252 -14.100 -0.438 174 HG3 PRO 21 2HG PRO 21 0.409 -15.124 -1.623 175 HD2 PRO 21 1HD PRO 21 -0.646 -13.975 0.950 176 HD3 PRO 21 2HD PRO 21 -1.454 -14.130 -0.627 177 H TRP 22 H TRP 22 -0.381 -15.969 2.730 178 HA TRP 22 HA TRP 22 0.458 -18.441 4.139 179 HB2 TRP 22 1HB TRP 22 -0.052 -15.679 5.274 180 HB3 TRP 22 2HB TRP 22 0.795 -17.014 6.055 181 HD1 TRP 22 HD1 TRP 22 2.903 -17.980 4.260 182 HE1 TRP 22 HE1 TRP 22 4.755 -16.501 3.247 183 HE3 TRP 22 HE3 TRP 22 0.687 -13.395 4.657 184 HZ2 TRP 22 HZ2 TRP 22 5.234 -13.737 2.680 185 HZ3 TRP 22 HZ3 TRP 22 1.863 -11.359 3.874 186 HH2 TRP 22 HH2 TRP 22 4.131 -11.524 2.886 187 H GLU 23 H GLU 23 -0.944 -19.647 5.261 188 HA GLU 23 HA GLU 23 -3.795 -19.143 5.145 189 HB2 GLU 23 1HB GLU 23 -3.775 -21.202 6.741 190 HB3 GLU 23 2HB GLU 23 -3.205 -21.424 5.090 191 HG2 GLU 23 1HG GLU 23 -1.227 -20.642 7.229 192 HG3 GLU 23 2HG GLU 23 -1.757 -22.317 7.120 193 H LYS 24 H LYS 24 -1.289 -18.855 7.617 194 HA LYS 24 HA LYS 24 -3.043 -18.400 9.837 195 HB2 LYS 24 1HB LYS 24 -0.149 -17.666 9.350 196 HB3 LYS 24 2HB LYS 24 -0.972 -17.406 10.888 197 HG2 LYS 24 1HG LYS 24 -1.422 -19.784 11.112 198 HG3 LYS 24 2HG LYS 24 -0.790 -20.092 9.499 199 HD2 LYS 24 1HD LYS 24 0.907 -20.670 11.167 200 HD3 LYS 24 2HD LYS 24 1.441 -19.281 10.224 201 HE2 LYS 24 1HE LYS 24 1.720 -19.176 12.798 202 HE3 LYS 24 2HE LYS 24 1.027 -17.772 11.995 203 HZ1 LYS 24 3HZ LYS 24 -0.198 -18.525 14.003 204 HZ2 LYS 24 1HZ LYS 24 -0.587 -19.958 13.184 205 HZ3 LYS 24 2HZ LYS 24 -1.150 -18.466 12.598 206 H PHE 25 H PHE 25 -3.048 -16.557 7.188 207 HA PHE 25 HA PHE 25 -3.729 -14.114 8.744 208 HB2 PHE 25 1HB PHE 25 -1.810 -14.106 6.398 209 HB3 PHE 25 2HB PHE 25 -2.435 -12.678 7.225 210 HD1 PHE 25 HD1 PHE 25 -0.359 -15.729 7.649 211 HD2 PHE 25 HD2 PHE 25 -1.541 -11.955 9.326 212 HE1 PHE 25 HE1 PHE 25 1.439 -15.919 9.345 213 HE2 PHE 25 HE2 PHE 25 0.259 -12.145 11.022 214 HZ PHE 25 HZ PHE 25 1.749 -14.127 11.031 215 HA PRO 26 HA PRO 26 -6.591 -15.160 5.163 216 HB2 PRO 26 1HB PRO 26 -8.907 -15.292 6.643 217 HB3 PRO 26 2HB PRO 26 -7.854 -16.690 6.353 218 HG2 PRO 26 1HG PRO 26 -8.062 -14.942 8.763 219 HG3 PRO 26 2HG PRO 26 -7.829 -16.697 8.659 220 HD2 PRO 26 1HD PRO 26 -5.786 -14.944 9.177 221 HD3 PRO 26 2HD PRO 26 -5.532 -16.508 8.373 222 H ASP 27 H ASP 27 -6.520 -12.805 7.715 223 HA ASP 27 HA ASP 27 -8.532 -11.056 6.469 224 HB2 ASP 27 1HB ASP 27 -6.638 -10.700 8.810 225 HB3 ASP 27 2HB ASP 27 -7.779 -9.464 8.283 226 H TYR 28 H TYR 28 -5.350 -11.819 5.832 227 HA TYR 28 HA TYR 28 -4.500 -9.101 5.075 228 HB2 TYR 28 1HB TYR 28 -3.202 -11.798 5.209 229 HB3 TYR 28 2HB TYR 28 -2.502 -10.606 4.122 230 HD1 TYR 28 HD1 TYR 28 -4.234 -9.802 7.326 231 HD2 TYR 28 HD2 TYR 28 -0.463 -10.190 5.295 232 HE1 TYR 28 HE1 TYR 28 -3.099 -8.698 9.221 233 HE2 TYR 28 HE2 TYR 28 0.670 -9.080 7.200 234 HH TYR 28 HH TYR 28 -0.924 -8.516 10.202 235 H ALA 29 H ALA 29 -4.033 -8.471 2.929 236 HA ALA 29 HA ALA 29 -5.237 -10.189 0.783 237 HB1 ALA 29 3HB ALA 29 -5.594 -7.236 1.325 238 HB2 ALA 29 1HB ALA 29 -6.843 -8.464 1.134 239 HB3 ALA 29 2HB ALA 29 -5.899 -7.938 -0.263 240 H VAL 30 H VAL 30 -3.894 -10.455 -0.945 241 HA VAL 30 HA VAL 30 -1.536 -8.613 -1.188 242 HB VAL 30 HB VAL 30 -1.577 -11.574 -1.806 243 HG11 VAL 30 1HG1 VAL 30 0.858 -11.275 -1.950 244 HG12 VAL 30 2HG1 VAL 30 0.684 -9.565 -1.550 245 HG13 VAL 30 3HG1 VAL 30 0.048 -10.184 -3.076 246 HG21 VAL 30 3HG2 VAL 30 -0.223 -11.793 0.261 247 HG22 VAL 30 1HG2 VAL 30 -1.842 -11.188 0.610 248 HG23 VAL 30 2HG2 VAL 30 -0.470 -10.081 0.589 249 H PHE 31 H PHE 31 -1.420 -7.633 -3.115 250 HA PHE 31 HA PHE 31 -3.013 -8.765 -5.400 251 HB2 PHE 31 1HB PHE 31 -2.150 -5.918 -4.804 252 HB3 PHE 31 2HB PHE 31 -2.988 -6.428 -6.268 253 HD1 PHE 31 HD1 PHE 31 -5.312 -7.233 -6.181 254 HD2 PHE 31 HD2 PHE 31 -3.290 -5.824 -2.663 255 HE1 PHE 31 HE1 PHE 31 -7.484 -7.080 -4.994 256 HE2 PHE 31 HE2 PHE 31 -5.463 -5.670 -1.475 257 HZ PHE 31 HZ PHE 31 -7.560 -6.299 -2.643 258 H ARG 32 H ARG 32 -1.750 -9.693 -6.942 259 HA ARG 32 HA ARG 32 0.842 -8.398 -7.633 260 HB2 ARG 32 1HB ARG 32 1.927 -10.661 -7.714 261 HB3 ARG 32 2HB ARG 32 1.506 -10.141 -6.085 262 HG2 ARG 32 1HG ARG 32 -0.569 -11.491 -6.203 263 HG3 ARG 32 2HG ARG 32 -0.108 -12.037 -7.818 264 HD2 ARG 32 1HD ARG 32 1.943 -13.044 -6.917 265 HD3 ARG 32 2HD ARG 32 1.537 -12.458 -5.307 266 HE ARG 32 HE ARG 32 -0.119 -14.158 -5.129 267 HH11 ARG 32 1HH2 ARG 32 1.260 -13.949 -8.290 268 HH12 ARG 32 2HH2 ARG 32 0.594 -15.458 -8.818 269 HH21 ARG 32 1HH1 ARG 32 -0.988 -16.121 -5.807 270 HH22 ARG 32 2HH1 ARG 32 -0.678 -16.686 -7.414 271 H HIS 33 H HIS 33 1.189 -8.373 -9.795 272 HA HIS 33 HA HIS 33 -0.832 -9.718 -11.523 273 HB2 HIS 33 1HB HIS 33 1.203 -7.646 -12.366 274 HB3 HIS 33 2HB HIS 33 -0.304 -8.086 -13.173 275 HD1 HIS 33 HD1 HIS 33 -2.419 -7.878 -11.156 276 HD2 HIS 33 HD2 HIS 33 0.791 -5.219 -11.124 277 HE1 HIS 33 HE1 HIS 33 -3.191 -5.840 -9.866 278 H SER 34 H SER 34 -0.251 -11.450 -12.700 279 HA SER 34 HA SER 34 2.402 -12.573 -12.568 280 HB2 SER 34 1HB SER 34 1.489 -14.233 -14.166 281 HB3 SER 34 2HB SER 34 0.392 -13.965 -12.815 282 HG SER 34 HG SER 34 -0.893 -12.735 -14.104 283 H ASP 35 H ASP 35 0.789 -10.402 -14.770 284 HA ASP 35 HA ASP 35 2.653 -10.816 -16.972 285 HB2 ASP 35 1HB ASP 35 0.610 -8.658 -16.385 286 HB3 ASP 35 2HB ASP 35 1.567 -8.720 -17.865 287 H ASN 36 H ASN 36 2.910 -9.282 -13.992 288 HA ASN 36 HA ASN 36 5.064 -7.446 -14.999 289 HB2 ASN 36 1HB ASN 36 3.059 -6.347 -13.908 290 HB3 ASN 36 2HB ASN 36 3.510 -7.166 -12.414 291 HD21 ASN 36 2HD2 ASN 36 5.237 -5.271 -14.973 292 HD22 ASN 36 1HD2 ASN 36 6.138 -4.341 -13.876 293 H ASP 37 H ASP 37 5.232 -10.311 -14.321 294 HA ASP 37 HA ASP 37 6.692 -11.745 -13.206 295 HB2 ASP 37 1HB ASP 37 8.313 -9.946 -13.956 296 HB3 ASP 37 2HB ASP 37 8.153 -9.233 -12.352 297 H LYS 38 H LYS 38 4.345 -10.588 -11.803 298 HA LYS 38 HA LYS 38 3.424 -10.534 -9.654 299 HB2 LYS 38 1HB LYS 38 5.705 -12.488 -9.245 300 HB3 LYS 38 2HB LYS 38 4.431 -12.201 -8.057 301 HG2 LYS 38 1HG LYS 38 2.727 -12.840 -9.728 302 HG3 LYS 38 2HG LYS 38 4.003 -13.144 -10.908 303 HD2 LYS 38 1HD LYS 38 4.947 -14.894 -9.468 304 HD3 LYS 38 2HD LYS 38 3.715 -14.571 -8.248 305 HE2 LYS 38 1HE LYS 38 2.855 -16.425 -9.431 306 HE3 LYS 38 2HE LYS 38 2.004 -15.053 -10.139 307 HZ1 LYS 38 3HZ LYS 38 3.086 -16.766 -11.690 308 HZ2 LYS 38 1HZ LYS 38 4.547 -16.003 -11.292 309 HZ3 LYS 38 2HZ LYS 38 3.302 -15.116 -12.034 310 H TRP 39 H TRP 39 3.637 -8.566 -8.729 311 HA TRP 39 HA TRP 39 6.274 -7.738 -7.628 312 HB2 TRP 39 1HB TRP 39 5.252 -5.481 -7.474 313 HB3 TRP 39 2HB TRP 39 5.243 -6.112 -9.117 314 HD1 TRP 39 HD1 TRP 39 2.791 -7.504 -9.703 315 HE1 TRP 39 HE1 TRP 39 0.412 -6.648 -9.229 316 HE3 TRP 39 HE3 TRP 39 3.802 -3.991 -6.125 317 HZ2 TRP 39 HZ2 TRP 39 -0.893 -4.720 -7.580 318 HZ3 TRP 39 HZ3 TRP 39 1.967 -2.650 -5.136 319 HH2 TRP 39 HH2 TRP 39 -0.377 -3.009 -5.859 320 H TYR 40 H TYR 40 5.781 -6.155 -5.612 321 HA TYR 40 HA TYR 40 4.483 -7.923 -3.601 322 HB2 TYR 40 1HB TYR 40 6.449 -5.635 -3.370 323 HB3 TYR 40 2HB TYR 40 5.735 -6.456 -1.982 324 HD1 TYR 40 HD2 TYR 40 8.000 -6.816 -4.878 325 HD2 TYR 40 HD1 TYR 40 6.336 -8.735 -1.414 326 HE1 TYR 40 HE2 TYR 40 9.689 -8.622 -5.067 327 HE2 TYR 40 HE1 TYR 40 8.023 -10.540 -1.603 328 HH TYR 40 HH TYR 40 9.854 -11.065 -4.340 329 H ALA 41 H ALA 41 2.606 -7.335 -2.669 330 HA ALA 41 HA ALA 41 1.881 -4.489 -2.398 331 HB1 ALA 41 3HB ALA 41 1.024 -5.560 -4.670 332 HB2 ALA 41 1HB ALA 41 -0.045 -4.536 -3.714 333 HB3 ALA 41 2HB ALA 41 -0.189 -6.293 -3.627 334 H LEU 42 H LEU 42 1.636 -4.585 -0.195 335 HA LEU 42 HA LEU 42 -0.018 -6.813 0.929 336 HB2 LEU 42 1HB LEU 42 2.463 -5.504 1.783 337 HB3 LEU 42 2HB LEU 42 1.270 -5.523 3.073 338 HG LEU 42 HG LEU 42 2.741 -7.526 3.086 339 HD11 LEU 42 1HD1 LEU 42 1.047 -8.932 3.762 340 HD12 LEU 42 2HD1 LEU 42 0.060 -8.632 2.339 341 HD13 LEU 42 3HD1 LEU 42 0.105 -7.452 3.643 342 HD21 LEU 42 3HD2 LEU 42 1.384 -8.638 0.653 343 HD22 LEU 42 1HD2 LEU 42 3.010 -8.924 1.266 344 HD23 LEU 42 2HD2 LEU 42 2.653 -7.446 0.381 345 H LEU 43 H LEU 43 -1.947 -6.309 1.651 346 HA LEU 43 HA LEU 43 -2.496 -3.507 2.545 347 HB2 LEU 43 1HB LEU 43 -3.426 -3.896 0.278 348 HB3 LEU 43 2HB LEU 43 -4.342 -5.265 0.891 349 HG LEU 43 HG LEU 43 -4.572 -2.527 2.163 350 HD11 LEU 43 1HD1 LEU 43 -6.082 -3.563 -0.248 351 HD12 LEU 43 2HD1 LEU 43 -5.053 -2.133 -0.161 352 HD13 LEU 43 3HD1 LEU 43 -6.585 -2.170 0.712 353 HD21 LEU 43 3HD2 LEU 43 -7.034 -3.684 2.357 354 HD22 LEU 43 1HD2 LEU 43 -5.779 -3.873 3.570 355 HD23 LEU 43 2HD2 LEU 43 -6.035 -5.125 2.360 356 H MET 44 H MET 44 -2.863 -3.687 4.680 357 HA MET 44 HA MET 44 -4.959 -5.471 5.640 358 HB2 MET 44 1HB MET 44 -3.176 -6.424 7.407 359 HB3 MET 44 2HB MET 44 -3.448 -7.218 5.864 360 HG2 MET 44 1HG MET 44 -1.032 -6.878 6.364 361 HG3 MET 44 2HG MET 44 -1.543 -6.089 4.876 362 HE1 MET 44 3HE MET 44 1.179 -5.140 7.111 363 HE2 MET 44 1HE MET 44 1.125 -3.760 6.006 364 HE3 MET 44 2HE MET 44 0.806 -5.386 5.405 365 H ASP 45 H ASP 45 -5.011 -5.308 8.158 366 HA ASP 45 HA ASP 45 -4.555 -2.439 8.840 367 HB2 ASP 45 1HB ASP 45 -6.382 -4.546 10.013 368 HB3 ASP 45 2HB ASP 45 -6.148 -2.948 10.730 369 H ILE 46 H ILE 46 -3.327 -1.860 10.610 370 HA ILE 46 HA ILE 46 -2.248 -4.012 12.326 371 HB ILE 46 HB ILE 46 0.061 -3.079 12.094 372 HG12 ILE 46 1HG1 ILE 46 -1.115 -1.662 9.685 373 HG13 ILE 46 2HG1 ILE 46 -0.705 -0.854 11.197 374 HG21 ILE 46 1HG2 ILE 46 -1.075 -3.985 9.441 375 HG22 ILE 46 2HG2 ILE 46 -0.856 -5.081 10.804 376 HG23 ILE 46 3HG2 ILE 46 0.540 -4.282 10.082 377 HD11 ILE 46 3HD1 ILE 46 1.633 -1.579 10.971 378 HD12 ILE 46 1HD1 ILE 46 1.132 -0.660 9.552 379 HD13 ILE 46 2HD1 ILE 46 1.236 -2.419 9.472 380 HA PRO 47 HA PRO 47 -3.072 -1.146 15.619 381 HB2 PRO 47 1HB PRO 47 -0.343 -1.777 16.680 382 HB3 PRO 47 2HB PRO 47 -1.918 -1.877 17.489 383 HG2 PRO 47 1HG PRO 47 -0.565 -4.054 16.600 384 HG3 PRO 47 2HG PRO 47 -2.331 -3.984 16.716 385 HD2 PRO 47 1HD PRO 47 -0.629 -3.973 14.292 386 HD3 PRO 47 2HD PRO 47 -2.348 -4.380 14.476 387 H ALA 48 H ALA 48 -2.671 1.013 16.074 388 HA ALA 48 HA ALA 48 -1.088 2.559 14.278 389 HB1 ALA 48 3HB ALA 48 -3.039 3.482 15.417 390 HB2 ALA 48 1HB ALA 48 -1.613 4.442 15.809 391 HB3 ALA 48 2HB ALA 48 -2.245 3.285 16.979 392 H GLU 49 H GLU 49 -0.303 1.029 17.312 393 HA GLU 49 HA GLU 49 1.981 2.666 17.960 394 HB2 GLU 49 1HB GLU 49 1.219 -0.154 18.757 395 HB3 GLU 49 2HB GLU 49 2.613 0.705 19.415 396 HG2 GLU 49 1HG GLU 49 1.162 2.479 20.267 397 HG3 GLU 49 2HG GLU 49 -0.243 1.709 19.536 398 H LYS 50 H LYS 50 1.426 0.306 15.563 399 HA LYS 50 HA LYS 50 4.206 -0.599 15.355 400 HB2 LYS 50 1HB LYS 50 1.787 -0.962 13.571 401 HB3 LYS 50 2HB LYS 50 3.352 -1.719 13.274 402 HG2 LYS 50 1HG LYS 50 2.047 -2.053 15.973 403 HG3 LYS 50 2HG LYS 50 1.467 -3.015 14.620 404 HD2 LYS 50 1HD LYS 50 4.436 -2.900 15.113 405 HD3 LYS 50 2HD LYS 50 3.445 -3.902 16.168 406 HE2 LYS 50 1HE LYS 50 3.463 -4.073 13.140 407 HE3 LYS 50 2HE LYS 50 4.318 -5.176 14.220 408 HZ1 LYS 50 3HZ LYS 50 1.844 -5.201 15.250 409 HZ2 LYS 50 1HZ LYS 50 2.422 -6.337 14.131 410 HZ3 LYS 50 2HZ LYS 50 1.500 -5.013 13.597 411 H ILE 51 H ILE 51 2.459 2.134 14.298 412 HA ILE 51 HA ILE 51 4.444 2.654 12.109 413 HB ILE 51 HB ILE 51 2.751 4.433 11.419 414 HG12 ILE 51 1HG1 ILE 51 0.985 2.826 13.285 415 HG13 ILE 51 2HG1 ILE 51 1.535 4.472 13.597 416 HG21 ILE 51 1HG2 ILE 51 1.363 2.805 10.242 417 HG22 ILE 51 2HG2 ILE 51 1.802 1.550 11.401 418 HG23 ILE 51 3HG2 ILE 51 3.021 2.206 10.308 419 HD11 ILE 51 3HD1 ILE 51 -0.174 3.568 11.257 420 HD12 ILE 51 1HD1 ILE 51 0.444 5.205 11.480 421 HD13 ILE 51 2HD1 ILE 51 -0.714 4.534 12.629 422 H GLY 52 H GLY 52 4.094 3.224 15.284 423 HA2 GLY 52 1HA GLY 52 5.592 4.694 16.482 424 HA3 GLY 52 2HA GLY 52 5.613 5.776 15.094 425 H ILE 53 H ILE 53 2.497 5.340 15.086 426 HA ILE 53 HA ILE 53 1.993 7.712 16.731 427 HB ILE 53 HB ILE 53 0.146 5.990 15.061 428 HG12 ILE 53 1HG1 ILE 53 1.225 8.787 14.601 429 HG13 ILE 53 2HG1 ILE 53 1.940 7.336 13.900 430 HG21 ILE 53 1HG2 ILE 53 -1.382 8.020 15.314 431 HG22 ILE 53 2HG2 ILE 53 -0.325 8.544 16.623 432 HG23 ILE 53 3HG2 ILE 53 -1.207 7.021 16.755 433 HD11 ILE 53 3HD1 ILE 53 0.466 8.195 12.234 434 HD12 ILE 53 1HD1 ILE 53 -0.816 8.471 13.409 435 HD13 ILE 53 2HD1 ILE 53 -0.380 6.827 12.952 436 H ASN 54 H ASN 54 1.183 7.734 18.753 437 HA ASN 54 HA ASN 54 0.670 5.168 20.100 438 HB2 ASN 54 1HB ASN 54 1.998 6.970 21.189 439 HB3 ASN 54 2HB ASN 54 0.567 8.001 21.175 440 HD21 ASN 54 2HD2 ASN 54 0.221 8.070 23.464 441 HD22 ASN 54 1HD2 ASN 54 -0.171 6.692 24.378 442 H GLY 55 H GLY 55 -1.310 4.406 19.421 443 HA2 GLY 55 1HA GLY 55 -3.687 5.805 20.425 444 HA3 GLY 55 2HA GLY 55 -3.636 5.593 18.672 445 H ASP 56 H ASP 56 -1.901 3.086 19.618 446 HA ASP 56 HA ASP 56 -2.376 0.783 19.494 447 HB2 ASP 56 1HB ASP 56 -3.671 -0.020 21.434 448 HB3 ASP 56 2HB ASP 56 -2.541 1.243 21.919 449 H LYS 57 H LYS 57 -4.184 2.702 17.933 450 HA LYS 57 HA LYS 57 -6.643 1.023 17.742 451 HB2 LYS 57 1HB LYS 57 -7.571 2.886 16.440 452 HB3 LYS 57 2HB LYS 57 -6.971 3.454 17.997 453 HG2 LYS 57 1HG LYS 57 -4.863 4.171 16.905 454 HG3 LYS 57 2HG LYS 57 -5.509 3.655 15.347 455 HD2 LYS 57 1HD LYS 57 -7.440 5.217 15.695 456 HD3 LYS 57 2HD LYS 57 -6.636 5.814 17.146 457 HE2 LYS 57 1HE LYS 57 -5.386 5.837 14.386 458 HE3 LYS 57 2HE LYS 57 -6.198 7.223 15.115 459 HZ1 LYS 57 3HZ LYS 57 -3.722 7.133 15.400 460 HZ2 LYS 57 1HZ LYS 57 -3.952 5.802 16.425 461 HZ3 LYS 57 2HZ LYS 57 -4.613 7.313 16.835 462 H ARG 58 H ARG 58 -7.217 0.040 15.811 463 HA ARG 58 HA ARG 58 -5.021 -0.680 14.059 464 HB2 ARG 58 1HB ARG 58 -7.992 -1.284 14.004 465 HB3 ARG 58 2HB ARG 58 -6.845 -1.946 12.844 466 HG2 ARG 58 1HG ARG 58 -6.875 -3.656 14.424 467 HG3 ARG 58 2HG ARG 58 -5.531 -2.701 15.031 468 HD2 ARG 58 1HD ARG 58 -7.035 -1.578 16.632 469 HD3 ARG 58 2HD ARG 58 -8.400 -2.485 15.993 470 HE ARG 58 HE ARG 58 -7.616 -4.408 17.145 471 HH11 ARG 58 1HH2 ARG 58 -5.326 -1.819 17.153 472 HH12 ARG 58 2HH2 ARG 58 -4.314 -2.550 18.353 473 HH21 ARG 58 1HH1 ARG 58 -6.313 -5.360 18.708 474 HH22 ARG 58 2HH1 ARG 58 -4.873 -4.555 19.235 475 H VAL 59 H VAL 59 -4.601 0.042 12.019 476 HA VAL 59 HA VAL 59 -6.487 2.020 10.799 477 HB VAL 59 HB VAL 59 -4.499 3.349 10.104 478 HG11 VAL 59 1HG1 VAL 59 -4.194 4.422 12.265 479 HG12 VAL 59 2HG1 VAL 59 -4.714 2.959 13.102 480 HG13 VAL 59 3HG1 VAL 59 -5.867 3.879 12.135 481 HG21 VAL 59 3HG2 VAL 59 -2.404 2.903 11.537 482 HG22 VAL 59 1HG2 VAL 59 -2.704 1.778 10.216 483 HG23 VAL 59 2HG2 VAL 59 -3.101 1.323 11.871 484 H ASP 60 H ASP 60 -6.132 2.287 8.463 485 HA ASP 60 HA ASP 60 -5.497 -0.323 7.232 486 HB2 ASP 60 1HB ASP 60 -6.648 2.260 6.146 487 HB3 ASP 60 2HB ASP 60 -6.386 0.813 5.170 488 H VAL 61 H VAL 61 -3.636 -0.718 6.093 489 HA VAL 61 HA VAL 61 -1.981 1.613 5.215 490 HB VAL 61 HB VAL 61 0.050 0.392 6.002 491 HG11 VAL 61 1HG1 VAL 61 -0.328 0.878 8.434 492 HG12 VAL 61 2HG1 VAL 61 -2.037 1.114 8.074 493 HG13 VAL 61 3HG1 VAL 61 -0.831 2.186 7.369 494 HG21 VAL 61 3HG2 VAL 61 -1.938 -1.322 7.517 495 HG22 VAL 61 1HG2 VAL 61 -0.181 -1.461 7.548 496 HG23 VAL 61 2HG2 VAL 61 -1.070 -1.862 6.081 497 H ILE 62 H ILE 62 -0.703 1.216 3.409 498 HA ILE 62 HA ILE 62 -1.062 -1.427 2.049 499 HB ILE 62 HB ILE 62 -1.287 -0.178 -0.100 500 HG12 ILE 62 1HG1 ILE 62 -1.697 2.243 1.681 501 HG13 ILE 62 2HG1 ILE 62 -0.216 1.938 0.775 502 HG21 ILE 62 1HG2 ILE 62 -3.282 -1.013 0.972 503 HG22 ILE 62 2HG2 ILE 62 -3.633 0.594 0.344 504 HG23 ILE 62 3HG2 ILE 62 -3.329 0.366 2.068 505 HD11 ILE 62 3HD1 ILE 62 -2.987 2.246 -0.412 506 HD12 ILE 62 1HD1 ILE 62 -1.523 1.892 -1.329 507 HD13 ILE 62 2HD1 ILE 62 -1.689 3.437 -0.494 508 H ASP 63 H ASP 63 0.662 -2.004 0.644 509 HA ASP 63 HA ASP 63 3.243 -0.826 1.424 510 HB2 ASP 63 1HB ASP 63 2.928 -3.286 1.253 511 HB3 ASP 63 2HB ASP 63 2.628 -3.103 -0.475 512 H LEU 64 H LEU 64 4.609 0.310 0.026 513 HA LEU 64 HA LEU 64 3.605 0.799 -2.751 514 HB2 LEU 64 1HB LEU 64 3.193 2.661 -0.884 515 HB3 LEU 64 2HB LEU 64 4.881 3.034 -1.192 516 HG LEU 64 HG LEU 64 3.542 4.426 -2.643 517 HD11 LEU 64 1HD1 LEU 64 5.625 3.186 -3.542 518 HD12 LEU 64 2HD1 LEU 64 4.560 3.953 -4.708 519 HD13 LEU 64 3HD1 LEU 64 4.478 2.212 -4.458 520 HD21 LEU 64 3HD2 LEU 64 1.687 3.741 -3.836 521 HD22 LEU 64 1HD2 LEU 64 1.614 2.525 -2.567 522 HD23 LEU 64 2HD2 LEU 64 2.319 2.125 -4.129 523 H LYS 65 H LYS 65 5.158 0.411 -4.204 524 HA LYS 65 HA LYS 65 7.914 -0.074 -3.288 525 HB2 LYS 65 1HB LYS 65 6.802 -1.651 -4.840 526 HB3 LYS 65 2HB LYS 65 6.669 -0.361 -6.034 527 HG2 LYS 65 1HG LYS 65 9.103 -0.147 -6.129 528 HG3 LYS 65 2HG LYS 65 9.281 -1.362 -4.861 529 HD2 LYS 65 1HD LYS 65 8.186 -3.032 -6.326 530 HD3 LYS 65 2HD LYS 65 8.052 -1.816 -7.597 531 HE2 LYS 65 1HE LYS 65 10.672 -2.686 -6.349 532 HE3 LYS 65 2HE LYS 65 10.044 -3.315 -7.870 533 HZ1 LYS 65 3HZ LYS 65 11.494 -0.972 -7.448 534 HZ2 LYS 65 1HZ LYS 65 9.933 -0.511 -7.926 535 HZ3 LYS 65 2HZ LYS 65 10.847 -1.553 -8.908 536 H VAL 66 H VAL 66 9.503 1.415 -3.477 537 HA VAL 66 HA VAL 66 9.284 3.527 -5.579 538 HB VAL 66 HB VAL 66 9.775 5.292 -4.059 539 HG11 VAL 66 1HG1 VAL 66 7.431 4.571 -4.020 540 HG12 VAL 66 2HG1 VAL 66 7.926 5.161 -2.434 541 HG13 VAL 66 3HG1 VAL 66 7.795 3.430 -2.724 542 HG21 VAL 66 3HG2 VAL 66 11.435 4.332 -2.631 543 HG22 VAL 66 1HG2 VAL 66 10.331 3.075 -2.072 544 HG23 VAL 66 2HG2 VAL 66 10.093 4.750 -1.577 545 H GLN 67 H GLN 67 11.400 4.618 -5.922 546 HA GLN 67 HA GLN 67 13.542 2.627 -5.906 547 HB2 GLN 67 1HB GLN 67 13.046 5.314 -7.122 548 HB3 GLN 67 2HB GLN 67 14.733 4.867 -6.891 549 HG2 GLN 67 1HG GLN 67 14.403 2.809 -8.162 550 HG3 GLN 67 2HG GLN 67 12.680 3.148 -8.310 551 HE21 GLN 67 2HE2 GLN 67 13.995 2.839 -10.686 552 HE22 GLN 67 1HE2 GLN 67 14.239 4.334 -11.453 553 HA PRO 68 HA PRO 68 15.650 3.908 -2.228 554 HB2 PRO 68 1HB PRO 68 18.300 3.975 -3.118 555 HB3 PRO 68 2HB PRO 68 17.430 2.502 -2.649 556 HG2 PRO 68 1HG PRO 68 17.945 3.610 -5.372 557 HG3 PRO 68 2HG PRO 68 17.938 1.923 -4.819 558 HD2 PRO 68 1HD PRO 68 15.860 2.972 -6.204 559 HD3 PRO 68 2HD PRO 68 15.614 1.750 -4.939 560 H GLU 69 H GLU 69 15.899 5.740 -5.135 561 HA GLU 69 HA GLU 69 17.151 8.066 -3.775 562 HB2 GLU 69 1HB GLU 69 16.301 7.605 -6.650 563 HB3 GLU 69 2HB GLU 69 17.108 9.057 -6.058 564 HG2 GLU 69 1HG GLU 69 18.247 6.251 -5.860 565 HG3 GLU 69 2HG GLU 69 18.694 7.430 -7.094 566 H LEU 70 H LEU 70 14.052 6.931 -4.974 567 HA LEU 70 HA LEU 70 12.805 9.595 -4.667 568 HB2 LEU 70 1HB LEU 70 11.577 6.910 -5.360 569 HB3 LEU 70 2HB LEU 70 10.768 8.471 -5.459 570 HG LEU 70 HG LEU 70 13.239 7.679 -7.031 571 HD11 LEU 70 1HD1 LEU 70 11.790 7.512 -8.947 572 HD12 LEU 70 2HD1 LEU 70 10.414 8.130 -8.032 573 HD13 LEU 70 3HD1 LEU 70 11.071 6.534 -7.667 574 HD21 LEU 70 3HD2 LEU 70 13.384 10.013 -6.861 575 HD22 LEU 70 1HD2 LEU 70 11.633 10.221 -6.799 576 HD23 LEU 70 2HD2 LEU 70 12.426 9.831 -8.324 577 H VAL 71 H VAL 71 13.649 7.129 -2.601 578 HA VAL 71 HA VAL 71 11.307 6.863 -0.959 579 HB VAL 71 HB VAL 71 13.199 5.311 -0.779 580 HG11 VAL 71 1HG1 VAL 71 14.902 7.206 -1.191 581 HG12 VAL 71 2HG1 VAL 71 15.356 5.964 -0.027 582 HG13 VAL 71 3HG1 VAL 71 14.775 7.531 0.535 583 HG21 VAL 71 3HG2 VAL 71 13.140 6.807 1.844 584 HG22 VAL 71 1HG2 VAL 71 13.155 5.067 1.563 585 HG23 VAL 71 2HG2 VAL 71 11.694 6.001 1.249 586 H GLY 72 H GLY 72 14.013 9.160 -0.915 587 HA2 GLY 72 1HA GLY 72 13.428 10.429 1.547 588 HA3 GLY 72 2HA GLY 72 14.255 11.204 0.199 589 H SER 73 H SER 73 12.178 11.151 -1.721 590 HA SER 73 HA SER 73 10.659 13.450 -0.894 591 HB2 SER 73 1HB SER 73 10.401 11.594 -3.267 592 HB3 SER 73 2HB SER 73 9.424 13.046 -3.062 593 HG SER 73 HG SER 73 12.263 12.999 -3.001 594 H LEU 74 H LEU 74 9.548 10.136 -1.693 595 HA LEU 74 HA LEU 74 6.872 10.591 -0.787 596 HB2 LEU 74 1HB LEU 74 7.306 8.786 -2.298 597 HB3 LEU 74 2HB LEU 74 8.491 8.070 -1.214 598 HG LEU 74 HG LEU 74 5.794 8.414 0.010 599 HD11 LEU 74 1HD1 LEU 74 5.038 6.243 -1.204 600 HD12 LEU 74 2HD1 LEU 74 6.206 6.705 -2.439 601 HD13 LEU 74 3HD1 LEU 74 4.864 7.776 -2.052 602 HD21 LEU 74 3HD2 LEU 74 7.681 7.168 1.071 603 HD22 LEU 74 1HD2 LEU 74 7.651 6.026 -0.270 604 HD23 LEU 74 2HD2 LEU 74 6.271 6.140 0.819 605 H ARG 75 H ARG 75 9.684 9.130 0.860 606 HA ARG 75 HA ARG 75 8.237 8.464 3.253 607 HB2 ARG 75 1HB ARG 75 10.502 7.562 2.522 608 HB3 ARG 75 2HB ARG 75 11.190 9.086 3.084 609 HG2 ARG 75 1HG ARG 75 10.304 8.683 5.338 610 HG3 ARG 75 2HG ARG 75 9.550 7.185 4.792 611 HD2 ARG 75 1HD ARG 75 11.772 6.277 4.212 612 HD3 ARG 75 2HD ARG 75 12.528 7.770 4.764 613 HE ARG 75 HE ARG 75 11.539 5.621 6.460 614 HH11 ARG 75 1HH2 ARG 75 12.153 9.006 6.178 615 HH12 ARG 75 2HH2 ARG 75 12.364 9.239 7.883 616 HH21 ARG 75 1HH1 ARG 75 11.815 5.911 8.677 617 HH22 ARG 75 2HH1 ARG 75 12.173 7.489 9.296 618 H LYS 76 H LYS 76 9.383 11.476 2.029 619 HA LYS 76 HA LYS 76 9.663 12.757 4.628 620 HB2 LYS 76 1HB LYS 76 10.947 13.729 2.896 621 HB3 LYS 76 2HB LYS 76 9.613 13.672 1.753 622 HG2 LYS 76 1HG LYS 76 9.204 15.325 4.225 623 HG3 LYS 76 2HG LYS 76 10.336 15.950 3.040 624 HD2 LYS 76 1HD LYS 76 7.666 14.961 2.048 625 HD3 LYS 76 2HD LYS 76 7.736 16.501 2.868 626 HE2 LYS 76 1HE LYS 76 9.391 15.703 0.464 627 HE3 LYS 76 2HE LYS 76 7.994 16.780 0.439 628 HZ1 LYS 76 3HZ LYS 76 10.682 17.374 1.094 629 HZ2 LYS 76 1HZ LYS 76 9.676 17.739 2.410 630 HZ3 LYS 76 2HZ LYS 76 9.373 18.437 0.892 631 H LYS 77 H LYS 77 7.141 12.292 2.220 632 HA LYS 77 HA LYS 77 5.360 14.293 3.044 633 HB2 LYS 77 1HB LYS 77 4.708 11.528 2.009 634 HB3 LYS 77 2HB LYS 77 3.575 12.875 2.071 635 HG2 LYS 77 1HG LYS 77 6.223 13.213 0.667 636 HG3 LYS 77 2HG LYS 77 4.895 12.400 -0.154 637 HD2 LYS 77 1HD LYS 77 3.444 14.382 0.282 638 HD3 LYS 77 2HD LYS 77 4.825 15.205 1.001 639 HE2 LYS 77 1HE LYS 77 4.585 14.242 -1.859 640 HE3 LYS 77 2HE LYS 77 4.642 15.916 -1.306 641 HZ1 LYS 77 3HZ LYS 77 6.817 13.951 -0.853 642 HZ2 LYS 77 1HZ LYS 77 6.864 15.618 -0.550 643 HZ3 LYS 77 2HZ LYS 77 6.789 15.048 -2.148 644 HA PRO 78 HA PRO 78 4.076 12.894 7.064 645 HB2 PRO 78 1HB PRO 78 1.649 14.145 7.293 646 HB3 PRO 78 2HB PRO 78 3.200 15.003 7.410 647 HG2 PRO 78 1HG PRO 78 1.325 14.795 5.095 648 HG3 PRO 78 2HG PRO 78 2.250 16.192 5.678 649 HD2 PRO 78 1HD PRO 78 3.042 14.677 3.527 650 HD3 PRO 78 2HD PRO 78 4.186 15.541 4.582 651 H GLY 79 H GLY 79 2.774 11.323 8.054 652 HA2 GLY 79 1HA GLY 79 0.997 9.738 8.212 653 HA3 GLY 79 2HA GLY 79 0.482 10.181 6.584 654 H ILE 80 H ILE 80 3.494 9.919 5.854 655 HA ILE 80 HA ILE 80 3.291 7.076 5.100 656 HB ILE 80 HB ILE 80 5.266 9.266 4.412 657 HG12 ILE 80 1HG1 ILE 80 4.254 8.907 2.136 658 HG13 ILE 80 2HG1 ILE 80 3.102 7.796 2.871 659 HG21 ILE 80 1HG2 ILE 80 6.040 7.527 2.690 660 HG22 ILE 80 2HG2 ILE 80 5.215 6.329 3.685 661 HG23 ILE 80 3HG2 ILE 80 6.554 7.262 4.356 662 HD11 ILE 80 3HD1 ILE 80 1.963 9.489 3.978 663 HD12 ILE 80 1HD1 ILE 80 2.478 10.348 2.530 664 HD13 ILE 80 2HD1 ILE 80 3.369 10.554 4.034 665 H TYR 81 H TYR 81 4.199 5.509 6.306 666 HA TYR 81 HA TYR 81 6.427 6.240 8.168 667 HB2 TYR 81 1HB TYR 81 4.185 4.231 8.411 668 HB3 TYR 81 2HB TYR 81 5.614 4.174 9.443 669 HD1 TYR 81 HD2 TYR 81 6.202 6.185 10.857 670 HD2 TYR 81 HD1 TYR 81 2.458 5.821 8.785 671 HE1 TYR 81 HE2 TYR 81 5.234 7.957 12.296 672 HE2 TYR 81 HE1 TYR 81 1.490 7.593 10.220 673 HH TYR 81 HH TYR 81 3.262 8.901 12.970 674 HA PRO 82 HA PRO 82 8.946 3.361 5.918 675 HB2 PRO 82 1HB PRO 82 10.686 2.563 7.888 676 HB3 PRO 82 2HB PRO 82 10.750 4.161 7.117 677 HG2 PRO 82 1HG PRO 82 9.539 3.375 9.734 678 HG3 PRO 82 2HG PRO 82 10.531 4.792 9.332 679 HD2 PRO 82 1HD PRO 82 7.825 4.945 9.526 680 HD3 PRO 82 2HD PRO 82 8.743 5.942 8.375 681 H ALA 83 H ALA 83 9.039 1.150 5.471 682 HA ALA 83 HA ALA 83 7.085 -0.541 6.720 683 HB1 ALA 83 3HB ALA 83 9.302 -1.006 4.729 684 HB2 ALA 83 1HB ALA 83 7.559 -1.030 4.460 685 HB3 ALA 83 2HB ALA 83 8.333 -2.346 5.341 686 H TYR 84 H TYR 84 7.367 -2.260 8.163 687 HA TYR 84 HA TYR 84 9.655 -2.054 9.958 688 HB2 TYR 84 1HB TYR 84 8.506 -3.888 11.189 689 HB3 TYR 84 2HB TYR 84 7.430 -2.533 10.856 690 HD1 TYR 84 HD1 TYR 84 8.350 -5.979 9.824 691 HD2 TYR 84 HD2 TYR 84 5.537 -2.758 9.377 692 HE1 TYR 84 HE1 TYR 84 6.787 -7.504 8.648 693 HE2 TYR 84 HE2 TYR 84 3.979 -4.286 8.196 694 HH TYR 84 HH TYR 84 3.566 -6.401 7.612 695 H HIS 85 H HIS 85 9.554 -3.264 6.995 696 HA HIS 85 HA HIS 85 10.788 -5.893 7.511 697 HB2 HIS 85 1HB HIS 85 10.218 -4.365 4.953 698 HB3 HIS 85 2HB HIS 85 10.952 -5.970 5.005 699 HD1 HIS 85 HD1 HIS 85 9.443 -7.798 6.440 700 HD2 HIS 85 HD2 HIS 85 7.449 -4.467 4.921 701 HE1 HIS 85 HE1 HIS 85 6.977 -8.373 6.448 702 H MET 86 H MET 86 12.915 -6.376 6.417 703 HA MET 86 HA MET 86 14.939 -4.523 7.296 704 HB2 MET 86 1HB MET 86 15.059 -6.978 5.527 705 HB3 MET 86 2HB MET 86 16.485 -6.110 6.096 706 HG2 MET 86 1HG MET 86 15.800 -6.509 8.432 707 HG3 MET 86 2HG MET 86 14.364 -7.359 7.868 708 HE1 MET 86 3HE MET 86 18.705 -8.751 7.936 709 HE2 MET 86 1HE MET 86 17.955 -7.364 8.736 710 HE3 MET 86 2HE MET 86 18.274 -7.321 7.004 711 H ASN 87 H ASN 87 12.991 -4.544 4.545 712 HA ASN 87 HA ASN 87 14.941 -3.492 2.649 713 HB2 ASN 87 1HB ASN 87 11.910 -3.369 2.594 714 HB3 ASN 87 2HB ASN 87 12.988 -3.072 1.229 715 HD21 ASN 87 2HD2 ASN 87 11.254 -5.512 2.909 716 HD22 ASN 87 1HD2 ASN 87 11.959 -6.858 2.150 717 H LYS 88 H LYS 88 11.982 -1.978 3.968 718 HA LYS 88 HA LYS 88 11.547 0.227 4.624 719 HB2 LYS 88 1HB LYS 88 13.527 -0.232 6.143 720 HB3 LYS 88 2HB LYS 88 14.551 0.518 4.923 721 HG2 LYS 88 1HG LYS 88 13.280 2.600 5.080 722 HG3 LYS 88 2HG LYS 88 12.203 1.862 6.267 723 HD2 LYS 88 1HD LYS 88 14.127 1.483 7.778 724 HD3 LYS 88 2HD LYS 88 15.189 2.255 6.601 725 HE2 LYS 88 1HE LYS 88 13.905 4.345 6.797 726 HE3 LYS 88 2HE LYS 88 12.829 3.576 7.962 727 HZ1 LYS 88 3HZ LYS 88 15.564 3.249 8.679 728 HZ2 LYS 88 1HZ LYS 88 14.282 3.893 9.585 729 HZ3 LYS 88 2HZ LYS 88 15.158 4.893 8.527 730 H GLU 89 H GLU 89 13.962 -0.372 2.161 731 HA GLU 89 HA GLU 89 13.611 2.336 0.999 732 HB2 GLU 89 1HB GLU 89 15.461 0.024 0.354 733 HB3 GLU 89 2HB GLU 89 15.414 1.528 -0.565 734 HG2 GLU 89 1HG GLU 89 16.004 2.800 1.447 735 HG3 GLU 89 2HG GLU 89 15.982 1.321 2.406 736 H HIS 90 H HIS 90 13.759 -1.003 -0.291 737 HA HIS 90 HA HIS 90 12.391 -0.429 -2.705 738 HB2 HIS 90 1HB HIS 90 12.611 -3.003 -1.119 739 HB3 HIS 90 2HB HIS 90 11.932 -2.910 -2.744 740 HD1 HIS 90 HD1 HIS 90 14.294 -4.614 -2.749 741 HD2 HIS 90 HD2 HIS 90 14.713 -0.470 -2.923 742 HE1 HIS 90 HE1 HIS 90 16.595 -4.167 -3.707 743 H TRP 91 H TRP 91 11.107 -1.702 0.380 744 HA TRP 91 HA TRP 91 8.343 -1.058 -0.600 745 HB2 TRP 91 1HB TRP 91 9.055 -3.037 1.572 746 HB3 TRP 91 2HB TRP 91 7.513 -2.849 0.734 747 HD1 TRP 91 HD1 TRP 91 8.788 -2.614 -2.233 748 HE1 TRP 91 HE1 TRP 91 9.663 -4.752 -3.360 749 HE3 TRP 91 HE3 TRP 91 9.459 -5.573 1.880 750 HZ2 TRP 91 HZ2 TRP 91 10.531 -7.370 -2.626 751 HZ3 TRP 91 HZ3 TRP 91 10.310 -7.887 1.630 752 HH2 TRP 91 HH2 TRP 91 10.845 -8.788 -0.616 753 H ILE 92 H ILE 92 7.090 0.242 0.626 754 HA ILE 92 HA ILE 92 8.034 1.008 3.351 755 HB ILE 92 HB ILE 92 7.352 2.892 1.080 756 HG12 ILE 92 1HG1 ILE 92 9.798 2.786 2.873 757 HG13 ILE 92 2HG1 ILE 92 9.717 1.947 1.330 758 HG21 ILE 92 1HG2 ILE 92 7.852 4.649 2.920 759 HG22 ILE 92 2HG2 ILE 92 7.539 3.339 4.061 760 HG23 ILE 92 3HG2 ILE 92 6.273 3.861 2.951 761 HD11 ILE 92 3HD1 ILE 92 9.022 4.277 0.383 762 HD12 ILE 92 1HD1 ILE 92 10.715 3.956 0.735 763 HD13 ILE 92 2HD1 ILE 92 9.736 4.894 1.866 764 H THR 93 H THR 93 6.313 1.814 4.696 765 HA THR 93 HA THR 93 3.647 0.821 3.830 766 HB THR 93 HB THR 93 4.529 1.750 6.571 767 HG1 THR 93 HG1 THR 93 4.261 -0.935 5.870 768 HG21 THR 93 3HG2 THR 93 2.594 0.550 7.345 769 HG22 THR 93 1HG2 THR 93 2.305 -0.123 5.742 770 HG23 THR 93 2HG2 THR 93 2.060 1.598 6.033 771 H VAL 94 H VAL 94 1.904 2.161 3.606 772 HA VAL 94 HA VAL 94 2.305 5.087 4.148 773 HB VAL 94 HB VAL 94 0.734 3.748 1.928 774 HG11 VAL 94 1HG1 VAL 94 0.488 6.175 1.180 775 HG12 VAL 94 2HG1 VAL 94 1.043 6.634 2.789 776 HG13 VAL 94 3HG1 VAL 94 -0.454 5.722 2.600 777 HG21 VAL 94 3HG2 VAL 94 2.398 4.932 0.493 778 HG22 VAL 94 1HG2 VAL 94 3.154 3.736 1.547 779 HG23 VAL 94 2HG2 VAL 94 3.246 5.451 1.951 780 H LEU 95 H LEU 95 0.787 6.016 5.422 781 HA LEU 95 HA LEU 95 -1.316 4.284 6.533 782 HB2 LEU 95 1HB LEU 95 0.120 5.749 7.969 783 HB3 LEU 95 2HB LEU 95 -0.623 7.152 7.206 784 HG LEU 95 HG LEU 95 -2.857 6.350 7.970 785 HD11 LEU 95 1HD1 LEU 95 -2.568 4.611 9.967 786 HD12 LEU 95 2HD1 LEU 95 -1.172 4.100 9.026 787 HD13 LEU 95 3HD1 LEU 95 -2.785 4.057 8.313 788 HD21 LEU 95 3HD2 LEU 95 -1.692 8.002 9.316 789 HD22 LEU 95 1HD2 LEU 95 -0.723 6.748 10.091 790 HD23 LEU 95 2HD2 LEU 95 -2.457 6.844 10.404 791 H LEU 96 H LEU 96 -3.139 4.143 5.347 792 HA LEU 96 HA LEU 96 -4.082 6.168 3.534 793 HB2 LEU 96 1HB LEU 96 -5.429 3.783 4.819 794 HB3 LEU 96 2HB LEU 96 -6.213 4.791 3.607 795 HG LEU 96 HG LEU 96 -3.554 3.393 3.183 796 HD11 LEU 96 1HD1 LEU 96 -5.039 1.916 1.653 797 HD12 LEU 96 2HD1 LEU 96 -6.388 2.522 2.609 798 HD13 LEU 96 3HD1 LEU 96 -5.090 1.616 3.388 799 HD21 LEU 96 3HD2 LEU 96 -3.610 5.082 1.570 800 HD22 LEU 96 1HD2 LEU 96 -5.370 5.079 1.467 801 HD23 LEU 96 2HD2 LEU 96 -4.436 3.796 0.705 802 H ASN 97 H ASN 97 -4.858 5.327 6.880 803 HA ASN 97 HA ASN 97 -7.028 7.200 7.146 804 HB2 ASN 97 1HB ASN 97 -6.628 5.264 8.676 805 HB3 ASN 97 2HB ASN 97 -5.201 6.094 9.297 806 HD21 ASN 97 2HD2 ASN 97 -8.760 6.363 9.046 807 HD22 ASN 97 1HD2 ASN 97 -8.930 7.437 10.350 808 H GLY 98 H GLY 98 -3.717 7.613 6.770 809 HA2 GLY 98 1HA GLY 98 -3.052 9.740 8.503 810 HA3 GLY 98 2HA GLY 98 -2.324 9.479 6.919 811 HA PRO 99 HA PRO 99 -4.993 13.372 6.900 812 HB2 PRO 99 1HB PRO 99 -2.991 15.202 6.557 813 HB3 PRO 99 2HB PRO 99 -3.500 14.635 8.159 814 HG2 PRO 99 1HG PRO 99 -1.158 13.781 6.510 815 HG3 PRO 99 2HG PRO 99 -1.253 14.091 8.254 816 HD2 PRO 99 1HD PRO 99 -1.320 11.565 7.184 817 HD3 PRO 99 2HD PRO 99 -2.120 11.985 8.715 818 H LEU 100 H LEU 100 -2.686 11.831 4.894 819 HA LEU 100 HA LEU 100 -2.824 13.560 2.607 820 HB2 LEU 100 1HB LEU 100 -1.984 11.544 1.362 821 HB3 LEU 100 2HB LEU 100 -1.014 12.010 2.752 822 HG LEU 100 HG LEU 100 -2.811 10.237 3.912 823 HD11 LEU 100 1HD1 LEU 100 -3.145 8.357 2.519 824 HD12 LEU 100 2HD1 LEU 100 -2.028 8.960 1.291 825 HD13 LEU 100 3HD1 LEU 100 -3.595 9.739 1.518 826 HD21 LEU 100 3HD2 LEU 100 -0.915 8.578 3.761 827 HD22 LEU 100 1HD2 LEU 100 -0.439 10.171 4.350 828 HD23 LEU 100 2HD2 LEU 100 -0.091 9.705 2.684 829 H GLY 101 H GLY 101 -4.252 13.634 0.937 830 HA2 GLY 101 1HA GLY 101 -6.816 12.252 1.301 831 HA3 GLY 101 2HA GLY 101 -6.467 13.505 0.115 832 H ALA 102 H ALA 102 -7.884 11.536 -0.864 833 HA ALA 102 HA ALA 102 -6.494 9.232 -1.849 834 HB1 ALA 102 3HB ALA 102 -8.827 10.604 -3.190 835 HB2 ALA 102 1HB ALA 102 -9.015 9.613 -1.743 836 HB3 ALA 102 2HB ALA 102 -8.409 8.891 -3.234 837 H LYS 103 H LYS 103 -6.886 12.512 -3.055 838 HA LYS 103 HA LYS 103 -5.921 12.096 -5.707 839 HB2 LYS 103 1HB LYS 103 -5.894 14.491 -3.856 840 HB3 LYS 103 2HB LYS 103 -5.259 14.573 -5.495 841 HG2 LYS 103 1HG LYS 103 -7.490 15.311 -5.713 842 HG3 LYS 103 2HG LYS 103 -7.558 13.633 -6.235 843 HD2 LYS 103 1HD LYS 103 -8.395 12.945 -4.050 844 HD3 LYS 103 2HD LYS 103 -8.200 14.579 -3.424 845 HE2 LYS 103 1HE LYS 103 -9.856 15.394 -5.058 846 HE3 LYS 103 2HE LYS 103 -10.037 13.757 -5.691 847 HZ1 LYS 103 3HZ LYS 103 -11.142 13.060 -3.851 848 HZ2 LYS 103 1HZ LYS 103 -11.624 14.687 -3.839 849 HZ3 LYS 103 2HZ LYS 103 -10.373 14.164 -2.815 850 H GLU 104 H GLU 104 -4.248 12.794 -2.653 851 HA GLU 104 HA GLU 104 -1.625 13.055 -3.785 852 HB2 GLU 104 1HB GLU 104 -2.553 12.197 -1.031 853 HB3 GLU 104 2HB GLU 104 -0.867 12.507 -1.445 854 HG2 GLU 104 1HG GLU 104 -1.450 14.819 -2.092 855 HG3 GLU 104 2HG GLU 104 -3.137 14.506 -1.683 856 H ILE 105 H ILE 105 -3.439 10.289 -2.495 857 HA ILE 105 HA ILE 105 -1.342 8.355 -2.770 858 HB ILE 105 HB ILE 105 -4.359 8.052 -2.796 859 HG12 ILE 105 1HG1 ILE 105 -2.324 7.440 -0.629 860 HG13 ILE 105 2HG1 ILE 105 -3.242 8.944 -0.715 861 HG21 ILE 105 1HG2 ILE 105 -3.746 5.631 -2.190 862 HG22 ILE 105 2HG2 ILE 105 -2.132 6.005 -2.789 863 HG23 ILE 105 3HG2 ILE 105 -3.520 6.101 -3.872 864 HD11 ILE 105 3HD1 ILE 105 -4.349 7.348 0.799 865 HD12 ILE 105 1HD1 ILE 105 -4.428 6.160 -0.499 866 HD13 ILE 105 2HD1 ILE 105 -5.353 7.654 -0.613 867 H HIS 106 H HIS 106 -3.958 9.370 -4.960 868 HA HIS 106 HA HIS 106 -3.548 7.494 -7.028 869 HB2 HIS 106 1HB HIS 106 -4.420 10.391 -7.122 870 HB3 HIS 106 2HB HIS 106 -4.471 9.319 -8.521 871 HD1 HIS 106 HD1 HIS 106 -6.854 10.605 -6.512 872 HD2 HIS 106 HD2 HIS 106 -5.731 6.633 -7.098 873 HE1 HIS 106 HE1 HIS 106 -8.841 9.191 -5.826 874 H SER 107 H SER 107 -1.955 10.638 -6.492 875 HA SER 107 HA SER 107 -0.353 10.585 -8.864 876 HB2 SER 107 1HB SER 107 1.030 12.267 -7.680 877 HB3 SER 107 2HB SER 107 -0.690 12.624 -7.535 878 HG SER 107 HG SER 107 0.131 12.762 -5.497 879 H LEU 108 H LEU 108 0.252 9.432 -5.555 880 HA LEU 108 HA LEU 108 2.962 8.612 -5.991 881 HB2 LEU 108 1HB LEU 108 0.872 7.627 -4.030 882 HB3 LEU 108 2HB LEU 108 2.577 7.184 -3.962 883 HG LEU 108 HG LEU 108 1.503 10.020 -3.838 884 HD11 LEU 108 1HD1 LEU 108 2.522 8.152 -1.679 885 HD12 LEU 108 2HD1 LEU 108 0.910 8.856 -1.810 886 HD13 LEU 108 3HD1 LEU 108 2.295 9.886 -1.448 887 HD21 LEU 108 3HD2 LEU 108 4.251 8.848 -4.014 888 HD22 LEU 108 1HD2 LEU 108 4.041 10.187 -2.885 889 HD23 LEU 108 2HD2 LEU 108 3.648 10.397 -4.589 890 H ILE 109 H ILE 109 -0.132 6.929 -6.362 891 HA ILE 109 HA ILE 109 0.942 4.342 -6.926 892 HB ILE 109 HB ILE 109 -1.642 5.676 -7.772 893 HG12 ILE 109 1HG1 ILE 109 -1.116 3.509 -5.719 894 HG13 ILE 109 2HG1 ILE 109 -1.198 5.223 -5.320 895 HG21 ILE 109 1HG2 ILE 109 -1.291 3.960 -9.386 896 HG22 ILE 109 2HG2 ILE 109 -2.361 3.253 -8.178 897 HG23 ILE 109 3HG2 ILE 109 -0.645 2.851 -8.178 898 HD11 ILE 109 3HD1 ILE 109 -3.490 5.359 -6.095 899 HD12 ILE 109 1HD1 ILE 109 -3.371 3.997 -4.980 900 HD13 ILE 109 2HD1 ILE 109 -3.422 3.712 -6.720 901 H GLU 110 H GLU 110 0.135 7.086 -9.046 902 HA GLU 110 HA GLU 110 0.660 5.826 -11.531 903 HB2 GLU 110 1HB GLU 110 -0.361 8.083 -11.277 904 HB3 GLU 110 2HB GLU 110 1.203 8.710 -10.756 905 HG2 GLU 110 1HG GLU 110 2.203 8.094 -12.903 906 HG3 GLU 110 2HG GLU 110 0.676 7.387 -13.433 907 H ASP 111 H ASP 111 2.847 7.397 -9.213 908 HA ASP 111 HA ASP 111 5.213 7.261 -10.823 909 HB2 ASP 111 1HB ASP 111 4.782 7.280 -7.828 910 HB3 ASP 111 2HB ASP 111 6.383 7.322 -8.564 911 H SER 112 H SER 112 3.796 4.995 -8.470 912 HA SER 112 HA SER 112 5.882 3.041 -8.588 913 HB2 SER 112 1HB SER 112 4.249 1.523 -7.594 914 HB3 SER 112 2HB SER 112 4.103 3.109 -6.844 915 HG SER 112 HG SER 112 2.150 1.858 -7.778 916 H PHE 113 H PHE 113 3.025 3.609 -10.565 917 HA PHE 113 HA PHE 113 3.012 1.170 -12.029 918 HB2 PHE 113 1HB PHE 113 1.192 2.851 -12.117 919 HB3 PHE 113 2HB PHE 113 2.264 3.952 -12.982 920 HD1 PHE 113 HD1 PHE 113 0.679 0.579 -13.162 921 HD2 PHE 113 HD2 PHE 113 2.560 3.776 -15.330 922 HE1 PHE 113 HE1 PHE 113 0.074 -0.515 -15.303 923 HE2 PHE 113 HE2 PHE 113 1.955 2.680 -17.472 924 HZ PHE 113 HZ PHE 113 0.712 0.534 -17.457 925 H GLN 114 H GLN 114 4.699 4.251 -12.659 926 HA GLN 114 HA GLN 114 5.891 3.506 -15.131 927 HB2 GLN 114 1HB GLN 114 6.862 5.370 -12.946 928 HB3 GLN 114 2HB GLN 114 7.602 5.254 -14.543 929 HG2 GLN 114 1HG GLN 114 5.480 5.894 -15.599 930 HG3 GLN 114 2HG GLN 114 4.696 5.950 -14.019 931 HE21 GLN 114 2HE2 GLN 114 6.156 7.914 -16.313 932 HE22 GLN 114 1HE2 GLN 114 6.595 9.214 -15.313 933 H LEU 115 H LEU 115 7.042 3.134 -11.787 934 HA LEU 115 HA LEU 115 9.580 1.981 -12.432 935 HB2 LEU 115 1HB LEU 115 7.815 1.753 -9.985 936 HB3 LEU 115 2HB LEU 115 9.450 1.106 -10.059 937 HG LEU 115 HG LEU 115 8.795 4.004 -10.659 938 HD11 LEU 115 1HD1 LEU 115 8.123 3.625 -8.375 939 HD12 LEU 115 2HD1 LEU 115 9.684 4.439 -8.338 940 HD13 LEU 115 3HD1 LEU 115 9.588 2.703 -8.037 941 HD21 LEU 115 3HD2 LEU 115 10.947 3.565 -11.515 942 HD22 LEU 115 1HD2 LEU 115 11.333 2.422 -10.231 943 HD23 LEU 115 2HD2 LEU 115 11.300 4.150 -9.898 944 H THR 116 H THR 116 6.408 0.515 -11.793 945 HA THR 116 HA THR 116 7.533 -2.175 -12.421 946 HB THR 116 HB THR 116 5.447 -3.049 -11.521 947 HG1 THR 116 HG1 THR 116 3.804 -1.704 -10.948 948 HG21 THR 116 3HG2 THR 116 6.358 -0.800 -9.715 949 HG22 THR 116 1HG2 THR 116 7.311 -2.260 -9.979 950 HG23 THR 116 2HG2 THR 116 5.714 -2.372 -9.238 951 H ARG 117 H ARG 117 6.690 0.226 -14.275 952 HA ARG 117 HA ARG 117 4.489 -0.302 -15.843 953 HB2 ARG 117 1HB ARG 117 6.277 1.484 -16.200 954 HB3 ARG 117 2HB ARG 117 7.196 0.258 -17.071 955 HG2 ARG 117 1HG ARG 117 5.348 -0.054 -18.635 956 HG3 ARG 117 2HG ARG 117 4.362 1.102 -17.747 957 HD2 ARG 117 1HD ARG 117 5.357 2.192 -19.692 958 HD3 ARG 117 2HD ARG 117 6.042 2.865 -18.224 959 HE ARG 117 HE ARG 117 7.428 0.859 -19.980 960 HH11 ARG 117 1HH2 ARG 117 7.510 3.434 -17.635 961 HH12 ARG 117 2HH2 ARG 117 9.229 3.575 -17.688 962 HH21 ARG 117 1HH1 ARG 117 9.663 1.067 -20.024 963 HH22 ARG 117 2HH1 ARG 117 10.441 2.247 -19.024 964 H LEU 118 H LEU 118 3.764 -2.079 -16.865 965 HA LEU 118 HA LEU 118 5.665 -4.285 -17.478 966 HB2 LEU 118 1HB LEU 118 3.329 -5.460 -17.910 967 HB3 LEU 118 2HB LEU 118 3.904 -5.219 -16.266 968 HG LEU 118 HG LEU 118 2.316 -2.974 -17.475 969 HD11 LEU 118 1HD1 LEU 118 0.886 -4.734 -18.184 970 HD12 LEU 118 2HD1 LEU 118 0.202 -4.179 -16.656 971 HD13 LEU 118 3HD1 LEU 118 1.160 -5.660 -16.707 972 HD21 LEU 118 3HD2 LEU 118 1.466 -2.796 -15.175 973 HD22 LEU 118 1HD2 LEU 118 3.225 -2.873 -15.148 974 HD23 LEU 118 2HD2 LEU 118 2.278 -4.297 -14.737 975 H GLU 119 H GLU 119 4.799 -1.679 -19.028 976 HA GLU 119 HA GLU 119 3.588 -2.549 -21.464 977 HB2 GLU 119 1HB GLU 119 5.463 -0.223 -20.950 978 HB3 GLU 119 2HB GLU 119 4.547 -0.459 -22.435 979 HG2 GLU 119 1HG GLU 119 3.272 -0.275 -19.695 980 HG3 GLU 119 2HG GLU 119 3.444 1.098 -20.788 981 H HIS 120 H HIS 120 4.484 -3.362 -23.362 982 HA HIS 120 HA HIS 120 7.411 -3.501 -23.647 983 HB2 HIS 120 1HB HIS 120 6.798 -5.492 -22.250 984 HB3 HIS 120 2HB HIS 120 5.760 -6.045 -23.565 985 HD1 HIS 120 HD1 HIS 120 6.924 -6.853 -25.755 986 HD2 HIS 120 HD2 HIS 120 9.585 -5.768 -22.734 987 HE1 HIS 120 HE1 HIS 120 9.201 -7.706 -26.465 988 H HIS 121 H HIS 121 7.909 -4.767 -25.763 989 HA HIS 121 HA HIS 121 6.448 -3.525 -27.901 990 HB2 HIS 121 1HB HIS 121 8.478 -5.772 -27.888 991 HB3 HIS 121 2HB HIS 121 7.895 -4.976 -29.351 992 HD1 HIS 121 HD1 HIS 121 10.798 -4.609 -29.010 993 HD2 HIS 121 HD2 HIS 121 8.102 -2.115 -27.035 994 HE1 HIS 121 HE1 HIS 121 12.069 -2.497 -28.429 995 H HIS 122 H HIS 122 5.360 -5.810 -25.972 996 HA HIS 122 HA HIS 122 3.739 -7.476 -26.109 997 HB2 HIS 122 1HB HIS 122 3.143 -6.042 -28.717 998 HB3 HIS 122 2HB HIS 122 2.085 -7.221 -27.944 999 HD1 HIS 122 HD1 HIS 122 1.309 -6.563 -25.418 1000 HD2 HIS 122 HD2 HIS 122 2.847 -3.458 -27.736 1001 HE1 HIS 122 HE1 HIS 122 0.590 -4.408 -24.297 1002 H HIS 123 H HIS 123 4.561 -9.474 -26.328 1003 HA HIS 123 HA HIS 123 6.186 -10.350 -28.530 1004 HB2 HIS 123 1HB HIS 123 4.689 -11.832 -26.355 1005 HB3 HIS 123 2HB HIS 123 5.705 -12.650 -27.543 1006 HD1 HIS 123 HD1 HIS 123 5.885 -10.218 -24.665 1007 HD2 HIS 123 HD2 HIS 123 8.485 -12.323 -27.151 1008 HE1 HIS 123 HE1 HIS 123 8.200 -9.949 -23.672 1009 H HIS 124 H HIS 124 2.724 -10.676 -27.775 1010 HA HIS 124 HA HIS 124 2.229 -11.301 -30.627 1011 HB2 HIS 124 1HB HIS 124 0.776 -13.241 -30.011 1012 HB3 HIS 124 2HB HIS 124 2.479 -13.521 -29.659 1013 HD1 HIS 124 HD1 HIS 124 3.208 -13.482 -27.147 1014 HD2 HIS 124 HD2 HIS 124 -0.901 -13.096 -27.734 1015 HE1 HIS 124 HE1 HIS 124 2.123 -13.868 -24.891 1016 H HIS 125 H HIS 125 -0.055 -11.093 -31.188 1017 HA HIS 125 HA HIS 125 -1.295 -8.800 -30.074 1018 HB2 HIS 125 1HB HIS 125 -1.764 -9.613 -32.341 1019 HB3 HIS 125 2HB HIS 125 -2.515 -11.066 -31.681 1020 HD1 HIS 125 HD1 HIS 125 -2.961 -7.283 -31.554 1021 HD2 HIS 125 HD2 HIS 125 -5.218 -10.764 -31.153 1022 HE1 HIS 125 HE1 HIS 125 -5.370 -6.548 -31.295 Start of MODEL 4 1 H1 MET 1 1H MET 1 -11.707 7.266 3.598 2 H2 MET 1 2H MET 1 -10.531 8.280 2.907 3 H3 MET 1 3H MET 1 -10.107 7.210 4.158 4 HA MET 1 HA MET 1 -11.250 6.132 1.677 5 HB2 MET 1 1HB MET 1 -9.428 7.685 0.997 6 HB3 MET 1 2HB MET 1 -8.328 6.845 2.088 7 HG2 MET 1 1HG MET 1 -8.642 4.760 0.839 8 HG3 MET 1 2HG MET 1 -9.800 5.558 -0.226 9 HE1 MET 1 3HE MET 1 -6.749 5.002 -2.516 10 HE2 MET 1 1HE MET 1 -8.354 4.465 -2.000 11 HE3 MET 1 2HE MET 1 -6.929 4.011 -1.069 12 H ASN 2 H ASN 2 -11.823 4.194 2.599 13 HA ASN 2 HA ASN 2 -10.011 2.901 4.555 14 HB2 ASN 2 1HB ASN 2 -12.790 2.230 3.549 15 HB3 ASN 2 2HB ASN 2 -11.891 1.207 4.669 16 HD21 ASN 2 2HD2 ASN 2 -14.117 3.742 4.558 17 HD22 ASN 2 1HD2 ASN 2 -13.882 4.359 6.122 18 H ARG 3 H ARG 3 -10.109 0.321 4.171 19 HA ARG 3 HA ARG 3 -8.463 -0.213 1.899 20 HB2 ARG 3 1HB ARG 3 -8.663 -2.561 2.555 21 HB3 ARG 3 2HB ARG 3 -8.477 -1.567 3.998 22 HG2 ARG 3 1HG ARG 3 -10.929 -1.604 4.335 23 HG3 ARG 3 2HG ARG 3 -11.111 -2.624 2.912 24 HD2 ARG 3 1HD ARG 3 -11.128 -4.063 4.847 25 HD3 ARG 3 2HD ARG 3 -9.604 -4.307 4.001 26 HE ARG 3 HE ARG 3 -8.457 -3.257 5.804 27 HH11 ARG 3 1HH2 ARG 3 -11.898 -3.057 6.083 28 HH12 ARG 3 2HH2 ARG 3 -11.860 -2.516 7.726 29 HH21 ARG 3 1HH1 ARG 3 -8.403 -2.553 7.945 30 HH22 ARG 3 2HH1 ARG 3 -9.886 -2.227 8.778 31 H GLN 4 H GLN 4 -11.928 -0.462 2.433 32 HA GLN 4 HA GLN 4 -12.654 -2.059 0.221 33 HB2 GLN 4 1HB GLN 4 -14.178 -1.214 2.044 34 HB3 GLN 4 2HB GLN 4 -14.158 0.362 1.253 35 HG2 GLN 4 1HG GLN 4 -16.129 -0.819 0.510 36 HG3 GLN 4 2HG GLN 4 -14.994 -0.757 -0.840 37 HE21 GLN 4 2HE2 GLN 4 -14.762 -2.737 -1.872 38 HE22 GLN 4 1HE2 GLN 4 -14.937 -4.254 -1.131 39 H GLN 5 H GLN 5 -12.093 1.458 0.404 40 HA GLN 5 HA GLN 5 -12.719 1.987 -2.356 41 HB2 GLN 5 1HB GLN 5 -11.099 3.439 -0.259 42 HB3 GLN 5 2HB GLN 5 -11.265 4.066 -1.898 43 HG2 GLN 5 1HG GLN 5 -12.967 5.066 -0.456 44 HG3 GLN 5 2HG GLN 5 -13.742 4.008 -1.637 45 HE21 GLN 5 2HE2 GLN 5 -15.540 3.281 -0.415 46 HE22 GLN 5 1HE2 GLN 5 -15.400 2.440 1.054 47 H PHE 6 H PHE 6 -9.694 1.290 -0.627 48 HA PHE 6 HA PHE 6 -7.920 1.599 -2.840 49 HB2 PHE 6 1HB PHE 6 -7.138 1.443 -0.518 50 HB3 PHE 6 2HB PHE 6 -7.706 -0.223 -0.426 51 HD1 PHE 6 HD1 PHE 6 -5.352 2.030 -2.245 52 HD2 PHE 6 HD2 PHE 6 -6.375 -2.015 -1.223 53 HE1 PHE 6 HE1 PHE 6 -3.210 1.243 -3.215 54 HE2 PHE 6 HE2 PHE 6 -4.233 -2.802 -2.193 55 HZ PHE 6 HZ PHE 6 -2.650 -1.172 -3.189 56 H ILE 7 H ILE 7 -9.618 -1.277 -1.595 57 HA ILE 7 HA ILE 7 -8.543 -3.128 -3.490 58 HB ILE 7 HB ILE 7 -11.156 -3.123 -1.952 59 HG12 ILE 7 1HG1 ILE 7 -8.601 -4.692 -1.506 60 HG13 ILE 7 2HG1 ILE 7 -8.966 -3.177 -0.685 61 HG21 ILE 7 1HG2 ILE 7 -11.099 -5.608 -2.443 62 HG22 ILE 7 2HG2 ILE 7 -9.841 -5.276 -3.632 63 HG23 ILE 7 3HG2 ILE 7 -11.455 -4.596 -3.841 64 HD11 ILE 7 3HD1 ILE 7 -10.970 -4.148 0.304 65 HD12 ILE 7 1HD1 ILE 7 -9.584 -5.178 0.667 66 HD13 ILE 7 2HD1 ILE 7 -10.722 -5.643 -0.597 67 H ASP 8 H ASP 8 -11.489 -1.124 -3.547 68 HA ASP 8 HA ASP 8 -12.533 -2.102 -6.016 69 HB2 ASP 8 1HB ASP 8 -12.780 0.565 -4.610 70 HB3 ASP 8 2HB ASP 8 -13.652 0.191 -6.096 71 H TYR 9 H TYR 9 -10.210 0.477 -5.290 72 HA TYR 9 HA TYR 9 -9.966 1.554 -7.913 73 HB2 TYR 9 1HB TYR 9 -9.019 2.687 -5.981 74 HB3 TYR 9 2HB TYR 9 -7.936 1.329 -5.674 75 HD1 TYR 9 HD2 TYR 9 -8.745 4.036 -8.098 76 HD2 TYR 9 HD1 TYR 9 -5.888 1.078 -6.860 77 HE1 TYR 9 HE2 TYR 9 -7.064 5.013 -9.638 78 HE2 TYR 9 HE1 TYR 9 -4.208 2.054 -8.398 79 HH TYR 9 HH TYR 9 -3.827 4.400 -9.455 80 H ALA 10 H ALA 10 -8.181 -1.088 -6.318 81 HA ALA 10 HA ALA 10 -6.357 -1.643 -8.430 82 HB1 ALA 10 3HB ALA 10 -5.938 -2.689 -6.344 83 HB2 ALA 10 1HB ALA 10 -6.442 -4.015 -7.390 84 HB3 ALA 10 2HB ALA 10 -7.581 -3.321 -6.240 85 H GLN 11 H GLN 11 -9.664 -2.813 -7.846 86 HA GLN 11 HA GLN 11 -9.704 -4.693 -9.999 87 HB2 GLN 11 1HB GLN 11 -11.931 -3.141 -8.659 88 HB3 GLN 11 2HB GLN 11 -12.199 -4.449 -9.809 89 HG2 GLN 11 1HG GLN 11 -10.606 -4.737 -7.248 90 HG3 GLN 11 2HG GLN 11 -12.301 -5.194 -7.420 91 HE21 GLN 11 2HE2 GLN 11 -9.460 -6.685 -7.238 92 HE22 GLN 11 1HE2 GLN 11 -9.658 -7.928 -8.375 93 H LYS 12 H LYS 12 -10.753 -1.295 -9.814 94 HA LYS 12 HA LYS 12 -11.654 -1.118 -12.534 95 HB2 LYS 12 1HB LYS 12 -12.264 0.481 -10.710 96 HB3 LYS 12 2HB LYS 12 -10.611 1.096 -10.749 97 HG2 LYS 12 1HG LYS 12 -10.881 1.758 -13.095 98 HG3 LYS 12 2HG LYS 12 -12.518 1.098 -13.108 99 HD2 LYS 12 1HD LYS 12 -13.172 2.693 -11.333 100 HD3 LYS 12 2HD LYS 12 -11.541 3.365 -11.345 101 HE2 LYS 12 1HE LYS 12 -11.811 4.022 -13.699 102 HE3 LYS 12 2HE LYS 12 -13.430 3.323 -13.718 103 HZ1 LYS 12 3HZ LYS 12 -12.732 5.345 -11.697 104 HZ2 LYS 12 1HZ LYS 12 -14.250 4.957 -12.346 105 HZ3 LYS 12 2HZ LYS 12 -13.131 5.837 -13.274 106 H LYS 13 H LYS 13 -8.517 -0.505 -10.996 107 HA LYS 13 HA LYS 13 -7.282 0.756 -13.226 108 HB2 LYS 13 1HB LYS 13 -6.387 0.742 -10.905 109 HB3 LYS 13 2HB LYS 13 -5.967 -0.959 -11.110 110 HG2 LYS 13 1HG LYS 13 -4.436 -0.443 -12.902 111 HG3 LYS 13 2HG LYS 13 -4.962 1.240 -12.932 112 HD2 LYS 13 1HD LYS 13 -4.082 1.590 -10.680 113 HD3 LYS 13 2HD LYS 13 -3.621 -0.104 -10.566 114 HE2 LYS 13 1HE LYS 13 -1.619 1.011 -11.186 115 HE3 LYS 13 2HE LYS 13 -2.221 0.328 -12.696 116 HZ1 LYS 13 3HZ LYS 13 -3.156 2.995 -11.977 117 HZ2 LYS 13 1HZ LYS 13 -2.779 2.352 -13.500 118 HZ3 LYS 13 2HZ LYS 13 -1.534 2.857 -12.461 119 H TYR 14 H TYR 14 -7.119 -2.732 -12.278 120 HA TYR 14 HA TYR 14 -6.730 -3.369 -15.153 121 HB2 TYR 14 1HB TYR 14 -4.817 -5.022 -14.132 122 HB3 TYR 14 2HB TYR 14 -4.462 -3.429 -14.787 123 HD1 TYR 14 HD1 TYR 14 -6.157 -4.312 -11.560 124 HD2 TYR 14 HD2 TYR 14 -2.688 -2.625 -13.458 125 HE1 TYR 14 HE1 TYR 14 -5.302 -3.580 -9.360 126 HE2 TYR 14 HE2 TYR 14 -1.841 -1.891 -11.248 127 HH TYR 14 HH TYR 14 -2.505 -2.993 -8.575 128 H ASP 15 H ASP 15 -8.670 -3.884 -12.753 129 HA ASP 15 HA ASP 15 -10.007 -5.682 -12.048 130 HB2 ASP 15 1HB ASP 15 -9.089 -6.664 -14.765 131 HB3 ASP 15 2HB ASP 15 -10.272 -7.522 -13.782 132 H THR 16 H THR 16 -7.540 -5.639 -10.825 133 HA THR 16 HA THR 16 -6.479 -8.426 -10.970 134 HB THR 16 HB THR 16 -5.422 -5.956 -9.565 135 HG1 THR 16 HG1 THR 16 -3.822 -6.167 -11.220 136 HG21 THR 16 3HG2 THR 16 -4.363 -8.780 -9.822 137 HG22 THR 16 1HG2 THR 16 -4.708 -7.891 -8.337 138 HG23 THR 16 2HG2 THR 16 -3.353 -7.411 -9.359 139 H LYS 17 H LYS 17 -7.168 -9.860 -9.468 140 HA LYS 17 HA LYS 17 -8.645 -8.866 -7.108 141 HB2 LYS 17 1HB LYS 17 -8.246 -11.609 -8.306 142 HB3 LYS 17 2HB LYS 17 -9.132 -11.332 -6.809 143 HG2 LYS 17 1HG LYS 17 -9.865 -9.733 -9.257 144 HG3 LYS 17 2HG LYS 17 -10.415 -11.399 -9.137 145 HD2 LYS 17 1HD LYS 17 -10.833 -9.624 -6.746 146 HD3 LYS 17 2HD LYS 17 -11.867 -9.369 -8.147 147 HE2 LYS 17 1HE LYS 17 -12.619 -11.071 -6.301 148 HE3 LYS 17 2HE LYS 17 -12.823 -11.502 -7.998 149 HZ1 LYS 17 3HZ LYS 17 -11.761 -13.346 -7.242 150 HZ2 LYS 17 1HZ LYS 17 -10.903 -12.515 -6.040 151 HZ3 LYS 17 2HZ LYS 17 -10.404 -12.415 -7.660 152 HA PRO 18 HA PRO 18 -5.177 -9.554 -4.421 153 HB2 PRO 18 1HB PRO 18 -6.447 -10.046 -2.037 154 HB3 PRO 18 2HB PRO 18 -6.348 -8.433 -2.773 155 HG2 PRO 18 1HG PRO 18 -8.604 -10.393 -2.815 156 HG3 PRO 18 2HG PRO 18 -8.641 -8.632 -2.598 157 HD2 PRO 18 1HD PRO 18 -9.223 -9.824 -4.991 158 HD3 PRO 18 2HD PRO 18 -8.488 -8.209 -4.879 159 H ASP 19 H ASP 19 -4.051 -11.196 -3.223 160 HA ASP 19 HA ASP 19 -5.036 -13.977 -3.747 161 HB2 ASP 19 1HB ASP 19 -2.258 -12.806 -3.438 162 HB3 ASP 19 2HB ASP 19 -2.576 -14.543 -3.444 163 H HIS 20 H HIS 20 -4.701 -15.534 -2.003 164 HA HIS 20 HA HIS 20 -4.201 -14.326 0.688 165 HB2 HIS 20 1HB HIS 20 -6.442 -16.277 0.141 166 HB3 HIS 20 2HB HIS 20 -6.158 -15.326 1.601 167 HD1 HIS 20 HD1 HIS 20 -8.228 -15.305 -1.294 168 HD2 HIS 20 HD2 HIS 20 -6.178 -12.349 0.802 169 HE1 HIS 20 HE1 HIS 20 -9.303 -13.101 -1.931 170 HA PRO 21 HA PRO 21 -2.012 -18.366 0.390 171 HB2 PRO 21 1HB PRO 21 0.466 -17.511 1.059 172 HB3 PRO 21 2HB PRO 21 -0.172 -17.307 -0.584 173 HG2 PRO 21 1HG PRO 21 0.146 -15.299 1.584 174 HG3 PRO 21 2HG PRO 21 0.264 -15.092 -0.173 175 HD2 PRO 21 1HD PRO 21 -1.995 -14.467 1.438 176 HD3 PRO 21 2HD PRO 21 -1.966 -14.544 -0.338 177 H TRP 22 H TRP 22 -2.605 -16.023 2.784 178 HA TRP 22 HA TRP 22 -1.583 -17.741 4.997 179 HB2 TRP 22 1HB TRP 22 -2.594 -14.882 4.978 180 HB3 TRP 22 2HB TRP 22 -2.017 -15.742 6.407 181 HD1 TRP 22 HD1 TRP 22 0.545 -17.073 5.640 182 HE1 TRP 22 HE1 TRP 22 2.602 -15.801 4.756 183 HE3 TRP 22 HE3 TRP 22 -1.702 -12.789 3.991 184 HZ2 TRP 22 HZ2 TRP 22 3.218 -13.300 3.520 185 HZ3 TRP 22 HZ3 TRP 22 -0.353 -10.980 2.967 186 HH2 TRP 22 HH2 TRP 22 2.103 -11.230 2.729 187 H GLU 23 H GLU 23 -3.142 -19.308 5.228 188 HA GLU 23 HA GLU 23 -5.976 -18.838 5.074 189 HB2 GLU 23 1HB GLU 23 -6.173 -21.113 5.858 190 HB3 GLU 23 2HB GLU 23 -4.771 -21.052 4.791 191 HG2 GLU 23 1HG GLU 23 -3.354 -20.667 6.879 192 HG3 GLU 23 2HG GLU 23 -4.789 -21.088 7.816 193 H LYS 24 H LYS 24 -3.645 -18.908 7.729 194 HA LYS 24 HA LYS 24 -5.592 -18.743 9.841 195 HB2 LYS 24 1HB LYS 24 -2.648 -18.051 9.743 196 HB3 LYS 24 2HB LYS 24 -3.609 -18.035 11.221 197 HG2 LYS 24 1HG LYS 24 -4.151 -20.417 10.912 198 HG3 LYS 24 2HG LYS 24 -3.234 -20.433 9.407 199 HD2 LYS 24 1HD LYS 24 -1.829 -21.334 11.167 200 HD3 LYS 24 2HD LYS 24 -1.191 -19.766 10.678 201 HE2 LYS 24 1HE LYS 24 -3.157 -19.856 12.951 202 HE3 LYS 24 2HE LYS 24 -1.494 -20.354 13.250 203 HZ1 LYS 24 3HZ LYS 24 -2.432 -17.784 13.176 204 HZ2 LYS 24 1HZ LYS 24 -1.612 -17.968 11.703 205 HZ3 LYS 24 2HZ LYS 24 -0.802 -18.267 13.166 206 H PHE 25 H PHE 25 -4.796 -16.459 7.520 207 HA PHE 25 HA PHE 25 -5.879 -14.286 9.241 208 HB2 PHE 25 1HB PHE 25 -3.342 -14.085 7.611 209 HB3 PHE 25 2HB PHE 25 -4.159 -12.728 8.389 210 HD1 PHE 25 HD1 PHE 25 -4.559 -12.829 10.916 211 HD2 PHE 25 HD2 PHE 25 -1.885 -15.482 8.852 212 HE1 PHE 25 HE1 PHE 25 -3.457 -13.390 13.066 213 HE2 PHE 25 HE2 PHE 25 -0.782 -16.040 11.001 214 HZ PHE 25 HZ PHE 25 -1.568 -14.995 13.108 215 HA PRO 26 HA PRO 26 -7.777 -14.466 4.987 216 HB2 PRO 26 1HB PRO 26 -10.386 -14.250 5.823 217 HB3 PRO 26 2HB PRO 26 -9.528 -15.799 5.697 218 HG2 PRO 26 1HG PRO 26 -10.075 -14.128 8.107 219 HG3 PRO 26 2HG PRO 26 -10.118 -15.891 7.924 220 HD2 PRO 26 1HD PRO 26 -8.029 -14.557 9.078 221 HD3 PRO 26 2HD PRO 26 -7.828 -16.111 8.241 222 H ASP 27 H ASP 27 -7.805 -12.235 7.605 223 HA ASP 27 HA ASP 27 -9.306 -10.140 6.237 224 HB2 ASP 27 1HB ASP 27 -7.523 -10.158 8.686 225 HB3 ASP 27 2HB ASP 27 -8.368 -8.718 8.114 226 H TYR 28 H TYR 28 -6.259 -11.439 5.784 227 HA TYR 28 HA TYR 28 -4.971 -8.872 5.034 228 HB2 TYR 28 1HB TYR 28 -4.008 -11.719 5.316 229 HB3 TYR 28 2HB TYR 28 -3.033 -10.511 4.480 230 HD1 TYR 28 HD1 TYR 28 -5.099 -10.705 7.626 231 HD2 TYR 28 HD2 TYR 28 -1.423 -9.443 5.795 232 HE1 TYR 28 HE1 TYR 28 -4.315 -9.829 9.803 233 HE2 TYR 28 HE2 TYR 28 -0.640 -8.570 7.976 234 HH TYR 28 HH TYR 28 -1.087 -8.947 10.373 235 H ALA 29 H ALA 29 -4.459 -8.330 2.926 236 HA ALA 29 HA ALA 29 -5.375 -10.181 0.752 237 HB1 ALA 29 3HB ALA 29 -6.308 -8.312 -0.442 238 HB2 ALA 29 1HB ALA 29 -5.656 -7.165 0.728 239 HB3 ALA 29 2HB ALA 29 -6.965 -8.253 1.191 240 H VAL 30 H VAL 30 -3.939 -10.325 -0.978 241 HA VAL 30 HA VAL 30 -1.516 -8.547 -0.860 242 HB VAL 30 HB VAL 30 -1.660 -11.481 -1.590 243 HG11 VAL 30 1HG1 VAL 30 0.050 -10.373 -2.900 244 HG12 VAL 30 2HG1 VAL 30 0.851 -11.235 -1.587 245 HG13 VAL 30 3HG1 VAL 30 0.624 -9.489 -1.484 246 HG21 VAL 30 3HG2 VAL 30 -1.882 -10.815 0.870 247 HG22 VAL 30 1HG2 VAL 30 -0.248 -10.165 0.741 248 HG23 VAL 30 2HG2 VAL 30 -0.535 -11.887 0.484 249 H PHE 31 H PHE 31 -1.130 -7.449 -2.691 250 HA PHE 31 HA PHE 31 -2.529 -8.294 -5.205 251 HB2 PHE 31 1HB PHE 31 -1.581 -5.588 -4.218 252 HB3 PHE 31 2HB PHE 31 -2.165 -5.880 -5.858 253 HD1 PHE 31 HD1 PHE 31 -4.511 -6.576 -6.255 254 HD2 PHE 31 HD2 PHE 31 -3.098 -5.552 -2.331 255 HE1 PHE 31 HE1 PHE 31 -6.850 -6.384 -5.461 256 HE2 PHE 31 HE2 PHE 31 -5.436 -5.359 -1.539 257 HZ PHE 31 HZ PHE 31 -7.310 -5.777 -3.103 258 H ARG 32 H ARG 32 -1.117 -9.328 -6.556 259 HA ARG 32 HA ARG 32 1.538 -8.089 -7.040 260 HB2 ARG 32 1HB ARG 32 1.916 -9.828 -5.313 261 HB3 ARG 32 2HB ARG 32 1.184 -11.031 -6.374 262 HG2 ARG 32 1HG ARG 32 2.927 -10.618 -8.066 263 HG3 ARG 32 2HG ARG 32 3.650 -9.385 -7.032 264 HD2 ARG 32 1HD ARG 32 3.966 -11.140 -5.269 265 HD3 ARG 32 2HD ARG 32 3.395 -12.344 -6.423 266 HE ARG 32 HE ARG 32 5.998 -10.963 -6.495 267 HH11 ARG 32 1HH2 ARG 32 3.608 -12.858 -8.119 268 HH12 ARG 32 2HH2 ARG 32 4.720 -13.500 -9.280 269 HH21 ARG 32 1HH1 ARG 32 7.455 -11.798 -8.000 270 HH22 ARG 32 2HH1 ARG 32 6.897 -12.901 -9.213 271 H HIS 33 H HIS 33 2.152 -8.260 -9.176 272 HA HIS 33 HA HIS 33 0.231 -9.631 -10.999 273 HB2 HIS 33 1HB HIS 33 2.340 -7.509 -11.487 274 HB3 HIS 33 2HB HIS 33 1.331 -8.220 -12.749 275 HD1 HIS 33 HD1 HIS 33 1.356 -5.183 -11.301 276 HD2 HIS 33 HD2 HIS 33 -1.571 -8.149 -11.164 277 HE1 HIS 33 HE1 HIS 33 -0.815 -4.022 -10.716 278 H SER 34 H SER 34 0.832 -11.521 -11.915 279 HA SER 34 HA SER 34 3.500 -12.615 -11.530 280 HB2 SER 34 1HB SER 34 1.053 -13.536 -13.043 281 HB3 SER 34 2HB SER 34 2.549 -14.463 -13.013 282 HG SER 34 HG SER 34 1.561 -15.233 -11.278 283 H ASP 35 H ASP 35 1.907 -10.806 -14.045 284 HA ASP 35 HA ASP 35 3.477 -11.623 -16.285 285 HB2 ASP 35 1HB ASP 35 2.062 -9.034 -15.629 286 HB3 ASP 35 2HB ASP 35 2.882 -9.304 -17.167 287 H ASN 36 H ASN 36 4.022 -9.061 -13.864 288 HA ASN 36 HA ASN 36 6.643 -8.431 -15.111 289 HB2 ASN 36 1HB ASN 36 5.253 -7.230 -12.689 290 HB3 ASN 36 2HB ASN 36 6.706 -6.598 -13.468 291 HD21 ASN 36 2HD2 ASN 36 6.445 -5.396 -15.443 292 HD22 ASN 36 1HD2 ASN 36 4.924 -5.024 -16.099 293 H ASP 37 H ASP 37 5.521 -10.775 -13.159 294 HA ASP 37 HA ASP 37 6.414 -12.112 -11.454 295 HB2 ASP 37 1HB ASP 37 8.878 -11.260 -12.992 296 HB3 ASP 37 2HB ASP 37 8.921 -12.461 -11.700 297 H LYS 38 H LYS 38 6.462 -8.943 -11.170 298 HA LYS 38 HA LYS 38 7.867 -9.014 -8.539 299 HB2 LYS 38 1HB LYS 38 8.170 -6.880 -10.672 300 HB3 LYS 38 2HB LYS 38 8.782 -6.747 -9.025 301 HG2 LYS 38 1HG LYS 38 10.171 -8.756 -9.380 302 HG3 LYS 38 2HG LYS 38 9.580 -8.864 -11.040 303 HD2 LYS 38 1HD LYS 38 11.032 -6.476 -9.875 304 HD3 LYS 38 2HD LYS 38 11.783 -7.709 -10.883 305 HE2 LYS 38 1HE LYS 38 11.264 -6.160 -12.525 306 HE3 LYS 38 2HE LYS 38 9.743 -7.051 -12.518 307 HZ1 LYS 38 3HZ LYS 38 8.788 -5.117 -12.044 308 HZ2 LYS 38 1HZ LYS 38 10.274 -4.358 -11.737 309 HZ3 LYS 38 2HZ LYS 38 9.490 -5.219 -10.500 310 H TRP 39 H TRP 39 7.181 -5.891 -9.186 311 HA TRP 39 HA TRP 39 5.579 -4.454 -8.258 312 HB2 TRP 39 1HB TRP 39 4.440 -4.884 -10.326 313 HB3 TRP 39 2HB TRP 39 3.902 -6.471 -9.779 314 HD1 TRP 39 HD1 TRP 39 1.558 -6.561 -8.807 315 HE1 TRP 39 HE1 TRP 39 -0.128 -4.841 -7.888 316 HE3 TRP 39 HE3 TRP 39 4.435 -2.340 -8.942 317 HZ2 TRP 39 HZ2 TRP 39 -0.242 -2.045 -7.284 318 HZ3 TRP 39 HZ3 TRP 39 3.514 -0.167 -8.184 319 HH2 TRP 39 HH2 TRP 39 1.182 -0.014 -7.358 320 H TYR 40 H TYR 40 5.795 -4.723 -6.038 321 HA TYR 40 HA TYR 40 4.174 -6.877 -4.738 322 HB2 TYR 40 1HB TYR 40 6.499 -5.210 -3.747 323 HB3 TYR 40 2HB TYR 40 5.565 -6.300 -2.721 324 HD1 TYR 40 HD2 TYR 40 7.861 -6.097 -5.615 325 HD2 TYR 40 HD1 TYR 40 5.744 -8.699 -2.933 326 HE1 TYR 40 HE2 TYR 40 9.198 -8.022 -6.427 327 HE2 TYR 40 HE1 TYR 40 7.079 -10.624 -3.746 328 HH TYR 40 HH TYR 40 9.242 -11.031 -4.825 329 H ALA 41 H ALA 41 2.355 -6.304 -3.756 330 HA ALA 41 HA ALA 41 2.079 -3.685 -2.437 331 HB1 ALA 41 3HB ALA 41 1.243 -3.005 -4.564 332 HB2 ALA 41 1HB ALA 41 -0.201 -3.420 -3.641 333 HB3 ALA 41 2HB ALA 41 0.441 -4.553 -4.831 334 H LEU 42 H LEU 42 0.975 -4.099 -0.524 335 HA LEU 42 HA LEU 42 -1.011 -6.308 -0.507 336 HB2 LEU 42 1HB LEU 42 0.025 -7.151 1.658 337 HB3 LEU 42 2HB LEU 42 0.916 -7.530 0.188 338 HG LEU 42 HG LEU 42 1.626 -4.956 1.562 339 HD11 LEU 42 1HD1 LEU 42 2.348 -7.692 2.649 340 HD12 LEU 42 2HD1 LEU 42 1.476 -6.412 3.492 341 HD13 LEU 42 3HD1 LEU 42 3.181 -6.202 3.092 342 HD21 LEU 42 3HD2 LEU 42 3.894 -5.628 0.857 343 HD22 LEU 42 1HD2 LEU 42 2.781 -5.706 -0.507 344 HD23 LEU 42 2HD2 LEU 42 3.273 -7.186 0.312 345 H LEU 43 H LEU 43 -2.647 -5.984 0.903 346 HA LEU 43 HA LEU 43 -2.568 -3.465 2.523 347 HB2 LEU 43 1HB LEU 43 -4.240 -3.586 0.675 348 HB3 LEU 43 2HB LEU 43 -4.946 -5.005 1.436 349 HG LEU 43 HG LEU 43 -4.639 -2.634 3.234 350 HD11 LEU 43 1HD1 LEU 43 -6.597 -1.483 2.345 351 HD12 LEU 43 2HD1 LEU 43 -6.719 -2.647 1.027 352 HD13 LEU 43 3HD1 LEU 43 -5.339 -1.552 1.114 353 HD21 LEU 43 3HD2 LEU 43 -5.796 -4.689 3.968 354 HD22 LEU 43 1HD2 LEU 43 -6.936 -4.535 2.633 355 HD23 LEU 43 2HD2 LEU 43 -6.917 -3.334 3.923 356 H MET 44 H MET 44 -2.736 -3.701 4.725 357 HA MET 44 HA MET 44 -4.123 -6.035 5.843 358 HB2 MET 44 1HB MET 44 -1.989 -6.554 7.253 359 HB3 MET 44 2HB MET 44 -2.085 -7.169 5.605 360 HG2 MET 44 1HG MET 44 -0.754 -5.284 4.790 361 HG3 MET 44 2HG MET 44 -0.698 -4.604 6.418 362 HE1 MET 44 3HE MET 44 1.672 -4.696 5.076 363 HE2 MET 44 1HE MET 44 2.899 -5.800 5.711 364 HE3 MET 44 2HE MET 44 2.071 -4.684 6.792 365 H ASP 45 H ASP 45 -4.384 -5.861 8.172 366 HA ASP 45 HA ASP 45 -4.285 -3.027 9.085 367 HB2 ASP 45 1HB ASP 45 -5.851 -3.846 10.861 368 HB3 ASP 45 2HB ASP 45 -6.473 -4.071 9.226 369 H ILE 46 H ILE 46 -2.556 -2.509 10.310 370 HA ILE 46 HA ILE 46 -1.470 -4.576 12.173 371 HB ILE 46 HB ILE 46 0.762 -3.505 11.840 372 HG12 ILE 46 1HG1 ILE 46 -0.514 -2.229 9.409 373 HG13 ILE 46 2HG1 ILE 46 -0.264 -1.346 10.913 374 HG21 ILE 46 1HG2 ILE 46 0.037 -5.575 10.661 375 HG22 ILE 46 2HG2 ILE 46 1.179 -4.621 9.713 376 HG23 ILE 46 3HG2 ILE 46 -0.543 -4.580 9.326 377 HD11 ILE 46 3HD1 ILE 46 2.164 -1.964 10.808 378 HD12 ILE 46 1HD1 ILE 46 1.640 -0.929 9.480 379 HD13 ILE 46 2HD1 ILE 46 1.868 -2.658 9.214 380 HA PRO 47 HA PRO 47 -2.280 -1.733 15.513 381 HB2 PRO 47 1HB PRO 47 0.542 -2.265 16.382 382 HB3 PRO 47 2HB PRO 47 -0.962 -2.371 17.318 383 HG2 PRO 47 1HG PRO 47 0.339 -4.547 16.406 384 HG3 PRO 47 2HG PRO 47 -1.422 -4.490 16.576 385 HD2 PRO 47 1HD PRO 47 0.213 -4.465 14.094 386 HD3 PRO 47 2HD PRO 47 -1.483 -4.943 14.338 387 H ALA 48 H ALA 48 -2.032 0.478 15.762 388 HA ALA 48 HA ALA 48 -0.401 1.961 13.920 389 HB1 ALA 48 3HB ALA 48 -2.433 2.953 14.672 390 HB2 ALA 48 1HB ALA 48 -1.133 3.922 15.364 391 HB3 ALA 48 2HB ALA 48 -1.985 2.747 16.366 392 H GLU 49 H GLU 49 0.190 0.711 17.101 393 HA GLU 49 HA GLU 49 2.211 2.531 17.969 394 HB2 GLU 49 1HB GLU 49 3.014 0.515 19.326 395 HB3 GLU 49 2HB GLU 49 1.342 1.012 19.587 396 HG2 GLU 49 1HG GLU 49 0.527 -0.726 18.119 397 HG3 GLU 49 2HG GLU 49 2.171 -1.150 17.636 398 H LYS 50 H LYS 50 2.288 -0.168 15.720 399 HA LYS 50 HA LYS 50 5.128 -0.525 15.642 400 HB2 LYS 50 1HB LYS 50 2.945 -1.077 13.632 401 HB3 LYS 50 2HB LYS 50 4.635 -1.491 13.338 402 HG2 LYS 50 1HG LYS 50 4.658 -2.856 15.399 403 HG3 LYS 50 2HG LYS 50 2.966 -2.448 15.684 404 HD2 LYS 50 1HD LYS 50 2.313 -3.535 13.598 405 HD3 LYS 50 2HD LYS 50 4.001 -3.869 13.212 406 HE2 LYS 50 1HE LYS 50 4.190 -5.268 15.236 407 HE3 LYS 50 2HE LYS 50 2.503 -4.940 15.622 408 HZ1 LYS 50 3HZ LYS 50 3.193 -7.066 14.292 409 HZ2 LYS 50 1HZ LYS 50 3.148 -6.005 12.970 410 HZ3 LYS 50 2HZ LYS 50 1.758 -6.234 13.920 411 H ILE 51 H ILE 51 2.982 1.627 13.764 412 HA ILE 51 HA ILE 51 5.222 2.606 12.164 413 HB ILE 51 HB ILE 51 3.499 4.334 11.411 414 HG12 ILE 51 1HG1 ILE 51 1.661 2.546 13.031 415 HG13 ILE 51 2HG1 ILE 51 2.099 4.195 13.477 416 HG21 ILE 51 1HG2 ILE 51 3.984 2.212 10.209 417 HG22 ILE 51 2HG2 ILE 51 2.291 2.682 10.061 418 HG23 ILE 51 3HG2 ILE 51 2.756 1.401 11.181 419 HD11 ILE 51 3HD1 ILE 51 1.129 5.015 11.353 420 HD12 ILE 51 1HD1 ILE 51 -0.074 4.153 12.313 421 HD13 ILE 51 2HD1 ILE 51 0.676 3.365 10.927 422 H GLY 52 H GLY 52 4.975 2.889 15.254 423 HA2 GLY 52 1HA GLY 52 6.078 4.396 16.698 424 HA3 GLY 52 2HA GLY 52 6.298 5.488 15.334 425 H ILE 53 H ILE 53 3.112 4.908 15.118 426 HA ILE 53 HA ILE 53 2.482 7.406 16.528 427 HB ILE 53 HB ILE 53 0.747 5.516 14.917 428 HG12 ILE 53 1HG1 ILE 53 1.918 8.250 14.299 429 HG13 ILE 53 2HG1 ILE 53 2.554 6.723 13.691 430 HG21 ILE 53 1HG2 ILE 53 -0.855 7.462 14.925 431 HG22 ILE 53 2HG2 ILE 53 0.162 8.233 16.138 432 HG23 ILE 53 3HG2 ILE 53 -0.655 6.715 16.506 433 HD11 ILE 53 3HD1 ILE 53 1.203 7.311 11.912 434 HD12 ILE 53 1HD1 ILE 53 0.056 8.173 12.934 435 HD13 ILE 53 2HD1 ILE 53 0.029 6.412 12.872 436 H ASN 54 H ASN 54 1.644 7.547 18.529 437 HA ASN 54 HA ASN 54 1.148 5.084 20.047 438 HB2 ASN 54 1HB ASN 54 1.124 8.019 20.786 439 HB3 ASN 54 2HB ASN 54 0.825 6.719 21.940 440 HD21 ASN 54 2HD2 ASN 54 2.817 4.900 20.572 441 HD22 ASN 54 1HD2 ASN 54 4.342 5.505 20.998 442 H GLY 55 H GLY 55 -0.808 4.223 19.335 443 HA2 GLY 55 1HA GLY 55 -3.233 5.665 20.215 444 HA3 GLY 55 2HA GLY 55 -3.169 5.200 18.512 445 H ASP 56 H ASP 56 -1.432 2.831 19.524 446 HA ASP 56 HA ASP 56 -1.862 0.550 19.868 447 HB2 ASP 56 1HB ASP 56 -2.163 1.525 22.199 448 HB3 ASP 56 2HB ASP 56 -3.898 1.560 21.880 449 H LYS 57 H LYS 57 -3.684 2.261 18.044 450 HA LYS 57 HA LYS 57 -6.069 0.450 17.993 451 HB2 LYS 57 1HB LYS 57 -7.142 2.197 16.642 452 HB3 LYS 57 2HB LYS 57 -6.577 2.852 18.177 453 HG2 LYS 57 1HG LYS 57 -4.533 3.690 17.045 454 HG3 LYS 57 2HG LYS 57 -5.157 3.088 15.507 455 HD2 LYS 57 1HD LYS 57 -7.188 4.515 15.828 456 HD3 LYS 57 2HD LYS 57 -6.436 5.194 17.272 457 HE2 LYS 57 1HE LYS 57 -5.282 5.309 14.470 458 HE3 LYS 57 2HE LYS 57 -6.061 6.648 15.313 459 HZ1 LYS 57 3HZ LYS 57 -3.399 5.890 15.446 460 HZ2 LYS 57 1HZ LYS 57 -4.072 5.507 16.955 461 HZ3 LYS 57 2HZ LYS 57 -4.180 7.093 16.357 462 H ARG 58 H ARG 58 -6.620 -0.616 16.088 463 HA ARG 58 HA ARG 58 -4.425 -1.274 14.314 464 HB2 ARG 58 1HB ARG 58 -7.373 -1.951 14.318 465 HB3 ARG 58 2HB ARG 58 -6.251 -2.567 13.103 466 HG2 ARG 58 1HG ARG 58 -4.880 -3.590 14.875 467 HG3 ARG 58 2HG ARG 58 -5.980 -2.955 16.099 468 HD2 ARG 58 1HD ARG 58 -7.829 -4.267 15.129 469 HD3 ARG 58 2HD ARG 58 -6.738 -4.897 13.896 470 HE ARG 58 HE ARG 58 -5.749 -5.395 16.579 471 HH11 ARG 58 1HH2 ARG 58 -7.923 -6.412 14.100 472 HH12 ARG 58 2HH2 ARG 58 -7.949 -8.064 14.620 473 HH21 ARG 58 1HH1 ARG 58 -5.772 -7.544 17.266 474 HH22 ARG 58 2HH1 ARG 58 -6.731 -8.706 16.411 475 H VAL 59 H VAL 59 -4.058 -0.534 12.220 476 HA VAL 59 HA VAL 59 -6.078 1.325 11.027 477 HB VAL 59 HB VAL 59 -4.203 2.810 10.310 478 HG11 VAL 59 1HG1 VAL 59 -5.548 3.360 12.285 479 HG12 VAL 59 2HG1 VAL 59 -3.867 3.822 12.557 480 HG13 VAL 59 3HG1 VAL 59 -4.510 2.354 13.294 481 HG21 VAL 59 3HG2 VAL 59 -2.635 0.957 12.129 482 HG22 VAL 59 1HG2 VAL 59 -2.057 2.549 11.643 483 HG23 VAL 59 2HG2 VAL 59 -2.325 1.300 10.427 484 H ASP 60 H ASP 60 -5.853 1.536 8.692 485 HA ASP 60 HA ASP 60 -4.907 -1.000 7.491 486 HB2 ASP 60 1HB ASP 60 -6.581 1.312 6.495 487 HB3 ASP 60 2HB ASP 60 -6.044 0.007 5.434 488 H VAL 61 H VAL 61 -3.067 -1.140 6.282 489 HA VAL 61 HA VAL 61 -1.838 1.392 5.263 490 HB VAL 61 HB VAL 61 0.374 0.586 5.943 491 HG11 VAL 61 1HG1 VAL 61 -1.585 0.500 8.253 492 HG12 VAL 61 2HG1 VAL 61 -0.977 1.973 7.506 493 HG13 VAL 61 3HG1 VAL 61 0.130 0.896 8.352 494 HG21 VAL 61 3HG2 VAL 61 0.006 -1.821 5.846 495 HG22 VAL 61 1HG2 VAL 61 -1.190 -1.724 7.137 496 HG23 VAL 61 2HG2 VAL 61 0.508 -1.392 7.479 497 H ILE 62 H ILE 62 -0.368 1.032 3.462 498 HA ILE 62 HA ILE 62 -0.675 -1.628 2.124 499 HB ILE 62 HB ILE 62 -1.039 -0.463 -0.038 500 HG12 ILE 62 1HG1 ILE 62 -1.409 2.006 1.690 501 HG13 ILE 62 2HG1 ILE 62 0.004 1.707 0.676 502 HG21 ILE 62 1HG2 ILE 62 -3.393 0.221 0.456 503 HG22 ILE 62 2HG2 ILE 62 -3.016 0.144 2.178 504 HG23 ILE 62 3HG2 ILE 62 -2.956 -1.319 1.196 505 HD11 ILE 62 3HD1 ILE 62 -2.861 2.070 -0.222 506 HD12 ILE 62 1HD1 ILE 62 -1.593 1.457 -1.283 507 HD13 ILE 62 2HD1 ILE 62 -1.471 3.085 -0.615 508 H ASP 63 H ASP 63 1.088 -2.241 0.850 509 HA ASP 63 HA ASP 63 3.607 -0.942 1.544 510 HB2 ASP 63 1HB ASP 63 3.430 -3.391 1.371 511 HB3 ASP 63 2HB ASP 63 3.027 -3.241 -0.340 512 H LEU 64 H LEU 64 4.805 0.436 0.271 513 HA LEU 64 HA LEU 64 3.907 0.841 -2.564 514 HB2 LEU 64 1HB LEU 64 3.340 2.671 -0.717 515 HB3 LEU 64 2HB LEU 64 5.026 3.115 -0.939 516 HG LEU 64 HG LEU 64 3.693 4.464 -2.442 517 HD11 LEU 64 1HD1 LEU 64 5.881 3.370 -3.234 518 HD12 LEU 64 2HD1 LEU 64 4.828 4.042 -4.471 519 HD13 LEU 64 3HD1 LEU 64 4.859 2.303 -4.192 520 HD21 LEU 64 3HD2 LEU 64 1.870 2.446 -2.495 521 HD22 LEU 64 1HD2 LEU 64 2.672 2.142 -4.036 522 HD23 LEU 64 2HD2 LEU 64 1.929 3.706 -3.719 523 H LYS 65 H LYS 65 5.536 0.376 -3.915 524 HA LYS 65 HA LYS 65 8.261 0.073 -2.888 525 HB2 LYS 65 1HB LYS 65 7.268 -1.528 -4.491 526 HB3 LYS 65 2HB LYS 65 7.155 -0.246 -5.688 527 HG2 LYS 65 1HG LYS 65 9.856 -0.676 -4.457 528 HG3 LYS 65 2HG LYS 65 9.279 -1.947 -5.527 529 HD2 LYS 65 1HD LYS 65 8.840 -0.184 -7.278 530 HD3 LYS 65 2HD LYS 65 9.621 0.981 -6.218 531 HE2 LYS 65 1HE LYS 65 10.893 -1.531 -7.324 532 HE3 LYS 65 2HE LYS 65 11.239 0.119 -7.839 533 HZ1 LYS 65 3HZ LYS 65 12.076 0.641 -5.680 534 HZ2 LYS 65 1HZ LYS 65 12.853 -0.771 -6.212 535 HZ3 LYS 65 2HZ LYS 65 11.603 -0.871 -5.064 536 H VAL 66 H VAL 66 9.936 1.502 -3.197 537 HA VAL 66 HA VAL 66 9.635 3.663 -5.222 538 HB VAL 66 HB VAL 66 10.243 5.396 -3.610 539 HG11 VAL 66 1HG1 VAL 66 7.971 3.851 -2.367 540 HG12 VAL 66 2HG1 VAL 66 7.809 4.585 -3.965 541 HG13 VAL 66 3HG1 VAL 66 8.140 5.595 -2.559 542 HG21 VAL 66 3HG2 VAL 66 10.194 3.106 -1.623 543 HG22 VAL 66 1HG2 VAL 66 10.217 4.807 -1.162 544 HG23 VAL 66 2HG2 VAL 66 11.578 4.118 -2.042 545 H GLN 67 H GLN 67 11.733 4.832 -5.531 546 HA GLN 67 HA GLN 67 13.951 2.892 -5.311 547 HB2 GLN 67 1HB GLN 67 13.414 5.349 -6.952 548 HB3 GLN 67 2HB GLN 67 15.081 4.813 -6.745 549 HG2 GLN 67 1HG GLN 67 14.471 2.577 -7.583 550 HG3 GLN 67 2HG GLN 67 12.807 3.108 -7.794 551 HE21 GLN 67 2HE2 GLN 67 13.451 5.785 -8.807 552 HE22 GLN 67 1HE2 GLN 67 14.115 5.581 -10.356 553 HA PRO 68 HA PRO 68 16.133 4.841 -1.942 554 HB2 PRO 68 1HB PRO 68 18.480 5.183 -3.776 555 HB3 PRO 68 2HB PRO 68 18.399 4.400 -2.187 556 HG2 PRO 68 1HG PRO 68 18.544 3.013 -4.502 557 HG3 PRO 68 2HG PRO 68 17.720 2.398 -3.060 558 HD2 PRO 68 1HD PRO 68 16.546 3.368 -5.609 559 HD3 PRO 68 2HD PRO 68 15.852 2.293 -4.372 560 H GLU 69 H GLU 69 16.192 6.336 -5.122 561 HA GLU 69 HA GLU 69 16.867 9.000 -4.026 562 HB2 GLU 69 1HB GLU 69 16.397 9.576 -6.569 563 HB3 GLU 69 2HB GLU 69 17.880 8.736 -6.113 564 HG2 GLU 69 1HG GLU 69 17.002 6.615 -6.758 565 HG3 GLU 69 2HG GLU 69 15.363 7.251 -6.877 566 H LEU 70 H LEU 70 14.088 7.208 -5.247 567 HA LEU 70 HA LEU 70 12.353 9.596 -5.157 568 HB2 LEU 70 1HB LEU 70 11.785 6.678 -5.751 569 HB3 LEU 70 2HB LEU 70 10.589 7.966 -5.859 570 HG LEU 70 HG LEU 70 13.188 7.894 -7.423 571 HD11 LEU 70 1HD1 LEU 70 10.395 7.411 -8.486 572 HD12 LEU 70 2HD1 LEU 70 11.470 6.102 -8.000 573 HD13 LEU 70 3HD1 LEU 70 11.930 7.172 -9.323 574 HD21 LEU 70 3HD2 LEU 70 12.612 10.154 -7.386 575 HD22 LEU 70 1HD2 LEU 70 10.885 9.824 -7.253 576 HD23 LEU 70 2HD2 LEU 70 11.707 9.623 -8.799 577 H VAL 71 H VAL 71 13.541 7.404 -2.927 578 HA VAL 71 HA VAL 71 11.189 6.921 -1.334 579 HB VAL 71 HB VAL 71 13.393 5.668 -1.199 580 HG11 VAL 71 1HG1 VAL 71 14.287 7.886 0.642 581 HG12 VAL 71 2HG1 VAL 71 14.679 7.933 -1.074 582 HG13 VAL 71 3HG1 VAL 71 15.248 6.594 -0.078 583 HG21 VAL 71 3HG2 VAL 71 12.060 6.811 1.263 584 HG22 VAL 71 1HG2 VAL 71 13.297 5.559 1.360 585 HG23 VAL 71 2HG2 VAL 71 11.787 5.241 0.510 586 H GLY 72 H GLY 72 13.692 9.439 -1.284 587 HA2 GLY 72 1HA GLY 72 12.847 10.722 1.115 588 HA3 GLY 72 2HA GLY 72 13.782 11.491 -0.166 589 H SER 73 H SER 73 11.935 11.349 -2.286 590 HA SER 73 HA SER 73 10.283 13.608 -1.697 591 HB2 SER 73 1HB SER 73 10.863 13.375 -3.956 592 HB3 SER 73 2HB SER 73 10.430 11.667 -3.990 593 HG SER 73 HG SER 73 8.400 12.188 -4.289 594 H LEU 74 H LEU 74 9.707 10.167 -1.430 595 HA LEU 74 HA LEU 74 6.788 10.529 -1.159 596 HB2 LEU 74 1HB LEU 74 7.713 8.518 -2.246 597 HB3 LEU 74 2HB LEU 74 8.537 8.093 -0.752 598 HG LEU 74 HG LEU 74 5.776 8.557 -0.066 599 HD11 LEU 74 1HD1 LEU 74 5.181 8.219 -2.402 600 HD12 LEU 74 2HD1 LEU 74 4.662 6.836 -1.446 601 HD13 LEU 74 3HD1 LEU 74 6.105 6.720 -2.452 602 HD21 LEU 74 3HD2 LEU 74 5.865 6.089 0.439 603 HD22 LEU 74 1HD2 LEU 74 7.183 7.028 1.142 604 HD23 LEU 74 2HD2 LEU 74 7.463 6.058 -0.304 605 H ARG 75 H ARG 75 9.615 10.008 0.902 606 HA ARG 75 HA ARG 75 8.068 9.575 3.334 607 HB2 ARG 75 1HB ARG 75 10.983 10.104 2.745 608 HB3 ARG 75 2HB ARG 75 10.382 10.063 4.403 609 HG2 ARG 75 1HG ARG 75 9.557 7.787 4.092 610 HG3 ARG 75 2HG ARG 75 10.019 7.821 2.394 611 HD2 ARG 75 1HD ARG 75 11.743 6.640 3.629 612 HD3 ARG 75 2HD ARG 75 12.398 8.195 3.111 613 HE ARG 75 HE ARG 75 11.235 8.411 5.737 614 HH11 ARG 75 1HH2 ARG 75 13.940 7.219 3.961 615 HH12 ARG 75 2HH2 ARG 75 15.035 7.339 5.298 616 HH21 ARG 75 1HH1 ARG 75 12.647 8.573 7.485 617 HH22 ARG 75 2HH1 ARG 75 14.304 8.105 7.293 618 H LYS 76 H LYS 76 8.687 12.265 1.448 619 HA LYS 76 HA LYS 76 8.860 14.210 3.645 620 HB2 LYS 76 1HB LYS 76 9.033 15.859 1.944 621 HB3 LYS 76 2HB LYS 76 9.895 14.466 1.309 622 HG2 LYS 76 1HG LYS 76 8.590 14.734 -0.553 623 HG3 LYS 76 2HG LYS 76 7.321 13.973 0.395 624 HD2 LYS 76 1HD LYS 76 6.526 16.184 1.125 625 HD3 LYS 76 2HD LYS 76 7.825 16.959 0.222 626 HE2 LYS 76 1HE LYS 76 6.930 16.014 -1.879 627 HE3 LYS 76 2HE LYS 76 5.628 15.242 -0.975 628 HZ1 LYS 76 3HZ LYS 76 5.428 17.753 -0.116 629 HZ2 LYS 76 1HZ LYS 76 4.555 17.143 -1.435 630 HZ3 LYS 76 2HZ LYS 76 5.983 18.025 -1.698 631 H LYS 77 H LYS 77 6.453 12.361 2.243 632 HA LYS 77 HA LYS 77 4.316 14.370 2.558 633 HB2 LYS 77 1HB LYS 77 4.345 11.536 1.547 634 HB3 LYS 77 2HB LYS 77 2.860 12.464 1.753 635 HG2 LYS 77 1HG LYS 77 3.939 14.271 0.312 636 HG3 LYS 77 2HG LYS 77 5.199 13.094 -0.058 637 HD2 LYS 77 1HD LYS 77 3.379 11.528 -0.835 638 HD3 LYS 77 2HD LYS 77 2.241 12.865 -0.649 639 HE2 LYS 77 1HE LYS 77 4.747 13.042 -2.342 640 HE3 LYS 77 2HE LYS 77 3.169 12.599 -2.990 641 HZ1 LYS 77 3HZ LYS 77 3.614 15.085 -1.443 642 HZ2 LYS 77 1HZ LYS 77 2.283 14.684 -2.416 643 HZ3 LYS 77 2HZ LYS 77 3.787 15.018 -3.133 644 HA PRO 78 HA PRO 78 3.988 12.988 6.907 645 HB2 PRO 78 1HB PRO 78 1.368 14.418 6.623 646 HB3 PRO 78 2HB PRO 78 2.595 14.555 7.899 647 HG2 PRO 78 1HG PRO 78 2.328 16.430 6.025 648 HG3 PRO 78 2HG PRO 78 3.921 15.970 6.653 649 HD2 PRO 78 1HD PRO 78 2.687 15.319 4.007 650 HD3 PRO 78 2HD PRO 78 4.396 15.559 4.445 651 H GLY 79 H GLY 79 2.859 11.346 7.969 652 HA2 GLY 79 1HA GLY 79 1.042 9.805 8.305 653 HA3 GLY 79 2HA GLY 79 0.446 10.191 6.699 654 H ILE 80 H ILE 80 3.498 9.921 5.951 655 HA ILE 80 HA ILE 80 3.324 6.971 5.487 656 HB ILE 80 HB ILE 80 5.091 8.950 4.049 657 HG12 ILE 80 1HG1 ILE 80 2.286 7.994 3.413 658 HG13 ILE 80 2HG1 ILE 80 2.771 9.648 3.771 659 HG21 ILE 80 1HG2 ILE 80 5.216 7.176 2.393 660 HG22 ILE 80 2HG2 ILE 80 4.025 6.222 3.271 661 HG23 ILE 80 3HG2 ILE 80 5.621 6.493 3.965 662 HD11 ILE 80 3HD1 ILE 80 4.435 9.222 1.725 663 HD12 ILE 80 1HD1 ILE 80 2.774 9.742 1.465 664 HD13 ILE 80 2HD1 ILE 80 3.201 8.042 1.290 665 H TYR 81 H TYR 81 4.704 5.728 6.634 666 HA TYR 81 HA TYR 81 7.160 7.019 7.738 667 HB2 TYR 81 1HB TYR 81 5.555 4.752 8.916 668 HB3 TYR 81 2HB TYR 81 7.005 5.469 9.621 669 HD1 TYR 81 HD1 TYR 81 3.523 6.215 8.546 670 HD2 TYR 81 HD2 TYR 81 6.890 7.478 10.891 671 HE1 TYR 81 HE1 TYR 81 2.132 7.982 9.587 672 HE2 TYR 81 HE2 TYR 81 5.499 9.246 11.936 673 HH TYR 81 HH TYR 81 2.910 10.454 10.805 674 HA PRO 82 HA PRO 82 9.601 4.028 5.486 675 HB2 PRO 82 1HB PRO 82 11.236 3.627 7.954 676 HB3 PRO 82 2HB PRO 82 11.740 4.151 6.335 677 HG2 PRO 82 1HG PRO 82 11.586 5.847 8.418 678 HG3 PRO 82 2HG PRO 82 11.275 6.347 6.745 679 HD2 PRO 82 1HD PRO 82 9.327 5.903 8.967 680 HD3 PRO 82 2HD PRO 82 9.254 7.005 7.572 681 H ALA 83 H ALA 83 9.837 1.757 5.279 682 HA ALA 83 HA ALA 83 7.938 0.061 6.354 683 HB1 ALA 83 3HB ALA 83 9.802 -0.300 4.508 684 HB2 ALA 83 1HB ALA 83 9.092 -1.684 5.335 685 HB3 ALA 83 2HB ALA 83 10.671 -1.075 5.829 686 H TYR 84 H TYR 84 8.486 -1.971 7.729 687 HA TYR 84 HA TYR 84 9.154 -1.067 10.399 688 HB2 TYR 84 1HB TYR 84 9.032 -4.001 9.740 689 HB3 TYR 84 2HB TYR 84 8.331 -3.127 11.098 690 HD1 TYR 84 HD2 TYR 84 6.272 -1.715 10.737 691 HD2 TYR 84 HD1 TYR 84 7.823 -4.352 7.723 692 HE1 TYR 84 HE2 TYR 84 4.105 -1.630 9.543 693 HE2 TYR 84 HE1 TYR 84 5.653 -4.271 6.531 694 HH TYR 84 HH TYR 84 3.633 -3.352 6.460 695 H HIS 85 H HIS 85 10.556 -3.853 8.651 696 HA HIS 85 HA HIS 85 13.283 -2.911 9.413 697 HB2 HIS 85 1HB HIS 85 12.135 -5.674 9.921 698 HB3 HIS 85 2HB HIS 85 13.834 -5.239 10.115 699 HD1 HIS 85 HD1 HIS 85 14.271 -3.191 11.875 700 HD2 HIS 85 HD2 HIS 85 10.589 -5.127 12.166 701 HE1 HIS 85 HE1 HIS 85 13.323 -2.590 14.145 702 H MET 86 H MET 86 14.835 -3.378 7.930 703 HA MET 86 HA MET 86 15.760 -3.914 5.866 704 HB2 MET 86 1HB MET 86 13.924 -6.310 6.163 705 HB3 MET 86 2HB MET 86 15.215 -6.170 4.972 706 HG2 MET 86 1HG MET 86 15.619 -5.972 7.966 707 HG3 MET 86 2HG MET 86 15.918 -7.425 7.019 708 HE1 MET 86 3HE MET 86 17.581 -7.837 5.439 709 HE2 MET 86 1HE MET 86 18.998 -6.862 5.035 710 HE3 MET 86 2HE MET 86 17.436 -6.492 4.313 711 H ASN 87 H ASN 87 15.394 -3.877 3.595 712 HA ASN 87 HA ASN 87 14.324 -3.054 1.699 713 HB2 ASN 87 1HB ASN 87 12.039 -4.535 3.022 714 HB3 ASN 87 2HB ASN 87 11.900 -3.772 1.438 715 HD21 ASN 87 2HD2 ASN 87 12.055 -6.747 2.370 716 HD22 ASN 87 1HD2 ASN 87 13.240 -7.410 1.350 717 H LYS 88 H LYS 88 14.546 -1.351 4.032 718 HA LYS 88 HA LYS 88 12.155 0.138 4.524 719 HB2 LYS 88 1HB LYS 88 14.285 0.244 5.865 720 HB3 LYS 88 2HB LYS 88 15.000 1.160 4.539 721 HG2 LYS 88 1HG LYS 88 13.353 2.923 4.791 722 HG3 LYS 88 2HG LYS 88 12.479 1.980 5.998 723 HD2 LYS 88 1HD LYS 88 13.799 3.553 7.233 724 HD3 LYS 88 2HD LYS 88 14.616 2.001 7.388 725 HE2 LYS 88 1HE LYS 88 16.283 2.611 5.786 726 HE3 LYS 88 2HE LYS 88 15.360 4.016 5.253 727 HZ1 LYS 88 3HZ LYS 88 16.558 3.636 7.945 728 HZ2 LYS 88 1HZ LYS 88 15.652 4.983 7.455 729 HZ3 LYS 88 2HZ LYS 88 17.154 4.659 6.727 730 H GLU 89 H GLU 89 14.830 0.662 2.223 731 HA GLU 89 HA GLU 89 13.478 2.935 0.982 732 HB2 GLU 89 1HB GLU 89 15.366 2.873 -0.606 733 HB3 GLU 89 2HB GLU 89 15.943 2.795 1.060 734 HG2 GLU 89 1HG GLU 89 16.075 0.310 0.866 735 HG3 GLU 89 2HG GLU 89 15.595 0.441 -0.824 736 H HIS 90 H HIS 90 13.915 -0.505 0.310 737 HA HIS 90 HA HIS 90 12.839 -0.458 -2.343 738 HB2 HIS 90 1HB HIS 90 13.073 -2.626 -0.250 739 HB3 HIS 90 2HB HIS 90 12.400 -2.930 -1.852 740 HD1 HIS 90 HD1 HIS 90 14.079 -2.094 -3.897 741 HD2 HIS 90 HD2 HIS 90 15.823 -2.863 -0.190 742 HE1 HIS 90 HE1 HIS 90 16.558 -2.399 -4.321 743 H TRP 91 H TRP 91 11.299 -1.286 0.792 744 HA TRP 91 HA TRP 91 8.629 -0.784 -0.494 745 HB2 TRP 91 1HB TRP 91 9.119 -2.499 1.948 746 HB3 TRP 91 2HB TRP 91 7.655 -2.389 0.972 747 HD1 TRP 91 HD1 TRP 91 9.215 -2.531 -1.882 748 HE1 TRP 91 HE1 TRP 91 10.094 -4.816 -2.662 749 HE3 TRP 91 HE3 TRP 91 9.345 -4.995 2.591 750 HZ2 TRP 91 HZ2 TRP 91 10.759 -7.359 -1.546 751 HZ3 TRP 91 HZ3 TRP 91 10.101 -7.353 2.699 752 HH2 TRP 91 HH2 TRP 91 10.807 -8.538 0.637 753 H ILE 92 H ILE 92 7.068 0.337 0.758 754 HA ILE 92 HA ILE 92 8.072 1.664 3.237 755 HB ILE 92 HB ILE 92 6.513 3.173 1.129 756 HG12 ILE 92 1HG1 ILE 92 8.759 2.340 0.211 757 HG13 ILE 92 2HG1 ILE 92 8.501 4.067 0.189 758 HG21 ILE 92 1HG2 ILE 92 8.155 3.944 3.552 759 HG22 ILE 92 2HG2 ILE 92 6.439 4.223 3.265 760 HG23 ILE 92 3HG2 ILE 92 7.644 5.109 2.336 761 HD11 ILE 92 3HD1 ILE 92 9.892 2.783 2.524 762 HD12 ILE 92 1HD1 ILE 92 9.966 4.454 1.980 763 HD13 ILE 92 2HD1 ILE 92 10.778 3.188 1.063 764 H THR 93 H THR 93 6.357 2.500 4.591 765 HA THR 93 HA THR 93 3.809 0.968 4.222 766 HB THR 93 HB THR 93 3.582 1.548 6.723 767 HG1 THR 93 HG1 THR 93 5.086 3.052 7.069 768 HG21 THR 93 3HG2 THR 93 5.290 -0.253 7.319 769 HG22 THR 93 1HG2 THR 93 5.748 -0.247 5.616 770 HG23 THR 93 2HG2 THR 93 4.109 -0.696 6.087 771 H VAL 94 H VAL 94 2.066 2.142 3.638 772 HA VAL 94 HA VAL 94 2.124 5.111 4.051 773 HB VAL 94 HB VAL 94 0.418 3.466 2.163 774 HG11 VAL 94 1HG1 VAL 94 -0.112 5.615 1.146 775 HG12 VAL 94 2HG1 VAL 94 0.978 6.445 2.253 776 HG13 VAL 94 3HG1 VAL 94 -0.495 5.695 2.864 777 HG21 VAL 94 3HG2 VAL 94 1.934 4.185 0.407 778 HG22 VAL 94 1HG2 VAL 94 2.875 3.380 1.661 779 HG23 VAL 94 2HG2 VAL 94 2.869 5.140 1.555 780 H LEU 95 H LEU 95 0.647 5.972 5.440 781 HA LEU 95 HA LEU 95 -1.248 4.130 6.751 782 HB2 LEU 95 1HB LEU 95 0.168 5.732 8.055 783 HB3 LEU 95 2HB LEU 95 -0.716 7.056 7.303 784 HG LEU 95 HG LEU 95 -2.837 6.126 8.227 785 HD11 LEU 95 1HD1 LEU 95 -0.945 4.025 9.234 786 HD12 LEU 95 2HD1 LEU 95 -2.591 3.856 8.624 787 HD13 LEU 95 3HD1 LEU 95 -2.317 4.469 10.250 788 HD21 LEU 95 3HD2 LEU 95 -0.695 6.623 10.322 789 HD22 LEU 95 1HD2 LEU 95 -2.432 6.856 10.528 790 HD23 LEU 95 2HD2 LEU 95 -1.530 7.885 9.416 791 H LEU 96 H LEU 96 -3.052 3.810 5.520 792 HA LEU 96 HA LEU 96 -4.264 5.801 3.828 793 HB2 LEU 96 1HB LEU 96 -5.289 3.219 5.024 794 HB3 LEU 96 2HB LEU 96 -6.231 4.191 3.896 795 HG LEU 96 HG LEU 96 -3.451 3.118 3.312 796 HD11 LEU 96 1HD1 LEU 96 -6.200 1.995 2.751 797 HD12 LEU 96 2HD1 LEU 96 -4.805 1.187 3.468 798 HD13 LEU 96 3HD1 LEU 96 -4.813 1.573 1.747 799 HD21 LEU 96 3HD2 LEU 96 -3.722 4.863 1.793 800 HD22 LEU 96 1HD2 LEU 96 -5.479 4.719 1.764 801 HD23 LEU 96 2HD2 LEU 96 -4.482 3.562 0.887 802 H ASN 97 H ASN 97 -4.855 4.713 7.140 803 HA ASN 97 HA ASN 97 -7.212 6.312 7.560 804 HB2 ASN 97 1HB ASN 97 -6.554 4.349 8.957 805 HB3 ASN 97 2HB ASN 97 -5.208 5.295 9.594 806 HD21 ASN 97 2HD2 ASN 97 -6.085 5.308 11.778 807 HD22 ASN 97 1HD2 ASN 97 -7.462 6.216 12.178 808 H GLY 98 H GLY 98 -4.020 7.161 7.075 809 HA2 GLY 98 1HA GLY 98 -3.836 9.370 8.956 810 HA3 GLY 98 2HA GLY 98 -2.728 9.034 7.631 811 HA PRO 99 HA PRO 99 -5.271 12.696 6.340 812 HB2 PRO 99 1HB PRO 99 -3.255 14.444 5.922 813 HB3 PRO 99 2HB PRO 99 -3.850 14.097 7.559 814 HG2 PRO 99 1HG PRO 99 -1.407 13.075 6.180 815 HG3 PRO 99 2HG PRO 99 -1.619 13.578 7.868 816 HD2 PRO 99 1HD PRO 99 -1.665 10.935 6.988 817 HD3 PRO 99 2HD PRO 99 -2.376 11.491 8.516 818 H LEU 100 H LEU 100 -3.351 10.475 4.883 819 HA LEU 100 HA LEU 100 -2.576 11.689 2.432 820 HB2 LEU 100 1HB LEU 100 -3.103 8.880 3.344 821 HB3 LEU 100 2HB LEU 100 -2.905 9.168 1.618 822 HG LEU 100 HG LEU 100 -0.768 8.577 2.784 823 HD11 LEU 100 1HD1 LEU 100 -1.105 10.367 0.765 824 HD12 LEU 100 2HD1 LEU 100 0.468 9.930 1.409 825 HD13 LEU 100 3HD1 LEU 100 -0.316 11.409 1.950 826 HD21 LEU 100 3HD2 LEU 100 0.199 10.005 4.408 827 HD22 LEU 100 1HD2 LEU 100 -1.488 9.845 4.900 828 HD23 LEU 100 2HD2 LEU 100 -0.947 11.306 4.071 829 H GLY 101 H GLY 101 -3.691 12.285 0.675 830 HA2 GLY 101 1HA GLY 101 -6.624 11.988 0.691 831 HA3 GLY 101 2HA GLY 101 -5.684 13.000 -0.403 832 H ALA 102 H ALA 102 -7.785 11.145 -1.135 833 HA ALA 102 HA ALA 102 -6.789 8.693 -2.204 834 HB1 ALA 102 3HB ALA 102 -9.064 10.504 -3.050 835 HB2 ALA 102 1HB ALA 102 -9.169 9.073 -2.025 836 HB3 ALA 102 2HB ALA 102 -8.789 8.903 -3.740 837 H LYS 103 H LYS 103 -6.985 11.977 -3.571 838 HA LYS 103 HA LYS 103 -6.060 11.285 -6.197 839 HB2 LYS 103 1HB LYS 103 -5.881 13.868 -4.622 840 HB3 LYS 103 2HB LYS 103 -5.444 13.723 -6.324 841 HG2 LYS 103 1HG LYS 103 -7.733 12.949 -6.847 842 HG3 LYS 103 2HG LYS 103 -8.168 13.102 -5.144 843 HD2 LYS 103 1HD LYS 103 -7.667 15.515 -5.221 844 HD3 LYS 103 2HD LYS 103 -7.220 15.370 -6.922 845 HE2 LYS 103 1HE LYS 103 -9.499 14.612 -7.466 846 HE3 LYS 103 2HE LYS 103 -9.951 14.732 -5.765 847 HZ1 LYS 103 3HZ LYS 103 -10.080 16.729 -7.650 848 HZ2 LYS 103 1HZ LYS 103 -8.748 17.138 -6.684 849 HZ3 LYS 103 2HZ LYS 103 -10.272 16.900 -5.971 850 H GLU 104 H GLU 104 -4.374 12.314 -3.242 851 HA GLU 104 HA GLU 104 -1.746 12.397 -4.393 852 HB2 GLU 104 1HB GLU 104 -2.649 11.900 -1.540 853 HB3 GLU 104 2HB GLU 104 -0.987 12.242 -2.018 854 HG2 GLU 104 1HG GLU 104 -3.324 14.088 -2.596 855 HG3 GLU 104 2HG GLU 104 -2.254 14.261 -1.207 856 H ILE 105 H ILE 105 -3.539 9.850 -2.664 857 HA ILE 105 HA ILE 105 -1.440 7.898 -2.718 858 HB ILE 105 HB ILE 105 -4.456 7.615 -2.590 859 HG12 ILE 105 1HG1 ILE 105 -2.369 7.254 -0.421 860 HG13 ILE 105 2HG1 ILE 105 -3.204 8.783 -0.707 861 HG21 ILE 105 1HG2 ILE 105 -3.843 5.307 -1.658 862 HG22 ILE 105 2HG2 ILE 105 -2.246 5.563 -2.362 863 HG23 ILE 105 3HG2 ILE 105 -3.671 5.518 -3.400 864 HD11 ILE 105 3HD1 ILE 105 -5.353 7.775 -0.257 865 HD12 ILE 105 1HD1 ILE 105 -4.274 7.340 1.069 866 HD13 ILE 105 2HD1 ILE 105 -4.639 6.163 -0.193 867 H HIS 106 H HIS 106 -4.145 8.576 -4.929 868 HA HIS 106 HA HIS 106 -3.706 6.426 -6.739 869 HB2 HIS 106 1HB HIS 106 -4.824 9.207 -7.160 870 HB3 HIS 106 2HB HIS 106 -4.853 7.955 -8.399 871 HD1 HIS 106 HD1 HIS 106 -7.573 8.666 -7.757 872 HD2 HIS 106 HD2 HIS 106 -5.489 6.068 -5.249 873 HE1 HIS 106 HE1 HIS 106 -9.318 7.397 -6.431 874 H SER 107 H SER 107 -2.383 9.737 -6.701 875 HA SER 107 HA SER 107 -0.917 9.540 -9.142 876 HB2 SER 107 1HB SER 107 0.394 11.439 -8.236 877 HB3 SER 107 2HB SER 107 -1.337 11.678 -8.008 878 HG SER 107 HG SER 107 -0.938 11.768 -5.956 879 H LEU 108 H LEU 108 0.012 8.812 -5.777 880 HA LEU 108 HA LEU 108 2.742 8.156 -6.359 881 HB2 LEU 108 1HB LEU 108 0.887 7.272 -4.136 882 HB3 LEU 108 2HB LEU 108 2.610 6.902 -4.171 883 HG LEU 108 HG LEU 108 1.446 9.700 -4.275 884 HD11 LEU 108 1HD1 LEU 108 1.993 9.925 -1.961 885 HD12 LEU 108 2HD1 LEU 108 2.867 8.392 -1.944 886 HD13 LEU 108 3HD1 LEU 108 1.111 8.405 -2.107 887 HD21 LEU 108 3HD2 LEU 108 4.215 8.582 -4.466 888 HD22 LEU 108 1HD2 LEU 108 4.022 10.038 -3.485 889 HD23 LEU 108 2HD2 LEU 108 3.537 10.040 -5.180 890 H ILE 109 H ILE 109 -0.209 6.180 -6.216 891 HA ILE 109 HA ILE 109 1.072 3.659 -6.662 892 HB ILE 109 HB ILE 109 -1.728 4.630 -7.298 893 HG12 ILE 109 1HG1 ILE 109 -0.764 2.782 -5.098 894 HG13 ILE 109 2HG1 ILE 109 -0.904 4.528 -4.883 895 HG21 ILE 109 1HG2 ILE 109 -2.169 2.072 -7.262 896 HG22 ILE 109 2HG2 ILE 109 -0.438 1.909 -7.550 897 HG23 ILE 109 3HG2 ILE 109 -1.451 2.761 -8.718 898 HD11 ILE 109 3HD1 ILE 109 -2.944 3.398 -4.096 899 HD12 ILE 109 1HD1 ILE 109 -3.156 2.660 -5.684 900 HD13 ILE 109 2HD1 ILE 109 -3.297 4.408 -5.497 901 H GLU 110 H GLU 110 -0.316 6.063 -8.891 902 HA GLU 110 HA GLU 110 0.101 4.590 -11.298 903 HB2 GLU 110 1HB GLU 110 -1.263 6.677 -11.116 904 HB3 GLU 110 2HB GLU 110 0.229 7.595 -10.905 905 HG2 GLU 110 1HG GLU 110 1.028 6.833 -13.103 906 HG3 GLU 110 2HG GLU 110 -0.446 5.890 -13.322 907 H ASP 111 H ASP 111 2.193 6.841 -9.502 908 HA ASP 111 HA ASP 111 4.375 6.811 -11.364 909 HB2 ASP 111 1HB ASP 111 4.253 7.286 -8.375 910 HB3 ASP 111 2HB ASP 111 5.731 7.468 -9.320 911 H SER 112 H SER 112 3.566 4.805 -8.546 912 HA SER 112 HA SER 112 5.949 3.208 -8.602 913 HB2 SER 112 1HB SER 112 4.688 1.659 -7.180 914 HB3 SER 112 2HB SER 112 4.408 3.318 -6.661 915 HG SER 112 HG SER 112 2.676 1.478 -7.689 916 H PHE 113 H PHE 113 2.844 2.983 -10.274 917 HA PHE 113 HA PHE 113 3.107 0.328 -11.281 918 HB2 PHE 113 1HB PHE 113 1.011 1.605 -11.432 919 HB3 PHE 113 2HB PHE 113 1.774 2.744 -12.543 920 HD1 PHE 113 HD2 PHE 113 0.830 -0.836 -12.115 921 HD2 PHE 113 HD1 PHE 113 1.950 2.268 -14.866 922 HE1 PHE 113 HE2 PHE 113 0.290 -2.329 -14.019 923 HE2 PHE 113 HE1 PHE 113 1.410 0.773 -16.771 924 HZ PHE 113 HZ PHE 113 0.581 -1.525 -16.347 925 H GLN 114 H GLN 114 4.069 3.457 -12.725 926 HA GLN 114 HA GLN 114 5.281 2.212 -15.035 927 HB2 GLN 114 1HB GLN 114 5.538 4.986 -13.853 928 HB3 GLN 114 2HB GLN 114 6.292 4.497 -15.372 929 HG2 GLN 114 1HG GLN 114 4.106 3.952 -16.323 930 HG3 GLN 114 2HG GLN 114 3.320 4.328 -14.790 931 HE21 GLN 114 2HE2 GLN 114 2.226 5.870 -16.592 932 HE22 GLN 114 1HE2 GLN 114 2.902 7.425 -16.684 933 H LEU 115 H LEU 115 6.382 3.082 -11.823 934 HA LEU 115 HA LEU 115 9.191 3.024 -12.294 935 HB2 LEU 115 1HB LEU 115 8.084 3.869 -10.216 936 HB3 LEU 115 2HB LEU 115 7.687 2.210 -9.796 937 HG LEU 115 HG LEU 115 10.099 1.648 -9.827 938 HD11 LEU 115 1HD1 LEU 115 11.591 3.836 -9.631 939 HD12 LEU 115 2HD1 LEU 115 10.313 4.533 -10.620 940 HD13 LEU 115 3HD1 LEU 115 11.223 3.139 -11.205 941 HD21 LEU 115 3HD2 LEU 115 10.550 2.513 -7.677 942 HD22 LEU 115 1HD2 LEU 115 8.789 2.522 -7.768 943 HD23 LEU 115 2HD2 LEU 115 9.693 4.017 -8.004 944 H THR 116 H THR 116 6.871 0.496 -11.393 945 HA THR 116 HA THR 116 9.012 -1.547 -11.575 946 HB THR 116 HB THR 116 7.351 -3.062 -10.605 947 HG1 THR 116 HG1 THR 116 5.417 -2.498 -11.274 948 HG21 THR 116 3HG2 THR 116 7.501 -0.353 -9.256 949 HG22 THR 116 1HG2 THR 116 8.633 -1.691 -9.054 950 HG23 THR 116 2HG2 THR 116 6.978 -1.837 -8.457 951 H ARG 117 H ARG 117 7.449 0.006 -13.804 952 HA ARG 117 HA ARG 117 5.772 -1.518 -15.350 953 HB2 ARG 117 1HB ARG 117 6.693 0.698 -16.004 954 HB3 ARG 117 2HB ARG 117 8.222 -0.063 -16.401 955 HG2 ARG 117 1HG ARG 117 7.063 -1.475 -18.085 956 HG3 ARG 117 2HG ARG 117 5.546 -0.671 -17.697 957 HD2 ARG 117 1HD ARG 117 6.613 1.510 -18.324 958 HD3 ARG 117 2HD ARG 117 8.038 0.615 -18.849 959 HE ARG 117 HE ARG 117 5.424 0.685 -20.215 960 HH11 ARG 117 1HH2 ARG 117 8.521 -0.799 -19.818 961 HH12 ARG 117 2HH2 ARG 117 8.519 -1.518 -21.393 962 HH21 ARG 117 1HH1 ARG 117 5.415 -0.250 -22.265 963 HH22 ARG 117 2HH1 ARG 117 6.763 -1.210 -22.776 964 H LEU 118 H LEU 118 8.932 -1.599 -16.814 965 HA LEU 118 HA LEU 118 9.412 -4.404 -16.220 966 HB2 LEU 118 1HB LEU 118 7.925 -3.565 -18.613 967 HB3 LEU 118 2HB LEU 118 9.368 -4.471 -19.044 968 HG LEU 118 HG LEU 118 7.500 -5.503 -16.906 969 HD11 LEU 118 1HD1 LEU 118 6.317 -6.788 -18.618 970 HD12 LEU 118 2HD1 LEU 118 7.271 -6.005 -19.880 971 HD13 LEU 118 3HD1 LEU 118 6.141 -5.057 -18.914 972 HD21 LEU 118 3HD2 LEU 118 8.457 -7.663 -17.639 973 HD22 LEU 118 1HD2 LEU 118 9.720 -6.538 -17.138 974 HD23 LEU 118 2HD2 LEU 118 9.417 -6.817 -18.854 975 H GLU 119 H GLU 119 11.454 -3.696 -15.561 976 HA GLU 119 HA GLU 119 13.295 -2.955 -17.788 977 HB2 GLU 119 1HB GLU 119 13.136 -1.597 -15.075 978 HB3 GLU 119 2HB GLU 119 14.449 -1.364 -16.232 979 HG2 GLU 119 1HG GLU 119 11.526 -0.813 -16.807 980 HG3 GLU 119 2HG GLU 119 12.713 0.419 -16.385 981 H HIS 120 H HIS 120 13.818 -5.223 -17.657 982 HA HIS 120 HA HIS 120 15.905 -5.737 -15.647 983 HB2 HIS 120 1HB HIS 120 13.776 -6.596 -14.616 984 HB3 HIS 120 2HB HIS 120 13.591 -7.669 -16.005 985 HD1 HIS 120 HD1 HIS 120 16.256 -6.888 -13.380 986 HD2 HIS 120 HD2 HIS 120 14.857 -10.099 -15.643 987 HE1 HIS 120 HE1 HIS 120 17.576 -8.917 -12.637 988 H HIS 121 H HIS 121 13.942 -7.481 -18.063 989 HA HIS 121 HA HIS 121 16.330 -8.834 -19.101 990 HB2 HIS 121 1HB HIS 121 13.426 -8.877 -19.954 991 HB3 HIS 121 2HB HIS 121 14.691 -9.844 -20.711 992 HD1 HIS 121 HD1 HIS 121 15.943 -11.586 -19.099 993 HD2 HIS 121 HD2 HIS 121 12.433 -9.937 -17.572 994 HE1 HIS 121 HE1 HIS 121 15.262 -13.041 -17.142 995 H HIS 122 H HIS 122 17.384 -8.351 -21.009 996 HA HIS 122 HA HIS 122 16.226 -6.390 -22.899 997 HB2 HIS 122 1HB HIS 122 18.872 -5.971 -21.471 998 HB3 HIS 122 2HB HIS 122 18.317 -5.023 -22.849 999 HD1 HIS 122 HD1 HIS 122 16.029 -3.649 -22.457 1000 HD2 HIS 122 HD2 HIS 122 17.850 -5.133 -19.014 1001 HE1 HIS 122 HE1 HIS 122 14.991 -2.410 -20.508 1002 H HIS 123 H HIS 123 18.542 -8.839 -22.036 1003 HA HIS 123 HA HIS 123 19.988 -8.934 -24.521 1004 HB2 HIS 123 1HB HIS 123 19.483 -11.021 -22.387 1005 HB3 HIS 123 2HB HIS 123 20.575 -11.261 -23.751 1006 HD1 HIS 123 HD1 HIS 123 22.485 -9.274 -23.967 1007 HD2 HIS 123 HD2 HIS 123 20.711 -9.798 -20.233 1008 HE1 HIS 123 HE1 HIS 123 23.998 -8.132 -22.290 1009 H HIS 124 H HIS 124 17.059 -10.557 -23.353 1010 HA HIS 124 HA HIS 124 16.741 -12.313 -25.598 1011 HB2 HIS 124 1HB HIS 124 15.564 -12.544 -23.403 1012 HB3 HIS 124 2HB HIS 124 14.595 -11.130 -23.811 1013 HD1 HIS 124 HD1 HIS 124 12.549 -11.522 -25.215 1014 HD2 HIS 124 HD2 HIS 124 15.143 -14.786 -25.289 1015 HE1 HIS 124 HE1 HIS 124 11.343 -13.369 -26.460 1016 H HIS 125 H HIS 125 15.518 -9.029 -24.929 1017 HA HIS 125 HA HIS 125 15.437 -8.351 -27.721 1018 HB2 HIS 125 1HB HIS 125 12.997 -8.157 -28.001 1019 HB3 HIS 125 2HB HIS 125 13.446 -9.833 -27.683 1020 HD1 HIS 125 HD1 HIS 125 13.926 -8.912 -24.504 1021 HD2 HIS 125 HD2 HIS 125 10.429 -8.802 -26.770 1022 HE1 HIS 125 HE1 HIS 125 12.003 -8.927 -22.856 Start of MODEL 5 1 H1 MET 1 1H MET 1 -9.820 8.747 1.851 2 H2 MET 1 2H MET 1 -8.138 8.528 1.753 3 H3 MET 1 3H MET 1 -9.007 7.879 3.061 4 HA MET 1 HA MET 1 -10.071 6.949 0.597 5 HB2 MET 1 1HB MET 1 -7.693 7.341 -0.116 6 HB3 MET 1 2HB MET 1 -7.172 6.266 1.181 7 HG2 MET 1 1HG MET 1 -7.289 4.961 -0.849 8 HG3 MET 1 2HG MET 1 -8.634 4.472 0.174 9 HE1 MET 1 3HE MET 1 -7.836 4.682 -3.213 10 HE2 MET 1 1HE MET 1 -7.444 6.389 -2.958 11 HE3 MET 1 2HE MET 1 -8.767 5.935 -4.028 12 H ASN 2 H ASN 2 -10.883 4.893 1.028 13 HA ASN 2 HA ASN 2 -10.459 3.863 3.807 14 HB2 ASN 2 1HB ASN 2 -12.783 4.449 3.161 15 HB3 ASN 2 2HB ASN 2 -12.689 3.292 1.835 16 HD21 ASN 2 2HD2 ASN 2 -13.042 3.612 5.316 17 HD22 ASN 2 1HD2 ASN 2 -13.302 1.965 5.631 18 H ARG 3 H ARG 3 -10.501 1.470 4.028 19 HA ARG 3 HA ARG 3 -8.546 0.191 2.393 20 HB2 ARG 3 1HB ARG 3 -9.091 -0.478 4.727 21 HB3 ARG 3 2HB ARG 3 -10.650 -1.086 4.173 22 HG2 ARG 3 1HG ARG 3 -9.501 -2.685 2.689 23 HG3 ARG 3 2HG ARG 3 -7.943 -2.066 3.237 24 HD2 ARG 3 1HD ARG 3 -8.454 -2.757 5.537 25 HD3 ARG 3 2HD ARG 3 -10.037 -3.339 5.023 26 HE ARG 3 HE ARG 3 -8.159 -4.662 3.407 27 HH11 ARG 3 1HH2 ARG 3 -8.956 -4.322 6.747 28 HH12 ARG 3 2HH2 ARG 3 -8.385 -5.900 7.177 29 HH21 ARG 3 1HH1 ARG 3 -7.407 -6.714 3.949 30 HH22 ARG 3 2HH1 ARG 3 -7.507 -7.255 5.590 31 H GLN 4 H GLN 4 -12.097 -0.033 2.409 32 HA GLN 4 HA GLN 4 -12.302 -2.033 0.376 33 HB2 GLN 4 1HB GLN 4 -14.147 -1.303 1.931 34 HB3 GLN 4 2HB GLN 4 -14.290 0.176 0.981 35 HG2 GLN 4 1HG GLN 4 -15.939 -1.392 0.162 36 HG3 GLN 4 2HG GLN 4 -14.669 -1.261 -1.056 37 HE21 GLN 4 2HE2 GLN 4 -14.482 -3.348 -1.924 38 HE22 GLN 4 1HE2 GLN 4 -14.297 -4.760 -1.000 39 H GLN 5 H GLN 5 -12.234 1.518 0.210 40 HA GLN 5 HA GLN 5 -12.722 1.706 -2.608 41 HB2 GLN 5 1HB GLN 5 -11.246 3.558 -0.712 42 HB3 GLN 5 2HB GLN 5 -11.677 3.980 -2.370 43 HG2 GLN 5 1HG GLN 5 -13.683 3.102 -0.273 44 HG3 GLN 5 2HG GLN 5 -13.338 4.790 -0.658 45 HE21 GLN 5 2HE2 GLN 5 -15.682 2.644 -1.232 46 HE22 GLN 5 1HE2 GLN 5 -16.095 3.025 -2.835 47 H PHE 6 H PHE 6 -9.715 1.481 -0.719 48 HA PHE 6 HA PHE 6 -7.911 1.775 -2.905 49 HB2 PHE 6 1HB PHE 6 -7.171 1.874 -0.564 50 HB3 PHE 6 2HB PHE 6 -7.576 0.170 -0.355 51 HD1 PHE 6 HD2 PHE 6 -5.341 2.541 -2.136 52 HD2 PHE 6 HD1 PHE 6 -6.153 -1.565 -1.176 53 HE1 PHE 6 HE2 PHE 6 -3.112 1.896 -3.012 54 HE2 PHE 6 HE1 PHE 6 -3.922 -2.211 -2.048 55 HZ PHE 6 HZ PHE 6 -2.402 -0.481 -2.967 56 H ILE 7 H ILE 7 -9.380 -1.147 -1.480 57 HA ILE 7 HA ILE 7 -8.052 -3.018 -3.175 58 HB ILE 7 HB ILE 7 -10.764 -3.142 -1.816 59 HG12 ILE 7 1HG1 ILE 7 -8.115 -4.408 -1.062 60 HG13 ILE 7 2HG1 ILE 7 -8.685 -2.879 -0.401 61 HG21 ILE 7 1HG2 ILE 7 -10.430 -5.643 -2.095 62 HG22 ILE 7 2HG2 ILE 7 -9.128 -5.270 -3.223 63 HG23 ILE 7 3HG2 ILE 7 -10.780 -4.776 -3.589 64 HD11 ILE 7 3HD1 ILE 7 -10.278 -5.449 -0.252 65 HD12 ILE 7 1HD1 ILE 7 -10.610 -3.932 0.585 66 HD13 ILE 7 2HD1 ILE 7 -9.201 -4.897 1.031 67 H ASP 8 H ASP 8 -11.179 -1.341 -3.526 68 HA ASP 8 HA ASP 8 -11.899 -2.557 -6.015 69 HB2 ASP 8 1HB ASP 8 -12.635 0.095 -4.749 70 HB3 ASP 8 2HB ASP 8 -13.338 -0.468 -6.267 71 H TYR 9 H TYR 9 -10.155 0.447 -5.262 72 HA TYR 9 HA TYR 9 -9.816 1.304 -7.968 73 HB2 TYR 9 1HB TYR 9 -9.465 2.750 -5.967 74 HB3 TYR 9 2HB TYR 9 -8.005 1.835 -5.594 75 HD1 TYR 9 HD1 TYR 9 -9.571 4.230 -7.906 76 HD2 TYR 9 HD2 TYR 9 -6.001 2.030 -6.981 77 HE1 TYR 9 HE1 TYR 9 -8.286 5.666 -9.465 78 HE2 TYR 9 HE2 TYR 9 -4.714 3.465 -8.541 79 HH TYR 9 HH TYR 9 -4.787 5.476 -9.671 80 H ALA 10 H ALA 10 -7.782 -0.702 -5.847 81 HA ALA 10 HA ALA 10 -5.528 -0.946 -7.533 82 HB1 ALA 10 3HB ALA 10 -5.381 -1.793 -5.302 83 HB2 ALA 10 1HB ALA 10 -5.237 -3.198 -6.362 84 HB3 ALA 10 2HB ALA 10 -6.762 -2.861 -5.546 85 H GLN 11 H GLN 11 -8.305 -3.203 -7.303 86 HA GLN 11 HA GLN 11 -7.441 -4.818 -9.499 87 HB2 GLN 11 1HB GLN 11 -9.754 -5.702 -9.488 88 HB3 GLN 11 2HB GLN 11 -9.083 -5.622 -7.861 89 HG2 GLN 11 1HG GLN 11 -10.237 -3.466 -7.497 90 HG3 GLN 11 2HG GLN 11 -10.938 -3.572 -9.112 91 HE21 GLN 11 2HE2 GLN 11 -10.934 -6.703 -8.379 92 HE22 GLN 11 1HE2 GLN 11 -12.407 -6.855 -7.551 93 H LYS 12 H LYS 12 -9.400 -1.898 -9.326 94 HA LYS 12 HA LYS 12 -10.483 -1.990 -11.953 95 HB2 LYS 12 1HB LYS 12 -11.157 -0.366 -10.175 96 HB3 LYS 12 2HB LYS 12 -9.621 0.469 -10.400 97 HG2 LYS 12 1HG LYS 12 -10.185 0.909 -12.750 98 HG3 LYS 12 2HG LYS 12 -11.711 0.044 -12.552 99 HD2 LYS 12 1HD LYS 12 -12.411 1.661 -10.827 100 HD3 LYS 12 2HD LYS 12 -10.889 2.531 -11.023 101 HE2 LYS 12 1HE LYS 12 -12.638 3.641 -12.321 102 HE3 LYS 12 2HE LYS 12 -11.458 2.922 -13.415 103 HZ1 LYS 12 3HZ LYS 12 -12.907 1.335 -14.094 104 HZ2 LYS 12 1HZ LYS 12 -14.030 2.548 -13.718 105 HZ3 LYS 12 2HZ LYS 12 -13.744 1.286 -12.616 106 H LYS 13 H LYS 13 -7.438 -0.548 -10.767 107 HA LYS 13 HA LYS 13 -6.615 0.126 -13.511 108 HB2 LYS 13 1HB LYS 13 -6.143 1.607 -11.578 109 HB3 LYS 13 2HB LYS 13 -5.087 0.366 -10.910 110 HG2 LYS 13 1HG LYS 13 -3.677 0.462 -12.930 111 HG3 LYS 13 2HG LYS 13 -4.732 1.696 -13.612 112 HD2 LYS 13 1HD LYS 13 -3.401 2.068 -10.925 113 HD3 LYS 13 2HD LYS 13 -2.578 2.493 -12.423 114 HE2 LYS 13 1HE LYS 13 -4.580 3.937 -13.004 115 HE3 LYS 13 2HE LYS 13 -5.176 3.647 -11.372 116 HZ1 LYS 13 3HZ LYS 13 -3.869 5.258 -10.670 117 HZ2 LYS 13 1HZ LYS 13 -3.217 5.471 -12.222 118 HZ3 LYS 13 2HZ LYS 13 -2.508 4.361 -11.148 119 H TYR 14 H TYR 14 -5.680 -2.242 -11.013 120 HA TYR 14 HA TYR 14 -3.576 -3.312 -12.819 121 HB2 TYR 14 1HB TYR 14 -4.360 -3.934 -9.966 122 HB3 TYR 14 2HB TYR 14 -3.143 -4.852 -10.850 123 HD1 TYR 14 HD2 TYR 14 -4.008 -1.498 -9.511 124 HD2 TYR 14 HD1 TYR 14 -0.971 -3.948 -11.309 125 HE1 TYR 14 HE2 TYR 14 -2.306 0.231 -8.996 126 HE2 TYR 14 HE1 TYR 14 0.730 -2.218 -10.793 127 HH TYR 14 HH TYR 14 0.085 0.851 -10.115 128 H ASP 15 H ASP 15 -6.855 -3.799 -12.510 129 HA ASP 15 HA ASP 15 -8.270 -5.662 -12.907 130 HB2 ASP 15 1HB ASP 15 -7.780 -6.751 -15.030 131 HB3 ASP 15 2HB ASP 15 -7.413 -5.033 -15.161 132 H THR 16 H THR 16 -6.348 -6.134 -10.796 133 HA THR 16 HA THR 16 -5.833 -9.079 -11.144 134 HB THR 16 HB THR 16 -3.788 -7.635 -10.894 135 HG1 THR 16 HG1 THR 16 -3.997 -9.839 -10.081 136 HG21 THR 16 3HG2 THR 16 -5.100 -6.054 -9.272 137 HG22 THR 16 1HG2 THR 16 -3.391 -6.363 -8.964 138 HG23 THR 16 2HG2 THR 16 -4.621 -7.216 -8.036 139 H LYS 17 H LYS 17 -6.534 -10.433 -9.478 140 HA LYS 17 HA LYS 17 -8.480 -9.218 -7.592 141 HB2 LYS 17 1HB LYS 17 -7.967 -12.003 -8.630 142 HB3 LYS 17 2HB LYS 17 -8.951 -11.764 -7.187 143 HG2 LYS 17 1HG LYS 17 -10.428 -10.235 -8.460 144 HG3 LYS 17 2HG LYS 17 -9.453 -10.511 -9.905 145 HD2 LYS 17 1HD LYS 17 -9.939 -13.008 -9.563 146 HD3 LYS 17 2HD LYS 17 -11.174 -12.497 -8.413 147 HE2 LYS 17 1HE LYS 17 -12.284 -12.736 -10.523 148 HE3 LYS 17 2HE LYS 17 -12.098 -11.003 -10.256 149 HZ1 LYS 17 3HZ LYS 17 -9.846 -12.203 -11.570 150 HZ2 LYS 17 1HZ LYS 17 -10.728 -10.815 -11.985 151 HZ3 LYS 17 2HZ LYS 17 -11.286 -12.349 -12.461 152 HA PRO 18 HA PRO 18 -5.770 -9.656 -4.105 153 HB2 PRO 18 1HB PRO 18 -7.575 -10.255 -2.098 154 HB3 PRO 18 2HB PRO 18 -7.356 -8.632 -2.771 155 HG2 PRO 18 1HG PRO 18 -9.452 -10.663 -3.388 156 HG3 PRO 18 2HG PRO 18 -9.606 -8.906 -3.203 157 HD2 PRO 18 1HD PRO 18 -9.540 -10.100 -5.648 158 HD3 PRO 18 2HD PRO 18 -8.874 -8.477 -5.371 159 H ASP 19 H ASP 19 -4.704 -11.241 -2.861 160 HA ASP 19 HA ASP 19 -5.738 -14.053 -3.034 161 HB2 ASP 19 1HB ASP 19 -3.971 -13.702 -4.756 162 HB3 ASP 19 2HB ASP 19 -2.868 -13.170 -3.487 163 H HIS 20 H HIS 20 -5.464 -15.208 -1.130 164 HA HIS 20 HA HIS 20 -3.798 -13.956 1.030 165 HB2 HIS 20 1HB HIS 20 -5.595 -14.798 2.629 166 HB3 HIS 20 2HB HIS 20 -6.023 -13.397 1.650 167 HD1 HIS 20 HD1 HIS 20 -7.187 -16.712 2.535 168 HD2 HIS 20 HD2 HIS 20 -7.578 -14.230 -0.792 169 HE1 HIS 20 HE1 HIS 20 -9.170 -17.582 1.221 170 HA PRO 21 HA PRO 21 -2.770 -18.421 0.596 171 HB2 PRO 21 1HB PRO 21 -0.046 -18.158 0.641 172 HB3 PRO 21 2HB PRO 21 -1.007 -17.976 -0.837 173 HG2 PRO 21 1HG PRO 21 0.270 -15.898 0.849 174 HG3 PRO 21 2HG PRO 21 -0.051 -15.902 -0.893 175 HD2 PRO 21 1HD PRO 21 -1.587 -14.566 1.066 176 HD3 PRO 21 2HD PRO 21 -2.086 -14.868 -0.612 177 H TRP 22 H TRP 22 -2.229 -16.004 2.902 178 HA TRP 22 HA TRP 22 -0.955 -17.775 4.893 179 HB2 TRP 22 1HB TRP 22 -1.843 -14.882 4.902 180 HB3 TRP 22 2HB TRP 22 -1.245 -15.690 6.352 181 HD1 TRP 22 HD1 TRP 22 1.187 -17.166 5.694 182 HE1 TRP 22 HE1 TRP 22 3.272 -16.148 4.573 183 HE3 TRP 22 HE3 TRP 22 -0.903 -13.046 3.512 184 HZ2 TRP 22 HZ2 TRP 22 3.964 -13.889 2.964 185 HZ3 TRP 22 HZ3 TRP 22 0.493 -11.481 2.191 186 HH2 TRP 22 HH2 TRP 22 2.923 -11.899 1.913 187 H GLU 23 H GLU 23 -2.398 -19.302 5.591 188 HA GLU 23 HA GLU 23 -5.221 -18.830 5.927 189 HB2 GLU 23 1HB GLU 23 -5.228 -21.023 7.032 190 HB3 GLU 23 2HB GLU 23 -4.237 -21.084 5.573 191 HG2 GLU 23 1HG GLU 23 -2.213 -20.676 6.991 192 HG3 GLU 23 2HG GLU 23 -3.238 -20.787 8.421 193 H LYS 24 H LYS 24 -2.427 -18.607 8.063 194 HA LYS 24 HA LYS 24 -3.907 -18.368 10.518 195 HB2 LYS 24 1HB LYS 24 -1.133 -17.428 9.742 196 HB3 LYS 24 2HB LYS 24 -1.770 -17.360 11.385 197 HG2 LYS 24 1HG LYS 24 -2.124 -19.794 11.361 198 HG3 LYS 24 2HG LYS 24 -1.507 -19.873 9.710 199 HD2 LYS 24 1HD LYS 24 0.671 -19.041 10.448 200 HD3 LYS 24 2HD LYS 24 0.066 -18.860 12.095 201 HE2 LYS 24 1HE LYS 24 1.210 -20.937 12.110 202 HE3 LYS 24 2HE LYS 24 -0.495 -21.371 11.980 203 HZ1 LYS 24 3HZ LYS 24 1.140 -20.975 9.560 204 HZ2 LYS 24 1HZ LYS 24 -0.284 -21.877 9.748 205 HZ3 LYS 24 2HZ LYS 24 1.179 -22.458 10.390 206 H PHE 25 H PHE 25 -3.777 -16.313 7.871 207 HA PHE 25 HA PHE 25 -4.961 -14.121 9.453 208 HB2 PHE 25 1HB PHE 25 -2.534 -13.639 7.706 209 HB3 PHE 25 2HB PHE 25 -3.421 -12.425 8.633 210 HD1 PHE 25 HD1 PHE 25 -1.109 -15.281 8.818 211 HD2 PHE 25 HD2 PHE 25 -3.270 -12.335 11.077 212 HE1 PHE 25 HE1 PHE 25 0.245 -15.829 10.823 213 HE2 PHE 25 HE2 PHE 25 -1.911 -12.877 13.081 214 HZ PHE 25 HZ PHE 25 -0.155 -14.623 12.954 215 HA PRO 26 HA PRO 26 -6.783 -14.763 5.236 216 HB2 PRO 26 1HB PRO 26 -9.416 -14.515 5.966 217 HB3 PRO 26 2HB PRO 26 -8.524 -16.045 6.059 218 HG2 PRO 26 1HG PRO 26 -9.201 -14.115 8.229 219 HG3 PRO 26 2HG PRO 26 -9.169 -15.888 8.264 220 HD2 PRO 26 1HD PRO 26 -7.162 -14.311 9.291 221 HD3 PRO 26 2HD PRO 26 -6.893 -15.969 8.703 222 H ASP 27 H ASP 27 -6.929 -12.294 7.597 223 HA ASP 27 HA ASP 27 -8.404 -10.335 6.033 224 HB2 ASP 27 1HB ASP 27 -8.121 -10.335 8.560 225 HB3 ASP 27 2HB ASP 27 -6.453 -9.827 8.294 226 H TYR 28 H TYR 28 -5.361 -11.699 5.709 227 HA TYR 28 HA TYR 28 -4.003 -9.265 4.743 228 HB2 TYR 28 1HB TYR 28 -3.229 -12.149 5.118 229 HB3 TYR 28 2HB TYR 28 -2.265 -11.143 4.040 230 HD1 TYR 28 HD2 TYR 28 -4.024 -10.191 7.227 231 HD2 TYR 28 HD1 TYR 28 -0.268 -10.744 5.214 232 HE1 TYR 28 HE2 TYR 28 -2.845 -9.195 9.158 233 HE2 TYR 28 HE1 TYR 28 0.911 -9.745 7.151 234 HH TYR 28 HH TYR 28 0.704 -9.038 9.264 235 H ALA 29 H ALA 29 -3.643 -8.779 2.593 236 HA ALA 29 HA ALA 29 -4.747 -10.636 0.518 237 HB1 ALA 29 3HB ALA 29 -6.528 -9.058 0.826 238 HB2 ALA 29 1HB ALA 29 -5.660 -8.535 -0.620 239 HB3 ALA 29 2HB ALA 29 -5.401 -7.705 0.914 240 H VAL 30 H VAL 30 -3.456 -10.744 -1.274 241 HA VAL 30 HA VAL 30 -1.172 -8.803 -1.486 242 HB VAL 30 HB VAL 30 -1.156 -11.616 -2.598 243 HG11 VAL 30 1HG1 VAL 30 0.583 -10.114 -3.412 244 HG12 VAL 30 2HG1 VAL 30 1.309 -11.283 -2.309 245 HG13 VAL 30 3HG1 VAL 30 0.990 -9.639 -1.763 246 HG21 VAL 30 3HG2 VAL 30 -0.530 -10.678 0.209 247 HG22 VAL 30 1HG2 VAL 30 0.179 -12.147 -0.465 248 HG23 VAL 30 2HG2 VAL 30 -1.570 -12.014 -0.286 249 H PHE 31 H PHE 31 -1.218 -7.595 -3.299 250 HA PHE 31 HA PHE 31 -2.954 -8.483 -5.587 251 HB2 PHE 31 1HB PHE 31 -2.013 -5.705 -4.794 252 HB3 PHE 31 2HB PHE 31 -3.042 -6.080 -6.177 253 HD1 PHE 31 HD1 PHE 31 -5.359 -6.805 -5.869 254 HD2 PHE 31 HD2 PHE 31 -2.854 -5.881 -2.507 255 HE1 PHE 31 HE1 PHE 31 -7.351 -6.760 -4.400 256 HE2 PHE 31 HE2 PHE 31 -4.848 -5.835 -1.035 257 HZ PHE 31 HZ PHE 31 -7.095 -6.279 -1.983 258 H ARG 32 H ARG 32 -1.819 -9.142 -7.371 259 HA ARG 32 HA ARG 32 0.844 -7.875 -7.914 260 HB2 ARG 32 1HB ARG 32 0.211 -10.838 -8.060 261 HB3 ARG 32 2HB ARG 32 1.711 -10.089 -8.611 262 HG2 ARG 32 1HG ARG 32 2.019 -9.171 -6.285 263 HG3 ARG 32 2HG ARG 32 0.635 -10.141 -5.781 264 HD2 ARG 32 1HD ARG 32 3.141 -11.247 -7.078 265 HD3 ARG 32 2HD ARG 32 2.797 -11.295 -5.351 266 HE ARG 32 HE ARG 32 1.520 -12.955 -7.420 267 HH11 ARG 32 1HH2 ARG 32 1.462 -11.650 -4.227 268 HH12 ARG 32 2HH2 ARG 32 0.438 -12.894 -3.594 269 HH21 ARG 32 1HH1 ARG 32 0.178 -14.585 -6.609 270 HH22 ARG 32 2HH1 ARG 32 -0.290 -14.553 -4.942 271 H HIS 33 H HIS 33 1.424 -7.898 -10.171 272 HA HIS 33 HA HIS 33 -0.948 -7.722 -11.900 273 HB2 HIS 33 1HB HIS 33 1.297 -6.224 -11.777 274 HB3 HIS 33 2HB HIS 33 1.822 -7.372 -13.003 275 HD1 HIS 33 HD1 HIS 33 1.554 -6.117 -15.159 276 HD2 HIS 33 HD2 HIS 33 -1.789 -5.693 -12.708 277 HE1 HIS 33 HE1 HIS 33 -0.173 -4.854 -16.514 278 H SER 34 H SER 34 -1.681 -9.547 -12.835 279 HA SER 34 HA SER 34 -0.163 -11.964 -13.081 280 HB2 SER 34 1HB SER 34 -2.734 -11.631 -13.050 281 HB3 SER 34 2HB SER 34 -2.576 -11.314 -14.774 282 HG SER 34 HG SER 34 -2.112 -13.660 -13.311 283 H ASP 35 H ASP 35 -0.463 -9.166 -15.116 284 HA ASP 35 HA ASP 35 0.241 -10.343 -17.622 285 HB2 ASP 35 1HB ASP 35 0.648 -7.562 -16.513 286 HB3 ASP 35 2HB ASP 35 1.048 -7.998 -18.172 287 H ASN 36 H ASN 36 2.301 -8.906 -15.064 288 HA ASN 36 HA ASN 36 4.670 -10.204 -16.396 289 HB2 ASN 36 1HB ASN 36 5.155 -7.872 -14.606 290 HB3 ASN 36 2HB ASN 36 5.926 -8.293 -16.128 291 HD21 ASN 36 2HD2 ASN 36 4.865 -5.633 -15.375 292 HD22 ASN 36 1HD2 ASN 36 3.653 -5.262 -16.504 293 H ASP 37 H ASP 37 2.925 -9.598 -13.430 294 HA ASP 37 HA ASP 37 3.121 -10.480 -11.292 295 HB2 ASP 37 1HB ASP 37 4.634 -12.604 -12.843 296 HB3 ASP 37 2HB ASP 37 4.218 -12.747 -11.141 297 H LYS 38 H LYS 38 5.313 -11.848 -10.144 298 HA LYS 38 HA LYS 38 7.286 -11.411 -8.992 299 HB2 LYS 38 1HB LYS 38 7.941 -9.945 -11.567 300 HB3 LYS 38 2HB LYS 38 9.093 -10.247 -10.273 301 HG2 LYS 38 1HG LYS 38 8.734 -12.671 -10.495 302 HG3 LYS 38 2HG LYS 38 7.558 -12.385 -11.780 303 HD2 LYS 38 1HD LYS 38 9.288 -11.346 -13.168 304 HD3 LYS 38 2HD LYS 38 10.469 -11.544 -11.874 305 HE2 LYS 38 1HE LYS 38 10.732 -13.346 -13.510 306 HE3 LYS 38 2HE LYS 38 10.143 -14.007 -11.986 307 HZ1 LYS 38 3HZ LYS 38 8.990 -14.750 -14.106 308 HZ2 LYS 38 1HZ LYS 38 8.292 -13.205 -14.147 309 HZ3 LYS 38 2HZ LYS 38 7.997 -14.235 -12.828 310 H TRP 39 H TRP 39 4.939 -9.504 -8.885 311 HA TRP 39 HA TRP 39 6.391 -7.045 -7.955 312 HB2 TRP 39 1HB TRP 39 3.441 -7.274 -8.578 313 HB3 TRP 39 2HB TRP 39 4.378 -5.800 -8.330 314 HD1 TRP 39 HD1 TRP 39 2.992 -7.759 -11.008 315 HE1 TRP 39 HE1 TRP 39 4.192 -7.329 -13.241 316 HE3 TRP 39 HE3 TRP 39 7.193 -5.386 -9.316 317 HZ2 TRP 39 HZ2 TRP 39 6.625 -6.143 -14.190 318 HZ3 TRP 39 HZ3 TRP 39 8.931 -4.632 -10.903 319 HH2 TRP 39 HH2 TRP 39 8.653 -5.006 -13.337 320 H TYR 40 H TYR 40 5.870 -6.215 -5.896 321 HA TYR 40 HA TYR 40 4.471 -8.150 -4.075 322 HB2 TYR 40 1HB TYR 40 6.737 -6.209 -3.575 323 HB3 TYR 40 2HB TYR 40 5.884 -7.065 -2.288 324 HD1 TYR 40 HD1 TYR 40 5.929 -9.554 -2.198 325 HD2 TYR 40 HD2 TYR 40 8.318 -7.332 -4.989 326 HE1 TYR 40 HE1 TYR 40 7.320 -11.564 -2.606 327 HE2 TYR 40 HE2 TYR 40 9.712 -9.341 -5.397 328 HH TYR 40 HH TYR 40 10.259 -11.409 -4.503 329 H ALA 41 H ALA 41 2.725 -7.436 -3.021 330 HA ALA 41 HA ALA 41 2.326 -4.573 -2.442 331 HB1 ALA 41 3HB ALA 41 0.309 -4.311 -3.640 332 HB2 ALA 41 1HB ALA 41 0.096 -6.049 -3.845 333 HB3 ALA 41 2HB ALA 41 1.321 -5.196 -4.781 334 H LEU 42 H LEU 42 2.115 -4.899 -0.250 335 HA LEU 42 HA LEU 42 0.358 -7.132 0.699 336 HB2 LEU 42 1HB LEU 42 2.725 -5.694 1.859 337 HB3 LEU 42 2HB LEU 42 1.556 -6.405 2.964 338 HG LEU 42 HG LEU 42 3.474 -7.920 2.375 339 HD11 LEU 42 1HD1 LEU 42 1.068 -9.278 1.224 340 HD12 LEU 42 2HD1 LEU 42 0.892 -8.598 2.840 341 HD13 LEU 42 3HD1 LEU 42 2.145 -9.789 2.518 342 HD21 LEU 42 3HD2 LEU 42 3.776 -8.740 0.184 343 HD22 LEU 42 1HD2 LEU 42 3.444 -7.028 -0.074 344 HD23 LEU 42 2HD2 LEU 42 2.173 -8.221 -0.330 345 H LEU 43 H LEU 43 -1.487 -6.696 1.688 346 HA LEU 43 HA LEU 43 -2.032 -3.914 2.668 347 HB2 LEU 43 1HB LEU 43 -3.207 -4.478 0.503 348 HB3 LEU 43 2HB LEU 43 -4.016 -5.791 1.341 349 HG LEU 43 HG LEU 43 -4.183 -3.052 2.586 350 HD11 LEU 43 1HD1 LEU 43 -5.853 -3.899 0.201 351 HD12 LEU 43 2HD1 LEU 43 -4.617 -2.641 0.185 352 HD13 LEU 43 3HD1 LEU 43 -6.076 -2.431 1.155 353 HD21 LEU 43 3HD2 LEU 43 -6.562 -3.905 2.957 354 HD22 LEU 43 1HD2 LEU 43 -5.300 -4.802 3.785 355 HD23 LEU 43 2HD2 LEU 43 -6.026 -5.449 2.316 356 H MET 44 H MET 44 -2.364 -4.025 4.849 357 HA MET 44 HA MET 44 -4.076 -6.129 5.959 358 HB2 MET 44 1HB MET 44 -2.130 -6.707 7.658 359 HB3 MET 44 2HB MET 44 -2.202 -7.518 6.096 360 HG2 MET 44 1HG MET 44 -0.532 -6.080 5.162 361 HG3 MET 44 2HG MET 44 -0.609 -4.985 6.540 362 HE1 MET 44 3HE MET 44 1.750 -5.060 6.244 363 HE2 MET 44 1HE MET 44 2.342 -6.550 5.495 364 HE3 MET 44 2HE MET 44 2.829 -6.129 7.136 365 H ASP 45 H ASP 45 -4.378 -5.789 8.332 366 HA ASP 45 HA ASP 45 -4.231 -2.879 8.957 367 HB2 ASP 45 1HB ASP 45 -5.867 -5.157 10.098 368 HB3 ASP 45 2HB ASP 45 -5.853 -3.536 10.793 369 H ILE 46 H ILE 46 -2.568 -2.249 10.241 370 HA ILE 46 HA ILE 46 -1.499 -4.210 12.243 371 HB ILE 46 HB ILE 46 0.698 -3.061 11.984 372 HG12 ILE 46 1HG1 ILE 46 -0.570 -1.758 9.562 373 HG13 ILE 46 2HG1 ILE 46 -0.300 -0.913 11.085 374 HG21 ILE 46 1HG2 ILE 46 -0.356 -4.056 9.327 375 HG22 ILE 46 2HG2 ILE 46 -0.004 -5.129 10.681 376 HG23 ILE 46 3HG2 ILE 46 1.290 -4.180 9.949 377 HD11 ILE 46 3HD1 ILE 46 2.109 -1.405 10.946 378 HD12 ILE 46 1HD1 ILE 46 1.572 -0.523 9.517 379 HD13 ILE 46 2HD1 ILE 46 1.852 -2.261 9.427 380 HA PRO 47 HA PRO 47 -2.672 -1.286 15.331 381 HB2 PRO 47 1HB PRO 47 -0.646 -1.636 17.200 382 HB3 PRO 47 2HB PRO 47 -2.036 -2.721 17.012 383 HG2 PRO 47 1HG PRO 47 0.738 -3.005 15.941 384 HG3 PRO 47 2HG PRO 47 -0.324 -4.231 16.661 385 HD2 PRO 47 1HD PRO 47 0.006 -4.065 13.991 386 HD3 PRO 47 2HD PRO 47 -1.569 -4.499 14.697 387 H ALA 48 H ALA 48 -2.345 0.843 15.808 388 HA ALA 48 HA ALA 48 -0.438 2.377 14.331 389 HB1 ALA 48 3HB ALA 48 -2.238 3.002 16.677 390 HB2 ALA 48 1HB ALA 48 -2.440 3.485 14.995 391 HB3 ALA 48 2HB ALA 48 -1.174 4.220 15.979 392 H GLU 49 H GLU 49 -0.268 0.742 17.353 393 HA GLU 49 HA GLU 49 1.609 2.242 18.776 394 HB2 GLU 49 1HB GLU 49 1.332 -0.769 18.534 395 HB3 GLU 49 2HB GLU 49 2.332 0.033 19.747 396 HG2 GLU 49 1HG GLU 49 0.396 1.169 20.669 397 HG3 GLU 49 2HG GLU 49 -0.629 0.532 19.383 398 H LYS 50 H LYS 50 2.130 0.028 16.056 399 HA LYS 50 HA LYS 50 4.979 -0.092 16.208 400 HB2 LYS 50 1HB LYS 50 3.081 -0.381 13.871 401 HB3 LYS 50 2HB LYS 50 4.818 -0.664 13.745 402 HG2 LYS 50 1HG LYS 50 4.687 -2.385 15.488 403 HG3 LYS 50 2HG LYS 50 2.958 -2.087 15.670 404 HD2 LYS 50 1HD LYS 50 2.617 -2.724 13.295 405 HD3 LYS 50 2HD LYS 50 4.339 -3.084 13.162 406 HE2 LYS 50 1HE LYS 50 2.412 -4.425 15.084 407 HE3 LYS 50 2HE LYS 50 3.024 -5.135 13.591 408 HZ1 LYS 50 3HZ LYS 50 5.255 -4.276 14.924 409 HZ2 LYS 50 1HZ LYS 50 4.713 -5.879 14.798 410 HZ3 LYS 50 2HZ LYS 50 4.276 -4.939 16.144 411 H ILE 51 H ILE 51 2.821 2.224 14.600 412 HA ILE 51 HA ILE 51 5.173 3.752 13.624 413 HB ILE 51 HB ILE 51 3.294 5.257 12.666 414 HG12 ILE 51 1HG1 ILE 51 1.685 2.785 13.381 415 HG13 ILE 51 2HG1 ILE 51 1.498 4.367 14.130 416 HG21 ILE 51 1HG2 ILE 51 3.472 2.374 11.738 417 HG22 ILE 51 2HG2 ILE 51 4.646 3.631 11.350 418 HG23 ILE 51 3HG2 ILE 51 2.992 3.759 10.757 419 HD11 ILE 51 3HD1 ILE 51 0.833 3.507 11.324 420 HD12 ILE 51 1HD1 ILE 51 1.144 5.206 11.679 421 HD13 ILE 51 2HD1 ILE 51 -0.179 4.364 12.486 422 H GLY 52 H GLY 52 3.506 3.541 16.465 423 HA2 GLY 52 1HA GLY 52 3.539 4.921 18.363 424 HA3 GLY 52 2HA GLY 52 4.682 5.945 17.502 425 H ILE 53 H ILE 53 1.375 5.204 16.428 426 HA ILE 53 HA ILE 53 0.772 8.136 16.586 427 HB ILE 53 HB ILE 53 -0.126 5.912 14.777 428 HG12 ILE 53 1HG1 ILE 53 0.571 8.831 14.324 429 HG13 ILE 53 2HG1 ILE 53 1.683 7.481 14.129 430 HG21 ILE 53 1HG2 ILE 53 -1.773 8.316 15.564 431 HG22 ILE 53 2HG2 ILE 53 -2.272 6.629 15.464 432 HG23 ILE 53 3HG2 ILE 53 -1.978 7.544 13.993 433 HD11 ILE 53 3HD1 ILE 53 1.006 7.519 11.961 434 HD12 ILE 53 1HD1 ILE 53 -0.450 8.433 12.335 435 HD13 ILE 53 2HD1 ILE 53 -0.432 6.684 12.550 436 H ASN 54 H ASN 54 -0.818 8.860 17.899 437 HA ASN 54 HA ASN 54 -2.418 8.819 19.612 438 HB2 ASN 54 1HB ASN 54 -3.861 8.175 17.746 439 HB3 ASN 54 2HB ASN 54 -3.388 6.486 17.936 440 HD21 ASN 54 2HD2 ASN 54 -5.837 8.611 18.720 441 HD22 ASN 54 1HD2 ASN 54 -6.438 7.839 20.107 442 H GLY 55 H GLY 55 -2.492 5.321 19.071 443 HA2 GLY 55 1HA GLY 55 -0.763 4.111 20.685 444 HA3 GLY 55 2HA GLY 55 -1.704 4.944 21.922 445 H ASP 56 H ASP 56 -1.441 2.097 20.226 446 HA ASP 56 HA ASP 56 -2.797 0.202 20.115 447 HB2 ASP 56 1HB ASP 56 -4.638 1.551 22.087 448 HB3 ASP 56 2HB ASP 56 -4.305 -0.167 21.903 449 H LYS 57 H LYS 57 -3.277 2.239 18.186 450 HA LYS 57 HA LYS 57 -6.250 2.009 17.797 451 HB2 LYS 57 1HB LYS 57 -5.378 4.343 17.950 452 HB3 LYS 57 2HB LYS 57 -4.334 4.013 16.568 453 HG2 LYS 57 1HG LYS 57 -6.260 3.540 15.167 454 HG3 LYS 57 2HG LYS 57 -7.343 3.730 16.545 455 HD2 LYS 57 1HD LYS 57 -6.626 6.088 16.776 456 HD3 LYS 57 2HD LYS 57 -5.573 5.896 15.374 457 HE2 LYS 57 1HE LYS 57 -8.564 5.417 15.303 458 HE3 LYS 57 2HE LYS 57 -7.806 6.942 14.844 459 HZ1 LYS 57 3HZ LYS 57 -7.374 6.098 12.861 460 HZ2 LYS 57 1HZ LYS 57 -8.122 4.639 13.295 461 HZ3 LYS 57 2HZ LYS 57 -6.457 4.850 13.559 462 H ARG 58 H ARG 58 -6.747 0.470 16.310 463 HA ARG 58 HA ARG 58 -4.751 -0.668 14.543 464 HB2 ARG 58 1HB ARG 58 -6.663 -1.978 15.423 465 HB3 ARG 58 2HB ARG 58 -7.762 -0.971 14.483 466 HG2 ARG 58 1HG ARG 58 -6.688 -1.704 12.401 467 HG3 ARG 58 2HG ARG 58 -5.542 -2.680 13.324 468 HD2 ARG 58 1HD ARG 58 -8.547 -3.034 13.457 469 HD3 ARG 58 2HD ARG 58 -7.490 -3.995 12.422 470 HE ARG 58 HE ARG 58 -6.397 -4.203 14.988 471 HH11 ARG 58 1HH2 ARG 58 -9.408 -4.807 13.420 472 HH12 ARG 58 2HH2 ARG 58 -9.829 -6.135 14.449 473 HH21 ARG 58 1HH1 ARG 58 -6.927 -5.935 16.339 474 HH22 ARG 58 2HH1 ARG 58 -8.423 -6.774 16.102 475 H VAL 59 H VAL 59 -4.275 -0.112 12.468 476 HA VAL 59 HA VAL 59 -6.119 1.727 11.000 477 HB VAL 59 HB VAL 59 -4.119 3.018 10.239 478 HG11 VAL 59 1HG1 VAL 59 -3.955 4.357 12.233 479 HG12 VAL 59 2HG1 VAL 59 -4.374 2.983 13.256 480 HG13 VAL 59 3HG1 VAL 59 -5.589 3.692 12.190 481 HG21 VAL 59 3HG2 VAL 59 -2.070 2.765 11.770 482 HG22 VAL 59 1HG2 VAL 59 -2.317 1.481 10.587 483 HG23 VAL 59 2HG2 VAL 59 -2.762 1.229 12.274 484 H ASP 60 H ASP 60 -5.650 1.737 8.637 485 HA ASP 60 HA ASP 60 -4.719 -0.964 7.760 486 HB2 ASP 60 1HB ASP 60 -6.183 1.145 6.160 487 HB3 ASP 60 2HB ASP 60 -5.972 -0.555 5.741 488 H VAL 61 H VAL 61 -2.945 -1.194 6.416 489 HA VAL 61 HA VAL 61 -1.677 1.288 5.317 490 HB VAL 61 HB VAL 61 0.530 0.464 5.997 491 HG11 VAL 61 1HG1 VAL 61 -0.985 1.868 7.548 492 HG12 VAL 61 2HG1 VAL 61 0.396 1.058 8.282 493 HG13 VAL 61 3HG1 VAL 61 -1.221 0.375 8.455 494 HG21 VAL 61 3HG2 VAL 61 -1.066 -1.778 7.269 495 HG22 VAL 61 1HG2 VAL 61 0.638 -1.473 7.591 496 HG23 VAL 61 2HG2 VAL 61 0.121 -1.933 5.975 497 H ILE 62 H ILE 62 -0.288 0.864 3.492 498 HA ILE 62 HA ILE 62 -0.608 -1.846 2.250 499 HB ILE 62 HB ILE 62 -1.008 -0.736 0.061 500 HG12 ILE 62 1HG1 ILE 62 -1.340 1.788 1.716 501 HG13 ILE 62 2HG1 ILE 62 0.057 1.454 0.695 502 HG21 ILE 62 1HG2 ILE 62 -2.908 -1.531 1.376 503 HG22 ILE 62 2HG2 ILE 62 -3.343 -0.040 0.547 504 HG23 ILE 62 3HG2 ILE 62 -2.956 -0.012 2.268 505 HD11 ILE 62 3HD1 ILE 62 -1.450 2.809 -0.601 506 HD12 ILE 62 1HD1 ILE 62 -2.819 1.778 -0.187 507 HD13 ILE 62 2HD1 ILE 62 -1.545 1.169 -1.243 508 H ASP 63 H ASP 63 1.019 -2.308 0.641 509 HA ASP 63 HA ASP 63 3.620 -1.061 1.300 510 HB2 ASP 63 1HB ASP 63 3.319 -3.563 1.162 511 HB3 ASP 63 2HB ASP 63 3.025 -3.372 -0.565 512 H LEU 64 H LEU 64 4.391 0.575 0.022 513 HA LEU 64 HA LEU 64 3.379 0.755 -2.807 514 HB2 LEU 64 1HB LEU 64 2.882 2.605 -0.965 515 HB3 LEU 64 2HB LEU 64 4.533 3.099 -1.301 516 HG LEU 64 HG LEU 64 3.086 4.388 -2.733 517 HD11 LEU 64 1HD1 LEU 64 4.031 3.903 -4.857 518 HD12 LEU 64 2HD1 LEU 64 4.165 2.187 -4.482 519 HD13 LEU 64 3HD1 LEU 64 5.215 3.345 -3.677 520 HD21 LEU 64 3HD2 LEU 64 1.987 2.002 -4.180 521 HD22 LEU 64 1HD2 LEU 64 1.264 3.582 -3.896 522 HD23 LEU 64 2HD2 LEU 64 1.280 2.380 -2.611 523 H LYS 65 H LYS 65 4.952 0.256 -4.252 524 HA LYS 65 HA LYS 65 7.765 0.125 -3.413 525 HB2 LYS 65 1HB LYS 65 6.719 -1.595 -4.885 526 HB3 LYS 65 2HB LYS 65 6.522 -0.368 -6.135 527 HG2 LYS 65 1HG LYS 65 8.980 0.004 -6.131 528 HG3 LYS 65 2HG LYS 65 9.155 -1.276 -4.935 529 HD2 LYS 65 1HD LYS 65 7.855 -1.687 -7.639 530 HD3 LYS 65 2HD LYS 65 9.563 -1.986 -7.334 531 HE2 LYS 65 1HE LYS 65 8.761 -3.516 -5.411 532 HE3 LYS 65 2HE LYS 65 7.176 -3.427 -6.179 533 HZ1 LYS 65 3HZ LYS 65 9.685 -4.330 -7.472 534 HZ2 LYS 65 1HZ LYS 65 8.179 -4.196 -8.239 535 HZ3 LYS 65 2HZ LYS 65 8.394 -5.322 -6.986 536 H VAL 66 H VAL 66 9.337 1.609 -3.950 537 HA VAL 66 HA VAL 66 8.753 3.657 -6.028 538 HB VAL 66 HB VAL 66 9.558 5.456 -4.514 539 HG11 VAL 66 1HG1 VAL 66 7.032 4.569 -4.755 540 HG12 VAL 66 2HG1 VAL 66 7.454 5.869 -3.652 541 HG13 VAL 66 3HG1 VAL 66 7.253 4.230 -3.039 542 HG21 VAL 66 3HG2 VAL 66 9.421 4.810 -2.003 543 HG22 VAL 66 1HG2 VAL 66 10.861 4.336 -2.894 544 HG23 VAL 66 2HG2 VAL 66 9.598 3.154 -2.554 545 H GLN 67 H GLN 67 10.780 4.996 -6.418 546 HA GLN 67 HA GLN 67 13.017 3.165 -6.775 547 HB2 GLN 67 1HB GLN 67 12.444 6.040 -7.476 548 HB3 GLN 67 2HB GLN 67 14.074 5.402 -7.664 549 HG2 GLN 67 1HG GLN 67 13.187 3.585 -9.095 550 HG3 GLN 67 2HG GLN 67 11.567 4.258 -8.925 551 HE21 GLN 67 2HE2 GLN 67 13.909 4.117 -11.160 552 HE22 GLN 67 1HE2 GLN 67 13.762 5.648 -11.879 553 HA PRO 68 HA PRO 68 15.277 4.155 -3.084 554 HB2 PRO 68 1HB PRO 68 17.890 4.163 -4.033 555 HB3 PRO 68 2HB PRO 68 16.963 2.693 -3.678 556 HG2 PRO 68 1HG PRO 68 17.464 4.025 -6.304 557 HG3 PRO 68 2HG PRO 68 17.426 2.297 -5.903 558 HD2 PRO 68 1HD PRO 68 15.339 3.529 -7.129 559 HD3 PRO 68 2HD PRO 68 15.100 2.188 -5.988 560 H GLU 69 H GLU 69 15.529 6.152 -5.897 561 HA GLU 69 HA GLU 69 16.932 8.335 -4.463 562 HB2 GLU 69 1HB GLU 69 15.871 8.077 -7.292 563 HB3 GLU 69 2HB GLU 69 16.681 9.516 -6.669 564 HG2 GLU 69 1HG GLU 69 18.694 8.235 -6.199 565 HG3 GLU 69 2HG GLU 69 17.892 6.740 -6.684 566 H LEU 70 H LEU 70 13.718 7.386 -5.473 567 HA LEU 70 HA LEU 70 12.595 10.051 -4.788 568 HB2 LEU 70 1HB LEU 70 11.208 7.538 -5.771 569 HB3 LEU 70 2HB LEU 70 10.495 9.148 -5.660 570 HG LEU 70 HG LEU 70 12.868 8.395 -7.395 571 HD11 LEU 70 1HD1 LEU 70 11.335 8.652 -9.270 572 HD12 LEU 70 2HD1 LEU 70 10.026 9.101 -8.177 573 HD13 LEU 70 3HD1 LEU 70 10.678 7.463 -8.147 574 HD21 LEU 70 3HD2 LEU 70 12.186 10.741 -8.388 575 HD22 LEU 70 1HD2 LEU 70 13.181 10.674 -6.936 576 HD23 LEU 70 2HD2 LEU 70 11.450 10.992 -6.807 577 H VAL 71 H VAL 71 13.634 7.578 -3.017 578 HA VAL 71 HA VAL 71 11.422 6.832 -1.371 579 HB VAL 71 HB VAL 71 13.520 5.585 -1.307 580 HG11 VAL 71 1HG1 VAL 71 14.933 7.681 -1.679 581 HG12 VAL 71 2HG1 VAL 71 15.570 6.533 -0.503 582 HG13 VAL 71 3HG1 VAL 71 14.755 7.997 0.046 583 HG21 VAL 71 3HG2 VAL 71 12.009 5.884 0.782 584 HG22 VAL 71 1HG2 VAL 71 13.279 6.945 1.386 585 HG23 VAL 71 2HG2 VAL 71 13.633 5.251 1.038 586 H GLY 72 H GLY 72 13.683 9.566 -1.203 587 HA2 GLY 72 1HA GLY 72 12.631 10.479 1.359 588 HA3 GLY 72 2HA GLY 72 13.753 11.365 0.328 589 H SER 73 H SER 73 11.593 10.782 -1.897 590 HA SER 73 HA SER 73 10.367 13.393 -1.681 591 HB2 SER 73 1HB SER 73 9.755 11.057 -3.523 592 HB3 SER 73 2HB SER 73 9.108 12.683 -3.719 593 HG SER 73 HG SER 73 11.335 13.386 -3.792 594 H LEU 74 H LEU 74 8.805 10.157 -1.763 595 HA LEU 74 HA LEU 74 6.333 11.287 -0.749 596 HB2 LEU 74 1HB LEU 74 5.437 9.067 -0.860 597 HB3 LEU 74 2HB LEU 74 6.471 9.266 -2.262 598 HG LEU 74 HG LEU 74 7.366 7.901 0.308 599 HD11 LEU 74 1HD1 LEU 74 7.223 5.854 -1.335 600 HD12 LEU 74 2HD1 LEU 74 6.012 6.851 -2.146 601 HD13 LEU 74 3HD1 LEU 74 5.795 6.398 -0.458 602 HD21 LEU 74 3HD2 LEU 74 9.291 8.658 -0.871 603 HD22 LEU 74 1HD2 LEU 74 8.573 8.294 -2.438 604 HD23 LEU 74 2HD2 LEU 74 9.092 6.992 -1.378 605 H ARG 75 H ARG 75 9.006 9.483 0.686 606 HA ARG 75 HA ARG 75 7.808 8.943 3.201 607 HB2 ARG 75 1HB ARG 75 9.945 7.940 2.416 608 HB3 ARG 75 2HB ARG 75 10.735 9.504 2.624 609 HG2 ARG 75 1HG ARG 75 10.147 9.478 5.024 610 HG3 ARG 75 2HG ARG 75 9.363 7.916 4.811 611 HD2 ARG 75 1HD ARG 75 11.501 6.918 4.113 612 HD3 ARG 75 2HD ARG 75 12.299 8.479 4.290 613 HE ARG 75 HE ARG 75 11.431 6.715 6.485 614 HH11 ARG 75 1HH2 ARG 75 12.467 9.831 5.424 615 HH12 ARG 75 2HH2 ARG 75 13.031 10.318 6.987 616 HH21 ARG 75 1HH1 ARG 75 12.153 7.341 8.531 617 HH22 ARG 75 2HH1 ARG 75 12.852 8.911 8.744 618 H LYS 76 H LYS 76 9.342 11.853 1.936 619 HA LYS 76 HA LYS 76 9.546 13.227 4.442 620 HB2 LYS 76 1HB LYS 76 10.857 14.076 2.671 621 HB3 LYS 76 2HB LYS 76 9.515 14.038 1.534 622 HG2 LYS 76 1HG LYS 76 9.223 15.783 3.948 623 HG3 LYS 76 2HG LYS 76 10.337 16.326 2.713 624 HD2 LYS 76 1HD LYS 76 7.641 15.395 1.767 625 HD3 LYS 76 2HD LYS 76 7.698 16.907 2.642 626 HE2 LYS 76 1HE LYS 76 9.377 16.237 0.216 627 HE3 LYS 76 2HE LYS 76 7.927 17.241 0.203 628 HZ1 LYS 76 3HZ LYS 76 9.348 18.407 2.139 629 HZ2 LYS 76 1HZ LYS 76 9.397 18.892 0.514 630 HZ3 LYS 76 2HZ LYS 76 10.602 17.864 1.128 631 H LYS 77 H LYS 77 6.973 12.831 2.063 632 HA LYS 77 HA LYS 77 5.296 14.912 3.057 633 HB2 LYS 77 1HB LYS 77 4.501 12.390 1.596 634 HB3 LYS 77 2HB LYS 77 3.515 13.841 1.757 635 HG2 LYS 77 1HG LYS 77 6.277 13.903 0.514 636 HG3 LYS 77 2HG LYS 77 4.830 13.585 -0.438 637 HD2 LYS 77 1HD LYS 77 3.874 15.755 0.449 638 HD3 LYS 77 2HD LYS 77 5.453 16.088 1.156 639 HE2 LYS 77 1HE LYS 77 4.727 15.856 -1.754 640 HE3 LYS 77 2HE LYS 77 5.555 17.175 -0.924 641 HZ1 LYS 77 3HZ LYS 77 6.600 14.537 -1.711 642 HZ2 LYS 77 1HZ LYS 77 7.303 15.371 -0.413 643 HZ3 LYS 77 2HZ LYS 77 7.275 16.076 -1.959 644 HA PRO 78 HA PRO 78 4.255 12.946 7.030 645 HB2 PRO 78 1HB PRO 78 1.882 14.768 6.818 646 HB3 PRO 78 2HB PRO 78 3.006 14.535 8.173 647 HG2 PRO 78 1HG PRO 78 3.113 16.697 6.594 648 HG3 PRO 78 2HG PRO 78 4.571 15.967 7.291 649 HD2 PRO 78 1HD PRO 78 3.601 15.892 4.469 650 HD3 PRO 78 2HD PRO 78 5.260 15.792 5.110 651 H GLY 79 H GLY 79 2.792 11.340 7.683 652 HA2 GLY 79 1HA GLY 79 0.649 10.180 7.571 653 HA3 GLY 79 2HA GLY 79 0.459 10.746 5.913 654 H ILE 80 H ILE 80 3.411 10.069 5.488 655 HA ILE 80 HA ILE 80 2.997 7.146 4.976 656 HB ILE 80 HB ILE 80 4.919 9.113 3.705 657 HG12 ILE 80 1HG1 ILE 80 2.414 7.795 2.612 658 HG13 ILE 80 2HG1 ILE 80 2.487 9.454 3.203 659 HG21 ILE 80 1HG2 ILE 80 4.295 6.196 3.155 660 HG22 ILE 80 2HG2 ILE 80 5.839 6.867 3.678 661 HG23 ILE 80 3HG2 ILE 80 5.224 7.227 2.065 662 HD11 ILE 80 3HD1 ILE 80 4.219 8.370 0.973 663 HD12 ILE 80 1HD1 ILE 80 4.105 10.049 1.499 664 HD13 ILE 80 2HD1 ILE 80 2.728 9.273 0.720 665 H TYR 81 H TYR 81 4.065 5.810 6.315 666 HA TYR 81 HA TYR 81 6.460 6.840 7.783 667 HB2 TYR 81 1HB TYR 81 4.455 4.655 8.376 668 HB3 TYR 81 2HB TYR 81 5.967 4.807 9.270 669 HD1 TYR 81 HD1 TYR 81 2.819 6.572 8.365 670 HD2 TYR 81 HD2 TYR 81 6.259 6.492 10.936 671 HE1 TYR 81 HE1 TYR 81 1.804 8.339 9.778 672 HE2 TYR 81 HE2 TYR 81 5.245 8.260 12.348 673 HH TYR 81 HH TYR 81 3.531 9.639 12.615 674 HA PRO 82 HA PRO 82 9.024 4.009 5.506 675 HB2 PRO 82 1HB PRO 82 11.008 3.505 7.330 676 HB3 PRO 82 2HB PRO 82 10.864 5.041 6.455 677 HG2 PRO 82 1HG PRO 82 10.007 4.361 9.236 678 HG3 PRO 82 2HG PRO 82 10.799 5.830 8.628 679 HD2 PRO 82 1HD PRO 82 8.116 5.720 9.122 680 HD3 PRO 82 2HD PRO 82 8.807 6.742 7.843 681 H ALA 83 H ALA 83 9.721 1.747 5.452 682 HA ALA 83 HA ALA 83 7.837 -0.072 6.596 683 HB1 ALA 83 3HB ALA 83 9.500 -1.830 5.816 684 HB2 ALA 83 1HB ALA 83 10.548 -0.501 5.319 685 HB3 ALA 83 2HB ALA 83 8.963 -0.701 4.571 686 H TYR 84 H TYR 84 7.970 -1.421 8.385 687 HA TYR 84 HA TYR 84 9.809 -0.598 10.498 688 HB2 TYR 84 1HB TYR 84 8.613 -2.308 11.851 689 HB3 TYR 84 2HB TYR 84 7.503 -1.188 11.064 690 HD1 TYR 84 HD2 TYR 84 8.940 -4.607 10.928 691 HD2 TYR 84 HD1 TYR 84 5.984 -1.916 9.354 692 HE1 TYR 84 HE2 TYR 84 7.808 -6.507 9.802 693 HE2 TYR 84 HE1 TYR 84 4.854 -3.815 8.229 694 HH TYR 84 HH TYR 84 6.019 -7.154 8.643 695 H HIS 85 H HIS 85 10.548 -2.267 7.902 696 HA HIS 85 HA HIS 85 12.612 -3.825 9.285 697 HB2 HIS 85 1HB HIS 85 12.024 -5.970 8.257 698 HB3 HIS 85 2HB HIS 85 10.701 -5.393 9.270 699 HD1 HIS 85 HD1 HIS 85 8.702 -4.147 7.948 700 HD2 HIS 85 HD2 HIS 85 11.318 -6.390 5.600 701 HE1 HIS 85 HE1 HIS 85 7.533 -4.524 5.733 702 H MET 86 H MET 86 13.369 -5.419 7.083 703 HA MET 86 HA MET 86 15.032 -3.700 5.629 704 HB2 MET 86 1HB MET 86 13.919 -6.409 4.862 705 HB3 MET 86 2HB MET 86 15.220 -5.600 3.987 706 HG2 MET 86 1HG MET 86 16.521 -5.482 6.116 707 HG3 MET 86 2HG MET 86 15.250 -6.410 6.909 708 HE1 MET 86 3HE MET 86 14.402 -8.691 4.661 709 HE2 MET 86 1HE MET 86 14.496 -8.554 6.423 710 HE3 MET 86 2HE MET 86 15.349 -9.849 5.589 711 H ASN 87 H ASN 87 14.875 -3.899 3.009 712 HA ASN 87 HA ASN 87 13.903 -2.962 1.108 713 HB2 ASN 87 1HB ASN 87 11.275 -3.790 2.372 714 HB3 ASN 87 2HB ASN 87 11.589 -3.497 0.661 715 HD21 ASN 87 2HD2 ASN 87 13.201 -5.017 -0.404 716 HD22 ASN 87 1HD2 ASN 87 13.331 -6.604 0.186 717 H LYS 88 H LYS 88 14.390 -1.302 3.436 718 HA LYS 88 HA LYS 88 12.241 0.536 3.907 719 HB2 LYS 88 1HB LYS 88 14.288 0.339 5.329 720 HB3 LYS 88 2HB LYS 88 15.225 1.066 4.025 721 HG2 LYS 88 1HG LYS 88 13.812 3.094 4.141 722 HG3 LYS 88 2HG LYS 88 12.889 2.367 5.459 723 HD2 LYS 88 1HD LYS 88 14.926 2.227 6.830 724 HD3 LYS 88 2HD LYS 88 15.869 2.921 5.513 725 HE2 LYS 88 1HE LYS 88 15.337 4.673 7.111 726 HE3 LYS 88 2HE LYS 88 14.437 4.963 5.622 727 HZ1 LYS 88 3HZ LYS 88 12.757 3.393 6.997 728 HZ2 LYS 88 1HZ LYS 88 12.691 5.086 6.988 729 HZ3 LYS 88 2HZ LYS 88 13.478 4.275 8.256 730 H GLU 89 H GLU 89 14.866 0.472 1.513 731 HA GLU 89 HA GLU 89 13.950 3.031 0.353 732 HB2 GLU 89 1HB GLU 89 16.179 1.119 -0.404 733 HB3 GLU 89 2HB GLU 89 15.841 2.628 -1.253 734 HG2 GLU 89 1HG GLU 89 16.213 3.904 0.799 735 HG3 GLU 89 2HG GLU 89 16.468 2.412 1.706 736 H HIS 90 H HIS 90 13.374 -0.336 -0.083 737 HA HIS 90 HA HIS 90 12.477 0.015 -2.895 738 HB2 HIS 90 1HB HIS 90 12.761 -2.387 -1.076 739 HB3 HIS 90 2HB HIS 90 11.981 -2.483 -2.654 740 HD1 HIS 90 HD1 HIS 90 15.316 -1.496 -1.109 741 HD2 HIS 90 HD2 HIS 90 13.753 -2.656 -4.795 742 HE1 HIS 90 HE1 HIS 90 17.294 -1.820 -2.657 743 H TRP 91 H TRP 91 11.086 -1.203 0.179 744 HA TRP 91 HA TRP 91 8.351 -0.550 -0.882 745 HB2 TRP 91 1HB TRP 91 9.071 -2.373 1.424 746 HB3 TRP 91 2HB TRP 91 7.519 -2.252 0.605 747 HD1 TRP 91 HD1 TRP 91 8.960 -2.167 -2.382 748 HE1 TRP 91 HE1 TRP 91 9.745 -4.412 -3.359 749 HE3 TRP 91 HE3 TRP 91 9.212 -4.954 1.893 750 HZ2 TRP 91 HZ2 TRP 91 10.397 -7.043 -2.458 751 HZ3 TRP 91 HZ3 TRP 91 9.920 -7.328 1.801 752 HH2 TRP 91 HH2 TRP 91 10.513 -8.374 -0.368 753 H ILE 92 H ILE 92 7.221 1.025 0.131 754 HA ILE 92 HA ILE 92 8.214 2.042 2.784 755 HB ILE 92 HB ILE 92 6.723 3.598 0.646 756 HG12 ILE 92 1HG1 ILE 92 8.918 3.049 -0.231 757 HG13 ILE 92 2HG1 ILE 92 8.931 4.736 0.277 758 HG21 ILE 92 1HG2 ILE 92 8.104 4.385 3.228 759 HG22 ILE 92 2HG2 ILE 92 6.382 4.508 2.859 760 HG23 ILE 92 3HG2 ILE 92 7.539 5.544 2.024 761 HD11 ILE 92 3HD1 ILE 92 10.189 2.363 1.624 762 HD12 ILE 92 1HD1 ILE 92 9.846 3.828 2.534 763 HD13 ILE 92 2HD1 ILE 92 10.939 3.876 1.156 764 H THR 93 H THR 93 6.661 2.311 4.386 765 HA THR 93 HA THR 93 4.066 0.999 3.889 766 HB THR 93 HB THR 93 5.226 2.212 6.418 767 HG1 THR 93 HG1 THR 93 5.926 0.078 5.096 768 HG21 THR 93 3HG2 THR 93 3.513 0.781 7.526 769 HG22 THR 93 1HG2 THR 93 2.866 0.376 5.936 770 HG23 THR 93 2HG2 THR 93 2.796 2.040 6.518 771 H VAL 94 H VAL 94 2.204 2.114 3.512 772 HA VAL 94 HA VAL 94 2.211 5.092 3.933 773 HB VAL 94 HB VAL 94 0.796 3.358 1.887 774 HG11 VAL 94 1HG1 VAL 94 -0.020 5.684 1.068 775 HG12 VAL 94 2HG1 VAL 94 0.344 6.231 2.706 776 HG13 VAL 94 3HG1 VAL 94 -0.851 4.961 2.446 777 HG21 VAL 94 3HG2 VAL 94 2.099 4.594 0.287 778 HG22 VAL 94 1HG2 VAL 94 3.213 4.067 1.549 779 HG23 VAL 94 2HG2 VAL 94 2.638 5.733 1.520 780 H LEU 95 H LEU 95 0.668 5.906 5.277 781 HA LEU 95 HA LEU 95 -1.147 3.992 6.613 782 HB2 LEU 95 1HB LEU 95 0.218 5.632 7.913 783 HB3 LEU 95 2HB LEU 95 -0.674 6.940 7.143 784 HG LEU 95 HG LEU 95 -2.788 6.006 8.074 785 HD11 LEU 95 1HD1 LEU 95 -2.506 3.735 8.482 786 HD12 LEU 95 2HD1 LEU 95 -2.246 4.369 10.102 787 HD13 LEU 95 3HD1 LEU 95 -0.867 3.934 9.099 788 HD21 LEU 95 3HD2 LEU 95 -1.413 7.765 9.231 789 HD22 LEU 95 1HD2 LEU 95 -0.667 6.484 10.185 790 HD23 LEU 95 2HD2 LEU 95 -2.396 6.799 10.332 791 H LEU 96 H LEU 96 -3.016 3.636 5.515 792 HA LEU 96 HA LEU 96 -4.242 5.511 3.719 793 HB2 LEU 96 1HB LEU 96 -5.331 3.076 5.147 794 HB3 LEU 96 2HB LEU 96 -6.250 3.983 3.952 795 HG LEU 96 HG LEU 96 -3.521 2.775 3.416 796 HD11 LEU 96 1HD1 LEU 96 -6.311 1.679 3.051 797 HD12 LEU 96 2HD1 LEU 96 -4.904 0.899 3.773 798 HD13 LEU 96 3HD1 LEU 96 -4.979 1.138 2.028 799 HD21 LEU 96 3HD2 LEU 96 -4.606 3.021 0.987 800 HD22 LEU 96 1HD2 LEU 96 -3.797 4.385 1.751 801 HD23 LEU 96 2HD2 LEU 96 -5.556 4.275 1.776 802 H ASN 97 H ASN 97 -4.756 4.729 7.131 803 HA ASN 97 HA ASN 97 -7.014 6.537 7.407 804 HB2 ASN 97 1HB ASN 97 -5.217 5.213 9.456 805 HB3 ASN 97 2HB ASN 97 -6.653 6.154 9.860 806 HD21 ASN 97 2HD2 ASN 97 -7.630 4.883 7.050 807 HD22 ASN 97 1HD2 ASN 97 -8.275 3.401 7.567 808 H GLY 98 H GLY 98 -3.927 7.205 6.703 809 HA2 GLY 98 1HA GLY 98 -3.226 9.213 8.656 810 HA3 GLY 98 2HA GLY 98 -2.494 9.027 7.063 811 HA PRO 99 HA PRO 99 -5.253 12.809 7.039 812 HB2 PRO 99 1HB PRO 99 -3.352 14.722 6.787 813 HB3 PRO 99 2HB PRO 99 -3.781 14.038 8.368 814 HG2 PRO 99 1HG PRO 99 -1.448 13.408 6.608 815 HG3 PRO 99 2HG PRO 99 -1.508 13.604 8.371 816 HD2 PRO 99 1HD PRO 99 -1.517 11.143 7.097 817 HD3 PRO 99 2HD PRO 99 -2.191 11.418 8.719 818 H LEU 100 H LEU 100 -3.032 11.275 5.012 819 HA LEU 100 HA LEU 100 -3.062 13.087 2.760 820 HB2 LEU 100 1HB LEU 100 -2.222 11.088 1.492 821 HB3 LEU 100 2HB LEU 100 -1.287 11.467 2.933 822 HG LEU 100 HG LEU 100 -3.156 9.724 3.987 823 HD11 LEU 100 1HD1 LEU 100 -2.529 8.771 1.180 824 HD12 LEU 100 2HD1 LEU 100 -4.119 9.240 1.780 825 HD13 LEU 100 3HD1 LEU 100 -3.316 7.811 2.432 826 HD21 LEU 100 3HD2 LEU 100 -1.316 7.956 3.661 827 HD22 LEU 100 1HD2 LEU 100 -0.841 9.448 4.475 828 HD23 LEU 100 2HD2 LEU 100 -0.432 9.201 2.778 829 H GLY 101 H GLY 101 -4.364 13.012 0.896 830 HA2 GLY 101 1HA GLY 101 -6.998 11.690 1.273 831 HA3 GLY 101 2HA GLY 101 -6.641 12.968 0.116 832 H ALA 102 H ALA 102 -8.013 10.910 -0.868 833 HA ALA 102 HA ALA 102 -6.531 8.673 -1.841 834 HB1 ALA 102 3HB ALA 102 -8.956 8.648 -1.890 835 HB2 ALA 102 1HB ALA 102 -8.379 8.541 -3.554 836 HB3 ALA 102 2HB ALA 102 -8.991 10.072 -2.930 837 H LYS 103 H LYS 103 -6.835 11.977 -2.953 838 HA LYS 103 HA LYS 103 -5.871 11.633 -5.618 839 HB2 LYS 103 1HB LYS 103 -5.640 13.974 -3.703 840 HB3 LYS 103 2HB LYS 103 -5.186 14.050 -5.406 841 HG2 LYS 103 1HG LYS 103 -7.473 13.439 -6.061 842 HG3 LYS 103 2HG LYS 103 -7.936 13.315 -4.363 843 HD2 LYS 103 1HD LYS 103 -7.340 15.704 -4.047 844 HD3 LYS 103 2HD LYS 103 -6.956 15.818 -5.765 845 HE2 LYS 103 1HE LYS 103 -9.662 14.988 -4.680 846 HE3 LYS 103 2HE LYS 103 -9.265 16.623 -5.210 847 HZ1 LYS 103 3HZ LYS 103 -8.486 15.377 -7.340 848 HZ2 LYS 103 1HZ LYS 103 -10.127 15.740 -7.115 849 HZ3 LYS 103 2HZ LYS 103 -9.554 14.172 -6.796 850 H GLU 104 H GLU 104 -4.183 12.162 -2.541 851 HA GLU 104 HA GLU 104 -1.548 12.342 -3.667 852 HB2 GLU 104 1HB GLU 104 -2.473 11.475 -0.905 853 HB3 GLU 104 2HB GLU 104 -0.791 11.766 -1.339 854 HG2 GLU 104 1HG GLU 104 -1.420 13.833 -0.431 855 HG3 GLU 104 2HG GLU 104 -1.659 14.105 -2.153 856 H ILE 105 H ILE 105 -3.464 9.618 -2.422 857 HA ILE 105 HA ILE 105 -1.413 7.636 -2.722 858 HB ILE 105 HB ILE 105 -4.415 7.257 -2.920 859 HG12 ILE 105 1HG1 ILE 105 -2.598 7.134 -0.494 860 HG13 ILE 105 2HG1 ILE 105 -3.660 8.491 -0.872 861 HG21 ILE 105 1HG2 ILE 105 -3.063 5.307 -3.637 862 HG22 ILE 105 2HG2 ILE 105 -3.898 4.982 -2.119 863 HG23 ILE 105 3HG2 ILE 105 -2.178 5.370 -2.114 864 HD11 ILE 105 3HD1 ILE 105 -4.919 7.172 0.637 865 HD12 ILE 105 1HD1 ILE 105 -4.419 5.666 -0.132 866 HD13 ILE 105 2HD1 ILE 105 -5.558 6.737 -0.948 867 H HIS 106 H HIS 106 -3.991 8.736 -4.919 868 HA HIS 106 HA HIS 106 -3.579 6.879 -7.004 869 HB2 HIS 106 1HB HIS 106 -4.405 9.793 -7.086 870 HB3 HIS 106 2HB HIS 106 -4.439 8.742 -8.500 871 HD1 HIS 106 HD1 HIS 106 -7.128 9.557 -8.013 872 HD2 HIS 106 HD2 HIS 106 -5.489 6.534 -5.657 873 HE1 HIS 106 HE1 HIS 106 -9.079 8.304 -6.998 874 H SER 107 H SER 107 -1.985 10.024 -6.455 875 HA SER 107 HA SER 107 -0.330 9.955 -8.775 876 HB2 SER 107 1HB SER 107 -0.503 12.028 -7.622 877 HB3 SER 107 2HB SER 107 -0.048 11.298 -6.083 878 HG SER 107 HG SER 107 2.023 11.103 -6.792 879 H LEU 108 H LEU 108 0.261 8.809 -5.458 880 HA LEU 108 HA LEU 108 2.948 7.943 -5.878 881 HB2 LEU 108 1HB LEU 108 0.812 6.962 -3.965 882 HB3 LEU 108 2HB LEU 108 2.504 6.485 -3.873 883 HG LEU 108 HG LEU 108 1.568 9.371 -3.799 884 HD11 LEU 108 1HD1 LEU 108 0.762 7.942 -1.858 885 HD12 LEU 108 2HD1 LEU 108 1.782 9.308 -1.413 886 HD13 LEU 108 3HD1 LEU 108 2.459 7.680 -1.452 887 HD21 LEU 108 3HD2 LEU 108 3.834 9.455 -4.384 888 HD22 LEU 108 1HD2 LEU 108 4.227 7.974 -3.514 889 HD23 LEU 108 2HD2 LEU 108 3.950 9.472 -2.629 890 H ILE 109 H ILE 109 -0.157 6.253 -6.266 891 HA ILE 109 HA ILE 109 0.935 3.682 -6.862 892 HB ILE 109 HB ILE 109 -1.671 4.991 -7.685 893 HG12 ILE 109 1HG1 ILE 109 -1.107 2.841 -5.625 894 HG13 ILE 109 2HG1 ILE 109 -1.161 4.559 -5.231 895 HG21 ILE 109 1HG2 ILE 109 -0.643 2.170 -8.057 896 HG22 ILE 109 2HG2 ILE 109 -1.315 3.250 -9.280 897 HG23 ILE 109 3HG2 ILE 109 -2.366 2.550 -8.049 898 HD11 ILE 109 3HD1 ILE 109 -3.457 4.727 -5.918 899 HD12 ILE 109 1HD1 ILE 109 -3.338 3.317 -4.864 900 HD13 ILE 109 2HD1 ILE 109 -3.427 3.106 -6.613 901 H GLU 110 H GLU 110 0.075 6.412 -8.994 902 HA GLU 110 HA GLU 110 0.584 5.156 -11.479 903 HB2 GLU 110 1HB GLU 110 -0.355 7.514 -10.997 904 HB3 GLU 110 2HB GLU 110 1.328 8.028 -10.878 905 HG2 GLU 110 1HG GLU 110 0.190 6.569 -13.279 906 HG3 GLU 110 2HG GLU 110 0.310 8.324 -13.170 907 H ASP 111 H ASP 111 2.812 6.831 -9.268 908 HA ASP 111 HA ASP 111 5.149 6.609 -10.876 909 HB2 ASP 111 1HB ASP 111 5.056 8.025 -8.872 910 HB3 ASP 111 2HB ASP 111 4.873 6.599 -7.852 911 H SER 112 H SER 112 3.793 4.403 -8.428 912 HA SER 112 HA SER 112 5.882 2.432 -8.719 913 HB2 SER 112 1HB SER 112 4.325 0.963 -7.479 914 HB3 SER 112 2HB SER 112 4.490 2.541 -6.719 915 HG SER 112 HG SER 112 2.291 1.790 -6.957 916 H PHE 113 H PHE 113 2.908 3.108 -10.423 917 HA PHE 113 HA PHE 113 2.459 0.579 -11.627 918 HB2 PHE 113 1HB PHE 113 0.906 2.546 -11.741 919 HB3 PHE 113 2HB PHE 113 2.006 3.291 -12.902 920 HD1 PHE 113 HD2 PHE 113 -0.100 0.284 -12.285 921 HD2 PHE 113 HD1 PHE 113 1.980 2.662 -15.194 922 HE1 PHE 113 HE2 PHE 113 -1.155 -1.026 -14.107 923 HE2 PHE 113 HE1 PHE 113 0.925 1.353 -17.017 924 HZ PHE 113 HZ PHE 113 -0.643 -0.489 -16.474 925 H GLN 114 H GLN 114 4.485 3.315 -12.704 926 HA GLN 114 HA GLN 114 5.336 2.165 -15.158 927 HB2 GLN 114 1HB GLN 114 6.776 4.039 -13.264 928 HB3 GLN 114 2HB GLN 114 7.356 3.641 -14.882 929 HG2 GLN 114 1HG GLN 114 5.273 4.497 -15.862 930 HG3 GLN 114 2HG GLN 114 4.654 4.864 -14.251 931 HE21 GLN 114 2HE2 GLN 114 4.719 7.126 -14.109 932 HE22 GLN 114 1HE2 GLN 114 6.083 8.071 -14.466 933 H LEU 115 H LEU 115 6.716 1.851 -11.884 934 HA LEU 115 HA LEU 115 8.957 0.234 -12.638 935 HB2 LEU 115 1HB LEU 115 7.441 0.674 -10.072 936 HB3 LEU 115 2HB LEU 115 8.680 -0.579 -10.148 937 HG LEU 115 HG LEU 115 10.337 1.078 -10.879 938 HD11 LEU 115 1HD1 LEU 115 7.950 2.931 -10.758 939 HD12 LEU 115 2HD1 LEU 115 9.051 2.661 -12.107 940 HD13 LEU 115 3HD1 LEU 115 9.604 3.536 -10.679 941 HD21 LEU 115 3HD2 LEU 115 9.722 0.666 -8.405 942 HD22 LEU 115 1HD2 LEU 115 8.894 2.222 -8.480 943 HD23 LEU 115 2HD2 LEU 115 10.630 2.130 -8.771 944 H THR 116 H THR 116 5.633 -0.587 -11.727 945 HA THR 116 HA THR 116 6.180 -3.472 -12.020 946 HB THR 116 HB THR 116 3.853 -3.748 -11.320 947 HG1 THR 116 HG1 THR 116 3.337 -1.130 -10.858 948 HG21 THR 116 3HG2 THR 116 3.991 -2.670 -9.128 949 HG22 THR 116 1HG2 THR 116 5.218 -1.556 -9.733 950 HG23 THR 116 2HG2 THR 116 5.578 -3.278 -9.597 951 H ARG 117 H ARG 117 5.795 -1.079 -14.188 952 HA ARG 117 HA ARG 117 3.762 -2.198 -15.937 953 HB2 ARG 117 1HB ARG 117 4.404 0.201 -15.986 954 HB3 ARG 117 2HB ARG 117 6.004 -0.252 -16.574 955 HG2 ARG 117 1HG ARG 117 4.998 -1.271 -18.568 956 HG3 ARG 117 2HG ARG 117 3.387 -0.874 -17.972 957 HD2 ARG 117 1HD ARG 117 4.064 1.550 -17.969 958 HD3 ARG 117 2HD ARG 117 5.571 1.076 -18.755 959 HE ARG 117 HE ARG 117 3.232 0.083 -20.166 960 HH11 ARG 117 1HH2 ARG 117 5.324 2.762 -19.592 961 HH12 ARG 117 2HH2 ARG 117 5.011 3.505 -21.125 962 HH21 ARG 117 1HH1 ARG 117 2.811 1.035 -22.170 963 HH22 ARG 117 2HH1 ARG 117 3.587 2.526 -22.585 964 H LEU 118 H LEU 118 4.098 -3.480 -17.807 965 HA LEU 118 HA LEU 118 6.267 -5.343 -17.692 966 HB2 LEU 118 1HB LEU 118 4.074 -5.918 -18.651 967 HB3 LEU 118 2HB LEU 118 4.306 -4.729 -19.926 968 HG LEU 118 HG LEU 118 6.236 -5.972 -20.760 969 HD11 LEU 118 1HD1 LEU 118 5.718 -7.657 -18.329 970 HD12 LEU 118 2HD1 LEU 118 7.252 -7.026 -18.927 971 HD13 LEU 118 3HD1 LEU 118 6.477 -8.379 -19.744 972 HD21 LEU 118 3HD2 LEU 118 5.027 -7.800 -21.717 973 HD22 LEU 118 1HD2 LEU 118 3.832 -6.539 -21.410 974 HD23 LEU 118 2HD2 LEU 118 3.968 -7.913 -20.311 975 H GLU 119 H GLU 119 8.213 -5.324 -18.750 976 HA GLU 119 HA GLU 119 9.103 -2.826 -19.959 977 HB2 GLU 119 1HB GLU 119 11.220 -4.334 -20.384 978 HB3 GLU 119 2HB GLU 119 10.810 -3.866 -18.736 979 HG2 GLU 119 1HG GLU 119 9.776 -5.989 -18.296 980 HG3 GLU 119 2HG GLU 119 9.856 -6.446 -19.998 981 H HIS 120 H HIS 120 8.458 -2.375 -22.001 982 HA HIS 120 HA HIS 120 8.146 -4.573 -23.988 983 HB2 HIS 120 1HB HIS 120 6.306 -2.955 -23.783 984 HB3 HIS 120 2HB HIS 120 7.420 -1.628 -24.101 985 HD1 HIS 120 HD1 HIS 120 6.286 -4.843 -25.839 986 HD2 HIS 120 HD2 HIS 120 7.552 -0.983 -26.771 987 HE1 HIS 120 HE1 HIS 120 6.086 -4.611 -28.354 988 H HIS 121 H HIS 121 10.656 -2.978 -22.870 989 HA HIS 121 HA HIS 121 12.731 -2.292 -23.699 990 HB2 HIS 121 1HB HIS 121 11.823 -4.061 -25.982 991 HB3 HIS 121 2HB HIS 121 13.463 -3.442 -25.792 992 HD1 HIS 121 HD1 HIS 121 11.359 -6.236 -24.844 993 HD2 HIS 121 HD2 HIS 121 14.621 -4.277 -23.142 994 HE1 HIS 121 HE1 HIS 121 12.298 -7.801 -23.087 995 H HIS 122 H HIS 122 13.807 -1.258 -25.767 996 HA HIS 122 HA HIS 122 11.866 0.385 -27.312 997 HB2 HIS 122 1HB HIS 122 12.505 1.637 -25.209 998 HB3 HIS 122 2HB HIS 122 14.171 1.633 -25.789 999 HD1 HIS 122 HD1 HIS 122 10.746 2.560 -27.210 1000 HD2 HIS 122 HD2 HIS 122 14.704 3.862 -27.314 1001 HE1 HIS 122 HE1 HIS 122 10.777 4.640 -28.654 1002 H HIS 123 H HIS 123 12.638 0.922 -29.347 1003 HA HIS 123 HA HIS 123 15.018 -0.496 -30.266 1004 HB2 HIS 123 1HB HIS 123 13.092 -0.417 -31.730 1005 HB3 HIS 123 2HB HIS 123 13.062 1.344 -31.670 1006 HD1 HIS 123 HD1 HIS 123 15.436 -1.436 -32.764 1007 HD2 HIS 123 HD2 HIS 123 14.521 2.523 -33.696 1008 HE1 HIS 123 HE1 HIS 123 16.852 -0.828 -34.774 1009 H HIS 124 H HIS 124 16.945 0.410 -30.987 1010 HA HIS 124 HA HIS 124 17.869 2.812 -29.724 1011 HB2 HIS 124 1HB HIS 124 19.307 0.881 -30.457 1012 HB3 HIS 124 2HB HIS 124 19.066 1.399 -32.125 1013 HD1 HIS 124 HD1 HIS 124 20.079 3.738 -32.804 1014 HD2 HIS 124 HD2 HIS 124 21.158 2.417 -29.001 1015 HE1 HIS 124 HE1 HIS 124 22.040 5.167 -32.080 1016 H HIS 125 H HIS 125 18.237 4.884 -30.598 1017 HA HIS 125 HA HIS 125 17.392 5.417 -33.399 1018 HB2 HIS 125 1HB HIS 125 15.912 7.240 -32.728 1019 HB3 HIS 125 2HB HIS 125 15.373 5.743 -31.968 1020 HD1 HIS 125 HD1 HIS 125 14.490 8.206 -30.542 1021 HD2 HIS 125 HD2 HIS 125 18.211 6.483 -29.796 1022 HE1 HIS 125 HE1 HIS 125 15.209 9.015 -28.252 Start of MODEL 6 1 H1 MET 1 1H MET 1 -10.956 7.461 3.401 2 H2 MET 1 2H MET 1 -12.098 7.490 2.144 3 H3 MET 1 3H MET 1 -10.704 8.459 2.053 4 HA MET 1 HA MET 1 -10.985 6.026 0.909 5 HB2 MET 1 1HB MET 1 -9.289 7.850 0.474 6 HB3 MET 1 2HB MET 1 -8.375 7.243 1.856 7 HG2 MET 1 1HG MET 1 -7.438 6.202 -0.095 8 HG3 MET 1 2HG MET 1 -8.388 4.966 0.725 9 HE1 MET 1 3HE MET 1 -7.656 6.559 -2.629 10 HE2 MET 1 1HE MET 1 -8.502 5.245 -3.460 11 HE3 MET 1 2HE MET 1 -7.361 4.886 -2.166 12 H ASN 2 H ASN 2 -10.236 3.906 1.341 13 HA ASN 2 HA ASN 2 -8.972 3.327 3.943 14 HB2 ASN 2 1HB ASN 2 -10.735 1.675 4.559 15 HB3 ASN 2 2HB ASN 2 -11.337 3.332 4.557 16 HD21 ASN 2 2HD2 ASN 2 -13.545 2.728 4.059 17 HD22 ASN 2 1HD2 ASN 2 -13.985 2.091 2.549 18 H ARG 3 H ARG 3 -8.929 0.729 4.080 19 HA ARG 3 HA ARG 3 -7.303 -0.171 1.919 20 HB2 ARG 3 1HB ARG 3 -7.235 -2.255 3.081 21 HB3 ARG 3 2HB ARG 3 -7.424 -1.041 4.340 22 HG2 ARG 3 1HG ARG 3 -9.953 -1.439 4.103 23 HG3 ARG 3 2HG ARG 3 -9.523 -2.888 3.206 24 HD2 ARG 3 1HD ARG 3 -8.546 -2.258 6.007 25 HD3 ARG 3 2HD ARG 3 -9.893 -3.335 5.637 26 HE ARG 3 HE ARG 3 -7.747 -4.289 4.126 27 HH11 ARG 3 1HH2 ARG 3 -8.492 -3.672 7.436 28 HH12 ARG 3 2HH2 ARG 3 -7.458 -4.924 8.036 29 HH21 ARG 3 1HH1 ARG 3 -6.392 -5.919 4.889 30 HH22 ARG 3 2HH1 ARG 3 -6.269 -6.198 6.594 31 H GLN 4 H GLN 4 -10.756 -0.448 2.558 32 HA GLN 4 HA GLN 4 -11.391 -2.447 0.636 33 HB2 GLN 4 1HB GLN 4 -12.859 -1.312 2.477 34 HB3 GLN 4 2HB GLN 4 -13.220 -0.116 1.234 35 HG2 GLN 4 1HG GLN 4 -13.616 -3.108 0.928 36 HG3 GLN 4 2HG GLN 4 -14.897 -1.951 1.288 37 HE21 GLN 4 2HE2 GLN 4 -13.763 -3.666 -1.239 38 HE22 GLN 4 1HE2 GLN 4 -14.053 -2.578 -2.508 39 H GLN 5 H GLN 5 -11.224 1.103 0.321 40 HA GLN 5 HA GLN 5 -12.049 1.186 -2.425 41 HB2 GLN 5 1HB GLN 5 -10.669 3.037 -0.514 42 HB3 GLN 5 2HB GLN 5 -10.510 3.408 -2.230 43 HG2 GLN 5 1HG GLN 5 -12.453 4.572 -1.298 44 HG3 GLN 5 2HG GLN 5 -12.985 3.351 -2.453 45 HE21 GLN 5 2HE2 GLN 5 -14.411 1.753 -1.687 46 HE22 GLN 5 1HE2 GLN 5 -14.828 1.549 -0.054 47 H PHE 6 H PHE 6 -8.892 0.820 -0.857 48 HA PHE 6 HA PHE 6 -7.268 1.027 -3.186 49 HB2 PHE 6 1HB PHE 6 -6.313 1.006 -0.935 50 HB3 PHE 6 2HB PHE 6 -6.888 -0.641 -0.678 51 HD1 PHE 6 HD2 PHE 6 -5.944 -2.520 -2.008 52 HD2 PHE 6 HD1 PHE 6 -4.334 1.458 -2.230 53 HE1 PHE 6 HE2 PHE 6 -3.880 -3.415 -3.045 54 HE2 PHE 6 HE1 PHE 6 -2.267 0.561 -3.271 55 HZ PHE 6 HZ PHE 6 -2.040 -1.875 -3.679 56 H ILE 7 H ILE 7 -8.844 -1.800 -1.683 57 HA ILE 7 HA ILE 7 -7.859 -3.727 -3.549 58 HB ILE 7 HB ILE 7 -10.390 -3.673 -1.875 59 HG12 ILE 7 1HG1 ILE 7 -7.790 -5.176 -1.452 60 HG13 ILE 7 2HG1 ILE 7 -8.135 -3.613 -0.716 61 HG21 ILE 7 1HG2 ILE 7 -10.205 -6.218 -2.231 62 HG22 ILE 7 2HG2 ILE 7 -9.135 -5.830 -3.578 63 HG23 ILE 7 3HG2 ILE 7 -10.804 -5.267 -3.590 64 HD11 ILE 7 3HD1 ILE 7 -10.010 -4.504 0.492 65 HD12 ILE 7 1HD1 ILE 7 -8.665 -5.615 0.745 66 HD13 ILE 7 2HD1 ILE 7 -9.940 -6.021 -0.403 67 H ASP 8 H ASP 8 -10.882 -1.816 -3.493 68 HA ASP 8 HA ASP 8 -11.969 -2.923 -5.911 69 HB2 ASP 8 1HB ASP 8 -12.416 -0.396 -4.323 70 HB3 ASP 8 2HB ASP 8 -13.165 -0.554 -5.910 71 H TYR 9 H TYR 9 -10.024 -0.008 -5.280 72 HA TYR 9 HA TYR 9 -9.881 0.883 -7.993 73 HB2 TYR 9 1HB TYR 9 -9.270 2.296 -6.055 74 HB3 TYR 9 2HB TYR 9 -7.882 1.256 -5.739 75 HD1 TYR 9 HD1 TYR 9 -9.336 3.757 -8.022 76 HD2 TYR 9 HD2 TYR 9 -5.931 1.270 -7.200 77 HE1 TYR 9 HE1 TYR 9 -7.999 5.047 -9.664 78 HE2 TYR 9 HE2 TYR 9 -4.594 2.560 -8.843 79 HH TYR 9 HH TYR 9 -6.026 4.793 -11.029 80 H ALA 10 H ALA 10 -7.859 -1.302 -6.074 81 HA ALA 10 HA ALA 10 -5.715 -1.680 -7.851 82 HB1 ALA 10 3HB ALA 10 -7.070 -3.781 -6.131 83 HB2 ALA 10 1HB ALA 10 -5.853 -2.640 -5.562 84 HB3 ALA 10 2HB ALA 10 -5.425 -3.861 -6.760 85 H GLN 11 H GLN 11 -8.884 -3.320 -7.789 86 HA GLN 11 HA GLN 11 -8.309 -5.069 -9.998 87 HB2 GLN 11 1HB GLN 11 -10.921 -4.040 -8.854 88 HB3 GLN 11 2HB GLN 11 -10.824 -5.272 -10.114 89 HG2 GLN 11 1HG GLN 11 -9.508 -6.719 -8.635 90 HG3 GLN 11 2HG GLN 11 -9.528 -5.480 -7.380 91 HE21 GLN 11 2HE2 GLN 11 -11.114 -8.275 -8.377 92 HE22 GLN 11 1HE2 GLN 11 -12.596 -8.031 -7.586 93 H LYS 12 H LYS 12 -9.803 -1.852 -9.777 94 HA LYS 12 HA LYS 12 -10.552 -1.649 -12.528 95 HB2 LYS 12 1HB LYS 12 -11.320 -0.114 -10.694 96 HB3 LYS 12 2HB LYS 12 -9.706 0.595 -10.666 97 HG2 LYS 12 1HG LYS 12 -9.935 1.270 -13.014 98 HG3 LYS 12 2HG LYS 12 -11.529 0.516 -13.089 99 HD2 LYS 12 1HD LYS 12 -12.335 2.047 -11.325 100 HD3 LYS 12 2HD LYS 12 -10.747 2.811 -11.267 101 HE2 LYS 12 1HE LYS 12 -12.261 4.133 -12.672 102 HE3 LYS 12 2HE LYS 12 -10.977 3.434 -13.659 103 HZ1 LYS 12 3HZ LYS 12 -12.533 2.485 -14.889 104 HZ2 LYS 12 1HZ LYS 12 -13.762 3.066 -13.875 105 HZ3 LYS 12 2HZ LYS 12 -13.030 1.567 -13.549 106 H LYS 13 H LYS 13 -7.548 -0.895 -10.803 107 HA LYS 13 HA LYS 13 -6.282 0.145 -13.239 108 HB2 LYS 13 1HB LYS 13 -5.879 0.976 -10.842 109 HB3 LYS 13 2HB LYS 13 -4.916 -0.483 -10.620 110 HG2 LYS 13 1HG LYS 13 -3.278 1.027 -11.323 111 HG3 LYS 13 2HG LYS 13 -3.737 0.292 -12.856 112 HD2 LYS 13 1HD LYS 13 -5.209 2.175 -13.368 113 HD3 LYS 13 2HD LYS 13 -4.908 2.880 -11.780 114 HE2 LYS 13 1HE LYS 13 -3.505 4.003 -13.421 115 HE3 LYS 13 2HE LYS 13 -2.482 3.033 -12.360 116 HZ1 LYS 13 3HZ LYS 13 -2.783 1.228 -14.120 117 HZ2 LYS 13 1HZ LYS 13 -1.736 2.513 -14.478 118 HZ3 LYS 13 2HZ LYS 13 -3.301 2.484 -15.141 119 H TYR 14 H TYR 14 -6.105 -2.826 -11.288 120 HA TYR 14 HA TYR 14 -4.205 -3.965 -13.325 121 HB2 TYR 14 1HB TYR 14 -4.547 -4.685 -10.399 122 HB3 TYR 14 2HB TYR 14 -3.408 -5.434 -11.518 123 HD1 TYR 14 HD1 TYR 14 -1.537 -4.089 -12.494 124 HD2 TYR 14 HD2 TYR 14 -4.115 -2.525 -9.433 125 HE1 TYR 14 HE1 TYR 14 0.106 -2.290 -12.027 126 HE2 TYR 14 HE2 TYR 14 -2.472 -0.727 -8.968 127 HH TYR 14 HH TYR 14 0.111 -0.014 -11.048 128 H ASP 15 H ASP 15 -7.289 -4.377 -11.744 129 HA ASP 15 HA ASP 15 -8.952 -6.019 -12.037 130 HB2 ASP 15 1HB ASP 15 -8.406 -5.435 -14.474 131 HB3 ASP 15 2HB ASP 15 -7.390 -6.875 -14.486 132 H THR 16 H THR 16 -6.723 -6.629 -10.359 133 HA THR 16 HA THR 16 -6.266 -9.547 -10.878 134 HB THR 16 HB THR 16 -4.815 -7.593 -9.065 135 HG1 THR 16 HG1 THR 16 -4.575 -7.721 -11.503 136 HG21 THR 16 3HG2 THR 16 -4.481 -10.560 -9.557 137 HG22 THR 16 1HG2 THR 16 -4.768 -9.754 -8.015 138 HG23 THR 16 2HG2 THR 16 -3.220 -9.559 -8.838 139 H LYS 17 H LYS 17 -7.112 -11.029 -9.468 140 HA LYS 17 HA LYS 17 -9.032 -10.072 -7.511 141 HB2 LYS 17 1HB LYS 17 -8.145 -12.866 -8.232 142 HB3 LYS 17 2HB LYS 17 -9.500 -12.477 -7.166 143 HG2 LYS 17 1HG LYS 17 -10.632 -11.282 -8.953 144 HG3 LYS 17 2HG LYS 17 -9.248 -11.504 -10.023 145 HD2 LYS 17 1HD LYS 17 -9.566 -13.990 -9.797 146 HD3 LYS 17 2HD LYS 17 -11.059 -13.663 -8.915 147 HE2 LYS 17 1HE LYS 17 -11.631 -14.029 -11.240 148 HE3 LYS 17 2HE LYS 17 -11.847 -12.315 -10.886 149 HZ1 LYS 17 3HZ LYS 17 -9.560 -13.594 -12.275 150 HZ2 LYS 17 1HZ LYS 17 -9.544 -11.982 -11.745 151 HZ3 LYS 17 2HZ LYS 17 -10.669 -12.478 -12.918 152 HA PRO 18 HA PRO 18 -6.109 -9.892 -4.054 153 HB2 PRO 18 1HB PRO 18 -8.485 -10.801 -2.460 154 HB3 PRO 18 2HB PRO 18 -7.391 -9.434 -2.172 155 HG2 PRO 18 1HG PRO 18 -9.860 -9.094 -3.157 156 HG3 PRO 18 2HG PRO 18 -8.502 -8.067 -3.636 157 HD2 PRO 18 1HD PRO 18 -9.884 -10.186 -5.204 158 HD3 PRO 18 2HD PRO 18 -8.998 -8.747 -5.758 159 H ASP 19 H ASP 19 -4.830 -11.372 -2.970 160 HA ASP 19 HA ASP 19 -5.719 -14.240 -2.906 161 HB2 ASP 19 1HB ASP 19 -4.068 -13.870 -4.720 162 HB3 ASP 19 2HB ASP 19 -2.941 -13.192 -3.540 163 H HIS 20 H HIS 20 -5.753 -14.954 -0.869 164 HA HIS 20 HA HIS 20 -3.892 -13.726 1.147 165 HB2 HIS 20 1HB HIS 20 -5.656 -14.351 2.818 166 HB3 HIS 20 2HB HIS 20 -6.167 -13.115 1.671 167 HD1 HIS 20 HD1 HIS 20 -6.166 -16.103 -0.235 168 HD2 HIS 20 HD2 HIS 20 -8.737 -14.551 2.656 169 HE1 HIS 20 HE1 HIS 20 -8.382 -17.299 -0.527 170 HA PRO 21 HA PRO 21 -2.646 -18.172 0.546 171 HB2 PRO 21 1HB PRO 21 -0.268 -17.005 1.962 172 HB3 PRO 21 2HB PRO 21 -0.322 -18.076 0.546 173 HG2 PRO 21 1HG PRO 21 0.226 -15.490 0.278 174 HG3 PRO 21 2HG PRO 21 -0.775 -16.339 -0.916 175 HD2 PRO 21 1HD PRO 21 -1.623 -14.436 1.244 176 HD3 PRO 21 2HD PRO 21 -2.284 -14.651 -0.392 177 H TRP 22 H TRP 22 -2.347 -16.075 3.395 178 HA TRP 22 HA TRP 22 -2.438 -18.406 5.211 179 HB2 TRP 22 1HB TRP 22 -2.607 -16.283 6.894 180 HB3 TRP 22 2HB TRP 22 -1.076 -16.855 6.241 181 HD1 TRP 22 HD1 TRP 22 -3.779 -14.721 4.475 182 HE1 TRP 22 HE1 TRP 22 -2.659 -12.549 3.649 183 HE3 TRP 22 HE3 TRP 22 0.919 -15.377 6.363 184 HZ2 TRP 22 HZ2 TRP 22 -0.104 -11.260 3.775 185 HZ3 TRP 22 HZ3 TRP 22 2.675 -13.668 5.996 186 HH2 TRP 22 HH2 TRP 22 2.171 -11.612 4.707 187 H GLU 23 H GLU 23 -4.545 -19.171 4.575 188 HA GLU 23 HA GLU 23 -6.949 -17.699 4.564 189 HB2 GLU 23 1HB GLU 23 -8.067 -19.853 4.939 190 HB3 GLU 23 2HB GLU 23 -6.727 -20.058 3.811 191 HG2 GLU 23 1HG GLU 23 -5.288 -20.812 5.700 192 HG3 GLU 23 2HG GLU 23 -6.682 -20.699 6.776 193 H LYS 24 H LYS 24 -4.883 -18.405 7.186 194 HA LYS 24 HA LYS 24 -6.908 -18.394 9.273 195 HB2 LYS 24 1HB LYS 24 -3.912 -17.960 9.371 196 HB3 LYS 24 2HB LYS 24 -4.941 -18.142 10.792 197 HG2 LYS 24 1HG LYS 24 -5.671 -20.365 9.952 198 HG3 LYS 24 2HG LYS 24 -4.570 -20.195 8.588 199 HD2 LYS 24 1HD LYS 24 -3.653 -20.055 11.472 200 HD3 LYS 24 2HD LYS 24 -3.682 -21.556 10.551 201 HE2 LYS 24 1HE LYS 24 -2.258 -20.320 8.798 202 HE3 LYS 24 2HE LYS 24 -2.016 -19.086 10.035 203 HZ1 LYS 24 3HZ LYS 24 -1.610 -21.739 11.025 204 HZ2 LYS 24 1HZ LYS 24 -0.606 -20.376 11.136 205 HZ3 LYS 24 2HZ LYS 24 -0.556 -21.357 9.750 206 H PHE 25 H PHE 25 -5.827 -16.011 7.230 207 HA PHE 25 HA PHE 25 -6.724 -13.885 9.120 208 HB2 PHE 25 1HB PHE 25 -4.105 -13.978 7.609 209 HB3 PHE 25 2HB PHE 25 -4.826 -12.447 8.100 210 HD1 PHE 25 HD2 PHE 25 -5.367 -12.070 10.554 211 HD2 PHE 25 HD1 PHE 25 -2.939 -15.336 9.177 212 HE1 PHE 25 HE2 PHE 25 -4.472 -12.372 12.847 213 HE2 PHE 25 HE1 PHE 25 -2.044 -15.637 11.470 214 HZ PHE 25 HZ PHE 25 -2.812 -14.156 13.306 215 HA PRO 26 HA PRO 26 -8.748 -13.769 4.901 216 HB2 PRO 26 1HB PRO 26 -10.961 -12.804 6.678 217 HB3 PRO 26 2HB PRO 26 -11.011 -13.997 5.364 218 HG2 PRO 26 1HG PRO 26 -11.125 -14.760 7.911 219 HG3 PRO 26 2HG PRO 26 -10.231 -15.710 6.710 220 HD2 PRO 26 1HD PRO 26 -9.164 -13.849 8.815 221 HD3 PRO 26 2HD PRO 26 -8.500 -15.395 8.238 222 H ASP 27 H ASP 27 -8.595 -11.497 7.593 223 HA ASP 27 HA ASP 27 -9.368 -9.149 6.118 224 HB2 ASP 27 1HB ASP 27 -7.744 -9.553 8.643 225 HB3 ASP 27 2HB ASP 27 -8.160 -7.958 8.017 226 H TYR 28 H TYR 28 -6.527 -11.063 6.139 227 HA TYR 28 HA TYR 28 -4.798 -8.857 5.164 228 HB2 TYR 28 1HB TYR 28 -4.330 -11.748 5.914 229 HB3 TYR 28 2HB TYR 28 -3.115 -10.837 5.021 230 HD1 TYR 28 HD2 TYR 28 -5.423 -10.166 7.933 231 HD2 TYR 28 HD1 TYR 28 -1.430 -9.931 6.357 232 HE1 TYR 28 HE2 TYR 28 -4.660 -9.105 10.028 233 HE2 TYR 28 HE1 TYR 28 -0.671 -8.872 8.464 234 HH TYR 28 HH TYR 28 -1.306 -8.642 10.737 235 H ALA 29 H ALA 29 -4.383 -8.539 3.043 236 HA ALA 29 HA ALA 29 -5.157 -10.670 1.075 237 HB1 ALA 29 3HB ALA 29 -5.679 -7.684 0.876 238 HB2 ALA 29 1HB ALA 29 -6.902 -8.936 1.098 239 HB3 ALA 29 2HB ALA 29 -5.982 -8.856 -0.404 240 H VAL 30 H VAL 30 -3.714 -10.904 -0.614 241 HA VAL 30 HA VAL 30 -1.418 -8.975 -0.770 242 HB VAL 30 HB VAL 30 -1.240 -11.996 -0.964 243 HG11 VAL 30 1HG1 VAL 30 0.434 -10.939 -2.329 244 HG12 VAL 30 2HG1 VAL 30 1.233 -11.447 -0.841 245 HG13 VAL 30 3HG1 VAL 30 0.793 -9.755 -1.072 246 HG21 VAL 30 3HG2 VAL 30 0.159 -11.594 1.185 247 HG22 VAL 30 1HG2 VAL 30 -1.598 -11.553 1.327 248 HG23 VAL 30 2HG2 VAL 30 -0.683 -10.047 1.276 249 H PHE 31 H PHE 31 -0.960 -8.353 -2.830 250 HA PHE 31 HA PHE 31 -2.441 -9.737 -5.053 251 HB2 PHE 31 1HB PHE 31 -1.334 -6.926 -4.831 252 HB3 PHE 31 2HB PHE 31 -2.097 -7.589 -6.274 253 HD1 PHE 31 HD2 PHE 31 -4.493 -8.150 -6.286 254 HD2 PHE 31 HD1 PHE 31 -2.619 -6.379 -2.851 255 HE1 PHE 31 HE2 PHE 31 -6.723 -7.603 -5.350 256 HE2 PHE 31 HE1 PHE 31 -4.846 -5.834 -1.916 257 HZ PHE 31 HZ PHE 31 -6.892 -6.444 -3.163 258 H ARG 32 H ARG 32 -1.276 -10.431 -6.874 259 HA ARG 32 HA ARG 32 1.703 -10.049 -6.810 260 HB2 ARG 32 1HB ARG 32 1.127 -12.284 -5.910 261 HB3 ARG 32 2HB ARG 32 0.229 -12.639 -7.385 262 HG2 ARG 32 1HG ARG 32 2.240 -12.466 -8.724 263 HG3 ARG 32 2HG ARG 32 3.163 -11.908 -7.334 264 HD2 ARG 32 1HD ARG 32 3.621 -14.273 -7.681 265 HD3 ARG 32 2HD ARG 32 2.690 -14.081 -6.195 266 HE ARG 32 HE ARG 32 0.932 -14.518 -8.439 267 HH11 ARG 32 1HH2 ARG 32 3.159 -16.030 -6.276 268 HH12 ARG 32 2HH2 ARG 32 2.423 -17.592 -6.404 269 HH21 ARG 32 1HH1 ARG 32 -0.035 -16.548 -8.614 270 HH22 ARG 32 2HH1 ARG 32 0.616 -17.885 -7.728 271 H HIS 33 H HIS 33 2.489 -9.386 -8.711 272 HA HIS 33 HA HIS 33 0.735 -9.502 -11.129 273 HB2 HIS 33 1HB HIS 33 3.122 -7.771 -10.425 274 HB3 HIS 33 2HB HIS 33 2.324 -7.758 -11.999 275 HD1 HIS 33 HD1 HIS 33 1.656 -6.991 -8.351 276 HD2 HIS 33 HD2 HIS 33 -0.113 -6.361 -12.073 277 HE1 HIS 33 HE1 HIS 33 -0.281 -5.406 -7.965 278 H SER 34 H SER 34 1.198 -11.266 -12.360 279 HA SER 34 HA SER 34 3.913 -12.431 -12.343 280 HB2 SER 34 1HB SER 34 2.873 -14.184 -13.752 281 HB3 SER 34 2HB SER 34 1.961 -13.919 -12.268 282 HG SER 34 HG SER 34 0.355 -13.612 -13.589 283 H ASP 35 H ASP 35 2.080 -10.210 -14.212 284 HA ASP 35 HA ASP 35 3.694 -10.649 -16.666 285 HB2 ASP 35 1HB ASP 35 1.381 -8.799 -16.026 286 HB3 ASP 35 2HB ASP 35 2.208 -8.840 -17.584 287 H ASN 36 H ASN 36 4.113 -9.006 -13.817 288 HA ASN 36 HA ASN 36 5.645 -6.779 -15.135 289 HB2 ASN 36 1HB ASN 36 3.758 -6.032 -13.707 290 HB3 ASN 36 2HB ASN 36 4.477 -6.881 -12.338 291 HD21 ASN 36 2HD2 ASN 36 5.470 -4.481 -14.846 292 HD22 ASN 36 1HD2 ASN 36 6.417 -3.550 -13.795 293 H ASP 37 H ASP 37 6.558 -9.558 -14.581 294 HA ASP 37 HA ASP 37 8.371 -10.672 -13.582 295 HB2 ASP 37 1HB ASP 37 9.507 -9.050 -15.079 296 HB3 ASP 37 2HB ASP 37 9.559 -7.889 -13.754 297 H LYS 38 H LYS 38 9.180 -7.598 -12.035 298 HA LYS 38 HA LYS 38 9.251 -8.930 -9.434 299 HB2 LYS 38 1HB LYS 38 10.920 -7.210 -10.078 300 HB3 LYS 38 2HB LYS 38 9.634 -6.006 -10.150 301 HG2 LYS 38 1HG LYS 38 9.140 -6.358 -7.772 302 HG3 LYS 38 2HG LYS 38 10.382 -7.608 -7.687 303 HD2 LYS 38 1HD LYS 38 12.095 -5.940 -8.314 304 HD3 LYS 38 2HD LYS 38 10.849 -4.693 -8.376 305 HE2 LYS 38 1HE LYS 38 10.340 -5.069 -5.996 306 HE3 LYS 38 2HE LYS 38 11.573 -6.327 -5.927 307 HZ1 LYS 38 3HZ LYS 38 12.826 -4.596 -5.256 308 HZ2 LYS 38 1HZ LYS 38 11.874 -3.435 -6.046 309 HZ3 LYS 38 2HZ LYS 38 13.003 -4.351 -6.928 310 H TRP 39 H TRP 39 7.707 -8.776 -7.827 311 HA TRP 39 HA TRP 39 5.495 -6.799 -8.159 312 HB2 TRP 39 1HB TRP 39 3.792 -8.458 -7.948 313 HB3 TRP 39 2HB TRP 39 4.889 -9.061 -9.188 314 HD1 TRP 39 HD1 TRP 39 4.142 -9.504 -5.426 315 HE1 TRP 39 HE1 TRP 39 4.877 -11.873 -4.722 316 HE3 TRP 39 HE3 TRP 39 6.263 -11.100 -9.782 317 HZ2 TRP 39 HZ2 TRP 39 6.194 -14.144 -5.858 318 HZ3 TRP 39 HZ3 TRP 39 7.253 -13.365 -9.947 319 HH2 TRP 39 HH2 TRP 39 7.220 -14.889 -7.992 320 H TYR 40 H TYR 40 4.667 -6.066 -6.226 321 HA TYR 40 HA TYR 40 5.055 -7.547 -3.749 322 HB2 TYR 40 1HB TYR 40 6.720 -5.112 -4.398 323 HB3 TYR 40 2HB TYR 40 6.247 -5.425 -2.728 324 HD1 TYR 40 HD2 TYR 40 6.879 -7.594 -1.642 325 HD2 TYR 40 HD1 TYR 40 8.418 -6.418 -5.475 326 HE1 TYR 40 HE2 TYR 40 8.681 -9.282 -1.434 327 HE2 TYR 40 HE1 TYR 40 10.219 -8.111 -5.268 328 HH TYR 40 HH TYR 40 10.673 -10.173 -4.078 329 H ALA 41 H ALA 41 3.142 -7.206 -2.747 330 HA ALA 41 HA ALA 41 2.083 -4.489 -2.463 331 HB1 ALA 41 3HB ALA 41 0.868 -6.512 -4.302 332 HB2 ALA 41 1HB ALA 41 0.932 -4.758 -4.462 333 HB3 ALA 41 2HB ALA 41 -0.228 -5.499 -3.360 334 H LEU 42 H LEU 42 1.928 -4.632 -0.256 335 HA LEU 42 HA LEU 42 0.502 -7.014 0.894 336 HB2 LEU 42 1HB LEU 42 2.751 -5.280 1.872 337 HB3 LEU 42 2HB LEU 42 1.670 -5.985 3.069 338 HG LEU 42 HG LEU 42 3.705 -7.382 2.551 339 HD11 LEU 42 1HD1 LEU 42 1.383 -9.028 1.623 340 HD12 LEU 42 2HD1 LEU 42 1.222 -8.235 3.188 341 HD13 LEU 42 3HD1 LEU 42 2.556 -9.344 2.897 342 HD21 LEU 42 3HD2 LEU 42 4.044 -8.347 0.439 343 HD22 LEU 42 1HD2 LEU 42 3.490 -6.726 0.018 344 HD23 LEU 42 2HD2 LEU 42 2.373 -8.089 -0.060 345 H LEU 43 H LEU 43 -1.455 -6.632 1.664 346 HA LEU 43 HA LEU 43 -2.170 -3.852 2.544 347 HB2 LEU 43 1HB LEU 43 -3.257 -4.450 0.395 348 HB3 LEU 43 2HB LEU 43 -3.959 -5.878 1.145 349 HG LEU 43 HG LEU 43 -4.386 -3.131 2.343 350 HD11 LEU 43 1HD1 LEU 43 -5.817 -4.362 -0.009 351 HD12 LEU 43 2HD1 LEU 43 -5.157 -2.736 0.160 352 HD13 LEU 43 3HD1 LEU 43 -6.614 -3.188 1.046 353 HD21 LEU 43 3HD2 LEU 43 -5.544 -5.863 2.707 354 HD22 LEU 43 1HD2 LEU 43 -6.695 -4.532 2.731 355 HD23 LEU 43 2HD2 LEU 43 -5.349 -4.548 3.860 356 H MET 44 H MET 44 -2.459 -3.897 4.715 357 HA MET 44 HA MET 44 -4.203 -5.915 5.904 358 HB2 MET 44 1HB MET 44 -2.316 -6.544 7.608 359 HB3 MET 44 2HB MET 44 -2.340 -7.342 6.039 360 HG2 MET 44 1HG MET 44 -0.680 -5.712 5.187 361 HG3 MET 44 2HG MET 44 -0.649 -4.933 6.770 362 HE1 MET 44 3HE MET 44 2.737 -6.834 6.247 363 HE2 MET 44 1HE MET 44 2.118 -5.405 7.087 364 HE3 MET 44 2HE MET 44 1.733 -5.667 5.387 365 H ASP 45 H ASP 45 -4.375 -5.525 8.322 366 HA ASP 45 HA ASP 45 -4.045 -2.604 8.888 367 HB2 ASP 45 1HB ASP 45 -5.847 -2.952 10.568 368 HB3 ASP 45 2HB ASP 45 -6.372 -3.327 8.928 369 H ILE 46 H ILE 46 -2.369 -2.163 10.179 370 HA ILE 46 HA ILE 46 -1.601 -4.186 12.241 371 HB ILE 46 HB ILE 46 0.694 -3.177 12.101 372 HG12 ILE 46 1HG1 ILE 46 -0.428 -1.932 9.571 373 HG13 ILE 46 2HG1 ILE 46 -0.043 -1.035 11.041 374 HG21 ILE 46 1HG2 ILE 46 0.053 -5.292 10.978 375 HG22 ILE 46 2HG2 ILE 46 1.267 -4.402 10.059 376 HG23 ILE 46 3HG2 ILE 46 -0.421 -4.375 9.548 377 HD11 ILE 46 3HD1 ILE 46 2.301 -1.835 10.896 378 HD12 ILE 46 1HD1 ILE 46 1.837 -0.902 9.472 379 HD13 ILE 46 2HD1 ILE 46 1.910 -2.662 9.389 380 HA PRO 47 HA PRO 47 -2.524 -1.288 15.486 381 HB2 PRO 47 1HB PRO 47 0.197 -1.906 16.569 382 HB3 PRO 47 2HB PRO 47 -1.378 -1.956 17.384 383 HG2 PRO 47 1HG PRO 47 -0.101 -4.185 16.590 384 HG3 PRO 47 2HG PRO 47 -1.868 -4.053 16.600 385 HD2 PRO 47 1HD PRO 47 -0.009 -4.089 14.278 386 HD3 PRO 47 2HD PRO 47 -1.728 -4.535 14.376 387 H ALA 48 H ALA 48 -2.137 0.884 15.957 388 HA ALA 48 HA ALA 48 -0.572 2.442 14.160 389 HB1 ALA 48 3HB ALA 48 -1.989 2.983 16.756 390 HB2 ALA 48 1HB ALA 48 -2.344 3.607 15.148 391 HB3 ALA 48 2HB ALA 48 -0.968 4.238 16.052 392 H GLU 49 H GLU 49 0.285 0.816 17.102 393 HA GLU 49 HA GLU 49 2.568 2.439 17.790 394 HB2 GLU 49 1HB GLU 49 1.741 -0.391 18.465 395 HB3 GLU 49 2HB GLU 49 3.246 0.310 19.062 396 HG2 GLU 49 1HG GLU 49 0.537 1.612 19.449 397 HG3 GLU 49 2HG GLU 49 1.279 0.542 20.639 398 H LYS 50 H LYS 50 2.018 0.157 15.290 399 HA LYS 50 HA LYS 50 4.830 -0.647 15.034 400 HB2 LYS 50 1HB LYS 50 2.476 -1.065 13.169 401 HB3 LYS 50 2HB LYS 50 4.040 -1.867 13.047 402 HG2 LYS 50 1HG LYS 50 2.333 -2.062 15.536 403 HG3 LYS 50 2HG LYS 50 2.153 -3.186 14.193 404 HD2 LYS 50 1HD LYS 50 4.579 -3.754 14.396 405 HD3 LYS 50 2HD LYS 50 4.675 -2.718 15.816 406 HE2 LYS 50 1HE LYS 50 2.951 -4.075 16.937 407 HE3 LYS 50 2HE LYS 50 2.877 -5.132 15.525 408 HZ1 LYS 50 3HZ LYS 50 4.522 -6.270 16.450 409 HZ2 LYS 50 1HZ LYS 50 4.770 -5.097 17.649 410 HZ3 LYS 50 2HZ LYS 50 5.540 -4.946 16.141 411 H ILE 51 H ILE 51 3.010 2.053 14.072 412 HA ILE 51 HA ILE 51 4.871 2.615 11.792 413 HB ILE 51 HB ILE 51 3.174 4.528 11.386 414 HG12 ILE 51 1HG1 ILE 51 1.536 2.727 13.200 415 HG13 ILE 51 2HG1 ILE 51 2.066 4.360 13.596 416 HG21 ILE 51 1HG2 ILE 51 1.705 3.011 10.130 417 HG22 ILE 51 2HG2 ILE 51 2.266 1.644 11.092 418 HG23 ILE 51 3HG2 ILE 51 3.378 2.469 10.001 419 HD11 ILE 51 3HD1 ILE 51 0.271 3.629 11.259 420 HD12 ILE 51 1HD1 ILE 51 0.775 5.254 11.711 421 HD13 ILE 51 2HD1 ILE 51 -0.276 4.325 12.779 422 H GLY 52 H GLY 52 4.762 3.071 15.014 423 HA2 GLY 52 1HA GLY 52 6.382 4.389 16.195 424 HA3 GLY 52 2HA GLY 52 6.484 5.479 14.813 425 H ILE 53 H ILE 53 3.259 5.081 15.180 426 HA ILE 53 HA ILE 53 3.017 7.663 16.548 427 HB ILE 53 HB ILE 53 0.932 5.781 15.414 428 HG12 ILE 53 1HG1 ILE 53 1.976 8.467 14.454 429 HG13 ILE 53 2HG1 ILE 53 2.486 6.911 13.806 430 HG21 ILE 53 1HG2 ILE 53 0.714 8.479 16.763 431 HG22 ILE 53 2HG2 ILE 53 -0.176 7.003 17.122 432 HG23 ILE 53 3HG2 ILE 53 -0.522 7.898 15.650 433 HD11 ILE 53 3HD1 ILE 53 -0.096 6.528 13.453 434 HD12 ILE 53 1HD1 ILE 53 0.804 7.518 12.305 435 HD13 ILE 53 2HD1 ILE 53 -0.174 8.283 13.555 436 H ASN 54 H ASN 54 2.289 8.013 18.600 437 HA ASN 54 HA ASN 54 2.498 5.971 20.581 438 HB2 ASN 54 1HB ASN 54 1.262 8.731 20.559 439 HB3 ASN 54 2HB ASN 54 1.234 7.721 22.005 440 HD21 ASN 54 2HD2 ASN 54 3.077 10.048 20.390 441 HD22 ASN 54 1HD2 ASN 54 4.571 9.756 21.141 442 H GLY 55 H GLY 55 -0.295 7.357 18.892 443 HA2 GLY 55 1HA GLY 55 -2.457 6.373 20.275 444 HA3 GLY 55 2HA GLY 55 -2.413 6.397 18.514 445 H ASP 56 H ASP 56 -3.434 4.409 20.626 446 HA ASP 56 HA ASP 56 -1.938 1.974 19.752 447 HB2 ASP 56 1HB ASP 56 -3.191 0.860 21.614 448 HB3 ASP 56 2HB ASP 56 -2.181 2.192 22.174 449 H LYS 57 H LYS 57 -4.192 3.702 18.425 450 HA LYS 57 HA LYS 57 -6.337 1.730 18.128 451 HB2 LYS 57 1HB LYS 57 -6.806 4.157 18.078 452 HB3 LYS 57 2HB LYS 57 -5.833 4.308 16.612 453 HG2 LYS 57 1HG LYS 57 -7.322 2.789 15.424 454 HG3 LYS 57 2HG LYS 57 -8.258 2.518 16.893 455 HD2 LYS 57 1HD LYS 57 -8.853 4.923 16.945 456 HD3 LYS 57 2HD LYS 57 -7.932 5.176 15.463 457 HE2 LYS 57 1HE LYS 57 -9.433 3.369 14.416 458 HE3 LYS 57 2HE LYS 57 -10.464 3.568 15.832 459 HZ1 LYS 57 3HZ LYS 57 -9.630 5.994 14.443 460 HZ2 LYS 57 1HZ LYS 57 -11.105 5.628 15.196 461 HZ3 LYS 57 2HZ LYS 57 -10.766 5.009 13.651 462 H ARG 58 H ARG 58 -6.723 0.443 16.340 463 HA ARG 58 HA ARG 58 -4.438 -0.323 14.742 464 HB2 ARG 58 1HB ARG 58 -7.366 -1.077 14.566 465 HB3 ARG 58 2HB ARG 58 -6.089 -1.829 13.606 466 HG2 ARG 58 1HG ARG 58 -4.951 -2.569 15.640 467 HG3 ARG 58 2HG ARG 58 -6.156 -1.752 16.636 468 HD2 ARG 58 1HD ARG 58 -6.707 -4.123 16.514 469 HD3 ARG 58 2HD ARG 58 -7.918 -3.206 15.618 470 HE ARG 58 HE ARG 58 -5.827 -4.002 13.829 471 HH11 ARG 58 1HH2 ARG 58 -8.459 -5.223 15.704 472 HH12 ARG 58 2HH2 ARG 58 -8.766 -6.555 14.639 473 HH21 ARG 58 1HH1 ARG 58 -6.216 -5.734 12.440 474 HH22 ARG 58 2HH1 ARG 58 -7.498 -6.843 12.793 475 H VAL 59 H VAL 59 -4.052 0.061 12.547 476 HA VAL 59 HA VAL 59 -5.946 1.888 11.126 477 HB VAL 59 HB VAL 59 -4.018 3.195 10.297 478 HG11 VAL 59 1HG1 VAL 59 -5.359 3.797 12.375 479 HG12 VAL 59 2HG1 VAL 59 -3.753 4.517 12.281 480 HG13 VAL 59 3HG1 VAL 59 -4.035 3.122 13.324 481 HG21 VAL 59 3HG2 VAL 59 -2.139 1.783 10.453 482 HG22 VAL 59 1HG2 VAL 59 -2.524 1.282 12.098 483 HG23 VAL 59 2HG2 VAL 59 -1.882 2.894 11.796 484 H ASP 60 H ASP 60 -5.535 1.944 8.770 485 HA ASP 60 HA ASP 60 -4.737 -0.761 7.819 486 HB2 ASP 60 1HB ASP 60 -6.293 1.492 6.542 487 HB3 ASP 60 2HB ASP 60 -5.855 0.003 5.702 488 H VAL 61 H VAL 61 -2.984 -1.071 6.474 489 HA VAL 61 HA VAL 61 -1.603 1.359 5.394 490 HB VAL 61 HB VAL 61 0.535 0.587 6.124 491 HG11 VAL 61 1HG1 VAL 61 0.301 0.695 8.511 492 HG12 VAL 61 2HG1 VAL 61 -1.337 0.043 8.441 493 HG13 VAL 61 3HG1 VAL 61 -1.006 1.665 7.832 494 HG21 VAL 61 3HG2 VAL 61 0.642 -1.580 7.512 495 HG22 VAL 61 1HG2 VAL 61 0.425 -1.775 5.772 496 HG23 VAL 61 2HG2 VAL 61 -0.954 -1.947 6.857 497 H ILE 62 H ILE 62 -0.272 0.958 3.562 498 HA ILE 62 HA ILE 62 -0.603 -1.698 2.235 499 HB ILE 62 HB ILE 62 -1.149 -0.549 0.100 500 HG12 ILE 62 1HG1 ILE 62 -1.443 1.919 1.848 501 HG13 ILE 62 2HG1 ILE 62 -0.131 1.654 0.701 502 HG21 ILE 62 1HG2 ILE 62 -3.039 0.136 2.369 503 HG22 ILE 62 2HG2 ILE 62 -2.934 -1.437 1.579 504 HG23 ILE 62 3HG2 ILE 62 -3.474 -0.027 0.668 505 HD11 ILE 62 3HD1 ILE 62 -1.877 3.037 -0.324 506 HD12 ILE 62 1HD1 ILE 62 -3.080 1.793 0.015 507 HD13 ILE 62 2HD1 ILE 62 -1.784 1.474 -1.136 508 H ASP 63 H ASP 63 1.079 -2.168 0.742 509 HA ASP 63 HA ASP 63 3.595 -0.790 1.337 510 HB2 ASP 63 1HB ASP 63 3.561 -3.224 1.122 511 HB3 ASP 63 2HB ASP 63 2.948 -3.091 -0.527 512 H LEU 64 H LEU 64 4.939 0.233 -0.269 513 HA LEU 64 HA LEU 64 3.655 0.829 -2.894 514 HB2 LEU 64 1HB LEU 64 3.290 2.632 -0.975 515 HB3 LEU 64 2HB LEU 64 4.947 3.079 -1.358 516 HG LEU 64 HG LEU 64 3.470 4.458 -2.686 517 HD11 LEU 64 1HD1 LEU 64 5.559 3.360 -3.729 518 HD12 LEU 64 2HD1 LEU 64 4.386 4.087 -4.823 519 HD13 LEU 64 3HD1 LEU 64 4.420 2.340 -4.606 520 HD21 LEU 64 3HD2 LEU 64 2.275 2.158 -4.194 521 HD22 LEU 64 1HD2 LEU 64 1.589 3.731 -3.802 522 HD23 LEU 64 2HD2 LEU 64 1.635 2.466 -2.580 523 H LYS 65 H LYS 65 5.154 0.480 -4.471 524 HA LYS 65 HA LYS 65 7.973 0.104 -3.710 525 HB2 LYS 65 1HB LYS 65 7.939 -0.198 -6.431 526 HB3 LYS 65 2HB LYS 65 7.506 -1.488 -5.313 527 HG2 LYS 65 1HG LYS 65 5.171 -1.053 -5.548 528 HG3 LYS 65 2HG LYS 65 5.467 0.477 -6.375 529 HD2 LYS 65 1HD LYS 65 6.461 -0.698 -8.263 530 HD3 LYS 65 2HD LYS 65 6.252 -2.247 -7.443 531 HE2 LYS 65 1HE LYS 65 3.970 -0.379 -8.148 532 HE3 LYS 65 2HE LYS 65 4.455 -1.756 -9.134 533 HZ1 LYS 65 3HZ LYS 65 4.246 -2.916 -6.759 534 HZ2 LYS 65 1HZ LYS 65 2.957 -2.813 -7.858 535 HZ3 LYS 65 2HZ LYS 65 3.073 -1.699 -6.581 536 H VAL 66 H VAL 66 9.553 1.614 -4.006 537 HA VAL 66 HA VAL 66 9.085 3.870 -5.902 538 HB VAL 66 HB VAL 66 9.801 5.512 -4.252 539 HG11 VAL 66 1HG1 VAL 66 7.689 3.826 -2.905 540 HG12 VAL 66 2HG1 VAL 66 7.363 4.694 -4.407 541 HG13 VAL 66 3HG1 VAL 66 7.824 5.581 -2.959 542 HG21 VAL 66 3HG2 VAL 66 10.065 3.077 -2.472 543 HG22 VAL 66 1HG2 VAL 66 9.992 4.720 -1.833 544 HG23 VAL 66 2HG2 VAL 66 11.315 4.245 -2.898 545 H GLN 67 H GLN 67 11.147 5.085 -6.273 546 HA GLN 67 HA GLN 67 13.371 3.162 -6.491 547 HB2 GLN 67 1HB GLN 67 12.600 5.771 -7.723 548 HB3 GLN 67 2HB GLN 67 14.332 5.475 -7.599 549 HG2 GLN 67 1HG GLN 67 14.051 3.316 -8.761 550 HG3 GLN 67 2HG GLN 67 12.316 3.597 -8.873 551 HE21 GLN 67 2HE2 GLN 67 12.865 6.585 -9.356 552 HE22 GLN 67 1HE2 GLN 67 13.345 6.660 -10.983 553 HA PRO 68 HA PRO 68 15.724 4.605 -3.039 554 HB2 PRO 68 1HB PRO 68 18.277 4.830 -4.154 555 HB3 PRO 68 2HB PRO 68 17.537 3.305 -3.628 556 HG2 PRO 68 1HG PRO 68 17.729 4.462 -6.374 557 HG3 PRO 68 2HG PRO 68 17.901 2.779 -5.843 558 HD2 PRO 68 1HD PRO 68 15.633 3.659 -7.015 559 HD3 PRO 68 2HD PRO 68 15.595 2.436 -5.728 560 H GLU 69 H GLU 69 15.699 6.455 -5.977 561 HA GLU 69 HA GLU 69 16.849 8.855 -4.647 562 HB2 GLU 69 1HB GLU 69 17.484 8.205 -7.004 563 HB3 GLU 69 2HB GLU 69 15.823 8.544 -7.486 564 HG2 GLU 69 1HG GLU 69 17.095 10.531 -7.935 565 HG3 GLU 69 2HG GLU 69 16.126 10.865 -6.500 566 H LEU 70 H LEU 70 13.810 7.514 -5.782 567 HA LEU 70 HA LEU 70 12.375 10.065 -5.274 568 HB2 LEU 70 1HB LEU 70 11.358 7.376 -6.251 569 HB3 LEU 70 2HB LEU 70 10.440 8.880 -6.216 570 HG LEU 70 HG LEU 70 12.991 8.435 -7.798 571 HD11 LEU 70 1HD1 LEU 70 10.939 7.177 -8.581 572 HD12 LEU 70 2HD1 LEU 70 11.590 8.323 -9.752 573 HD13 LEU 70 3HD1 LEU 70 10.154 8.737 -8.816 574 HD21 LEU 70 3HD2 LEU 70 12.932 10.748 -7.415 575 HD22 LEU 70 1HD2 LEU 70 11.170 10.805 -7.374 576 HD23 LEU 70 2HD2 LEU 70 12.016 10.623 -8.912 577 H VAL 71 H VAL 71 13.386 7.442 -3.469 578 HA VAL 71 HA VAL 71 11.048 6.867 -1.902 579 HB VAL 71 HB VAL 71 13.067 5.430 -1.890 580 HG11 VAL 71 1HG1 VAL 71 14.635 7.468 -1.930 581 HG12 VAL 71 2HG1 VAL 71 15.120 6.113 -0.911 582 HG13 VAL 71 3HG1 VAL 71 14.390 7.545 -0.186 583 HG21 VAL 71 3HG2 VAL 71 12.665 6.568 0.883 584 HG22 VAL 71 1HG2 VAL 71 13.005 4.897 0.433 585 HG23 VAL 71 2HG2 VAL 71 11.427 5.601 0.081 586 H GLY 72 H GLY 72 13.571 9.345 -1.644 587 HA2 GLY 72 1HA GLY 72 12.865 10.302 0.952 588 HA3 GLY 72 2HA GLY 72 13.700 11.247 -0.279 589 H SER 73 H SER 73 11.705 11.257 -2.288 590 HA SER 73 HA SER 73 10.077 13.433 -1.435 591 HB2 SER 73 1HB SER 73 9.708 11.552 -3.779 592 HB3 SER 73 2HB SER 73 8.866 13.087 -3.573 593 HG SER 73 HG SER 73 11.144 12.755 -4.722 594 H LEU 74 H LEU 74 9.306 9.972 -1.795 595 HA LEU 74 HA LEU 74 6.552 10.415 -0.863 596 HB2 LEU 74 1HB LEU 74 6.866 8.732 -2.536 597 HB3 LEU 74 2HB LEU 74 8.136 7.938 -1.613 598 HG LEU 74 HG LEU 74 5.536 8.201 -0.178 599 HD11 LEU 74 1HD1 LEU 74 4.712 6.087 -1.447 600 HD12 LEU 74 2HD1 LEU 74 5.789 6.636 -2.732 601 HD13 LEU 74 3HD1 LEU 74 4.468 7.665 -2.191 602 HD21 LEU 74 3HD2 LEU 74 7.391 5.851 -0.683 603 HD22 LEU 74 1HD2 LEU 74 6.062 5.884 0.473 604 HD23 LEU 74 2HD2 LEU 74 7.467 6.917 0.716 605 H ARG 75 H ARG 75 9.613 9.262 0.479 606 HA ARG 75 HA ARG 75 8.412 8.212 2.915 607 HB2 ARG 75 1HB ARG 75 10.590 7.408 2.009 608 HB3 ARG 75 2HB ARG 75 11.297 8.982 2.365 609 HG2 ARG 75 1HG ARG 75 10.749 8.669 4.768 610 HG3 ARG 75 2HG ARG 75 10.081 7.082 4.397 611 HD2 ARG 75 1HD ARG 75 12.307 6.409 3.479 612 HD3 ARG 75 2HD ARG 75 12.956 7.964 4.001 613 HE ARG 75 HE ARG 75 12.247 5.705 5.742 614 HH11 ARG 75 1HH2 ARG 75 12.910 9.078 5.414 615 HH12 ARG 75 2HH2 ARG 75 13.371 9.278 7.071 616 HH21 ARG 75 1HH1 ARG 75 12.834 5.956 7.903 617 HH22 ARG 75 2HH1 ARG 75 13.328 7.512 8.479 618 H LYS 76 H LYS 76 9.451 11.355 1.854 619 HA LYS 76 HA LYS 76 9.682 12.405 4.599 620 HB2 LYS 76 1HB LYS 76 10.234 14.502 3.555 621 HB3 LYS 76 2HB LYS 76 11.078 13.235 2.671 622 HG2 LYS 76 1HG LYS 76 10.146 14.141 0.789 623 HG3 LYS 76 2HG LYS 76 8.653 13.371 1.306 624 HD2 LYS 76 1HD LYS 76 8.069 15.443 2.575 625 HD3 LYS 76 2HD LYS 76 9.525 16.207 1.935 626 HE2 LYS 76 1HE LYS 76 7.772 16.885 0.468 627 HE3 LYS 76 2HE LYS 76 8.630 15.607 -0.393 628 HZ1 LYS 76 3HZ LYS 76 6.475 14.730 1.335 629 HZ2 LYS 76 1HZ LYS 76 6.905 14.205 -0.220 630 HZ3 LYS 76 2HZ LYS 76 5.996 15.628 -0.026 631 H LYS 77 H LYS 77 7.150 11.572 2.618 632 HA LYS 77 HA LYS 77 5.414 13.848 3.110 633 HB2 LYS 77 1HB LYS 77 5.048 11.079 1.992 634 HB3 LYS 77 2HB LYS 77 3.631 12.051 2.379 635 HG2 LYS 77 1HG LYS 77 4.540 13.873 0.933 636 HG3 LYS 77 2HG LYS 77 5.875 12.808 0.488 637 HD2 LYS 77 1HD LYS 77 4.219 11.145 -0.356 638 HD3 LYS 77 2HD LYS 77 2.930 12.298 -0.009 639 HE2 LYS 77 1HE LYS 77 5.187 12.584 -2.001 640 HE3 LYS 77 2HE LYS 77 3.453 12.590 -2.322 641 HZ1 LYS 77 3HZ LYS 77 3.761 14.805 -2.268 642 HZ2 LYS 77 1HZ LYS 77 5.161 14.712 -1.314 643 HZ3 LYS 77 2HZ LYS 77 3.630 14.589 -0.587 644 HA PRO 78 HA PRO 78 4.016 12.651 7.182 645 HB2 PRO 78 1HB PRO 78 1.573 13.795 7.263 646 HB3 PRO 78 2HB PRO 78 3.058 14.755 7.261 647 HG2 PRO 78 1HG PRO 78 1.223 14.119 4.986 648 HG3 PRO 78 2HG PRO 78 1.977 15.665 5.426 649 HD2 PRO 78 1HD PRO 78 2.992 14.057 3.463 650 HD3 PRO 78 2HD PRO 78 4.021 15.098 4.473 651 H GLY 79 H GLY 79 2.686 11.139 8.276 652 HA2 GLY 79 1HA GLY 79 1.153 9.364 8.508 653 HA3 GLY 79 2HA GLY 79 0.468 9.802 6.946 654 H ILE 80 H ILE 80 3.346 9.700 5.864 655 HA ILE 80 HA ILE 80 3.288 6.772 5.309 656 HB ILE 80 HB ILE 80 4.849 9.007 3.980 657 HG12 ILE 80 1HG1 ILE 80 2.356 7.506 3.118 658 HG13 ILE 80 2HG1 ILE 80 2.373 9.153 3.733 659 HG21 ILE 80 1HG2 ILE 80 5.191 7.268 2.213 660 HG22 ILE 80 2HG2 ILE 80 4.431 6.085 3.278 661 HG23 ILE 80 3HG2 ILE 80 5.955 6.841 3.744 662 HD11 ILE 80 3HD1 ILE 80 4.283 8.940 1.581 663 HD12 ILE 80 1HD1 ILE 80 2.840 9.944 1.685 664 HD13 ILE 80 2HD1 ILE 80 2.729 8.305 1.052 665 H TYR 81 H TYR 81 4.562 5.571 6.596 666 HA TYR 81 HA TYR 81 7.137 6.751 7.548 667 HB2 TYR 81 1HB TYR 81 5.572 4.655 9.047 668 HB3 TYR 81 2HB TYR 81 6.881 5.671 9.644 669 HD1 TYR 81 HD1 TYR 81 6.539 8.123 9.952 670 HD2 TYR 81 HD2 TYR 81 3.321 5.452 8.981 671 HE1 TYR 81 HE1 TYR 81 4.899 9.839 10.671 672 HE2 TYR 81 HE2 TYR 81 1.681 7.166 9.698 673 HH TYR 81 HH TYR 81 1.469 9.110 10.900 674 HA PRO 82 HA PRO 82 9.281 3.313 5.778 675 HB2 PRO 82 1HB PRO 82 10.709 2.815 8.352 676 HB3 PRO 82 2HB PRO 82 11.369 3.228 6.760 677 HG2 PRO 82 1HG PRO 82 11.333 5.009 8.734 678 HG3 PRO 82 2HG PRO 82 11.019 5.488 7.058 679 HD2 PRO 82 1HD PRO 82 9.059 5.059 9.285 680 HD3 PRO 82 2HD PRO 82 9.116 6.338 8.054 681 H ALA 83 H ALA 83 9.320 0.985 5.737 682 HA ALA 83 HA ALA 83 7.104 -0.342 6.835 683 HB1 ALA 83 3HB ALA 83 9.765 -1.430 5.893 684 HB2 ALA 83 1HB ALA 83 8.274 -1.297 4.959 685 HB3 ALA 83 2HB ALA 83 8.383 -2.452 6.288 686 H TYR 84 H TYR 84 6.738 -1.513 8.694 687 HA TYR 84 HA TYR 84 8.457 -0.972 10.974 688 HB2 TYR 84 1HB TYR 84 6.807 -2.248 12.246 689 HB3 TYR 84 2HB TYR 84 5.970 -1.161 11.139 690 HD1 TYR 84 HD1 TYR 84 4.819 -2.018 9.145 691 HD2 TYR 84 HD2 TYR 84 6.801 -4.665 11.890 692 HE1 TYR 84 HE1 TYR 84 3.633 -3.952 8.140 693 HE2 TYR 84 HE2 TYR 84 5.616 -6.596 10.883 694 HH TYR 84 HH TYR 84 3.733 -6.282 7.961 695 H HIS 85 H HIS 85 9.019 -2.937 8.480 696 HA HIS 85 HA HIS 85 10.751 -4.680 10.073 697 HB2 HIS 85 1HB HIS 85 9.837 -6.788 9.244 698 HB3 HIS 85 2HB HIS 85 8.594 -5.902 10.128 699 HD1 HIS 85 HD1 HIS 85 6.695 -4.776 8.718 700 HD2 HIS 85 HD2 HIS 85 9.331 -7.107 6.484 701 HE1 HIS 85 HE1 HIS 85 5.597 -5.137 6.464 702 H MET 86 H MET 86 11.575 -6.478 8.281 703 HA MET 86 HA MET 86 13.447 -5.332 6.679 704 HB2 MET 86 1HB MET 86 11.786 -7.782 6.058 705 HB3 MET 86 2HB MET 86 13.239 -7.339 5.161 706 HG2 MET 86 1HG MET 86 14.512 -7.337 7.311 707 HG3 MET 86 2HG MET 86 13.064 -7.920 8.133 708 HE1 MET 86 3HE MET 86 11.833 -10.187 5.914 709 HE2 MET 86 1HE MET 86 11.815 -9.820 7.644 710 HE3 MET 86 2HE MET 86 12.433 -11.368 7.076 711 H ASN 87 H ASN 87 13.637 -4.913 4.388 712 HA ASN 87 HA ASN 87 12.991 -4.020 2.331 713 HB2 ASN 87 1HB ASN 87 10.089 -4.511 2.993 714 HB3 ASN 87 2HB ASN 87 10.886 -4.508 1.422 715 HD21 ASN 87 2HD2 ASN 87 13.015 -6.205 1.715 716 HD22 ASN 87 1HD2 ASN 87 12.499 -7.755 2.173 717 H LYS 88 H LYS 88 13.698 -2.004 3.326 718 HA LYS 88 HA LYS 88 11.445 -0.128 3.979 719 HB2 LYS 88 1HB LYS 88 12.884 -0.240 5.880 720 HB3 LYS 88 2HB LYS 88 14.335 -0.217 4.883 721 HG2 LYS 88 1HG LYS 88 13.992 2.094 4.293 722 HG3 LYS 88 2HG LYS 88 12.378 2.092 4.998 723 HD2 LYS 88 1HD LYS 88 13.280 1.866 7.224 724 HD3 LYS 88 2HD LYS 88 14.903 1.592 6.590 725 HE2 LYS 88 1HE LYS 88 13.371 4.133 6.017 726 HE3 LYS 88 2HE LYS 88 14.397 3.960 7.440 727 HZ1 LYS 88 3HZ LYS 88 15.591 3.129 4.936 728 HZ2 LYS 88 1HZ LYS 88 16.257 4.027 6.212 729 HZ3 LYS 88 2HZ LYS 88 15.269 4.793 5.060 730 H GLU 89 H GLU 89 14.441 -0.559 2.119 731 HA GLU 89 HA GLU 89 14.651 2.018 1.022 732 HB2 GLU 89 1HB GLU 89 16.364 0.241 0.809 733 HB3 GLU 89 2HB GLU 89 15.314 -0.622 -0.317 734 HG2 GLU 89 1HG GLU 89 15.346 1.313 -1.837 735 HG3 GLU 89 2HG GLU 89 16.376 2.185 -0.705 736 H HIS 90 H HIS 90 13.760 -0.582 -1.181 737 HA HIS 90 HA HIS 90 12.186 1.159 -2.823 738 HB2 HIS 90 1HB HIS 90 12.390 -1.859 -2.700 739 HB3 HIS 90 2HB HIS 90 11.510 -0.987 -3.952 740 HD1 HIS 90 HD1 HIS 90 12.877 0.194 -5.770 741 HD2 HIS 90 HD2 HIS 90 15.251 -1.515 -2.799 742 HE1 HIS 90 HE1 HIS 90 15.263 0.289 -6.615 743 H TRP 91 H TRP 91 11.345 -1.101 -0.237 744 HA TRP 91 HA TRP 91 8.454 -0.725 -0.780 745 HB2 TRP 91 1HB TRP 91 9.913 -2.369 1.307 746 HB3 TRP 91 2HB TRP 91 8.175 -2.407 1.006 747 HD1 TRP 91 HD1 TRP 91 7.313 -3.649 -1.125 748 HE1 TRP 91 HE1 TRP 91 8.441 -5.209 -2.836 749 HE3 TRP 91 HE3 TRP 91 12.222 -2.849 0.045 750 HZ2 TRP 91 HZ2 TRP 91 11.071 -6.016 -3.608 751 HZ3 TRP 91 HZ3 TRP 91 14.016 -4.026 -1.196 752 HH2 TRP 91 HH2 TRP 91 13.447 -5.607 -3.019 753 H ILE 92 H ILE 92 7.204 0.687 0.336 754 HA ILE 92 HA ILE 92 8.179 1.741 2.965 755 HB ILE 92 HB ILE 92 6.918 3.445 0.797 756 HG12 ILE 92 1HG1 ILE 92 9.243 2.616 0.199 757 HG13 ILE 92 2HG1 ILE 92 9.081 4.362 0.301 758 HG21 ILE 92 1HG2 ILE 92 6.495 4.369 2.945 759 HG22 ILE 92 2HG2 ILE 92 7.867 5.272 2.307 760 HG23 ILE 92 3HG2 ILE 92 8.127 4.009 3.507 761 HD11 ILE 92 3HD1 ILE 92 10.115 4.385 2.507 762 HD12 ILE 92 1HD1 ILE 92 11.155 3.500 1.397 763 HD13 ILE 92 2HD1 ILE 92 10.161 2.625 2.548 764 H THR 93 H THR 93 6.547 2.148 4.457 765 HA THR 93 HA THR 93 3.912 0.976 3.754 766 HB THR 93 HB THR 93 3.612 1.485 6.343 767 HG1 THR 93 HG1 THR 93 5.721 1.389 7.324 768 HG21 THR 93 3HG2 THR 93 5.478 -0.622 5.216 769 HG22 THR 93 1HG2 THR 93 3.737 -0.768 5.441 770 HG23 THR 93 2HG2 THR 93 4.797 -0.664 6.844 771 H VAL 94 H VAL 94 2.100 2.151 3.529 772 HA VAL 94 HA VAL 94 2.251 5.118 3.971 773 HB VAL 94 HB VAL 94 0.758 3.451 1.928 774 HG11 VAL 94 1HG1 VAL 94 0.373 6.319 2.793 775 HG12 VAL 94 2HG1 VAL 94 -0.849 5.078 2.520 776 HG13 VAL 94 3HG1 VAL 94 -0.015 5.808 1.149 777 HG21 VAL 94 3HG2 VAL 94 2.750 5.724 1.672 778 HG22 VAL 94 1HG2 VAL 94 2.031 4.826 0.338 779 HG23 VAL 94 2HG2 VAL 94 3.127 4.016 1.456 780 H LEU 95 H LEU 95 0.761 5.985 5.322 781 HA LEU 95 HA LEU 95 -1.123 4.143 6.669 782 HB2 LEU 95 1HB LEU 95 0.330 5.723 7.962 783 HB3 LEU 95 2HB LEU 95 -0.525 7.068 7.209 784 HG LEU 95 HG LEU 95 -2.660 6.209 8.157 785 HD11 LEU 95 1HD1 LEU 95 -0.826 4.033 9.109 786 HD12 LEU 95 2HD1 LEU 95 -2.493 3.934 8.543 787 HD13 LEU 95 3HD1 LEU 95 -2.149 4.523 10.165 788 HD21 LEU 95 3HD2 LEU 95 -1.182 7.888 9.338 789 HD22 LEU 95 1HD2 LEU 95 -0.535 6.554 10.288 790 HD23 LEU 95 2HD2 LEU 95 -2.243 6.973 10.409 791 H LEU 96 H LEU 96 -3.206 4.028 6.054 792 HA LEU 96 HA LEU 96 -4.317 6.015 4.170 793 HB2 LEU 96 1HB LEU 96 -5.521 3.495 5.366 794 HB3 LEU 96 2HB LEU 96 -6.225 4.450 4.060 795 HG LEU 96 HG LEU 96 -3.521 3.076 3.958 796 HD11 LEU 96 1HD1 LEU 96 -6.250 2.340 2.892 797 HD12 LEU 96 2HD1 LEU 96 -5.149 1.360 3.860 798 HD13 LEU 96 3HD1 LEU 96 -4.772 1.702 2.172 799 HD21 LEU 96 3HD2 LEU 96 -5.023 4.886 2.072 800 HD22 LEU 96 1HD2 LEU 96 -3.995 3.617 1.403 801 HD23 LEU 96 2HD2 LEU 96 -3.302 4.848 2.450 802 H ASN 97 H ASN 97 -4.212 5.449 7.524 803 HA ASN 97 HA ASN 97 -6.748 6.904 8.054 804 HB2 ASN 97 1HB ASN 97 -4.733 5.501 9.822 805 HB3 ASN 97 2HB ASN 97 -6.047 6.482 10.473 806 HD21 ASN 97 2HD2 ASN 97 -7.242 5.229 7.632 807 HD22 ASN 97 1HD2 ASN 97 -7.982 3.826 8.234 808 H GLY 98 H GLY 98 -3.655 7.657 7.251 809 HA2 GLY 98 1HA GLY 98 -3.271 9.868 9.166 810 HA3 GLY 98 2HA GLY 98 -2.165 9.405 7.876 811 HA PRO 99 HA PRO 99 -4.393 13.286 6.562 812 HB2 PRO 99 1HB PRO 99 -1.641 14.046 5.709 813 HB3 PRO 99 2HB PRO 99 -2.783 14.944 6.727 814 HG2 PRO 99 1HG PRO 99 -0.603 13.815 7.758 815 HG3 PRO 99 2HG PRO 99 -2.112 13.847 8.655 816 HD2 PRO 99 1HD PRO 99 -0.923 11.582 7.081 817 HD3 PRO 99 2HD PRO 99 -1.673 11.551 8.696 818 H LEU 100 H LEU 100 -3.194 10.622 5.166 819 HA LEU 100 HA LEU 100 -2.609 11.491 2.483 820 HB2 LEU 100 1HB LEU 100 -3.301 8.842 3.746 821 HB3 LEU 100 2HB LEU 100 -3.122 8.983 1.999 822 HG LEU 100 HG LEU 100 -1.017 8.292 3.198 823 HD11 LEU 100 1HD1 LEU 100 -0.401 10.987 2.039 824 HD12 LEU 100 2HD1 LEU 100 -1.216 9.822 0.995 825 HD13 LEU 100 3HD1 LEU 100 0.339 9.422 1.716 826 HD21 LEU 100 3HD2 LEU 100 -1.551 9.819 5.184 827 HD22 LEU 100 1HD2 LEU 100 -0.914 11.137 4.198 828 HD23 LEU 100 2HD2 LEU 100 0.124 9.780 4.638 829 H GLY 101 H GLY 101 -3.988 12.159 0.967 830 HA2 GLY 101 1HA GLY 101 -6.911 11.802 1.400 831 HA3 GLY 101 2HA GLY 101 -6.161 12.974 0.319 832 H ALA 102 H ALA 102 -8.247 11.274 -0.491 833 HA ALA 102 HA ALA 102 -7.450 8.895 -1.827 834 HB1 ALA 102 3HB ALA 102 -9.558 10.885 -2.719 835 HB2 ALA 102 1HB ALA 102 -9.810 9.682 -1.455 836 HB3 ALA 102 2HB ALA 102 -9.497 9.167 -3.112 837 H LYS 103 H LYS 103 -7.607 12.269 -2.989 838 HA LYS 103 HA LYS 103 -6.664 11.708 -5.637 839 HB2 LYS 103 1HB LYS 103 -6.512 14.216 -3.947 840 HB3 LYS 103 2HB LYS 103 -6.084 14.160 -5.655 841 HG2 LYS 103 1HG LYS 103 -8.378 13.308 -6.161 842 HG3 LYS 103 2HG LYS 103 -8.796 13.513 -4.460 843 HD2 LYS 103 1HD LYS 103 -7.758 15.767 -6.202 844 HD3 LYS 103 2HD LYS 103 -9.474 15.442 -5.965 845 HE2 LYS 103 1HE LYS 103 -8.972 15.597 -3.437 846 HE3 LYS 103 2HE LYS 103 -7.437 16.322 -3.913 847 HZ1 LYS 103 3HZ LYS 103 -9.116 18.006 -3.524 848 HZ2 LYS 103 1HZ LYS 103 -10.126 17.306 -4.692 849 HZ3 LYS 103 2HZ LYS 103 -8.644 17.997 -5.156 850 H GLU 104 H GLU 104 -4.999 12.617 -2.634 851 HA GLU 104 HA GLU 104 -2.379 12.842 -3.762 852 HB2 GLU 104 1HB GLU 104 -3.253 12.097 -0.951 853 HB3 GLU 104 2HB GLU 104 -1.615 12.565 -1.409 854 HG2 GLU 104 1HG GLU 104 -4.068 14.306 -1.793 855 HG3 GLU 104 2HG GLU 104 -2.927 14.467 -0.459 856 H ILE 105 H ILE 105 -4.066 10.114 -2.195 857 HA ILE 105 HA ILE 105 -1.889 8.266 -2.405 858 HB ILE 105 HB ILE 105 -4.887 7.827 -2.263 859 HG12 ILE 105 1HG1 ILE 105 -2.750 7.422 -0.150 860 HG13 ILE 105 2HG1 ILE 105 -3.662 8.924 -0.317 861 HG21 ILE 105 1HG2 ILE 105 -2.572 5.884 -2.240 862 HG22 ILE 105 2HG2 ILE 105 -4.042 5.824 -3.213 863 HG23 ILE 105 3HG2 ILE 105 -4.116 5.492 -1.483 864 HD11 ILE 105 3HD1 ILE 105 -5.744 7.807 0.116 865 HD12 ILE 105 1HD1 ILE 105 -4.616 7.275 1.363 866 HD13 ILE 105 2HD1 ILE 105 -4.984 6.219 -0.000 867 H HIS 106 H HIS 106 -4.640 8.970 -4.554 868 HA HIS 106 HA HIS 106 -4.142 6.958 -6.492 869 HB2 HIS 106 1HB HIS 106 -5.303 9.744 -6.788 870 HB3 HIS 106 2HB HIS 106 -5.332 8.528 -8.065 871 HD1 HIS 106 HD1 HIS 106 -8.039 9.311 -7.256 872 HD2 HIS 106 HD2 HIS 106 -5.945 6.429 -5.089 873 HE1 HIS 106 HE1 HIS 106 -9.772 7.967 -5.991 874 H SER 107 H SER 107 -2.863 10.275 -6.227 875 HA SER 107 HA SER 107 -1.405 10.290 -8.673 876 HB2 SER 107 1HB SER 107 -0.798 11.689 -6.051 877 HB3 SER 107 2HB SER 107 -0.065 12.087 -7.603 878 HG SER 107 HG SER 107 -2.463 12.802 -6.595 879 H LEU 108 H LEU 108 -0.430 9.297 -5.388 880 HA LEU 108 HA LEU 108 2.283 8.668 -6.048 881 HB2 LEU 108 1HB LEU 108 0.434 7.607 -3.891 882 HB3 LEU 108 2HB LEU 108 2.154 7.229 -3.971 883 HG LEU 108 HG LEU 108 1.025 10.042 -3.844 884 HD11 LEU 108 1HD1 LEU 108 1.840 10.007 -1.488 885 HD12 LEU 108 2HD1 LEU 108 2.200 8.290 -1.667 886 HD13 LEU 108 3HD1 LEU 108 0.534 8.858 -1.775 887 HD21 LEU 108 3HD2 LEU 108 3.142 10.388 -4.706 888 HD22 LEU 108 1HD2 LEU 108 3.788 8.886 -4.052 889 HD23 LEU 108 2HD2 LEU 108 3.583 10.288 -3.003 890 H ILE 109 H ILE 109 -0.686 6.719 -6.045 891 HA ILE 109 HA ILE 109 0.551 4.228 -6.713 892 HB ILE 109 HB ILE 109 -2.244 5.288 -7.233 893 HG12 ILE 109 1HG1 ILE 109 -1.249 3.270 -5.198 894 HG13 ILE 109 2HG1 ILE 109 -1.428 4.989 -4.847 895 HG21 ILE 109 1HG2 ILE 109 -1.005 2.570 -7.696 896 HG22 ILE 109 2HG2 ILE 109 -1.965 3.538 -8.814 897 HG23 ILE 109 3HG2 ILE 109 -2.738 2.764 -7.433 898 HD11 ILE 109 3HD1 ILE 109 -3.810 4.889 -5.372 899 HD12 ILE 109 1HD1 ILE 109 -3.428 3.666 -4.161 900 HD13 ILE 109 2HD1 ILE 109 -3.661 3.198 -5.846 901 H GLU 110 H GLU 110 -0.810 6.837 -8.722 902 HA GLU 110 HA GLU 110 -0.543 5.607 -11.250 903 HB2 GLU 110 1HB GLU 110 -1.641 7.811 -10.838 904 HB3 GLU 110 2HB GLU 110 -0.050 8.525 -10.573 905 HG2 GLU 110 1HG GLU 110 0.627 7.924 -12.852 906 HG3 GLU 110 2HG GLU 110 -0.930 7.142 -13.125 907 H ASP 111 H ASP 111 1.849 7.415 -9.327 908 HA ASP 111 HA ASP 111 3.959 7.317 -11.256 909 HB2 ASP 111 1HB ASP 111 4.000 8.794 -9.274 910 HB3 ASP 111 2HB ASP 111 4.135 7.379 -8.229 911 H SER 112 H SER 112 2.988 5.112 -8.655 912 HA SER 112 HA SER 112 5.172 3.285 -8.914 913 HB2 SER 112 1HB SER 112 2.394 2.389 -8.152 914 HB3 SER 112 2HB SER 112 3.945 1.872 -7.495 915 HG SER 112 HG SER 112 2.353 3.713 -6.551 916 H PHE 113 H PHE 113 2.062 3.556 -10.569 917 HA PHE 113 HA PHE 113 2.087 1.069 -11.936 918 HB2 PHE 113 1HB PHE 113 0.121 2.542 -11.866 919 HB3 PHE 113 2HB PHE 113 0.972 3.738 -12.846 920 HD1 PHE 113 HD1 PHE 113 -0.063 0.142 -12.851 921 HD2 PHE 113 HD2 PHE 113 0.855 3.622 -15.196 922 HE1 PHE 113 HE1 PHE 113 -0.754 -1.060 -14.906 923 HE2 PHE 113 HE2 PHE 113 0.163 2.420 -17.252 924 HZ PHE 113 HZ PHE 113 -0.641 0.078 -17.106 925 H GLN 114 H GLN 114 3.345 4.252 -12.979 926 HA GLN 114 HA GLN 114 4.401 3.136 -15.450 927 HB2 GLN 114 1HB GLN 114 5.567 5.397 -15.600 928 HB3 GLN 114 2HB GLN 114 3.806 5.445 -15.523 929 HG2 GLN 114 1HG GLN 114 3.873 5.960 -13.152 930 HG3 GLN 114 2HG GLN 114 5.626 5.768 -13.123 931 HE21 GLN 114 2HE2 GLN 114 3.677 8.219 -12.767 932 HE22 GLN 114 1HE2 GLN 114 4.390 9.405 -13.749 933 H LEU 115 H LEU 115 5.540 3.412 -12.199 934 HA LEU 115 HA LEU 115 8.341 3.485 -12.630 935 HB2 LEU 115 1HB LEU 115 6.932 3.643 -10.425 936 HB3 LEU 115 2HB LEU 115 7.067 1.893 -10.401 937 HG LEU 115 HG LEU 115 9.636 2.392 -10.810 938 HD11 LEU 115 1HD1 LEU 115 10.439 4.455 -9.951 939 HD12 LEU 115 2HD1 LEU 115 8.878 4.865 -9.245 940 HD13 LEU 115 3HD1 LEU 115 9.095 4.909 -10.993 941 HD21 LEU 115 3HD2 LEU 115 8.692 1.270 -8.817 942 HD22 LEU 115 1HD2 LEU 115 8.310 2.845 -8.118 943 HD23 LEU 115 2HD2 LEU 115 9.992 2.377 -8.369 944 H THR 116 H THR 116 6.083 0.756 -12.432 945 HA THR 116 HA THR 116 8.291 -1.108 -13.145 946 HB THR 116 HB THR 116 6.962 -2.843 -12.274 947 HG1 THR 116 HG1 THR 116 4.677 -1.283 -11.995 948 HG21 THR 116 3HG2 THR 116 6.554 -2.184 -10.065 949 HG22 THR 116 1HG2 THR 116 5.933 -0.605 -10.544 950 HG23 THR 116 2HG2 THR 116 7.664 -0.931 -10.617 951 H ARG 117 H ARG 117 6.621 0.850 -14.898 952 HA ARG 117 HA ARG 117 4.854 -0.244 -16.662 953 HB2 ARG 117 1HB ARG 117 5.840 2.025 -16.894 954 HB3 ARG 117 2HB ARG 117 7.319 1.304 -17.521 955 HG2 ARG 117 1HG ARG 117 6.080 0.351 -19.415 956 HG3 ARG 117 2HG ARG 117 4.571 1.003 -18.776 957 HD2 ARG 117 1HD ARG 117 5.561 3.306 -18.945 958 HD3 ARG 117 2HD ARG 117 6.970 2.595 -19.735 959 HE ARG 117 HE ARG 117 4.679 1.720 -21.155 960 HH11 ARG 117 1HH2 ARG 117 6.385 4.622 -20.379 961 HH12 ARG 117 2HH2 ARG 117 5.923 5.436 -21.837 962 HH21 ARG 117 1HH1 ARG 117 4.074 2.770 -23.059 963 HH22 ARG 117 2HH1 ARG 117 4.615 4.389 -23.352 964 H LEU 118 H LEU 118 4.803 -1.749 -18.270 965 HA LEU 118 HA LEU 118 6.860 -3.791 -18.322 966 HB2 LEU 118 1HB LEU 118 4.501 -3.406 -20.187 967 HB3 LEU 118 2HB LEU 118 5.407 -4.897 -19.934 968 HG LEU 118 HG LEU 118 3.805 -3.435 -17.814 969 HD11 LEU 118 1HD1 LEU 118 2.419 -4.553 -19.547 970 HD12 LEU 118 2HD1 LEU 118 2.268 -5.335 -17.973 971 HD13 LEU 118 3HD1 LEU 118 3.269 -6.066 -19.226 972 HD21 LEU 118 3HD2 LEU 118 5.565 -5.888 -17.780 973 HD22 LEU 118 1HD2 LEU 118 4.219 -5.742 -16.649 974 HD23 LEU 118 2HD2 LEU 118 5.510 -4.547 -16.637 975 H GLU 119 H GLU 119 8.187 -4.377 -20.077 976 HA GLU 119 HA GLU 119 9.683 -3.939 -21.813 977 HB2 GLU 119 1HB GLU 119 7.234 -2.493 -22.869 978 HB3 GLU 119 2HB GLU 119 8.689 -2.796 -23.816 979 HG2 GLU 119 1HG GLU 119 8.433 -5.202 -23.522 980 HG3 GLU 119 2HG GLU 119 7.041 -4.953 -22.470 981 H HIS 120 H HIS 120 9.514 -2.082 -19.510 982 HA HIS 120 HA HIS 120 9.923 0.613 -20.426 983 HB2 HIS 120 1HB HIS 120 9.365 0.029 -18.072 984 HB3 HIS 120 2HB HIS 120 10.954 -0.715 -17.901 985 HD1 HIS 120 HD1 HIS 120 9.509 2.681 -18.902 986 HD2 HIS 120 HD2 HIS 120 12.873 1.070 -17.038 987 HE1 HIS 120 HE1 HIS 120 10.909 4.644 -18.128 988 H HIS 121 H HIS 121 12.127 -2.092 -19.770 989 HA HIS 121 HA HIS 121 14.538 -0.577 -20.182 990 HB2 HIS 121 1HB HIS 121 15.604 -2.834 -20.442 991 HB3 HIS 121 2HB HIS 121 14.630 -2.678 -18.981 992 HD1 HIS 121 HD1 HIS 121 12.313 -3.910 -18.950 993 HD2 HIS 121 HD2 HIS 121 14.621 -4.693 -22.331 994 HE1 HIS 121 HE1 HIS 121 11.271 -5.925 -20.077 995 H HIS 122 H HIS 122 15.210 0.275 -22.057 996 HA HIS 122 HA HIS 122 14.056 -0.606 -24.613 997 HB2 HIS 122 1HB HIS 122 14.348 1.777 -24.266 998 HB3 HIS 122 2HB HIS 122 16.058 1.557 -23.897 999 HD1 HIS 122 HD1 HIS 122 13.634 1.033 -26.787 1000 HD2 HIS 122 HD2 HIS 122 17.705 1.646 -26.131 1001 HE1 HIS 122 HE1 HIS 122 14.696 1.289 -29.071 1002 H HIS 123 H HIS 123 15.106 -1.831 -26.143 1003 HA HIS 123 HA HIS 123 18.026 -2.318 -25.866 1004 HB2 HIS 123 1HB HIS 123 16.722 -4.105 -24.590 1005 HB3 HIS 123 2HB HIS 123 16.078 -4.616 -26.151 1006 HD1 HIS 123 HD1 HIS 123 17.688 -5.784 -27.793 1007 HD2 HIS 123 HD2 HIS 123 19.523 -4.600 -24.242 1008 HE1 HIS 123 HE1 HIS 123 19.969 -6.886 -27.762 1009 H HIS 124 H HIS 124 19.006 -2.753 -27.839 1010 HA HIS 124 HA HIS 124 17.730 -1.878 -30.222 1011 HB2 HIS 124 1HB HIS 124 20.202 -3.554 -29.739 1012 HB3 HIS 124 2HB HIS 124 19.720 -3.006 -31.345 1013 HD1 HIS 124 HD1 HIS 124 20.850 -1.690 -27.987 1014 HD2 HIS 124 HD2 HIS 124 20.193 -0.275 -31.853 1015 HE1 HIS 124 HE1 HIS 124 21.778 0.665 -28.055 1016 H HIS 125 H HIS 125 18.287 -5.151 -28.944 1017 HA HIS 125 HA HIS 125 16.374 -6.214 -31.008 1018 HB2 HIS 125 1HB HIS 125 18.724 -6.963 -31.386 1019 HB3 HIS 125 2HB HIS 125 18.739 -7.651 -29.762 1020 HD1 HIS 125 HD1 HIS 125 16.700 -7.931 -32.971 1021 HD2 HIS 125 HD2 HIS 125 17.747 -10.232 -29.658 1022 HE1 HIS 125 HE1 HIS 125 15.751 -10.243 -33.377 Start of MODEL 7 1 H1 MET 1 1H MET 1 -6.895 6.022 2.236 2 H2 MET 1 2H MET 1 -7.370 7.618 2.566 3 H3 MET 1 3H MET 1 -7.011 7.148 0.974 4 HA MET 1 HA MET 1 -9.483 7.305 1.900 5 HB2 MET 1 1HB MET 1 -10.076 5.680 0.089 6 HB3 MET 1 2HB MET 1 -8.925 6.910 -0.428 7 HG2 MET 1 1HG MET 1 -7.073 5.365 -0.189 8 HG3 MET 1 2HG MET 1 -8.123 4.148 0.533 9 HE1 MET 1 3HE MET 1 -7.373 6.411 -2.254 10 HE2 MET 1 1HE MET 1 -9.063 6.454 -2.772 11 HE3 MET 1 2HE MET 1 -7.860 5.618 -3.748 12 H ASN 2 H ASN 2 -10.862 4.898 1.547 13 HA ASN 2 HA ASN 2 -10.320 3.587 4.161 14 HB2 ASN 2 1HB ASN 2 -12.687 3.575 2.280 15 HB3 ASN 2 2HB ASN 2 -12.585 2.525 3.694 16 HD21 ASN 2 2HD2 ASN 2 -14.618 4.501 3.558 17 HD22 ASN 2 1HD2 ASN 2 -14.293 5.705 4.709 18 H ARG 3 H ARG 3 -10.614 1.186 4.245 19 HA ARG 3 HA ARG 3 -8.819 -0.169 2.500 20 HB2 ARG 3 1HB ARG 3 -9.435 -0.930 4.794 21 HB3 ARG 3 2HB ARG 3 -11.043 -1.343 4.202 22 HG2 ARG 3 1HG ARG 3 -10.054 -2.948 2.614 23 HG3 ARG 3 2HG ARG 3 -8.440 -2.530 3.191 24 HD2 ARG 3 1HD ARG 3 -9.148 -3.250 5.495 25 HD3 ARG 3 2HD ARG 3 -10.666 -3.820 4.798 26 HE ARG 3 HE ARG 3 -8.348 -4.921 3.434 27 HH11 ARG 3 1HH2 ARG 3 -10.448 -5.152 6.164 28 HH12 ARG 3 2HH2 ARG 3 -10.173 -6.846 6.394 29 HH21 ARG 3 1HH1 ARG 3 -7.982 -7.127 3.720 30 HH22 ARG 3 2HH1 ARG 3 -8.778 -7.965 5.011 31 H GLN 4 H GLN 4 -12.385 -0.055 2.545 32 HA GLN 4 HA GLN 4 -12.790 -1.875 0.386 33 HB2 GLN 4 1HB GLN 4 -14.495 -0.855 2.068 34 HB3 GLN 4 2HB GLN 4 -14.602 0.482 0.926 35 HG2 GLN 4 1HG GLN 4 -15.037 -2.428 0.186 36 HG3 GLN 4 2HG GLN 4 -16.335 -1.290 0.546 37 HE21 GLN 4 2HE2 GLN 4 -15.290 -2.692 -2.070 38 HE22 GLN 4 1HE2 GLN 4 -15.239 -1.412 -3.183 39 H GLN 5 H GLN 5 -12.284 1.636 0.440 40 HA GLN 5 HA GLN 5 -12.783 2.102 -2.336 41 HB2 GLN 5 1HB GLN 5 -11.040 3.539 -0.318 42 HB3 GLN 5 2HB GLN 5 -11.324 4.144 -1.951 43 HG2 GLN 5 1HG GLN 5 -13.737 4.221 -1.535 44 HG3 GLN 5 2HG GLN 5 -13.501 3.533 0.073 45 HE21 GLN 5 2HE2 GLN 5 -12.245 6.317 -1.868 46 HE22 GLN 5 1HE2 GLN 5 -12.236 7.403 -0.564 47 H PHE 6 H PHE 6 -9.878 1.129 -0.570 48 HA PHE 6 HA PHE 6 -8.003 1.402 -2.690 49 HB2 PHE 6 1HB PHE 6 -7.497 0.937 -0.256 50 HB3 PHE 6 2HB PHE 6 -7.982 -0.733 -0.540 51 HD1 PHE 6 HD2 PHE 6 -5.651 1.924 -1.737 52 HD2 PHE 6 HD1 PHE 6 -6.449 -2.285 -1.465 53 HE1 PHE 6 HE2 PHE 6 -3.389 1.438 -2.624 54 HE2 PHE 6 HE1 PHE 6 -4.187 -2.775 -2.352 55 HZ PHE 6 HZ PHE 6 -2.655 -0.912 -2.930 56 H ILE 7 H ILE 7 -10.066 -1.359 -1.746 57 HA ILE 7 HA ILE 7 -9.096 -3.176 -3.733 58 HB ILE 7 HB ILE 7 -11.900 -3.018 -2.592 59 HG12 ILE 7 1HG1 ILE 7 -10.289 -2.990 -0.768 60 HG13 ILE 7 2HG1 ILE 7 -11.031 -4.583 -0.852 61 HG21 ILE 7 1HG2 ILE 7 -11.783 -5.515 -2.921 62 HG22 ILE 7 2HG2 ILE 7 -10.277 -5.266 -3.805 63 HG23 ILE 7 3HG2 ILE 7 -11.783 -4.585 -4.418 64 HD11 ILE 7 3HD1 ILE 7 -8.248 -3.747 -1.622 65 HD12 ILE 7 1HD1 ILE 7 -8.968 -5.170 -2.369 66 HD13 ILE 7 2HD1 ILE 7 -8.761 -5.102 -0.621 67 H ASP 8 H ASP 8 -11.826 -0.870 -3.791 68 HA ASP 8 HA ASP 8 -12.743 -1.525 -6.415 69 HB2 ASP 8 1HB ASP 8 -12.869 1.025 -4.787 70 HB3 ASP 8 2HB ASP 8 -13.657 0.858 -6.356 71 H TYR 9 H TYR 9 -10.378 0.898 -5.296 72 HA TYR 9 HA TYR 9 -9.817 2.040 -7.848 73 HB2 TYR 9 1HB TYR 9 -9.090 3.098 -5.770 74 HB3 TYR 9 2HB TYR 9 -8.048 1.724 -5.404 75 HD1 TYR 9 HD1 TYR 9 -8.572 4.592 -7.699 76 HD2 TYR 9 HD2 TYR 9 -5.920 1.443 -6.477 77 HE1 TYR 9 HE1 TYR 9 -6.740 5.625 -9.012 78 HE2 TYR 9 HE2 TYR 9 -4.088 2.474 -7.789 79 HH TYR 9 HH TYR 9 -3.444 4.339 -8.891 80 H ALA 10 H ALA 10 -8.212 -0.617 -6.089 81 HA ALA 10 HA ALA 10 -6.273 -1.173 -8.123 82 HB1 ALA 10 3HB ALA 10 -6.346 -1.970 -5.665 83 HB2 ALA 10 1HB ALA 10 -5.770 -3.117 -6.874 84 HB3 ALA 10 2HB ALA 10 -7.417 -3.247 -6.248 85 H GLN 11 H GLN 11 -9.549 -2.374 -7.534 86 HA GLN 11 HA GLN 11 -9.518 -4.459 -9.486 87 HB2 GLN 11 1HB GLN 11 -11.241 -4.014 -7.637 88 HB3 GLN 11 2HB GLN 11 -11.940 -2.816 -8.725 89 HG2 GLN 11 1HG GLN 11 -13.154 -4.797 -9.169 90 HG3 GLN 11 2HG GLN 11 -11.983 -4.695 -10.483 91 HE21 GLN 11 2HE2 GLN 11 -11.874 -5.922 -7.085 92 HE22 GLN 11 1HE2 GLN 11 -11.157 -7.405 -7.490 93 H LYS 12 H LYS 12 -10.662 -1.079 -9.703 94 HA LYS 12 HA LYS 12 -11.388 -1.244 -12.471 95 HB2 LYS 12 1HB LYS 12 -12.020 0.565 -10.737 96 HB3 LYS 12 2HB LYS 12 -10.452 1.283 -11.099 97 HG2 LYS 12 1HG LYS 12 -11.044 1.477 -13.460 98 HG3 LYS 12 2HG LYS 12 -12.575 0.651 -13.170 99 HD2 LYS 12 1HD LYS 12 -13.263 2.471 -11.642 100 HD3 LYS 12 2HD LYS 12 -11.742 3.306 -11.966 101 HE2 LYS 12 1HE LYS 12 -12.315 3.455 -14.352 102 HE3 LYS 12 2HE LYS 12 -13.823 2.593 -14.053 103 HZ1 LYS 12 3HZ LYS 12 -13.429 5.304 -13.911 104 HZ2 LYS 12 1HZ LYS 12 -13.522 4.807 -12.293 105 HZ3 LYS 12 2HZ LYS 12 -14.790 4.447 -13.363 106 H LYS 13 H LYS 13 -8.367 -0.463 -10.819 107 HA LYS 13 HA LYS 13 -7.037 0.360 -13.285 108 HB2 LYS 13 1HB LYS 13 -6.470 1.301 -11.053 109 HB3 LYS 13 2HB LYS 13 -5.845 -0.278 -10.577 110 HG2 LYS 13 1HG LYS 13 -4.193 -0.205 -12.377 111 HG3 LYS 13 2HG LYS 13 -4.851 1.330 -12.946 112 HD2 LYS 13 1HD LYS 13 -4.274 2.379 -10.788 113 HD3 LYS 13 2HD LYS 13 -3.608 0.848 -10.222 114 HE2 LYS 13 1HE LYS 13 -1.723 2.053 -10.998 115 HE3 LYS 13 2HE LYS 13 -2.098 0.940 -12.315 116 HZ1 LYS 13 3HZ LYS 13 -2.118 2.770 -13.567 117 HZ2 LYS 13 1HZ LYS 13 -2.249 3.814 -12.237 118 HZ3 LYS 13 2HZ LYS 13 -3.641 3.081 -12.881 119 H TYR 14 H TYR 14 -7.097 -2.605 -11.303 120 HA TYR 14 HA TYR 14 -5.424 -3.940 -13.423 121 HB2 TYR 14 1HB TYR 14 -5.496 -4.499 -10.446 122 HB3 TYR 14 2HB TYR 14 -4.570 -5.415 -11.633 123 HD1 TYR 14 HD1 TYR 14 -2.969 -4.007 -13.178 124 HD2 TYR 14 HD2 TYR 14 -4.482 -2.658 -9.389 125 HE1 TYR 14 HE1 TYR 14 -1.115 -2.370 -13.018 126 HE2 TYR 14 HE2 TYR 14 -2.626 -1.022 -9.230 127 HH TYR 14 HH TYR 14 -0.240 -0.848 -10.213 128 H ASP 15 H ASP 15 -8.341 -4.065 -11.518 129 HA ASP 15 HA ASP 15 -10.112 -5.615 -11.533 130 HB2 ASP 15 1HB ASP 15 -9.896 -5.106 -14.019 131 HB3 ASP 15 2HB ASP 15 -8.919 -6.566 -14.152 132 H THR 16 H THR 16 -7.663 -6.338 -10.189 133 HA THR 16 HA THR 16 -7.538 -9.302 -10.648 134 HB THR 16 HB THR 16 -5.373 -8.106 -10.786 135 HG1 THR 16 HG1 THR 16 -5.166 -9.378 -8.343 136 HG21 THR 16 3HG2 THR 16 -5.692 -7.453 -7.861 137 HG22 THR 16 1HG2 THR 16 -6.170 -6.307 -9.113 138 HG23 THR 16 2HG2 THR 16 -4.493 -6.837 -8.996 139 H LYS 17 H LYS 17 -7.823 -10.690 -8.855 140 HA LYS 17 HA LYS 17 -9.446 -9.526 -6.672 141 HB2 LYS 17 1HB LYS 17 -8.924 -12.299 -7.732 142 HB3 LYS 17 2HB LYS 17 -9.590 -12.108 -6.111 143 HG2 LYS 17 1HG LYS 17 -11.352 -12.368 -7.866 144 HG3 LYS 17 2HG LYS 17 -11.476 -10.842 -6.991 145 HD2 LYS 17 1HD LYS 17 -10.453 -9.626 -8.792 146 HD3 LYS 17 2HD LYS 17 -9.998 -11.118 -9.617 147 HE2 LYS 17 1HE LYS 17 -12.339 -11.667 -10.005 148 HE3 LYS 17 2HE LYS 17 -12.854 -10.259 -9.075 149 HZ1 LYS 17 3HZ LYS 17 -11.580 -8.887 -10.703 150 HZ2 LYS 17 1HZ LYS 17 -12.941 -9.669 -11.349 151 HZ3 LYS 17 2HZ LYS 17 -11.387 -10.284 -11.651 152 HA PRO 18 HA PRO 18 -6.140 -9.647 -3.713 153 HB2 PRO 18 1HB PRO 18 -7.506 -10.296 -1.400 154 HB3 PRO 18 2HB PRO 18 -7.551 -8.688 -2.148 155 HG2 PRO 18 1HG PRO 18 -9.539 -10.910 -2.325 156 HG3 PRO 18 2HG PRO 18 -9.811 -9.166 -2.154 157 HD2 PRO 18 1HD PRO 18 -10.073 -10.443 -4.546 158 HD3 PRO 18 2HD PRO 18 -9.515 -8.759 -4.427 159 H ASP 19 H ASP 19 -4.827 -11.123 -2.478 160 HA ASP 19 HA ASP 19 -5.664 -13.990 -2.478 161 HB2 ASP 19 1HB ASP 19 -4.276 -13.464 -4.532 162 HB3 ASP 19 2HB ASP 19 -2.949 -13.052 -3.443 163 H HIS 20 H HIS 20 -4.858 -15.125 -0.727 164 HA HIS 20 HA HIS 20 -3.007 -13.659 1.132 165 HB2 HIS 20 1HB HIS 20 -4.298 -14.736 2.996 166 HB3 HIS 20 2HB HIS 20 -5.218 -13.536 2.091 167 HD1 HIS 20 HD1 HIS 20 -6.886 -14.543 0.214 168 HD2 HIS 20 HD2 HIS 20 -5.439 -17.272 3.015 169 HE1 HIS 20 HE1 HIS 20 -8.413 -16.562 0.104 170 HA PRO 21 HA PRO 21 -1.135 -17.743 -0.083 171 HB2 PRO 21 1HB PRO 21 1.258 -16.254 0.944 172 HB3 PRO 21 2HB PRO 21 1.075 -17.199 -0.548 173 HG2 PRO 21 1HG PRO 21 1.134 -14.527 -0.586 174 HG3 PRO 21 2HG PRO 21 0.102 -15.449 -1.695 175 HD2 PRO 21 1HD PRO 21 -0.671 -13.915 0.762 176 HD3 PRO 21 2HD PRO 21 -1.573 -14.146 -0.752 177 H TRP 22 H TRP 22 -0.661 -15.718 2.769 178 HA TRP 22 HA TRP 22 0.161 -17.963 4.453 179 HB2 TRP 22 1HB TRP 22 -0.533 -15.074 5.040 180 HB3 TRP 22 2HB TRP 22 -0.027 -16.221 6.280 181 HD1 TRP 22 HD1 TRP 22 2.337 -17.687 5.201 182 HE1 TRP 22 HE1 TRP 22 4.509 -16.531 4.443 183 HE3 TRP 22 HE3 TRP 22 0.580 -12.963 4.346 184 HZ2 TRP 22 HZ2 TRP 22 5.392 -13.951 3.592 185 HZ3 TRP 22 HZ3 TRP 22 2.112 -11.178 3.564 186 HH2 TRP 22 HH2 TRP 22 4.513 -11.666 3.186 187 H GLU 23 H GLU 23 -1.412 -19.450 4.836 188 HA GLU 23 HA GLU 23 -4.223 -18.876 4.940 189 HB2 GLU 23 1HB GLU 23 -4.426 -21.175 5.805 190 HB3 GLU 23 2HB GLU 23 -3.300 -21.120 4.449 191 HG2 GLU 23 1HG GLU 23 -1.403 -21.012 6.044 192 HG3 GLU 23 2HG GLU 23 -2.539 -21.137 7.387 193 H LYS 24 H LYS 24 -1.678 -18.603 7.269 194 HA LYS 24 HA LYS 24 -3.411 -18.713 9.613 195 HB2 LYS 24 1HB LYS 24 -0.565 -17.739 9.222 196 HB3 LYS 24 2HB LYS 24 -1.376 -17.831 10.786 197 HG2 LYS 24 1HG LYS 24 -1.668 -20.239 10.544 198 HG3 LYS 24 2HG LYS 24 -1.003 -20.185 8.913 199 HD2 LYS 24 1HD LYS 24 0.803 -20.904 10.287 200 HD3 LYS 24 2HD LYS 24 1.117 -19.201 9.963 201 HE2 LYS 24 1HE LYS 24 0.363 -18.548 12.137 202 HE3 LYS 24 2HE LYS 24 -0.346 -20.134 12.445 203 HZ1 LYS 24 3HZ LYS 24 1.576 -20.747 13.318 204 HZ2 LYS 24 1HZ LYS 24 2.285 -19.257 12.928 205 HZ3 LYS 24 2HZ LYS 24 2.329 -20.535 11.810 206 H PHE 25 H PHE 25 -3.038 -16.467 7.181 207 HA PHE 25 HA PHE 25 -4.095 -14.280 8.931 208 HB2 PHE 25 1HB PHE 25 -1.807 -14.121 6.963 209 HB3 PHE 25 2HB PHE 25 -2.718 -12.695 7.460 210 HD1 PHE 25 HD2 PHE 25 -2.826 -12.073 9.900 211 HD2 PHE 25 HD1 PHE 25 -0.197 -15.129 8.416 212 HE1 PHE 25 HE2 PHE 25 -1.503 -11.953 11.995 213 HE2 PHE 25 HE1 PHE 25 1.124 -15.010 10.512 214 HZ PHE 25 HZ PHE 25 0.472 -13.423 12.301 215 HA PRO 26 HA PRO 26 -6.498 -15.091 4.962 216 HB2 PRO 26 1HB PRO 26 -8.964 -15.375 6.178 217 HB3 PRO 26 2HB PRO 26 -7.858 -16.727 5.867 218 HG2 PRO 26 1HG PRO 26 -8.327 -15.214 8.395 219 HG3 PRO 26 2HG PRO 26 -8.068 -16.950 8.152 220 HD2 PRO 26 1HD PRO 26 -6.102 -15.287 9.038 221 HD3 PRO 26 2HD PRO 26 -5.755 -16.730 8.063 222 H ASP 27 H ASP 27 -6.731 -12.937 7.664 223 HA ASP 27 HA ASP 27 -8.677 -11.141 6.412 224 HB2 ASP 27 1HB ASP 27 -6.874 -10.890 8.832 225 HB3 ASP 27 2HB ASP 27 -7.987 -9.621 8.319 226 H TYR 28 H TYR 28 -5.431 -11.799 5.894 227 HA TYR 28 HA TYR 28 -4.669 -9.011 5.242 228 HB2 TYR 28 1HB TYR 28 -3.229 -11.653 5.374 229 HB3 TYR 28 2HB TYR 28 -2.526 -10.347 4.422 230 HD1 TYR 28 HD2 TYR 28 -4.485 -10.182 7.631 231 HD2 TYR 28 HD1 TYR 28 -0.706 -9.561 5.682 232 HE1 TYR 28 HE2 TYR 28 -3.609 -9.114 9.677 233 HE2 TYR 28 HE1 TYR 28 0.169 -8.488 7.739 234 HH TYR 28 HH TYR 28 -0.221 -8.195 9.968 235 H ALA 29 H ALA 29 -4.232 -8.307 3.119 236 HA ALA 29 HA ALA 29 -5.256 -10.093 0.921 237 HB1 ALA 29 3HB ALA 29 -5.936 -7.870 -0.160 238 HB2 ALA 29 1HB ALA 29 -5.671 -7.138 1.423 239 HB3 ALA 29 2HB ALA 29 -6.900 -8.388 1.222 240 H VAL 30 H VAL 30 -3.856 -10.357 -0.745 241 HA VAL 30 HA VAL 30 -1.617 -8.389 -1.091 242 HB VAL 30 HB VAL 30 -1.373 -11.407 -1.319 243 HG11 VAL 30 1HG1 VAL 30 0.133 -9.855 -2.720 244 HG12 VAL 30 2HG1 VAL 30 0.946 -11.030 -1.689 245 HG13 VAL 30 3HG1 VAL 30 0.832 -9.344 -1.185 246 HG21 VAL 30 3HG2 VAL 30 0.129 -11.028 0.747 247 HG22 VAL 30 1HG2 VAL 30 -1.616 -10.973 1.001 248 HG23 VAL 30 2HG2 VAL 30 -0.691 -9.475 0.905 249 H PHE 31 H PHE 31 -1.425 -7.740 -3.197 250 HA PHE 31 HA PHE 31 -3.038 -9.246 -5.254 251 HB2 PHE 31 1HB PHE 31 -2.145 -6.353 -5.369 252 HB3 PHE 31 2HB PHE 31 -3.316 -7.160 -6.409 253 HD1 PHE 31 HD2 PHE 31 -5.538 -7.792 -5.565 254 HD2 PHE 31 HD1 PHE 31 -2.716 -5.699 -3.100 255 HE1 PHE 31 HE2 PHE 31 -7.344 -7.247 -3.961 256 HE2 PHE 31 HE1 PHE 31 -4.519 -5.160 -1.489 257 HZ PHE 31 HZ PHE 31 -6.830 -5.938 -1.916 258 H ARG 32 H ARG 32 -1.990 -9.975 -7.083 259 HA ARG 32 HA ARG 32 0.795 -9.031 -7.601 260 HB2 ARG 32 1HB ARG 32 1.399 -11.460 -8.073 261 HB3 ARG 32 2HB ARG 32 1.201 -11.042 -6.373 262 HG2 ARG 32 1HG ARG 32 -1.096 -11.940 -6.419 263 HG3 ARG 32 2HG ARG 32 -0.905 -12.345 -8.127 264 HD2 ARG 32 1HD ARG 32 -0.482 -14.341 -6.790 265 HD3 ARG 32 2HD ARG 32 1.032 -13.806 -7.521 266 HE ARG 32 HE ARG 32 0.751 -12.615 -4.926 267 HH11 ARG 32 1HH2 ARG 32 1.363 -15.606 -6.546 268 HH12 ARG 32 2HH2 ARG 32 2.298 -16.265 -5.245 269 HH21 ARG 32 1HH1 ARG 32 1.969 -13.467 -3.226 270 HH22 ARG 32 2HH1 ARG 32 2.640 -15.057 -3.370 271 H HIS 33 H HIS 33 1.130 -8.678 -9.751 272 HA HIS 33 HA HIS 33 -1.028 -9.512 -11.643 273 HB2 HIS 33 1HB HIS 33 1.203 -7.477 -11.954 274 HB3 HIS 33 2HB HIS 33 -0.080 -7.785 -13.126 275 HD1 HIS 33 HD1 HIS 33 0.623 -6.067 -9.905 276 HD2 HIS 33 HD2 HIS 33 -2.719 -6.972 -12.228 277 HE1 HIS 33 HE1 HIS 33 -1.283 -4.676 -8.988 278 H SER 34 H SER 34 -0.562 -11.450 -12.575 279 HA SER 34 HA SER 34 2.182 -12.374 -12.943 280 HB2 SER 34 1HB SER 34 1.094 -14.334 -13.996 281 HB3 SER 34 2HB SER 34 0.350 -13.944 -12.447 282 HG SER 34 HG SER 34 -1.388 -13.159 -13.464 283 H ASP 35 H ASP 35 0.065 -10.386 -14.708 284 HA ASP 35 HA ASP 35 1.190 -11.084 -17.351 285 HB2 ASP 35 1HB ASP 35 -0.833 -9.016 -16.452 286 HB3 ASP 35 2HB ASP 35 -0.316 -9.219 -18.126 287 H ASN 36 H ASN 36 2.224 -9.285 -14.768 288 HA ASN 36 HA ASN 36 3.718 -7.368 -16.524 289 HB2 ASN 36 1HB ASN 36 2.795 -7.020 -13.662 290 HB3 ASN 36 2HB ASN 36 3.839 -5.890 -14.523 291 HD21 ASN 36 2HD2 ASN 36 2.793 -5.367 -16.888 292 HD22 ASN 36 1HD2 ASN 36 1.150 -4.944 -16.826 293 H ASP 37 H ASP 37 4.257 -10.195 -15.420 294 HA ASP 37 HA ASP 37 6.104 -11.373 -14.600 295 HB2 ASP 37 1HB ASP 37 7.249 -10.075 -16.396 296 HB3 ASP 37 2HB ASP 37 7.587 -8.803 -15.221 297 H LYS 38 H LYS 38 7.103 -8.124 -13.559 298 HA LYS 38 HA LYS 38 7.509 -9.135 -10.833 299 HB2 LYS 38 1HB LYS 38 7.893 -6.411 -12.096 300 HB3 LYS 38 2HB LYS 38 8.290 -6.780 -10.415 301 HG2 LYS 38 1HG LYS 38 9.786 -8.615 -11.221 302 HG3 LYS 38 2HG LYS 38 9.470 -8.101 -12.877 303 HD2 LYS 38 1HD LYS 38 10.585 -6.254 -10.752 304 HD3 LYS 38 2HD LYS 38 11.603 -7.180 -11.851 305 HE2 LYS 38 1HE LYS 38 10.252 -6.092 -13.755 306 HE3 LYS 38 2HE LYS 38 9.650 -4.976 -12.530 307 HZ1 LYS 38 3HZ LYS 38 12.289 -5.184 -13.701 308 HZ2 LYS 38 1HZ LYS 38 12.265 -4.932 -12.025 309 HZ3 LYS 38 2HZ LYS 38 11.485 -3.832 -13.059 310 H TRP 39 H TRP 39 6.444 -8.253 -8.966 311 HA TRP 39 HA TRP 39 4.276 -6.357 -9.215 312 HB2 TRP 39 1HB TRP 39 2.402 -7.834 -8.790 313 HB3 TRP 39 2HB TRP 39 3.234 -8.411 -10.230 314 HD1 TRP 39 HD1 TRP 39 3.134 -9.149 -6.425 315 HE1 TRP 39 HE1 TRP 39 3.632 -11.655 -6.084 316 HE3 TRP 39 HE3 TRP 39 4.048 -10.527 -11.249 317 HZ2 TRP 39 HZ2 TRP 39 4.319 -13.946 -7.656 318 HZ3 TRP 39 HZ3 TRP 39 4.617 -12.875 -11.804 319 HH2 TRP 39 HH2 TRP 39 4.753 -14.585 -10.014 320 H TYR 40 H TYR 40 3.732 -5.575 -7.180 321 HA TYR 40 HA TYR 40 4.376 -7.184 -4.789 322 HB2 TYR 40 1HB TYR 40 6.508 -6.068 -5.216 323 HB3 TYR 40 2HB TYR 40 5.694 -4.510 -5.369 324 HD1 TYR 40 HD1 TYR 40 6.278 -7.331 -2.984 325 HD2 TYR 40 HD2 TYR 40 5.280 -3.180 -3.462 326 HE1 TYR 40 HE1 TYR 40 6.436 -7.009 -0.529 327 HE2 TYR 40 HE2 TYR 40 5.436 -2.859 -1.009 328 HH TYR 40 HH TYR 40 6.787 -4.168 0.932 329 H ALA 41 H ALA 41 2.639 -6.920 -3.502 330 HA ALA 41 HA ALA 41 1.508 -4.239 -3.059 331 HB1 ALA 41 3HB ALA 41 -0.341 -6.455 -3.956 332 HB2 ALA 41 1HB ALA 41 0.335 -5.295 -5.100 333 HB3 ALA 41 2HB ALA 41 -0.701 -4.735 -3.788 334 H LEU 42 H LEU 42 1.786 -4.365 -0.833 335 HA LEU 42 HA LEU 42 0.700 -6.814 0.538 336 HB2 LEU 42 1HB LEU 42 3.230 -6.054 0.729 337 HB3 LEU 42 2HB LEU 42 2.586 -4.862 1.852 338 HG LEU 42 HG LEU 42 3.261 -6.809 3.121 339 HD11 LEU 42 1HD1 LEU 42 0.257 -7.013 2.897 340 HD12 LEU 42 2HD1 LEU 42 1.051 -5.622 3.637 341 HD13 LEU 42 3HD1 LEU 42 1.263 -7.231 4.327 342 HD21 LEU 42 3HD2 LEU 42 2.878 -8.996 2.531 343 HD22 LEU 42 1HD2 LEU 42 2.758 -8.313 0.911 344 HD23 LEU 42 2HD2 LEU 42 1.297 -8.660 1.833 345 H LEU 43 H LEU 43 -1.241 -6.401 1.396 346 HA LEU 43 HA LEU 43 -1.775 -3.679 2.548 347 HB2 LEU 43 1HB LEU 43 -3.114 -4.252 0.500 348 HB3 LEU 43 2HB LEU 43 -3.787 -5.627 1.371 349 HG LEU 43 HG LEU 43 -3.974 -3.011 2.811 350 HD11 LEU 43 1HD1 LEU 43 -4.444 -2.315 0.480 351 HD12 LEU 43 2HD1 LEU 43 -5.879 -2.217 1.502 352 HD13 LEU 43 3HD1 LEU 43 -5.690 -3.559 0.373 353 HD21 LEU 43 3HD2 LEU 43 -6.202 -4.959 2.196 354 HD22 LEU 43 1HD2 LEU 43 -6.016 -3.897 3.593 355 HD23 LEU 43 2HD2 LEU 43 -5.001 -5.327 3.431 356 H MET 44 H MET 44 -2.120 -3.721 4.715 357 HA MET 44 HA MET 44 -3.487 -6.003 5.951 358 HB2 MET 44 1HB MET 44 -1.598 -6.371 7.591 359 HB3 MET 44 2HB MET 44 -1.275 -6.934 5.953 360 HG2 MET 44 1HG MET 44 -0.087 -4.776 5.499 361 HG3 MET 44 2HG MET 44 -0.318 -4.338 7.192 362 HE1 MET 44 3HE MET 44 2.101 -3.936 7.448 363 HE2 MET 44 1HE MET 44 2.600 -4.476 5.839 364 HE3 MET 44 2HE MET 44 3.406 -5.106 7.274 365 H ASP 45 H ASP 45 -4.210 -5.514 8.074 366 HA ASP 45 HA ASP 45 -4.175 -2.604 8.703 367 HB2 ASP 45 1HB ASP 45 -5.902 -4.879 9.714 368 HB3 ASP 45 2HB ASP 45 -6.043 -3.202 10.245 369 H ILE 46 H ILE 46 -2.668 -1.969 10.163 370 HA ILE 46 HA ILE 46 -1.947 -3.883 12.346 371 HB ILE 46 HB ILE 46 0.323 -2.817 12.327 372 HG12 ILE 46 1HG1 ILE 46 -0.556 -1.781 9.617 373 HG13 ILE 46 2HG1 ILE 46 -0.464 -0.770 11.061 374 HG21 ILE 46 1HG2 ILE 46 -0.182 -5.009 11.266 375 HG22 ILE 46 2HG2 ILE 46 1.097 -4.137 10.422 376 HG23 ILE 46 3HG2 ILE 46 -0.534 -4.174 9.755 377 HD11 ILE 46 3HD1 ILE 46 1.931 -1.397 11.315 378 HD12 ILE 46 1HD1 ILE 46 1.617 -0.565 9.792 379 HD13 ILE 46 2HD1 ILE 46 1.826 -2.316 9.813 380 HA PRO 47 HA PRO 47 -3.199 -0.837 15.325 381 HB2 PRO 47 1HB PRO 47 -0.566 -1.255 16.669 382 HB3 PRO 47 2HB PRO 47 -2.203 -1.372 17.340 383 HG2 PRO 47 1HG PRO 47 -0.671 -3.535 16.747 384 HG3 PRO 47 2HG PRO 47 -2.442 -3.552 16.709 385 HD2 PRO 47 1HD PRO 47 -0.536 -3.643 14.444 386 HD3 PRO 47 2HD PRO 47 -2.251 -4.108 14.508 387 H ALA 48 H ALA 48 -2.920 1.380 15.632 388 HA ALA 48 HA ALA 48 -1.193 2.827 13.872 389 HB1 ALA 48 3HB ALA 48 -2.881 3.595 16.250 390 HB2 ALA 48 1HB ALA 48 -3.165 3.936 14.545 391 HB3 ALA 48 2HB ALA 48 -1.891 4.791 15.413 392 H GLU 49 H GLU 49 -0.695 1.560 17.070 393 HA GLU 49 HA GLU 49 1.460 3.350 17.800 394 HB2 GLU 49 1HB GLU 49 1.987 1.513 19.494 395 HB3 GLU 49 2HB GLU 49 0.374 2.216 19.596 396 HG2 GLU 49 1HG GLU 49 -0.572 0.339 18.369 397 HG3 GLU 49 2HG GLU 49 1.036 -0.344 18.115 398 H LYS 50 H LYS 50 1.245 0.766 15.588 399 HA LYS 50 HA LYS 50 4.061 -0.035 15.805 400 HB2 LYS 50 1HB LYS 50 1.913 -0.709 13.775 401 HB3 LYS 50 2HB LYS 50 3.522 -1.430 13.798 402 HG2 LYS 50 1HG LYS 50 1.739 -1.527 16.232 403 HG3 LYS 50 2HG LYS 50 1.592 -2.727 14.952 404 HD2 LYS 50 1HD LYS 50 4.030 -3.237 15.214 405 HD3 LYS 50 2HD LYS 50 4.082 -2.137 16.587 406 HE2 LYS 50 1HE LYS 50 3.765 -4.328 17.497 407 HE3 LYS 50 2HE LYS 50 2.210 -3.503 17.620 408 HZ1 LYS 50 3HZ LYS 50 2.934 -5.222 15.320 409 HZ2 LYS 50 1HZ LYS 50 1.399 -4.638 15.741 410 HZ3 LYS 50 2HZ LYS 50 2.148 -5.822 16.702 411 H ILE 51 H ILE 51 2.407 2.526 14.294 412 HA ILE 51 HA ILE 51 4.559 2.819 12.228 413 HB ILE 51 HB ILE 51 2.969 4.629 11.336 414 HG12 ILE 51 1HG1 ILE 51 1.019 3.131 13.118 415 HG13 ILE 51 2HG1 ILE 51 1.612 4.759 13.446 416 HG21 ILE 51 1HG2 ILE 51 2.050 1.735 11.391 417 HG22 ILE 51 2HG2 ILE 51 3.270 2.400 10.305 418 HG23 ILE 51 3HG2 ILE 51 1.595 2.937 10.182 419 HD11 ILE 51 3HD1 ILE 51 0.258 4.044 10.833 420 HD12 ILE 51 1HD1 ILE 51 0.562 5.644 11.500 421 HD13 ILE 51 2HD1 ILE 51 -0.646 4.593 12.238 422 H GLY 52 H GLY 52 4.115 3.659 15.326 423 HA2 GLY 52 1HA GLY 52 5.650 5.145 16.453 424 HA3 GLY 52 2HA GLY 52 5.754 6.123 14.992 425 H ILE 53 H ILE 53 2.546 5.613 15.200 426 HA ILE 53 HA ILE 53 2.112 8.259 16.366 427 HB ILE 53 HB ILE 53 0.196 6.192 15.268 428 HG12 ILE 53 1HG1 ILE 53 1.084 8.904 14.231 429 HG13 ILE 53 2HG1 ILE 53 1.761 7.368 13.693 430 HG21 ILE 53 1HG2 ILE 53 -1.082 7.406 16.861 431 HG22 ILE 53 2HG2 ILE 53 -1.411 8.210 15.330 432 HG23 ILE 53 3HG2 ILE 53 -0.276 8.925 16.475 433 HD11 ILE 53 3HD1 ILE 53 0.105 7.853 12.080 434 HD12 ILE 53 1HD1 ILE 53 -1.033 8.430 13.296 435 HD13 ILE 53 2HD1 ILE 53 -0.687 6.708 13.163 436 H ASN 54 H ASN 54 1.138 8.748 18.300 437 HA ASN 54 HA ASN 54 1.465 6.972 20.505 438 HB2 ASN 54 1HB ASN 54 -0.168 9.502 20.158 439 HB3 ASN 54 2HB ASN 54 0.027 8.687 21.710 440 HD21 ASN 54 2HD2 ASN 54 1.016 11.349 21.260 441 HD22 ASN 54 1HD2 ASN 54 2.711 11.302 21.327 442 H GLY 55 H GLY 55 -1.397 7.819 18.576 443 HA2 GLY 55 1HA GLY 55 -3.353 6.528 20.157 444 HA3 GLY 55 2HA GLY 55 -3.491 6.784 18.421 445 H ASP 56 H ASP 56 -4.143 4.442 20.236 446 HA ASP 56 HA ASP 56 -2.438 2.318 19.002 447 HB2 ASP 56 1HB ASP 56 -3.559 0.831 20.686 448 HB3 ASP 56 2HB ASP 56 -2.669 2.160 21.431 449 H LYS 57 H LYS 57 -5.051 4.008 18.137 450 HA LYS 57 HA LYS 57 -7.074 2.060 17.622 451 HB2 LYS 57 1HB LYS 57 -7.990 3.700 16.044 452 HB3 LYS 57 2HB LYS 57 -7.479 4.496 17.530 453 HG2 LYS 57 1HG LYS 57 -5.334 5.115 16.431 454 HG3 LYS 57 2HG LYS 57 -5.917 4.385 14.933 455 HD2 LYS 57 1HD LYS 57 -7.891 5.930 15.016 456 HD3 LYS 57 2HD LYS 57 -7.155 6.726 16.407 457 HE2 LYS 57 1HE LYS 57 -5.800 6.438 13.712 458 HE3 LYS 57 2HE LYS 57 -6.679 7.878 14.226 459 HZ1 LYS 57 3HZ LYS 57 -4.939 8.541 15.397 460 HZ2 LYS 57 1HZ LYS 57 -4.041 7.255 14.750 461 HZ3 LYS 57 2HZ LYS 57 -4.854 7.062 16.230 462 H ARG 58 H ARG 58 -7.419 0.687 15.916 463 HA ARG 58 HA ARG 58 -5.149 -0.167 14.369 464 HB2 ARG 58 1HB ARG 58 -6.976 -1.685 15.076 465 HB3 ARG 58 2HB ARG 58 -8.076 -0.833 13.993 466 HG2 ARG 58 1HG ARG 58 -6.759 -1.480 12.058 467 HG3 ARG 58 2HG ARG 58 -5.528 -2.205 13.093 468 HD2 ARG 58 1HD ARG 58 -6.973 -3.973 12.241 469 HD3 ARG 58 2HD ARG 58 -7.264 -3.781 13.969 470 HE ARG 58 HE ARG 58 -9.091 -2.131 12.488 471 HH11 ARG 58 1HH2 ARG 58 -8.337 -5.397 13.312 472 HH12 ARG 58 2HH2 ARG 58 -9.976 -5.941 13.201 473 HH21 ARG 58 1HH1 ARG 58 -11.234 -2.826 12.339 474 HH22 ARG 58 2HH1 ARG 58 -11.617 -4.487 12.650 475 H VAL 59 H VAL 59 -4.547 0.330 12.304 476 HA VAL 59 HA VAL 59 -6.397 2.026 10.659 477 HB VAL 59 HB VAL 59 -4.425 3.356 9.944 478 HG11 VAL 59 1HG1 VAL 59 -4.217 4.643 12.062 479 HG12 VAL 59 2HG1 VAL 59 -4.973 3.305 12.927 480 HG13 VAL 59 3HG1 VAL 59 -5.888 4.200 11.714 481 HG21 VAL 59 3HG2 VAL 59 -2.547 1.978 10.336 482 HG22 VAL 59 1HG2 VAL 59 -3.061 1.575 11.973 483 HG23 VAL 59 2HG2 VAL 59 -2.426 3.178 11.619 484 H ASP 60 H ASP 60 -5.835 1.971 8.339 485 HA ASP 60 HA ASP 60 -4.762 -0.714 7.590 486 HB2 ASP 60 1HB ASP 60 -7.083 0.007 6.874 487 HB3 ASP 60 2HB ASP 60 -6.304 1.214 5.849 488 H VAL 61 H VAL 61 -2.899 -0.893 6.423 489 HA VAL 61 HA VAL 61 -1.774 1.585 5.167 490 HB VAL 61 HB VAL 61 0.402 1.128 6.054 491 HG11 VAL 61 1HG1 VAL 61 -1.344 2.142 7.604 492 HG12 VAL 61 2HG1 VAL 61 0.034 1.396 8.410 493 HG13 VAL 61 3HG1 VAL 61 -1.509 0.545 8.329 494 HG21 VAL 61 3HG2 VAL 61 0.565 -1.252 5.891 495 HG22 VAL 61 1HG2 VAL 61 -0.839 -1.492 6.933 496 HG23 VAL 61 2HG2 VAL 61 0.676 -0.899 7.615 497 H ILE 62 H ILE 62 -0.253 1.151 3.450 498 HA ILE 62 HA ILE 62 -0.312 -1.616 2.328 499 HB ILE 62 HB ILE 62 -0.747 -0.663 0.079 500 HG12 ILE 62 1HG1 ILE 62 -1.283 1.914 1.596 501 HG13 ILE 62 2HG1 ILE 62 0.119 1.629 0.565 502 HG21 ILE 62 1HG2 ILE 62 -2.887 0.216 2.026 503 HG22 ILE 62 2HG2 ILE 62 -2.576 -1.478 1.649 504 HG23 ILE 62 3HG2 ILE 62 -3.103 -0.376 0.378 505 HD11 ILE 62 3HD1 ILE 62 -2.787 1.655 -0.285 506 HD12 ILE 62 1HD1 ILE 62 -1.462 1.142 -1.329 507 HD13 ILE 62 2HD1 ILE 62 -1.534 2.806 -0.749 508 H ASP 63 H ASP 63 1.508 -2.042 0.930 509 HA ASP 63 HA ASP 63 3.749 -0.073 1.238 510 HB2 ASP 63 1HB ASP 63 3.948 -2.243 2.534 511 HB3 ASP 63 2HB ASP 63 4.032 -3.068 0.976 512 H LEU 64 H LEU 64 4.559 0.711 -0.634 513 HA LEU 64 HA LEU 64 4.153 -0.907 -3.124 514 HB2 LEU 64 1HB LEU 64 4.171 1.629 -4.133 515 HB3 LEU 64 2HB LEU 64 2.709 0.721 -3.773 516 HG LEU 64 HG LEU 64 2.853 1.760 -1.404 517 HD11 LEU 64 1HD1 LEU 64 4.114 3.811 -1.224 518 HD12 LEU 64 2HD1 LEU 64 4.606 3.712 -2.917 519 HD13 LEU 64 3HD1 LEU 64 5.230 2.547 -1.743 520 HD21 LEU 64 3HD2 LEU 64 1.872 3.910 -2.280 521 HD22 LEU 64 1HD2 LEU 64 1.166 2.441 -2.951 522 HD23 LEU 64 2HD2 LEU 64 2.324 3.372 -3.901 523 H LYS 65 H LYS 65 5.702 -0.438 -4.819 524 HA LYS 65 HA LYS 65 8.402 -0.204 -3.707 525 HB2 LYS 65 1HB LYS 65 7.804 -1.910 -5.406 526 HB3 LYS 65 2HB LYS 65 7.482 -0.622 -6.566 527 HG2 LYS 65 1HG LYS 65 9.815 0.160 -6.348 528 HG3 LYS 65 2HG LYS 65 10.143 -1.136 -5.200 529 HD2 LYS 65 1HD LYS 65 9.110 -1.661 -7.995 530 HD3 LYS 65 2HD LYS 65 10.829 -1.568 -7.630 531 HE2 LYS 65 1HE LYS 65 10.388 -3.349 -5.831 532 HE3 LYS 65 2HE LYS 65 8.815 -3.572 -6.597 533 HZ1 LYS 65 3HZ LYS 65 10.086 -3.855 -8.729 534 HZ2 LYS 65 1HZ LYS 65 10.239 -5.112 -7.602 535 HZ3 LYS 65 2HZ LYS 65 11.492 -3.979 -7.783 536 H VAL 66 H VAL 66 9.759 1.531 -3.964 537 HA VAL 66 HA VAL 66 8.899 3.758 -5.775 538 HB VAL 66 HB VAL 66 9.335 5.410 -4.111 539 HG11 VAL 66 1HG1 VAL 66 7.867 4.622 -2.177 540 HG12 VAL 66 2HG1 VAL 66 7.767 3.074 -2.990 541 HG13 VAL 66 3HG1 VAL 66 7.149 4.524 -3.778 542 HG21 VAL 66 3HG2 VAL 66 10.092 4.722 -1.799 543 HG22 VAL 66 1HG2 VAL 66 11.321 4.547 -3.046 544 HG23 VAL 66 2HG2 VAL 66 10.455 3.126 -2.455 545 H GLN 67 H GLN 67 10.755 5.240 -6.256 546 HA GLN 67 HA GLN 67 13.060 3.659 -6.941 547 HB2 GLN 67 1HB GLN 67 12.548 6.628 -7.102 548 HB3 GLN 67 2HB GLN 67 13.965 5.833 -7.789 549 HG2 GLN 67 1HG GLN 67 12.419 4.357 -9.100 550 HG3 GLN 67 2HG GLN 67 11.069 5.325 -8.506 551 HE21 GLN 67 2HE2 GLN 67 13.926 5.386 -10.607 552 HE22 GLN 67 1HE2 GLN 67 13.517 6.823 -11.412 553 HA PRO 68 HA PRO 68 15.579 4.084 -3.248 554 HB2 PRO 68 1HB PRO 68 17.812 4.885 -5.083 555 HB3 PRO 68 2HB PRO 68 17.769 3.608 -3.852 556 HG2 PRO 68 1HG PRO 68 17.608 3.100 -6.504 557 HG3 PRO 68 2HG PRO 68 16.839 2.083 -5.277 558 HD2 PRO 68 1HD PRO 68 15.575 3.938 -7.215 559 HD3 PRO 68 2HD PRO 68 14.878 2.558 -6.340 560 H GLU 69 H GLU 69 15.630 6.607 -5.707 561 HA GLU 69 HA GLU 69 16.735 8.624 -3.877 562 HB2 GLU 69 1HB GLU 69 15.584 8.824 -6.677 563 HB3 GLU 69 2HB GLU 69 16.354 10.155 -5.813 564 HG2 GLU 69 1HG GLU 69 17.699 7.507 -6.422 565 HG3 GLU 69 2HG GLU 69 17.908 8.973 -7.380 566 H LEU 70 H LEU 70 13.580 7.593 -5.017 567 HA LEU 70 HA LEU 70 12.260 10.002 -3.933 568 HB2 LEU 70 1HB LEU 70 11.126 7.473 -5.169 569 HB3 LEU 70 2HB LEU 70 10.182 8.896 -4.726 570 HG LEU 70 HG LEU 70 12.483 8.900 -6.706 571 HD11 LEU 70 1HD1 LEU 70 9.503 9.096 -7.232 572 HD12 LEU 70 2HD1 LEU 70 10.453 7.626 -7.454 573 HD13 LEU 70 3HD1 LEU 70 10.790 9.050 -8.438 574 HD21 LEU 70 3HD2 LEU 70 11.204 11.157 -7.271 575 HD22 LEU 70 1HD2 LEU 70 12.377 11.103 -5.958 576 HD23 LEU 70 2HD2 LEU 70 10.652 11.019 -5.601 577 H VAL 71 H VAL 71 13.521 7.295 -2.536 578 HA VAL 71 HA VAL 71 11.411 6.403 -0.815 579 HB VAL 71 HB VAL 71 13.504 5.140 -1.057 580 HG11 VAL 71 1HG1 VAL 71 14.945 7.188 0.623 581 HG12 VAL 71 2HG1 VAL 71 14.853 7.414 -1.120 582 HG13 VAL 71 3HG1 VAL 71 15.613 5.969 -0.460 583 HG21 VAL 71 3HG2 VAL 71 13.716 4.480 1.202 584 HG22 VAL 71 1HG2 VAL 71 12.105 5.191 1.144 585 HG23 VAL 71 2HG2 VAL 71 13.450 6.116 1.802 586 H GLY 72 H GLY 72 13.898 8.923 -0.432 587 HA2 GLY 72 1HA GLY 72 13.134 9.658 2.228 588 HA3 GLY 72 2HA GLY 72 14.055 10.671 1.119 589 H SER 73 H SER 73 12.268 11.099 -0.943 590 HA SER 73 HA SER 73 10.605 13.152 0.105 591 HB2 SER 73 1HB SER 73 11.231 13.313 -2.177 592 HB3 SER 73 2HB SER 73 10.646 11.691 -2.532 593 HG SER 73 HG SER 73 9.261 13.537 -3.147 594 H LEU 74 H LEU 74 9.690 9.905 -1.089 595 HA LEU 74 HA LEU 74 6.915 10.217 -0.425 596 HB2 LEU 74 1HB LEU 74 7.456 8.559 -2.029 597 HB3 LEU 74 2HB LEU 74 8.678 7.824 -0.999 598 HG LEU 74 HG LEU 74 5.908 7.866 0.135 599 HD11 LEU 74 1HD1 LEU 74 5.043 7.177 -1.901 600 HD12 LEU 74 2HD1 LEU 74 5.559 5.614 -1.276 601 HD13 LEU 74 3HD1 LEU 74 6.559 6.472 -2.447 602 HD21 LEU 74 3HD2 LEU 74 6.558 5.624 0.890 603 HD22 LEU 74 1HD2 LEU 74 7.867 6.750 1.237 604 HD23 LEU 74 2HD2 LEU 74 7.986 5.666 -0.137 605 H ARG 75 H ARG 75 9.661 8.764 1.307 606 HA ARG 75 HA ARG 75 8.027 7.965 3.570 607 HB2 ARG 75 1HB ARG 75 10.255 6.929 2.850 608 HB3 ARG 75 2HB ARG 75 11.027 8.334 3.583 609 HG2 ARG 75 1HG ARG 75 10.030 7.815 5.745 610 HG3 ARG 75 2HG ARG 75 9.109 6.487 5.038 611 HD2 ARG 75 1HD ARG 75 11.064 5.552 6.133 612 HD3 ARG 75 2HD ARG 75 11.285 5.406 4.389 613 HE ARG 75 HE ARG 75 12.435 7.867 5.315 614 HH11 ARG 75 1HH2 ARG 75 12.842 4.440 5.293 615 HH12 ARG 75 2HH2 ARG 75 14.566 4.512 5.431 616 HH21 ARG 75 1HH1 ARG 75 14.687 7.976 5.497 617 HH22 ARG 75 2HH1 ARG 75 15.610 6.511 5.547 618 H LYS 76 H LYS 76 9.117 10.931 2.494 619 HA LYS 76 HA LYS 76 9.454 12.122 5.180 620 HB2 LYS 76 1HB LYS 76 10.989 12.994 3.606 621 HB3 LYS 76 2HB LYS 76 9.787 13.032 2.320 622 HG2 LYS 76 1HG LYS 76 9.227 14.754 4.704 623 HG3 LYS 76 2HG LYS 76 10.556 15.260 3.666 624 HD2 LYS 76 1HD LYS 76 7.939 14.487 2.382 625 HD3 LYS 76 2HD LYS 76 8.085 16.060 3.141 626 HE2 LYS 76 1HE LYS 76 10.208 15.150 1.223 627 HE3 LYS 76 2HE LYS 76 8.688 15.787 0.600 628 HZ1 LYS 76 3HZ LYS 76 9.045 17.761 2.015 629 HZ2 LYS 76 1HZ LYS 76 10.235 17.571 0.823 630 HZ3 LYS 76 2HZ LYS 76 10.576 17.157 2.435 631 H LYS 77 H LYS 77 7.144 11.840 2.549 632 HA LYS 77 HA LYS 77 5.497 14.018 3.223 633 HB2 LYS 77 1HB LYS 77 4.923 11.399 1.854 634 HB3 LYS 77 2HB LYS 77 3.647 12.588 2.121 635 HG2 LYS 77 1HG LYS 77 4.861 14.268 0.871 636 HG3 LYS 77 2HG LYS 77 6.264 13.208 0.725 637 HD2 LYS 77 1HD LYS 77 5.053 11.670 -0.674 638 HD3 LYS 77 2HD LYS 77 3.530 12.507 -0.365 639 HE2 LYS 77 1HE LYS 77 4.453 14.541 -1.453 640 HE3 LYS 77 2HE LYS 77 5.929 13.649 -1.822 641 HZ1 LYS 77 3HZ LYS 77 3.223 12.812 -2.701 642 HZ2 LYS 77 1HZ LYS 77 4.706 12.135 -3.169 643 HZ3 LYS 77 2HZ LYS 77 4.300 13.709 -3.664 644 HA PRO 78 HA PRO 78 3.557 12.772 7.056 645 HB2 PRO 78 1HB PRO 78 0.976 13.892 6.062 646 HB3 PRO 78 2HB PRO 78 1.930 14.355 7.484 647 HG2 PRO 78 1HG PRO 78 1.807 15.911 5.317 648 HG3 PRO 78 2HG PRO 78 3.293 15.761 6.274 649 HD2 PRO 78 1HD PRO 78 2.612 14.487 3.636 650 HD3 PRO 78 2HD PRO 78 4.139 15.196 4.203 651 H GLY 79 H GLY 79 2.297 11.071 7.891 652 HA2 GLY 79 1HA GLY 79 0.652 9.353 7.875 653 HA3 GLY 79 2HA GLY 79 0.277 9.755 6.201 654 H ILE 80 H ILE 80 3.166 9.635 5.444 655 HA ILE 80 HA ILE 80 3.227 6.741 4.976 656 HB ILE 80 HB ILE 80 5.145 8.924 4.111 657 HG12 ILE 80 1HG1 ILE 80 4.019 8.466 1.876 658 HG13 ILE 80 2HG1 ILE 80 2.830 7.512 2.753 659 HG21 ILE 80 1HG2 ILE 80 5.967 7.223 2.517 660 HG22 ILE 80 2HG2 ILE 80 4.874 6.034 3.220 661 HG23 ILE 80 3HG2 ILE 80 6.205 6.680 4.175 662 HD11 ILE 80 3HD1 ILE 80 1.830 9.358 3.691 663 HD12 ILE 80 1HD1 ILE 80 2.446 10.108 2.222 664 HD13 ILE 80 2HD1 ILE 80 3.322 10.294 3.740 665 H TYR 81 H TYR 81 4.376 5.314 6.153 666 HA TYR 81 HA TYR 81 6.512 6.378 7.962 667 HB2 TYR 81 1HB TYR 81 4.331 4.361 8.476 668 HB3 TYR 81 2HB TYR 81 5.809 4.361 9.440 669 HD1 TYR 81 HD1 TYR 81 6.430 6.364 10.786 670 HD2 TYR 81 HD2 TYR 81 2.678 6.092 8.714 671 HE1 TYR 81 HE1 TYR 81 5.549 8.248 12.137 672 HE2 TYR 81 HE2 TYR 81 1.795 7.974 10.066 673 HH TYR 81 HH TYR 81 3.667 10.052 11.765 674 HA PRO 82 HA PRO 82 9.497 3.622 6.184 675 HB2 PRO 82 1HB PRO 82 9.853 2.468 8.932 676 HB3 PRO 82 2HB PRO 82 11.073 3.081 7.801 677 HG2 PRO 82 1HG PRO 82 10.236 4.487 9.952 678 HG3 PRO 82 2HG PRO 82 10.779 5.254 8.451 679 HD2 PRO 82 1HD PRO 82 8.038 5.086 9.559 680 HD3 PRO 82 2HD PRO 82 8.703 6.194 8.338 681 H ALA 83 H ALA 83 9.827 1.316 5.713 682 HA ALA 83 HA ALA 83 7.407 -0.182 5.527 683 HB1 ALA 83 3HB ALA 83 9.075 -0.688 3.928 684 HB2 ALA 83 1HB ALA 83 9.051 -2.105 4.979 685 HB3 ALA 83 2HB ALA 83 10.317 -0.888 5.165 686 H TYR 84 H TYR 84 6.633 -1.919 6.731 687 HA TYR 84 HA TYR 84 7.635 -2.114 9.505 688 HB2 TYR 84 1HB TYR 84 5.211 -1.920 9.114 689 HB3 TYR 84 2HB TYR 84 5.245 -3.377 8.121 690 HD1 TYR 84 HD1 TYR 84 6.100 -2.132 11.543 691 HD2 TYR 84 HD2 TYR 84 4.938 -5.486 9.126 692 HE1 TYR 84 HE1 TYR 84 5.831 -3.510 13.586 693 HE2 TYR 84 HE2 TYR 84 4.669 -6.865 11.169 694 HH TYR 84 HH TYR 84 4.604 -6.838 13.408 695 H HIS 85 H HIS 85 8.545 -3.493 6.687 696 HA HIS 85 HA HIS 85 8.890 -6.249 7.812 697 HB2 HIS 85 1HB HIS 85 7.829 -6.011 5.552 698 HB3 HIS 85 2HB HIS 85 9.335 -5.294 4.972 699 HD1 HIS 85 HD1 HIS 85 8.343 -8.443 6.899 700 HD2 HIS 85 HD2 HIS 85 11.018 -7.221 3.946 701 HE1 HIS 85 HE1 HIS 85 9.640 -10.506 6.210 702 H MET 86 H MET 86 11.036 -7.252 6.880 703 HA MET 86 HA MET 86 13.228 -5.918 8.144 704 HB2 MET 86 1HB MET 86 13.045 -8.242 6.218 705 HB3 MET 86 2HB MET 86 14.586 -7.689 6.873 706 HG2 MET 86 1HG MET 86 13.763 -8.056 9.161 707 HG3 MET 86 2HG MET 86 12.197 -8.560 8.526 708 HE1 MET 86 3HE MET 86 16.225 -10.609 8.435 709 HE2 MET 86 1HE MET 86 15.839 -8.885 8.496 710 HE3 MET 86 2HE MET 86 15.905 -9.721 6.948 711 H ASN 87 H ASN 87 12.244 -6.177 4.734 712 HA ASN 87 HA ASN 87 14.597 -4.798 3.750 713 HB2 ASN 87 1HB ASN 87 11.918 -5.459 2.496 714 HB3 ASN 87 2HB ASN 87 13.219 -4.656 1.616 715 HD21 ASN 87 2HD2 ASN 87 15.404 -6.143 2.945 716 HD22 ASN 87 1HD2 ASN 87 15.330 -7.734 2.361 717 H LYS 88 H LYS 88 14.937 -2.640 3.586 718 HA LYS 88 HA LYS 88 12.626 -0.778 3.557 719 HB2 LYS 88 1HB LYS 88 13.317 -1.102 5.958 720 HB3 LYS 88 2HB LYS 88 14.905 -0.461 5.529 721 HG2 LYS 88 1HG LYS 88 13.892 1.638 4.779 722 HG3 LYS 88 2HG LYS 88 12.279 1.010 5.122 723 HD2 LYS 88 1HD LYS 88 14.478 1.342 7.187 724 HD3 LYS 88 2HD LYS 88 13.149 2.473 6.950 725 HE2 LYS 88 1HE LYS 88 12.210 1.175 8.622 726 HE3 LYS 88 2HE LYS 88 11.706 0.204 7.238 727 HZ1 LYS 88 3HZ LYS 88 12.772 -1.428 8.306 728 HZ2 LYS 88 1HZ LYS 88 13.662 -0.365 9.283 729 HZ3 LYS 88 2HZ LYS 88 14.190 -0.712 7.707 730 H GLU 89 H GLU 89 13.207 -0.122 1.480 731 HA GLU 89 HA GLU 89 15.171 1.916 1.215 732 HB2 GLU 89 1HB GLU 89 16.688 0.646 -0.419 733 HB3 GLU 89 2HB GLU 89 16.902 0.273 1.290 734 HG2 GLU 89 1HG GLU 89 15.428 -1.707 1.028 735 HG3 GLU 89 2HG GLU 89 15.275 -1.347 -0.692 736 H HIS 90 H HIS 90 13.491 -0.708 -0.497 737 HA HIS 90 HA HIS 90 12.807 1.222 -2.693 738 HB2 HIS 90 1HB HIS 90 12.674 -1.803 -2.781 739 HB3 HIS 90 2HB HIS 90 12.533 -0.685 -4.136 740 HD1 HIS 90 HD1 HIS 90 14.952 1.170 -3.152 741 HD2 HIS 90 HD2 HIS 90 15.093 -2.959 -3.708 742 HE1 HIS 90 HE1 HIS 90 17.387 0.579 -3.526 743 H TRP 91 H TRP 91 11.551 -0.862 -0.191 744 HA TRP 91 HA TRP 91 8.745 -0.345 -1.138 745 HB2 TRP 91 1HB TRP 91 9.570 -2.389 0.929 746 HB3 TRP 91 2HB TRP 91 8.094 -2.334 -0.037 747 HD1 TRP 91 HD1 TRP 91 8.133 -3.411 -2.389 748 HE1 TRP 91 HE1 TRP 91 9.907 -4.712 -3.729 749 HE3 TRP 91 HE3 TRP 91 12.259 -2.536 0.493 750 HZ2 TRP 91 HZ2 TRP 91 12.694 -5.299 -3.615 751 HZ3 TRP 91 HZ3 TRP 91 14.459 -3.479 -0.150 752 HH2 TRP 91 HH2 TRP 91 14.682 -4.857 -2.198 753 H ILE 92 H ILE 92 7.459 0.916 0.135 754 HA ILE 92 HA ILE 92 8.265 1.404 2.978 755 HB ILE 92 HB ILE 92 7.687 3.510 0.871 756 HG12 ILE 92 1HG1 ILE 92 9.870 4.425 1.922 757 HG13 ILE 92 2HG1 ILE 92 10.041 2.841 2.664 758 HG21 ILE 92 1HG2 ILE 92 7.962 5.088 2.875 759 HG22 ILE 92 2HG2 ILE 92 7.671 3.674 3.886 760 HG23 ILE 92 3HG2 ILE 92 6.429 4.221 2.759 761 HD11 ILE 92 3HD1 ILE 92 10.917 2.021 0.760 762 HD12 ILE 92 1HD1 ILE 92 10.823 3.626 0.058 763 HD13 ILE 92 2HD1 ILE 92 9.491 2.501 -0.163 764 H THR 93 H THR 93 6.508 1.846 4.366 765 HA THR 93 HA THR 93 3.913 0.896 3.331 766 HB THR 93 HB THR 93 3.324 1.226 5.850 767 HG1 THR 93 HG1 THR 93 5.842 0.920 6.622 768 HG21 THR 93 3HG2 THR 93 4.795 -0.848 6.401 769 HG22 THR 93 1HG2 THR 93 5.294 -0.755 4.711 770 HG23 THR 93 2HG2 THR 93 3.595 -0.993 5.118 771 H VAL 94 H VAL 94 2.001 2.103 3.382 772 HA VAL 94 HA VAL 94 2.301 5.051 3.828 773 HB VAL 94 HB VAL 94 0.788 3.591 1.657 774 HG11 VAL 94 1HG1 VAL 94 -0.660 5.356 2.265 775 HG12 VAL 94 2HG1 VAL 94 0.289 6.034 0.942 776 HG13 VAL 94 3HG1 VAL 94 0.677 6.454 2.610 777 HG21 VAL 94 3HG2 VAL 94 3.175 5.451 1.718 778 HG22 VAL 94 1HG2 VAL 94 2.251 5.162 0.245 779 HG23 VAL 94 2HG2 VAL 94 3.078 3.826 1.044 780 H LEU 95 H LEU 95 0.761 5.949 5.128 781 HA LEU 95 HA LEU 95 -1.188 4.126 6.378 782 HB2 LEU 95 1HB LEU 95 0.148 5.754 7.715 783 HB3 LEU 95 2HB LEU 95 -0.662 7.072 6.870 784 HG LEU 95 HG LEU 95 -2.849 6.224 7.709 785 HD11 LEU 95 1HD1 LEU 95 -2.682 3.966 8.169 786 HD12 LEU 95 2HD1 LEU 95 -2.479 4.614 9.792 787 HD13 LEU 95 3HD1 LEU 95 -1.067 4.106 8.866 788 HD21 LEU 95 3HD2 LEU 95 -0.881 6.655 9.966 789 HD22 LEU 95 1HD2 LEU 95 -2.587 7.099 9.930 790 HD23 LEU 95 2HD2 LEU 95 -1.432 7.954 8.908 791 H LEU 96 H LEU 96 -3.082 3.822 5.327 792 HA LEU 96 HA LEU 96 -4.190 5.671 3.409 793 HB2 LEU 96 1HB LEU 96 -5.366 3.302 4.889 794 HB3 LEU 96 2HB LEU 96 -6.242 4.194 3.646 795 HG LEU 96 HG LEU 96 -3.529 2.907 3.211 796 HD11 LEU 96 1HD1 LEU 96 -4.969 1.269 1.828 797 HD12 LEU 96 2HD1 LEU 96 -6.332 1.880 2.764 798 HD13 LEU 96 3HD1 LEU 96 -4.986 1.085 3.581 799 HD21 LEU 96 3HD2 LEU 96 -5.470 4.426 1.484 800 HD22 LEU 96 1HD2 LEU 96 -4.539 3.123 0.746 801 HD23 LEU 96 2HD2 LEU 96 -3.707 4.476 1.502 802 H ASN 97 H ASN 97 -4.773 5.019 6.833 803 HA ASN 97 HA ASN 97 -7.005 6.854 7.042 804 HB2 ASN 97 1HB ASN 97 -5.164 5.646 9.126 805 HB3 ASN 97 2HB ASN 97 -6.606 6.590 9.507 806 HD21 ASN 97 2HD2 ASN 97 -8.566 5.686 7.874 807 HD22 ASN 97 1HD2 ASN 97 -8.782 4.007 8.007 808 H GLY 98 H GLY 98 -3.825 7.374 6.403 809 HA2 GLY 98 1HA GLY 98 -3.079 9.486 8.173 810 HA3 GLY 98 2HA GLY 98 -2.393 9.212 6.575 811 HA PRO 99 HA PRO 99 -5.138 13.098 6.689 812 HB2 PRO 99 1HB PRO 99 -3.143 14.965 6.455 813 HB3 PRO 99 2HB PRO 99 -3.698 14.346 8.024 814 HG2 PRO 99 1HG PRO 99 -1.313 13.529 6.413 815 HG3 PRO 99 2HG PRO 99 -1.440 13.836 8.155 816 HD2 PRO 99 1HD PRO 99 -1.463 11.314 7.135 817 HD3 PRO 99 2HD PRO 99 -2.381 11.750 8.594 818 H LEU 100 H LEU 100 -2.670 11.751 4.701 819 HA LEU 100 HA LEU 100 -2.756 13.526 2.473 820 HB2 LEU 100 1HB LEU 100 -1.958 11.506 1.170 821 HB3 LEU 100 2HB LEU 100 -0.988 11.941 2.573 822 HG LEU 100 HG LEU 100 -2.795 10.173 3.716 823 HD11 LEU 100 1HD1 LEU 100 -3.646 9.722 1.356 824 HD12 LEU 100 2HD1 LEU 100 -3.155 8.309 2.291 825 HD13 LEU 100 3HD1 LEU 100 -2.085 8.959 1.048 826 HD21 LEU 100 3HD2 LEU 100 -0.333 10.169 3.975 827 HD22 LEU 100 1HD2 LEU 100 -0.172 9.442 2.377 828 HD23 LEU 100 2HD2 LEU 100 -0.959 8.548 3.678 829 H GLY 101 H GLY 101 -4.108 13.676 0.734 830 HA2 GLY 101 1HA GLY 101 -6.777 12.562 1.004 831 HA3 GLY 101 2HA GLY 101 -6.219 13.608 -0.298 832 H ALA 102 H ALA 102 -7.856 11.568 -0.949 833 HA ALA 102 HA ALA 102 -6.607 9.088 -1.625 834 HB1 ALA 102 3HB ALA 102 -8.555 8.721 -3.033 835 HB2 ALA 102 1HB ALA 102 -8.932 10.444 -3.016 836 HB3 ALA 102 2HB ALA 102 -9.077 9.494 -1.537 837 H LYS 103 H LYS 103 -6.906 12.165 -3.328 838 HA LYS 103 HA LYS 103 -5.970 11.297 -5.880 839 HB2 LYS 103 1HB LYS 103 -5.612 13.983 -4.510 840 HB3 LYS 103 2HB LYS 103 -5.398 13.684 -6.233 841 HG2 LYS 103 1HG LYS 103 -7.989 13.211 -4.725 842 HG3 LYS 103 2HG LYS 103 -7.637 14.658 -5.667 843 HD2 LYS 103 1HD LYS 103 -7.165 12.999 -7.623 844 HD3 LYS 103 2HD LYS 103 -8.047 11.829 -6.641 845 HE2 LYS 103 1HE LYS 103 -9.128 14.537 -7.469 846 HE3 LYS 103 2HE LYS 103 -9.536 13.007 -8.243 847 HZ1 LYS 103 3HZ LYS 103 -11.191 13.024 -6.742 848 HZ2 LYS 103 1HZ LYS 103 -10.383 14.073 -5.682 849 HZ3 LYS 103 2HZ LYS 103 -10.002 12.417 -5.691 850 H GLU 104 H GLU 104 -4.266 12.362 -2.966 851 HA GLU 104 HA GLU 104 -1.644 12.409 -4.119 852 HB2 GLU 104 1HB GLU 104 -2.579 11.944 -1.272 853 HB3 GLU 104 2HB GLU 104 -0.892 12.185 -1.729 854 HG2 GLU 104 1HG GLU 104 -1.432 14.388 -2.663 855 HG3 GLU 104 2HG GLU 104 -3.138 14.147 -2.285 856 H ILE 105 H ILE 105 -3.565 9.831 -2.602 857 HA ILE 105 HA ILE 105 -1.478 7.876 -2.481 858 HB ILE 105 HB ILE 105 -4.478 7.572 -2.789 859 HG12 ILE 105 1HG1 ILE 105 -2.667 7.211 -0.384 860 HG13 ILE 105 2HG1 ILE 105 -3.583 8.680 -0.722 861 HG21 ILE 105 1HG2 ILE 105 -3.971 5.224 -1.878 862 HG22 ILE 105 2HG2 ILE 105 -2.294 5.530 -2.328 863 HG23 ILE 105 3HG2 ILE 105 -3.553 5.520 -3.563 864 HD11 ILE 105 3HD1 ILE 105 -4.963 7.450 0.768 865 HD12 ILE 105 1HD1 ILE 105 -4.633 5.933 -0.066 866 HD13 ILE 105 2HD1 ILE 105 -5.655 7.145 -0.825 867 H HIS 106 H HIS 106 -3.861 8.624 -5.023 868 HA HIS 106 HA HIS 106 -3.111 6.541 -6.815 869 HB2 HIS 106 1HB HIS 106 -4.270 9.296 -7.309 870 HB3 HIS 106 2HB HIS 106 -4.085 8.080 -8.574 871 HD1 HIS 106 HD1 HIS 106 -6.889 8.645 -8.290 872 HD2 HIS 106 HD2 HIS 106 -5.044 6.090 -5.562 873 HE1 HIS 106 HE1 HIS 106 -8.736 7.277 -7.230 874 H SER 107 H SER 107 -1.906 9.875 -6.466 875 HA SER 107 HA SER 107 -0.129 9.823 -8.695 876 HB2 SER 107 1HB SER 107 1.015 11.691 -7.530 877 HB3 SER 107 2HB SER 107 -0.735 11.895 -7.517 878 HG SER 107 HG SER 107 0.531 10.512 -5.427 879 H LEU 108 H LEU 108 0.391 8.990 -5.262 880 HA LEU 108 HA LEU 108 3.172 8.359 -5.529 881 HB2 LEU 108 1HB LEU 108 1.070 7.376 -3.577 882 HB3 LEU 108 2HB LEU 108 2.794 7.045 -3.409 883 HG LEU 108 HG LEU 108 1.556 9.813 -3.539 884 HD11 LEU 108 1HD1 LEU 108 1.998 9.933 -1.146 885 HD12 LEU 108 2HD1 LEU 108 2.712 8.320 -1.166 886 HD13 LEU 108 3HD1 LEU 108 0.988 8.525 -1.479 887 HD21 LEU 108 3HD2 LEU 108 4.011 10.215 -2.483 888 HD22 LEU 108 1HD2 LEU 108 3.725 10.231 -4.221 889 HD23 LEU 108 2HD2 LEU 108 4.374 8.786 -3.452 890 H ILE 109 H ILE 109 0.251 6.332 -5.726 891 HA ILE 109 HA ILE 109 1.636 3.859 -6.123 892 HB ILE 109 HB ILE 109 -1.144 4.767 -6.928 893 HG12 ILE 109 1HG1 ILE 109 -0.241 2.883 -4.736 894 HG13 ILE 109 2HG1 ILE 109 -0.521 4.604 -4.474 895 HG21 ILE 109 1HG2 ILE 109 -1.538 2.232 -7.069 896 HG22 ILE 109 2HG2 ILE 109 0.215 2.077 -7.151 897 HG23 ILE 109 3HG2 ILE 109 -0.652 2.966 -8.403 898 HD11 ILE 109 3HD1 ILE 109 -2.537 2.535 -5.381 899 HD12 ILE 109 1HD1 ILE 109 -2.850 4.270 -5.399 900 HD13 ILE 109 2HD1 ILE 109 -2.547 3.443 -3.870 901 H GLU 110 H GLU 110 0.360 6.278 -8.411 902 HA GLU 110 HA GLU 110 0.858 4.913 -10.822 903 HB2 GLU 110 1HB GLU 110 -0.270 7.157 -10.569 904 HB3 GLU 110 2HB GLU 110 1.325 7.871 -10.340 905 HG2 GLU 110 1HG GLU 110 0.769 8.128 -12.666 906 HG3 GLU 110 2HG GLU 110 1.985 6.854 -12.570 907 H ASP 111 H ASP 111 3.087 6.831 -8.812 908 HA ASP 111 HA ASP 111 5.329 6.692 -10.572 909 HB2 ASP 111 1HB ASP 111 5.124 6.926 -7.561 910 HB3 ASP 111 2HB ASP 111 6.660 7.006 -8.423 911 H SER 112 H SER 112 4.295 4.545 -7.910 912 HA SER 112 HA SER 112 6.485 2.729 -8.057 913 HB2 SER 112 1HB SER 112 3.622 2.050 -7.345 914 HB3 SER 112 2HB SER 112 5.076 1.194 -6.835 915 HG SER 112 HG SER 112 5.543 3.607 -6.124 916 H PHE 113 H PHE 113 3.444 2.875 -9.857 917 HA PHE 113 HA PHE 113 3.616 0.358 -11.165 918 HB2 PHE 113 1HB PHE 113 1.595 1.761 -11.199 919 HB3 PHE 113 2HB PHE 113 2.435 2.960 -12.182 920 HD1 PHE 113 HD2 PHE 113 1.471 -0.657 -12.126 921 HD2 PHE 113 HD1 PHE 113 2.452 2.765 -14.530 922 HE1 PHE 113 HE2 PHE 113 0.878 -1.924 -14.173 923 HE2 PHE 113 HE1 PHE 113 1.858 1.498 -16.576 924 HZ PHE 113 HZ PHE 113 1.070 -0.847 -16.399 925 H GLN 114 H GLN 114 4.901 3.544 -12.121 926 HA GLN 114 HA GLN 114 5.844 2.928 -14.678 927 HB2 GLN 114 1HB GLN 114 7.126 4.646 -12.537 928 HB3 GLN 114 2HB GLN 114 7.622 4.645 -14.230 929 HG2 GLN 114 1HG GLN 114 5.346 5.316 -14.903 930 HG3 GLN 114 2HG GLN 114 4.843 5.311 -13.212 931 HE21 GLN 114 2HE2 GLN 114 4.425 7.731 -14.114 932 HE22 GLN 114 1HE2 GLN 114 5.684 8.821 -13.788 933 H LEU 115 H LEU 115 7.381 2.229 -11.552 934 HA LEU 115 HA LEU 115 9.844 1.222 -12.601 935 HB2 LEU 115 1HB LEU 115 8.330 0.860 -10.022 936 HB3 LEU 115 2HB LEU 115 9.779 -0.096 -10.323 937 HG LEU 115 HG LEU 115 11.111 1.918 -10.620 938 HD11 LEU 115 1HD1 LEU 115 9.993 4.157 -10.194 939 HD12 LEU 115 2HD1 LEU 115 8.445 3.328 -10.329 940 HD13 LEU 115 3HD1 LEU 115 9.541 3.385 -11.710 941 HD21 LEU 115 3HD2 LEU 115 9.313 1.899 -8.184 942 HD22 LEU 115 1HD2 LEU 115 10.686 2.994 -8.333 943 HD23 LEU 115 2HD2 LEU 115 10.946 1.251 -8.329 944 H THR 116 H THR 116 6.743 -0.379 -11.899 945 HA THR 116 HA THR 116 7.827 -2.974 -12.839 946 HB THR 116 HB THR 116 5.876 -3.945 -11.945 947 HG1 THR 116 HG1 THR 116 4.756 -1.363 -12.238 948 HG21 THR 116 3HG2 THR 116 6.093 -1.460 -10.239 949 HG22 THR 116 1HG2 THR 116 7.358 -2.691 -10.264 950 HG23 THR 116 2HG2 THR 116 5.732 -3.110 -9.726 951 H ARG 117 H ARG 117 6.850 -0.305 -14.376 952 HA ARG 117 HA ARG 117 4.784 -0.742 -16.117 953 HB2 ARG 117 1HB ARG 117 5.996 0.549 -17.796 954 HB3 ARG 117 2HB ARG 117 6.301 1.220 -16.197 955 HG2 ARG 117 1HG ARG 117 8.436 -0.072 -16.098 956 HG3 ARG 117 2HG ARG 117 8.144 -0.626 -17.748 957 HD2 ARG 117 1HD ARG 117 8.126 1.701 -18.544 958 HD3 ARG 117 2HD ARG 117 8.393 2.272 -16.899 959 HE ARG 117 HE ARG 117 10.662 1.549 -17.042 960 HH11 ARG 117 1HH2 ARG 117 8.743 0.536 -19.730 961 HH12 ARG 117 2HH2 ARG 117 10.105 0.069 -20.689 962 HH21 ARG 117 1HH1 ARG 117 12.444 0.944 -18.284 963 HH22 ARG 117 2HH1 ARG 117 12.199 0.299 -19.873 964 H LEU 118 H LEU 118 4.715 -1.566 -18.360 965 HA LEU 118 HA LEU 118 5.871 -4.257 -18.487 966 HB2 LEU 118 1HB LEU 118 3.878 -2.707 -20.132 967 HB3 LEU 118 2HB LEU 118 4.514 -4.244 -20.714 968 HG LEU 118 HG LEU 118 3.350 -3.978 -17.931 969 HD11 LEU 118 1HD1 LEU 118 1.538 -3.264 -19.296 970 HD12 LEU 118 2HD1 LEU 118 1.250 -4.979 -18.997 971 HD13 LEU 118 3HD1 LEU 118 1.911 -4.451 -20.545 972 HD21 LEU 118 3HD2 LEU 118 3.929 -6.262 -19.840 973 HD22 LEU 118 1HD2 LEU 118 2.838 -6.455 -18.472 974 HD23 LEU 118 2HD2 LEU 118 4.525 -6.035 -18.201 975 H GLU 119 H GLU 119 7.499 -4.918 -19.783 976 HA GLU 119 HA GLU 119 9.182 -2.889 -21.022 977 HB2 GLU 119 1HB GLU 119 10.620 -4.851 -21.604 978 HB3 GLU 119 2HB GLU 119 10.223 -4.768 -19.888 979 HG2 GLU 119 1HG GLU 119 8.414 -6.407 -20.216 980 HG3 GLU 119 2HG GLU 119 8.792 -6.485 -21.938 981 H HIS 120 H HIS 120 9.961 -3.137 -23.286 982 HA HIS 120 HA HIS 120 9.499 -3.106 -25.576 983 HB2 HIS 120 1HB HIS 120 8.074 -5.655 -24.779 984 HB3 HIS 120 2HB HIS 120 8.345 -5.159 -26.448 985 HD1 HIS 120 HD1 HIS 120 10.998 -4.661 -27.018 986 HD2 HIS 120 HD2 HIS 120 10.187 -7.091 -23.730 987 HE1 HIS 120 HE1 HIS 120 13.136 -5.925 -26.517 988 H HIS 121 H HIS 121 6.463 -4.738 -25.042 989 HA HIS 121 HA HIS 121 5.047 -2.583 -26.367 990 HB2 HIS 121 1HB HIS 121 4.081 -5.100 -24.989 991 HB3 HIS 121 2HB HIS 121 3.035 -4.005 -25.894 992 HD1 HIS 121 HD1 HIS 121 5.800 -6.508 -26.337 993 HD2 HIS 121 HD2 HIS 121 3.405 -4.067 -28.722 994 HE1 HIS 121 HE1 HIS 121 6.166 -7.260 -28.728 995 H HIS 122 H HIS 122 4.376 -0.773 -25.384 996 HA HIS 122 HA HIS 122 4.002 -0.734 -22.429 997 HB2 HIS 122 1HB HIS 122 5.402 1.009 -23.631 998 HB3 HIS 122 2HB HIS 122 3.916 1.581 -24.386 999 HD1 HIS 122 HD1 HIS 122 2.049 2.521 -22.747 1000 HD2 HIS 122 HD2 HIS 122 5.766 1.852 -20.984 1001 HE1 HIS 122 HE1 HIS 122 2.017 3.738 -20.528 1002 H HIS 123 H HIS 123 2.208 -1.169 -25.230 1003 HA HIS 123 HA HIS 123 -0.074 -1.072 -25.726 1004 HB2 HIS 123 1HB HIS 123 -0.150 -1.351 -22.711 1005 HB3 HIS 123 2HB HIS 123 -1.581 -1.461 -23.736 1006 HD1 HIS 123 HD1 HIS 123 0.144 -3.778 -22.033 1007 HD2 HIS 123 HD2 HIS 123 -0.295 -3.337 -26.156 1008 HE1 HIS 123 HE1 HIS 123 0.614 -6.048 -23.053 1009 H HIS 124 H HIS 124 0.061 1.111 -26.508 1010 HA HIS 124 HA HIS 124 -0.378 3.370 -24.733 1011 HB2 HIS 124 1HB HIS 124 -0.575 3.114 -27.748 1012 HB3 HIS 124 2HB HIS 124 -0.638 4.640 -26.864 1013 HD1 HIS 124 HD1 HIS 124 1.558 5.032 -25.228 1014 HD2 HIS 124 HD2 HIS 124 2.004 2.348 -28.386 1015 HE1 HIS 124 HE1 HIS 124 4.050 4.749 -25.580 1016 H HIS 125 H HIS 125 -2.299 4.450 -24.322 1017 HA HIS 125 HA HIS 125 -4.748 3.077 -24.285 1018 HB2 HIS 125 1HB HIS 125 -4.260 6.066 -24.435 1019 HB3 HIS 125 2HB HIS 125 -5.782 5.315 -23.954 1020 HD1 HIS 125 HD1 HIS 125 -5.645 3.739 -21.764 1021 HD2 HIS 125 HD2 HIS 125 -2.387 6.266 -22.381 1022 HE1 HIS 125 HE1 HIS 125 -4.390 3.838 -19.567 Start of MODEL 8 1 H1 MET 1 1H MET 1 -7.559 8.074 2.036 2 H2 MET 1 2H MET 1 -9.186 8.561 1.978 3 H3 MET 1 3H MET 1 -8.103 9.058 0.767 4 HA MET 1 HA MET 1 -9.478 7.307 -0.093 5 HB2 MET 1 1HB MET 1 -7.091 7.396 -0.773 6 HB3 MET 1 2HB MET 1 -6.687 6.316 0.562 7 HG2 MET 1 1HG MET 1 -8.105 4.564 -0.376 8 HG3 MET 1 2HG MET 1 -8.629 5.645 -1.668 9 HE1 MET 1 3HE MET 1 -7.475 5.405 -4.063 10 HE2 MET 1 1HE MET 1 -5.839 6.076 -4.019 11 HE3 MET 1 2HE MET 1 -7.143 6.867 -3.138 12 H ASN 2 H ASN 2 -10.616 5.417 0.292 13 HA ASN 2 HA ASN 2 -10.430 4.305 3.056 14 HB2 ASN 2 1HB ASN 2 -12.578 4.138 0.927 15 HB3 ASN 2 2HB ASN 2 -12.652 3.280 2.465 16 HD21 ASN 2 2HD2 ASN 2 -14.002 5.884 1.133 17 HD22 ASN 2 1HD2 ASN 2 -14.035 6.954 2.450 18 H ARG 3 H ARG 3 -10.666 1.951 3.299 19 HA ARG 3 HA ARG 3 -8.760 0.483 1.772 20 HB2 ARG 3 1HB ARG 3 -9.475 -0.081 4.094 21 HB3 ARG 3 2HB ARG 3 -11.040 -0.588 3.464 22 HG2 ARG 3 1HG ARG 3 -9.927 -2.297 2.073 23 HG3 ARG 3 2HG ARG 3 -8.362 -1.791 2.710 24 HD2 ARG 3 1HD ARG 3 -9.210 -2.305 5.019 25 HD3 ARG 3 2HD ARG 3 -10.663 -2.979 4.284 26 HE ARG 3 HE ARG 3 -7.976 -4.188 4.248 27 HH11 ARG 3 1HH2 ARG 3 -11.185 -4.068 2.978 28 HH12 ARG 3 2HH2 ARG 3 -11.137 -5.685 2.361 29 HH21 ARG 3 1HH1 ARG 3 -7.901 -6.290 3.444 30 HH22 ARG 3 2HH1 ARG 3 -9.281 -6.941 2.622 31 H GLN 4 H GLN 4 -12.318 0.558 1.628 32 HA GLN 4 HA GLN 4 -12.630 -1.470 -0.349 33 HB2 GLN 4 1HB GLN 4 -14.424 -0.287 1.099 34 HB3 GLN 4 2HB GLN 4 -14.419 0.959 -0.148 35 HG2 GLN 4 1HG GLN 4 -14.861 -1.987 -0.722 36 HG3 GLN 4 2HG GLN 4 -16.165 -0.824 -0.491 37 HE21 GLN 4 2HE2 GLN 4 -14.895 -2.367 -2.967 38 HE22 GLN 4 1HE2 GLN 4 -14.819 -1.147 -4.145 39 H GLN 5 H GLN 5 -12.061 2.025 -0.656 40 HA GLN 5 HA GLN 5 -12.392 2.165 -3.497 41 HB2 GLN 5 1HB GLN 5 -10.727 3.820 -1.579 42 HB3 GLN 5 2HB GLN 5 -10.932 4.220 -3.286 43 HG2 GLN 5 1HG GLN 5 -13.350 4.378 -2.999 44 HG3 GLN 5 2HG GLN 5 -13.209 3.871 -1.315 45 HE21 GLN 5 2HE2 GLN 5 -13.458 6.609 -3.254 46 HE22 GLN 5 1HE2 GLN 5 -12.806 7.751 -2.180 47 H PHE 6 H PHE 6 -9.616 1.359 -1.453 48 HA PHE 6 HA PHE 6 -7.617 1.354 -3.480 49 HB2 PHE 6 1HB PHE 6 -7.229 1.162 -0.992 50 HB3 PHE 6 2HB PHE 6 -7.759 -0.516 -1.099 51 HD1 PHE 6 HD1 PHE 6 -5.310 1.901 -2.566 52 HD2 PHE 6 HD2 PHE 6 -6.217 -2.205 -1.690 53 HE1 PHE 6 HE1 PHE 6 -3.031 1.243 -3.285 54 HE2 PHE 6 HE2 PHE 6 -3.938 -2.863 -2.413 55 HZ PHE 6 HZ PHE 6 -2.344 -1.138 -3.209 56 H ILE 7 H ILE 7 -9.787 -1.248 -2.348 57 HA ILE 7 HA ILE 7 -8.747 -3.307 -4.035 58 HB ILE 7 HB ILE 7 -11.621 -2.951 -3.138 59 HG12 ILE 7 1HG1 ILE 7 -10.161 -2.741 -1.203 60 HG13 ILE 7 2HG1 ILE 7 -10.924 -4.328 -1.167 61 HG21 ILE 7 1HG2 ILE 7 -11.436 -4.723 -4.746 62 HG22 ILE 7 2HG2 ILE 7 -11.528 -5.484 -3.158 63 HG23 ILE 7 3HG2 ILE 7 -9.975 -5.347 -3.982 64 HD11 ILE 7 3HD1 ILE 7 -8.074 -3.618 -1.820 65 HD12 ILE 7 1HD1 ILE 7 -8.767 -5.114 -2.439 66 HD13 ILE 7 2HD1 ILE 7 -8.683 -4.834 -0.701 67 H ASP 8 H ASP 8 -11.434 -1.010 -4.571 68 HA ASP 8 HA ASP 8 -12.121 -1.966 -7.185 69 HB2 ASP 8 1HB ASP 8 -13.575 -0.462 -5.848 70 HB3 ASP 8 2HB ASP 8 -12.396 0.836 -6.036 71 H TYR 9 H TYR 9 -9.844 0.549 -6.093 72 HA TYR 9 HA TYR 9 -9.111 1.519 -8.671 73 HB2 TYR 9 1HB TYR 9 -8.449 2.694 -6.640 74 HB3 TYR 9 2HB TYR 9 -7.498 1.307 -6.110 75 HD1 TYR 9 HD1 TYR 9 -7.719 4.051 -8.586 76 HD2 TYR 9 HD2 TYR 9 -5.337 0.821 -7.055 77 HE1 TYR 9 HE1 TYR 9 -5.758 4.900 -9.844 78 HE2 TYR 9 HE2 TYR 9 -3.377 1.669 -8.315 79 HH TYR 9 HH TYR 9 -3.573 3.821 -10.792 80 H ALA 10 H ALA 10 -7.591 -1.015 -6.656 81 HA ALA 10 HA ALA 10 -5.651 -1.755 -8.655 82 HB1 ALA 10 3HB ALA 10 -6.717 -3.600 -6.509 83 HB2 ALA 10 1HB ALA 10 -5.618 -2.271 -6.130 84 HB3 ALA 10 2HB ALA 10 -5.100 -3.559 -7.215 85 H GLN 11 H GLN 11 -8.899 -2.903 -7.850 86 HA GLN 11 HA GLN 11 -8.903 -5.210 -9.526 87 HB2 GLN 11 1HB GLN 11 -10.615 -4.704 -7.783 88 HB3 GLN 11 2HB GLN 11 -11.243 -3.417 -8.813 89 HG2 GLN 11 1HG GLN 11 -11.844 -4.981 -10.532 90 HG3 GLN 11 2HG GLN 11 -11.012 -6.298 -9.703 91 HE21 GLN 11 2HE2 GLN 11 -12.037 -7.228 -7.811 92 HE22 GLN 11 1HE2 GLN 11 -13.659 -6.904 -7.424 93 H LYS 12 H LYS 12 -10.088 -1.893 -10.199 94 HA LYS 12 HA LYS 12 -10.790 -2.444 -12.920 95 HB2 LYS 12 1HB LYS 12 -11.517 -0.426 -11.612 96 HB3 LYS 12 2HB LYS 12 -9.872 0.196 -11.748 97 HG2 LYS 12 1HG LYS 12 -10.035 0.256 -14.172 98 HG3 LYS 12 2HG LYS 12 -11.609 -0.536 -14.122 99 HD2 LYS 12 1HD LYS 12 -12.037 1.809 -14.417 100 HD3 LYS 12 2HD LYS 12 -12.444 1.424 -12.746 101 HE2 LYS 12 1HE LYS 12 -10.463 2.433 -11.915 102 HE3 LYS 12 2HE LYS 12 -9.706 2.455 -13.508 103 HZ1 LYS 12 3HZ LYS 12 -10.432 4.622 -13.190 104 HZ2 LYS 12 1HZ LYS 12 -11.898 4.144 -12.482 105 HZ3 LYS 12 2HZ LYS 12 -11.656 3.942 -14.151 106 H LYS 13 H LYS 13 -7.800 -1.290 -11.409 107 HA LYS 13 HA LYS 13 -6.396 -0.855 -13.880 108 HB2 LYS 13 1HB LYS 13 -5.860 0.057 -11.526 109 HB3 LYS 13 2HB LYS 13 -5.072 -1.493 -11.248 110 HG2 LYS 13 1HG LYS 13 -3.280 -0.242 -12.063 111 HG3 LYS 13 2HG LYS 13 -3.876 -0.963 -13.557 112 HD2 LYS 13 1HD LYS 13 -5.169 1.081 -14.041 113 HD3 LYS 13 2HD LYS 13 -4.622 1.794 -12.524 114 HE2 LYS 13 1HE LYS 13 -2.287 1.657 -13.302 115 HE3 LYS 13 2HE LYS 13 -2.833 0.945 -14.819 116 HZ1 LYS 13 3HZ LYS 13 -4.240 2.990 -15.084 117 HZ2 LYS 13 1HZ LYS 13 -2.568 3.232 -15.221 118 HZ3 LYS 13 2HZ LYS 13 -3.372 3.669 -13.791 119 H TYR 14 H TYR 14 -6.310 -3.621 -11.580 120 HA TYR 14 HA TYR 14 -4.887 -5.199 -13.718 121 HB2 TYR 14 1HB TYR 14 -4.749 -5.549 -10.713 122 HB3 TYR 14 2HB TYR 14 -3.842 -6.466 -11.915 123 HD1 TYR 14 HD2 TYR 14 -2.129 -5.306 -13.341 124 HD2 TYR 14 HD1 TYR 14 -4.072 -3.355 -10.042 125 HE1 TYR 14 HE2 TYR 14 -0.371 -3.556 -13.338 126 HE2 TYR 14 HE1 TYR 14 -2.313 -1.606 -10.038 127 HH TYR 14 HH TYR 14 0.189 -1.518 -10.833 128 H ASP 15 H ASP 15 -7.682 -5.090 -11.657 129 HA ASP 15 HA ASP 15 -9.475 -6.597 -11.441 130 HB2 ASP 15 1HB ASP 15 -9.152 -6.558 -14.015 131 HB3 ASP 15 2HB ASP 15 -8.349 -8.111 -13.801 132 H THR 16 H THR 16 -7.208 -7.071 -9.865 133 HA THR 16 HA THR 16 -6.945 -10.061 -9.858 134 HB THR 16 HB THR 16 -4.828 -8.713 -9.979 135 HG1 THR 16 HG1 THR 16 -4.502 -10.628 -9.057 136 HG21 THR 16 3HG2 THR 16 -5.774 -6.827 -8.574 137 HG22 THR 16 1HG2 THR 16 -4.150 -7.351 -8.127 138 HG23 THR 16 2HG2 THR 16 -5.537 -7.861 -7.166 139 H LYS 17 H LYS 17 -7.741 -11.179 -8.102 140 HA LYS 17 HA LYS 17 -9.288 -9.629 -6.124 141 HB2 LYS 17 1HB LYS 17 -9.135 -12.637 -6.282 142 HB3 LYS 17 2HB LYS 17 -10.444 -11.637 -5.650 143 HG2 LYS 17 1HG LYS 17 -10.708 -10.704 -8.001 144 HG3 LYS 17 2HG LYS 17 -9.611 -11.978 -8.538 145 HD2 LYS 17 1HD LYS 17 -11.118 -13.696 -7.725 146 HD3 LYS 17 2HD LYS 17 -12.171 -12.483 -6.997 147 HE2 LYS 17 1HE LYS 17 -11.559 -12.570 -9.960 148 HE3 LYS 17 2HE LYS 17 -12.959 -13.366 -9.241 149 HZ1 LYS 17 3HZ LYS 17 -13.008 -10.869 -10.112 150 HZ2 LYS 17 1HZ LYS 17 -12.529 -10.583 -8.510 151 HZ3 LYS 17 2HZ LYS 17 -13.976 -11.415 -8.827 152 HA PRO 18 HA PRO 18 -6.381 -10.032 -2.766 153 HB2 PRO 18 1HB PRO 18 -8.539 -11.223 -1.062 154 HB3 PRO 18 2HB PRO 18 -7.522 -9.800 -0.759 155 HG2 PRO 18 1HG PRO 18 -10.081 -9.549 -1.449 156 HG3 PRO 18 2HG PRO 18 -8.850 -8.419 -2.044 157 HD2 PRO 18 1HD PRO 18 -10.204 -10.669 -3.501 158 HD3 PRO 18 2HD PRO 18 -9.697 -9.073 -4.091 159 H ASP 19 H ASP 19 -4.960 -11.574 -1.947 160 HA ASP 19 HA ASP 19 -5.771 -14.459 -2.058 161 HB2 ASP 19 1HB ASP 19 -3.245 -13.182 -3.148 162 HB3 ASP 19 2HB ASP 19 -3.403 -14.914 -2.853 163 H HIS 20 H HIS 20 -5.127 -15.599 -0.244 164 HA HIS 20 HA HIS 20 -3.108 -14.324 1.576 165 HB2 HIS 20 1HB HIS 20 -4.587 -15.212 3.477 166 HB3 HIS 20 2HB HIS 20 -5.168 -13.781 2.627 167 HD1 HIS 20 HD1 HIS 20 -5.492 -16.887 0.684 168 HD2 HIS 20 HD2 HIS 20 -7.839 -14.762 3.396 169 HE1 HIS 20 HE1 HIS 20 -7.848 -17.786 0.451 170 HA PRO 21 HA PRO 21 -1.965 -18.725 0.581 171 HB2 PRO 21 1HB PRO 21 0.675 -17.551 1.393 172 HB3 PRO 21 2HB PRO 21 0.280 -18.580 -0.001 173 HG2 PRO 21 1HG PRO 21 0.733 -15.985 -0.320 174 HG3 PRO 21 2HG PRO 21 -0.543 -16.804 -1.243 175 HD2 PRO 21 1HD PRO 21 -0.810 -15.011 1.156 176 HD3 PRO 21 2HD PRO 21 -1.841 -15.118 -0.290 177 H TRP 22 H TRP 22 -1.091 -16.635 3.291 178 HA TRP 22 HA TRP 22 -0.563 -18.915 5.072 179 HB2 TRP 22 1HB TRP 22 -0.773 -15.962 5.731 180 HB3 TRP 22 2HB TRP 22 -0.039 -17.221 6.724 181 HD1 TRP 22 HD1 TRP 22 1.835 -18.735 4.997 182 HE1 TRP 22 HE1 TRP 22 3.815 -17.662 3.742 183 HE3 TRP 22 HE3 TRP 22 0.260 -13.876 4.846 184 HZ2 TRP 22 HZ2 TRP 22 4.623 -15.088 2.799 185 HZ3 TRP 22 HZ3 TRP 22 1.654 -12.137 3.761 186 HH2 TRP 22 HH2 TRP 22 3.832 -12.737 2.739 187 H GLU 23 H GLU 23 -2.311 -20.012 5.781 188 HA GLU 23 HA GLU 23 -4.968 -18.910 5.917 189 HB2 GLU 23 1HB GLU 23 -5.543 -21.027 7.040 190 HB3 GLU 23 2HB GLU 23 -4.534 -21.323 5.624 191 HG2 GLU 23 1HG GLU 23 -2.532 -21.409 7.116 192 HG3 GLU 23 2HG GLU 23 -3.599 -21.235 8.509 193 H LYS 24 H LYS 24 -2.341 -19.209 8.230 194 HA LYS 24 HA LYS 24 -3.889 -18.698 10.595 195 HB2 LYS 24 1HB LYS 24 -0.957 -18.244 9.970 196 HB3 LYS 24 2HB LYS 24 -1.661 -18.060 11.579 197 HG2 LYS 24 1HG LYS 24 -2.378 -20.389 11.582 198 HG3 LYS 24 2HG LYS 24 -1.818 -20.595 9.923 199 HD2 LYS 24 1HD LYS 24 -0.137 -21.502 11.425 200 HD3 LYS 24 2HD LYS 24 0.500 -20.037 10.680 201 HE2 LYS 24 1HE LYS 24 -0.934 -19.808 13.315 202 HE3 LYS 24 2HE LYS 24 0.725 -20.402 13.291 203 HZ1 LYS 24 3HZ LYS 24 0.000 -17.800 13.276 204 HZ2 LYS 24 1HZ LYS 24 0.311 -18.092 11.635 205 HZ3 LYS 24 2HZ LYS 24 1.515 -18.397 12.794 206 H PHE 25 H PHE 25 -3.320 -16.732 7.969 207 HA PHE 25 HA PHE 25 -3.872 -14.267 9.584 208 HB2 PHE 25 1HB PHE 25 -1.896 -14.614 7.317 209 HB3 PHE 25 2HB PHE 25 -2.471 -13.039 7.866 210 HD1 PHE 25 HD1 PHE 25 -2.040 -12.288 10.209 211 HD2 PHE 25 HD2 PHE 25 -0.314 -15.878 8.609 212 HE1 PHE 25 HE1 PHE 25 -0.401 -12.330 12.069 213 HE2 PHE 25 HE2 PHE 25 1.327 -15.921 10.467 214 HZ PHE 25 HZ PHE 25 1.283 -14.146 12.198 215 HA PRO 26 HA PRO 26 -6.864 -15.022 6.055 216 HB2 PRO 26 1HB PRO 26 -9.177 -14.787 7.522 217 HB3 PRO 26 2HB PRO 26 -8.302 -16.318 7.320 218 HG2 PRO 26 1HG PRO 26 -8.303 -14.434 9.630 219 HG3 PRO 26 2HG PRO 26 -8.282 -16.206 9.620 220 HD2 PRO 26 1HD PRO 26 -6.043 -14.673 10.053 221 HD3 PRO 26 2HD PRO 26 -5.979 -16.307 9.363 222 H ASP 27 H ASP 27 -6.361 -12.555 8.401 223 HA ASP 27 HA ASP 27 -8.158 -10.616 7.081 224 HB2 ASP 27 1HB ASP 27 -7.203 -9.045 8.799 225 HB3 ASP 27 2HB ASP 27 -7.973 -10.471 9.496 226 H TYR 28 H TYR 28 -5.202 -11.884 6.375 227 HA TYR 28 HA TYR 28 -3.949 -9.338 5.506 228 HB2 TYR 28 1HB TYR 28 -3.040 -12.193 5.769 229 HB3 TYR 28 2HB TYR 28 -2.195 -11.155 4.626 230 HD1 TYR 28 HD1 TYR 28 -3.753 -10.075 7.846 231 HD2 TYR 28 HD2 TYR 28 -0.104 -10.885 5.727 232 HE1 TYR 28 HE1 TYR 28 -2.457 -9.043 9.685 233 HE2 TYR 28 HE2 TYR 28 1.193 -9.854 7.571 234 HH TYR 28 HH TYR 28 0.674 -8.074 9.404 235 H ALA 29 H ALA 29 -3.800 -8.722 3.386 236 HA ALA 29 HA ALA 29 -5.082 -10.489 1.320 237 HB1 ALA 29 3HB ALA 29 -6.578 -8.653 1.666 238 HB2 ALA 29 1HB ALA 29 -5.667 -8.255 0.209 239 HB3 ALA 29 2HB ALA 29 -5.249 -7.495 1.745 240 H VAL 30 H VAL 30 -3.490 -11.174 -0.020 241 HA VAL 30 HA VAL 30 -1.120 -9.403 -0.499 242 HB VAL 30 HB VAL 30 -1.474 -12.318 -1.252 243 HG11 VAL 30 1HG1 VAL 30 1.019 -10.645 -0.820 244 HG12 VAL 30 2HG1 VAL 30 0.305 -10.970 -2.401 245 HG13 VAL 30 3HG1 VAL 30 0.946 -12.298 -1.433 246 HG21 VAL 30 3HG2 VAL 30 -1.700 -12.245 1.135 247 HG22 VAL 30 1HG2 VAL 30 -0.408 -11.055 1.285 248 HG23 VAL 30 2HG2 VAL 30 -0.030 -12.709 0.809 249 H PHE 31 H PHE 31 -0.957 -8.418 -2.456 250 HA PHE 31 HA PHE 31 -2.748 -9.337 -4.684 251 HB2 PHE 31 1HB PHE 31 -1.547 -6.610 -4.117 252 HB3 PHE 31 2HB PHE 31 -2.496 -7.013 -5.547 253 HD1 PHE 31 HD2 PHE 31 -4.807 -8.271 -4.984 254 HD2 PHE 31 HD1 PHE 31 -2.695 -5.651 -2.313 255 HE1 PHE 31 HE2 PHE 31 -6.901 -7.866 -3.724 256 HE2 PHE 31 HE1 PHE 31 -4.793 -5.248 -1.054 257 HZ PHE 31 HZ PHE 31 -6.896 -6.356 -1.759 258 H ARG 32 H ARG 32 -1.786 -9.979 -6.566 259 HA ARG 32 HA ARG 32 1.041 -9.227 -7.096 260 HB2 ARG 32 1HB ARG 32 1.663 -11.578 -7.526 261 HB3 ARG 32 2HB ARG 32 1.155 -11.361 -5.851 262 HG2 ARG 32 1HG ARG 32 -1.115 -12.173 -6.456 263 HG3 ARG 32 2HG ARG 32 -0.557 -12.454 -8.105 264 HD2 ARG 32 1HD ARG 32 1.162 -14.017 -7.248 265 HD3 ARG 32 2HD ARG 32 0.562 -13.760 -5.609 266 HE ARG 32 HE ARG 32 -1.519 -14.639 -7.454 267 HH11 ARG 32 1HH2 ARG 32 1.070 -15.526 -5.364 268 HH12 ARG 32 2HH2 ARG 32 0.464 -17.122 -5.069 269 HH21 ARG 32 1HH1 ARG 32 -2.328 -16.717 -7.083 270 HH22 ARG 32 2HH1 ARG 32 -1.461 -17.797 -6.043 271 H HIS 33 H HIS 33 1.582 -9.385 -9.326 272 HA HIS 33 HA HIS 33 -0.789 -9.458 -11.135 273 HB2 HIS 33 1HB HIS 33 2.026 -8.415 -11.539 274 HB3 HIS 33 2HB HIS 33 0.732 -8.328 -12.736 275 HD1 HIS 33 HD1 HIS 33 1.842 -5.685 -11.810 276 HD2 HIS 33 HD2 HIS 33 -1.292 -7.584 -9.823 277 HE1 HIS 33 HE1 HIS 33 0.623 -3.886 -10.509 278 H SER 34 H SER 34 -0.514 -10.521 -13.260 279 HA SER 34 HA SER 34 1.112 -13.019 -13.017 280 HB2 SER 34 1HB SER 34 -1.301 -13.317 -13.384 281 HB3 SER 34 2HB SER 34 -1.215 -12.323 -14.836 282 HG SER 34 HG SER 34 -1.096 -14.666 -15.145 283 H ASP 35 H ASP 35 0.214 -10.567 -15.474 284 HA ASP 35 HA ASP 35 2.557 -11.396 -17.108 285 HB2 ASP 35 1HB ASP 35 0.233 -9.535 -17.661 286 HB3 ASP 35 2HB ASP 35 1.543 -9.850 -18.800 287 H ASN 36 H ASN 36 2.024 -9.237 -14.638 288 HA ASN 36 HA ASN 36 3.857 -7.169 -15.792 289 HB2 ASN 36 1HB ASN 36 1.530 -6.659 -14.623 290 HB3 ASN 36 2HB ASN 36 2.473 -6.821 -13.145 291 HD21 ASN 36 2HD2 ASN 36 4.928 -5.786 -14.725 292 HD22 ASN 36 1HD2 ASN 36 4.693 -4.106 -14.772 293 H ASP 37 H ASP 37 4.719 -9.808 -14.890 294 HA ASP 37 HA ASP 37 6.450 -10.756 -13.647 295 HB2 ASP 37 1HB ASP 37 7.185 -7.826 -13.399 296 HB3 ASP 37 2HB ASP 37 8.184 -9.125 -12.759 297 H LYS 38 H LYS 38 3.979 -10.430 -12.326 298 HA LYS 38 HA LYS 38 3.001 -10.056 -10.191 299 HB2 LYS 38 1HB LYS 38 4.258 -11.606 -8.532 300 HB3 LYS 38 2HB LYS 38 3.571 -12.320 -9.990 301 HG2 LYS 38 1HG LYS 38 5.745 -12.224 -11.107 302 HG3 LYS 38 2HG LYS 38 6.451 -11.416 -9.709 303 HD2 LYS 38 1HD LYS 38 7.074 -13.634 -9.329 304 HD3 LYS 38 2HD LYS 38 5.584 -13.528 -8.395 305 HE2 LYS 38 1HE LYS 38 5.640 -15.576 -9.791 306 HE3 LYS 38 2HE LYS 38 4.323 -14.508 -10.273 307 HZ1 LYS 38 3HZ LYS 38 6.793 -13.956 -11.631 308 HZ2 LYS 38 1HZ LYS 38 5.234 -14.176 -12.264 309 HZ3 LYS 38 2HZ LYS 38 6.211 -15.525 -11.927 310 H TRP 39 H TRP 39 3.582 -7.755 -10.099 311 HA TRP 39 HA TRP 39 5.917 -6.721 -8.910 312 HB2 TRP 39 1HB TRP 39 4.686 -4.701 -8.563 313 HB3 TRP 39 2HB TRP 39 4.034 -5.424 -10.028 314 HD1 TRP 39 HD1 TRP 39 2.284 -7.660 -8.301 315 HE1 TRP 39 HE1 TRP 39 0.079 -6.851 -7.260 316 HE3 TRP 39 HE3 TRP 39 3.123 -2.624 -8.269 317 HZ2 TRP 39 HZ2 TRP 39 -1.174 -4.394 -6.509 318 HZ3 TRP 39 HZ3 TRP 39 1.407 -1.073 -7.383 319 HH2 TRP 39 HH2 TRP 39 -0.740 -1.949 -6.504 320 H TYR 40 H TYR 40 5.333 -5.332 -6.661 321 HA TYR 40 HA TYR 40 4.757 -7.461 -4.620 322 HB2 TYR 40 1HB TYR 40 7.093 -6.696 -4.606 323 HB3 TYR 40 2HB TYR 40 6.555 -5.021 -4.467 324 HD1 TYR 40 HD2 TYR 40 5.967 -8.330 -2.790 325 HD2 TYR 40 HD1 TYR 40 6.510 -4.095 -2.317 326 HE1 TYR 40 HE2 TYR 40 5.844 -8.588 -0.328 327 HE2 TYR 40 HE1 TYR 40 6.388 -4.355 0.145 328 HH TYR 40 HH TYR 40 5.879 -5.766 1.819 329 H ALA 41 H ALA 41 2.924 -7.092 -3.503 330 HA ALA 41 HA ALA 41 2.226 -4.376 -2.637 331 HB1 ALA 41 3HB ALA 41 1.060 -4.201 -4.659 332 HB2 ALA 41 1HB ALA 41 -0.183 -4.792 -3.561 333 HB3 ALA 41 2HB ALA 41 0.618 -5.908 -4.670 334 H LEU 42 H LEU 42 1.378 -4.521 -0.613 335 HA LEU 42 HA LEU 42 -0.082 -6.994 0.173 336 HB2 LEU 42 1HB LEU 42 2.203 -7.406 0.902 337 HB3 LEU 42 2HB LEU 42 2.290 -5.813 1.645 338 HG LEU 42 HG LEU 42 0.610 -6.421 3.288 339 HD11 LEU 42 1HD1 LEU 42 -0.089 -8.941 3.270 340 HD12 LEU 42 2HD1 LEU 42 0.347 -8.876 1.561 341 HD13 LEU 42 3HD1 LEU 42 -0.918 -7.823 2.190 342 HD21 LEU 42 3HD2 LEU 42 2.580 -8.706 3.019 343 HD22 LEU 42 1HD2 LEU 42 1.856 -8.098 4.509 344 HD23 LEU 42 2HD2 LEU 42 3.014 -7.106 3.622 345 H LEU 43 H LEU 43 -1.887 -6.485 1.264 346 HA LEU 43 HA LEU 43 -2.089 -3.780 2.556 347 HB2 LEU 43 1HB LEU 43 -3.455 -4.056 0.458 348 HB3 LEU 43 2HB LEU 43 -4.327 -5.361 1.250 349 HG LEU 43 HG LEU 43 -4.106 -2.631 2.544 350 HD11 LEU 43 1HD1 LEU 43 -6.404 -2.208 1.520 351 HD12 LEU 43 2HD1 LEU 43 -6.043 -3.524 0.404 352 HD13 LEU 43 3HD1 LEU 43 -5.028 -2.082 0.429 353 HD21 LEU 43 3HD2 LEU 43 -6.529 -3.535 3.271 354 HD22 LEU 43 1HD2 LEU 43 -5.072 -4.015 4.131 355 HD23 LEU 43 2HD2 LEU 43 -5.784 -5.096 2.937 356 H MET 44 H MET 44 -2.471 -3.917 4.713 357 HA MET 44 HA MET 44 -4.200 -6.027 5.778 358 HB2 MET 44 1HB MET 44 -2.304 -6.693 7.458 359 HB3 MET 44 2HB MET 44 -2.305 -7.413 5.850 360 HG2 MET 44 1HG MET 44 -0.687 -5.710 5.086 361 HG3 MET 44 2HG MET 44 -0.679 -5.000 6.700 362 HE1 MET 44 3HE MET 44 1.989 -5.299 6.939 363 HE2 MET 44 1HE MET 44 1.783 -5.719 5.233 364 HE3 MET 44 2HE MET 44 2.786 -6.724 6.279 365 H ASP 45 H ASP 45 -4.692 -5.666 8.048 366 HA ASP 45 HA ASP 45 -4.396 -2.802 8.791 367 HB2 ASP 45 1HB ASP 45 -6.657 -3.976 8.748 368 HB3 ASP 45 2HB ASP 45 -6.102 -4.898 10.147 369 H ILE 46 H ILE 46 -2.671 -2.359 10.068 370 HA ILE 46 HA ILE 46 -1.877 -4.382 12.131 371 HB ILE 46 HB ILE 46 0.378 -3.227 12.038 372 HG12 ILE 46 1HG1 ILE 46 -0.668 -2.148 9.410 373 HG13 ILE 46 2HG1 ILE 46 -0.579 -1.172 10.878 374 HG21 ILE 46 1HG2 ILE 46 -0.518 -4.472 9.427 375 HG22 ILE 46 2HG2 ILE 46 -0.182 -5.400 10.889 376 HG23 ILE 46 3HG2 ILE 46 1.107 -4.482 10.113 377 HD11 ILE 46 3HD1 ILE 46 1.732 -2.541 9.473 378 HD12 ILE 46 1HD1 ILE 46 1.862 -1.728 11.032 379 HD13 ILE 46 2HD1 ILE 46 1.451 -0.806 9.590 380 HA PRO 47 HA PRO 47 -3.087 -1.493 15.314 381 HB2 PRO 47 1HB PRO 47 -0.424 -2.007 16.586 382 HB3 PRO 47 2HB PRO 47 -2.050 -2.126 17.287 383 HG2 PRO 47 1HG PRO 47 -0.592 -4.291 16.571 384 HG3 PRO 47 2HG PRO 47 -2.362 -4.260 16.535 385 HD2 PRO 47 1HD PRO 47 -0.457 -4.264 14.261 386 HD3 PRO 47 2HD PRO 47 -2.173 -4.723 14.307 387 H ALA 48 H ALA 48 -2.793 0.699 15.724 388 HA ALA 48 HA ALA 48 -1.105 2.231 14.014 389 HB1 ALA 48 3HB ALA 48 -2.756 2.835 16.452 390 HB2 ALA 48 1HB ALA 48 -2.949 3.429 14.805 391 HB3 ALA 48 2HB ALA 48 -1.666 4.076 15.828 392 H GLU 49 H GLU 49 -0.501 0.712 17.077 393 HA GLU 49 HA GLU 49 1.693 2.388 17.906 394 HB2 GLU 49 1HB GLU 49 1.046 -0.496 18.586 395 HB3 GLU 49 2HB GLU 49 2.245 0.492 19.419 396 HG2 GLU 49 1HG GLU 49 -0.688 1.204 19.183 397 HG3 GLU 49 2HG GLU 49 0.039 0.441 20.597 398 H LYS 50 H LYS 50 1.403 -0.044 15.482 399 HA LYS 50 HA LYS 50 4.242 -0.788 15.518 400 HB2 LYS 50 1HB LYS 50 2.061 -1.384 13.497 401 HB3 LYS 50 2HB LYS 50 3.654 -2.138 13.536 402 HG2 LYS 50 1HG LYS 50 1.823 -2.247 15.933 403 HG3 LYS 50 2HG LYS 50 1.683 -3.418 14.627 404 HD2 LYS 50 1HD LYS 50 4.062 -4.036 14.934 405 HD3 LYS 50 2HD LYS 50 4.183 -2.895 16.269 406 HE2 LYS 50 1HE LYS 50 2.452 -4.112 17.504 407 HE3 LYS 50 2HE LYS 50 2.281 -5.247 16.165 408 HZ1 LYS 50 3HZ LYS 50 4.988 -4.899 17.105 409 HZ2 LYS 50 1HZ LYS 50 4.143 -6.321 16.734 410 HZ3 LYS 50 2HZ LYS 50 3.937 -5.584 18.251 411 H ILE 51 H ILE 51 2.468 1.803 14.190 412 HA ILE 51 HA ILE 51 4.487 2.215 12.018 413 HB ILE 51 HB ILE 51 2.891 4.101 11.364 414 HG12 ILE 51 1HG1 ILE 51 1.061 2.597 13.248 415 HG13 ILE 51 2HG1 ILE 51 1.766 4.172 13.613 416 HG21 ILE 51 1HG2 ILE 51 1.862 1.246 11.397 417 HG22 ILE 51 2HG2 ILE 51 2.975 1.921 10.208 418 HG23 ILE 51 3HG2 ILE 51 1.317 2.515 10.302 419 HD11 ILE 51 3HD1 ILE 51 0.045 3.608 11.179 420 HD12 ILE 51 1HD1 ILE 51 0.626 5.180 11.723 421 HD13 ILE 51 2HD1 ILE 51 -0.567 4.299 12.677 422 H GLY 52 H GLY 52 4.294 2.850 15.187 423 HA2 GLY 52 1HA GLY 52 5.917 4.223 16.321 424 HA3 GLY 52 2HA GLY 52 5.996 5.274 14.911 425 H ILE 53 H ILE 53 2.804 4.962 15.150 426 HA ILE 53 HA ILE 53 2.549 7.493 16.615 427 HB ILE 53 HB ILE 53 0.403 5.735 15.378 428 HG12 ILE 53 1HG1 ILE 53 1.854 8.188 14.326 429 HG13 ILE 53 2HG1 ILE 53 2.090 6.538 13.752 430 HG21 ILE 53 1HG2 ILE 53 0.350 8.662 16.196 431 HG22 ILE 53 2HG2 ILE 53 -0.409 7.362 17.108 432 HG23 ILE 53 3HG2 ILE 53 -0.986 7.753 15.494 433 HD11 ILE 53 3HD1 ILE 53 -0.350 8.287 13.470 434 HD12 ILE 53 1HD1 ILE 53 -0.456 6.537 13.298 435 HD13 ILE 53 2HD1 ILE 53 0.564 7.469 12.204 436 H ASN 54 H ASN 54 1.902 7.716 18.681 437 HA ASN 54 HA ASN 54 1.797 5.466 20.464 438 HB2 ASN 54 1HB ASN 54 2.494 7.763 21.132 439 HB3 ASN 54 2HB ASN 54 0.830 8.304 20.914 440 HD21 ASN 54 2HD2 ASN 54 2.733 5.858 22.762 441 HD22 ASN 54 1HD2 ASN 54 1.707 5.872 24.114 442 H GLY 55 H GLY 55 -0.362 5.973 18.198 443 HA2 GLY 55 1HA GLY 55 -2.837 6.000 19.770 444 HA3 GLY 55 2HA GLY 55 -2.721 5.848 18.018 445 H ASP 56 H ASP 56 -4.131 4.232 20.196 446 HA ASP 56 HA ASP 56 -2.929 1.549 19.684 447 HB2 ASP 56 1HB ASP 56 -4.554 0.799 21.446 448 HB3 ASP 56 2HB ASP 56 -3.398 1.997 22.029 449 H LYS 57 H LYS 57 -4.872 3.491 18.089 450 HA LYS 57 HA LYS 57 -7.130 1.679 17.611 451 HB2 LYS 57 1HB LYS 57 -7.414 4.144 17.536 452 HB3 LYS 57 2HB LYS 57 -6.308 4.213 16.161 453 HG2 LYS 57 1HG LYS 57 -7.798 2.790 14.852 454 HG3 LYS 57 2HG LYS 57 -8.884 2.627 16.231 455 HD2 LYS 57 1HD LYS 57 -9.285 5.065 16.204 456 HD3 LYS 57 2HD LYS 57 -8.198 5.228 14.824 457 HE2 LYS 57 1HE LYS 57 -10.512 5.166 14.036 458 HE3 LYS 57 2HE LYS 57 -9.673 3.703 13.520 459 HZ1 LYS 57 3HZ LYS 57 -11.060 3.652 16.095 460 HZ2 LYS 57 1HZ LYS 57 -10.836 2.411 14.960 461 HZ3 LYS 57 2HZ LYS 57 -12.009 3.609 14.685 462 H ARG 58 H ARG 58 -7.378 0.371 15.803 463 HA ARG 58 HA ARG 58 -4.972 -0.456 14.419 464 HB2 ARG 58 1HB ARG 58 -7.893 -1.133 13.981 465 HB3 ARG 58 2HB ARG 58 -6.561 -1.906 13.123 466 HG2 ARG 58 1HG ARG 58 -5.623 -2.711 15.230 467 HG3 ARG 58 2HG ARG 58 -6.878 -1.864 16.138 468 HD2 ARG 58 1HD ARG 58 -7.484 -4.225 15.907 469 HD3 ARG 58 2HD ARG 58 -8.602 -3.229 14.973 470 HE ARG 58 HE ARG 58 -6.424 -4.048 13.298 471 HH11 ARG 58 1HH2 ARG 58 -9.229 -5.184 14.940 472 HH12 ARG 58 2HH2 ARG 58 -9.544 -6.452 13.803 473 HH21 ARG 58 1HH1 ARG 58 -6.816 -5.690 11.802 474 HH22 ARG 58 2HH1 ARG 58 -8.176 -6.739 12.024 475 H VAL 59 H VAL 59 -4.402 -0.103 12.252 476 HA VAL 59 HA VAL 59 -6.084 1.812 10.681 477 HB VAL 59 HB VAL 59 -4.002 3.002 10.008 478 HG11 VAL 59 1HG1 VAL 59 -3.798 4.299 12.053 479 HG12 VAL 59 2HG1 VAL 59 -4.427 2.959 13.011 480 HG13 VAL 59 3HG1 VAL 59 -5.479 3.798 11.871 481 HG21 VAL 59 3HG2 VAL 59 -2.809 1.091 12.029 482 HG22 VAL 59 1HG2 VAL 59 -2.039 2.634 11.676 483 HG23 VAL 59 2HG2 VAL 59 -2.257 1.445 10.393 484 H ASP 60 H ASP 60 -5.523 1.796 8.350 485 HA ASP 60 HA ASP 60 -4.639 -0.931 7.499 486 HB2 ASP 60 1HB ASP 60 -6.276 1.206 6.112 487 HB3 ASP 60 2HB ASP 60 -5.755 -0.291 5.336 488 H VAL 61 H VAL 61 -2.890 -1.195 6.143 489 HA VAL 61 HA VAL 61 -1.545 1.261 5.077 490 HB VAL 61 HB VAL 61 0.638 0.295 5.733 491 HG11 VAL 61 1HG1 VAL 61 0.439 0.708 8.150 492 HG12 VAL 61 2HG1 VAL 61 -1.312 0.543 8.044 493 HG13 VAL 61 3HG1 VAL 61 -0.500 1.885 7.243 494 HG21 VAL 61 3HG2 VAL 61 0.629 -1.614 7.354 495 HG22 VAL 61 1HG2 VAL 61 0.029 -2.073 5.761 496 HG23 VAL 61 2HG2 VAL 61 -1.104 -1.792 7.083 497 H ILE 62 H ILE 62 -0.261 0.869 3.208 498 HA ILE 62 HA ILE 62 -0.514 -1.833 1.959 499 HB ILE 62 HB ILE 62 -0.985 -0.606 -0.235 500 HG12 ILE 62 1HG1 ILE 62 -1.829 1.605 1.661 501 HG13 ILE 62 2HG1 ILE 62 -0.341 1.648 0.714 502 HG21 ILE 62 1HG2 ILE 62 -3.434 -0.317 0.365 503 HG22 ILE 62 2HG2 ILE 62 -2.981 -0.626 2.042 504 HG23 ILE 62 3HG2 ILE 62 -2.732 -1.868 0.817 505 HD11 ILE 62 3HD1 ILE 62 -2.174 2.859 -0.430 506 HD12 ILE 62 1HD1 ILE 62 -3.138 1.382 -0.431 507 HD13 ILE 62 2HD1 ILE 62 -1.645 1.460 -1.366 508 H ASP 63 H ASP 63 1.192 -2.338 0.531 509 HA ASP 63 HA ASP 63 3.678 -0.925 1.057 510 HB2 ASP 63 1HB ASP 63 2.909 -3.264 -0.695 511 HB3 ASP 63 2HB ASP 63 4.534 -2.580 -0.746 512 H LEU 64 H LEU 64 4.860 0.370 -0.379 513 HA LEU 64 HA LEU 64 3.545 1.093 -2.974 514 HB2 LEU 64 1HB LEU 64 3.270 2.729 -0.886 515 HB3 LEU 64 2HB LEU 64 4.914 3.195 -1.299 516 HG LEU 64 HG LEU 64 3.406 4.701 -2.438 517 HD11 LEU 64 1HD1 LEU 64 4.198 2.772 -4.605 518 HD12 LEU 64 2HD1 LEU 64 5.418 3.639 -3.679 519 HD13 LEU 64 3HD1 LEU 64 4.234 4.534 -4.622 520 HD21 LEU 64 3HD2 LEU 64 2.106 2.546 -4.071 521 HD22 LEU 64 1HD2 LEU 64 1.473 4.104 -3.544 522 HD23 LEU 64 2HD2 LEU 64 1.536 2.755 -2.416 523 H LYS 65 H LYS 65 5.009 1.089 -4.646 524 HA LYS 65 HA LYS 65 7.870 0.628 -3.976 525 HB2 LYS 65 1HB LYS 65 6.276 0.305 -6.526 526 HB3 LYS 65 2HB LYS 65 8.014 0.023 -6.411 527 HG2 LYS 65 1HG LYS 65 7.676 -1.725 -4.761 528 HG3 LYS 65 2HG LYS 65 5.949 -1.374 -4.694 529 HD2 LYS 65 1HD LYS 65 6.247 -3.295 -6.124 530 HD3 LYS 65 2HD LYS 65 5.804 -1.924 -7.136 531 HE2 LYS 65 1HE LYS 65 8.720 -2.502 -6.682 532 HE3 LYS 65 2HE LYS 65 7.818 -3.478 -7.839 533 HZ1 LYS 65 3HZ LYS 65 7.251 -0.700 -8.125 534 HZ2 LYS 65 1HZ LYS 65 7.778 -1.820 -9.285 535 HZ3 LYS 65 2HZ LYS 65 8.911 -1.019 -8.304 536 H VAL 66 H VAL 66 9.378 2.185 -4.319 537 HA VAL 66 HA VAL 66 8.789 4.380 -6.258 538 HB VAL 66 HB VAL 66 9.350 6.125 -4.710 539 HG11 VAL 66 1HG1 VAL 66 7.026 4.994 -4.640 540 HG12 VAL 66 2HG1 VAL 66 7.460 6.044 -3.298 541 HG13 VAL 66 3HG1 VAL 66 7.562 4.295 -3.110 542 HG21 VAL 66 3HG2 VAL 66 9.788 5.491 -2.278 543 HG22 VAL 66 1HG2 VAL 66 11.094 5.135 -3.406 544 HG23 VAL 66 2HG2 VAL 66 10.035 3.840 -2.847 545 H GLN 67 H GLN 67 10.765 5.701 -6.700 546 HA GLN 67 HA GLN 67 12.996 3.958 -7.253 547 HB2 GLN 67 1HB GLN 67 12.456 6.911 -7.559 548 HB3 GLN 67 2HB GLN 67 14.082 6.287 -7.838 549 HG2 GLN 67 1HG GLN 67 13.236 4.748 -9.536 550 HG3 GLN 67 2HG GLN 67 11.581 5.265 -9.214 551 HE21 GLN 67 2HE2 GLN 67 13.415 5.567 -11.690 552 HE22 GLN 67 1HE2 GLN 67 13.317 7.219 -12.065 553 HA PRO 68 HA PRO 68 15.304 4.439 -3.486 554 HB2 PRO 68 1HB PRO 68 17.904 4.444 -4.435 555 HB3 PRO 68 2HB PRO 68 16.906 2.981 -4.307 556 HG2 PRO 68 1HG PRO 68 17.457 4.687 -6.699 557 HG3 PRO 68 2HG PRO 68 17.398 2.919 -6.567 558 HD2 PRO 68 1HD PRO 68 15.325 4.337 -7.587 559 HD3 PRO 68 2HD PRO 68 15.065 2.856 -6.638 560 H GLU 69 H GLU 69 15.723 6.709 -6.095 561 HA GLU 69 HA GLU 69 17.226 8.643 -4.456 562 HB2 GLU 69 1HB GLU 69 16.018 8.826 -7.235 563 HB3 GLU 69 2HB GLU 69 16.984 10.095 -6.482 564 HG2 GLU 69 1HG GLU 69 17.945 7.260 -6.948 565 HG3 GLU 69 2HG GLU 69 18.322 8.626 -7.996 566 H LEU 70 H LEU 70 13.923 8.059 -5.503 567 HA LEU 70 HA LEU 70 13.025 10.641 -4.318 568 HB2 LEU 70 1HB LEU 70 11.438 8.512 -5.789 569 HB3 LEU 70 2HB LEU 70 10.870 10.120 -5.344 570 HG LEU 70 HG LEU 70 13.212 9.568 -7.192 571 HD11 LEU 70 1HD1 LEU 70 10.481 10.647 -7.926 572 HD12 LEU 70 2HD1 LEU 70 10.886 8.933 -8.033 573 HD13 LEU 70 3HD1 LEU 70 11.762 10.109 -9.014 574 HD21 LEU 70 3HD2 LEU 70 12.679 12.079 -7.734 575 HD22 LEU 70 1HD2 LEU 70 13.599 11.706 -6.279 576 HD23 LEU 70 2HD2 LEU 70 11.878 12.075 -6.163 577 H VAL 71 H VAL 71 13.856 7.834 -3.033 578 HA VAL 71 HA VAL 71 11.571 6.869 -1.643 579 HB VAL 71 HB VAL 71 13.637 5.584 -1.648 580 HG11 VAL 71 1HG1 VAL 71 15.671 6.337 -0.684 581 HG12 VAL 71 2HG1 VAL 71 14.879 7.667 0.158 582 HG13 VAL 71 3HG1 VAL 71 15.081 7.728 -1.591 583 HG21 VAL 71 3HG2 VAL 71 13.641 4.903 0.634 584 HG22 VAL 71 1HG2 VAL 71 12.033 5.578 0.385 585 HG23 VAL 71 2HG2 VAL 71 13.264 6.529 1.206 586 H GLY 72 H GLY 72 13.971 9.327 -0.650 587 HA2 GLY 72 1HA GLY 72 12.581 9.856 1.846 588 HA3 GLY 72 2HA GLY 72 13.902 10.812 1.180 589 H SER 73 H SER 73 12.080 10.852 -1.394 590 HA SER 73 HA SER 73 11.129 13.495 -1.050 591 HB2 SER 73 1HB SER 73 11.501 12.131 -3.214 592 HB3 SER 73 2HB SER 73 9.860 11.543 -2.966 593 HG SER 73 HG SER 73 10.650 14.272 -3.080 594 H LEU 74 H LEU 74 9.180 10.508 -1.145 595 HA LEU 74 HA LEU 74 6.832 11.924 -0.095 596 HB2 LEU 74 1HB LEU 74 5.667 9.798 -0.379 597 HB3 LEU 74 2HB LEU 74 6.530 10.226 -1.844 598 HG LEU 74 HG LEU 74 7.730 8.385 0.243 599 HD11 LEU 74 1HD1 LEU 74 6.926 6.489 -1.086 600 HD12 LEU 74 2HD1 LEU 74 6.078 7.597 -2.165 601 HD13 LEU 74 3HD1 LEU 74 5.576 7.448 -0.481 602 HD21 LEU 74 3HD2 LEU 74 8.750 7.574 -2.134 603 HD22 LEU 74 1HD2 LEU 74 9.495 8.823 -1.157 604 HD23 LEU 74 2HD2 LEU 74 8.471 9.267 -2.519 605 H ARG 75 H ARG 75 9.406 9.975 1.174 606 HA ARG 75 HA ARG 75 8.155 8.808 3.415 607 HB2 ARG 75 1HB ARG 75 10.645 8.696 2.475 608 HB3 ARG 75 2HB ARG 75 10.940 9.887 3.724 609 HG2 ARG 75 1HG ARG 75 11.270 7.997 5.016 610 HG3 ARG 75 2HG ARG 75 9.524 8.078 5.179 611 HD2 ARG 75 1HD ARG 75 10.922 6.476 3.019 612 HD3 ARG 75 2HD ARG 75 10.403 5.811 4.561 613 HE ARG 75 HE ARG 75 8.109 6.138 3.930 614 HH11 ARG 75 1HH2 ARG 75 10.388 7.165 1.526 615 HH12 ARG 75 2HH2 ARG 75 9.215 7.202 0.257 616 HH21 ARG 75 1HH1 ARG 75 6.589 6.205 2.271 617 HH22 ARG 75 2HH1 ARG 75 7.077 6.666 0.676 618 H LYS 76 H LYS 76 9.569 12.106 3.168 619 HA LYS 76 HA LYS 76 8.907 12.594 5.979 620 HB2 LYS 76 1HB LYS 76 9.986 14.648 5.793 621 HB3 LYS 76 2HB LYS 76 10.838 13.677 4.605 622 HG2 LYS 76 1HG LYS 76 8.555 15.569 3.909 623 HG3 LYS 76 2HG LYS 76 10.255 15.990 3.824 624 HD2 LYS 76 1HD LYS 76 10.651 14.165 2.229 625 HD3 LYS 76 2HD LYS 76 8.945 13.731 2.297 626 HE2 LYS 76 1HE LYS 76 8.310 15.532 0.990 627 HE3 LYS 76 2HE LYS 76 9.546 16.592 1.660 628 HZ1 LYS 76 3HZ LYS 76 9.674 14.785 -0.603 629 HZ2 LYS 76 1HZ LYS 76 11.053 14.824 0.383 630 HZ3 LYS 76 2HZ LYS 76 10.479 16.255 -0.331 631 H LYS 77 H LYS 77 6.931 12.355 3.356 632 HA LYS 77 HA LYS 77 5.250 14.680 3.935 633 HB2 LYS 77 1HB LYS 77 5.011 12.339 2.064 634 HB3 LYS 77 2HB LYS 77 3.645 13.414 2.328 635 HG2 LYS 77 1HG LYS 77 6.333 14.598 1.676 636 HG3 LYS 77 2HG LYS 77 5.368 13.909 0.377 637 HD2 LYS 77 1HD LYS 77 3.477 15.374 1.007 638 HD3 LYS 77 2HD LYS 77 4.451 16.077 2.295 639 HE2 LYS 77 1HE LYS 77 6.007 17.011 0.729 640 HE3 LYS 77 2HE LYS 77 5.299 16.104 -0.608 641 HZ1 LYS 77 3HZ LYS 77 3.374 17.394 -0.558 642 HZ2 LYS 77 1HZ LYS 77 4.625 18.523 -0.359 643 HZ3 LYS 77 2HZ LYS 77 3.711 18.023 0.984 644 HA PRO 78 HA PRO 78 3.221 12.642 7.452 645 HB2 PRO 78 1HB PRO 78 0.902 14.351 6.615 646 HB3 PRO 78 2HB PRO 78 1.636 14.156 8.219 647 HG2 PRO 78 1HG PRO 78 2.059 16.332 6.704 648 HG3 PRO 78 2HG PRO 78 3.298 15.677 7.788 649 HD2 PRO 78 1HD PRO 78 3.180 15.589 4.814 650 HD3 PRO 78 2HD PRO 78 4.585 15.513 5.899 651 H GLY 79 H GLY 79 1.794 10.918 7.691 652 HA2 GLY 79 1HA GLY 79 -0.095 9.551 7.123 653 HA3 GLY 79 2HA GLY 79 -0.167 10.323 5.541 654 H ILE 80 H ILE 80 3.012 9.737 5.887 655 HA ILE 80 HA ILE 80 2.822 6.953 4.783 656 HB ILE 80 HB ILE 80 4.675 9.200 3.976 657 HG12 ILE 80 1HG1 ILE 80 2.532 7.748 2.394 658 HG13 ILE 80 2HG1 ILE 80 2.260 9.287 3.209 659 HG21 ILE 80 1HG2 ILE 80 5.975 7.262 3.689 660 HG22 ILE 80 2HG2 ILE 80 5.185 7.420 2.121 661 HG23 ILE 80 3HG2 ILE 80 4.574 6.261 3.298 662 HD11 ILE 80 3HD1 ILE 80 2.817 9.900 1.004 663 HD12 ILE 80 1HD1 ILE 80 4.088 8.687 0.896 664 HD13 ILE 80 2HD1 ILE 80 4.321 10.123 1.891 665 H TYR 81 H TYR 81 4.024 5.466 5.874 666 HA TYR 81 HA TYR 81 6.195 6.471 7.687 667 HB2 TYR 81 1HB TYR 81 4.072 4.369 8.074 668 HB3 TYR 81 2HB TYR 81 5.591 4.250 8.960 669 HD1 TYR 81 HD1 TYR 81 2.666 6.466 8.303 670 HD2 TYR 81 HD2 TYR 81 6.055 5.664 10.819 671 HE1 TYR 81 HE1 TYR 81 1.859 8.155 9.931 672 HE2 TYR 81 HE2 TYR 81 5.247 7.352 12.446 673 HH TYR 81 HH TYR 81 2.107 8.679 12.310 674 HA PRO 82 HA PRO 82 8.931 3.770 5.485 675 HB2 PRO 82 1HB PRO 82 10.777 3.173 7.414 676 HB3 PRO 82 2HB PRO 82 10.667 4.766 6.639 677 HG2 PRO 82 1HG PRO 82 9.610 3.880 9.287 678 HG3 PRO 82 2HG PRO 82 10.426 5.392 8.847 679 HD2 PRO 82 1HD PRO 82 7.713 5.223 9.112 680 HD3 PRO 82 2HD PRO 82 8.497 6.343 7.975 681 H ALA 83 H ALA 83 9.522 1.509 5.255 682 HA ALA 83 HA ALA 83 7.584 -0.334 6.305 683 HB1 ALA 83 3HB ALA 83 10.256 -0.919 4.993 684 HB2 ALA 83 1HB ALA 83 8.732 -0.681 4.142 685 HB3 ALA 83 2HB ALA 83 8.936 -2.066 5.206 686 H TYR 84 H TYR 84 7.824 -1.970 7.876 687 HA TYR 84 HA TYR 84 9.980 -1.460 9.874 688 HB2 TYR 84 1HB TYR 84 8.386 -3.200 11.163 689 HB3 TYR 84 2HB TYR 84 8.008 -1.481 11.092 690 HD1 TYR 84 HD1 TYR 84 7.186 -4.815 9.701 691 HD2 TYR 84 HD2 TYR 84 6.190 -0.635 9.749 692 HE1 TYR 84 HE1 TYR 84 5.038 -5.311 8.564 693 HE2 TYR 84 HE2 TYR 84 4.045 -1.133 8.610 694 HH TYR 84 HH TYR 84 3.325 -3.378 6.943 695 H HIS 85 H HIS 85 11.714 -2.765 9.808 696 HA HIS 85 HA HIS 85 13.044 -4.680 9.602 697 HB2 HIS 85 1HB HIS 85 10.981 -5.645 10.890 698 HB3 HIS 85 2HB HIS 85 10.551 -6.365 9.341 699 HD1 HIS 85 HD1 HIS 85 13.516 -6.228 11.724 700 HD2 HIS 85 HD2 HIS 85 11.921 -8.714 8.784 701 HE1 HIS 85 HE1 HIS 85 14.922 -8.333 11.728 702 H MET 86 H MET 86 10.327 -4.384 7.374 703 HA MET 86 HA MET 86 11.612 -6.051 5.338 704 HB2 MET 86 1HB MET 86 9.094 -4.370 5.364 705 HB3 MET 86 2HB MET 86 9.623 -5.295 3.957 706 HG2 MET 86 1HG MET 86 9.236 -6.528 6.694 707 HG3 MET 86 2HG MET 86 7.965 -6.481 5.481 708 HE1 MET 86 3HE MET 86 8.777 -8.776 2.809 709 HE2 MET 86 1HE MET 86 9.574 -7.220 2.565 710 HE3 MET 86 2HE MET 86 7.995 -7.293 3.341 711 H ASN 87 H ASN 87 12.116 -5.218 3.182 712 HA ASN 87 HA ASN 87 14.019 -3.264 3.012 713 HB2 ASN 87 1HB ASN 87 13.317 -4.775 1.151 714 HB3 ASN 87 2HB ASN 87 11.925 -3.729 0.876 715 HD21 ASN 87 2HD2 ASN 87 14.022 -4.158 -1.090 716 HD22 ASN 87 1HD2 ASN 87 14.800 -2.670 -1.340 717 H LYS 88 H LYS 88 14.060 -1.151 3.445 718 HA LYS 88 HA LYS 88 11.543 0.421 3.551 719 HB2 LYS 88 1HB LYS 88 13.334 0.405 5.384 720 HB3 LYS 88 2HB LYS 88 14.338 1.330 4.272 721 HG2 LYS 88 1HG LYS 88 12.626 3.080 4.140 722 HG3 LYS 88 2HG LYS 88 11.567 2.148 5.200 723 HD2 LYS 88 1HD LYS 88 14.334 3.136 5.960 724 HD3 LYS 88 2HD LYS 88 12.828 3.926 6.422 725 HE2 LYS 88 1HE LYS 88 13.088 2.611 8.305 726 HE3 LYS 88 2HE LYS 88 12.292 1.404 7.295 727 HZ1 LYS 88 3HZ LYS 88 14.920 1.249 6.584 728 HZ2 LYS 88 1HZ LYS 88 14.100 0.180 7.613 729 HZ3 LYS 88 2HZ LYS 88 14.978 1.479 8.266 730 H GLU 89 H GLU 89 14.217 -0.127 1.474 731 HA GLU 89 HA GLU 89 14.222 2.524 0.244 732 HB2 GLU 89 1HB GLU 89 15.476 -0.114 -0.557 733 HB3 GLU 89 2HB GLU 89 15.707 1.391 -1.448 734 HG2 GLU 89 1HG GLU 89 16.678 2.452 0.528 735 HG3 GLU 89 2HG GLU 89 16.368 1.003 1.486 736 H HIS 90 H HIS 90 13.967 -0.438 -1.653 737 HA HIS 90 HA HIS 90 12.270 0.721 -3.613 738 HB2 HIS 90 1HB HIS 90 12.854 -2.154 -2.877 739 HB3 HIS 90 2HB HIS 90 11.821 -1.724 -4.239 740 HD1 HIS 90 HD1 HIS 90 15.372 -1.225 -2.990 741 HD2 HIS 90 HD2 HIS 90 13.194 -0.939 -6.533 742 HE1 HIS 90 HE1 HIS 90 17.059 -0.826 -4.836 743 H TRP 91 H TRP 91 11.452 -1.374 -0.846 744 HA TRP 91 HA TRP 91 8.548 -0.953 -1.407 745 HB2 TRP 91 1HB TRP 91 9.793 -2.768 0.670 746 HB3 TRP 91 2HB TRP 91 8.157 -2.832 0.020 747 HD1 TRP 91 HD1 TRP 91 9.396 -2.316 -3.066 748 HE1 TRP 91 HE1 TRP 91 10.307 -4.396 -4.277 749 HE3 TRP 91 HE3 TRP 91 10.118 -5.422 0.928 750 HZ2 TRP 91 HZ2 TRP 91 11.223 -7.028 -3.642 751 HZ3 TRP 91 HZ3 TRP 91 11.014 -7.709 0.593 752 HH2 TRP 91 HH2 TRP 91 11.566 -8.515 -1.686 753 H ILE 92 H ILE 92 7.270 0.199 -0.015 754 HA ILE 92 HA ILE 92 8.388 1.018 2.612 755 HB ILE 92 HB ILE 92 7.180 3.049 0.728 756 HG12 ILE 92 1HG1 ILE 92 10.102 2.304 1.125 757 HG13 ILE 92 2HG1 ILE 92 9.170 2.144 -0.360 758 HG21 ILE 92 1HG2 ILE 92 7.303 4.367 2.583 759 HG22 ILE 92 2HG2 ILE 92 9.050 4.164 2.603 760 HG23 ILE 92 3HG2 ILE 92 8.032 3.071 3.507 761 HD11 ILE 92 3HD1 ILE 92 9.967 4.703 1.016 762 HD12 ILE 92 1HD1 ILE 92 8.826 4.628 -0.326 763 HD13 ILE 92 2HD1 ILE 92 10.499 4.115 -0.558 764 H THR 93 H THR 93 6.630 2.113 3.982 765 HA THR 93 HA THR 93 3.998 0.801 3.365 766 HB THR 93 HB THR 93 3.651 1.233 5.889 767 HG1 THR 93 HG1 THR 93 6.001 1.124 6.756 768 HG21 THR 93 3HG2 THR 93 5.766 -0.686 4.877 769 HG22 THR 93 1HG2 THR 93 4.037 -1.001 5.017 770 HG23 THR 93 2HG2 THR 93 5.015 -0.789 6.469 771 H VAL 94 H VAL 94 2.174 2.017 3.249 772 HA VAL 94 HA VAL 94 2.410 4.971 3.712 773 HB VAL 94 HB VAL 94 0.934 3.448 1.549 774 HG11 VAL 94 1HG1 VAL 94 -0.603 5.139 2.213 775 HG12 VAL 94 2HG1 VAL 94 0.263 5.833 0.843 776 HG13 VAL 94 3HG1 VAL 94 0.685 6.312 2.486 777 HG21 VAL 94 3HG2 VAL 94 2.305 4.888 0.071 778 HG22 VAL 94 1HG2 VAL 94 3.320 3.911 1.132 779 HG23 VAL 94 2HG2 VAL 94 3.056 5.618 1.491 780 H LEU 95 H LEU 95 0.866 5.819 5.065 781 HA LEU 95 HA LEU 95 -1.040 3.912 6.281 782 HB2 LEU 95 1HB LEU 95 0.381 5.496 7.651 783 HB3 LEU 95 2HB LEU 95 -0.571 6.817 6.984 784 HG LEU 95 HG LEU 95 -2.638 5.718 7.856 785 HD11 LEU 95 1HD1 LEU 95 -0.605 3.701 8.750 786 HD12 LEU 95 2HD1 LEU 95 -2.267 3.464 8.213 787 HD13 LEU 95 3HD1 LEU 95 -1.943 4.046 9.840 788 HD21 LEU 95 3HD2 LEU 95 -2.291 6.458 10.141 789 HD22 LEU 95 1HD2 LEU 95 -1.363 7.516 9.077 790 HD23 LEU 95 2HD2 LEU 95 -0.546 6.247 9.989 791 H LEU 96 H LEU 96 -2.900 3.667 5.187 792 HA LEU 96 HA LEU 96 -4.045 5.617 3.423 793 HB2 LEU 96 1HB LEU 96 -5.236 3.204 4.820 794 HB3 LEU 96 2HB LEU 96 -6.093 4.143 3.601 795 HG LEU 96 HG LEU 96 -3.374 2.898 3.109 796 HD11 LEU 96 1HD1 LEU 96 -4.633 1.116 1.892 797 HD12 LEU 96 2HD1 LEU 96 -6.135 1.783 2.533 798 HD13 LEU 96 3HD1 LEU 96 -4.933 1.103 3.630 799 HD21 LEU 96 3HD2 LEU 96 -4.389 3.067 0.680 800 HD22 LEU 96 1HD2 LEU 96 -3.711 4.507 1.431 801 HD23 LEU 96 2HD2 LEU 96 -5.457 4.267 1.402 802 H ASN 97 H ASN 97 -4.590 4.794 6.820 803 HA ASN 97 HA ASN 97 -6.799 6.640 7.151 804 HB2 ASN 97 1HB ASN 97 -5.007 5.171 9.093 805 HB3 ASN 97 2HB ASN 97 -6.288 6.261 9.627 806 HD21 ASN 97 2HD2 ASN 97 -5.680 3.033 8.896 807 HD22 ASN 97 1HD2 ASN 97 -7.272 2.532 8.585 808 H GLY 98 H GLY 98 -3.713 7.307 6.413 809 HA2 GLY 98 1HA GLY 98 -2.833 9.194 8.350 810 HA3 GLY 98 2HA GLY 98 -2.354 9.196 6.655 811 HA PRO 99 HA PRO 99 -5.344 12.773 7.698 812 HB2 PRO 99 1HB PRO 99 -3.540 14.831 7.829 813 HB3 PRO 99 2HB PRO 99 -3.982 13.855 9.244 814 HG2 PRO 99 1HG PRO 99 -1.582 13.632 7.474 815 HG3 PRO 99 2HG PRO 99 -1.685 13.546 9.243 816 HD2 PRO 99 1HD PRO 99 -1.505 11.315 7.683 817 HD3 PRO 99 2HD PRO 99 -2.383 11.324 9.230 818 H LEU 100 H LEU 100 -2.798 12.097 5.495 819 HA LEU 100 HA LEU 100 -3.068 14.216 3.633 820 HB2 LEU 100 1HB LEU 100 -2.170 12.501 1.964 821 HB3 LEU 100 2HB LEU 100 -1.185 12.803 3.389 822 HG LEU 100 HG LEU 100 -2.269 10.779 4.467 823 HD11 LEU 100 1HD1 LEU 100 -4.245 10.306 3.342 824 HD12 LEU 100 2HD1 LEU 100 -3.160 9.158 2.570 825 HD13 LEU 100 3HD1 LEU 100 -3.564 10.668 1.756 826 HD21 LEU 100 3HD2 LEU 100 -0.025 10.803 3.253 827 HD22 LEU 100 1HD2 LEU 100 -0.875 10.122 1.865 828 HD23 LEU 100 2HD2 LEU 100 -0.807 9.229 3.384 829 H GLY 101 H GLY 101 -3.969 13.884 1.342 830 HA2 GLY 101 1HA GLY 101 -6.781 12.931 1.613 831 HA3 GLY 101 2HA GLY 101 -6.194 14.073 0.408 832 H ALA 102 H ALA 102 -7.747 12.023 -0.440 833 HA ALA 102 HA ALA 102 -6.366 9.636 -1.226 834 HB1 ALA 102 3HB ALA 102 -8.793 9.713 -1.267 835 HB2 ALA 102 1HB ALA 102 -8.222 9.444 -2.913 836 HB3 ALA 102 2HB ALA 102 -8.772 11.047 -2.420 837 H LYS 103 H LYS 103 -6.733 12.820 -2.718 838 HA LYS 103 HA LYS 103 -5.677 12.188 -5.286 839 HB2 LYS 103 1HB LYS 103 -5.228 14.585 -5.489 840 HB3 LYS 103 2HB LYS 103 -6.786 14.351 -4.697 841 HG2 LYS 103 1HG LYS 103 -5.620 14.595 -2.481 842 HG3 LYS 103 2HG LYS 103 -4.147 15.010 -3.356 843 HD2 LYS 103 1HD LYS 103 -5.269 16.923 -4.395 844 HD3 LYS 103 2HD LYS 103 -6.771 16.506 -3.569 845 HE2 LYS 103 1HE LYS 103 -5.602 18.278 -2.337 846 HE3 LYS 103 2HE LYS 103 -5.632 16.794 -1.384 847 HZ1 LYS 103 3HZ LYS 103 -3.388 16.308 -2.360 848 HZ2 LYS 103 1HZ LYS 103 -3.442 17.613 -1.278 849 HZ3 LYS 103 2HZ LYS 103 -3.375 17.901 -2.951 850 H GLU 104 H GLU 104 -4.105 12.989 -2.219 851 HA GLU 104 HA GLU 104 -1.443 13.222 -3.264 852 HB2 GLU 104 1HB GLU 104 -2.413 12.392 -0.508 853 HB3 GLU 104 2HB GLU 104 -0.745 12.805 -0.902 854 HG2 GLU 104 1HG GLU 104 -3.107 14.666 -1.283 855 HG3 GLU 104 2HG GLU 104 -2.003 14.721 0.089 856 H ILE 105 H ILE 105 -3.250 10.468 -1.884 857 HA ILE 105 HA ILE 105 -1.104 8.581 -2.123 858 HB ILE 105 HB ILE 105 -4.111 8.191 -2.123 859 HG12 ILE 105 1HG1 ILE 105 -2.051 7.619 0.026 860 HG13 ILE 105 2HG1 ILE 105 -2.952 9.131 -0.068 861 HG21 ILE 105 1HG2 ILE 105 -1.832 6.203 -2.142 862 HG22 ILE 105 2HG2 ILE 105 -3.259 6.241 -3.179 863 HG23 ILE 105 3HG2 ILE 105 -3.415 5.792 -1.480 864 HD11 ILE 105 3HD1 ILE 105 -5.021 8.062 0.347 865 HD12 ILE 105 1HD1 ILE 105 -3.906 7.261 1.452 866 HD13 ILE 105 2HD1 ILE 105 -4.379 6.468 -0.049 867 H HIS 106 H HIS 106 -3.768 9.437 -4.331 868 HA HIS 106 HA HIS 106 -3.263 7.514 -6.330 869 HB2 HIS 106 1HB HIS 106 -5.209 9.202 -6.116 870 HB3 HIS 106 2HB HIS 106 -4.143 10.348 -6.931 871 HD1 HIS 106 HD1 HIS 106 -4.780 10.401 -9.351 872 HD2 HIS 106 HD2 HIS 106 -4.899 6.543 -7.786 873 HE1 HIS 106 HE1 HIS 106 -5.374 8.869 -11.282 874 H SER 107 H SER 107 -1.895 10.793 -5.943 875 HA SER 107 HA SER 107 -0.343 10.795 -8.336 876 HB2 SER 107 1HB SER 107 1.028 12.519 -7.169 877 HB3 SER 107 2HB SER 107 -0.700 12.829 -7.018 878 HG SER 107 HG SER 107 1.170 12.026 -5.120 879 H LEU 108 H LEU 108 0.450 9.712 -5.040 880 HA LEU 108 HA LEU 108 3.166 8.998 -5.584 881 HB2 LEU 108 1HB LEU 108 1.183 7.910 -3.567 882 HB3 LEU 108 2HB LEU 108 2.907 7.546 -3.548 883 HG LEU 108 HG LEU 108 1.807 10.373 -3.474 884 HD11 LEU 108 1HD1 LEU 108 2.878 8.846 -1.097 885 HD12 LEU 108 2HD1 LEU 108 1.158 8.889 -1.480 886 HD13 LEU 108 3HD1 LEU 108 2.015 10.384 -1.114 887 HD21 LEU 108 3HD2 LEU 108 4.199 10.651 -2.376 888 HD22 LEU 108 1HD2 LEU 108 4.048 10.553 -4.131 889 HD23 LEU 108 2HD2 LEU 108 4.547 9.135 -3.208 890 H ILE 109 H ILE 109 0.131 7.158 -5.768 891 HA ILE 109 HA ILE 109 1.317 4.648 -6.469 892 HB ILE 109 HB ILE 109 -1.422 5.800 -7.082 893 HG12 ILE 109 1HG1 ILE 109 -0.575 3.692 -5.076 894 HG13 ILE 109 2HG1 ILE 109 -0.725 5.402 -4.672 895 HG21 ILE 109 1HG2 ILE 109 -1.050 4.074 -8.705 896 HG22 ILE 109 2HG2 ILE 109 -1.999 3.333 -7.417 897 HG23 ILE 109 3HG2 ILE 109 -0.264 3.034 -7.517 898 HD11 ILE 109 3HD1 ILE 109 -2.948 3.679 -5.807 899 HD12 ILE 109 1HD1 ILE 109 -3.086 5.376 -5.346 900 HD13 ILE 109 2HD1 ILE 109 -2.790 4.148 -4.114 901 H GLU 110 H GLU 110 0.123 7.357 -8.454 902 HA GLU 110 HA GLU 110 0.417 6.228 -11.010 903 HB2 GLU 110 1HB GLU 110 -0.475 8.520 -10.541 904 HB3 GLU 110 2HB GLU 110 1.171 9.057 -10.205 905 HG2 GLU 110 1HG GLU 110 1.856 8.460 -12.485 906 HG3 GLU 110 2HG GLU 110 0.230 7.869 -12.832 907 H ASP 111 H ASP 111 2.891 7.796 -8.970 908 HA ASP 111 HA ASP 111 5.055 7.522 -10.817 909 HB2 ASP 111 1HB ASP 111 5.171 8.925 -8.771 910 HB3 ASP 111 2HB ASP 111 5.132 7.466 -7.780 911 H SER 112 H SER 112 3.798 5.368 -8.285 912 HA SER 112 HA SER 112 5.767 3.312 -8.558 913 HB2 SER 112 1HB SER 112 3.951 3.612 -6.746 914 HB3 SER 112 2HB SER 112 2.871 2.796 -7.868 915 HG SER 112 HG SER 112 3.779 1.205 -6.662 916 H PHE 113 H PHE 113 2.702 3.908 -10.238 917 HA PHE 113 HA PHE 113 2.491 1.480 -11.654 918 HB2 PHE 113 1HB PHE 113 0.760 3.263 -11.681 919 HB3 PHE 113 2HB PHE 113 1.822 4.258 -12.678 920 HD1 PHE 113 HD1 PHE 113 0.069 0.967 -12.558 921 HD2 PHE 113 HD2 PHE 113 1.919 3.954 -15.029 922 HE1 PHE 113 HE1 PHE 113 -0.747 -0.204 -14.585 923 HE2 PHE 113 HE2 PHE 113 1.103 2.783 -17.057 924 HZ PHE 113 HZ PHE 113 -0.231 0.704 -16.835 925 H GLN 114 H GLN 114 4.324 4.423 -12.455 926 HA GLN 114 HA GLN 114 5.285 3.666 -14.993 927 HB2 GLN 114 1HB GLN 114 6.681 5.221 -12.802 928 HB3 GLN 114 2HB GLN 114 7.230 5.140 -14.477 929 HG2 GLN 114 1HG GLN 114 5.080 6.077 -15.235 930 HG3 GLN 114 2HG GLN 114 4.524 6.158 -13.563 931 HE21 GLN 114 2HE2 GLN 114 4.567 8.343 -13.004 932 HE22 GLN 114 1HE2 GLN 114 5.879 9.385 -13.275 933 H LEU 115 H LEU 115 6.325 2.614 -11.788 934 HA LEU 115 HA LEU 115 8.689 1.213 -12.834 935 HB2 LEU 115 1HB LEU 115 7.380 1.470 -10.125 936 HB3 LEU 115 2HB LEU 115 8.647 0.272 -10.396 937 HG LEU 115 HG LEU 115 10.200 2.011 -11.109 938 HD11 LEU 115 1HD1 LEU 115 7.766 3.778 -10.818 939 HD12 LEU 115 2HD1 LEU 115 8.807 3.581 -12.227 940 HD13 LEU 115 3HD1 LEU 115 9.402 4.438 -10.806 941 HD21 LEU 115 3HD2 LEU 115 10.259 3.354 -8.963 942 HD22 LEU 115 1HD2 LEU 115 10.150 1.610 -8.728 943 HD23 LEU 115 2HD2 LEU 115 8.715 2.617 -8.536 944 H THR 116 H THR 116 5.357 0.544 -12.555 945 HA THR 116 HA THR 116 5.797 -2.413 -12.532 946 HB THR 116 HB THR 116 3.421 -2.593 -12.085 947 HG1 THR 116 HG1 THR 116 2.081 -0.944 -12.339 948 HG21 THR 116 3HG2 THR 116 4.584 -2.214 -10.061 949 HG22 THR 116 1HG2 THR 116 3.271 -1.039 -10.020 950 HG23 THR 116 2HG2 THR 116 4.899 -0.524 -10.452 951 H ARG 117 H ARG 117 6.041 -0.227 -14.806 952 HA ARG 117 HA ARG 117 4.052 -0.932 -16.759 953 HB2 ARG 117 1HB ARG 117 6.783 0.349 -16.965 954 HB3 ARG 117 2HB ARG 117 5.777 0.051 -18.384 955 HG2 ARG 117 1HG ARG 117 3.972 1.390 -17.435 956 HG3 ARG 117 2HG ARG 117 4.889 1.617 -15.949 957 HD2 ARG 117 1HD ARG 117 6.627 2.838 -17.179 958 HD3 ARG 117 2HD ARG 117 5.772 2.560 -18.696 959 HE ARG 117 HE ARG 117 3.962 3.845 -16.935 960 HH11 ARG 117 1HH2 ARG 117 6.961 4.384 -18.543 961 HH12 ARG 117 2HH2 ARG 117 6.730 6.094 -18.686 962 HH21 ARG 117 1HH1 ARG 117 3.640 6.075 -17.114 963 HH22 ARG 117 2HH1 ARG 117 4.849 7.053 -17.877 964 H LEU 118 H LEU 118 4.207 -2.333 -18.531 965 HA LEU 118 HA LEU 118 5.628 -4.796 -18.038 966 HB2 LEU 118 1HB LEU 118 4.225 -3.878 -20.565 967 HB3 LEU 118 2HB LEU 118 4.612 -5.541 -20.126 968 HG LEU 118 HG LEU 118 2.766 -3.699 -18.574 969 HD11 LEU 118 1HD1 LEU 118 1.662 -4.355 -20.594 970 HD12 LEU 118 2HD1 LEU 118 1.041 -5.412 -19.325 971 HD13 LEU 118 3HD1 LEU 118 2.253 -6.012 -20.457 972 HD21 LEU 118 3HD2 LEU 118 3.816 -6.485 -18.099 973 HD22 LEU 118 1HD2 LEU 118 2.207 -6.052 -17.519 974 HD23 LEU 118 2HD2 LEU 118 3.615 -5.158 -16.953 975 H GLU 119 H GLU 119 7.395 -5.659 -19.137 976 HA GLU 119 HA GLU 119 9.359 -3.769 -20.096 977 HB2 GLU 119 1HB GLU 119 9.266 -6.796 -20.080 978 HB3 GLU 119 2HB GLU 119 10.669 -5.869 -20.612 979 HG2 GLU 119 1HG GLU 119 10.845 -4.805 -18.423 980 HG3 GLU 119 2HG GLU 119 9.375 -5.614 -17.882 981 H HIS 120 H HIS 120 10.130 -3.477 -22.211 982 HA HIS 120 HA HIS 120 8.925 -4.974 -24.438 983 HB2 HIS 120 1HB HIS 120 8.160 -2.867 -25.569 984 HB3 HIS 120 2HB HIS 120 7.226 -3.264 -24.126 985 HD1 HIS 120 HD1 HIS 120 7.208 -1.571 -22.261 986 HD2 HIS 120 HD2 HIS 120 10.148 -0.745 -25.098 987 HE1 HIS 120 HE1 HIS 120 8.160 0.698 -21.665 988 H HIS 121 H HIS 121 10.132 -4.703 -26.391 989 HA HIS 121 HA HIS 121 12.831 -3.503 -25.973 990 HB2 HIS 121 1HB HIS 121 11.779 -5.530 -27.960 991 HB3 HIS 121 2HB HIS 121 13.398 -4.837 -28.052 992 HD1 HIS 121 HD1 HIS 121 11.254 -7.075 -25.903 993 HD2 HIS 121 HD2 HIS 121 15.223 -5.822 -26.134 994 HE1 HIS 121 HE1 HIS 121 12.562 -8.541 -24.305 995 H HIS 122 H HIS 122 9.970 -2.542 -27.138 996 HA HIS 122 HA HIS 122 11.048 -1.149 -29.547 997 HB2 HIS 122 1HB HIS 122 8.880 -2.321 -29.777 998 HB3 HIS 122 2HB HIS 122 8.210 -1.321 -28.486 999 HD1 HIS 122 HD1 HIS 122 10.025 -0.742 -31.804 1000 HD2 HIS 122 HD2 HIS 122 6.996 0.941 -29.485 1001 HE1 HIS 122 HE1 HIS 122 9.140 1.241 -33.110 1002 H HIS 123 H HIS 123 11.811 0.870 -29.255 1003 HA HIS 123 HA HIS 123 11.286 2.330 -26.777 1004 HB2 HIS 123 1HB HIS 123 13.503 2.471 -27.737 1005 HB3 HIS 123 2HB HIS 123 12.851 3.007 -29.285 1006 HD1 HIS 123 HD1 HIS 123 13.032 4.173 -25.662 1007 HD2 HIS 123 HD2 HIS 123 12.601 5.758 -29.493 1008 HE1 HIS 123 HE1 HIS 123 13.104 6.692 -25.407 1009 H HIS 124 H HIS 124 9.695 3.832 -26.505 1010 HA HIS 124 HA HIS 124 7.796 4.337 -28.641 1011 HB2 HIS 124 1HB HIS 124 6.598 5.671 -27.002 1012 HB3 HIS 124 2HB HIS 124 7.159 4.191 -26.228 1013 HD1 HIS 124 HD1 HIS 124 6.651 7.198 -24.970 1014 HD2 HIS 124 HD2 HIS 124 10.291 5.268 -25.609 1015 HE1 HIS 124 HE1 HIS 124 8.314 8.258 -23.382 1016 H HIS 125 H HIS 125 7.417 6.289 -29.745 1017 HA HIS 125 HA HIS 125 9.773 7.959 -30.140 1018 HB2 HIS 125 1HB HIS 125 8.390 9.110 -31.827 1019 HB3 HIS 125 2HB HIS 125 8.297 7.361 -32.026 1020 HD1 HIS 125 HD1 HIS 125 6.102 6.205 -30.921 1021 HD2 HIS 125 HD2 HIS 125 5.931 10.338 -31.438 1022 HE1 HIS 125 HE1 HIS 125 3.659 6.848 -30.750 Start of MODEL 9 1 H1 MET 1 1H MET 1 -8.443 6.446 3.676 2 H2 MET 1 2H MET 1 -8.069 7.366 2.297 3 H3 MET 1 3H MET 1 -7.227 5.923 2.614 4 HA MET 1 HA MET 1 -10.047 6.247 1.772 5 HB2 MET 1 1HB MET 1 -8.376 6.204 -0.022 6 HB3 MET 1 2HB MET 1 -7.682 4.722 0.638 7 HG2 MET 1 1HG MET 1 -9.633 3.462 0.139 8 HG3 MET 1 2HG MET 1 -10.591 4.912 -0.163 9 HE1 MET 1 3HE MET 1 -7.171 3.247 -2.710 10 HE2 MET 1 1HE MET 1 -7.512 2.974 -0.995 11 HE3 MET 1 2HE MET 1 -6.805 4.498 -1.526 12 H ASN 2 H ASN 2 -11.197 4.134 1.585 13 HA ASN 2 HA ASN 2 -10.775 2.555 4.036 14 HB2 ASN 2 1HB ASN 2 -12.922 2.573 1.907 15 HB3 ASN 2 2HB ASN 2 -12.910 1.416 3.239 16 HD21 ASN 2 2HD2 ASN 2 -15.000 3.379 2.936 17 HD22 ASN 2 1HD2 ASN 2 -14.895 4.460 4.241 18 H ARG 3 H ARG 3 -10.748 0.197 3.980 19 HA ARG 3 HA ARG 3 -8.802 -0.870 2.172 20 HB2 ARG 3 1HB ARG 3 -9.258 -1.753 4.465 21 HB3 ARG 3 2HB ARG 3 -10.804 -2.370 3.886 22 HG2 ARG 3 1HG ARG 3 -9.591 -3.752 2.203 23 HG3 ARG 3 2HG ARG 3 -8.064 -3.179 2.873 24 HD2 ARG 3 1HD ARG 3 -10.195 -4.617 4.475 25 HD3 ARG 3 2HD ARG 3 -8.767 -5.399 3.796 26 HE ARG 3 HE ARG 3 -7.858 -3.204 5.329 27 HH11 ARG 3 1HH2 ARG 3 -9.570 -6.175 5.689 28 HH12 ARG 3 2HH2 ARG 3 -9.033 -6.441 7.315 29 HH21 ARG 3 1HH1 ARG 3 -7.150 -3.533 7.448 30 HH22 ARG 3 2HH1 ARG 3 -7.664 -4.945 8.309 31 H GLN 4 H GLN 4 -12.345 -1.177 2.309 32 HA GLN 4 HA GLN 4 -12.649 -3.036 0.186 33 HB2 GLN 4 1HB GLN 4 -14.461 -2.306 1.760 34 HB3 GLN 4 2HB GLN 4 -14.523 -0.763 0.912 35 HG2 GLN 4 1HG GLN 4 -16.266 -2.203 0.025 36 HG3 GLN 4 2HG GLN 4 -15.021 -2.010 -1.208 37 HE21 GLN 4 2HE2 GLN 4 -15.174 -4.050 -2.256 38 HE22 GLN 4 1HE2 GLN 4 -14.920 -5.530 -1.463 39 H GLN 5 H GLN 5 -12.506 0.521 0.126 40 HA GLN 5 HA GLN 5 -12.915 0.737 -2.711 41 HB2 GLN 5 1HB GLN 5 -11.623 2.591 -0.700 42 HB3 GLN 5 2HB GLN 5 -11.877 3.026 -2.391 43 HG2 GLN 5 1HG GLN 5 -14.288 2.668 -2.143 44 HG3 GLN 5 2HG GLN 5 -14.057 2.158 -0.470 45 HE21 GLN 5 2HE2 GLN 5 -14.889 4.829 -2.319 46 HE22 GLN 5 1HE2 GLN 5 -14.463 6.054 -1.224 47 H PHE 6 H PHE 6 -10.066 0.206 -0.706 48 HA PHE 6 HA PHE 6 -8.073 0.774 -2.661 49 HB2 PHE 6 1HB PHE 6 -7.657 0.356 -0.219 50 HB3 PHE 6 2HB PHE 6 -7.957 -1.358 -0.509 51 HD1 PHE 6 HD1 PHE 6 -5.914 1.480 -1.848 52 HD2 PHE 6 HD2 PHE 6 -6.133 -2.735 -1.062 53 HE1 PHE 6 HE1 PHE 6 -3.567 1.222 -2.586 54 HE2 PHE 6 HE2 PHE 6 -3.777 -2.993 -1.802 55 HZ PHE 6 HZ PHE 6 -2.491 -1.008 -2.562 56 H ILE 7 H ILE 7 -9.710 -2.315 -1.875 57 HA ILE 7 HA ILE 7 -8.370 -3.838 -3.908 58 HB ILE 7 HB ILE 7 -10.949 -4.205 -2.370 59 HG12 ILE 7 1HG1 ILE 7 -9.630 -6.305 -1.646 60 HG13 ILE 7 2HG1 ILE 7 -8.234 -5.545 -2.394 61 HG21 ILE 7 1HG2 ILE 7 -10.924 -6.569 -3.423 62 HG22 ILE 7 2HG2 ILE 7 -9.914 -5.852 -4.678 63 HG23 ILE 7 3HG2 ILE 7 -11.547 -5.244 -4.407 64 HD11 ILE 7 3HD1 ILE 7 -8.426 -5.080 0.056 65 HD12 ILE 7 1HD1 ILE 7 -9.942 -4.239 -0.261 66 HD13 ILE 7 2HD1 ILE 7 -8.431 -3.620 -0.927 67 H ASP 8 H ASP 8 -11.529 -2.183 -3.880 68 HA ASP 8 HA ASP 8 -12.266 -2.887 -6.546 69 HB2 ASP 8 1HB ASP 8 -13.023 -0.549 -4.782 70 HB3 ASP 8 2HB ASP 8 -13.743 -0.819 -6.370 71 H TYR 9 H TYR 9 -10.522 -0.066 -5.269 72 HA TYR 9 HA TYR 9 -10.266 1.302 -7.768 73 HB2 TYR 9 1HB TYR 9 -9.848 2.425 -5.639 74 HB3 TYR 9 2HB TYR 9 -8.493 1.345 -5.312 75 HD1 TYR 9 HD2 TYR 9 -9.743 3.965 -7.637 76 HD2 TYR 9 HD1 TYR 9 -6.336 1.759 -6.232 77 HE1 TYR 9 HE2 TYR 9 -8.241 5.488 -8.892 78 HE2 TYR 9 HE1 TYR 9 -4.834 3.281 -7.487 79 HH TYR 9 HH TYR 9 -5.712 6.214 -8.607 80 H ALA 10 H ALA 10 -8.123 -1.016 -6.114 81 HA ALA 10 HA ALA 10 -5.973 -0.926 -7.956 82 HB1 ALA 10 3HB ALA 10 -5.261 -3.008 -7.000 83 HB2 ALA 10 1HB ALA 10 -6.905 -3.408 -6.502 84 HB3 ALA 10 2HB ALA 10 -6.034 -2.099 -5.702 85 H GLN 11 H GLN 11 -8.743 -3.205 -7.911 86 HA GLN 11 HA GLN 11 -7.969 -4.448 -10.396 87 HB2 GLN 11 1HB GLN 11 -10.177 -5.513 -10.318 88 HB3 GLN 11 2HB GLN 11 -9.422 -5.563 -8.725 89 HG2 GLN 11 1HG GLN 11 -10.684 -3.473 -8.142 90 HG3 GLN 11 2HG GLN 11 -11.548 -3.622 -9.668 91 HE21 GLN 11 2HE2 GLN 11 -10.600 -6.074 -7.194 92 HE22 GLN 11 1HE2 GLN 11 -12.173 -6.679 -6.989 93 H LYS 12 H LYS 12 -10.198 -1.812 -9.590 94 HA LYS 12 HA LYS 12 -11.395 -1.572 -12.155 95 HB2 LYS 12 1HB LYS 12 -12.163 -0.382 -10.095 96 HB3 LYS 12 2HB LYS 12 -10.750 0.667 -10.215 97 HG2 LYS 12 1HG LYS 12 -11.490 1.443 -12.422 98 HG3 LYS 12 2HG LYS 12 -12.882 0.363 -12.346 99 HD2 LYS 12 1HD LYS 12 -13.695 1.536 -10.339 100 HD3 LYS 12 2HD LYS 12 -12.306 2.621 -10.408 101 HE2 LYS 12 1HE LYS 12 -14.244 3.702 -11.437 102 HE3 LYS 12 2HE LYS 12 -13.032 3.359 -12.669 103 HZ1 LYS 12 3HZ LYS 12 -14.310 1.781 -13.624 104 HZ2 LYS 12 1HZ LYS 12 -15.567 2.689 -12.939 105 HZ3 LYS 12 2HZ LYS 12 -15.014 1.286 -12.159 106 H LYS 13 H LYS 13 -8.425 -0.103 -10.844 107 HA LYS 13 HA LYS 13 -7.851 1.180 -13.433 108 HB2 LYS 13 1HB LYS 13 -7.370 2.306 -11.267 109 HB3 LYS 13 2HB LYS 13 -6.168 1.061 -10.924 110 HG2 LYS 13 1HG LYS 13 -4.907 1.685 -12.924 111 HG3 LYS 13 2HG LYS 13 -6.134 2.881 -13.346 112 HD2 LYS 13 1HD LYS 13 -5.687 4.086 -11.240 113 HD3 LYS 13 2HD LYS 13 -4.447 2.902 -10.827 114 HE2 LYS 13 1HE LYS 13 -3.370 4.846 -11.814 115 HE3 LYS 13 2HE LYS 13 -3.247 3.495 -12.940 116 HZ1 LYS 13 3HZ LYS 13 -4.481 5.999 -13.320 117 HZ2 LYS 13 1HZ LYS 13 -5.650 4.779 -13.468 118 HZ3 LYS 13 2HZ LYS 13 -4.256 4.742 -14.441 119 H TYR 14 H TYR 14 -6.686 -1.635 -11.599 120 HA TYR 14 HA TYR 14 -4.788 -2.226 -13.865 121 HB2 TYR 14 1HB TYR 14 -4.547 -3.039 -10.961 122 HB3 TYR 14 2HB TYR 14 -3.369 -3.353 -12.236 123 HD1 TYR 14 HD1 TYR 14 -2.413 -1.302 -13.501 124 HD2 TYR 14 HD2 TYR 14 -4.453 -1.030 -9.732 125 HE1 TYR 14 HE1 TYR 14 -1.394 0.924 -13.108 126 HE2 TYR 14 HE2 TYR 14 -3.432 1.195 -9.337 127 HH TYR 14 HH TYR 14 -2.437 3.111 -11.172 128 H ASP 15 H ASP 15 -7.597 -3.330 -12.287 129 HA ASP 15 HA ASP 15 -8.754 -5.381 -12.383 130 HB2 ASP 15 1HB ASP 15 -7.098 -5.474 -14.914 131 HB3 ASP 15 2HB ASP 15 -8.238 -6.749 -14.491 132 H THR 16 H THR 16 -6.422 -5.293 -10.745 133 HA THR 16 HA THR 16 -4.912 -7.764 -11.146 134 HB THR 16 HB THR 16 -5.121 -5.924 -8.746 135 HG1 THR 16 HG1 THR 16 -4.193 -5.294 -10.954 136 HG21 THR 16 3HG2 THR 16 -3.366 -8.287 -9.395 137 HG22 THR 16 1HG2 THR 16 -4.273 -7.958 -7.919 138 HG23 THR 16 2HG2 THR 16 -2.823 -7.025 -8.288 139 H LYS 17 H LYS 17 -4.957 -9.510 -9.478 140 HA LYS 17 HA LYS 17 -7.674 -9.849 -8.244 141 HB2 LYS 17 1HB LYS 17 -7.171 -11.328 -10.258 142 HB3 LYS 17 2HB LYS 17 -5.912 -12.078 -9.281 143 HG2 LYS 17 1HG LYS 17 -7.718 -13.499 -8.853 144 HG3 LYS 17 2HG LYS 17 -7.845 -12.372 -7.506 145 HD2 LYS 17 1HD LYS 17 -9.534 -11.065 -8.757 146 HD3 LYS 17 2HD LYS 17 -9.390 -12.181 -10.114 147 HE2 LYS 17 1HE LYS 17 -10.032 -14.040 -8.513 148 HE3 LYS 17 2HE LYS 17 -10.414 -12.786 -7.333 149 HZ1 LYS 17 3HZ LYS 17 -11.849 -11.797 -9.153 150 HZ2 LYS 17 1HZ LYS 17 -12.414 -13.219 -8.421 151 HZ3 LYS 17 2HZ LYS 17 -11.685 -13.286 -9.954 152 HA PRO 18 HA PRO 18 -4.568 -9.806 -4.801 153 HB2 PRO 18 1HB PRO 18 -7.139 -9.587 -3.280 154 HB3 PRO 18 2HB PRO 18 -5.648 -8.638 -3.114 155 HG2 PRO 18 1HG PRO 18 -7.801 -7.605 -4.279 156 HG3 PRO 18 2HG PRO 18 -6.175 -7.262 -4.897 157 HD2 PRO 18 1HD PRO 18 -8.252 -9.116 -6.010 158 HD3 PRO 18 2HD PRO 18 -7.090 -8.074 -6.865 159 H ASP 19 H ASP 19 -4.003 -11.460 -3.365 160 HA ASP 19 HA ASP 19 -5.869 -13.796 -3.115 161 HB2 ASP 19 1HB ASP 19 -4.051 -14.159 -4.854 162 HB3 ASP 19 2HB ASP 19 -2.880 -14.014 -3.543 163 H HIS 20 H HIS 20 -5.573 -14.995 -1.151 164 HA HIS 20 HA HIS 20 -3.978 -13.555 0.955 165 HB2 HIS 20 1HB HIS 20 -6.482 -15.198 1.382 166 HB3 HIS 20 2HB HIS 20 -5.675 -14.143 2.544 167 HD1 HIS 20 HD1 HIS 20 -6.640 -13.469 -1.080 168 HD2 HIS 20 HD2 HIS 20 -7.373 -11.959 2.735 169 HE1 HIS 20 HE1 HIS 20 -8.043 -11.384 -1.393 170 HA PRO 21 HA PRO 21 -2.083 -17.767 0.387 171 HB2 PRO 21 1HB PRO 21 0.045 -16.283 1.894 172 HB3 PRO 21 2HB PRO 21 0.202 -17.350 0.484 173 HG2 PRO 21 1HG PRO 21 0.394 -14.713 0.225 174 HG3 PRO 21 2HG PRO 21 -0.434 -15.693 -1.002 175 HD2 PRO 21 1HD PRO 21 -1.624 -13.928 1.113 176 HD3 PRO 21 2HD PRO 21 -2.183 -14.233 -0.547 177 H TRP 22 H TRP 22 -2.202 -15.663 3.230 178 HA TRP 22 HA TRP 22 -1.982 -17.951 5.076 179 HB2 TRP 22 1HB TRP 22 -2.433 -14.988 5.534 180 HB3 TRP 22 2HB TRP 22 -2.212 -16.176 6.821 181 HD1 TRP 22 HD1 TRP 22 0.123 -17.829 6.198 182 HE1 TRP 22 HE1 TRP 22 2.482 -16.912 5.704 183 HE3 TRP 22 HE3 TRP 22 -1.056 -13.054 4.820 184 HZ2 TRP 22 HZ2 TRP 22 3.706 -14.476 4.840 185 HZ3 TRP 22 HZ3 TRP 22 0.725 -11.459 4.166 186 HH2 TRP 22 HH2 TRP 22 3.102 -12.163 4.173 187 H GLU 23 H GLU 23 -3.724 -19.037 5.813 188 HA GLU 23 HA GLU 23 -6.427 -18.121 5.075 189 HB2 GLU 23 1HB GLU 23 -7.137 -20.330 5.787 190 HB3 GLU 23 2HB GLU 23 -5.675 -20.508 4.815 191 HG2 GLU 23 1HG GLU 23 -4.352 -20.496 6.973 192 HG3 GLU 23 2HG GLU 23 -5.887 -20.585 7.836 193 H LYS 24 H LYS 24 -4.408 -18.392 7.930 194 HA LYS 24 HA LYS 24 -6.630 -17.964 9.790 195 HB2 LYS 24 1HB LYS 24 -3.629 -17.874 10.194 196 HB3 LYS 24 2HB LYS 24 -4.819 -17.779 11.493 197 HG2 LYS 24 1HG LYS 24 -5.730 -19.990 10.746 198 HG3 LYS 24 2HG LYS 24 -4.415 -20.094 9.577 199 HD2 LYS 24 1HD LYS 24 -3.971 -19.738 12.552 200 HD3 LYS 24 2HD LYS 24 -3.997 -21.311 11.762 201 HE2 LYS 24 1HE LYS 24 -2.185 -20.367 10.193 202 HE3 LYS 24 2HE LYS 24 -2.027 -19.055 11.359 203 HZ1 LYS 24 3HZ LYS 24 -1.094 -20.391 12.882 204 HZ2 LYS 24 1HZ LYS 24 -0.678 -21.331 11.532 205 HZ3 LYS 24 2HZ LYS 24 -2.041 -21.738 12.461 206 H PHE 25 H PHE 25 -4.879 -15.961 7.728 207 HA PHE 25 HA PHE 25 -5.497 -13.545 9.409 208 HB2 PHE 25 1HB PHE 25 -3.155 -14.136 7.599 209 HB3 PHE 25 2HB PHE 25 -3.578 -12.492 8.076 210 HD1 PHE 25 HD1 PHE 25 -2.402 -15.780 9.270 211 HD2 PHE 25 HD2 PHE 25 -3.325 -11.734 10.379 212 HE1 PHE 25 HE1 PHE 25 -1.280 -16.123 11.455 213 HE2 PHE 25 HE2 PHE 25 -2.200 -12.076 12.563 214 HZ PHE 25 HZ PHE 25 -1.179 -14.272 13.101 215 HA PRO 26 HA PRO 26 -7.829 -13.431 5.366 216 HB2 PRO 26 1HB PRO 26 -10.232 -12.591 6.435 217 HB3 PRO 26 2HB PRO 26 -9.778 -14.295 6.246 218 HG2 PRO 26 1HG PRO 26 -9.728 -12.582 8.682 219 HG3 PRO 26 2HG PRO 26 -10.127 -14.301 8.517 220 HD2 PRO 26 1HD PRO 26 -7.710 -13.391 9.457 221 HD3 PRO 26 2HD PRO 26 -7.914 -14.965 8.660 222 H ASP 27 H ASP 27 -7.181 -11.203 7.913 223 HA ASP 27 HA ASP 27 -8.192 -8.844 6.500 224 HB2 ASP 27 1HB ASP 27 -6.433 -9.195 8.941 225 HB3 ASP 27 2HB ASP 27 -6.943 -7.622 8.325 226 H TYR 28 H TYR 28 -5.547 -10.839 6.079 227 HA TYR 28 HA TYR 28 -3.740 -8.654 5.138 228 HB2 TYR 28 1HB TYR 28 -3.351 -11.583 5.761 229 HB3 TYR 28 2HB TYR 28 -2.154 -10.688 4.824 230 HD1 TYR 28 HD2 TYR 28 -4.210 -10.241 7.945 231 HD2 TYR 28 HD1 TYR 28 -0.405 -9.701 6.022 232 HE1 TYR 28 HE2 TYR 28 -3.285 -9.288 10.038 233 HE2 TYR 28 HE1 TYR 28 0.516 -8.744 8.114 234 HH TYR 28 HH TYR 28 -1.518 -8.402 11.028 235 H ALA 29 H ALA 29 -3.386 -8.343 2.979 236 HA ALA 29 HA ALA 29 -4.338 -10.405 1.032 237 HB1 ALA 29 3HB ALA 29 -6.168 -8.856 1.075 238 HB2 ALA 29 1HB ALA 29 -5.223 -8.453 -0.360 239 HB3 ALA 29 2HB ALA 29 -5.078 -7.469 1.097 240 H VAL 30 H VAL 30 -3.138 -10.405 -0.913 241 HA VAL 30 HA VAL 30 -0.723 -8.616 -0.956 242 HB VAL 30 HB VAL 30 -0.975 -11.493 -1.868 243 HG11 VAL 30 1HG1 VAL 30 1.261 -9.462 -2.007 244 HG12 VAL 30 2HG1 VAL 30 0.573 -10.414 -3.322 245 HG13 VAL 30 3HG1 VAL 30 1.564 -11.198 -2.093 246 HG21 VAL 30 3HG2 VAL 30 0.631 -11.915 -0.022 247 HG22 VAL 30 1HG2 VAL 30 -0.887 -11.248 0.579 248 HG23 VAL 30 2HG2 VAL 30 0.534 -10.214 0.435 249 H PHE 31 H PHE 31 -0.522 -7.418 -2.761 250 HA PHE 31 HA PHE 31 -2.281 -8.048 -5.106 251 HB2 PHE 31 1HB PHE 31 -0.944 -5.442 -4.324 252 HB3 PHE 31 2HB PHE 31 -2.087 -5.670 -5.648 253 HD1 PHE 31 HD1 PHE 31 -1.711 -5.951 -1.949 254 HD2 PHE 31 HD2 PHE 31 -4.430 -5.605 -5.256 255 HE1 PHE 31 HE1 PHE 31 -3.590 -5.619 -0.367 256 HE2 PHE 31 HE2 PHE 31 -6.307 -5.271 -3.673 257 HZ PHE 31 HZ PHE 31 -5.890 -5.281 -1.230 258 H ARG 32 H ARG 32 -1.083 -9.174 -6.602 259 HA ARG 32 HA ARG 32 1.524 -8.004 -7.457 260 HB2 ARG 32 1HB ARG 32 2.049 -9.837 -5.870 261 HB3 ARG 32 2HB ARG 32 1.120 -10.953 -6.869 262 HG2 ARG 32 1HG ARG 32 2.629 -10.543 -8.767 263 HG3 ARG 32 2HG ARG 32 3.535 -9.370 -7.811 264 HD2 ARG 32 1HD ARG 32 4.709 -11.511 -7.797 265 HD3 ARG 32 2HD ARG 32 4.086 -11.177 -6.184 266 HE ARG 32 HE ARG 32 2.550 -12.980 -6.438 267 HH11 ARG 32 1HH2 ARG 32 4.177 -12.172 -9.371 268 HH12 ARG 32 2HH2 ARG 32 3.695 -13.619 -10.192 269 HH21 ARG 32 1HH1 ARG 32 1.915 -14.876 -7.495 270 HH22 ARG 32 2HH1 ARG 32 2.416 -15.149 -9.131 271 H HIS 33 H HIS 33 1.957 -8.331 -9.652 272 HA HIS 33 HA HIS 33 -0.356 -9.328 -11.253 273 HB2 HIS 33 1HB HIS 33 2.042 -7.633 -12.004 274 HB3 HIS 33 2HB HIS 33 0.760 -8.111 -13.119 275 HD1 HIS 33 HD1 HIS 33 1.046 -5.149 -12.702 276 HD2 HIS 33 HD2 HIS 33 -1.320 -7.496 -10.199 277 HE1 HIS 33 HE1 HIS 33 -0.622 -3.585 -11.616 278 H SER 34 H SER 34 -0.167 -11.417 -11.840 279 HA SER 34 HA SER 34 2.342 -12.839 -11.896 280 HB2 SER 34 1HB SER 34 0.994 -14.670 -12.881 281 HB3 SER 34 2HB SER 34 0.209 -13.981 -11.463 282 HG SER 34 HG SER 34 -1.262 -14.188 -13.176 283 H ASP 35 H ASP 35 0.710 -10.828 -14.155 284 HA ASP 35 HA ASP 35 1.618 -11.965 -16.613 285 HB2 ASP 35 1HB ASP 35 -0.111 -10.212 -16.502 286 HB3 ASP 35 2HB ASP 35 1.092 -9.061 -15.922 287 H ASN 36 H ASN 36 3.096 -9.525 -14.474 288 HA ASN 36 HA ASN 36 5.655 -9.817 -16.021 289 HB2 ASN 36 1HB ASN 36 6.256 -7.614 -15.154 290 HB3 ASN 36 2HB ASN 36 4.688 -7.521 -15.952 291 HD21 ASN 36 2HD2 ASN 36 4.606 -5.505 -14.405 292 HD22 ASN 36 1HD2 ASN 36 3.968 -5.776 -12.856 293 H ASP 37 H ASP 37 4.128 -10.855 -13.280 294 HA ASP 37 HA ASP 37 4.878 -11.825 -11.287 295 HB2 ASP 37 1HB ASP 37 6.387 -12.982 -12.983 296 HB3 ASP 37 2HB ASP 37 7.623 -11.798 -12.561 297 H LYS 38 H LYS 38 5.728 -8.797 -12.240 298 HA LYS 38 HA LYS 38 7.455 -8.230 -9.870 299 HB2 LYS 38 1HB LYS 38 6.774 -6.630 -12.344 300 HB3 LYS 38 2HB LYS 38 7.678 -5.959 -10.991 301 HG2 LYS 38 1HG LYS 38 9.335 -7.812 -11.234 302 HG3 LYS 38 2HG LYS 38 8.479 -8.341 -12.676 303 HD2 LYS 38 1HD LYS 38 9.557 -5.534 -12.345 304 HD3 LYS 38 2HD LYS 38 10.487 -6.830 -13.092 305 HE2 LYS 38 1HE LYS 38 8.483 -7.145 -14.670 306 HE3 LYS 38 2HE LYS 38 7.904 -5.594 -14.062 307 HZ1 LYS 38 3HZ LYS 38 10.239 -4.777 -14.622 308 HZ2 LYS 38 1HZ LYS 38 9.157 -5.030 -15.904 309 HZ3 LYS 38 2HZ LYS 38 10.364 -6.179 -15.573 310 H TRP 39 H TRP 39 6.673 -5.462 -9.679 311 HA TRP 39 HA TRP 39 5.171 -4.158 -8.465 312 HB2 TRP 39 1HB TRP 39 3.725 -4.208 -10.360 313 HB3 TRP 39 2HB TRP 39 3.266 -5.882 -10.068 314 HD1 TRP 39 HD1 TRP 39 1.046 -6.193 -8.874 315 HE1 TRP 39 HE1 TRP 39 -0.446 -4.750 -7.342 316 HE3 TRP 39 HE3 TRP 39 4.002 -2.052 -8.404 317 HZ2 TRP 39 HZ2 TRP 39 -0.388 -2.183 -6.077 318 HZ3 TRP 39 HZ3 TRP 39 3.262 -0.131 -7.026 319 HH2 TRP 39 HH2 TRP 39 1.075 -0.190 -5.863 320 H TYR 40 H TYR 40 5.706 -4.797 -6.378 321 HA TYR 40 HA TYR 40 4.087 -7.031 -5.189 322 HB2 TYR 40 1HB TYR 40 6.748 -5.837 -4.359 323 HB3 TYR 40 2HB TYR 40 5.862 -7.040 -3.417 324 HD1 TYR 40 HD2 TYR 40 5.559 -9.325 -4.252 325 HD2 TYR 40 HD1 TYR 40 7.818 -6.419 -6.463 326 HE1 TYR 40 HE2 TYR 40 6.488 -11.131 -5.675 327 HE2 TYR 40 HE1 TYR 40 8.747 -8.224 -7.889 328 HH TYR 40 HH TYR 40 7.784 -10.729 -8.535 329 H ALA 41 H ALA 41 2.529 -6.389 -3.824 330 HA ALA 41 HA ALA 41 2.905 -4.029 -2.093 331 HB1 ALA 41 3HB ALA 41 0.421 -3.388 -2.910 332 HB2 ALA 41 1HB ALA 41 0.990 -4.144 -4.398 333 HB3 ALA 41 2HB ALA 41 1.847 -2.756 -3.734 334 H LEU 42 H LEU 42 1.650 -4.256 -0.196 335 HA LEU 42 HA LEU 42 -0.306 -6.500 -0.089 336 HB2 LEU 42 1HB LEU 42 0.756 -7.191 2.125 337 HB3 LEU 42 2HB LEU 42 1.655 -7.628 0.674 338 HG LEU 42 HG LEU 42 2.285 -4.961 1.903 339 HD11 LEU 42 1HD1 LEU 42 3.850 -6.003 3.512 340 HD12 LEU 42 2HD1 LEU 42 3.209 -7.592 3.095 341 HD13 LEU 42 3HD1 LEU 42 2.173 -6.403 3.884 342 HD21 LEU 42 3HD2 LEU 42 3.378 -6.019 -0.183 343 HD22 LEU 42 1HD2 LEU 42 4.167 -7.129 0.936 344 HD23 LEU 42 2HD2 LEU 42 4.469 -5.396 1.053 345 H LEU 43 H LEU 43 -1.928 -6.166 1.417 346 HA LEU 43 HA LEU 43 -1.865 -3.552 2.892 347 HB2 LEU 43 1HB LEU 43 -3.508 -3.698 0.996 348 HB3 LEU 43 2HB LEU 43 -4.286 -5.036 1.825 349 HG LEU 43 HG LEU 43 -3.854 -2.373 3.200 350 HD11 LEU 43 1HD1 LEU 43 -6.184 -3.201 1.449 351 HD12 LEU 43 2HD1 LEU 43 -5.073 -1.863 1.164 352 HD13 LEU 43 3HD1 LEU 43 -6.194 -1.803 2.523 353 HD21 LEU 43 3HD2 LEU 43 -4.592 -3.801 4.864 354 HD22 LEU 43 1HD2 LEU 43 -5.428 -4.873 3.747 355 HD23 LEU 43 2HD2 LEU 43 -6.161 -3.347 4.221 356 H MET 44 H MET 44 -1.984 -3.771 5.086 357 HA MET 44 HA MET 44 -3.435 -6.105 6.218 358 HB2 MET 44 1HB MET 44 -1.385 -6.370 7.834 359 HB3 MET 44 2HB MET 44 -1.326 -7.115 6.240 360 HG2 MET 44 1HG MET 44 -0.040 -5.232 5.362 361 HG3 MET 44 2HG MET 44 -0.154 -4.404 6.916 362 HE1 MET 44 3HE MET 44 2.314 -4.687 5.493 363 HE2 MET 44 1HE MET 44 3.558 -5.576 6.384 364 HE3 MET 44 2HE MET 44 2.672 -4.271 7.169 365 H ASP 45 H ASP 45 -3.902 -5.815 8.512 366 HA ASP 45 HA ASP 45 -4.160 -2.934 9.206 367 HB2 ASP 45 1HB ASP 45 -5.702 -3.795 10.981 368 HB3 ASP 45 2HB ASP 45 -6.198 -4.261 9.355 369 H ILE 46 H ILE 46 -2.542 -2.107 10.443 370 HA ILE 46 HA ILE 46 -1.367 -3.842 12.586 371 HB ILE 46 HB ILE 46 0.768 -2.563 12.241 372 HG12 ILE 46 1HG1 ILE 46 -0.399 -1.778 9.563 373 HG13 ILE 46 2HG1 ILE 46 -0.486 -0.694 10.951 374 HG21 ILE 46 1HG2 ILE 46 1.468 -3.902 10.344 375 HG22 ILE 46 2HG2 ILE 46 -0.199 -4.072 9.796 376 HG23 ILE 46 3HG2 ILE 46 0.320 -4.845 11.294 377 HD11 ILE 46 3HD1 ILE 46 2.095 -1.924 9.959 378 HD12 ILE 46 1HD1 ILE 46 1.915 -0.651 11.166 379 HD13 ILE 46 2HD1 ILE 46 1.532 -0.325 9.478 380 HA PRO 47 HA PRO 47 -2.718 -0.662 15.342 381 HB2 PRO 47 1HB PRO 47 -0.693 -0.775 17.268 382 HB3 PRO 47 2HB PRO 47 -2.097 -1.856 17.197 383 HG2 PRO 47 1HG PRO 47 0.696 -2.326 16.288 384 HG3 PRO 47 2HG PRO 47 -0.460 -3.455 17.009 385 HD2 PRO 47 1HD PRO 47 0.105 -3.436 14.340 386 HD3 PRO 47 2HD PRO 47 -1.487 -3.910 14.976 387 H ALA 48 H ALA 48 -2.435 1.518 15.700 388 HA ALA 48 HA ALA 48 -0.589 2.946 14.072 389 HB1 ALA 48 3HB ALA 48 -1.351 4.877 15.779 390 HB2 ALA 48 1HB ALA 48 -2.562 3.664 16.192 391 HB3 ALA 48 2HB ALA 48 -2.438 4.254 14.538 392 H GLU 49 H GLU 49 -0.278 1.594 17.238 393 HA GLU 49 HA GLU 49 1.688 3.298 18.370 394 HB2 GLU 49 1HB GLU 49 1.271 0.315 18.683 395 HB3 GLU 49 2HB GLU 49 2.358 1.270 19.692 396 HG2 GLU 49 1HG GLU 49 0.488 2.675 20.421 397 HG3 GLU 49 2HG GLU 49 -0.612 1.782 19.371 398 H LYS 50 H LYS 50 2.036 0.616 16.067 399 HA LYS 50 HA LYS 50 4.887 0.420 16.192 400 HB2 LYS 50 1HB LYS 50 2.896 -0.241 14.023 401 HB3 LYS 50 2HB LYS 50 4.624 -0.554 13.847 402 HG2 LYS 50 1HG LYS 50 4.599 -1.948 15.861 403 HG3 LYS 50 2HG LYS 50 2.887 -1.607 16.093 404 HD2 LYS 50 1HD LYS 50 2.364 -2.662 13.940 405 HD3 LYS 50 2HD LYS 50 4.077 -2.970 13.662 406 HE2 LYS 50 1HE LYS 50 4.147 -4.387 15.684 407 HE3 LYS 50 2HE LYS 50 2.429 -4.089 15.948 408 HZ1 LYS 50 3HZ LYS 50 3.550 -6.066 14.389 409 HZ2 LYS 50 1HZ LYS 50 2.907 -4.947 13.288 410 HZ3 LYS 50 2HZ LYS 50 1.908 -5.640 14.474 411 H ILE 51 H ILE 51 2.809 2.381 14.062 412 HA ILE 51 HA ILE 51 5.059 3.456 12.598 413 HB ILE 51 HB ILE 51 3.338 5.186 11.831 414 HG12 ILE 51 1HG1 ILE 51 1.539 3.378 13.460 415 HG13 ILE 51 2HG1 ILE 51 1.900 5.055 13.845 416 HG21 ILE 51 1HG2 ILE 51 2.616 2.251 11.555 417 HG22 ILE 51 2HG2 ILE 51 3.865 3.074 10.621 418 HG23 ILE 51 3HG2 ILE 51 2.176 3.541 10.436 419 HD11 ILE 51 3HD1 ILE 51 0.868 5.758 11.720 420 HD12 ILE 51 1HD1 ILE 51 -0.275 4.842 12.698 421 HD13 ILE 51 2HD1 ILE 51 0.515 4.077 11.325 422 H GLY 52 H GLY 52 4.753 3.735 15.690 423 HA2 GLY 52 1HA GLY 52 5.832 5.254 17.142 424 HA3 GLY 52 2HA GLY 52 6.091 6.328 15.773 425 H ILE 53 H ILE 53 2.900 5.757 15.515 426 HA ILE 53 HA ILE 53 2.255 8.298 16.818 427 HB ILE 53 HB ILE 53 0.502 6.290 15.369 428 HG12 ILE 53 1HG1 ILE 53 1.649 8.984 14.558 429 HG13 ILE 53 2HG1 ILE 53 2.231 7.420 13.998 430 HG21 ILE 53 1HG2 ILE 53 -1.141 8.198 15.319 431 HG22 ILE 53 2HG2 ILE 53 -0.092 9.071 16.434 432 HG23 ILE 53 3HG2 ILE 53 -0.859 7.569 16.936 433 HD11 ILE 53 3HD1 ILE 53 -0.324 8.840 13.327 434 HD12 ILE 53 1HD1 ILE 53 -0.282 7.080 13.263 435 HD13 ILE 53 2HD1 ILE 53 0.812 8.025 12.254 436 H ASN 54 H ASN 54 1.330 8.558 18.792 437 HA ASN 54 HA ASN 54 1.196 6.325 20.614 438 HB2 ASN 54 1HB ASN 54 0.295 7.961 22.213 439 HB3 ASN 54 2HB ASN 54 1.664 8.657 21.345 440 HD21 ASN 54 2HD2 ASN 54 0.429 10.746 22.100 441 HD22 ASN 54 1HD2 ASN 54 -0.751 11.344 21.035 442 H GLY 55 H GLY 55 -0.561 6.235 18.160 443 HA2 GLY 55 1HA GLY 55 -3.289 6.316 19.298 444 HA3 GLY 55 2HA GLY 55 -2.874 6.006 17.612 445 H ASP 56 H ASP 56 -4.342 4.503 19.966 446 HA ASP 56 HA ASP 56 -2.931 1.883 19.695 447 HB2 ASP 56 1HB ASP 56 -4.523 1.177 21.511 448 HB3 ASP 56 2HB ASP 56 -3.461 2.504 21.987 449 H LYS 57 H LYS 57 -5.038 3.546 17.928 450 HA LYS 57 HA LYS 57 -7.185 1.563 17.634 451 HB2 LYS 57 1HB LYS 57 -6.551 3.907 15.823 452 HB3 LYS 57 2HB LYS 57 -8.097 3.074 16.000 453 HG2 LYS 57 1HG LYS 57 -8.180 3.799 18.378 454 HG3 LYS 57 2HG LYS 57 -6.690 4.705 18.126 455 HD2 LYS 57 1HD LYS 57 -9.254 5.139 16.567 456 HD3 LYS 57 2HD LYS 57 -8.728 6.133 17.924 457 HE2 LYS 57 1HE LYS 57 -7.865 7.382 16.167 458 HE3 LYS 57 2HE LYS 57 -6.492 6.318 16.459 459 HZ1 LYS 57 3HZ LYS 57 -8.110 6.531 14.160 460 HZ2 LYS 57 1HZ LYS 57 -8.234 4.958 14.781 461 HZ3 LYS 57 2HZ LYS 57 -6.708 5.597 14.394 462 H ARG 58 H ARG 58 -7.557 0.377 15.641 463 HA ARG 58 HA ARG 58 -5.059 -0.562 14.412 464 HB2 ARG 58 1HB ARG 58 -7.963 -1.320 13.958 465 HB3 ARG 58 2HB ARG 58 -6.593 -2.115 13.177 466 HG2 ARG 58 1HG ARG 58 -5.679 -2.726 15.378 467 HG3 ARG 58 2HG ARG 58 -7.031 -1.919 16.172 468 HD2 ARG 58 1HD ARG 58 -7.359 -4.197 14.204 469 HD3 ARG 58 2HD ARG 58 -7.311 -4.412 15.953 470 HE ARG 58 HE ARG 58 -9.279 -2.450 15.377 471 HH11 ARG 58 1HH2 ARG 58 -8.573 -5.787 14.887 472 HH12 ARG 58 2HH2 ARG 58 -10.235 -6.272 14.859 473 HH21 ARG 58 1HH1 ARG 58 -11.455 -3.062 15.345 474 HH22 ARG 58 2HH1 ARG 58 -11.868 -4.729 15.119 475 H VAL 59 H VAL 59 -4.283 0.156 12.478 476 HA VAL 59 HA VAL 59 -6.092 1.789 10.727 477 HB VAL 59 HB VAL 59 -4.037 3.125 10.157 478 HG11 VAL 59 1HG1 VAL 59 -5.785 3.854 11.805 479 HG12 VAL 59 2HG1 VAL 59 -4.186 4.515 12.147 480 HG13 VAL 59 3HG1 VAL 59 -4.801 3.160 13.095 481 HG21 VAL 59 3HG2 VAL 59 -2.924 1.532 12.493 482 HG22 VAL 59 1HG2 VAL 59 -2.199 3.028 11.912 483 HG23 VAL 59 2HG2 VAL 59 -2.275 1.618 10.856 484 H ASP 60 H ASP 60 -5.893 1.451 8.508 485 HA ASP 60 HA ASP 60 -4.492 -1.054 7.762 486 HB2 ASP 60 1HB ASP 60 -6.397 0.769 6.280 487 HB3 ASP 60 2HB ASP 60 -5.658 -0.656 5.552 488 H VAL 61 H VAL 61 -2.762 -1.152 6.332 489 HA VAL 61 HA VAL 61 -1.756 1.413 5.173 490 HB VAL 61 HB VAL 61 0.469 1.018 5.936 491 HG11 VAL 61 1HG1 VAL 61 -1.236 0.217 8.299 492 HG12 VAL 61 2HG1 VAL 61 -1.272 1.845 7.625 493 HG13 VAL 61 3HG1 VAL 61 0.224 1.204 8.295 494 HG21 VAL 61 3HG2 VAL 61 0.722 -1.345 5.631 495 HG22 VAL 61 1HG2 VAL 61 -0.598 -1.699 6.746 496 HG23 VAL 61 2HG2 VAL 61 0.930 -1.070 7.358 497 H ILE 62 H ILE 62 -0.287 1.059 3.351 498 HA ILE 62 HA ILE 62 -0.436 -1.672 2.140 499 HB ILE 62 HB ILE 62 -0.941 -0.642 -0.049 500 HG12 ILE 62 1HG1 ILE 62 -1.298 1.921 1.547 501 HG13 ILE 62 2HG1 ILE 62 0.050 1.599 0.456 502 HG21 ILE 62 1HG2 ILE 62 -2.775 -1.472 1.337 503 HG22 ILE 62 2HG2 ILE 62 -3.295 -0.026 0.474 504 HG23 ILE 62 3HG2 ILE 62 -2.863 0.072 2.182 505 HD11 ILE 62 3HD1 ILE 62 -1.653 2.910 -0.707 506 HD12 ILE 62 1HD1 ILE 62 -2.876 1.698 -0.322 507 HD13 ILE 62 2HD1 ILE 62 -1.548 1.298 -1.413 508 H ASP 63 H ASP 63 1.327 -2.143 0.723 509 HA ASP 63 HA ASP 63 3.664 -0.284 1.046 510 HB2 ASP 63 1HB ASP 63 3.524 -3.285 0.746 511 HB3 ASP 63 2HB ASP 63 5.029 -2.369 0.626 512 H LEU 64 H LEU 64 4.789 0.352 -0.743 513 HA LEU 64 HA LEU 64 4.056 -0.828 -3.380 514 HB2 LEU 64 1HB LEU 64 4.101 1.591 -4.288 515 HB3 LEU 64 2HB LEU 64 2.651 1.022 -3.476 516 HG LEU 64 HG LEU 64 3.876 2.047 -1.315 517 HD11 LEU 64 1HD1 LEU 64 4.997 3.642 -3.632 518 HD12 LEU 64 2HD1 LEU 64 5.928 2.677 -2.484 519 HD13 LEU 64 3HD1 LEU 64 5.079 4.118 -1.936 520 HD21 LEU 64 3HD2 LEU 64 2.358 3.515 -3.468 521 HD22 LEU 64 1HD2 LEU 64 2.726 4.242 -1.904 522 HD23 LEU 64 2HD2 LEU 64 1.720 2.794 -1.990 523 H LYS 65 H LYS 65 5.667 -0.400 -5.051 524 HA LYS 65 HA LYS 65 8.379 -0.245 -3.879 525 HB2 LYS 65 1HB LYS 65 7.939 -2.107 -5.377 526 HB3 LYS 65 2HB LYS 65 7.415 -1.002 -6.647 527 HG2 LYS 65 1HG LYS 65 9.652 -0.053 -6.815 528 HG3 LYS 65 2HG LYS 65 10.195 -1.008 -5.436 529 HD2 LYS 65 1HD LYS 65 9.757 -3.076 -6.700 530 HD3 LYS 65 2HD LYS 65 9.209 -2.119 -8.076 531 HE2 LYS 65 1HE LYS 65 11.963 -1.861 -6.848 532 HE3 LYS 65 2HE LYS 65 11.606 -2.873 -8.247 533 HZ1 LYS 65 3HZ LYS 65 12.097 -0.122 -8.183 534 HZ2 LYS 65 1HZ LYS 65 10.488 -0.346 -8.674 535 HZ3 LYS 65 2HZ LYS 65 11.750 -1.098 -9.531 536 H VAL 66 H VAL 66 9.862 1.355 -4.353 537 HA VAL 66 HA VAL 66 9.172 3.388 -6.415 538 HB VAL 66 HB VAL 66 9.819 5.209 -4.806 539 HG11 VAL 66 1HG1 VAL 66 7.629 5.222 -3.688 540 HG12 VAL 66 2HG1 VAL 66 7.425 3.511 -4.047 541 HG13 VAL 66 3HG1 VAL 66 7.464 4.688 -5.358 542 HG21 VAL 66 3HG2 VAL 66 9.326 3.111 -2.687 543 HG22 VAL 66 1HG2 VAL 66 9.933 4.749 -2.465 544 HG23 VAL 66 2HG2 VAL 66 10.950 3.528 -3.223 545 H GLN 67 H GLN 67 11.069 4.810 -6.868 546 HA GLN 67 HA GLN 67 13.457 3.185 -7.132 547 HB2 GLN 67 1HB GLN 67 12.570 5.925 -7.951 548 HB3 GLN 67 2HB GLN 67 14.305 5.625 -7.924 549 HG2 GLN 67 1HG GLN 67 14.061 3.760 -9.455 550 HG3 GLN 67 2HG GLN 67 12.303 3.880 -9.382 551 HE21 GLN 67 2HE2 GLN 67 12.120 6.774 -9.495 552 HE22 GLN 67 1HE2 GLN 67 12.618 7.262 -11.043 553 HA PRO 68 HA PRO 68 15.644 4.394 -3.466 554 HB2 PRO 68 1HB PRO 68 18.226 4.697 -4.436 555 HB3 PRO 68 2HB PRO 68 17.469 3.126 -4.114 556 HG2 PRO 68 1HG PRO 68 17.781 4.577 -6.706 557 HG3 PRO 68 2HG PRO 68 17.960 2.848 -6.354 558 HD2 PRO 68 1HD PRO 68 15.723 3.838 -7.522 559 HD3 PRO 68 2HD PRO 68 15.662 2.460 -6.402 560 H GLU 69 H GLU 69 15.789 6.419 -6.308 561 HA GLU 69 HA GLU 69 16.913 8.720 -4.845 562 HB2 GLU 69 1HB GLU 69 17.461 8.336 -7.245 563 HB3 GLU 69 2HB GLU 69 15.760 8.572 -7.648 564 HG2 GLU 69 1HG GLU 69 15.841 10.851 -6.730 565 HG3 GLU 69 2HG GLU 69 17.530 10.616 -6.279 566 H LEU 70 H LEU 70 13.789 7.447 -5.755 567 HA LEU 70 HA LEU 70 12.438 9.989 -4.980 568 HB2 LEU 70 1HB LEU 70 11.294 7.410 -6.091 569 HB3 LEU 70 2HB LEU 70 10.386 8.892 -5.805 570 HG LEU 70 HG LEU 70 12.741 8.624 -7.703 571 HD11 LEU 70 1HD1 LEU 70 10.647 7.434 -8.408 572 HD12 LEU 70 2HD1 LEU 70 11.098 8.757 -9.483 573 HD13 LEU 70 3HD1 LEU 70 9.794 8.975 -8.316 574 HD21 LEU 70 3HD2 LEU 70 10.976 10.925 -6.863 575 HD22 LEU 70 1HD2 LEU 70 11.676 10.902 -8.481 576 HD23 LEU 70 2HD2 LEU 70 12.727 10.893 -7.069 577 H VAL 71 H VAL 71 13.705 7.492 -3.352 578 HA VAL 71 HA VAL 71 11.577 6.541 -1.685 579 HB VAL 71 HB VAL 71 13.823 5.480 -1.797 580 HG11 VAL 71 1HG1 VAL 71 14.981 7.793 -1.809 581 HG12 VAL 71 2HG1 VAL 71 15.757 6.501 -0.895 582 HG13 VAL 71 3HG1 VAL 71 14.822 7.737 -0.054 583 HG21 VAL 71 3HG2 VAL 71 12.409 5.042 0.166 584 HG22 VAL 71 1HG2 VAL 71 13.041 6.477 0.968 585 HG23 VAL 71 2HG2 VAL 71 14.102 5.111 0.644 586 H GLY 72 H GLY 72 13.751 9.340 -1.413 587 HA2 GLY 72 1HA GLY 72 12.679 10.131 1.177 588 HA3 GLY 72 2HA GLY 72 13.763 11.089 0.173 589 H SER 73 H SER 73 11.628 10.515 -2.066 590 HA SER 73 HA SER 73 10.323 13.066 -1.818 591 HB2 SER 73 1HB SER 73 10.791 11.999 -3.997 592 HB3 SER 73 2HB SER 73 9.630 10.731 -3.615 593 HG SER 73 HG SER 73 8.016 12.306 -3.543 594 H LEU 74 H LEU 74 8.909 9.760 -1.705 595 HA LEU 74 HA LEU 74 6.434 10.888 -0.575 596 HB2 LEU 74 1HB LEU 74 5.435 8.801 -0.980 597 HB3 LEU 74 2HB LEU 74 6.566 8.988 -2.306 598 HG LEU 74 HG LEU 74 7.139 7.387 0.219 599 HD11 LEU 74 1HD1 LEU 74 5.471 6.190 -0.966 600 HD12 LEU 74 2HD1 LEU 74 6.996 5.460 -1.465 601 HD13 LEU 74 3HD1 LEU 74 6.170 6.602 -2.530 602 HD21 LEU 74 3HD2 LEU 74 8.624 7.857 -2.379 603 HD22 LEU 74 1HD2 LEU 74 8.999 6.522 -1.293 604 HD23 LEU 74 2HD2 LEU 74 9.191 8.180 -0.745 605 H ARG 75 H ARG 75 9.291 9.282 0.605 606 HA ARG 75 HA ARG 75 8.163 8.379 3.108 607 HB2 ARG 75 1HB ARG 75 10.273 7.481 2.142 608 HB3 ARG 75 2HB ARG 75 11.039 9.041 2.429 609 HG2 ARG 75 1HG ARG 75 10.614 8.818 4.846 610 HG3 ARG 75 2HG ARG 75 9.831 7.261 4.564 611 HD2 ARG 75 1HD ARG 75 11.958 6.436 3.537 612 HD3 ARG 75 2HD ARG 75 12.726 7.954 3.992 613 HE ARG 75 HE ARG 75 11.955 5.782 5.829 614 HH11 ARG 75 1HH2 ARG 75 12.883 9.074 5.352 615 HH12 ARG 75 2HH2 ARG 75 13.462 9.280 6.970 616 HH21 ARG 75 1HH1 ARG 75 12.697 6.043 7.946 617 HH22 ARG 75 2HH1 ARG 75 13.356 7.568 8.438 618 H LYS 76 H LYS 76 9.257 11.441 1.924 619 HA LYS 76 HA LYS 76 9.568 12.571 4.637 620 HB2 LYS 76 1HB LYS 76 10.309 14.558 3.548 621 HB3 LYS 76 2HB LYS 76 10.991 13.231 2.620 622 HG2 LYS 76 1HG LYS 76 10.081 14.268 0.790 623 HG3 LYS 76 2HG LYS 76 8.550 13.609 1.344 624 HD2 LYS 76 1HD LYS 76 8.120 15.667 2.633 625 HD3 LYS 76 2HD LYS 76 9.666 16.325 2.096 626 HE2 LYS 76 1HE LYS 76 8.914 16.209 -0.244 627 HE3 LYS 76 2HE LYS 76 7.373 15.531 0.281 628 HZ1 LYS 76 3HZ LYS 76 8.366 18.118 1.310 629 HZ2 LYS 76 1HZ LYS 76 6.784 17.505 1.346 630 HZ3 LYS 76 2HZ LYS 76 7.462 18.017 -0.125 631 H LYS 77 H LYS 77 7.051 11.850 2.556 632 HA LYS 77 HA LYS 77 5.388 14.188 3.166 633 HB2 LYS 77 1HB LYS 77 5.069 11.673 1.561 634 HB3 LYS 77 2HB LYS 77 3.614 12.528 2.057 635 HG2 LYS 77 1HG LYS 77 4.497 14.596 1.008 636 HG3 LYS 77 2HG LYS 77 5.928 13.707 0.490 637 HD2 LYS 77 1HD LYS 77 4.342 13.820 -1.360 638 HD3 LYS 77 2HD LYS 77 4.467 12.154 -0.799 639 HE2 LYS 77 1HE LYS 77 2.343 13.880 0.432 640 HE3 LYS 77 2HE LYS 77 2.085 13.297 -1.211 641 HZ1 LYS 77 3HZ LYS 77 2.120 11.834 1.281 642 HZ2 LYS 77 1HZ LYS 77 2.961 11.085 0.012 643 HZ3 LYS 77 2HZ LYS 77 1.321 11.486 -0.178 644 HA PRO 78 HA PRO 78 3.642 12.591 6.928 645 HB2 PRO 78 1HB PRO 78 1.129 13.665 6.851 646 HB3 PRO 78 2HB PRO 78 2.582 14.630 7.158 647 HG2 PRO 78 1HG PRO 78 1.045 14.276 4.616 648 HG3 PRO 78 2HG PRO 78 1.731 15.753 5.322 649 HD2 PRO 78 1HD PRO 78 2.971 14.405 3.307 650 HD3 PRO 78 2HD PRO 78 3.875 15.287 4.559 651 H GLY 79 H GLY 79 2.355 10.913 7.750 652 HA2 GLY 79 1HA GLY 79 0.695 9.207 7.716 653 HA3 GLY 79 2HA GLY 79 0.302 9.648 6.057 654 H ILE 80 H ILE 80 3.281 9.535 5.410 655 HA ILE 80 HA ILE 80 3.326 6.606 4.917 656 HB ILE 80 HB ILE 80 4.983 8.862 3.772 657 HG12 ILE 80 1HG1 ILE 80 2.853 7.106 2.520 658 HG13 ILE 80 2HG1 ILE 80 2.546 8.721 3.146 659 HG21 ILE 80 1HG2 ILE 80 4.934 5.888 3.196 660 HG22 ILE 80 2HG2 ILE 80 6.309 6.824 3.779 661 HG23 ILE 80 3HG2 ILE 80 5.702 7.073 2.144 662 HD11 ILE 80 3HD1 ILE 80 3.794 9.751 1.473 663 HD12 ILE 80 1HD1 ILE 80 3.082 8.402 0.599 664 HD13 ILE 80 2HD1 ILE 80 4.751 8.310 1.149 665 H TYR 81 H TYR 81 4.491 5.326 6.218 666 HA TYR 81 HA TYR 81 6.819 6.516 7.673 667 HB2 TYR 81 1HB TYR 81 4.890 4.342 8.493 668 HB3 TYR 81 2HB TYR 81 6.385 4.691 9.364 669 HD1 TYR 81 HD2 TYR 81 6.777 7.140 10.112 670 HD2 TYR 81 HD1 TYR 81 2.941 5.588 8.958 671 HE1 TYR 81 HE2 TYR 81 5.664 9.014 11.295 672 HE2 TYR 81 HE1 TYR 81 1.828 7.464 10.140 673 HH TYR 81 HH TYR 81 3.568 9.605 12.236 674 HA PRO 82 HA PRO 82 9.496 3.550 5.706 675 HB2 PRO 82 1HB PRO 82 10.692 2.862 8.351 676 HB3 PRO 82 2HB PRO 82 11.469 3.513 6.896 677 HG2 PRO 82 1HG PRO 82 11.055 5.026 9.057 678 HG3 PRO 82 2HG PRO 82 10.927 5.687 7.416 679 HD2 PRO 82 1HD PRO 82 8.729 4.931 9.320 680 HD3 PRO 82 2HD PRO 82 8.838 6.291 8.182 681 H ALA 83 H ALA 83 9.769 1.276 5.395 682 HA ALA 83 HA ALA 83 7.607 -0.399 6.236 683 HB1 ALA 83 3HB ALA 83 10.307 -1.354 5.258 684 HB2 ALA 83 1HB ALA 83 9.076 -0.696 4.180 685 HB3 ALA 83 2HB ALA 83 8.752 -2.171 5.093 686 H TYR 84 H TYR 84 7.617 -2.188 7.702 687 HA TYR 84 HA TYR 84 9.416 -1.806 10.025 688 HB2 TYR 84 1HB TYR 84 7.252 -3.902 9.809 689 HB3 TYR 84 2HB TYR 84 7.859 -3.087 11.251 690 HD1 TYR 84 HD2 TYR 84 7.380 -0.591 11.539 691 HD2 TYR 84 HD1 TYR 84 5.450 -3.023 8.571 692 HE1 TYR 84 HE2 TYR 84 5.589 1.112 11.304 693 HE2 TYR 84 HE1 TYR 84 3.665 -1.326 8.337 694 HH TYR 84 HH TYR 84 3.880 1.708 9.219 695 H HIS 85 H HIS 85 9.616 -3.456 7.186 696 HA HIS 85 HA HIS 85 10.834 -5.920 8.346 697 HB2 HIS 85 1HB HIS 85 10.105 -5.177 5.498 698 HB3 HIS 85 2HB HIS 85 10.855 -6.702 5.970 699 HD1 HIS 85 HD1 HIS 85 9.428 -8.075 7.887 700 HD2 HIS 85 HD2 HIS 85 7.342 -5.238 5.656 701 HE1 HIS 85 HE1 HIS 85 6.968 -8.605 8.175 702 H MET 86 H MET 86 12.735 -6.613 6.633 703 HA MET 86 HA MET 86 14.950 -4.936 7.291 704 HB2 MET 86 1HB MET 86 15.139 -7.363 6.802 705 HB3 MET 86 2HB MET 86 14.752 -7.036 5.114 706 HG2 MET 86 1HG MET 86 16.750 -5.666 4.872 707 HG3 MET 86 2HG MET 86 17.112 -5.834 6.590 708 HE1 MET 86 3HE MET 86 18.765 -7.357 7.402 709 HE2 MET 86 1HE MET 86 18.707 -9.097 7.096 710 HE3 MET 86 2HE MET 86 17.294 -8.266 7.738 711 H ASN 87 H ASN 87 13.025 -5.238 4.322 712 HA ASN 87 HA ASN 87 14.679 -3.499 2.739 713 HB2 ASN 87 1HB ASN 87 11.772 -4.293 2.501 714 HB3 ASN 87 2HB ASN 87 12.615 -3.324 1.295 715 HD21 ASN 87 2HD2 ASN 87 15.177 -4.983 1.985 716 HD22 ASN 87 1HD2 ASN 87 14.949 -6.421 1.117 717 H LYS 88 H LYS 88 14.268 -1.322 2.104 718 HA LYS 88 HA LYS 88 12.333 0.262 3.693 719 HB2 LYS 88 1HB LYS 88 14.410 0.231 5.055 720 HB3 LYS 88 2HB LYS 88 15.311 0.850 3.672 721 HG2 LYS 88 1HG LYS 88 13.944 2.890 3.663 722 HG3 LYS 88 2HG LYS 88 12.983 2.264 5.006 723 HD2 LYS 88 1HD LYS 88 15.011 2.186 6.416 724 HD3 LYS 88 2HD LYS 88 15.962 2.832 5.078 725 HE2 LYS 88 1HE LYS 88 13.615 4.228 6.393 726 HE3 LYS 88 2HE LYS 88 15.312 4.620 6.658 727 HZ1 LYS 88 3HZ LYS 88 13.952 4.699 4.020 728 HZ2 LYS 88 1HZ LYS 88 15.543 5.182 4.352 729 HZ3 LYS 88 2HZ LYS 88 14.240 6.058 5.000 730 H GLU 89 H GLU 89 15.111 0.577 1.460 731 HA GLU 89 HA GLU 89 13.906 2.849 0.104 732 HB2 GLU 89 1HB GLU 89 16.261 1.074 -0.594 733 HB3 GLU 89 2HB GLU 89 15.801 2.505 -1.517 734 HG2 GLU 89 1HG GLU 89 16.114 3.917 0.451 735 HG3 GLU 89 2HG GLU 89 16.481 2.503 1.438 736 H HIS 90 H HIS 90 13.610 -0.566 -0.130 737 HA HIS 90 HA HIS 90 12.778 -0.573 -2.943 738 HB2 HIS 90 1HB HIS 90 12.257 -2.776 -0.948 739 HB3 HIS 90 2HB HIS 90 12.483 -2.907 -2.691 740 HD1 HIS 90 HD1 HIS 90 14.233 -4.462 -0.591 741 HD2 HIS 90 HD2 HIS 90 15.334 -0.887 -2.432 742 HE1 HIS 90 HE1 HIS 90 16.760 -4.354 -0.490 743 H TRP 91 H TRP 91 11.066 -1.478 0.068 744 HA TRP 91 HA TRP 91 8.500 -0.593 -1.204 745 HB2 TRP 91 1HB TRP 91 8.823 -2.389 1.203 746 HB3 TRP 91 2HB TRP 91 7.387 -2.173 0.202 747 HD1 TRP 91 HD1 TRP 91 8.936 -2.351 -2.630 748 HE1 TRP 91 HE1 TRP 91 9.722 -4.662 -3.448 749 HE3 TRP 91 HE3 TRP 91 9.000 -4.881 1.804 750 HZ2 TRP 91 HZ2 TRP 91 10.302 -7.244 -2.369 751 HZ3 TRP 91 HZ3 TRP 91 9.674 -7.264 1.881 752 HH2 TRP 91 HH2 TRP 91 10.325 -8.448 -0.199 753 H ILE 92 H ILE 92 7.095 0.732 -0.028 754 HA ILE 92 HA ILE 92 8.133 1.901 2.527 755 HB ILE 92 HB ILE 92 6.714 3.535 0.410 756 HG12 ILE 92 1HG1 ILE 92 8.869 2.557 -0.512 757 HG13 ILE 92 2HG1 ILE 92 8.809 4.310 -0.464 758 HG21 ILE 92 1HG2 ILE 92 7.942 5.382 1.625 759 HG22 ILE 92 2HG2 ILE 92 8.430 4.179 2.818 760 HG23 ILE 92 3HG2 ILE 92 6.723 4.544 2.581 761 HD11 ILE 92 3HD1 ILE 92 10.975 3.243 0.348 762 HD12 ILE 92 1HD1 ILE 92 10.078 2.678 1.747 763 HD13 ILE 92 2HD1 ILE 92 10.236 4.403 1.449 764 H THR 93 H THR 93 6.578 2.150 4.083 765 HA THR 93 HA THR 93 3.944 0.960 3.513 766 HB THR 93 HB THR 93 5.145 2.036 6.077 767 HG1 THR 93 HG1 THR 93 5.351 -0.313 4.679 768 HG21 THR 93 3HG2 THR 93 2.670 0.384 5.530 769 HG22 THR 93 1HG2 THR 93 2.721 2.010 6.211 770 HG23 THR 93 2HG2 THR 93 3.353 0.649 7.133 771 H VAL 94 H VAL 94 2.105 2.109 3.218 772 HA VAL 94 HA VAL 94 2.172 5.067 3.703 773 HB VAL 94 HB VAL 94 0.502 3.478 1.748 774 HG11 VAL 94 1HG1 VAL 94 -0.783 5.365 2.319 775 HG12 VAL 94 2HG1 VAL 94 0.098 5.898 0.889 776 HG13 VAL 94 3HG1 VAL 94 0.634 6.400 2.491 777 HG21 VAL 94 3HG2 VAL 94 1.968 5.010 0.152 778 HG22 VAL 94 1HG2 VAL 94 2.622 3.493 0.764 779 HG23 VAL 94 2HG2 VAL 94 3.082 5.018 1.517 780 H LEU 95 H LEU 95 0.637 5.894 5.079 781 HA LEU 95 HA LEU 95 -1.100 3.956 6.468 782 HB2 LEU 95 1HB LEU 95 0.246 5.667 7.699 783 HB3 LEU 95 2HB LEU 95 -0.724 6.925 6.937 784 HG LEU 95 HG LEU 95 -2.762 5.939 7.955 785 HD11 LEU 95 1HD1 LEU 95 -0.774 3.893 8.856 786 HD12 LEU 95 2HD1 LEU 95 -2.461 3.696 8.383 787 HD13 LEU 95 3HD1 LEU 95 -2.063 4.319 9.980 788 HD21 LEU 95 3HD2 LEU 95 -2.400 6.866 10.107 789 HD22 LEU 95 1HD2 LEU 95 -1.231 7.701 9.085 790 HD23 LEU 95 2HD2 LEU 95 -0.706 6.379 10.120 791 H LEU 96 H LEU 96 -2.987 3.514 5.436 792 HA LEU 96 HA LEU 96 -4.344 5.294 3.637 793 HB2 LEU 96 1HB LEU 96 -5.278 2.866 5.179 794 HB3 LEU 96 2HB LEU 96 -6.296 3.710 4.018 795 HG LEU 96 HG LEU 96 -3.554 2.596 3.357 796 HD11 LEU 96 1HD1 LEU 96 -4.806 0.663 3.813 797 HD12 LEU 96 2HD1 LEU 96 -5.048 0.877 2.080 798 HD13 LEU 96 3HD1 LEU 96 -6.306 1.368 3.213 799 HD21 LEU 96 3HD2 LEU 96 -3.983 4.140 1.667 800 HD22 LEU 96 1HD2 LEU 96 -5.734 3.984 1.808 801 HD23 LEU 96 2HD2 LEU 96 -4.799 2.736 0.989 802 H ASN 97 H ASN 97 -4.748 4.564 7.074 803 HA ASN 97 HA ASN 97 -6.970 6.464 7.322 804 HB2 ASN 97 1HB ASN 97 -5.435 4.793 9.313 805 HB3 ASN 97 2HB ASN 97 -6.712 5.915 9.788 806 HD21 ASN 97 2HD2 ASN 97 -7.081 3.158 10.254 807 HD22 ASN 97 1HD2 ASN 97 -8.271 2.562 9.203 808 H GLY 98 H GLY 98 -4.080 7.205 6.537 809 HA2 GLY 98 1HA GLY 98 -3.319 8.988 8.774 810 HA3 GLY 98 2HA GLY 98 -2.364 8.679 7.326 811 HA PRO 99 HA PRO 99 -4.426 12.949 7.134 812 HB2 PRO 99 1HB PRO 99 -1.653 13.503 6.134 813 HB3 PRO 99 2HB PRO 99 -2.670 14.465 7.225 814 HG2 PRO 99 1HG PRO 99 -0.633 13.054 8.167 815 HG3 PRO 99 2HG PRO 99 -2.151 13.156 9.063 816 HD2 PRO 99 1HD PRO 99 -1.092 10.888 7.416 817 HD3 PRO 99 2HD PRO 99 -2.004 10.843 8.937 818 H LEU 100 H LEU 100 -2.282 11.223 4.879 819 HA LEU 100 HA LEU 100 -2.950 12.638 2.523 820 HB2 LEU 100 1HB LEU 100 -2.279 10.509 1.332 821 HB3 LEU 100 2HB LEU 100 -1.098 11.146 2.461 822 HG LEU 100 HG LEU 100 -2.479 9.474 4.137 823 HD11 LEU 100 1HD1 LEU 100 -2.365 7.880 1.585 824 HD12 LEU 100 2HD1 LEU 100 -3.817 8.776 2.011 825 HD13 LEU 100 3HD1 LEU 100 -3.220 7.512 3.081 826 HD21 LEU 100 3HD2 LEU 100 -0.022 9.525 3.760 827 HD22 LEU 100 1HD2 LEU 100 -0.246 8.618 2.266 828 HD23 LEU 100 2HD2 LEU 100 -0.638 7.874 3.817 829 H GLY 101 H GLY 101 -4.617 12.527 1.083 830 HA2 GLY 101 1HA GLY 101 -7.048 11.072 1.960 831 HA3 GLY 101 2HA GLY 101 -6.989 12.356 0.756 832 H ALA 102 H ALA 102 -8.424 10.552 -0.239 833 HA ALA 102 HA ALA 102 -7.232 8.186 -1.322 834 HB1 ALA 102 3HB ALA 102 -9.619 9.814 -2.230 835 HB2 ALA 102 1HB ALA 102 -9.647 8.404 -1.172 836 HB3 ALA 102 2HB ALA 102 -9.206 8.224 -2.870 837 H LYS 103 H LYS 103 -7.588 11.474 -2.594 838 HA LYS 103 HA LYS 103 -6.640 10.933 -5.235 839 HB2 LYS 103 1HB LYS 103 -6.505 13.443 -3.541 840 HB3 LYS 103 2HB LYS 103 -6.062 13.385 -5.248 841 HG2 LYS 103 1HG LYS 103 -8.315 12.647 -5.843 842 HG3 LYS 103 2HG LYS 103 -8.770 12.596 -4.141 843 HD2 LYS 103 1HD LYS 103 -9.581 14.683 -5.073 844 HD3 LYS 103 2HD LYS 103 -8.246 15.043 -3.980 845 HE2 LYS 103 1HE LYS 103 -7.635 14.599 -6.893 846 HE3 LYS 103 2HE LYS 103 -8.328 16.139 -6.393 847 HZ1 LYS 103 3HZ LYS 103 -6.459 16.742 -5.354 848 HZ2 LYS 103 1HZ LYS 103 -5.715 15.563 -6.321 849 HZ3 LYS 103 2HZ LYS 103 -6.168 15.190 -4.726 850 H GLU 104 H GLU 104 -4.957 11.808 -2.239 851 HA GLU 104 HA GLU 104 -2.347 12.076 -3.370 852 HB2 GLU 104 1HB GLU 104 -3.265 11.289 -0.598 853 HB3 GLU 104 2HB GLU 104 -1.580 11.615 -1.007 854 HG2 GLU 104 1HG GLU 104 -3.841 13.583 -1.458 855 HG3 GLU 104 2HG GLU 104 -2.805 13.594 -0.031 856 H ILE 105 H ILE 105 -4.080 9.264 -2.058 857 HA ILE 105 HA ILE 105 -1.890 7.434 -2.211 858 HB ILE 105 HB ILE 105 -4.884 7.003 -2.347 859 HG12 ILE 105 1HG1 ILE 105 -2.902 6.428 -0.134 860 HG13 ILE 105 2HG1 ILE 105 -3.813 7.936 -0.248 861 HG21 ILE 105 1HG2 ILE 105 -4.008 5.065 -3.378 862 HG22 ILE 105 2HG2 ILE 105 -4.174 4.602 -1.686 863 HG23 ILE 105 3HG2 ILE 105 -2.591 5.039 -2.329 864 HD11 ILE 105 3HD1 ILE 105 -5.059 5.176 -0.130 865 HD12 ILE 105 1HD1 ILE 105 -5.919 6.711 -0.120 866 HD13 ILE 105 2HD1 ILE 105 -4.906 6.263 1.249 867 H HIS 106 H HIS 106 -4.434 8.257 -4.562 868 HA HIS 106 HA HIS 106 -3.705 6.362 -6.547 869 HB2 HIS 106 1HB HIS 106 -4.913 9.128 -6.807 870 HB3 HIS 106 2HB HIS 106 -4.797 7.977 -8.139 871 HD1 HIS 106 HD1 HIS 106 -7.589 8.574 -7.588 872 HD2 HIS 106 HD2 HIS 106 -5.566 5.765 -5.263 873 HE1 HIS 106 HE1 HIS 106 -9.363 7.126 -6.508 874 H SER 107 H SER 107 -2.610 9.739 -6.114 875 HA SER 107 HA SER 107 -0.855 9.768 -8.365 876 HB2 SER 107 1HB SER 107 -0.635 11.294 -5.756 877 HB3 SER 107 2HB SER 107 0.221 11.687 -7.244 878 HG SER 107 HG SER 107 -2.420 12.077 -6.535 879 H LEU 108 H LEU 108 -0.265 8.933 -4.954 880 HA LEU 108 HA LEU 108 2.543 8.465 -5.211 881 HB2 LEU 108 1HB LEU 108 0.465 7.321 -3.331 882 HB3 LEU 108 2HB LEU 108 2.193 7.043 -3.143 883 HG LEU 108 HG LEU 108 1.007 9.826 -3.320 884 HD11 LEU 108 1HD1 LEU 108 1.362 9.762 -0.760 885 HD12 LEU 108 2HD1 LEU 108 1.366 8.007 -0.936 886 HD13 LEU 108 3HD1 LEU 108 -0.057 8.937 -1.403 887 HD21 LEU 108 3HD2 LEU 108 3.678 8.659 -2.504 888 HD22 LEU 108 1HD2 LEU 108 3.179 10.248 -1.929 889 HD23 LEU 108 2HD2 LEU 108 3.353 9.952 -3.655 890 H ILE 109 H ILE 109 -0.236 6.250 -5.476 891 HA ILE 109 HA ILE 109 1.335 3.903 -5.981 892 HB ILE 109 HB ILE 109 -1.523 4.606 -6.703 893 HG12 ILE 109 1HG1 ILE 109 -0.416 2.746 -4.580 894 HG13 ILE 109 2HG1 ILE 109 -0.847 4.427 -4.269 895 HG21 ILE 109 1HG2 ILE 109 0.038 2.033 -7.017 896 HG22 ILE 109 2HG2 ILE 109 -0.893 2.893 -8.242 897 HG23 ILE 109 3HG2 ILE 109 -1.723 2.060 -6.930 898 HD11 ILE 109 3HD1 ILE 109 -3.153 3.881 -5.199 899 HD12 ILE 109 1HD1 ILE 109 -2.757 3.118 -3.661 900 HD13 ILE 109 2HD1 ILE 109 -2.675 2.185 -5.153 901 H GLU 110 H GLU 110 -0.189 6.287 -8.147 902 HA GLU 110 HA GLU 110 0.343 5.065 -10.617 903 HB2 GLU 110 1HB GLU 110 -0.913 7.204 -10.318 904 HB3 GLU 110 2HB GLU 110 0.616 8.021 -9.990 905 HG2 GLU 110 1HG GLU 110 1.449 7.399 -12.214 906 HG3 GLU 110 2HG GLU 110 -0.050 6.529 -12.543 907 H ASP 111 H ASP 111 2.500 7.082 -8.631 908 HA ASP 111 HA ASP 111 4.710 7.069 -10.439 909 HB2 ASP 111 1HB ASP 111 4.577 8.579 -8.493 910 HB3 ASP 111 2HB ASP 111 4.706 7.195 -7.409 911 H SER 112 H SER 112 3.835 4.871 -7.771 912 HA SER 112 HA SER 112 6.139 3.179 -8.067 913 HB2 SER 112 1HB SER 112 4.839 1.565 -6.719 914 HB3 SER 112 2HB SER 112 4.790 3.180 -6.025 915 HG SER 112 HG SER 112 2.743 1.775 -6.494 916 H PHE 113 H PHE 113 2.880 3.096 -9.452 917 HA PHE 113 HA PHE 113 3.073 0.551 -10.719 918 HB2 PHE 113 1HB PHE 113 0.949 1.781 -10.493 919 HB3 PHE 113 2HB PHE 113 1.539 3.006 -11.618 920 HD1 PHE 113 HD1 PHE 113 0.894 -0.664 -11.315 921 HD2 PHE 113 HD2 PHE 113 1.277 2.713 -13.943 922 HE1 PHE 113 HE1 PHE 113 0.148 -2.063 -13.222 923 HE2 PHE 113 HE2 PHE 113 0.530 1.313 -15.848 924 HZ PHE 113 HZ PHE 113 -0.034 -1.074 -15.488 925 H GLN 114 H GLN 114 3.865 3.809 -11.932 926 HA GLN 114 HA GLN 114 4.577 3.111 -14.562 927 HB2 GLN 114 1HB GLN 114 5.700 5.212 -12.702 928 HB3 GLN 114 2HB GLN 114 6.157 5.094 -14.402 929 HG2 GLN 114 1HG GLN 114 3.841 5.391 -15.093 930 HG3 GLN 114 2HG GLN 114 3.305 5.375 -13.415 931 HE21 GLN 114 2HE2 GLN 114 2.504 7.643 -14.479 932 HE22 GLN 114 1HE2 GLN 114 3.544 8.949 -14.170 933 H LEU 115 H LEU 115 6.533 2.998 -11.605 934 HA LEU 115 HA LEU 115 8.974 2.179 -12.869 935 HB2 LEU 115 1HB LEU 115 7.945 1.748 -10.053 936 HB3 LEU 115 2HB LEU 115 9.601 1.426 -10.558 937 HG LEU 115 HG LEU 115 8.250 4.124 -10.876 938 HD11 LEU 115 1HD1 LEU 115 8.334 3.795 -8.538 939 HD12 LEU 115 2HD1 LEU 115 9.796 4.712 -8.898 940 HD13 LEU 115 3HD1 LEU 115 9.893 2.973 -8.618 941 HD21 LEU 115 3HD2 LEU 115 10.775 4.786 -10.877 942 HD22 LEU 115 1HD2 LEU 115 10.107 4.072 -12.338 943 HD23 LEU 115 2HD2 LEU 115 11.065 3.086 -11.235 944 H THR 116 H THR 116 6.268 0.339 -11.503 945 HA THR 116 HA THR 116 7.574 -2.210 -12.337 946 HB THR 116 HB THR 116 6.032 -3.303 -10.880 947 HG1 THR 116 HG1 THR 116 4.650 -0.824 -10.835 948 HG21 THR 116 3HG2 THR 116 6.393 -0.721 -9.387 949 HG22 THR 116 1HG2 THR 116 7.820 -1.633 -9.878 950 HG23 THR 116 2HG2 THR 116 6.623 -2.372 -8.818 951 H ARG 117 H ARG 117 5.994 -0.039 -13.995 952 HA ARG 117 HA ARG 117 3.592 -1.087 -14.981 953 HB2 ARG 117 1HB ARG 117 4.041 0.152 -17.041 954 HB3 ARG 117 2HB ARG 117 4.550 1.100 -15.650 955 HG2 ARG 117 1HG ARG 117 6.886 0.252 -15.990 956 HG3 ARG 117 2HG ARG 117 6.336 -0.540 -17.465 957 HD2 ARG 117 1HD ARG 117 5.610 1.650 -18.365 958 HD3 ARG 117 2HD ARG 117 6.208 2.437 -16.904 959 HE ARG 117 HE ARG 117 8.241 0.828 -18.233 960 HH11 ARG 117 1HH2 ARG 117 6.584 3.847 -18.081 961 HH12 ARG 117 2HH2 ARG 117 7.886 4.748 -18.783 962 HH21 ARG 117 1HH1 ARG 117 9.952 1.986 -19.148 963 HH22 ARG 117 2HH1 ARG 117 9.793 3.694 -19.387 964 H LEU 118 H LEU 118 3.131 -2.357 -16.896 965 HA LEU 118 HA LEU 118 5.004 -4.634 -17.202 966 HB2 LEU 118 1HB LEU 118 2.205 -4.235 -18.306 967 HB3 LEU 118 2HB LEU 118 3.130 -5.732 -18.336 968 HG LEU 118 HG LEU 118 3.238 -5.247 -15.670 969 HD11 LEU 118 1HD1 LEU 118 1.907 -3.185 -15.776 970 HD12 LEU 118 2HD1 LEU 118 1.007 -4.439 -14.925 971 HD13 LEU 118 3HD1 LEU 118 0.608 -4.048 -16.597 972 HD21 LEU 118 3HD2 LEU 118 0.935 -6.521 -17.178 973 HD22 LEU 118 1HD2 LEU 118 1.261 -6.765 -15.461 974 HD23 LEU 118 2HD2 LEU 118 2.425 -7.314 -16.668 975 H GLU 119 H GLU 119 3.783 -5.200 -19.887 976 HA GLU 119 HA GLU 119 4.354 -4.905 -22.132 977 HB2 GLU 119 1HB GLU 119 4.536 -1.995 -21.295 978 HB3 GLU 119 2HB GLU 119 4.438 -2.584 -22.949 979 HG2 GLU 119 1HG GLU 119 2.247 -3.583 -22.495 980 HG3 GLU 119 2HG GLU 119 2.337 -3.042 -20.817 981 H HIS 120 H HIS 120 6.179 -2.752 -23.069 982 HA HIS 120 HA HIS 120 8.459 -2.570 -23.545 983 HB2 HIS 120 1HB HIS 120 8.493 -1.628 -21.265 984 HB3 HIS 120 2HB HIS 120 8.684 -3.247 -20.595 985 HD1 HIS 120 HD1 HIS 120 10.473 -0.900 -22.999 986 HD2 HIS 120 HD2 HIS 120 11.321 -4.086 -20.449 987 HE1 HIS 120 HE1 HIS 120 12.990 -1.179 -23.014 988 H HIS 121 H HIS 121 8.193 -4.562 -24.843 989 HA HIS 121 HA HIS 121 8.987 -7.125 -23.680 990 HB2 HIS 121 1HB HIS 121 8.574 -6.233 -26.547 991 HB3 HIS 121 2HB HIS 121 8.907 -7.895 -26.063 992 HD1 HIS 121 HD1 HIS 121 6.284 -7.553 -27.419 993 HD2 HIS 121 HD2 HIS 121 6.692 -6.923 -23.318 994 HE1 HIS 121 HE1 HIS 121 3.970 -7.805 -26.421 995 H HIS 122 H HIS 122 10.916 -8.280 -24.293 996 HA HIS 122 HA HIS 122 13.311 -6.739 -24.184 997 HB2 HIS 122 1HB HIS 122 12.841 -9.599 -25.069 998 HB3 HIS 122 2HB HIS 122 14.434 -8.901 -24.780 999 HD1 HIS 122 HD1 HIS 122 14.860 -8.006 -22.269 1000 HD2 HIS 122 HD2 HIS 122 11.531 -10.463 -22.773 1001 HE1 HIS 122 HE1 HIS 122 14.194 -8.792 -19.956 1002 H HIS 123 H HIS 123 11.624 -8.247 -26.929 1003 HA HIS 123 HA HIS 123 13.663 -7.561 -28.859 1004 HB2 HIS 123 1HB HIS 123 12.051 -9.378 -29.247 1005 HB3 HIS 123 2HB HIS 123 10.730 -8.210 -29.264 1006 HD1 HIS 123 HD1 HIS 123 13.990 -8.863 -31.137 1007 HD2 HIS 123 HD2 HIS 123 10.238 -7.161 -31.770 1008 HE1 HIS 123 HE1 HIS 123 13.895 -8.230 -33.588 1009 H HIS 124 H HIS 124 13.985 -5.660 -29.908 1010 HA HIS 124 HA HIS 124 12.302 -3.353 -29.223 1011 HB2 HIS 124 1HB HIS 124 14.747 -3.598 -30.998 1012 HB3 HIS 124 2HB HIS 124 13.985 -2.077 -30.528 1013 HD1 HIS 124 HD1 HIS 124 13.839 -1.692 -27.824 1014 HD2 HIS 124 HD2 HIS 124 16.593 -4.526 -29.151 1015 HE1 HIS 124 HE1 HIS 124 15.446 -2.082 -25.906 1016 H HIS 125 H HIS 125 11.027 -2.177 -30.680 1017 HA HIS 125 HA HIS 125 10.053 -3.679 -33.009 1018 HB2 HIS 125 1HB HIS 125 8.557 -1.589 -33.224 1019 HB3 HIS 125 2HB HIS 125 8.348 -2.576 -31.776 1020 HD1 HIS 125 HD1 HIS 125 7.527 -0.472 -30.436 1021 HD2 HIS 125 HD2 HIS 125 11.438 -0.181 -31.850 1022 HE1 HIS 125 HE1 HIS 125 8.584 1.487 -29.228 Start of MODEL 10 1 H1 MET 1 1H MET 1 -7.849 7.759 2.934 2 H2 MET 1 2H MET 1 -9.256 7.587 3.872 3 H3 MET 1 3H MET 1 -9.234 8.664 2.558 4 HA MET 1 HA MET 1 -10.244 6.990 1.485 5 HB2 MET 1 1HB MET 1 -8.041 7.207 0.406 6 HB3 MET 1 2HB MET 1 -7.376 6.002 1.509 7 HG2 MET 1 1HG MET 1 -8.900 4.304 0.633 8 HG3 MET 1 2HG MET 1 -9.682 5.502 -0.399 9 HE1 MET 1 3HE MET 1 -7.458 6.246 -3.205 10 HE2 MET 1 1HE MET 1 -8.647 6.847 -2.040 11 HE3 MET 1 2HE MET 1 -9.005 5.424 -3.015 12 H ASN 2 H ASN 2 -11.096 4.880 1.540 13 HA ASN 2 HA ASN 2 -10.702 3.465 4.136 14 HB2 ASN 2 1HB ASN 2 -13.001 4.207 3.505 15 HB3 ASN 2 2HB ASN 2 -12.917 3.156 2.093 16 HD21 ASN 2 2HD2 ASN 2 -14.508 1.608 2.767 17 HD22 ASN 2 1HD2 ASN 2 -14.309 0.625 4.135 18 H ARG 3 H ARG 3 -10.791 1.090 4.065 19 HA ARG 3 HA ARG 3 -8.834 -0.023 2.319 20 HB2 ARG 3 1HB ARG 3 -9.458 -0.958 4.549 21 HB3 ARG 3 2HB ARG 3 -11.003 -1.466 3.871 22 HG2 ARG 3 1HG ARG 3 -9.804 -2.870 2.214 23 HG3 ARG 3 2HG ARG 3 -8.270 -2.380 2.927 24 HD2 ARG 3 1HD ARG 3 -10.479 -3.776 4.464 25 HD3 ARG 3 2HD ARG 3 -9.097 -4.604 3.748 26 HE ARG 3 HE ARG 3 -8.100 -2.505 5.376 27 HH11 ARG 3 1HH2 ARG 3 -9.821 -5.492 5.599 28 HH12 ARG 3 2HH2 ARG 3 -9.238 -5.854 7.189 29 HH21 ARG 3 1HH1 ARG 3 -7.340 -2.969 7.438 30 HH22 ARG 3 2HH1 ARG 3 -7.837 -4.427 8.229 31 H GLN 4 H GLN 4 -12.380 -0.187 2.272 32 HA GLN 4 HA GLN 4 -12.662 -1.944 0.063 33 HB2 GLN 4 1HB GLN 4 -14.554 -1.304 1.495 34 HB3 GLN 4 2HB GLN 4 -14.428 0.361 0.942 35 HG2 GLN 4 1HG GLN 4 -16.241 -0.862 -0.226 36 HG3 GLN 4 2HG GLN 4 -14.991 -0.332 -1.350 37 HE21 GLN 4 2HE2 GLN 4 -14.448 -3.069 0.837 38 HE22 GLN 4 1HE2 GLN 4 -14.454 -4.258 -0.375 39 H GLN 5 H GLN 5 -12.269 1.569 0.175 40 HA GLN 5 HA GLN 5 -12.662 2.052 -2.618 41 HB2 GLN 5 1HB GLN 5 -11.073 3.546 -0.519 42 HB3 GLN 5 2HB GLN 5 -11.344 4.160 -2.151 43 HG2 GLN 5 1HG GLN 5 -13.775 4.075 -1.797 44 HG3 GLN 5 2HG GLN 5 -13.528 3.414 -0.181 45 HE21 GLN 5 2HE2 GLN 5 -14.520 6.186 -1.414 46 HE22 GLN 5 1HE2 GLN 5 -13.736 7.312 -0.414 47 H PHE 6 H PHE 6 -9.796 1.198 -0.730 48 HA PHE 6 HA PHE 6 -7.847 1.580 -2.778 49 HB2 PHE 6 1HB PHE 6 -7.344 1.143 -0.353 50 HB3 PHE 6 2HB PHE 6 -7.815 -0.537 -0.610 51 HD1 PHE 6 HD2 PHE 6 -5.624 2.070 -2.186 52 HD2 PHE 6 HD1 PHE 6 -6.117 -2.067 -1.137 53 HE1 PHE 6 HE2 PHE 6 -3.358 1.577 -3.061 54 HE2 PHE 6 HE1 PHE 6 -3.851 -2.557 -2.017 55 HZ PHE 6 HZ PHE 6 -2.471 -0.736 -2.978 56 H ILE 7 H ILE 7 -9.810 -1.249 -1.917 57 HA ILE 7 HA ILE 7 -8.702 -3.025 -3.879 58 HB ILE 7 HB ILE 7 -11.519 -3.029 -2.764 59 HG12 ILE 7 1HG1 ILE 7 -9.953 -2.923 -0.916 60 HG13 ILE 7 2HG1 ILE 7 -10.562 -4.571 -1.034 61 HG21 ILE 7 1HG2 ILE 7 -11.321 -5.486 -3.115 62 HG22 ILE 7 2HG2 ILE 7 -9.755 -5.228 -3.882 63 HG23 ILE 7 3HG2 ILE 7 -11.218 -4.582 -4.627 64 HD11 ILE 7 3HD1 ILE 7 -7.848 -3.498 -1.749 65 HD12 ILE 7 1HD1 ILE 7 -8.440 -4.957 -2.541 66 HD13 ILE 7 2HD1 ILE 7 -8.260 -4.916 -0.789 67 H ASP 8 H ASP 8 -11.526 -0.859 -3.956 68 HA ASP 8 HA ASP 8 -12.441 -1.554 -6.569 69 HB2 ASP 8 1HB ASP 8 -12.611 0.996 -4.952 70 HB3 ASP 8 2HB ASP 8 -13.388 0.829 -6.525 71 H TYR 9 H TYR 9 -10.142 0.934 -5.490 72 HA TYR 9 HA TYR 9 -9.616 2.055 -8.069 73 HB2 TYR 9 1HB TYR 9 -8.976 3.087 -5.875 74 HB3 TYR 9 2HB TYR 9 -7.729 1.853 -5.708 75 HD1 TYR 9 HD2 TYR 9 -8.834 4.792 -7.645 76 HD2 TYR 9 HD1 TYR 9 -5.709 1.904 -7.057 77 HE1 TYR 9 HE2 TYR 9 -7.310 6.157 -9.045 78 HE2 TYR 9 HE1 TYR 9 -4.187 3.272 -8.459 79 HH TYR 9 HH TYR 9 -4.019 5.759 -9.104 80 H ALA 10 H ALA 10 -7.881 -0.439 -6.207 81 HA ALA 10 HA ALA 10 -5.925 -0.985 -8.245 82 HB1 ALA 10 3HB ALA 10 -5.885 -1.630 -5.734 83 HB2 ALA 10 1HB ALA 10 -5.256 -2.812 -6.882 84 HB3 ALA 10 2HB ALA 10 -6.878 -3.005 -6.212 85 H GLN 11 H GLN 11 -9.070 -2.400 -7.459 86 HA GLN 11 HA GLN 11 -8.908 -4.552 -9.367 87 HB2 GLN 11 1HB GLN 11 -10.541 -4.299 -7.390 88 HB3 GLN 11 2HB GLN 11 -11.468 -3.242 -8.451 89 HG2 GLN 11 1HG GLN 11 -12.430 -5.361 -8.798 90 HG3 GLN 11 2HG GLN 11 -11.336 -5.171 -10.168 91 HE21 GLN 11 2HE2 GLN 11 -9.934 -6.904 -10.485 92 HE22 GLN 11 1HE2 GLN 11 -9.479 -8.025 -9.297 93 H LYS 12 H LYS 12 -10.532 -1.373 -9.501 94 HA LYS 12 HA LYS 12 -11.422 -1.669 -12.214 95 HB2 LYS 12 1HB LYS 12 -12.296 0.045 -10.600 96 HB3 LYS 12 2HB LYS 12 -10.764 0.905 -10.758 97 HG2 LYS 12 1HG LYS 12 -11.134 1.181 -13.165 98 HG3 LYS 12 2HG LYS 12 -12.634 0.262 -13.057 99 HD2 LYS 12 1HD LYS 12 -13.566 1.967 -11.523 100 HD3 LYS 12 2HD LYS 12 -12.070 2.893 -11.654 101 HE2 LYS 12 1HE LYS 12 -12.420 3.150 -14.075 102 HE3 LYS 12 2HE LYS 12 -13.898 2.192 -13.972 103 HZ1 LYS 12 3HZ LYS 12 -15.016 3.992 -13.382 104 HZ2 LYS 12 1HZ LYS 12 -13.615 4.929 -13.577 105 HZ3 LYS 12 2HZ LYS 12 -13.981 4.257 -12.059 106 H LYS 13 H LYS 13 -8.428 -0.592 -10.762 107 HA LYS 13 HA LYS 13 -7.339 0.432 -13.277 108 HB2 LYS 13 1HB LYS 13 -6.747 1.396 -11.058 109 HB3 LYS 13 2HB LYS 13 -5.939 -0.119 -10.655 110 HG2 LYS 13 1HG LYS 13 -4.386 0.158 -12.511 111 HG3 LYS 13 2HG LYS 13 -5.237 1.605 -13.049 112 HD2 LYS 13 1HD LYS 13 -4.691 2.704 -10.883 113 HD3 LYS 13 2HD LYS 13 -3.781 1.270 -10.408 114 HE2 LYS 13 1HE LYS 13 -3.202 2.982 -12.844 115 HE3 LYS 13 2HE LYS 13 -2.292 3.019 -11.335 116 HZ1 LYS 13 3HZ LYS 13 -1.190 1.184 -11.887 117 HZ2 LYS 13 1HZ LYS 13 -1.782 1.407 -13.462 118 HZ3 LYS 13 2HZ LYS 13 -2.597 0.373 -12.388 119 H TYR 14 H TYR 14 -6.885 -2.530 -11.317 120 HA TYR 14 HA TYR 14 -5.143 -3.606 -13.526 121 HB2 TYR 14 1HB TYR 14 -5.229 -4.418 -10.611 122 HB3 TYR 14 2HB TYR 14 -4.135 -5.061 -11.834 123 HD1 TYR 14 HD2 TYR 14 -2.667 -3.320 -13.116 124 HD2 TYR 14 HD1 TYR 14 -4.580 -2.536 -9.354 125 HE1 TYR 14 HE2 TYR 14 -1.086 -1.457 -12.700 126 HE2 TYR 14 HE1 TYR 14 -3.000 -0.670 -8.937 127 HH TYR 14 HH TYR 14 -0.189 -0.285 -10.411 128 H ASP 15 H ASP 15 -8.059 -4.124 -11.688 129 HA ASP 15 HA ASP 15 -9.733 -5.758 -11.883 130 HB2 ASP 15 1HB ASP 15 -9.384 -5.244 -14.349 131 HB3 ASP 15 2HB ASP 15 -8.327 -6.650 -14.418 132 H THR 16 H THR 16 -7.388 -6.295 -10.356 133 HA THR 16 HA THR 16 -7.122 -9.267 -10.672 134 HB THR 16 HB THR 16 -5.011 -7.911 -10.905 135 HG1 THR 16 HG1 THR 16 -5.280 -9.696 -8.723 136 HG21 THR 16 3HG2 THR 16 -4.076 -6.799 -9.023 137 HG22 THR 16 1HG2 THR 16 -5.282 -7.473 -7.928 138 HG23 THR 16 2HG2 THR 16 -5.748 -6.243 -9.104 139 H LYS 17 H LYS 17 -7.774 -10.523 -9.015 140 HA LYS 17 HA LYS 17 -9.167 -9.234 -6.779 141 HB2 LYS 17 1HB LYS 17 -8.913 -12.043 -7.827 142 HB3 LYS 17 2HB LYS 17 -9.494 -11.798 -6.180 143 HG2 LYS 17 1HG LYS 17 -11.353 -10.502 -6.928 144 HG3 LYS 17 2HG LYS 17 -10.678 -10.340 -8.549 145 HD2 LYS 17 1HD LYS 17 -12.471 -12.013 -8.550 146 HD3 LYS 17 2HD LYS 17 -10.921 -12.791 -8.873 147 HE2 LYS 17 1HE LYS 17 -10.787 -13.689 -6.684 148 HE3 LYS 17 2HE LYS 17 -12.031 -12.600 -6.070 149 HZ1 LYS 17 3HZ LYS 17 -13.171 -14.000 -8.166 150 HZ2 LYS 17 1HZ LYS 17 -13.506 -14.171 -6.513 151 HZ3 LYS 17 2HZ LYS 17 -12.328 -15.152 -7.246 152 HA PRO 18 HA PRO 18 -5.859 -9.542 -3.864 153 HB2 PRO 18 1HB PRO 18 -7.256 -10.016 -1.530 154 HB3 PRO 18 2HB PRO 18 -7.189 -8.436 -2.335 155 HG2 PRO 18 1HG PRO 18 -9.332 -10.515 -2.436 156 HG3 PRO 18 2HG PRO 18 -9.475 -8.752 -2.305 157 HD2 PRO 18 1HD PRO 18 -9.839 -10.055 -4.665 158 HD3 PRO 18 2HD PRO 18 -9.149 -8.420 -4.585 159 H ASP 19 H ASP 19 -4.545 -11.057 -2.860 160 HA ASP 19 HA ASP 19 -5.517 -13.900 -2.880 161 HB2 ASP 19 1HB ASP 19 -2.798 -12.713 -3.435 162 HB3 ASP 19 2HB ASP 19 -3.028 -14.426 -3.087 163 H HIS 20 H HIS 20 -4.743 -15.244 -1.174 164 HA HIS 20 HA HIS 20 -3.539 -13.875 1.168 165 HB2 HIS 20 1HB HIS 20 -5.295 -15.091 2.599 166 HB3 HIS 20 2HB HIS 20 -5.806 -13.638 1.744 167 HD1 HIS 20 HD1 HIS 20 -6.949 -14.150 -0.711 168 HD2 HIS 20 HD2 HIS 20 -6.884 -17.273 2.050 169 HE1 HIS 20 HE1 HIS 20 -8.693 -15.820 -1.476 170 HA PRO 21 HA PRO 21 -1.813 -18.113 0.431 171 HB2 PRO 21 1HB PRO 21 0.790 -17.497 0.998 172 HB3 PRO 21 2HB PRO 21 0.063 -17.175 -0.589 173 HG2 PRO 21 1HG PRO 21 0.571 -15.298 1.672 174 HG3 PRO 21 2HG PRO 21 0.759 -15.037 -0.069 175 HD2 PRO 21 1HD PRO 21 -1.397 -14.151 1.381 176 HD3 PRO 21 2HD PRO 21 -1.476 -14.498 -0.357 177 H TRP 22 H TRP 22 -1.874 -15.942 3.065 178 HA TRP 22 HA TRP 22 -0.951 -18.005 5.009 179 HB2 TRP 22 1HB TRP 22 -1.476 -15.737 6.499 180 HB3 TRP 22 2HB TRP 22 0.097 -16.137 5.820 181 HD1 TRP 22 HD1 TRP 22 -3.123 -14.535 4.344 182 HE1 TRP 22 HE1 TRP 22 -2.410 -12.457 2.987 183 HE3 TRP 22 HE3 TRP 22 1.928 -14.692 5.074 184 HZ2 TRP 22 HZ2 TRP 22 -0.016 -11.053 2.308 185 HZ3 TRP 22 HZ3 TRP 22 3.400 -12.975 4.059 186 HH2 TRP 22 HH2 TRP 22 2.434 -11.158 2.675 187 H GLU 23 H GLU 23 -2.564 -19.313 5.622 188 HA GLU 23 HA GLU 23 -5.357 -18.612 5.522 189 HB2 GLU 23 1HB GLU 23 -5.700 -20.750 6.691 190 HB3 GLU 23 2HB GLU 23 -4.534 -20.949 5.384 191 HG2 GLU 23 1HG GLU 23 -2.677 -20.719 7.018 192 HG3 GLU 23 2HG GLU 23 -3.856 -20.578 8.323 193 H LYS 24 H LYS 24 -2.884 -18.513 8.018 194 HA LYS 24 HA LYS 24 -4.648 -18.042 10.246 195 HB2 LYS 24 1HB LYS 24 -1.741 -17.315 9.808 196 HB3 LYS 24 2HB LYS 24 -2.573 -17.171 11.355 197 HG2 LYS 24 1HG LYS 24 -3.087 -19.602 11.279 198 HG3 LYS 24 2HG LYS 24 -2.186 -19.730 9.770 199 HD2 LYS 24 1HD LYS 24 -0.874 -18.556 12.221 200 HD3 LYS 24 2HD LYS 24 -0.971 -20.304 12.020 201 HE2 LYS 24 1HE LYS 24 0.294 -18.360 10.062 202 HE3 LYS 24 2HE LYS 24 1.154 -19.474 11.123 203 HZ1 LYS 24 3HZ LYS 24 1.025 -20.883 9.422 204 HZ2 LYS 24 1HZ LYS 24 -0.175 -19.984 8.630 205 HZ3 LYS 24 2HZ LYS 24 -0.608 -21.080 9.853 206 H PHE 25 H PHE 25 -4.108 -16.201 7.551 207 HA PHE 25 HA PHE 25 -5.088 -13.751 8.924 208 HB2 PHE 25 1HB PHE 25 -2.681 -13.847 7.094 209 HB3 PHE 25 2HB PHE 25 -3.497 -12.366 7.584 210 HD1 PHE 25 HD2 PHE 25 -1.486 -15.234 8.767 211 HD2 PHE 25 HD1 PHE 25 -3.322 -11.505 9.840 212 HE1 PHE 25 HE2 PHE 25 -0.204 -15.217 10.886 213 HE2 PHE 25 HE1 PHE 25 -2.041 -11.487 11.964 214 HZ PHE 25 HZ PHE 25 -0.481 -13.343 12.486 215 HA PRO 26 HA PRO 26 -7.242 -14.782 4.903 216 HB2 PRO 26 1HB PRO 26 -9.805 -14.592 5.892 217 HB3 PRO 26 2HB PRO 26 -8.857 -16.092 5.928 218 HG2 PRO 26 1HG PRO 26 -9.392 -14.137 8.111 219 HG3 PRO 26 2HG PRO 26 -9.259 -15.901 8.185 220 HD2 PRO 26 1HD PRO 26 -7.251 -14.181 8.955 221 HD3 PRO 26 2HD PRO 26 -6.956 -15.845 8.410 222 H ASP 27 H ASP 27 -7.298 -12.214 7.183 223 HA ASP 27 HA ASP 27 -8.928 -10.410 5.518 224 HB2 ASP 27 1HB ASP 27 -7.376 -10.038 8.095 225 HB3 ASP 27 2HB ASP 27 -8.256 -8.730 7.305 226 H TYR 28 H TYR 28 -5.785 -11.513 5.465 227 HA TYR 28 HA TYR 28 -4.514 -8.982 4.670 228 HB2 TYR 28 1HB TYR 28 -3.601 -11.822 5.026 229 HB3 TYR 28 2HB TYR 28 -2.613 -10.733 4.054 230 HD1 TYR 28 HD1 TYR 28 -4.692 -9.934 7.074 231 HD2 TYR 28 HD2 TYR 28 -0.743 -10.294 5.420 232 HE1 TYR 28 HE1 TYR 28 -3.748 -8.923 9.117 233 HE2 TYR 28 HE2 TYR 28 0.202 -9.285 7.475 234 HH TYR 28 HH TYR 28 -0.424 -8.992 9.831 235 H ALA 29 H ALA 29 -3.965 -8.399 2.590 236 HA ALA 29 HA ALA 29 -4.907 -10.200 0.377 237 HB1 ALA 29 3HB ALA 29 -6.598 -8.552 0.487 238 HB2 ALA 29 1HB ALA 29 -5.520 -7.977 -0.786 239 HB3 ALA 29 2HB ALA 29 -5.439 -7.267 0.825 240 H VAL 30 H VAL 30 -3.586 -10.284 -1.384 241 HA VAL 30 HA VAL 30 -1.145 -8.541 -1.393 242 HB VAL 30 HB VAL 30 -1.328 -11.476 -2.129 243 HG11 VAL 30 1HG1 VAL 30 1.168 -11.234 -2.319 244 HG12 VAL 30 2HG1 VAL 30 0.964 -9.490 -2.148 245 HG13 VAL 30 3HG1 VAL 30 0.280 -10.327 -3.543 246 HG21 VAL 30 3HG2 VAL 30 0.248 -10.176 0.104 247 HG22 VAL 30 1HG2 VAL 30 -0.059 -11.896 -0.146 248 HG23 VAL 30 2HG2 VAL 30 -1.373 -10.828 0.345 249 H PHE 31 H PHE 31 -0.775 -7.540 -3.303 250 HA PHE 31 HA PHE 31 -2.490 -8.278 -5.646 251 HB2 PHE 31 1HB PHE 31 -1.075 -5.661 -5.066 252 HB3 PHE 31 2HB PHE 31 -2.204 -5.974 -6.383 253 HD1 PHE 31 HD2 PHE 31 -4.602 -6.302 -5.946 254 HD2 PHE 31 HD1 PHE 31 -1.849 -5.393 -2.776 255 HE1 PHE 31 HE2 PHE 31 -6.502 -5.738 -4.454 256 HE2 PHE 31 HE1 PHE 31 -3.748 -4.829 -1.287 257 HZ PHE 31 HZ PHE 31 -6.070 -5.004 -2.126 258 H ARG 32 H ARG 32 -1.514 -8.839 -7.547 259 HA ARG 32 HA ARG 32 1.309 -8.198 -8.045 260 HB2 ARG 32 1HB ARG 32 1.856 -10.640 -8.446 261 HB3 ARG 32 2HB ARG 32 1.681 -10.174 -6.756 262 HG2 ARG 32 1HG ARG 32 -0.669 -10.989 -6.798 263 HG3 ARG 32 2HG ARG 32 -0.442 -11.510 -8.468 264 HD2 ARG 32 1HD ARG 32 1.247 -12.478 -6.144 265 HD3 ARG 32 2HD ARG 32 -0.139 -13.357 -6.785 266 HE ARG 32 HE ARG 32 2.494 -13.219 -7.992 267 HH11 ARG 32 1HH2 ARG 32 -0.900 -13.499 -8.597 268 HH12 ARG 32 2HH2 ARG 32 -0.686 -14.334 -10.099 269 HH21 ARG 32 1HH1 ARG 32 2.772 -14.307 -9.938 270 HH22 ARG 32 2HH1 ARG 32 1.386 -14.790 -10.857 271 H HIS 33 H HIS 33 1.887 -8.469 -10.225 272 HA HIS 33 HA HIS 33 -0.413 -8.852 -12.087 273 HB2 HIS 33 1HB HIS 33 2.295 -7.539 -12.447 274 HB3 HIS 33 2HB HIS 33 1.120 -7.744 -13.746 275 HD1 HIS 33 HD1 HIS 33 1.698 -5.854 -10.544 276 HD2 HIS 33 HD2 HIS 33 -1.150 -6.046 -13.581 277 HE1 HIS 33 HE1 HIS 33 0.160 -3.870 -10.210 278 H SER 34 H SER 34 -0.487 -10.626 -13.334 279 HA SER 34 HA SER 34 1.557 -12.684 -13.117 280 HB2 SER 34 1HB SER 34 0.078 -13.936 -14.657 281 HB3 SER 34 2HB SER 34 -0.841 -13.236 -13.326 282 HG SER 34 HG SER 34 -1.827 -11.963 -14.690 283 H ASP 35 H ASP 35 1.294 -9.910 -14.983 284 HA ASP 35 HA ASP 35 2.665 -11.049 -17.358 285 HB2 ASP 35 1HB ASP 35 1.668 -8.261 -16.718 286 HB3 ASP 35 2HB ASP 35 2.448 -8.713 -18.235 287 H ASN 36 H ASN 36 3.477 -9.698 -14.355 288 HA ASN 36 HA ASN 36 6.147 -8.758 -15.360 289 HB2 ASN 36 1HB ASN 36 4.742 -7.119 -14.065 290 HB3 ASN 36 2HB ASN 36 4.822 -8.215 -12.685 291 HD21 ASN 36 2HD2 ASN 36 5.931 -5.546 -12.617 292 HD22 ASN 36 1HD2 ASN 36 7.616 -5.689 -12.466 293 H ASP 37 H ASP 37 4.464 -10.947 -13.198 294 HA ASP 37 HA ASP 37 5.226 -12.734 -11.893 295 HB2 ASP 37 1HB ASP 37 5.976 -13.382 -14.231 296 HB3 ASP 37 2HB ASP 37 7.578 -12.785 -13.798 297 H LYS 38 H LYS 38 6.118 -9.980 -11.238 298 HA LYS 38 HA LYS 38 7.934 -10.709 -9.135 299 HB2 LYS 38 1HB LYS 38 9.602 -10.685 -10.916 300 HB3 LYS 38 2HB LYS 38 9.090 -9.073 -11.407 301 HG2 LYS 38 1HG LYS 38 11.121 -8.936 -10.032 302 HG3 LYS 38 2HG LYS 38 9.773 -8.195 -9.174 303 HD2 LYS 38 1HD LYS 38 9.542 -10.037 -7.703 304 HD3 LYS 38 2HD LYS 38 10.474 -11.106 -8.754 305 HE2 LYS 38 1HE LYS 38 12.500 -9.786 -8.286 306 HE3 LYS 38 2HE LYS 38 11.558 -8.714 -7.246 307 HZ1 LYS 38 3HZ LYS 38 12.078 -11.606 -6.845 308 HZ2 LYS 38 1HZ LYS 38 10.957 -10.720 -5.930 309 HZ3 LYS 38 2HZ LYS 38 12.607 -10.317 -5.872 310 H TRP 39 H TRP 39 7.005 -9.493 -7.566 311 HA TRP 39 HA TRP 39 7.132 -6.619 -7.610 312 HB2 TRP 39 1HB TRP 39 4.318 -6.827 -7.310 313 HB3 TRP 39 2HB TRP 39 5.173 -6.102 -8.669 314 HD1 TRP 39 HD1 TRP 39 3.926 -6.928 -10.693 315 HE1 TRP 39 HE1 TRP 39 3.283 -9.222 -11.653 316 HE3 TRP 39 HE3 TRP 39 5.278 -9.927 -6.796 317 HZ2 TRP 39 HZ2 TRP 39 3.321 -11.971 -10.866 318 HZ3 TRP 39 HZ3 TRP 39 4.967 -12.376 -6.927 319 HH2 TRP 39 HH2 TRP 39 3.996 -13.406 -8.957 320 H TYR 40 H TYR 40 5.396 -5.843 -5.753 321 HA TYR 40 HA TYR 40 5.005 -7.829 -3.675 322 HB2 TYR 40 1HB TYR 40 7.512 -7.037 -3.595 323 HB3 TYR 40 2HB TYR 40 6.841 -5.571 -2.883 324 HD1 TYR 40 HD2 TYR 40 6.466 -9.289 -2.597 325 HD2 TYR 40 HD1 TYR 40 6.645 -5.516 -0.550 326 HE1 TYR 40 HE2 TYR 40 6.258 -10.458 -0.426 327 HE2 TYR 40 HE1 TYR 40 6.442 -6.687 1.623 328 HH TYR 40 HH TYR 40 6.259 -8.638 2.642 329 H ALA 41 H ALA 41 3.082 -7.258 -2.880 330 HA ALA 41 HA ALA 41 2.581 -4.521 -1.977 331 HB1 ALA 41 3HB ALA 41 1.132 -5.689 -4.352 332 HB2 ALA 41 1HB ALA 41 1.845 -4.088 -4.177 333 HB3 ALA 41 2HB ALA 41 0.356 -4.488 -3.319 334 H LEU 42 H LEU 42 1.586 -4.794 -0.059 335 HA LEU 42 HA LEU 42 -0.426 -6.984 0.227 336 HB2 LEU 42 1HB LEU 42 0.551 -7.310 2.591 337 HB3 LEU 42 2HB LEU 42 1.446 -8.012 1.244 338 HG LEU 42 HG LEU 42 2.151 -5.195 2.001 339 HD11 LEU 42 1HD1 LEU 42 3.645 -5.960 3.803 340 HD12 LEU 42 2HD1 LEU 42 3.016 -7.598 3.633 341 HD13 LEU 42 3HD1 LEU 42 1.960 -6.304 4.198 342 HD21 LEU 42 3HD2 LEU 42 3.977 -7.545 1.460 343 HD22 LEU 42 1HD2 LEU 42 4.302 -5.829 1.218 344 HD23 LEU 42 2HD2 LEU 42 3.195 -6.678 0.143 345 H LEU 43 H LEU 43 -2.031 -6.537 1.745 346 HA LEU 43 HA LEU 43 -2.008 -3.808 2.966 347 HB2 LEU 43 1HB LEU 43 -3.454 -3.910 0.910 348 HB3 LEU 43 2HB LEU 43 -4.424 -5.146 1.704 349 HG LEU 43 HG LEU 43 -3.885 -2.457 2.991 350 HD11 LEU 43 1HD1 LEU 43 -6.137 -3.209 1.120 351 HD12 LEU 43 2HD1 LEU 43 -4.928 -1.948 0.885 352 HD13 LEU 43 3HD1 LEU 43 -6.138 -1.779 2.153 353 HD21 LEU 43 3HD2 LEU 43 -4.825 -3.689 4.690 354 HD22 LEU 43 1HD2 LEU 43 -5.621 -4.818 3.595 355 HD23 LEU 43 2HD2 LEU 43 -6.325 -3.231 3.895 356 H MET 44 H MET 44 -2.232 -3.967 5.109 357 HA MET 44 HA MET 44 -4.068 -5.974 6.268 358 HB2 MET 44 1HB MET 44 -2.044 -6.525 7.930 359 HB3 MET 44 2HB MET 44 -2.268 -7.429 6.432 360 HG2 MET 44 1HG MET 44 0.076 -6.684 6.723 361 HG3 MET 44 2HG MET 44 -0.660 -5.980 5.285 362 HE1 MET 44 3HE MET 44 1.485 -4.255 5.431 363 HE2 MET 44 1HE MET 44 1.930 -5.148 6.892 364 HE3 MET 44 2HE MET 44 1.874 -3.386 6.913 365 H ASP 45 H ASP 45 -4.354 -5.629 8.600 366 HA ASP 45 HA ASP 45 -4.121 -2.749 9.283 367 HB2 ASP 45 1HB ASP 45 -5.792 -3.269 11.028 368 HB3 ASP 45 2HB ASP 45 -6.355 -3.735 9.425 369 H ILE 46 H ILE 46 -2.395 -2.202 10.432 370 HA ILE 46 HA ILE 46 -1.354 -4.133 12.461 371 HB ILE 46 HB ILE 46 0.832 -2.903 12.180 372 HG12 ILE 46 1HG1 ILE 46 -0.425 -1.881 9.624 373 HG13 ILE 46 2HG1 ILE 46 -0.326 -0.895 11.084 374 HG21 ILE 46 1HG2 ILE 46 1.340 -4.040 10.010 375 HG22 ILE 46 2HG2 ILE 46 -0.387 -4.332 9.805 376 HG23 ILE 46 3HG2 ILE 46 0.478 -5.070 11.152 377 HD11 ILE 46 3HD1 ILE 46 1.613 -0.402 9.701 378 HD12 ILE 46 1HD1 ILE 46 1.997 -2.118 9.564 379 HD13 ILE 46 2HD1 ILE 46 2.155 -1.300 11.118 380 HA PRO 47 HA PRO 47 -2.406 -1.184 15.586 381 HB2 PRO 47 1HB PRO 47 -0.285 -1.587 17.356 382 HB3 PRO 47 2HB PRO 47 -1.727 -2.615 17.252 383 HG2 PRO 47 1HG PRO 47 0.974 -3.027 16.069 384 HG3 PRO 47 2HG PRO 47 -0.123 -4.208 16.799 385 HD2 PRO 47 1HD PRO 47 0.158 -3.997 14.128 386 HD3 PRO 47 2HD PRO 47 -1.407 -4.406 14.863 387 H ALA 48 H ALA 48 -1.996 0.931 16.111 388 HA ALA 48 HA ALA 48 -0.178 2.430 14.523 389 HB1 ALA 48 3HB ALA 48 -1.243 3.471 17.130 390 HB2 ALA 48 1HB ALA 48 -2.339 3.167 15.785 391 HB3 ALA 48 2HB ALA 48 -1.023 4.322 15.602 392 H GLU 49 H GLU 49 0.248 0.738 17.483 393 HA GLU 49 HA GLU 49 2.353 2.229 18.680 394 HB2 GLU 49 1HB GLU 49 1.775 -0.743 18.700 395 HB3 GLU 49 2HB GLU 49 2.979 0.027 19.734 396 HG2 GLU 49 1HG GLU 49 1.254 1.435 20.747 397 HG3 GLU 49 2HG GLU 49 0.037 0.762 19.666 398 H LYS 50 H LYS 50 2.420 -0.278 16.170 399 HA LYS 50 HA LYS 50 5.265 -0.595 16.049 400 HB2 LYS 50 1HB LYS 50 3.061 -1.031 14.034 401 HB3 LYS 50 2HB LYS 50 4.749 -1.389 13.666 402 HG2 LYS 50 1HG LYS 50 4.861 -2.935 15.559 403 HG3 LYS 50 2HG LYS 50 3.204 -2.540 16.009 404 HD2 LYS 50 1HD LYS 50 2.405 -3.414 13.837 405 HD3 LYS 50 2HD LYS 50 4.065 -3.805 13.387 406 HE2 LYS 50 1HE LYS 50 4.225 -5.347 15.309 407 HE3 LYS 50 2HE LYS 50 2.565 -4.959 15.759 408 HZ1 LYS 50 3HZ LYS 50 3.150 -5.910 13.038 409 HZ2 LYS 50 1HZ LYS 50 1.718 -6.044 13.937 410 HZ3 LYS 50 2HZ LYS 50 3.050 -7.031 14.311 411 H ILE 51 H ILE 51 3.100 1.559 14.227 412 HA ILE 51 HA ILE 51 5.318 2.711 12.720 413 HB ILE 51 HB ILE 51 3.490 4.458 12.094 414 HG12 ILE 51 1HG1 ILE 51 1.826 2.341 13.490 415 HG13 ILE 51 2HG1 ILE 51 1.968 4.029 13.976 416 HG21 ILE 51 1HG2 ILE 51 2.987 1.536 11.441 417 HG22 ILE 51 2HG2 ILE 51 4.240 2.520 10.685 418 HG23 ILE 51 3HG2 ILE 51 2.543 2.927 10.450 419 HD11 ILE 51 3HD1 ILE 51 -0.070 3.904 12.755 420 HD12 ILE 51 1HD1 ILE 51 0.651 2.883 11.514 421 HD13 ILE 51 2HD1 ILE 51 1.093 4.584 11.618 422 H GLY 52 H GLY 52 4.909 2.855 15.811 423 HA2 GLY 52 1HA GLY 52 5.625 4.325 17.476 424 HA3 GLY 52 2HA GLY 52 6.460 5.203 16.200 425 H ILE 53 H ILE 53 2.955 4.759 16.243 426 HA ILE 53 HA ILE 53 2.692 7.724 16.531 427 HB ILE 53 HB ILE 53 0.887 5.617 15.347 428 HG12 ILE 53 1HG1 ILE 53 2.160 8.148 14.250 429 HG13 ILE 53 2HG1 ILE 53 2.736 6.509 13.957 430 HG21 ILE 53 1HG2 ILE 53 -0.618 7.053 16.545 431 HG22 ILE 53 2HG2 ILE 53 -0.655 7.610 14.875 432 HG23 ILE 53 3HG2 ILE 53 0.282 8.496 16.077 433 HD11 ILE 53 3HD1 ILE 53 0.236 6.142 13.128 434 HD12 ILE 53 1HD1 ILE 53 1.447 6.840 12.056 435 HD13 ILE 53 2HD1 ILE 53 0.301 7.884 12.892 436 H ASN 54 H ASN 54 1.877 8.562 18.321 437 HA ASN 54 HA ASN 54 1.381 7.078 20.662 438 HB2 ASN 54 1HB ASN 54 0.350 9.178 21.540 439 HB3 ASN 54 2HB ASN 54 1.906 9.445 20.760 440 HD21 ASN 54 2HD2 ASN 54 0.863 11.752 20.662 441 HD22 ASN 54 1HD2 ASN 54 -0.054 12.105 19.278 442 H GLY 55 H GLY 55 -0.025 5.353 19.919 443 HA2 GLY 55 1HA GLY 55 -2.760 5.768 20.628 444 HA3 GLY 55 2HA GLY 55 -2.632 5.698 18.870 445 H ASP 56 H ASP 56 -3.923 3.786 20.670 446 HA ASP 56 HA ASP 56 -2.275 1.329 20.167 447 HB2 ASP 56 1HB ASP 56 -4.393 1.953 22.247 448 HB3 ASP 56 2HB ASP 56 -3.813 0.315 21.937 449 H LYS 57 H LYS 57 -4.387 3.009 18.565 450 HA LYS 57 HA LYS 57 -6.506 0.994 18.146 451 HB2 LYS 57 1HB LYS 57 -7.352 2.661 16.470 452 HB3 LYS 57 2HB LYS 57 -7.190 3.307 18.103 453 HG2 LYS 57 1HG LYS 57 -5.112 4.403 17.545 454 HG3 LYS 57 2HG LYS 57 -5.049 3.600 15.977 455 HD2 LYS 57 1HD LYS 57 -5.855 5.846 15.603 456 HD3 LYS 57 2HD LYS 57 -7.218 4.751 15.391 457 HE2 LYS 57 1HE LYS 57 -8.150 5.323 17.498 458 HE3 LYS 57 2HE LYS 57 -6.652 6.073 18.049 459 HZ1 LYS 57 3HZ LYS 57 -7.214 7.986 17.106 460 HZ2 LYS 57 1HZ LYS 57 -8.768 7.344 16.885 461 HZ3 LYS 57 2HZ LYS 57 -7.623 7.244 15.634 462 H ARG 58 H ARG 58 -6.920 0.044 16.072 463 HA ARG 58 HA ARG 58 -4.453 -0.669 14.641 464 HB2 ARG 58 1HB ARG 58 -7.319 -1.595 14.338 465 HB3 ARG 58 2HB ARG 58 -5.960 -2.246 13.419 466 HG2 ARG 58 1HG ARG 58 -4.854 -2.908 15.531 467 HG3 ARG 58 2HG ARG 58 -6.221 -2.266 16.442 468 HD2 ARG 58 1HD ARG 58 -6.496 -4.435 14.344 469 HD3 ARG 58 2HD ARG 58 -6.297 -4.768 16.063 470 HE ARG 58 HE ARG 58 -8.456 -2.955 15.797 471 HH11 ARG 58 1HH2 ARG 58 -7.568 -6.183 14.937 472 HH12 ARG 58 2HH2 ARG 58 -9.195 -6.774 14.980 473 HH21 ARG 58 1HH1 ARG 58 -10.570 -3.720 15.858 474 HH22 ARG 58 2HH1 ARG 58 -10.892 -5.383 15.500 475 H VAL 59 H VAL 59 -3.985 -0.141 12.532 476 HA VAL 59 HA VAL 59 -5.932 1.576 11.050 477 HB VAL 59 HB VAL 59 -4.033 3.010 10.337 478 HG11 VAL 59 1HG1 VAL 59 -4.263 2.877 13.352 479 HG12 VAL 59 2HG1 VAL 59 -5.539 3.514 12.315 480 HG13 VAL 59 3HG1 VAL 59 -3.962 4.305 12.360 481 HG21 VAL 59 3HG2 VAL 59 -1.973 2.857 11.901 482 HG22 VAL 59 1HG2 VAL 59 -2.105 1.638 10.632 483 HG23 VAL 59 2HG2 VAL 59 -2.544 1.238 12.293 484 H ASP 60 H ASP 60 -5.684 1.502 8.766 485 HA ASP 60 HA ASP 60 -4.555 -1.054 7.809 486 HB2 ASP 60 1HB ASP 60 -6.292 1.047 6.511 487 HB3 ASP 60 2HB ASP 60 -5.708 -0.387 5.665 488 H VAL 61 H VAL 61 -2.840 -1.226 6.416 489 HA VAL 61 HA VAL 61 -1.630 1.286 5.348 490 HB VAL 61 HB VAL 61 0.607 0.516 6.008 491 HG11 VAL 61 1HG1 VAL 61 -1.198 0.478 8.431 492 HG12 VAL 61 2HG1 VAL 61 -0.878 1.944 7.511 493 HG13 VAL 61 3HG1 VAL 61 0.446 1.102 8.313 494 HG21 VAL 61 3HG2 VAL 61 0.748 -1.367 7.674 495 HG22 VAL 61 1HG2 VAL 61 0.272 -1.885 6.059 496 HG23 VAL 61 2HG2 VAL 61 -0.942 -1.734 7.330 497 H ILE 62 H ILE 62 -0.278 0.961 3.533 498 HA ILE 62 HA ILE 62 -0.420 -1.734 2.245 499 HB ILE 62 HB ILE 62 -0.864 -0.536 0.059 500 HG12 ILE 62 1HG1 ILE 62 -1.696 1.729 1.900 501 HG13 ILE 62 2HG1 ILE 62 -0.208 1.734 0.952 502 HG21 ILE 62 1HG2 ILE 62 -3.307 -0.241 0.585 503 HG22 ILE 62 2HG2 ILE 62 -2.906 -0.445 2.291 504 HG23 ILE 62 3HG2 ILE 62 -2.622 -1.760 1.155 505 HD11 ILE 62 3HD1 ILE 62 -1.448 1.622 -1.121 506 HD12 ILE 62 1HD1 ILE 62 -2.135 2.929 -0.159 507 HD13 ILE 62 2HD1 ILE 62 -2.965 1.376 -0.258 508 H ASP 63 H ASP 63 1.304 -2.204 0.876 509 HA ASP 63 HA ASP 63 3.762 -0.708 1.434 510 HB2 ASP 63 1HB ASP 63 3.085 -3.212 -0.094 511 HB3 ASP 63 2HB ASP 63 4.684 -2.485 -0.260 512 H LEU 64 H LEU 64 4.965 0.515 -0.008 513 HA LEU 64 HA LEU 64 3.822 0.947 -2.733 514 HB2 LEU 64 1HB LEU 64 3.326 2.765 -0.847 515 HB3 LEU 64 2HB LEU 64 4.972 3.272 -1.215 516 HG LEU 64 HG LEU 64 3.455 4.544 -2.614 517 HD11 LEU 64 1HD1 LEU 64 4.539 2.420 -4.456 518 HD12 LEU 64 2HD1 LEU 64 5.624 3.503 -3.583 519 HD13 LEU 64 3HD1 LEU 64 4.447 4.157 -4.719 520 HD21 LEU 64 3HD2 LEU 64 1.741 2.423 -2.486 521 HD22 LEU 64 1HD2 LEU 64 2.407 2.168 -4.100 522 HD23 LEU 64 2HD2 LEU 64 1.613 3.689 -3.703 523 H LYS 65 H LYS 65 5.341 0.713 -4.245 524 HA LYS 65 HA LYS 65 8.140 0.341 -3.480 525 HB2 LYS 65 1HB LYS 65 6.978 -1.063 -5.192 526 HB3 LYS 65 2HB LYS 65 6.896 0.353 -6.237 527 HG2 LYS 65 1HG LYS 65 9.327 0.527 -6.259 528 HG3 LYS 65 2HG LYS 65 9.461 -0.807 -5.114 529 HD2 LYS 65 1HD LYS 65 8.386 -2.315 -6.762 530 HD3 LYS 65 2HD LYS 65 8.302 -0.980 -7.912 531 HE2 LYS 65 1HE LYS 65 10.855 -2.086 -6.705 532 HE3 LYS 65 2HE LYS 65 10.275 -2.418 -8.335 533 HZ1 LYS 65 3HZ LYS 65 10.338 0.377 -7.763 534 HZ2 LYS 65 1HZ LYS 65 11.033 -0.475 -9.055 535 HZ3 LYS 65 2HZ LYS 65 11.870 -0.336 -7.582 536 H VAL 66 H VAL 66 9.781 1.754 -3.800 537 HA VAL 66 HA VAL 66 9.404 4.115 -5.546 538 HB VAL 66 HB VAL 66 10.240 5.629 -3.740 539 HG11 VAL 66 1HG1 VAL 66 7.702 4.274 -2.836 540 HG12 VAL 66 2HG1 VAL 66 7.757 5.201 -4.336 541 HG13 VAL 66 3HG1 VAL 66 8.111 5.988 -2.799 542 HG21 VAL 66 3HG2 VAL 66 9.884 3.102 -2.113 543 HG22 VAL 66 1HG2 VAL 66 9.837 4.696 -1.369 544 HG23 VAL 66 2HG2 VAL 66 11.293 4.156 -2.200 545 H GLN 67 H GLN 67 11.426 5.205 -5.997 546 HA GLN 67 HA GLN 67 13.680 3.314 -5.989 547 HB2 GLN 67 1HB GLN 67 13.003 5.846 -7.457 548 HB3 GLN 67 2HB GLN 67 14.694 5.348 -7.371 549 HG2 GLN 67 1HG GLN 67 14.127 3.169 -8.330 550 HG3 GLN 67 2HG GLN 67 12.418 3.600 -8.352 551 HE21 GLN 67 2HE2 GLN 67 13.859 6.463 -9.057 552 HE22 GLN 67 1HE2 GLN 67 13.935 6.350 -10.749 553 HA PRO 68 HA PRO 68 16.046 4.997 -2.639 554 HB2 PRO 68 1HB PRO 68 18.219 5.613 -4.607 555 HB3 PRO 68 2HB PRO 68 18.302 4.696 -3.091 556 HG2 PRO 68 1HG PRO 68 18.294 3.524 -5.536 557 HG3 PRO 68 2HG PRO 68 17.640 2.747 -4.085 558 HD2 PRO 68 1HD PRO 68 16.188 3.832 -6.423 559 HD3 PRO 68 2HD PRO 68 15.648 2.673 -5.190 560 H GLU 69 H GLU 69 15.807 6.812 -5.631 561 HA GLU 69 HA GLU 69 16.459 9.371 -4.290 562 HB2 GLU 69 1HB GLU 69 17.274 8.909 -6.607 563 HB3 GLU 69 2HB GLU 69 15.595 8.834 -7.143 564 HG2 GLU 69 1HG GLU 69 15.226 11.145 -6.441 565 HG3 GLU 69 2HG GLU 69 16.865 11.235 -5.800 566 H LEU 70 H LEU 70 13.699 7.559 -5.466 567 HA LEU 70 HA LEU 70 11.864 9.854 -5.071 568 HB2 LEU 70 1HB LEU 70 11.313 6.986 -5.881 569 HB3 LEU 70 2HB LEU 70 10.142 8.301 -5.916 570 HG LEU 70 HG LEU 70 12.725 8.217 -7.510 571 HD11 LEU 70 1HD1 LEU 70 10.881 6.588 -8.182 572 HD12 LEU 70 2HD1 LEU 70 11.379 7.730 -9.430 573 HD13 LEU 70 3HD1 LEU 70 9.884 8.000 -8.535 574 HD21 LEU 70 3HD2 LEU 70 11.373 10.140 -8.718 575 HD22 LEU 70 1HD2 LEU 70 12.268 10.502 -7.244 576 HD23 LEU 70 2HD2 LEU 70 10.523 10.252 -7.176 577 H VAL 71 H VAL 71 13.216 7.403 -3.193 578 HA VAL 71 HA VAL 71 10.972 6.708 -1.534 579 HB VAL 71 HB VAL 71 13.154 5.458 -1.621 580 HG11 VAL 71 1HG1 VAL 71 14.449 7.739 -1.417 581 HG12 VAL 71 2HG1 VAL 71 15.112 6.299 -0.647 582 HG13 VAL 71 3HG1 VAL 71 14.245 7.495 0.318 583 HG21 VAL 71 3HG2 VAL 71 13.228 5.027 0.837 584 HG22 VAL 71 1HG2 VAL 71 11.586 5.039 0.199 585 HG23 VAL 71 2HG2 VAL 71 12.199 6.434 1.088 586 H GLY 72 H GLY 72 13.414 9.254 -1.348 587 HA2 GLY 72 1HA GLY 72 12.681 10.284 1.214 588 HA3 GLY 72 2HA GLY 72 13.501 11.198 -0.050 589 H SER 73 H SER 73 11.543 11.093 -2.057 590 HA SER 73 HA SER 73 9.848 13.269 -1.336 591 HB2 SER 73 1HB SER 73 10.289 12.935 -3.654 592 HB3 SER 73 2HB SER 73 9.765 11.257 -3.581 593 HG SER 73 HG SER 73 8.148 12.570 -4.477 594 H LEU 74 H LEU 74 9.097 9.821 -1.725 595 HA LEU 74 HA LEU 74 6.353 10.129 -0.828 596 HB2 LEU 74 1HB LEU 74 6.926 8.322 -2.311 597 HB3 LEU 74 2HB LEU 74 8.144 7.725 -1.189 598 HG LEU 74 HG LEU 74 5.450 7.970 0.036 599 HD11 LEU 74 1HD1 LEU 74 5.886 5.924 -2.159 600 HD12 LEU 74 2HD1 LEU 74 4.784 7.296 -2.247 601 HD13 LEU 74 3HD1 LEU 74 4.495 6.007 -1.080 602 HD21 LEU 74 3HD2 LEU 74 7.411 5.662 -0.213 603 HD22 LEU 74 1HD2 LEU 74 6.028 5.727 0.879 604 HD23 LEU 74 2HD2 LEU 74 7.382 6.835 1.101 605 H ARG 75 H ARG 75 9.377 9.118 0.680 606 HA ARG 75 HA ARG 75 8.197 8.345 3.202 607 HB2 ARG 75 1HB ARG 75 10.394 7.521 2.398 608 HB3 ARG 75 2HB ARG 75 11.046 9.146 2.590 609 HG2 ARG 75 1HG ARG 75 10.550 9.081 4.998 610 HG3 ARG 75 2HG ARG 75 9.847 7.474 4.819 611 HD2 ARG 75 1HD ARG 75 12.065 6.673 3.941 612 HD3 ARG 75 2HD ARG 75 12.737 8.256 4.337 613 HE ARG 75 HE ARG 75 11.404 7.029 6.605 614 HH11 ARG 75 1HH2 ARG 75 14.296 7.167 4.723 615 HH12 ARG 75 2HH2 ARG 75 15.316 6.652 6.024 616 HH21 ARG 75 1HH1 ARG 75 12.721 6.353 8.299 617 HH22 ARG 75 2HH1 ARG 75 14.427 6.192 8.045 618 H LYS 76 H LYS 76 9.695 11.352 2.042 619 HA LYS 76 HA LYS 76 9.625 12.614 4.652 620 HB2 LYS 76 1HB LYS 76 10.361 14.595 3.523 621 HB3 LYS 76 2HB LYS 76 11.144 13.240 2.716 622 HG2 LYS 76 1HG LYS 76 10.339 14.162 0.780 623 HG3 LYS 76 2HG LYS 76 8.791 13.468 1.256 624 HD2 LYS 76 1HD LYS 76 8.198 15.568 2.396 625 HD3 LYS 76 2HD LYS 76 9.761 16.254 1.954 626 HE2 LYS 76 1HE LYS 76 9.208 16.014 -0.429 627 HE3 LYS 76 2HE LYS 76 7.653 15.300 -0.002 628 HZ1 LYS 76 3HZ LYS 76 7.248 17.404 1.298 629 HZ2 LYS 76 1HZ LYS 76 7.235 17.562 -0.390 630 HZ3 LYS 76 2HZ LYS 76 8.594 18.062 0.498 631 H LYS 77 H LYS 77 7.181 11.792 2.542 632 HA LYS 77 HA LYS 77 5.523 14.159 2.876 633 HB2 LYS 77 1HB LYS 77 5.112 11.405 1.752 634 HB3 LYS 77 2HB LYS 77 3.717 12.443 2.036 635 HG2 LYS 77 1HG LYS 77 6.086 13.573 0.561 636 HG3 LYS 77 2HG LYS 77 4.986 12.500 -0.301 637 HD2 LYS 77 1HD LYS 77 3.079 13.974 0.444 638 HD3 LYS 77 2HD LYS 77 4.274 15.088 1.107 639 HE2 LYS 77 1HE LYS 77 4.312 14.183 -1.776 640 HE3 LYS 77 2HE LYS 77 3.448 15.623 -1.239 641 HZ1 LYS 77 3HZ LYS 77 6.326 15.114 -1.350 642 HZ2 LYS 77 1HZ LYS 77 5.746 16.113 -0.109 643 HZ3 LYS 77 2HZ LYS 77 5.457 16.524 -1.732 644 HA PRO 78 HA PRO 78 3.876 13.080 6.862 645 HB2 PRO 78 1HB PRO 78 1.454 14.365 6.776 646 HB3 PRO 78 2HB PRO 78 3.001 15.214 6.967 647 HG2 PRO 78 1HG PRO 78 1.341 14.841 4.511 648 HG3 PRO 78 2HG PRO 78 2.221 16.275 5.069 649 HD2 PRO 78 1HD PRO 78 3.197 14.610 3.127 650 HD3 PRO 78 2HD PRO 78 4.247 15.527 4.230 651 H GLY 79 H GLY 79 2.547 11.554 7.824 652 HA2 GLY 79 1HA GLY 79 0.775 9.972 7.986 653 HA3 GLY 79 2HA GLY 79 0.305 10.372 6.337 654 H ILE 80 H ILE 80 3.246 10.068 5.584 655 HA ILE 80 HA ILE 80 3.068 7.163 5.046 656 HB ILE 80 HB ILE 80 4.917 9.326 4.010 657 HG12 ILE 80 1HG1 ILE 80 3.671 8.695 1.857 658 HG13 ILE 80 2HG1 ILE 80 2.551 7.806 2.882 659 HG21 ILE 80 1HG2 ILE 80 4.829 6.348 3.515 660 HG22 ILE 80 2HG2 ILE 80 6.215 7.348 3.949 661 HG23 ILE 80 3HG2 ILE 80 5.512 7.470 2.338 662 HD11 ILE 80 3HD1 ILE 80 2.039 10.310 2.225 663 HD12 ILE 80 1HD1 ILE 80 3.141 10.677 3.550 664 HD13 ILE 80 2HD1 ILE 80 1.682 9.732 3.848 665 H TYR 81 H TYR 81 4.108 5.746 6.285 666 HA TYR 81 HA TYR 81 6.415 6.724 7.896 667 HB2 TYR 81 1HB TYR 81 4.402 4.558 8.482 668 HB3 TYR 81 2HB TYR 81 5.863 4.822 9.437 669 HD1 TYR 81 HD2 TYR 81 2.698 6.383 8.293 670 HD2 TYR 81 HD1 TYR 81 6.037 6.645 10.982 671 HE1 TYR 81 HE2 TYR 81 1.560 8.207 9.528 672 HE2 TYR 81 HE1 TYR 81 4.901 8.471 12.217 673 HH TYR 81 HH TYR 81 2.303 10.163 11.011 674 HA PRO 82 HA PRO 82 9.127 3.863 5.859 675 HB2 PRO 82 1HB PRO 82 10.177 3.109 8.555 676 HB3 PRO 82 2HB PRO 82 11.039 3.770 7.150 677 HG2 PRO 82 1HG PRO 82 10.545 5.290 9.258 678 HG3 PRO 82 2HG PRO 82 10.398 5.939 7.615 679 HD2 PRO 82 1HD PRO 82 8.220 5.044 9.482 680 HD3 PRO 82 2HD PRO 82 8.310 6.476 8.434 681 H ALA 83 H ALA 83 9.288 1.673 5.336 682 HA ALA 83 HA ALA 83 7.205 -0.061 6.359 683 HB1 ALA 83 3HB ALA 83 9.427 -0.404 4.354 684 HB2 ALA 83 1HB ALA 83 7.689 -0.346 4.065 685 HB3 ALA 83 2HB ALA 83 8.409 -1.763 4.830 686 H TYR 84 H TYR 84 7.372 -1.792 7.713 687 HA TYR 84 HA TYR 84 9.891 -2.026 9.276 688 HB2 TYR 84 1HB TYR 84 8.543 -3.137 10.948 689 HB3 TYR 84 2HB TYR 84 7.655 -1.712 10.421 690 HD1 TYR 84 HD2 TYR 84 5.636 -1.920 9.016 691 HD2 TYR 84 HD1 TYR 84 7.790 -5.385 10.371 692 HE1 TYR 84 HE2 TYR 84 3.703 -3.360 8.419 693 HE2 TYR 84 HE1 TYR 84 5.855 -6.818 9.777 694 HH TYR 84 HH TYR 84 3.568 -6.080 7.770 695 H HIS 85 H HIS 85 8.704 -3.311 6.545 696 HA HIS 85 HA HIS 85 9.274 -6.152 7.095 697 HB2 HIS 85 1HB HIS 85 8.536 -4.696 4.545 698 HB3 HIS 85 2HB HIS 85 8.728 -6.443 4.679 699 HD1 HIS 85 HD1 HIS 85 6.370 -3.674 5.415 700 HD2 HIS 85 HD2 HIS 85 6.731 -7.719 6.355 701 HE1 HIS 85 HE1 HIS 85 4.127 -4.398 6.341 702 H MET 86 H MET 86 10.473 -6.880 4.688 703 HA MET 86 HA MET 86 13.218 -6.614 5.240 704 HB2 MET 86 1HB MET 86 12.284 -8.366 3.784 705 HB3 MET 86 2HB MET 86 11.898 -7.155 2.565 706 HG2 MET 86 1HG MET 86 14.225 -6.659 2.205 707 HG3 MET 86 2HG MET 86 14.706 -7.622 3.600 708 HE1 MET 86 3HE MET 86 12.803 -7.516 0.378 709 HE2 MET 86 1HE MET 86 13.298 -8.954 -0.524 710 HE3 MET 86 2HE MET 86 14.452 -7.656 -0.227 711 H ASN 87 H ASN 87 14.879 -5.547 3.968 712 HA ASN 87 HA ASN 87 15.870 -3.501 3.393 713 HB2 ASN 87 1HB ASN 87 14.948 -2.586 1.231 714 HB3 ASN 87 2HB ASN 87 15.339 -4.304 1.189 715 HD21 ASN 87 2HD2 ASN 87 13.689 -5.647 0.439 716 HD22 ASN 87 1HD2 ASN 87 12.048 -5.219 0.367 717 H LYS 88 H LYS 88 14.968 -1.145 2.406 718 HA LYS 88 HA LYS 88 12.717 -0.190 4.060 719 HB2 LYS 88 1HB LYS 88 14.882 -0.118 5.456 720 HB3 LYS 88 2HB LYS 88 15.425 1.129 4.334 721 HG2 LYS 88 1HG LYS 88 13.473 2.506 4.868 722 HG3 LYS 88 2HG LYS 88 12.852 1.248 5.937 723 HD2 LYS 88 1HD LYS 88 14.917 1.460 7.326 724 HD3 LYS 88 2HD LYS 88 15.441 2.788 6.291 725 HE2 LYS 88 1HE LYS 88 13.361 4.026 6.873 726 HE3 LYS 88 2HE LYS 88 12.915 2.710 7.960 727 HZ1 LYS 88 3HZ LYS 88 14.133 3.667 9.515 728 HZ2 LYS 88 1HZ LYS 88 14.656 4.871 8.441 729 HZ3 LYS 88 2HZ LYS 88 15.525 3.417 8.574 730 H GLU 89 H GLU 89 15.046 0.187 1.511 731 HA GLU 89 HA GLU 89 13.904 2.797 0.672 732 HB2 GLU 89 1HB GLU 89 16.203 1.151 -0.418 733 HB3 GLU 89 2HB GLU 89 15.719 2.727 -1.041 734 HG2 GLU 89 1HG GLU 89 17.436 3.284 0.464 735 HG3 GLU 89 2HG GLU 89 15.986 3.523 1.438 736 H HIS 90 H HIS 90 13.675 -0.566 -0.054 737 HA HIS 90 HA HIS 90 12.767 -0.270 -2.798 738 HB2 HIS 90 1HB HIS 90 12.382 -2.552 -0.850 739 HB3 HIS 90 2HB HIS 90 12.106 -2.632 -2.590 740 HD1 HIS 90 HD1 HIS 90 14.743 -0.678 -3.000 741 HD2 HIS 90 HD2 HIS 90 14.570 -4.439 -1.209 742 HE1 HIS 90 HE1 HIS 90 17.079 -1.643 -3.136 743 H TRP 91 H TRP 91 10.910 -1.548 -0.018 744 HA TRP 91 HA TRP 91 8.471 -0.247 -1.188 745 HB2 TRP 91 1HB TRP 91 8.430 -2.478 0.837 746 HB3 TRP 91 2HB TRP 91 7.190 -2.015 -0.329 747 HD1 TRP 91 HD1 TRP 91 10.549 -3.815 -0.072 748 HE1 TRP 91 HE1 TRP 91 10.886 -5.245 -2.189 749 HE3 TRP 91 HE3 TRP 91 6.532 -2.278 -2.827 750 HZ2 TRP 91 HZ2 TRP 91 9.621 -5.683 -4.715 751 HZ3 TRP 91 HZ3 TRP 91 6.119 -3.224 -5.081 752 HH2 TRP 91 HH2 TRP 91 7.657 -4.920 -6.027 753 H ILE 92 H ILE 92 7.278 1.118 0.048 754 HA ILE 92 HA ILE 92 8.174 1.614 2.869 755 HB ILE 92 HB ILE 92 7.038 3.609 0.894 756 HG12 ILE 92 1HG1 ILE 92 9.292 2.923 0.237 757 HG13 ILE 92 2HG1 ILE 92 9.343 4.549 0.911 758 HG21 ILE 92 1HG2 ILE 92 6.481 4.312 3.101 759 HG22 ILE 92 2HG2 ILE 92 7.941 5.210 2.685 760 HG23 ILE 92 3HG2 ILE 92 8.045 3.799 3.737 761 HD11 ILE 92 3HD1 ILE 92 9.842 3.246 3.181 762 HD12 ILE 92 1HD1 ILE 92 11.135 3.565 2.026 763 HD13 ILE 92 2HD1 ILE 92 10.368 1.982 2.075 764 H THR 93 H THR 93 6.485 2.334 4.320 765 HA THR 93 HA THR 93 3.862 1.100 3.629 766 HB THR 93 HB THR 93 3.540 1.503 6.202 767 HG1 THR 93 HG1 THR 93 5.706 1.411 7.178 768 HG21 THR 93 3HG2 THR 93 4.961 -0.575 6.643 769 HG22 THR 93 1HG2 THR 93 5.437 -0.484 4.946 770 HG23 THR 93 2HG2 THR 93 3.745 -0.716 5.377 771 H VAL 94 H VAL 94 2.015 2.248 3.563 772 HA VAL 94 HA VAL 94 2.163 5.197 4.090 773 HB VAL 94 HB VAL 94 0.667 3.671 1.944 774 HG11 VAL 94 1HG1 VAL 94 0.450 6.530 2.899 775 HG12 VAL 94 2HG1 VAL 94 -0.845 5.356 2.674 776 HG13 VAL 94 3HG1 VAL 94 -0.033 6.051 1.272 777 HG21 VAL 94 3HG2 VAL 94 2.923 5.691 1.952 778 HG22 VAL 94 1HG2 VAL 94 1.982 5.334 0.505 779 HG23 VAL 94 2HG2 VAL 94 2.928 4.063 1.278 780 H LEU 95 H LEU 95 0.643 5.994 5.426 781 HA LEU 95 HA LEU 95 -1.183 4.100 6.723 782 HB2 LEU 95 1HB LEU 95 0.142 5.803 8.007 783 HB3 LEU 95 2HB LEU 95 -0.817 7.063 7.231 784 HG LEU 95 HG LEU 95 -2.881 6.008 8.153 785 HD11 LEU 95 1HD1 LEU 95 -2.226 4.431 10.218 786 HD12 LEU 95 2HD1 LEU 95 -0.862 4.044 9.171 787 HD13 LEU 95 3HD1 LEU 95 -2.512 3.777 8.606 788 HD21 LEU 95 3HD2 LEU 95 -1.622 7.862 9.323 789 HD22 LEU 95 1HD2 LEU 95 -0.852 6.625 10.320 790 HD23 LEU 95 2HD2 LEU 95 -2.598 6.856 10.393 791 H LEU 96 H LEU 96 -2.980 3.669 5.554 792 HA LEU 96 HA LEU 96 -4.280 5.528 3.779 793 HB2 LEU 96 1HB LEU 96 -5.219 2.980 5.118 794 HB3 LEU 96 2HB LEU 96 -6.196 3.862 3.947 795 HG LEU 96 HG LEU 96 -3.379 2.909 3.358 796 HD11 LEU 96 1HD1 LEU 96 -4.562 0.889 3.750 797 HD12 LEU 96 2HD1 LEU 96 -4.632 1.113 2.002 798 HD13 LEU 96 3HD1 LEU 96 -6.033 1.510 2.997 799 HD21 LEU 96 3HD2 LEU 96 -3.931 4.533 1.745 800 HD22 LEU 96 1HD2 LEU 96 -5.640 4.094 1.739 801 HD23 LEU 96 2HD2 LEU 96 -4.454 3.048 0.959 802 H ASN 97 H ASN 97 -4.794 4.583 7.139 803 HA ASN 97 HA ASN 97 -7.192 6.134 7.538 804 HB2 ASN 97 1HB ASN 97 -6.390 4.248 9.015 805 HB3 ASN 97 2HB ASN 97 -5.117 5.317 9.596 806 HD21 ASN 97 2HD2 ASN 97 -8.245 4.272 10.284 807 HD22 ASN 97 1HD2 ASN 97 -8.735 5.564 11.272 808 H GLY 98 H GLY 98 -4.024 7.000 6.960 809 HA2 GLY 98 1HA GLY 98 -3.769 9.312 8.680 810 HA3 GLY 98 2HA GLY 98 -2.774 8.949 7.274 811 HA PRO 99 HA PRO 99 -5.583 12.482 6.157 812 HB2 PRO 99 1HB PRO 99 -3.680 14.364 5.700 813 HB3 PRO 99 2HB PRO 99 -4.265 14.002 7.336 814 HG2 PRO 99 1HG PRO 99 -1.734 13.155 6.005 815 HG3 PRO 99 2HG PRO 99 -2.020 13.619 7.690 816 HD2 PRO 99 1HD PRO 99 -1.852 10.985 6.767 817 HD3 PRO 99 2HD PRO 99 -2.606 11.470 8.298 818 H LEU 100 H LEU 100 -3.973 10.279 4.620 819 HA LEU 100 HA LEU 100 -3.066 11.458 2.170 820 HB2 LEU 100 1HB LEU 100 -3.880 8.689 3.008 821 HB3 LEU 100 2HB LEU 100 -3.503 9.024 1.319 822 HG LEU 100 HG LEU 100 -1.544 8.207 2.682 823 HD11 LEU 100 1HD1 LEU 100 -1.511 9.954 0.635 824 HD12 LEU 100 2HD1 LEU 100 -0.040 9.490 1.485 825 HD13 LEU 100 3HD1 LEU 100 -0.836 11.010 1.880 826 HD21 LEU 100 3HD2 LEU 100 -0.588 9.567 4.374 827 HD22 LEU 100 1HD2 LEU 100 -2.312 9.521 4.741 828 HD23 LEU 100 2HD2 LEU 100 -1.612 10.943 3.964 829 H GLY 101 H GLY 101 -4.129 12.100 0.408 830 HA2 GLY 101 1HA GLY 101 -7.086 12.024 0.441 831 HA3 GLY 101 2HA GLY 101 -6.086 13.018 -0.615 832 H ALA 102 H ALA 102 -8.292 11.374 -1.415 833 HA ALA 102 HA ALA 102 -7.581 8.873 -2.546 834 HB1 ALA 102 3HB ALA 102 -9.555 10.996 -3.412 835 HB2 ALA 102 1HB ALA 102 -9.897 9.531 -2.492 836 HB3 ALA 102 2HB ALA 102 -9.448 9.420 -4.194 837 H LYS 103 H LYS 103 -7.489 12.122 -4.010 838 HA LYS 103 HA LYS 103 -6.373 11.268 -6.516 839 HB2 LYS 103 1HB LYS 103 -6.275 13.934 -5.083 840 HB3 LYS 103 2HB LYS 103 -5.716 13.684 -6.738 841 HG2 LYS 103 1HG LYS 103 -7.953 12.963 -7.418 842 HG3 LYS 103 2HG LYS 103 -8.523 13.096 -5.755 843 HD2 LYS 103 1HD LYS 103 -9.234 15.118 -6.761 844 HD3 LYS 103 2HD LYS 103 -7.773 15.566 -5.884 845 HE2 LYS 103 1HE LYS 103 -6.456 15.545 -7.895 846 HE3 LYS 103 2HE LYS 103 -7.759 14.793 -8.815 847 HZ1 LYS 103 3HZ LYS 103 -8.898 16.725 -8.965 848 HZ2 LYS 103 1HZ LYS 103 -7.335 17.377 -8.851 849 HZ3 LYS 103 2HZ LYS 103 -8.334 17.322 -7.478 850 H GLU 104 H GLU 104 -4.948 12.394 -3.487 851 HA GLU 104 HA GLU 104 -2.233 12.529 -4.355 852 HB2 GLU 104 1HB GLU 104 -3.386 11.877 -1.626 853 HB3 GLU 104 2HB GLU 104 -1.699 12.292 -1.926 854 HG2 GLU 104 1HG GLU 104 -4.053 14.079 -2.608 855 HG3 GLU 104 2HG GLU 104 -3.062 14.246 -1.158 856 H ILE 105 H ILE 105 -4.094 9.870 -2.892 857 HA ILE 105 HA ILE 105 -1.930 7.985 -2.846 858 HB ILE 105 HB ILE 105 -4.931 7.582 -2.968 859 HG12 ILE 105 1HG1 ILE 105 -2.998 7.234 -0.661 860 HG13 ILE 105 2HG1 ILE 105 -3.893 8.724 -0.955 861 HG21 ILE 105 1HG2 ILE 105 -4.275 5.263 -2.059 862 HG22 ILE 105 2HG2 ILE 105 -2.653 5.617 -2.655 863 HG23 ILE 105 3HG2 ILE 105 -4.010 5.544 -3.780 864 HD11 ILE 105 3HD1 ILE 105 -5.108 7.358 0.665 865 HD12 ILE 105 1HD1 ILE 105 -5.089 5.984 -0.440 866 HD13 ILE 105 2HD1 ILE 105 -6.022 7.426 -0.841 867 H HIS 106 H HIS 106 -4.468 8.649 -5.240 868 HA HIS 106 HA HIS 106 -3.850 6.563 -7.061 869 HB2 HIS 106 1HB HIS 106 -4.920 9.352 -7.560 870 HB3 HIS 106 2HB HIS 106 -4.886 8.080 -8.781 871 HD1 HIS 106 HD1 HIS 106 -7.640 8.879 -8.272 872 HD2 HIS 106 HD2 HIS 106 -5.739 6.199 -5.705 873 HE1 HIS 106 HE1 HIS 106 -9.476 7.623 -7.060 874 H SER 107 H SER 107 -2.528 9.854 -6.807 875 HA SER 107 HA SER 107 -0.852 9.705 -9.125 876 HB2 SER 107 1HB SER 107 0.376 11.589 -8.077 877 HB3 SER 107 2HB SER 107 -1.368 11.836 -8.012 878 HG SER 107 HG SER 107 -1.321 11.611 -5.904 879 H LEU 108 H LEU 108 -0.258 8.910 -5.716 880 HA LEU 108 HA LEU 108 2.520 8.248 -6.018 881 HB2 LEU 108 1HB LEU 108 0.444 7.297 -4.028 882 HB3 LEU 108 2HB LEU 108 2.166 6.943 -3.890 883 HG LEU 108 HG LEU 108 0.984 9.734 -4.027 884 HD11 LEU 108 1HD1 LEU 108 0.312 8.753 -1.938 885 HD12 LEU 108 2HD1 LEU 108 1.684 9.804 -1.594 886 HD13 LEU 108 3HD1 LEU 108 1.913 8.059 -1.682 887 HD21 LEU 108 3HD2 LEU 108 3.776 8.634 -3.881 888 HD22 LEU 108 1HD2 LEU 108 3.428 10.114 -2.983 889 HD23 LEU 108 2HD2 LEU 108 3.174 10.061 -4.725 890 H ILE 109 H ILE 109 -0.437 6.311 -6.254 891 HA ILE 109 HA ILE 109 0.853 3.778 -6.602 892 HB ILE 109 HB ILE 109 -1.843 4.791 -7.546 893 HG12 ILE 109 1HG1 ILE 109 -1.151 2.894 -5.287 894 HG13 ILE 109 2HG1 ILE 109 -1.357 4.630 -5.058 895 HG21 ILE 109 1HG2 ILE 109 -1.440 2.958 -8.973 896 HG22 ILE 109 2HG2 ILE 109 -2.292 2.218 -7.619 897 HG23 ILE 109 3HG2 ILE 109 -0.539 2.073 -7.742 898 HD11 ILE 109 3HD1 ILE 109 -3.652 4.501 -5.899 899 HD12 ILE 109 1HD1 ILE 109 -3.444 3.360 -4.571 900 HD13 ILE 109 2HD1 ILE 109 -3.454 2.782 -6.237 901 H GLU 110 H GLU 110 -0.231 6.234 -8.927 902 HA GLU 110 HA GLU 110 0.329 4.842 -11.324 903 HB2 GLU 110 1HB GLU 110 -0.795 7.074 -11.192 904 HB3 GLU 110 2HB GLU 110 0.762 7.796 -10.787 905 HG2 GLU 110 1HG GLU 110 1.697 7.027 -12.925 906 HG3 GLU 110 2HG GLU 110 0.163 6.258 -13.329 907 H ASP 111 H ASP 111 2.468 6.782 -9.260 908 HA ASP 111 HA ASP 111 4.804 6.601 -10.900 909 HB2 ASP 111 1HB ASP 111 4.427 6.932 -7.918 910 HB3 ASP 111 2HB ASP 111 6.017 6.966 -8.680 911 H SER 112 H SER 112 3.537 4.511 -8.332 912 HA SER 112 HA SER 112 5.729 2.697 -8.177 913 HB2 SER 112 1HB SER 112 3.646 2.855 -6.665 914 HB3 SER 112 2HB SER 112 2.837 1.877 -7.882 915 HG SER 112 HG SER 112 4.084 0.204 -7.390 916 H PHE 113 H PHE 113 2.897 2.758 -10.296 917 HA PHE 113 HA PHE 113 3.257 0.250 -11.576 918 HB2 PHE 113 1HB PHE 113 1.251 1.682 -11.849 919 HB3 PHE 113 2HB PHE 113 2.218 2.833 -12.768 920 HD1 PHE 113 HD2 PHE 113 1.151 -0.753 -12.724 921 HD2 PHE 113 HD1 PHE 113 2.490 2.567 -15.098 922 HE1 PHE 113 HE2 PHE 113 0.732 -2.061 -14.790 923 HE2 PHE 113 HE1 PHE 113 2.070 1.259 -17.163 924 HZ PHE 113 HZ PHE 113 1.191 -1.055 -17.009 925 H GLN 114 H GLN 114 4.583 3.456 -12.364 926 HA GLN 114 HA GLN 114 5.972 2.753 -14.742 927 HB2 GLN 114 1HB GLN 114 6.628 4.773 -12.588 928 HB3 GLN 114 2HB GLN 114 7.489 4.678 -14.126 929 HG2 GLN 114 1HG GLN 114 5.401 5.066 -15.346 930 HG3 GLN 114 2HG GLN 114 4.498 5.089 -13.832 931 HE21 GLN 114 2HE2 GLN 114 5.973 7.112 -16.086 932 HE22 GLN 114 1HE2 GLN 114 6.174 8.484 -15.108 933 H LEU 115 H LEU 115 7.072 2.674 -11.358 934 HA LEU 115 HA LEU 115 9.712 1.677 -11.918 935 HB2 LEU 115 1HB LEU 115 7.945 1.834 -9.496 936 HB3 LEU 115 2HB LEU 115 9.378 0.812 -9.415 937 HG LEU 115 HG LEU 115 10.807 2.698 -9.992 938 HD11 LEU 115 1HD1 LEU 115 9.486 3.972 -11.498 939 HD12 LEU 115 2HD1 LEU 115 9.677 5.003 -10.080 940 HD13 LEU 115 3HD1 LEU 115 8.170 4.126 -10.336 941 HD21 LEU 115 3HD2 LEU 115 8.793 3.183 -7.786 942 HD22 LEU 115 1HD2 LEU 115 10.191 4.231 -8.026 943 HD23 LEU 115 2HD2 LEU 115 10.423 2.524 -7.646 944 H THR 116 H THR 116 6.623 0.085 -11.283 945 HA THR 116 HA THR 116 7.871 -2.586 -11.397 946 HB THR 116 HB THR 116 5.579 -3.403 -10.989 947 HG1 THR 116 HG1 THR 116 5.016 -0.798 -11.737 948 HG21 THR 116 3HG2 THR 116 5.188 -2.238 -8.812 949 HG22 THR 116 1HG2 THR 116 6.392 -1.037 -9.277 950 HG23 THR 116 2HG2 THR 116 6.869 -2.718 -9.043 951 H ARG 117 H ARG 117 7.463 -0.464 -13.692 952 HA ARG 117 HA ARG 117 5.808 -1.830 -15.642 953 HB2 ARG 117 1HB ARG 117 6.472 0.652 -15.615 954 HB3 ARG 117 2HB ARG 117 8.024 0.130 -16.266 955 HG2 ARG 117 1HG ARG 117 6.837 -0.969 -18.154 956 HG3 ARG 117 2HG ARG 117 5.304 -0.380 -17.510 957 HD2 ARG 117 1HD ARG 117 7.617 1.406 -18.319 958 HD3 ARG 117 2HD ARG 117 6.211 1.073 -19.328 959 HE ARG 117 HE ARG 117 6.267 2.813 -16.969 960 HH11 ARG 117 1HH2 ARG 117 4.389 0.916 -19.167 961 HH12 ARG 117 2HH2 ARG 117 2.924 1.786 -18.858 962 HH21 ARG 117 1HH1 ARG 117 4.371 3.945 -16.569 963 HH22 ARG 117 2HH1 ARG 117 2.913 3.498 -17.389 964 H LEU 118 H LEU 118 7.417 -3.744 -14.589 965 HA LEU 118 HA LEU 118 8.961 -5.414 -15.103 966 HB2 LEU 118 1HB LEU 118 8.009 -4.477 -17.808 967 HB3 LEU 118 2HB LEU 118 9.212 -5.759 -17.675 968 HG LEU 118 HG LEU 118 7.654 -7.001 -16.162 969 HD11 LEU 118 1HD1 LEU 118 6.277 -5.301 -15.244 970 HD12 LEU 118 2HD1 LEU 118 5.212 -6.195 -16.327 971 HD13 LEU 118 3HD1 LEU 118 5.885 -4.646 -16.835 972 HD21 LEU 118 3HD2 LEU 118 6.219 -7.796 -17.932 973 HD22 LEU 118 1HD2 LEU 118 7.769 -7.360 -18.653 974 HD23 LEU 118 2HD2 LEU 118 6.386 -6.277 -18.815 975 H GLU 119 H GLU 119 11.051 -5.856 -16.414 976 HA GLU 119 HA GLU 119 12.798 -3.480 -16.046 977 HB2 GLU 119 1HB GLU 119 13.486 -6.398 -16.496 978 HB3 GLU 119 2HB GLU 119 14.639 -5.123 -16.119 979 HG2 GLU 119 1HG GLU 119 12.335 -5.957 -14.335 980 HG3 GLU 119 2HG GLU 119 14.016 -6.439 -14.113 981 H HIS 120 H HIS 120 14.858 -4.610 -17.778 982 HA HIS 120 HA HIS 120 15.632 -4.265 -19.939 983 HB2 HIS 120 1HB HIS 120 14.337 -6.318 -20.334 984 HB3 HIS 120 2HB HIS 120 12.891 -5.358 -20.646 985 HD1 HIS 120 HD1 HIS 120 16.442 -5.739 -21.994 986 HD2 HIS 120 HD2 HIS 120 12.664 -4.542 -23.284 987 HE1 HIS 120 HE1 HIS 120 16.642 -5.298 -24.480 988 H HIS 121 H HIS 121 15.790 -2.032 -19.924 989 HA HIS 121 HA HIS 121 13.487 -0.330 -20.498 990 HB2 HIS 121 1HB HIS 121 16.450 0.274 -20.326 991 HB3 HIS 121 2HB HIS 121 15.195 1.496 -20.528 992 HD1 HIS 121 HD1 HIS 121 13.318 1.521 -18.551 993 HD2 HIS 121 HD2 HIS 121 16.888 -0.446 -17.677 994 HE1 HIS 121 HE1 HIS 121 13.407 1.285 -16.031 995 H HIS 122 H HIS 122 12.952 0.578 -22.428 996 HA HIS 122 HA HIS 122 13.574 -0.657 -24.857 997 HB2 HIS 122 1HB HIS 122 12.821 1.640 -25.850 998 HB3 HIS 122 2HB HIS 122 11.673 0.711 -24.887 999 HD1 HIS 122 HD1 HIS 122 13.753 3.822 -24.820 1000 HD2 HIS 122 HD2 HIS 122 11.119 1.800 -22.299 1001 HE1 HIS 122 HE1 HIS 122 13.197 5.419 -22.934 1002 H HIS 123 H HIS 123 15.774 -0.976 -25.196 1003 HA HIS 123 HA HIS 123 17.234 1.371 -26.213 1004 HB2 HIS 123 1HB HIS 123 17.770 1.218 -23.747 1005 HB3 HIS 123 2HB HIS 123 18.500 -0.355 -24.073 1006 HD1 HIS 123 HD1 HIS 123 18.779 3.223 -25.389 1007 HD2 HIS 123 HD2 HIS 123 21.157 -0.152 -24.808 1008 HE1 HIS 123 HE1 HIS 123 21.138 3.892 -26.022 1009 H HIS 124 H HIS 124 18.720 0.816 -27.763 1010 HA HIS 124 HA HIS 124 19.479 -0.525 -29.542 1011 HB2 HIS 124 1HB HIS 124 21.205 -0.905 -27.840 1012 HB3 HIS 124 2HB HIS 124 20.257 -2.224 -27.155 1013 HD1 HIS 124 HD1 HIS 124 21.940 -1.270 -30.435 1014 HD2 HIS 124 HD2 HIS 124 20.694 -4.677 -28.382 1015 HE1 HIS 124 HE1 HIS 124 22.757 -3.254 -31.781 1016 H HIS 125 H HIS 125 19.163 -3.487 -27.818 1017 HA HIS 125 HA HIS 125 16.513 -4.126 -28.920 1018 HB2 HIS 125 1HB HIS 125 19.040 -5.457 -29.935 1019 HB3 HIS 125 2HB HIS 125 17.418 -6.093 -30.203 1020 HD1 HIS 125 HD1 HIS 125 19.682 -3.244 -31.168 1021 HD2 HIS 125 HD2 HIS 125 15.870 -4.652 -32.095 1022 HE1 HIS 125 HE1 HIS 125 18.914 -1.946 -33.203 Start of MODEL 11 1 H1 MET 1 1H MET 1 -7.032 8.220 2.093 2 H2 MET 1 2H MET 1 -8.504 8.300 2.940 3 H3 MET 1 3H MET 1 -8.279 9.223 1.531 4 HA MET 1 HA MET 1 -9.409 7.555 0.560 5 HB2 MET 1 1HB MET 1 -7.121 7.429 -0.363 6 HB3 MET 1 2HB MET 1 -6.678 6.275 0.894 7 HG2 MET 1 1HG MET 1 -8.341 4.684 0.062 8 HG3 MET 1 2HG MET 1 -8.882 5.849 -1.146 9 HE1 MET 1 3HE MET 1 -8.150 5.666 -3.498 10 HE2 MET 1 1HE MET 1 -6.435 5.856 -3.891 11 HE3 MET 1 2HE MET 1 -7.226 6.995 -2.802 12 H ASN 2 H ASN 2 -10.475 5.530 0.771 13 HA ASN 2 HA ASN 2 -10.366 4.376 3.530 14 HB2 ASN 2 1HB ASN 2 -12.539 5.303 2.714 15 HB3 ASN 2 2HB ASN 2 -12.520 4.110 1.415 16 HD21 ASN 2 2HD2 ASN 2 -14.304 2.833 2.150 17 HD22 ASN 2 1HD2 ASN 2 -14.276 1.969 3.611 18 H ARG 3 H ARG 3 -10.452 2.065 3.758 19 HA ARG 3 HA ARG 3 -8.712 0.609 2.034 20 HB2 ARG 3 1HB ARG 3 -9.179 0.036 4.419 21 HB3 ARG 3 2HB ARG 3 -10.798 -0.479 3.951 22 HG2 ARG 3 1HG ARG 3 -9.816 -2.169 2.434 23 HG3 ARG 3 2HG ARG 3 -8.200 -1.663 2.928 24 HD2 ARG 3 1HD ARG 3 -8.827 -2.208 5.299 25 HD3 ARG 3 2HD ARG 3 -10.343 -2.876 4.696 26 HE ARG 3 HE ARG 3 -7.682 -4.093 4.414 27 HH11 ARG 3 1HH2 ARG 3 -10.972 -3.917 3.377 28 HH12 ARG 3 2HH2 ARG 3 -10.985 -5.521 2.726 29 HH21 ARG 3 1HH1 ARG 3 -7.684 -6.178 3.561 30 HH22 ARG 3 2HH1 ARG 3 -9.126 -6.800 2.828 31 H GLN 4 H GLN 4 -12.260 0.649 2.296 32 HA GLN 4 HA GLN 4 -12.835 -1.386 0.418 33 HB2 GLN 4 1HB GLN 4 -14.482 -0.274 1.946 34 HB3 GLN 4 2HB GLN 4 -14.425 1.150 0.909 35 HG2 GLN 4 1HG GLN 4 -16.345 -0.184 0.267 36 HG3 GLN 4 2HG GLN 4 -15.140 -0.302 -1.015 37 HE21 GLN 4 2HE2 GLN 4 -14.925 -2.418 -1.739 38 HE22 GLN 4 1HE2 GLN 4 -15.074 -3.804 -0.771 39 H GLN 5 H GLN 5 -12.284 2.092 -0.084 40 HA GLN 5 HA GLN 5 -12.855 2.073 -2.894 41 HB2 GLN 5 1HB GLN 5 -11.123 3.920 -1.227 42 HB3 GLN 5 2HB GLN 5 -11.578 4.229 -2.903 43 HG2 GLN 5 1HG GLN 5 -13.568 3.785 -0.658 44 HG3 GLN 5 2HG GLN 5 -13.073 5.374 -1.240 45 HE21 GLN 5 2HE2 GLN 5 -15.581 3.284 -1.537 46 HE22 GLN 5 1HE2 GLN 5 -16.053 3.599 -3.137 47 H PHE 6 H PHE 6 -9.891 1.473 -1.051 48 HA PHE 6 HA PHE 6 -8.054 1.546 -3.219 49 HB2 PHE 6 1HB PHE 6 -7.405 1.413 -0.817 50 HB3 PHE 6 2HB PHE 6 -7.962 -0.261 -0.786 51 HD1 PHE 6 HD1 PHE 6 -5.530 2.065 -2.376 52 HD2 PHE 6 HD2 PHE 6 -6.625 -2.028 -1.666 53 HE1 PHE 6 HE1 PHE 6 -3.348 1.323 -3.293 54 HE2 PHE 6 HE2 PHE 6 -4.444 -2.769 -2.583 55 HZ PHE 6 HZ PHE 6 -2.805 -1.095 -3.396 56 H ILE 7 H ILE 7 -9.957 -1.169 -1.903 57 HA ILE 7 HA ILE 7 -8.947 -3.141 -3.715 58 HB ILE 7 HB ILE 7 -11.487 -2.897 -2.084 59 HG12 ILE 7 1HG1 ILE 7 -10.377 -5.047 -1.076 60 HG13 ILE 7 2HG1 ILE 7 -8.922 -4.491 -1.897 61 HG21 ILE 7 1HG2 ILE 7 -12.265 -4.171 -3.925 62 HG22 ILE 7 2HG2 ILE 7 -11.812 -5.375 -2.718 63 HG23 ILE 7 3HG2 ILE 7 -10.737 -5.039 -4.076 64 HD11 ILE 7 3HD1 ILE 7 -10.543 -2.851 0.070 65 HD12 ILE 7 1HD1 ILE 7 -9.038 -2.351 -0.699 66 HD13 ILE 7 2HD1 ILE 7 -9.038 -3.686 0.449 67 H ASP 8 H ASP 8 -11.814 -1.031 -3.868 68 HA ASP 8 HA ASP 8 -12.800 -2.000 -6.366 69 HB2 ASP 8 1HB ASP 8 -13.064 0.667 -4.958 70 HB3 ASP 8 2HB ASP 8 -13.895 0.308 -6.473 71 H TYR 9 H TYR 9 -10.454 0.519 -5.550 72 HA TYR 9 HA TYR 9 -10.135 1.514 -8.233 73 HB2 TYR 9 1HB TYR 9 -9.471 2.840 -6.293 74 HB3 TYR 9 2HB TYR 9 -8.287 1.617 -5.832 75 HD1 TYR 9 HD2 TYR 9 -6.234 1.291 -7.127 76 HD2 TYR 9 HD1 TYR 9 -9.097 4.308 -8.197 77 HE1 TYR 9 HE2 TYR 9 -4.558 2.355 -8.611 78 HE2 TYR 9 HE1 TYR 9 -7.421 5.373 -9.682 79 HH TYR 9 HH TYR 9 -4.495 3.831 -10.550 80 H ALA 10 H ALA 10 -8.320 -0.869 -6.295 81 HA ALA 10 HA ALA 10 -6.259 -1.377 -8.187 82 HB1 ALA 10 3HB ALA 10 -6.102 -2.170 -5.889 83 HB2 ALA 10 1HB ALA 10 -6.015 -3.556 -6.978 84 HB3 ALA 10 2HB ALA 10 -7.514 -3.203 -6.116 85 H GLN 11 H GLN 11 -9.335 -3.120 -7.669 86 HA GLN 11 HA GLN 11 -8.940 -4.955 -9.834 87 HB2 GLN 11 1HB GLN 11 -11.331 -5.465 -9.561 88 HB3 GLN 11 2HB GLN 11 -10.558 -5.323 -7.983 89 HG2 GLN 11 1HG GLN 11 -11.315 -2.944 -7.896 90 HG3 GLN 11 2HG GLN 11 -12.219 -3.213 -9.381 91 HE21 GLN 11 2HE2 GLN 11 -11.814 -4.954 -6.238 92 HE22 GLN 11 1HE2 GLN 11 -13.473 -5.254 -6.032 93 H LYS 12 H LYS 12 -10.262 -1.703 -9.671 94 HA LYS 12 HA LYS 12 -11.641 -1.683 -12.159 95 HB2 LYS 12 1HB LYS 12 -11.781 0.111 -10.424 96 HB3 LYS 12 2HB LYS 12 -10.147 0.614 -10.857 97 HG2 LYS 12 1HG LYS 12 -10.873 1.074 -13.156 98 HG3 LYS 12 2HG LYS 12 -12.502 0.522 -12.764 99 HD2 LYS 12 1HD LYS 12 -12.703 2.313 -11.073 100 HD3 LYS 12 2HD LYS 12 -11.081 2.876 -11.482 101 HE2 LYS 12 1HE LYS 12 -11.807 3.307 -13.798 102 HE3 LYS 12 2HE LYS 12 -13.429 2.738 -13.398 103 HZ1 LYS 12 3HZ LYS 12 -13.927 4.719 -12.583 104 HZ2 LYS 12 1HZ LYS 12 -12.421 5.300 -13.104 105 HZ3 LYS 12 2HZ LYS 12 -12.594 4.684 -11.529 106 H LYS 13 H LYS 13 -8.263 -0.755 -11.412 107 HA LYS 13 HA LYS 13 -7.695 -0.478 -14.296 108 HB2 LYS 13 1HB LYS 13 -6.042 -0.021 -11.808 109 HB3 LYS 13 2HB LYS 13 -5.406 0.173 -13.443 110 HG2 LYS 13 1HG LYS 13 -7.185 1.820 -13.933 111 HG3 LYS 13 2HG LYS 13 -7.796 1.643 -12.288 112 HD2 LYS 13 1HD LYS 13 -5.682 2.458 -11.378 113 HD3 LYS 13 2HD LYS 13 -4.994 2.554 -12.999 114 HE2 LYS 13 1HE LYS 13 -5.753 4.772 -12.274 115 HE3 LYS 13 2HE LYS 13 -6.732 4.205 -13.628 116 HZ1 LYS 13 3HZ LYS 13 -7.636 3.559 -10.924 117 HZ2 LYS 13 1HZ LYS 13 -8.542 3.897 -12.317 118 HZ3 LYS 13 2HZ LYS 13 -7.815 5.164 -11.451 119 H TYR 14 H TYR 14 -7.498 -3.010 -11.978 120 HA TYR 14 HA TYR 14 -5.700 -4.533 -13.841 121 HB2 TYR 14 1HB TYR 14 -5.562 -4.515 -10.815 122 HB3 TYR 14 2HB TYR 14 -4.631 -5.577 -11.870 123 HD1 TYR 14 HD1 TYR 14 -3.033 -4.545 -13.559 124 HD2 TYR 14 HD2 TYR 14 -4.864 -2.276 -10.403 125 HE1 TYR 14 HE1 TYR 14 -1.321 -2.772 -13.839 126 HE2 TYR 14 HE2 TYR 14 -3.152 -0.503 -10.685 127 HH TYR 14 HH TYR 14 -1.461 0.235 -11.945 128 H ASP 15 H ASP 15 -8.501 -4.517 -11.776 129 HA ASP 15 HA ASP 15 -10.149 -6.150 -11.419 130 HB2 ASP 15 1HB ASP 15 -9.992 -6.171 -13.975 131 HB3 ASP 15 2HB ASP 15 -8.967 -7.595 -13.800 132 H THR 16 H THR 16 -7.702 -6.407 -9.983 133 HA THR 16 HA THR 16 -7.266 -9.373 -9.898 134 HB THR 16 HB THR 16 -5.619 -7.061 -8.828 135 HG1 THR 16 HG1 THR 16 -4.498 -7.356 -10.574 136 HG21 THR 16 3HG2 THR 16 -5.355 -10.052 -8.499 137 HG22 THR 16 1HG2 THR 16 -5.351 -8.814 -7.243 138 HG23 THR 16 2HG2 THR 16 -3.973 -8.969 -8.333 139 H LYS 17 H LYS 17 -8.155 -10.455 -8.217 140 HA LYS 17 HA LYS 17 -9.481 -8.912 -6.093 141 HB2 LYS 17 1HB LYS 17 -9.509 -11.794 -6.971 142 HB3 LYS 17 2HB LYS 17 -10.184 -11.336 -5.406 143 HG2 LYS 17 1HG LYS 17 -11.641 -9.675 -6.551 144 HG3 LYS 17 2HG LYS 17 -11.007 -10.220 -8.105 145 HD2 LYS 17 1HD LYS 17 -11.765 -12.574 -7.396 146 HD3 LYS 17 2HD LYS 17 -12.686 -11.765 -6.126 147 HE2 LYS 17 1HE LYS 17 -13.037 -11.602 -9.108 148 HE3 LYS 17 2HE LYS 17 -14.254 -11.877 -7.862 149 HZ1 LYS 17 3HZ LYS 17 -14.070 -9.569 -8.979 150 HZ2 LYS 17 1HZ LYS 17 -12.765 -9.340 -7.919 151 HZ3 LYS 17 2HZ LYS 17 -14.314 -9.663 -7.301 152 HA PRO 18 HA PRO 18 -6.429 -9.377 -2.891 153 HB2 PRO 18 1HB PRO 18 -8.545 -10.711 -1.227 154 HB3 PRO 18 2HB PRO 18 -7.497 -9.337 -0.823 155 HG2 PRO 18 1HG PRO 18 -10.065 -8.987 -1.438 156 HG3 PRO 18 2HG PRO 18 -8.825 -7.826 -1.947 157 HD2 PRO 18 1HD PRO 18 -10.293 -9.852 -3.590 158 HD3 PRO 18 2HD PRO 18 -9.648 -8.258 -4.045 159 H ASP 19 H ASP 19 -4.927 -10.933 -2.306 160 HA ASP 19 HA ASP 19 -5.680 -13.824 -2.642 161 HB2 ASP 19 1HB ASP 19 -4.244 -12.844 -4.505 162 HB3 ASP 19 2HB ASP 19 -2.980 -12.617 -3.297 163 H HIS 20 H HIS 20 -5.424 -14.889 -0.753 164 HA HIS 20 HA HIS 20 -3.291 -13.960 1.151 165 HB2 HIS 20 1HB HIS 20 -4.772 -14.617 2.996 166 HB3 HIS 20 2HB HIS 20 -5.521 -13.371 2.000 167 HD1 HIS 20 HD1 HIS 20 -7.036 -14.593 -0.097 168 HD2 HIS 20 HD2 HIS 20 -6.556 -16.636 3.506 169 HE1 HIS 20 HE1 HIS 20 -8.916 -16.287 0.023 170 HA PRO 21 HA PRO 21 -2.383 -18.335 -0.134 171 HB2 PRO 21 1HB PRO 21 0.285 -17.453 0.904 172 HB3 PRO 21 2HB PRO 21 -0.114 -18.289 -0.611 173 HG2 PRO 21 1HG PRO 21 0.556 -15.699 -0.572 174 HG3 PRO 21 2HG PRO 21 -0.651 -16.333 -1.705 175 HD2 PRO 21 1HD PRO 21 -1.069 -14.731 0.795 176 HD3 PRO 21 2HD PRO 21 -1.992 -14.710 -0.725 177 H TRP 22 H TRP 22 -1.607 -16.513 2.777 178 HA TRP 22 HA TRP 22 -1.176 -18.918 4.395 179 HB2 TRP 22 1HB TRP 22 -1.559 -16.073 5.352 180 HB3 TRP 22 2HB TRP 22 -0.754 -17.395 6.199 181 HD1 TRP 22 HD1 TRP 22 1.254 -18.542 4.340 182 HE1 TRP 22 HE1 TRP 22 3.169 -17.179 3.283 183 HE3 TRP 22 HE3 TRP 22 -0.669 -13.829 4.777 184 HZ2 TRP 22 HZ2 TRP 22 3.803 -14.453 2.699 185 HZ3 TRP 22 HZ3 TRP 22 0.611 -11.870 3.962 186 HH2 TRP 22 HH2 TRP 22 2.844 -12.176 2.924 187 H GLU 23 H GLU 23 -2.658 -19.894 5.670 188 HA GLU 23 HA GLU 23 -5.475 -19.028 5.463 189 HB2 GLU 23 1HB GLU 23 -5.868 -21.207 6.723 190 HB3 GLU 23 2HB GLU 23 -5.122 -21.385 5.135 191 HG2 GLU 23 1HG GLU 23 -3.408 -21.127 7.604 192 HG3 GLU 23 2HG GLU 23 -4.088 -22.686 7.155 193 H LYS 24 H LYS 24 -2.839 -19.036 7.732 194 HA LYS 24 HA LYS 24 -4.503 -18.668 10.099 195 HB2 LYS 24 1HB LYS 24 -1.568 -17.989 9.809 196 HB3 LYS 24 2HB LYS 24 -2.441 -18.397 11.288 197 HG2 LYS 24 1HG LYS 24 -2.946 -20.655 10.214 198 HG3 LYS 24 2HG LYS 24 -1.767 -20.226 8.976 199 HD2 LYS 24 1HD LYS 24 -1.149 -20.237 11.939 200 HD3 LYS 24 2HD LYS 24 -0.825 -21.600 10.871 201 HE2 LYS 24 1HE LYS 24 0.517 -19.981 9.423 202 HE3 LYS 24 2HE LYS 24 0.387 -18.829 10.752 203 HZ1 LYS 24 3HZ LYS 24 2.165 -20.976 10.482 204 HZ2 LYS 24 1HZ LYS 24 1.160 -21.295 11.811 205 HZ3 LYS 24 2HZ LYS 24 2.053 -19.851 11.750 206 H PHE 25 H PHE 25 -3.823 -16.689 7.515 207 HA PHE 25 HA PHE 25 -4.395 -14.242 9.141 208 HB2 PHE 25 1HB PHE 25 -2.244 -14.574 7.040 209 HB3 PHE 25 2HB PHE 25 -2.820 -13.003 7.599 210 HD1 PHE 25 HD2 PHE 25 -2.625 -12.397 10.035 211 HD2 PHE 25 HD1 PHE 25 -0.757 -15.890 8.371 212 HE1 PHE 25 HE2 PHE 25 -1.154 -12.558 12.025 213 HE2 PHE 25 HE1 PHE 25 0.713 -16.051 10.363 214 HZ PHE 25 HZ PHE 25 0.514 -14.386 12.189 215 HA PRO 26 HA PRO 26 -7.078 -14.816 5.319 216 HB2 PRO 26 1HB PRO 26 -9.503 -14.691 6.620 217 HB3 PRO 26 2HB PRO 26 -8.615 -16.204 6.353 218 HG2 PRO 26 1HG PRO 26 -8.784 -14.521 8.810 219 HG3 PRO 26 2HG PRO 26 -8.773 -16.286 8.650 220 HD2 PRO 26 1HD PRO 26 -6.565 -14.843 9.385 221 HD3 PRO 26 2HD PRO 26 -6.457 -16.394 8.525 222 H ASP 27 H ASP 27 -6.892 -12.586 7.959 223 HA ASP 27 HA ASP 27 -8.568 -10.536 6.703 224 HB2 ASP 27 1HB ASP 27 -6.691 -10.502 9.085 225 HB3 ASP 27 2HB ASP 27 -7.652 -9.113 8.575 226 H TYR 28 H TYR 28 -5.495 -11.722 6.164 227 HA TYR 28 HA TYR 28 -4.284 -9.121 5.430 228 HB2 TYR 28 1HB TYR 28 -3.298 -11.970 5.562 229 HB3 TYR 28 2HB TYR 28 -2.389 -10.765 4.656 230 HD1 TYR 28 HD1 TYR 28 -4.276 -10.690 7.926 231 HD2 TYR 28 HD2 TYR 28 -0.556 -9.999 5.885 232 HE1 TYR 28 HE1 TYR 28 -3.292 -9.824 10.018 233 HE2 TYR 28 HE2 TYR 28 0.428 -9.138 7.990 234 HH TYR 28 HH TYR 28 -1.430 -9.142 11.024 235 H ALA 29 H ALA 29 -3.985 -8.460 3.338 236 HA ALA 29 HA ALA 29 -5.073 -10.212 1.153 237 HB1 ALA 29 3HB ALA 29 -5.720 -7.986 0.072 238 HB2 ALA 29 1HB ALA 29 -5.423 -7.245 1.645 239 HB3 ALA 29 2HB ALA 29 -6.682 -8.467 1.470 240 H VAL 30 H VAL 30 -3.499 -10.685 -0.268 241 HA VAL 30 HA VAL 30 -1.147 -8.836 -0.511 242 HB VAL 30 HB VAL 30 -1.262 -11.712 -1.450 243 HG11 VAL 30 1HG1 VAL 30 1.118 -11.559 -1.407 244 HG12 VAL 30 2HG1 VAL 30 1.080 -10.070 -0.466 245 HG13 VAL 30 3HG1 VAL 30 0.567 -10.059 -2.152 246 HG21 VAL 30 3HG2 VAL 30 -0.157 -12.269 0.736 247 HG22 VAL 30 1HG2 VAL 30 -1.840 -11.772 0.911 248 HG23 VAL 30 2HG2 VAL 30 -0.543 -10.643 1.297 249 H PHE 31 H PHE 31 -1.011 -7.732 -2.378 250 HA PHE 31 HA PHE 31 -2.631 -8.639 -4.733 251 HB2 PHE 31 1HB PHE 31 -1.657 -5.922 -3.830 252 HB3 PHE 31 2HB PHE 31 -2.246 -6.208 -5.467 253 HD1 PHE 31 HD2 PHE 31 -4.589 -7.047 -5.816 254 HD2 PHE 31 HD1 PHE 31 -3.162 -5.746 -1.979 255 HE1 PHE 31 HE2 PHE 31 -6.928 -6.836 -5.017 256 HE2 PHE 31 HE1 PHE 31 -5.500 -5.536 -1.181 257 HZ PHE 31 HZ PHE 31 -7.383 -6.080 -2.700 258 H ARG 32 H ARG 32 -1.396 -9.636 -6.249 259 HA ARG 32 HA ARG 32 1.218 -8.428 -6.983 260 HB2 ARG 32 1HB ARG 32 1.736 -10.214 -5.334 261 HB3 ARG 32 2HB ARG 32 0.897 -11.380 -6.357 262 HG2 ARG 32 1HG ARG 32 2.468 -10.949 -8.188 263 HG3 ARG 32 2HG ARG 32 3.282 -9.716 -7.224 264 HD2 ARG 32 1HD ARG 32 4.547 -11.800 -7.101 265 HD3 ARG 32 2HD ARG 32 3.827 -11.465 -5.525 266 HE ARG 32 HE ARG 32 2.041 -13.101 -7.056 267 HH11 ARG 32 1HH2 ARG 32 5.070 -13.128 -5.399 268 HH12 ARG 32 2HH2 ARG 32 4.982 -14.810 -4.998 269 HH21 ARG 32 1HH1 ARG 32 1.913 -15.292 -6.540 270 HH22 ARG 32 2HH1 ARG 32 3.195 -16.035 -5.643 271 H HIS 33 H HIS 33 1.526 -8.480 -9.161 272 HA HIS 33 HA HIS 33 -0.553 -9.860 -10.797 273 HB2 HIS 33 1HB HIS 33 1.412 -7.645 -11.433 274 HB3 HIS 33 2HB HIS 33 0.326 -8.372 -12.617 275 HD1 HIS 33 HD1 HIS 33 0.358 -6.138 -9.608 276 HD2 HIS 33 HD2 HIS 33 -2.435 -7.734 -12.259 277 HE1 HIS 33 HE1 HIS 33 -1.817 -4.912 -9.180 278 H SER 34 H SER 34 0.025 -11.811 -11.524 279 HA SER 34 HA SER 34 2.691 -12.832 -11.564 280 HB2 SER 34 1HB SER 34 0.320 -13.805 -13.179 281 HB3 SER 34 2HB SER 34 1.743 -14.741 -12.725 282 HG SER 34 HG SER 34 -0.134 -15.030 -11.348 283 H ASP 35 H ASP 35 0.715 -11.277 -14.066 284 HA ASP 35 HA ASP 35 2.533 -11.891 -16.228 285 HB2 ASP 35 1HB ASP 35 1.255 -10.155 -17.467 286 HB3 ASP 35 2HB ASP 35 0.190 -11.308 -16.662 287 H ASN 36 H ASN 36 2.879 -9.876 -13.581 288 HA ASN 36 HA ASN 36 4.765 -8.052 -15.042 289 HB2 ASN 36 1HB ASN 36 2.785 -7.041 -13.775 290 HB3 ASN 36 2HB ASN 36 3.584 -7.585 -12.301 291 HD21 ASN 36 2HD2 ASN 36 4.605 -5.899 -15.338 292 HD22 ASN 36 1HD2 ASN 36 5.526 -4.719 -14.539 293 H ASP 37 H ASP 37 4.350 -10.291 -12.368 294 HA ASP 37 HA ASP 37 5.885 -11.126 -10.790 295 HB2 ASP 37 1HB ASP 37 7.434 -11.123 -13.389 296 HB3 ASP 37 2HB ASP 37 8.037 -11.883 -11.915 297 H LYS 38 H LYS 38 5.931 -8.101 -11.413 298 HA LYS 38 HA LYS 38 8.475 -7.544 -9.949 299 HB2 LYS 38 1HB LYS 38 8.743 -7.030 -12.389 300 HB3 LYS 38 2HB LYS 38 7.385 -5.913 -12.265 301 HG2 LYS 38 1HG LYS 38 8.602 -4.592 -10.587 302 HG3 LYS 38 2HG LYS 38 9.957 -5.720 -10.674 303 HD2 LYS 38 1HD LYS 38 10.238 -5.198 -13.068 304 HD3 LYS 38 2HD LYS 38 8.895 -4.060 -12.976 305 HE2 LYS 38 1HE LYS 38 11.035 -2.864 -12.786 306 HE3 LYS 38 2HE LYS 38 10.136 -2.753 -11.273 307 HZ1 LYS 38 3HZ LYS 38 12.198 -4.817 -11.789 308 HZ2 LYS 38 1HZ LYS 38 11.469 -4.429 -10.307 309 HZ3 LYS 38 2HZ LYS 38 12.538 -3.331 -11.040 310 H TRP 39 H TRP 39 5.122 -6.982 -10.518 311 HA TRP 39 HA TRP 39 4.950 -4.495 -9.004 312 HB2 TRP 39 1HB TRP 39 3.270 -5.000 -10.713 313 HB3 TRP 39 2HB TRP 39 2.818 -6.479 -9.866 314 HD1 TRP 39 HD1 TRP 39 1.754 -6.144 -7.361 315 HE1 TRP 39 HE1 TRP 39 0.262 -4.246 -6.455 316 HE3 TRP 39 HE3 TRP 39 2.685 -2.544 -10.860 317 HZ2 TRP 39 HZ2 TRP 39 -0.443 -1.557 -7.126 318 HZ3 TRP 39 HZ3 TRP 39 1.592 -0.325 -10.702 319 HH2 TRP 39 HH2 TRP 39 0.030 0.173 -8.842 320 H TYR 40 H TYR 40 5.176 -4.443 -6.839 321 HA TYR 40 HA TYR 40 4.355 -6.841 -5.225 322 HB2 TYR 40 1HB TYR 40 6.772 -6.353 -5.108 323 HB3 TYR 40 2HB TYR 40 6.415 -4.702 -4.598 324 HD1 TYR 40 HD1 TYR 40 5.815 -8.276 -3.675 325 HD2 TYR 40 HD2 TYR 40 6.082 -4.211 -2.314 326 HE1 TYR 40 HE1 TYR 40 5.635 -9.051 -1.327 327 HE2 TYR 40 HE2 TYR 40 5.903 -4.985 0.034 328 HH TYR 40 HH TYR 40 5.507 -8.448 0.800 329 H ALA 41 H ALA 41 2.638 -6.499 -3.921 330 HA ALA 41 HA ALA 41 2.202 -3.852 -2.688 331 HB1 ALA 41 3HB ALA 41 -0.283 -4.036 -3.459 332 HB2 ALA 41 1HB ALA 41 0.349 -5.105 -4.714 333 HB3 ALA 41 2HB ALA 41 0.905 -3.435 -4.616 334 H LEU 42 H LEU 42 1.527 -4.193 -0.629 335 HA LEU 42 HA LEU 42 0.095 -6.741 0.023 336 HB2 LEU 42 1HB LEU 42 2.411 -7.049 0.715 337 HB3 LEU 42 2HB LEU 42 2.413 -5.484 1.523 338 HG LEU 42 HG LEU 42 0.783 -6.259 3.151 339 HD11 LEU 42 1HD1 LEU 42 -0.678 -7.699 2.013 340 HD12 LEU 42 2HD1 LEU 42 0.233 -8.817 3.027 341 HD13 LEU 42 3HD1 LEU 42 0.638 -8.641 1.319 342 HD21 LEU 42 3HD2 LEU 42 2.131 -7.887 4.302 343 HD22 LEU 42 1HD2 LEU 42 3.232 -6.825 3.424 344 HD23 LEU 42 2HD2 LEU 42 2.859 -8.428 2.790 345 H LEU 43 H LEU 43 -1.788 -6.286 0.999 346 HA LEU 43 HA LEU 43 -2.048 -3.697 2.501 347 HB2 LEU 43 1HB LEU 43 -3.405 -3.920 0.372 348 HB3 LEU 43 2HB LEU 43 -4.269 -5.249 1.135 349 HG LEU 43 HG LEU 43 -4.039 -2.534 2.459 350 HD11 LEU 43 1HD1 LEU 43 -6.284 -3.457 0.649 351 HD12 LEU 43 2HD1 LEU 43 -5.047 -2.290 0.191 352 HD13 LEU 43 3HD1 LEU 43 -6.175 -1.910 1.488 353 HD21 LEU 43 3HD2 LEU 43 -4.899 -3.947 4.081 354 HD22 LEU 43 1HD2 LEU 43 -5.639 -5.039 2.911 355 HD23 LEU 43 2HD2 LEU 43 -6.400 -3.496 3.287 356 H MET 44 H MET 44 -2.371 -3.983 4.641 357 HA MET 44 HA MET 44 -3.978 -6.266 5.598 358 HB2 MET 44 1HB MET 44 -2.050 -6.785 7.294 359 HB3 MET 44 2HB MET 44 -1.955 -7.452 5.666 360 HG2 MET 44 1HG MET 44 -0.498 -5.578 4.977 361 HG3 MET 44 2HG MET 44 -0.595 -4.906 6.604 362 HE1 MET 44 3HE MET 44 1.942 -5.485 5.021 363 HE2 MET 44 1HE MET 44 3.037 -6.360 6.098 364 HE3 MET 44 2HE MET 44 2.150 -4.956 6.689 365 H ASP 45 H ASP 45 -4.430 -6.050 7.944 366 HA ASP 45 HA ASP 45 -4.494 -3.174 8.725 367 HB2 ASP 45 1HB ASP 45 -6.176 -3.943 10.402 368 HB3 ASP 45 2HB ASP 45 -6.648 -4.309 8.743 369 H ILE 46 H ILE 46 -2.850 -2.549 10.002 370 HA ILE 46 HA ILE 46 -1.862 -4.434 12.109 371 HB ILE 46 HB ILE 46 0.355 -3.263 11.851 372 HG12 ILE 46 1HG1 ILE 46 -0.729 -2.333 9.182 373 HG13 ILE 46 2HG1 ILE 46 -0.767 -1.289 10.603 374 HG21 ILE 46 1HG2 ILE 46 0.044 -5.460 10.888 375 HG22 ILE 46 2HG2 ILE 46 0.911 -4.473 9.710 376 HG23 ILE 46 3HG2 ILE 46 -0.813 -4.782 9.504 377 HD11 ILE 46 3HD1 ILE 46 1.274 -0.869 9.306 378 HD12 ILE 46 1HD1 ILE 46 1.708 -2.575 9.418 379 HD13 ILE 46 2HD1 ILE 46 1.679 -1.576 10.870 380 HA PRO 47 HA PRO 47 -3.062 -1.281 14.962 381 HB2 PRO 47 1HB PRO 47 -1.110 -1.611 16.928 382 HB3 PRO 47 2HB PRO 47 -2.570 -2.605 16.767 383 HG2 PRO 47 1HG PRO 47 0.218 -3.188 15.899 384 HG3 PRO 47 2HG PRO 47 -1.013 -4.281 16.552 385 HD2 PRO 47 1HD PRO 47 -0.398 -4.185 13.897 386 HD3 PRO 47 2HD PRO 47 -2.028 -4.589 14.484 387 H ALA 48 H ALA 48 -2.640 0.868 15.403 388 HA ALA 48 HA ALA 48 -0.635 2.197 13.871 389 HB1 ALA 48 3HB ALA 48 -1.573 3.841 16.086 390 HB2 ALA 48 1HB ALA 48 -2.909 2.929 15.384 391 HB3 ALA 48 2HB ALA 48 -1.938 3.992 14.367 392 H GLU 49 H GLU 49 -0.531 0.759 17.014 393 HA GLU 49 HA GLU 49 1.500 2.306 18.248 394 HB2 GLU 49 1HB GLU 49 0.866 -0.651 18.472 395 HB3 GLU 49 2HB GLU 49 1.992 0.196 19.535 396 HG2 GLU 49 1HG GLU 49 0.219 1.717 20.258 397 HG3 GLU 49 2HG GLU 49 -0.913 0.959 19.140 398 H LYS 50 H LYS 50 1.725 -0.309 15.869 399 HA LYS 50 HA LYS 50 4.552 -0.706 16.048 400 HB2 LYS 50 1HB LYS 50 2.558 -1.172 13.829 401 HB3 LYS 50 2HB LYS 50 4.265 -1.591 13.674 402 HG2 LYS 50 1HG LYS 50 4.122 -3.063 15.612 403 HG3 LYS 50 2HG LYS 50 2.454 -2.577 15.891 404 HD2 LYS 50 1HD LYS 50 2.295 -4.651 14.734 405 HD3 LYS 50 2HD LYS 50 1.967 -3.420 13.518 406 HE2 LYS 50 1HE LYS 50 4.160 -3.617 12.586 407 HE3 LYS 50 2HE LYS 50 4.738 -4.556 13.961 408 HZ1 LYS 50 3HZ LYS 50 2.513 -5.508 12.271 409 HZ2 LYS 50 1HZ LYS 50 3.516 -6.403 13.305 410 HZ3 LYS 50 2HZ LYS 50 4.131 -5.797 11.842 411 H ILE 51 H ILE 51 2.620 1.475 14.003 412 HA ILE 51 HA ILE 51 5.036 2.499 12.698 413 HB ILE 51 HB ILE 51 3.315 4.192 11.726 414 HG12 ILE 51 1HG1 ILE 51 1.443 2.130 12.926 415 HG13 ILE 51 2HG1 ILE 51 1.592 3.793 13.487 416 HG21 ILE 51 1HG2 ILE 51 2.527 2.501 10.117 417 HG22 ILE 51 2HG2 ILE 51 2.957 1.215 11.244 418 HG23 ILE 51 3HG2 ILE 51 4.218 2.214 10.522 419 HD11 ILE 51 3HD1 ILE 51 0.726 2.919 10.713 420 HD12 ILE 51 1HD1 ILE 51 0.897 4.591 11.246 421 HD13 ILE 51 2HD1 ILE 51 -0.330 3.552 11.970 422 H GLY 52 H GLY 52 4.515 2.760 15.679 423 HA2 GLY 52 1HA GLY 52 5.322 4.310 17.248 424 HA3 GLY 52 2HA GLY 52 5.670 5.411 15.919 425 H ILE 53 H ILE 53 2.531 4.650 15.407 426 HA ILE 53 HA ILE 53 1.653 7.185 16.568 427 HB ILE 53 HB ILE 53 0.164 5.049 15.023 428 HG12 ILE 53 1HG1 ILE 53 1.106 7.843 14.287 429 HG13 ILE 53 2HG1 ILE 53 1.921 6.352 13.821 430 HG21 ILE 53 1HG2 ILE 53 -1.455 6.162 16.423 431 HG22 ILE 53 2HG2 ILE 53 -1.593 6.877 14.821 432 HG23 ILE 53 3HG2 ILE 53 -0.736 7.738 16.098 433 HD11 ILE 53 3HD1 ILE 53 -0.726 7.428 12.892 434 HD12 ILE 53 1HD1 ILE 53 -0.419 5.694 12.834 435 HD13 ILE 53 2HD1 ILE 53 0.616 6.803 11.936 436 H ASN 54 H ASN 54 0.535 7.488 18.402 437 HA ASN 54 HA ASN 54 0.450 5.506 20.440 438 HB2 ASN 54 1HB ASN 54 -0.939 8.168 20.089 439 HB3 ASN 54 2HB ASN 54 -1.183 7.180 21.530 440 HD21 ASN 54 2HD2 ASN 54 0.085 9.756 21.650 441 HD22 ASN 54 1HD2 ASN 54 1.706 9.527 22.096 442 H GLY 55 H GLY 55 -2.035 6.638 18.172 443 HA2 GLY 55 1HA GLY 55 -4.388 5.615 19.078 444 HA3 GLY 55 2HA GLY 55 -3.926 5.437 17.389 445 H ASP 56 H ASP 56 -4.674 3.773 20.220 446 HA ASP 56 HA ASP 56 -3.155 1.343 19.631 447 HB2 ASP 56 1HB ASP 56 -4.548 0.381 21.483 448 HB3 ASP 56 2HB ASP 56 -3.703 1.856 21.955 449 H LYS 57 H LYS 57 -5.617 2.762 18.060 450 HA LYS 57 HA LYS 57 -7.365 0.428 17.709 451 HB2 LYS 57 1HB LYS 57 -8.555 1.878 16.090 452 HB3 LYS 57 2HB LYS 57 -8.338 2.674 17.648 453 HG2 LYS 57 1HG LYS 57 -6.335 3.841 16.749 454 HG3 LYS 57 2HG LYS 57 -6.624 3.086 15.179 455 HD2 LYS 57 1HD LYS 57 -8.831 4.166 15.048 456 HD3 LYS 57 2HD LYS 57 -8.574 4.902 16.631 457 HE2 LYS 57 1HE LYS 57 -6.603 6.104 15.752 458 HE3 LYS 57 2HE LYS 57 -6.870 5.377 14.167 459 HZ1 LYS 57 3HZ LYS 57 -7.808 7.627 14.372 460 HZ2 LYS 57 1HZ LYS 57 -8.842 7.075 15.596 461 HZ3 LYS 57 2HZ LYS 57 -8.989 6.459 14.020 462 H ARG 58 H ARG 58 -7.765 -0.472 15.541 463 HA ARG 58 HA ARG 58 -5.258 -1.148 14.216 464 HB2 ARG 58 1HB ARG 58 -8.141 -1.901 13.683 465 HB3 ARG 58 2HB ARG 58 -6.786 -2.520 12.739 466 HG2 ARG 58 1HG ARG 58 -5.780 -3.465 14.771 467 HG3 ARG 58 2HG ARG 58 -7.105 -2.820 15.741 468 HD2 ARG 58 1HD ARG 58 -8.711 -4.204 14.491 469 HD3 ARG 58 2HD ARG 58 -7.403 -4.832 13.488 470 HE ARG 58 HE ARG 58 -6.677 -5.345 16.164 471 HH11 ARG 58 1HH2 ARG 58 -9.185 -6.124 13.922 472 HH12 ARG 58 2HH2 ARG 58 -9.499 -7.681 14.615 473 HH21 ARG 58 1HH1 ARG 58 -7.074 -7.374 17.075 474 HH22 ARG 58 2HH1 ARG 58 -8.305 -8.386 16.398 475 H VAL 59 H VAL 59 -4.670 -0.632 12.075 476 HA VAL 59 HA VAL 59 -6.380 1.350 10.626 477 HB VAL 59 HB VAL 59 -4.226 2.545 10.008 478 HG11 VAL 59 1HG1 VAL 59 -5.758 3.525 11.616 479 HG12 VAL 59 2HG1 VAL 59 -4.115 3.739 12.220 480 HG13 VAL 59 3HG1 VAL 59 -5.146 2.478 12.897 481 HG21 VAL 59 3HG2 VAL 59 -2.701 0.700 10.704 482 HG22 VAL 59 1HG2 VAL 59 -3.189 0.955 12.380 483 HG23 VAL 59 2HG2 VAL 59 -2.308 2.214 11.517 484 H ASP 60 H ASP 60 -5.855 1.458 8.308 485 HA ASP 60 HA ASP 60 -4.894 -1.188 7.299 486 HB2 ASP 60 1HB ASP 60 -6.423 0.984 5.836 487 HB3 ASP 60 2HB ASP 60 -6.143 -0.668 5.285 488 H VAL 61 H VAL 61 -3.083 -1.310 6.017 489 HA VAL 61 HA VAL 61 -1.905 1.240 4.974 490 HB VAL 61 HB VAL 61 0.281 0.669 5.767 491 HG11 VAL 61 1HG1 VAL 61 -1.369 1.627 7.429 492 HG12 VAL 61 2HG1 VAL 61 -0.032 0.738 8.158 493 HG13 VAL 61 3HG1 VAL 61 -1.623 -0.012 8.025 494 HG21 VAL 61 3HG2 VAL 61 -1.003 -1.979 6.489 495 HG22 VAL 61 1HG2 VAL 61 0.544 -1.471 7.166 496 HG23 VAL 61 2HG2 VAL 61 0.377 -1.698 5.426 497 H ILE 62 H ILE 62 -0.480 0.940 3.174 498 HA ILE 62 HA ILE 62 -0.623 -1.733 1.838 499 HB ILE 62 HB ILE 62 -0.994 -0.522 -0.330 500 HG12 ILE 62 1HG1 ILE 62 -1.710 1.811 1.475 501 HG13 ILE 62 2HG1 ILE 62 -0.205 1.705 0.560 502 HG21 ILE 62 1HG2 ILE 62 -3.045 -0.370 1.886 503 HG22 ILE 62 2HG2 ILE 62 -2.871 -1.615 0.652 504 HG23 ILE 62 3HG2 ILE 62 -3.440 -0.006 0.205 505 HD11 ILE 62 3HD1 ILE 62 -2.968 1.563 -0.679 506 HD12 ILE 62 1HD1 ILE 62 -1.429 1.616 -1.540 507 HD13 ILE 62 2HD1 ILE 62 -1.976 3.020 -0.623 508 H ASP 63 H ASP 63 1.183 -2.225 0.572 509 HA ASP 63 HA ASP 63 3.604 -0.692 1.231 510 HB2 ASP 63 1HB ASP 63 3.042 -3.299 -0.184 511 HB3 ASP 63 2HB ASP 63 4.647 -2.572 -0.249 512 H LEU 64 H LEU 64 4.852 0.469 -0.233 513 HA LEU 64 HA LEU 64 3.914 0.618 -3.064 514 HB2 LEU 64 1HB LEU 64 3.084 2.536 -1.431 515 HB3 LEU 64 2HB LEU 64 4.730 3.132 -1.611 516 HG LEU 64 HG LEU 64 3.354 4.207 -3.281 517 HD11 LEU 64 1HD1 LEU 64 5.679 3.289 -3.884 518 HD12 LEU 64 2HD1 LEU 64 4.621 3.742 -5.218 519 HD13 LEU 64 3HD1 LEU 64 4.815 2.045 -4.788 520 HD21 LEU 64 3HD2 LEU 64 1.767 3.174 -4.594 521 HD22 LEU 64 1HD2 LEU 64 1.730 2.048 -3.242 522 HD23 LEU 64 2HD2 LEU 64 2.656 1.657 -4.692 523 H LYS 65 H LYS 65 5.648 0.204 -4.330 524 HA LYS 65 HA LYS 65 8.347 0.303 -3.178 525 HB2 LYS 65 1HB LYS 65 9.027 -0.740 -5.286 526 HB3 LYS 65 2HB LYS 65 7.629 -1.578 -4.616 527 HG2 LYS 65 1HG LYS 65 6.160 -0.170 -6.092 528 HG3 LYS 65 2HG LYS 65 7.616 0.471 -6.851 529 HD2 LYS 65 1HD LYS 65 7.037 -2.492 -6.686 530 HD3 LYS 65 2HD LYS 65 6.514 -1.498 -8.042 531 HE2 LYS 65 1HE LYS 65 8.955 -0.772 -8.280 532 HE3 LYS 65 2HE LYS 65 9.348 -2.067 -7.148 533 HZ1 LYS 65 3HZ LYS 65 8.116 -2.294 -9.827 534 HZ2 LYS 65 1HZ LYS 65 8.058 -3.559 -8.699 535 HZ3 LYS 65 2HZ LYS 65 9.557 -2.997 -9.266 536 H VAL 66 H VAL 66 9.902 1.818 -3.645 537 HA VAL 66 HA VAL 66 9.413 3.763 -5.853 538 HB VAL 66 HB VAL 66 9.993 5.659 -4.355 539 HG11 VAL 66 1HG1 VAL 66 7.628 4.277 -3.105 540 HG12 VAL 66 2HG1 VAL 66 7.568 4.725 -4.811 541 HG13 VAL 66 3HG1 VAL 66 7.811 5.964 -3.583 542 HG21 VAL 66 3HG2 VAL 66 9.784 5.230 -1.872 543 HG22 VAL 66 1HG2 VAL 66 11.211 4.506 -2.615 544 HG23 VAL 66 2HG2 VAL 66 9.814 3.503 -2.229 545 H GLN 67 H GLN 67 11.383 5.125 -6.231 546 HA GLN 67 HA GLN 67 13.709 3.401 -6.253 547 HB2 GLN 67 1HB GLN 67 13.385 6.294 -7.084 548 HB3 GLN 67 2HB GLN 67 14.790 5.286 -7.440 549 HG2 GLN 67 1HG GLN 67 13.387 3.728 -8.704 550 HG3 GLN 67 2HG GLN 67 11.951 4.668 -8.302 551 HE21 GLN 67 2HE2 GLN 67 13.186 4.136 -11.011 552 HE22 GLN 67 1HE2 GLN 67 13.477 5.671 -11.674 553 HA PRO 68 HA PRO 68 15.715 4.662 -2.451 554 HB2 PRO 68 1HB PRO 68 18.170 5.175 -4.096 555 HB3 PRO 68 2HB PRO 68 17.975 4.165 -2.649 556 HG2 PRO 68 1HG PRO 68 18.199 3.123 -5.124 557 HG3 PRO 68 2HG PRO 68 17.240 2.357 -3.847 558 HD2 PRO 68 1HD PRO 68 16.305 3.794 -6.279 559 HD3 PRO 68 2HD PRO 68 15.490 2.554 -5.302 560 H GLU 69 H GLU 69 16.381 6.614 -5.332 561 HA GLU 69 HA GLU 69 17.126 9.008 -3.902 562 HB2 GLU 69 1HB GLU 69 16.531 10.043 -6.241 563 HB3 GLU 69 2HB GLU 69 17.903 8.943 -6.115 564 HG2 GLU 69 1HG GLU 69 16.688 7.124 -7.023 565 HG3 GLU 69 2HG GLU 69 15.137 7.924 -6.771 566 H LEU 70 H LEU 70 14.073 7.725 -5.128 567 HA LEU 70 HA LEU 70 12.624 10.211 -4.532 568 HB2 LEU 70 1HB LEU 70 11.709 7.456 -5.411 569 HB3 LEU 70 2HB LEU 70 10.623 8.826 -5.193 570 HG LEU 70 HG LEU 70 13.025 8.851 -7.044 571 HD11 LEU 70 1HD1 LEU 70 10.095 8.444 -7.704 572 HD12 LEU 70 2HD1 LEU 70 11.342 7.199 -7.781 573 HD13 LEU 70 3HD1 LEU 70 11.406 8.580 -8.875 574 HD21 LEU 70 3HD2 LEU 70 12.555 11.100 -6.660 575 HD22 LEU 70 1HD2 LEU 70 10.841 10.808 -6.361 576 HD23 LEU 70 2HD2 LEU 70 11.469 10.787 -8.008 577 H VAL 71 H VAL 71 13.885 7.901 -2.589 578 HA VAL 71 HA VAL 71 11.701 7.195 -0.878 579 HB VAL 71 HB VAL 71 14.000 6.132 -0.914 580 HG11 VAL 71 1HG1 VAL 71 14.853 8.324 0.972 581 HG12 VAL 71 2HG1 VAL 71 15.090 8.516 -0.762 582 HG13 VAL 71 3HG1 VAL 71 15.848 7.170 0.083 583 HG21 VAL 71 3HG2 VAL 71 14.072 5.939 1.646 584 HG22 VAL 71 1HG2 VAL 71 12.549 5.512 0.866 585 HG23 VAL 71 2HG2 VAL 71 12.723 7.078 1.660 586 H GLY 72 H GLY 72 14.008 9.914 -0.805 587 HA2 GLY 72 1HA GLY 72 12.981 11.047 1.640 588 HA3 GLY 72 2HA GLY 72 14.002 11.882 0.472 589 H SER 73 H SER 73 12.320 11.609 -1.802 590 HA SER 73 HA SER 73 10.604 13.860 -1.468 591 HB2 SER 73 1HB SER 73 9.737 13.255 -3.708 592 HB3 SER 73 2HB SER 73 11.497 13.194 -3.657 593 HG SER 73 HG SER 73 9.788 11.258 -4.276 594 H LEU 74 H LEU 74 10.059 10.403 -1.187 595 HA LEU 74 HA LEU 74 7.147 10.710 -0.956 596 HB2 LEU 74 1HB LEU 74 7.894 8.711 -2.007 597 HB3 LEU 74 2HB LEU 74 9.059 8.381 -0.733 598 HG LEU 74 HG LEU 74 6.232 8.594 0.213 599 HD11 LEU 74 1HD1 LEU 74 7.091 6.180 -1.398 600 HD12 LEU 74 2HD1 LEU 74 5.975 7.410 -1.988 601 HD13 LEU 74 3HD1 LEU 74 5.542 6.421 -0.596 602 HD21 LEU 74 3HD2 LEU 74 6.929 6.537 1.446 603 HD22 LEU 74 1HD2 LEU 74 8.034 7.882 1.710 604 HD23 LEU 74 2HD2 LEU 74 8.474 6.586 0.599 605 H ARG 75 H ARG 75 9.921 10.200 1.175 606 HA ARG 75 HA ARG 75 8.326 9.739 3.549 607 HB2 ARG 75 1HB ARG 75 11.236 10.376 3.047 608 HB3 ARG 75 2HB ARG 75 10.593 10.303 4.689 609 HG2 ARG 75 1HG ARG 75 9.845 8.008 4.326 610 HG3 ARG 75 2HG ARG 75 10.372 8.073 2.646 611 HD2 ARG 75 1HD ARG 75 12.096 6.950 3.932 612 HD3 ARG 75 2HD ARG 75 12.702 8.541 3.468 613 HE ARG 75 HE ARG 75 11.406 8.532 6.079 614 HH11 ARG 75 1HH2 ARG 75 14.292 7.967 4.271 615 HH12 ARG 75 2HH2 ARG 75 15.344 8.249 5.617 616 HH21 ARG 75 1HH1 ARG 75 12.763 8.905 7.839 617 HH22 ARG 75 2HH1 ARG 75 14.478 8.781 7.636 618 H LYS 76 H LYS 76 8.909 12.507 1.730 619 HA LYS 76 HA LYS 76 8.861 14.365 4.026 620 HB2 LYS 76 1HB LYS 76 9.206 16.097 2.444 621 HB3 LYS 76 2HB LYS 76 10.165 14.747 1.855 622 HG2 LYS 76 1HG LYS 76 9.097 15.043 -0.145 623 HG3 LYS 76 2HG LYS 76 7.691 14.316 0.616 624 HD2 LYS 76 1HD LYS 76 6.864 16.519 1.276 625 HD3 LYS 76 2HD LYS 76 8.318 17.284 0.633 626 HE2 LYS 76 1HE LYS 76 7.752 16.471 -1.625 627 HE3 LYS 76 2HE LYS 76 6.300 15.704 -0.987 628 HZ1 LYS 76 3HZ LYS 76 6.886 18.605 -0.789 629 HZ2 LYS 76 1HZ LYS 76 5.449 17.827 -0.335 630 HZ3 LYS 76 2HZ LYS 76 5.888 17.906 -1.974 631 H LYS 77 H LYS 77 6.617 12.529 2.417 632 HA LYS 77 HA LYS 77 4.449 14.549 2.491 633 HB2 LYS 77 1HB LYS 77 4.160 11.654 1.722 634 HB3 LYS 77 2HB LYS 77 3.166 13.026 1.241 635 HG2 LYS 77 1HG LYS 77 5.147 13.982 0.048 636 HG3 LYS 77 2HG LYS 77 6.043 12.516 0.436 637 HD2 LYS 77 1HD LYS 77 5.247 12.042 -1.714 638 HD3 LYS 77 2HD LYS 77 4.031 11.277 -0.694 639 HE2 LYS 77 1HE LYS 77 2.534 13.173 -0.968 640 HE3 LYS 77 2HE LYS 77 3.777 14.080 -1.828 641 HZ1 LYS 77 3HZ LYS 77 3.764 12.389 -3.552 642 HZ2 LYS 77 1HZ LYS 77 2.221 13.069 -3.361 643 HZ3 LYS 77 2HZ LYS 77 2.554 11.529 -2.724 644 HA PRO 78 HA PRO 78 3.748 13.076 6.781 645 HB2 PRO 78 1HB PRO 78 1.214 14.623 6.345 646 HB3 PRO 78 2HB PRO 78 2.349 14.680 7.709 647 HG2 PRO 78 1HG PRO 78 2.290 16.612 5.874 648 HG3 PRO 78 2HG PRO 78 3.815 16.070 6.600 649 HD2 PRO 78 1HD PRO 78 2.740 15.531 3.861 650 HD3 PRO 78 2HD PRO 78 4.421 15.707 4.413 651 H GLY 79 H GLY 79 2.566 11.381 7.635 652 HA2 GLY 79 1HA GLY 79 0.628 9.956 7.831 653 HA3 GLY 79 2HA GLY 79 0.146 10.416 6.202 654 H ILE 80 H ILE 80 3.115 9.996 5.443 655 HA ILE 80 HA ILE 80 2.837 7.060 4.978 656 HB ILE 80 HB ILE 80 4.674 9.084 3.665 657 HG12 ILE 80 1HG1 ILE 80 2.105 7.793 2.687 658 HG13 ILE 80 2HG1 ILE 80 2.244 9.454 3.249 659 HG21 ILE 80 1HG2 ILE 80 5.689 6.960 3.424 660 HG22 ILE 80 2HG2 ILE 80 4.747 7.133 1.946 661 HG23 ILE 80 3HG2 ILE 80 4.139 6.134 3.262 662 HD11 ILE 80 3HD1 ILE 80 2.580 9.911 1.043 663 HD12 ILE 80 1HD1 ILE 80 3.068 8.258 0.677 664 HD13 ILE 80 2HD1 ILE 80 4.234 9.385 1.365 665 H TYR 81 H TYR 81 4.027 5.742 6.254 666 HA TYR 81 HA TYR 81 6.448 6.863 7.615 667 HB2 TYR 81 1HB TYR 81 4.505 4.665 8.338 668 HB3 TYR 81 2HB TYR 81 6.089 4.773 9.106 669 HD1 TYR 81 HD1 TYR 81 2.807 6.394 8.696 670 HD2 TYR 81 HD2 TYR 81 6.657 6.626 10.584 671 HE1 TYR 81 HE1 TYR 81 1.949 8.145 10.228 672 HE2 TYR 81 HE2 TYR 81 5.801 8.377 12.117 673 HH TYR 81 HH TYR 81 3.800 10.169 11.920 674 HA PRO 82 HA PRO 82 8.975 4.083 5.254 675 HB2 PRO 82 1HB PRO 82 11.075 3.688 6.966 676 HB3 PRO 82 2HB PRO 82 10.808 5.208 6.087 677 HG2 PRO 82 1HG PRO 82 10.111 4.516 8.912 678 HG3 PRO 82 2HG PRO 82 10.832 6.001 8.263 679 HD2 PRO 82 1HD PRO 82 8.182 5.829 8.868 680 HD3 PRO 82 2HD PRO 82 8.788 6.840 7.533 681 H ALA 83 H ALA 83 9.894 1.865 5.260 682 HA ALA 83 HA ALA 83 8.148 -0.119 6.109 683 HB1 ALA 83 3HB ALA 83 11.130 -0.223 5.651 684 HB2 ALA 83 1HB ALA 83 9.846 -0.699 4.539 685 HB3 ALA 83 2HB ALA 83 10.174 -1.667 5.976 686 H TYR 84 H TYR 84 8.056 -1.539 7.887 687 HA TYR 84 HA TYR 84 8.602 -0.409 10.451 688 HB2 TYR 84 1HB TYR 84 8.240 -3.370 9.977 689 HB3 TYR 84 2HB TYR 84 7.685 -2.395 11.338 690 HD1 TYR 84 HD1 TYR 84 6.099 -0.337 10.611 691 HD2 TYR 84 HD2 TYR 84 6.642 -3.967 8.375 692 HE1 TYR 84 HE1 TYR 84 3.929 0.038 9.468 693 HE2 TYR 84 HE2 TYR 84 4.473 -3.589 7.236 694 HH TYR 84 HH TYR 84 2.654 -2.321 7.120 695 H HIS 85 H HIS 85 10.294 -2.942 8.589 696 HA HIS 85 HA HIS 85 12.808 -2.287 9.939 697 HB2 HIS 85 1HB HIS 85 11.615 -3.851 11.532 698 HB3 HIS 85 2HB HIS 85 11.674 -5.080 10.272 699 HD1 HIS 85 HD1 HIS 85 14.153 -2.745 12.014 700 HD2 HIS 85 HD2 HIS 85 13.964 -6.605 10.448 701 HE1 HIS 85 HE1 HIS 85 16.401 -3.817 12.476 702 H MET 86 H MET 86 10.939 -4.113 7.628 703 HA MET 86 HA MET 86 13.026 -5.558 6.347 704 HB2 MET 86 1HB MET 86 10.420 -5.647 6.035 705 HB3 MET 86 2HB MET 86 10.701 -4.424 4.798 706 HG2 MET 86 1HG MET 86 10.845 -6.428 3.582 707 HG3 MET 86 2HG MET 86 12.538 -6.077 3.931 708 HE1 MET 86 3HE MET 86 13.060 -8.779 3.459 709 HE2 MET 86 1HE MET 86 11.348 -8.703 3.021 710 HE3 MET 86 2HE MET 86 11.935 -9.986 4.076 711 H ASN 87 H ASN 87 12.295 -4.345 3.626 712 HA ASN 87 HA ASN 87 14.659 -2.692 3.389 713 HB2 ASN 87 1HB ASN 87 12.398 -3.279 1.457 714 HB3 ASN 87 2HB ASN 87 13.851 -2.371 1.034 715 HD21 ASN 87 2HD2 ASN 87 12.664 -5.335 0.544 716 HD22 ASN 87 1HD2 ASN 87 14.068 -6.279 0.682 717 H LYS 88 H LYS 88 14.818 -0.517 3.533 718 HA LYS 88 HA LYS 88 12.356 1.039 4.105 719 HB2 LYS 88 1HB LYS 88 14.348 1.215 5.610 720 HB3 LYS 88 2HB LYS 88 15.267 1.882 4.260 721 HG2 LYS 88 1HG LYS 88 13.694 3.754 4.085 722 HG3 LYS 88 2HG LYS 88 12.720 3.078 5.390 723 HD2 LYS 88 1HD LYS 88 14.647 3.282 6.927 724 HD3 LYS 88 2HD LYS 88 15.604 3.985 5.622 725 HE2 LYS 88 1HE LYS 88 13.985 5.837 5.433 726 HE3 LYS 88 2HE LYS 88 13.036 5.137 6.744 727 HZ1 LYS 88 3HZ LYS 88 14.897 5.401 8.224 728 HZ2 LYS 88 1HZ LYS 88 14.526 6.896 7.513 729 HZ3 LYS 88 2HZ LYS 88 15.866 6.006 6.966 730 H GLU 89 H GLU 89 14.707 0.550 1.605 731 HA GLU 89 HA GLU 89 13.845 3.026 0.177 732 HB2 GLU 89 1HB GLU 89 16.090 1.048 -0.327 733 HB3 GLU 89 2HB GLU 89 15.722 2.414 -1.381 734 HG2 GLU 89 1HG GLU 89 16.118 3.983 0.442 735 HG3 GLU 89 2HG GLU 89 16.374 2.652 1.570 736 H HIS 90 H HIS 90 14.083 -0.508 -0.272 737 HA HIS 90 HA HIS 90 12.953 -0.566 -2.889 738 HB2 HIS 90 1HB HIS 90 12.560 -2.767 -0.863 739 HB3 HIS 90 2HB HIS 90 12.784 -2.902 -2.606 740 HD1 HIS 90 HD1 HIS 90 14.646 -4.401 -0.616 741 HD2 HIS 90 HD2 HIS 90 15.511 -0.678 -2.276 742 HE1 HIS 90 HE1 HIS 90 17.161 -4.134 -0.501 743 H TRP 91 H TRP 91 11.299 -1.628 0.114 744 HA TRP 91 HA TRP 91 8.706 -0.710 -1.098 745 HB2 TRP 91 1HB TRP 91 9.065 -2.723 1.132 746 HB3 TRP 91 2HB TRP 91 7.613 -2.417 0.182 747 HD1 TRP 91 HD1 TRP 91 9.004 -2.347 -2.695 748 HE1 TRP 91 HE1 TRP 91 9.814 -4.554 -3.741 749 HE3 TRP 91 HE3 TRP 91 9.400 -5.225 1.506 750 HZ2 TRP 91 HZ2 TRP 91 10.533 -7.192 -2.915 751 HZ3 TRP 91 HZ3 TRP 91 10.150 -7.581 1.345 752 HH2 TRP 91 HH2 TRP 91 10.717 -8.567 -0.858 753 H ILE 92 H ILE 92 7.266 0.473 0.200 754 HA ILE 92 HA ILE 92 8.316 1.420 2.839 755 HB ILE 92 HB ILE 92 6.853 3.343 1.039 756 HG12 ILE 92 1HG1 ILE 92 8.614 2.360 -0.436 757 HG13 ILE 92 2HG1 ILE 92 8.926 4.044 -0.048 758 HG21 ILE 92 1HG2 ILE 92 9.105 3.574 3.049 759 HG22 ILE 92 2HG2 ILE 92 7.418 4.023 3.309 760 HG23 ILE 92 3HG2 ILE 92 8.414 4.927 2.174 761 HD11 ILE 92 3HD1 ILE 92 10.675 1.859 0.323 762 HD12 ILE 92 1HD1 ILE 92 10.191 2.359 1.943 763 HD13 ILE 92 2HD1 ILE 92 10.917 3.525 0.841 764 H THR 93 H THR 93 6.568 2.352 4.211 765 HA THR 93 HA THR 93 3.983 0.918 3.708 766 HB THR 93 HB THR 93 3.679 1.192 6.181 767 HG1 THR 93 HG1 THR 93 5.065 2.984 6.425 768 HG21 THR 93 3HG2 THR 93 4.513 -0.912 5.503 769 HG22 THR 93 1HG2 THR 93 5.650 -0.383 6.743 770 HG23 THR 93 2HG2 THR 93 6.076 -0.242 5.039 771 H VAL 94 H VAL 94 2.152 2.058 3.460 772 HA VAL 94 HA VAL 94 2.205 5.019 3.978 773 HB VAL 94 HB VAL 94 0.821 3.399 1.820 774 HG11 VAL 94 1HG1 VAL 94 -0.006 5.749 1.117 775 HG12 VAL 94 2HG1 VAL 94 0.360 6.228 2.775 776 HG13 VAL 94 3HG1 VAL 94 -0.833 4.968 2.465 777 HG21 VAL 94 3HG2 VAL 94 3.273 4.204 1.628 778 HG22 VAL 94 1HG2 VAL 94 2.594 5.829 1.524 779 HG23 VAL 94 2HG2 VAL 94 2.180 4.622 0.309 780 H LEU 95 H LEU 95 0.628 5.772 5.328 781 HA LEU 95 HA LEU 95 -1.203 3.784 6.525 782 HB2 LEU 95 1HB LEU 95 0.122 5.364 7.937 783 HB3 LEU 95 2HB LEU 95 -0.765 6.703 7.214 784 HG LEU 95 HG LEU 95 -2.890 5.702 8.048 785 HD11 LEU 95 1HD1 LEU 95 -2.396 3.970 9.997 786 HD12 LEU 95 2HD1 LEU 95 -0.975 3.602 9.022 787 HD13 LEU 95 3HD1 LEU 95 -2.591 3.418 8.338 788 HD21 LEU 95 3HD2 LEU 95 -0.832 6.086 10.238 789 HD22 LEU 95 1HD2 LEU 95 -2.567 6.383 10.351 790 HD23 LEU 95 2HD2 LEU 95 -1.561 7.412 9.331 791 H LEU 96 H LEU 96 -3.039 3.469 5.374 792 HA LEU 96 HA LEU 96 -4.248 5.401 3.630 793 HB2 LEU 96 1HB LEU 96 -5.316 2.884 4.934 794 HB3 LEU 96 2HB LEU 96 -6.223 3.816 3.743 795 HG LEU 96 HG LEU 96 -3.447 2.695 3.255 796 HD11 LEU 96 1HD1 LEU 96 -4.843 1.104 1.728 797 HD12 LEU 96 2HD1 LEU 96 -6.191 1.542 2.778 798 HD13 LEU 96 3HD1 LEU 96 -4.761 0.763 3.456 799 HD21 LEU 96 3HD2 LEU 96 -5.447 4.233 1.613 800 HD22 LEU 96 1HD2 LEU 96 -4.455 3.024 0.798 801 HD23 LEU 96 2HD2 LEU 96 -3.688 4.360 1.647 802 H ASN 97 H ASN 97 -4.870 4.455 6.989 803 HA ASN 97 HA ASN 97 -7.145 6.259 7.250 804 HB2 ASN 97 1HB ASN 97 -5.502 4.672 9.238 805 HB3 ASN 97 2HB ASN 97 -6.854 5.698 9.720 806 HD21 ASN 97 2HD2 ASN 97 -6.243 2.539 9.230 807 HD22 ASN 97 1HD2 ASN 97 -7.723 2.027 8.575 808 H GLY 98 H GLY 98 -4.026 6.923 6.768 809 HA2 GLY 98 1HA GLY 98 -3.538 8.867 8.898 810 HA3 GLY 98 2HA GLY 98 -2.526 8.595 7.480 811 HA PRO 99 HA PRO 99 -5.074 12.569 7.037 812 HB2 PRO 99 1HB PRO 99 -2.935 14.290 6.832 813 HB3 PRO 99 2HB PRO 99 -3.693 13.857 8.378 814 HG2 PRO 99 1HG PRO 99 -1.212 12.759 7.121 815 HG3 PRO 99 2HG PRO 99 -1.511 13.212 8.808 816 HD2 PRO 99 1HD PRO 99 -1.588 10.629 7.987 817 HD3 PRO 99 2HD PRO 99 -2.643 11.230 9.284 818 H LEU 100 H LEU 100 -1.906 12.930 5.503 819 HA LEU 100 HA LEU 100 -1.575 13.652 3.229 820 HB2 LEU 100 1HB LEU 100 -1.493 11.572 1.843 821 HB3 LEU 100 2HB LEU 100 -0.648 11.440 3.382 822 HG LEU 100 HG LEU 100 -3.531 10.636 3.411 823 HD11 LEU 100 1HD1 LEU 100 -2.801 8.309 2.597 824 HD12 LEU 100 2HD1 LEU 100 -1.416 9.135 1.879 825 HD13 LEU 100 3HD1 LEU 100 -3.052 9.557 1.377 826 HD21 LEU 100 3HD2 LEU 100 -1.019 9.324 4.504 827 HD22 LEU 100 1HD2 LEU 100 -2.685 8.912 4.918 828 HD23 LEU 100 2HD2 LEU 100 -2.023 10.475 5.393 829 H GLY 101 H GLY 101 -3.252 11.482 1.481 830 HA2 GLY 101 1HA GLY 101 -5.913 12.408 1.401 831 HA3 GLY 101 2HA GLY 101 -4.988 13.454 0.325 832 H ALA 102 H ALA 102 -7.046 11.725 -0.556 833 HA ALA 102 HA ALA 102 -6.083 9.238 -1.592 834 HB1 ALA 102 3HB ALA 102 -8.292 11.070 -2.571 835 HB2 ALA 102 1HB ALA 102 -8.471 9.720 -1.451 836 HB3 ALA 102 2HB ALA 102 -8.040 9.418 -3.134 837 H LYS 103 H LYS 103 -6.079 12.538 -2.865 838 HA LYS 103 HA LYS 103 -5.212 11.919 -5.513 839 HB2 LYS 103 1HB LYS 103 -4.791 14.384 -3.797 840 HB3 LYS 103 2HB LYS 103 -4.370 14.299 -5.508 841 HG2 LYS 103 1HG LYS 103 -6.710 13.771 -6.069 842 HG3 LYS 103 2HG LYS 103 -7.141 13.839 -4.358 843 HD2 LYS 103 1HD LYS 103 -6.440 16.198 -4.267 844 HD3 LYS 103 2HD LYS 103 -5.994 16.137 -5.973 845 HE2 LYS 103 1HE LYS 103 -8.329 15.606 -6.567 846 HE3 LYS 103 2HE LYS 103 -8.777 15.665 -4.863 847 HZ1 LYS 103 3HZ LYS 103 -7.655 18.009 -5.035 848 HZ2 LYS 103 1HZ LYS 103 -9.272 17.782 -5.493 849 HZ3 LYS 103 2HZ LYS 103 -8.056 17.849 -6.677 850 H GLU 104 H GLU 104 -3.425 12.533 -2.509 851 HA GLU 104 HA GLU 104 -0.807 12.548 -3.642 852 HB2 GLU 104 1HB GLU 104 -1.750 11.675 -0.891 853 HB3 GLU 104 2HB GLU 104 -0.067 11.968 -1.326 854 HG2 GLU 104 1HG GLU 104 -2.257 14.045 -1.607 855 HG3 GLU 104 2HG GLU 104 -1.199 13.926 -0.201 856 H ILE 105 H ILE 105 -2.812 9.892 -2.373 857 HA ILE 105 HA ILE 105 -0.852 7.829 -2.708 858 HB ILE 105 HB ILE 105 -3.883 7.736 -2.702 859 HG12 ILE 105 1HG1 ILE 105 -1.909 6.875 -0.572 860 HG13 ILE 105 2HG1 ILE 105 -2.596 8.498 -0.635 861 HG21 ILE 105 1HG2 ILE 105 -1.806 5.542 -2.781 862 HG22 ILE 105 2HG2 ILE 105 -3.222 5.741 -3.812 863 HG23 ILE 105 3HG2 ILE 105 -3.420 5.268 -2.125 864 HD11 ILE 105 3HD1 ILE 105 -4.342 6.033 -0.661 865 HD12 ILE 105 1HD1 ILE 105 -4.803 7.696 -0.299 866 HD13 ILE 105 2HD1 ILE 105 -3.819 6.787 0.846 867 H HIS 106 H HIS 106 -3.420 9.049 -4.849 868 HA HIS 106 HA HIS 106 -3.135 7.187 -6.951 869 HB2 HIS 106 1HB HIS 106 -3.826 10.138 -7.034 870 HB3 HIS 106 2HB HIS 106 -4.009 9.045 -8.407 871 HD1 HIS 106 HD1 HIS 106 -6.603 10.120 -7.655 872 HD2 HIS 106 HD2 HIS 106 -5.004 6.898 -5.546 873 HE1 HIS 106 HE1 HIS 106 -8.550 8.980 -6.505 874 H SER 107 H SER 107 -1.384 10.234 -6.373 875 HA SER 107 HA SER 107 0.203 10.161 -8.742 876 HB2 SER 107 1HB SER 107 0.162 12.201 -7.512 877 HB3 SER 107 2HB SER 107 0.621 11.396 -6.014 878 HG SER 107 HG SER 107 2.349 11.096 -8.162 879 H LEU 108 H LEU 108 0.791 8.873 -5.475 880 HA LEU 108 HA LEU 108 3.418 7.876 -5.994 881 HB2 LEU 108 1HB LEU 108 1.288 6.941 -4.046 882 HB3 LEU 108 2HB LEU 108 2.960 6.383 -4.025 883 HG LEU 108 HG LEU 108 2.103 9.281 -3.763 884 HD11 LEU 108 1HD1 LEU 108 2.506 9.090 -1.422 885 HD12 LEU 108 2HD1 LEU 108 3.226 7.490 -1.602 886 HD13 LEU 108 3HD1 LEU 108 1.493 7.710 -1.846 887 HD21 LEU 108 3HD2 LEU 108 4.619 9.241 -2.806 888 HD22 LEU 108 1HD2 LEU 108 4.285 9.463 -4.521 889 HD23 LEU 108 2HD2 LEU 108 4.754 7.876 -3.916 890 H ILE 109 H ILE 109 0.204 6.407 -6.353 891 HA ILE 109 HA ILE 109 1.114 3.796 -7.088 892 HB ILE 109 HB ILE 109 -1.429 5.303 -7.765 893 HG12 ILE 109 1HG1 ILE 109 -0.932 3.036 -5.813 894 HG13 ILE 109 2HG1 ILE 109 -0.900 4.738 -5.351 895 HG21 ILE 109 1HG2 ILE 109 -2.285 2.923 -8.217 896 HG22 ILE 109 2HG2 ILE 109 -0.587 2.451 -8.312 897 HG23 ILE 109 3HG2 ILE 109 -1.240 3.629 -9.449 898 HD11 ILE 109 3HD1 ILE 109 -3.258 3.366 -6.673 899 HD12 ILE 109 1HD1 ILE 109 -3.212 5.020 -6.066 900 HD13 ILE 109 2HD1 ILE 109 -3.121 3.666 -4.940 901 H GLU 110 H GLU 110 0.351 6.686 -9.036 902 HA GLU 110 HA GLU 110 0.767 5.496 -11.592 903 HB2 GLU 110 1HB GLU 110 -0.242 7.751 -11.227 904 HB3 GLU 110 2HB GLU 110 1.346 8.357 -10.755 905 HG2 GLU 110 1HG GLU 110 2.247 7.768 -12.963 906 HG3 GLU 110 2HG GLU 110 0.680 7.113 -13.438 907 H ASP 111 H ASP 111 3.008 6.985 -9.282 908 HA ASP 111 HA ASP 111 5.338 6.903 -10.939 909 HB2 ASP 111 1HB ASP 111 4.959 6.785 -7.934 910 HB3 ASP 111 2HB ASP 111 6.552 6.839 -8.691 911 H SER 112 H SER 112 3.878 4.568 -8.714 912 HA SER 112 HA SER 112 5.900 2.562 -8.880 913 HB2 SER 112 1HB SER 112 4.091 2.564 -7.182 914 HB3 SER 112 2HB SER 112 2.914 2.235 -8.449 915 HG SER 112 HG SER 112 3.402 0.246 -7.861 916 H PHE 113 H PHE 113 3.006 3.197 -10.832 917 HA PHE 113 HA PHE 113 3.063 0.883 -12.454 918 HB2 PHE 113 1HB PHE 113 1.222 2.547 -12.458 919 HB3 PHE 113 2HB PHE 113 2.285 3.700 -13.265 920 HD1 PHE 113 HD1 PHE 113 0.664 0.365 -13.609 921 HD2 PHE 113 HD2 PHE 113 2.665 3.594 -15.613 922 HE1 PHE 113 HE1 PHE 113 0.076 -0.632 -15.802 923 HE2 PHE 113 HE2 PHE 113 2.078 2.597 -17.806 924 HZ PHE 113 HZ PHE 113 0.782 0.486 -17.901 925 H GLN 114 H GLN 114 4.718 4.006 -12.863 926 HA GLN 114 HA GLN 114 5.983 3.359 -15.346 927 HB2 GLN 114 1HB GLN 114 6.847 5.266 -13.151 928 HB3 GLN 114 2HB GLN 114 7.511 5.236 -14.785 929 HG2 GLN 114 1HG GLN 114 4.583 5.680 -14.128 930 HG3 GLN 114 2HG GLN 114 5.728 6.966 -14.508 931 HE21 GLN 114 2HE2 GLN 114 3.311 5.316 -15.956 932 HE22 GLN 114 1HE2 GLN 114 3.893 5.243 -17.548 933 H LEU 115 H LEU 115 6.764 2.641 -12.009 934 HA LEU 115 HA LEU 115 9.482 1.712 -12.649 935 HB2 LEU 115 1HB LEU 115 7.825 1.568 -10.111 936 HB3 LEU 115 2HB LEU 115 9.523 1.109 -10.229 937 HG LEU 115 HG LEU 115 8.524 3.857 -11.019 938 HD11 LEU 115 1HD1 LEU 115 9.419 2.805 -8.331 939 HD12 LEU 115 2HD1 LEU 115 7.949 3.698 -8.719 940 HD13 LEU 115 3HD1 LEU 115 9.510 4.518 -8.743 941 HD21 LEU 115 3HD2 LEU 115 10.993 4.362 -10.404 942 HD22 LEU 115 1HD2 LEU 115 10.700 3.501 -11.911 943 HD23 LEU 115 2HD2 LEU 115 11.237 2.619 -10.481 944 H THR 116 H THR 116 6.306 0.400 -12.550 945 HA THR 116 HA THR 116 7.338 -2.400 -12.398 946 HB THR 116 HB THR 116 4.960 -3.015 -12.093 947 HG1 THR 116 HG1 THR 116 3.466 -1.634 -12.551 948 HG21 THR 116 3HG2 THR 116 6.178 -0.905 -10.314 949 HG22 THR 116 1HG2 THR 116 6.033 -2.640 -10.032 950 HG23 THR 116 2HG2 THR 116 4.608 -1.607 -9.931 951 H ARG 117 H ARG 117 7.249 -0.292 -14.726 952 HA ARG 117 HA ARG 117 5.514 -1.061 -16.770 953 HB2 ARG 117 1HB ARG 117 8.413 -0.209 -16.883 954 HB3 ARG 117 2HB ARG 117 7.436 -0.442 -18.335 955 HG2 ARG 117 1HG ARG 117 5.841 1.218 -17.593 956 HG3 ARG 117 2HG ARG 117 6.661 1.351 -16.042 957 HD2 ARG 117 1HD ARG 117 7.312 3.226 -17.488 958 HD3 ARG 117 2HD ARG 117 8.695 2.174 -17.201 959 HE ARG 117 HE ARG 117 8.618 1.489 -19.486 960 HH11 ARG 117 1HH2 ARG 117 5.921 3.452 -18.570 961 HH12 ARG 117 2HH2 ARG 117 5.410 3.731 -20.200 962 HH21 ARG 117 1HH1 ARG 117 7.957 1.852 -21.611 963 HH22 ARG 117 2HH1 ARG 117 6.558 2.825 -21.917 964 H LEU 118 H LEU 118 5.473 -2.671 -18.304 965 HA LEU 118 HA LEU 118 6.729 -5.181 -17.563 966 HB2 LEU 118 1HB LEU 118 4.885 -4.316 -19.789 967 HB3 LEU 118 2HB LEU 118 5.539 -5.951 -19.722 968 HG LEU 118 HG LEU 118 4.170 -4.756 -17.306 969 HD11 LEU 118 1HD1 LEU 118 2.825 -6.229 -19.590 970 HD12 LEU 118 2HD1 LEU 118 2.603 -4.522 -19.202 971 HD13 LEU 118 3HD1 LEU 118 2.058 -5.763 -18.071 972 HD21 LEU 118 3HD2 LEU 118 4.622 -7.572 -18.356 973 HD22 LEU 118 1HD2 LEU 118 3.626 -7.200 -16.951 974 HD23 LEU 118 2HD2 LEU 118 5.350 -6.847 -16.925 975 H GLU 119 H GLU 119 8.329 -6.291 -18.629 976 HA GLU 119 HA GLU 119 10.264 -6.575 -19.895 977 HB2 GLU 119 1HB GLU 119 8.821 -4.845 -21.926 978 HB3 GLU 119 2HB GLU 119 10.115 -5.999 -22.246 979 HG2 GLU 119 1HG GLU 119 7.412 -6.723 -21.081 980 HG3 GLU 119 2HG GLU 119 7.865 -6.929 -22.773 981 H HIS 120 H HIS 120 11.078 -5.026 -18.118 982 HA HIS 120 HA HIS 120 11.665 -2.294 -18.984 983 HB2 HIS 120 1HB HIS 120 11.227 -2.796 -16.608 984 HB3 HIS 120 2HB HIS 120 12.626 -3.869 -16.577 985 HD1 HIS 120 HD1 HIS 120 11.847 -0.211 -17.339 986 HD2 HIS 120 HD2 HIS 120 14.974 -2.575 -15.921 987 HE1 HIS 120 HE1 HIS 120 13.702 1.379 -16.673 988 H HIS 121 H HIS 121 13.893 -4.757 -17.714 989 HA HIS 121 HA HIS 121 16.032 -3.712 -19.448 990 HB2 HIS 121 1HB HIS 121 16.370 -4.376 -17.012 991 HB3 HIS 121 2HB HIS 121 16.167 -6.050 -17.528 992 HD1 HIS 121 HD1 HIS 121 18.283 -3.046 -18.594 993 HD2 HIS 121 HD2 HIS 121 18.576 -7.188 -18.222 994 HE1 HIS 121 HE1 HIS 121 20.659 -3.656 -19.224 995 H HIS 122 H HIS 122 13.560 -5.683 -19.994 996 HA HIS 122 HA HIS 122 14.929 -7.936 -21.259 997 HB2 HIS 122 1HB HIS 122 12.047 -7.022 -21.309 998 HB3 HIS 122 2HB HIS 122 12.624 -8.511 -22.056 999 HD1 HIS 122 HD1 HIS 122 12.058 -6.908 -18.700 1000 HD2 HIS 122 HD2 HIS 122 13.328 -10.572 -20.229 1001 HE1 HIS 122 HE1 HIS 122 12.120 -8.517 -16.744 1002 H HIS 123 H HIS 123 15.284 -8.225 -23.455 1003 HA HIS 123 HA HIS 123 15.354 -5.789 -25.084 1004 HB2 HIS 123 1HB HIS 123 16.152 -8.649 -25.679 1005 HB3 HIS 123 2HB HIS 123 16.425 -7.288 -26.767 1006 HD1 HIS 123 HD1 HIS 123 17.829 -5.220 -25.576 1007 HD2 HIS 123 HD2 HIS 123 18.218 -9.008 -23.879 1008 HE1 HIS 123 HE1 HIS 123 19.924 -5.157 -24.153 1009 H HIS 124 H HIS 124 14.000 -5.290 -26.757 1010 HA HIS 124 HA HIS 124 11.449 -6.607 -26.976 1011 HB2 HIS 124 1HB HIS 124 11.118 -5.073 -28.916 1012 HB3 HIS 124 2HB HIS 124 11.687 -4.229 -27.475 1013 HD1 HIS 124 HD1 HIS 124 14.713 -5.391 -27.926 1014 HD2 HIS 124 HD2 HIS 124 12.434 -3.158 -30.610 1015 HE1 HIS 124 HE1 HIS 124 16.350 -4.281 -29.507 1016 H HIS 125 H HIS 125 14.387 -6.640 -28.973 1017 HA HIS 125 HA HIS 125 13.691 -9.267 -30.027 1018 HB2 HIS 125 1HB HIS 125 13.599 -8.600 -32.384 1019 HB3 HIS 125 2HB HIS 125 12.331 -7.777 -31.477 1020 HD1 HIS 125 HD1 HIS 125 16.026 -6.951 -32.027 1021 HD2 HIS 125 HD2 HIS 125 12.270 -5.178 -32.389 1022 HE1 HIS 125 HE1 HIS 125 16.428 -4.567 -32.785 Start of MODEL 12 1 H1 MET 1 1H MET 1 -8.336 9.007 0.631 2 H2 MET 1 2H MET 1 -8.082 8.127 2.063 3 H3 MET 1 3H MET 1 -9.650 8.617 1.630 4 HA MET 1 HA MET 1 -9.723 7.135 -0.198 5 HB2 MET 1 1HB MET 1 -7.317 7.495 -0.815 6 HB3 MET 1 2HB MET 1 -6.860 6.418 0.503 7 HG2 MET 1 1HG MET 1 -6.914 5.075 -1.484 8 HG3 MET 1 2HG MET 1 -8.361 4.662 -0.570 9 HE1 MET 1 3HE MET 1 -7.347 4.969 -4.079 10 HE2 MET 1 1HE MET 1 -6.731 6.480 -3.394 11 HE3 MET 1 2HE MET 1 -7.957 6.516 -4.658 12 H ASN 2 H ASN 2 -10.888 5.398 0.426 13 HA ASN 2 HA ASN 2 -10.445 4.288 3.143 14 HB2 ASN 2 1HB ASN 2 -12.713 4.087 1.154 15 HB3 ASN 2 2HB ASN 2 -12.662 3.135 2.639 16 HD21 ASN 2 2HD2 ASN 2 -14.721 5.061 2.252 17 HD22 ASN 2 1HD2 ASN 2 -14.483 6.343 3.340 18 H ARG 3 H ARG 3 -10.602 1.933 3.433 19 HA ARG 3 HA ARG 3 -8.737 0.487 1.834 20 HB2 ARG 3 1HB ARG 3 -9.317 -0.057 4.196 21 HB3 ARG 3 2HB ARG 3 -10.902 -0.606 3.653 22 HG2 ARG 3 1HG ARG 3 -9.837 -2.318 2.233 23 HG3 ARG 3 2HG ARG 3 -8.245 -1.767 2.757 24 HD2 ARG 3 1HD ARG 3 -8.905 -2.283 5.119 25 HD3 ARG 3 2HD ARG 3 -10.410 -2.968 4.511 26 HE ARG 3 HE ARG 3 -7.725 -4.164 4.258 27 HH11 ARG 3 1HH2 ARG 3 -11.037 -4.090 3.269 28 HH12 ARG 3 2HH2 ARG 3 -11.030 -5.721 2.687 29 HH21 ARG 3 1HH1 ARG 3 -7.710 -6.283 3.504 30 HH22 ARG 3 2HH1 ARG 3 -9.149 -6.961 2.819 31 H GLN 4 H GLN 4 -12.302 0.466 1.861 32 HA GLN 4 HA GLN 4 -12.654 -1.622 -0.044 33 HB2 GLN 4 1HB GLN 4 -14.404 -0.394 1.444 34 HB3 GLN 4 2HB GLN 4 -14.492 0.769 0.123 35 HG2 GLN 4 1HG GLN 4 -14.902 -2.221 -0.204 36 HG3 GLN 4 2HG GLN 4 -16.208 -1.047 -0.047 37 HE21 GLN 4 2HE2 GLN 4 -14.729 -2.782 -2.380 38 HE22 GLN 4 1HE2 GLN 4 -14.807 -1.690 -3.678 39 H GLN 5 H GLN 5 -12.175 1.865 -0.463 40 HA GLN 5 HA GLN 5 -12.626 1.939 -3.288 41 HB2 GLN 5 1HB GLN 5 -10.922 3.670 -1.477 42 HB3 GLN 5 2HB GLN 5 -11.225 4.039 -3.175 43 HG2 GLN 5 1HG GLN 5 -13.644 4.105 -2.750 44 HG3 GLN 5 2HG GLN 5 -13.369 3.682 -1.060 45 HE21 GLN 5 2HE2 GLN 5 -13.892 6.315 -3.073 46 HE22 GLN 5 1HE2 GLN 5 -13.209 7.530 -2.105 47 H PHE 6 H PHE 6 -9.776 1.225 -1.333 48 HA PHE 6 HA PHE 6 -7.835 1.193 -3.425 49 HB2 PHE 6 1HB PHE 6 -7.363 1.077 -0.946 50 HB3 PHE 6 2HB PHE 6 -7.901 -0.602 -0.983 51 HD1 PHE 6 HD2 PHE 6 -5.310 1.769 -2.117 52 HD2 PHE 6 HD1 PHE 6 -6.572 -2.334 -2.043 53 HE1 PHE 6 HE2 PHE 6 -3.059 1.063 -2.882 54 HE2 PHE 6 HE1 PHE 6 -4.318 -3.043 -2.800 55 HZ PHE 6 HZ PHE 6 -2.563 -1.343 -3.221 56 H ILE 7 H ILE 7 -9.961 -1.349 -2.135 57 HA ILE 7 HA ILE 7 -9.013 -3.496 -3.757 58 HB ILE 7 HB ILE 7 -11.835 -3.015 -2.762 59 HG12 ILE 7 1HG1 ILE 7 -10.258 -2.849 -0.912 60 HG13 ILE 7 2HG1 ILE 7 -11.126 -4.374 -0.801 61 HG21 ILE 7 1HG2 ILE 7 -11.934 -5.512 -2.774 62 HG22 ILE 7 2HG2 ILE 7 -10.359 -5.534 -3.569 63 HG23 ILE 7 3HG2 ILE 7 -11.750 -4.814 -4.383 64 HD11 ILE 7 3HD1 ILE 7 -9.071 -5.308 -2.176 65 HD12 ILE 7 1HD1 ILE 7 -8.930 -5.065 -0.439 66 HD13 ILE 7 2HD1 ILE 7 -8.263 -3.875 -1.553 67 H ASP 8 H ASP 8 -11.726 -1.226 -4.299 68 HA ASP 8 HA ASP 8 -12.444 -2.270 -6.877 69 HB2 ASP 8 1HB ASP 8 -13.919 -0.806 -5.512 70 HB3 ASP 8 2HB ASP 8 -12.808 0.536 -5.787 71 H TYR 9 H TYR 9 -10.284 0.351 -5.858 72 HA TYR 9 HA TYR 9 -9.621 1.338 -8.449 73 HB2 TYR 9 1HB TYR 9 -9.038 2.589 -6.450 74 HB3 TYR 9 2HB TYR 9 -8.024 1.267 -5.873 75 HD1 TYR 9 HD2 TYR 9 -5.874 0.759 -6.938 76 HD2 TYR 9 HD1 TYR 9 -8.297 4.054 -8.252 77 HE1 TYR 9 HE2 TYR 9 -3.944 1.673 -8.199 78 HE2 TYR 9 HE1 TYR 9 -6.367 4.968 -9.513 79 HH TYR 9 HH TYR 9 -3.323 4.231 -9.006 80 H ALA 10 H ALA 10 -8.002 -1.108 -6.421 81 HA ALA 10 HA ALA 10 -5.889 -1.707 -8.232 82 HB1 ALA 10 3HB ALA 10 -7.189 -3.729 -6.402 83 HB2 ALA 10 1HB ALA 10 -6.169 -2.429 -5.781 84 HB3 ALA 10 2HB ALA 10 -5.497 -3.627 -6.887 85 H GLN 11 H GLN 11 -9.081 -3.245 -7.825 86 HA GLN 11 HA GLN 11 -8.721 -5.235 -9.833 87 HB2 GLN 11 1HB GLN 11 -11.210 -3.926 -8.723 88 HB3 GLN 11 2HB GLN 11 -11.252 -5.286 -9.845 89 HG2 GLN 11 1HG GLN 11 -9.956 -6.653 -8.275 90 HG3 GLN 11 2HG GLN 11 -9.833 -5.289 -7.165 91 HE21 GLN 11 2HE2 GLN 11 -11.607 -8.074 -7.720 92 HE22 GLN 11 1HE2 GLN 11 -13.040 -7.648 -6.915 93 H LYS 12 H LYS 12 -9.757 -1.867 -10.048 94 HA LYS 12 HA LYS 12 -10.804 -1.991 -12.713 95 HB2 LYS 12 1HB LYS 12 -11.127 -0.066 -11.148 96 HB3 LYS 12 2HB LYS 12 -9.427 0.350 -11.366 97 HG2 LYS 12 1HG LYS 12 -9.784 0.662 -13.773 98 HG3 LYS 12 2HG LYS 12 -11.475 0.192 -13.598 99 HD2 LYS 12 1HD LYS 12 -11.850 2.114 -12.084 100 HD3 LYS 12 2HD LYS 12 -10.163 2.593 -12.283 101 HE2 LYS 12 1HE LYS 12 -10.517 2.886 -14.702 102 HE3 LYS 12 2HE LYS 12 -12.199 2.384 -14.524 103 HZ1 LYS 12 3HZ LYS 12 -12.613 4.536 -14.209 104 HZ2 LYS 12 1HZ LYS 12 -10.980 4.919 -13.960 105 HZ3 LYS 12 2HZ LYS 12 -11.922 4.345 -12.668 106 H LYS 13 H LYS 13 -7.558 -1.140 -11.501 107 HA LYS 13 HA LYS 13 -6.508 -1.060 -14.258 108 HB2 LYS 13 1HB LYS 13 -5.258 -0.539 -11.557 109 HB3 LYS 13 2HB LYS 13 -4.368 -0.447 -13.078 110 HG2 LYS 13 1HG LYS 13 -5.968 1.247 -13.906 111 HG3 LYS 13 2HG LYS 13 -6.839 1.166 -12.374 112 HD2 LYS 13 1HD LYS 13 -4.825 1.913 -11.175 113 HD3 LYS 13 2HD LYS 13 -3.932 1.972 -12.694 114 HE2 LYS 13 1HE LYS 13 -5.528 3.660 -13.556 115 HE3 LYS 13 2HE LYS 13 -6.387 3.619 -12.017 116 HZ1 LYS 13 3HZ LYS 13 -4.980 5.175 -11.341 117 HZ2 LYS 13 1HZ LYS 13 -3.991 4.993 -12.706 118 HZ3 LYS 13 2HZ LYS 13 -3.757 3.995 -11.350 119 H TYR 14 H TYR 14 -6.827 -3.470 -11.820 120 HA TYR 14 HA TYR 14 -4.803 -5.155 -13.267 121 HB2 TYR 14 1HB TYR 14 -5.214 -4.989 -10.268 122 HB3 TYR 14 2HB TYR 14 -4.179 -6.158 -11.083 123 HD1 TYR 14 HD2 TYR 14 -2.234 -5.347 -12.464 124 HD2 TYR 14 HD1 TYR 14 -4.486 -2.738 -9.899 125 HE1 TYR 14 HE2 TYR 14 -0.395 -3.687 -12.539 126 HE2 TYR 14 HE1 TYR 14 -2.645 -1.076 -9.976 127 HH TYR 14 HH TYR 14 -0.018 -1.266 -10.418 128 H ASP 15 H ASP 15 -7.953 -4.900 -11.861 129 HA ASP 15 HA ASP 15 -9.657 -6.507 -11.548 130 HB2 ASP 15 1HB ASP 15 -10.138 -7.780 -13.537 131 HB3 ASP 15 2HB ASP 15 -9.467 -6.238 -14.058 132 H THR 16 H THR 16 -7.111 -7.093 -10.235 133 HA THR 16 HA THR 16 -6.963 -10.070 -10.398 134 HB THR 16 HB THR 16 -5.145 -8.046 -9.064 135 HG1 THR 16 HG1 THR 16 -5.068 -8.126 -11.351 136 HG21 THR 16 3HG2 THR 16 -5.028 -10.068 -7.797 137 HG22 THR 16 1HG2 THR 16 -3.645 -10.103 -8.891 138 HG23 THR 16 2HG2 THR 16 -5.080 -11.062 -9.253 139 H LYS 17 H LYS 17 -7.593 -11.333 -8.722 140 HA LYS 17 HA LYS 17 -9.130 -10.093 -6.564 141 HB2 LYS 17 1HB LYS 17 -8.468 -13.032 -6.817 142 HB3 LYS 17 2HB LYS 17 -9.895 -12.297 -6.092 143 HG2 LYS 17 1HG LYS 17 -9.182 -12.305 -9.037 144 HG3 LYS 17 2HG LYS 17 -10.479 -13.221 -8.271 145 HD2 LYS 17 1HD LYS 17 -11.411 -10.981 -7.474 146 HD3 LYS 17 2HD LYS 17 -10.267 -10.220 -8.581 147 HE2 LYS 17 1HE LYS 17 -12.467 -12.170 -9.306 148 HE3 LYS 17 2HE LYS 17 -12.381 -10.461 -9.734 149 HZ1 LYS 17 3HZ LYS 17 -11.668 -12.040 -11.513 150 HZ2 LYS 17 1HZ LYS 17 -10.334 -12.445 -10.547 151 HZ3 LYS 17 2HZ LYS 17 -10.520 -10.854 -11.113 152 HA PRO 18 HA PRO 18 -5.818 -10.096 -3.597 153 HB2 PRO 18 1HB PRO 18 -7.229 -10.431 -1.252 154 HB3 PRO 18 2HB PRO 18 -7.184 -8.909 -2.163 155 HG2 PRO 18 1HG PRO 18 -9.287 -11.026 -2.134 156 HG3 PRO 18 2HG PRO 18 -9.464 -9.261 -2.133 157 HD2 PRO 18 1HD PRO 18 -9.781 -10.742 -4.393 158 HD3 PRO 18 2HD PRO 18 -9.135 -9.089 -4.432 159 H ASP 19 H ASP 19 -4.477 -11.550 -2.516 160 HA ASP 19 HA ASP 19 -5.460 -14.376 -2.256 161 HB2 ASP 19 1HB ASP 19 -2.764 -13.329 -3.150 162 HB3 ASP 19 2HB ASP 19 -3.063 -15.014 -2.716 163 H HIS 20 H HIS 20 -4.883 -15.457 -0.397 164 HA HIS 20 HA HIS 20 -3.391 -13.894 1.685 165 HB2 HIS 20 1HB HIS 20 -4.856 -15.270 3.300 166 HB3 HIS 20 2HB HIS 20 -5.627 -13.937 2.445 167 HD1 HIS 20 HD1 HIS 20 -7.898 -15.298 2.825 168 HD2 HIS 20 HD2 HIS 20 -5.158 -17.105 0.254 169 HE1 HIS 20 HE1 HIS 20 -9.175 -17.074 1.552 170 HA PRO 21 HA PRO 21 -0.995 -17.770 0.709 171 HB2 PRO 21 1HB PRO 21 1.059 -16.141 2.158 172 HB3 PRO 21 2HB PRO 21 1.202 -17.029 0.629 173 HG2 PRO 21 1HG PRO 21 1.033 -14.354 0.711 174 HG3 PRO 21 2HG PRO 21 0.325 -15.301 -0.610 175 HD2 PRO 21 1HD PRO 21 -1.046 -13.933 1.669 176 HD3 PRO 21 2HD PRO 21 -1.634 -14.236 0.020 177 H TRP 22 H TRP 22 -1.020 -15.827 3.685 178 HA TRP 22 HA TRP 22 -0.479 -18.216 5.334 179 HB2 TRP 22 1HB TRP 22 -0.957 -15.321 6.104 180 HB3 TRP 22 2HB TRP 22 -0.477 -16.610 7.209 181 HD1 TRP 22 HD1 TRP 22 1.928 -17.815 6.672 182 HE1 TRP 22 HE1 TRP 22 4.086 -16.798 5.696 183 HE3 TRP 22 HE3 TRP 22 0.028 -13.566 4.567 184 HZ2 TRP 22 HZ2 TRP 22 4.900 -14.489 4.218 185 HZ3 TRP 22 HZ3 TRP 22 1.517 -11.977 3.382 186 HH2 TRP 22 HH2 TRP 22 3.948 -12.433 3.204 187 H GLU 23 H GLU 23 -2.000 -19.268 6.513 188 HA GLU 23 HA GLU 23 -4.832 -18.622 6.023 189 HB2 GLU 23 1HB GLU 23 -5.236 -20.773 7.189 190 HB3 GLU 23 2HB GLU 23 -4.076 -20.954 5.873 191 HG2 GLU 23 1HG GLU 23 -2.214 -20.769 7.502 192 HG3 GLU 23 2HG GLU 23 -3.385 -20.640 8.814 193 H LYS 24 H LYS 24 -2.460 -18.234 8.514 194 HA LYS 24 HA LYS 24 -4.344 -17.954 10.715 195 HB2 LYS 24 1HB LYS 24 -1.449 -17.090 10.415 196 HB3 LYS 24 2HB LYS 24 -2.359 -17.034 11.925 197 HG2 LYS 24 1HG LYS 24 -2.719 -19.468 11.809 198 HG3 LYS 24 2HG LYS 24 -1.834 -19.532 10.285 199 HD2 LYS 24 1HD LYS 24 0.171 -18.610 11.456 200 HD3 LYS 24 2HD LYS 24 -0.719 -18.692 12.978 201 HE2 LYS 24 1HE LYS 24 -0.123 -21.049 11.165 202 HE3 LYS 24 2HE LYS 24 0.714 -20.682 12.673 203 HZ1 LYS 24 3HZ LYS 24 -2.102 -20.695 13.042 204 HZ2 LYS 24 1HZ LYS 24 -0.913 -21.609 13.835 205 HZ3 LYS 24 2HZ LYS 24 -1.581 -22.170 12.377 206 H PHE 25 H PHE 25 -3.678 -16.078 8.048 207 HA PHE 25 HA PHE 25 -4.790 -13.643 9.376 208 HB2 PHE 25 1HB PHE 25 -2.509 -13.668 7.382 209 HB3 PHE 25 2HB PHE 25 -3.268 -12.232 8.071 210 HD1 PHE 25 HD1 PHE 25 -1.332 -15.293 8.917 211 HD2 PHE 25 HD2 PHE 25 -2.676 -11.438 10.244 212 HE1 PHE 25 HE1 PHE 25 0.166 -15.454 10.887 213 HE2 PHE 25 HE2 PHE 25 -1.179 -11.595 12.215 214 HZ PHE 25 HZ PHE 25 0.243 -13.601 12.537 215 HA PRO 26 HA PRO 26 -6.997 -14.862 5.442 216 HB2 PRO 26 1HB PRO 26 -9.532 -14.903 6.485 217 HB3 PRO 26 2HB PRO 26 -8.448 -16.307 6.529 218 HG2 PRO 26 1HG PRO 26 -9.111 -14.359 8.686 219 HG3 PRO 26 2HG PRO 26 -8.841 -16.108 8.790 220 HD2 PRO 26 1HD PRO 26 -6.954 -14.218 9.485 221 HD3 PRO 26 2HD PRO 26 -6.543 -15.868 8.972 222 H ASP 27 H ASP 27 -7.064 -12.307 7.685 223 HA ASP 27 HA ASP 27 -8.927 -10.613 6.148 224 HB2 ASP 27 1HB ASP 27 -8.259 -8.894 7.879 225 HB3 ASP 27 2HB ASP 27 -8.963 -10.361 8.559 226 H TYR 28 H TYR 28 -5.793 -11.587 5.797 227 HA TYR 28 HA TYR 28 -4.670 -9.000 4.949 228 HB2 TYR 28 1HB TYR 28 -3.633 -11.805 5.229 229 HB3 TYR 28 2HB TYR 28 -2.755 -10.678 4.200 230 HD1 TYR 28 HD1 TYR 28 -4.657 -9.781 7.291 231 HD2 TYR 28 HD2 TYR 28 -0.794 -10.363 5.503 232 HE1 TYR 28 HE1 TYR 28 -3.593 -8.756 9.267 233 HE2 TYR 28 HE2 TYR 28 0.272 -9.337 7.491 234 HH TYR 28 HH TYR 28 -1.516 -8.657 10.382 235 H ALA 29 H ALA 29 -4.305 -8.389 2.841 236 HA ALA 29 HA ALA 29 -5.332 -10.202 0.679 237 HB1 ALA 29 3HB ALA 29 -5.976 -7.945 -0.433 238 HB2 ALA 29 1HB ALA 29 -5.847 -7.275 1.193 239 HB3 ALA 29 2HB ALA 29 -7.012 -8.554 0.856 240 H VAL 30 H VAL 30 -3.859 -10.529 -0.907 241 HA VAL 30 HA VAL 30 -1.662 -8.521 -1.265 242 HB VAL 30 HB VAL 30 -1.333 -11.533 -1.277 243 HG11 VAL 30 1HG1 VAL 30 1.109 -10.857 -1.340 244 HG12 VAL 30 2HG1 VAL 30 0.572 -9.206 -1.646 245 HG13 VAL 30 3HG1 VAL 30 0.204 -10.481 -2.806 246 HG21 VAL 30 3HG2 VAL 30 -0.845 -9.401 0.804 247 HG22 VAL 30 1HG2 VAL 30 0.185 -10.833 0.759 248 HG23 VAL 30 2HG2 VAL 30 -1.552 -11.004 0.999 249 H PHE 31 H PHE 31 -1.361 -7.944 -3.327 250 HA PHE 31 HA PHE 31 -2.741 -9.541 -5.467 251 HB2 PHE 31 1HB PHE 31 -1.881 -6.633 -5.496 252 HB3 PHE 31 2HB PHE 31 -2.805 -7.462 -6.745 253 HD1 PHE 31 HD2 PHE 31 -5.113 -8.281 -6.255 254 HD2 PHE 31 HD1 PHE 31 -2.910 -5.860 -3.474 255 HE1 PHE 31 HE2 PHE 31 -7.211 -7.776 -5.032 256 HE2 PHE 31 HE1 PHE 31 -5.006 -5.355 -2.251 257 HZ PHE 31 HZ PHE 31 -7.153 -6.313 -3.028 258 H ARG 32 H ARG 32 -1.508 -10.282 -7.201 259 HA ARG 32 HA ARG 32 1.303 -9.328 -7.439 260 HB2 ARG 32 1HB ARG 32 1.989 -11.789 -7.715 261 HB3 ARG 32 2HB ARG 32 1.653 -11.246 -6.071 262 HG2 ARG 32 1HG ARG 32 -0.614 -12.189 -6.209 263 HG3 ARG 32 2HG ARG 32 -0.312 -12.697 -7.871 264 HD2 ARG 32 1HD ARG 32 0.047 -14.615 -6.430 265 HD3 ARG 32 2HD ARG 32 1.617 -14.080 -7.027 266 HE ARG 32 HE ARG 32 1.064 -12.789 -4.530 267 HH11 ARG 32 1HH2 ARG 32 1.841 -15.862 -5.915 268 HH12 ARG 32 2HH2 ARG 32 2.655 -16.435 -4.498 269 HH21 ARG 32 1HH1 ARG 32 2.119 -13.533 -2.684 270 HH22 ARG 32 2HH1 ARG 32 2.812 -15.121 -2.673 271 H HIS 33 H HIS 33 1.843 -9.041 -9.530 272 HA HIS 33 HA HIS 33 0.027 -10.175 -11.612 273 HB2 HIS 33 1HB HIS 33 0.671 -7.598 -11.308 274 HB3 HIS 33 2HB HIS 33 2.086 -8.076 -12.241 275 HD1 HIS 33 HD1 HIS 33 0.030 -10.358 -13.631 276 HD2 HIS 33 HD2 HIS 33 -0.149 -6.197 -13.779 277 HE1 HIS 33 HE1 HIS 33 -1.347 -9.775 -15.673 278 H SER 34 H SER 34 0.803 -12.059 -12.369 279 HA SER 34 HA SER 34 3.588 -12.816 -12.272 280 HB2 SER 34 1HB SER 34 2.822 -14.771 -13.594 281 HB3 SER 34 2HB SER 34 1.790 -14.476 -12.196 282 HG SER 34 HG SER 34 1.246 -13.356 -14.736 283 H ASP 35 H ASP 35 1.744 -10.944 -14.488 284 HA ASP 35 HA ASP 35 3.529 -11.495 -16.780 285 HB2 ASP 35 1HB ASP 35 1.218 -9.569 -16.420 286 HB3 ASP 35 2HB ASP 35 2.110 -9.786 -17.924 287 H ASN 36 H ASN 36 3.653 -9.589 -14.037 288 HA ASN 36 HA ASN 36 5.266 -7.449 -15.384 289 HB2 ASN 36 1HB ASN 36 3.279 -6.867 -13.850 290 HB3 ASN 36 2HB ASN 36 4.297 -7.427 -12.520 291 HD21 ASN 36 2HD2 ASN 36 4.565 -5.247 -15.388 292 HD22 ASN 36 1HD2 ASN 36 5.489 -4.069 -14.587 293 H ASP 37 H ASP 37 5.568 -10.350 -13.791 294 HA ASP 37 HA ASP 37 7.362 -11.457 -12.783 295 HB2 ASP 37 1HB ASP 37 8.555 -10.584 -14.804 296 HB3 ASP 37 2HB ASP 37 9.007 -9.155 -13.878 297 H LYS 38 H LYS 38 8.303 -8.038 -12.387 298 HA LYS 38 HA LYS 38 8.835 -8.531 -9.532 299 HB2 LYS 38 1HB LYS 38 9.470 -6.004 -9.684 300 HB3 LYS 38 2HB LYS 38 10.502 -7.179 -10.494 301 HG2 LYS 38 1HG LYS 38 9.418 -6.732 -12.631 302 HG3 LYS 38 2HG LYS 38 8.264 -5.648 -11.856 303 HD2 LYS 38 1HD LYS 38 10.123 -4.169 -11.173 304 HD3 LYS 38 2HD LYS 38 11.268 -5.254 -11.960 305 HE2 LYS 38 1HE LYS 38 10.190 -4.857 -14.128 306 HE3 LYS 38 2HE LYS 38 8.998 -3.810 -13.359 307 HZ1 LYS 38 3HZ LYS 38 11.762 -3.147 -12.809 308 HZ2 LYS 38 1HZ LYS 38 10.456 -2.133 -13.183 309 HZ3 LYS 38 2HZ LYS 38 11.286 -2.940 -14.426 310 H TRP 39 H TRP 39 6.664 -8.876 -8.816 311 HA TRP 39 HA TRP 39 4.904 -6.446 -8.859 312 HB2 TRP 39 1HB TRP 39 3.025 -7.936 -8.580 313 HB3 TRP 39 2HB TRP 39 3.985 -8.510 -9.941 314 HD1 TRP 39 HD1 TRP 39 3.323 -9.272 -6.229 315 HE1 TRP 39 HE1 TRP 39 3.887 -11.748 -5.790 316 HE3 TRP 39 HE3 TRP 39 5.278 -10.554 -10.773 317 HZ2 TRP 39 HZ2 TRP 39 5.015 -13.978 -7.180 318 HZ3 TRP 39 HZ3 TRP 39 6.088 -12.860 -11.185 319 HH2 TRP 39 HH2 TRP 39 5.960 -14.572 -9.396 320 H TYR 40 H TYR 40 4.096 -5.688 -6.913 321 HA TYR 40 HA TYR 40 4.500 -7.209 -4.439 322 HB2 TYR 40 1HB TYR 40 5.977 -4.601 -4.930 323 HB3 TYR 40 2HB TYR 40 5.860 -5.417 -3.369 324 HD1 TYR 40 HD1 TYR 40 6.849 -7.694 -3.072 325 HD2 TYR 40 HD2 TYR 40 7.483 -5.371 -6.626 326 HE1 TYR 40 HE1 TYR 40 8.759 -9.151 -3.682 327 HE2 TYR 40 HE2 TYR 40 9.396 -6.827 -7.238 328 HH TYR 40 HH TYR 40 10.382 -9.538 -5.136 329 H ALA 41 H ALA 41 2.655 -6.850 -3.361 330 HA ALA 41 HA ALA 41 1.623 -4.127 -3.016 331 HB1 ALA 41 3HB ALA 41 0.219 -6.201 -4.678 332 HB2 ALA 41 1HB ALA 41 0.402 -4.477 -4.989 333 HB3 ALA 41 2HB ALA 41 -0.729 -5.032 -3.756 334 H LEU 42 H LEU 42 1.615 -4.268 -0.814 335 HA LEU 42 HA LEU 42 0.321 -6.660 0.450 336 HB2 LEU 42 1HB LEU 42 2.559 -4.840 1.260 337 HB3 LEU 42 2HB LEU 42 1.582 -5.560 2.534 338 HG LEU 42 HG LEU 42 3.617 -6.904 1.915 339 HD11 LEU 42 1HD1 LEU 42 2.543 -8.894 2.352 340 HD12 LEU 42 2HD1 LEU 42 1.310 -8.635 1.127 341 HD13 LEU 42 3HD1 LEU 42 1.186 -7.821 2.683 342 HD21 LEU 42 3HD2 LEU 42 2.157 -7.657 -0.617 343 HD22 LEU 42 1HD2 LEU 42 3.856 -7.892 -0.210 344 HD23 LEU 42 2HD2 LEU 42 3.261 -6.281 -0.604 345 H LEU 43 H LEU 43 -1.507 -6.367 1.544 346 HA LEU 43 HA LEU 43 -2.224 -3.613 2.445 347 HB2 LEU 43 1HB LEU 43 -3.339 -4.203 0.248 348 HB3 LEU 43 2HB LEU 43 -4.153 -5.522 1.083 349 HG LEU 43 HG LEU 43 -4.368 -2.832 2.392 350 HD11 LEU 43 1HD1 LEU 43 -5.847 -3.499 -0.162 351 HD12 LEU 43 2HD1 LEU 43 -4.643 -2.225 0.033 352 HD13 LEU 43 3HD1 LEU 43 -6.181 -2.122 0.888 353 HD21 LEU 43 3HD2 LEU 43 -6.350 -5.048 1.777 354 HD22 LEU 43 1HD2 LEU 43 -6.691 -3.616 2.742 355 HD23 LEU 43 2HD2 LEU 43 -5.523 -4.801 3.313 356 H MET 44 H MET 44 -2.563 -3.729 4.597 357 HA MET 44 HA MET 44 -4.229 -5.859 5.706 358 HB2 MET 44 1HB MET 44 -2.299 -6.471 7.378 359 HB3 MET 44 2HB MET 44 -2.316 -7.216 5.780 360 HG2 MET 44 1HG MET 44 -0.725 -5.554 4.949 361 HG3 MET 44 2HG MET 44 -0.747 -4.729 6.509 362 HE1 MET 44 3HE MET 44 2.160 -6.057 5.120 363 HE2 MET 44 1HE MET 44 2.698 -6.007 6.805 364 HE3 MET 44 2HE MET 44 1.620 -4.760 6.186 365 H ASP 45 H ASP 45 -4.543 -5.560 8.069 366 HA ASP 45 HA ASP 45 -4.291 -2.680 8.809 367 HB2 ASP 45 1HB ASP 45 -6.062 -3.220 10.492 368 HB3 ASP 45 2HB ASP 45 -6.581 -3.472 8.827 369 H ILE 46 H ILE 46 -2.674 -2.224 10.177 370 HA ILE 46 HA ILE 46 -1.891 -4.294 12.180 371 HB ILE 46 HB ILE 46 0.425 -3.481 12.018 372 HG12 ILE 46 1HG1 ILE 46 -0.678 -1.812 9.733 373 HG13 ILE 46 2HG1 ILE 46 -0.058 -1.185 11.261 374 HG21 ILE 46 1HG2 ILE 46 0.927 -4.613 9.982 375 HG22 ILE 46 2HG2 ILE 46 -0.629 -4.181 9.273 376 HG23 ILE 46 3HG2 ILE 46 -0.554 -5.357 10.584 377 HD11 ILE 46 3HD1 ILE 46 1.506 -2.704 9.157 378 HD12 ILE 46 1HD1 ILE 46 2.137 -2.297 10.753 379 HD13 ILE 46 2HD1 ILE 46 1.711 -1.015 9.619 380 HA PRO 47 HA PRO 47 -2.780 -1.403 15.436 381 HB2 PRO 47 1HB PRO 47 -0.034 -2.039 16.451 382 HB3 PRO 47 2HB PRO 47 -1.585 -2.066 17.312 383 HG2 PRO 47 1HG PRO 47 -0.362 -4.313 16.487 384 HG3 PRO 47 2HG PRO 47 -2.126 -4.157 16.542 385 HD2 PRO 47 1HD PRO 47 -0.333 -4.236 14.176 386 HD3 PRO 47 2HD PRO 47 -2.064 -4.625 14.314 387 H ALA 48 H ALA 48 -2.478 0.771 15.778 388 HA ALA 48 HA ALA 48 -0.840 2.299 14.009 389 HB1 ALA 48 3HB ALA 48 -1.881 3.345 16.639 390 HB2 ALA 48 1HB ALA 48 -2.974 2.991 15.300 391 HB3 ALA 48 2HB ALA 48 -1.705 4.199 15.107 392 H GLU 49 H GLU 49 -0.208 0.897 17.129 393 HA GLU 49 HA GLU 49 1.969 2.595 17.904 394 HB2 GLU 49 1HB GLU 49 2.633 0.596 19.335 395 HB3 GLU 49 2HB GLU 49 1.006 1.221 19.598 396 HG2 GLU 49 1HG GLU 49 0.055 -0.525 18.204 397 HG3 GLU 49 2HG GLU 49 1.664 -1.112 17.776 398 H LYS 50 H LYS 50 1.730 -0.145 15.750 399 HA LYS 50 HA LYS 50 4.512 -0.796 15.583 400 HB2 LYS 50 1HB LYS 50 2.269 -1.107 13.579 401 HB3 LYS 50 2HB LYS 50 3.871 -1.805 13.371 402 HG2 LYS 50 1HG LYS 50 2.199 -2.331 15.837 403 HG3 LYS 50 2HG LYS 50 2.058 -3.327 14.391 404 HD2 LYS 50 1HD LYS 50 4.631 -3.611 14.570 405 HD3 LYS 50 2HD LYS 50 4.453 -2.985 16.207 406 HE2 LYS 50 1HE LYS 50 4.359 -5.392 16.320 407 HE3 LYS 50 2HE LYS 50 2.737 -4.770 16.630 408 HZ1 LYS 50 3HZ LYS 50 3.498 -5.392 13.870 409 HZ2 LYS 50 1HZ LYS 50 1.977 -5.477 14.616 410 HZ3 LYS 50 2HZ LYS 50 3.139 -6.681 14.916 411 H ILE 51 H ILE 51 2.550 1.614 13.887 412 HA ILE 51 HA ILE 51 4.808 2.316 12.132 413 HB ILE 51 HB ILE 51 3.212 4.148 11.367 414 HG12 ILE 51 1HG1 ILE 51 1.273 2.588 13.105 415 HG13 ILE 51 2HG1 ILE 51 1.880 4.197 13.491 416 HG21 ILE 51 1HG2 ILE 51 2.221 1.280 11.277 417 HG22 ILE 51 2HG2 ILE 51 3.473 1.953 10.234 418 HG23 ILE 51 3HG2 ILE 51 1.819 2.554 10.124 419 HD11 ILE 51 3HD1 ILE 51 -0.401 4.096 12.323 420 HD12 ILE 51 1HD1 ILE 51 0.467 3.591 10.880 421 HD13 ILE 51 2HD1 ILE 51 0.799 5.164 11.592 422 H GLY 52 H GLY 52 4.237 2.853 15.293 423 HA2 GLY 52 1HA GLY 52 5.698 4.229 16.631 424 HA3 GLY 52 2HA GLY 52 5.899 5.320 15.265 425 H ILE 53 H ILE 53 2.682 4.837 15.227 426 HA ILE 53 HA ILE 53 2.192 7.380 16.578 427 HB ILE 53 HB ILE 53 0.373 5.413 15.180 428 HG12 ILE 53 1HG1 ILE 53 1.266 8.238 14.515 429 HG13 ILE 53 2HG1 ILE 53 1.956 6.775 13.817 430 HG21 ILE 53 1HG2 ILE 53 -0.285 7.993 16.624 431 HG22 ILE 53 2HG2 ILE 53 -1.021 6.406 16.852 432 HG23 ILE 53 3HG2 ILE 53 -1.332 7.315 15.379 433 HD11 ILE 53 3HD1 ILE 53 0.383 7.385 12.202 434 HD12 ILE 53 1HD1 ILE 53 -0.769 7.966 13.400 435 HD13 ILE 53 2HD1 ILE 53 -0.535 6.238 13.175 436 H ASN 54 H ASN 54 1.644 7.646 18.633 437 HA ASN 54 HA ASN 54 1.536 5.511 20.511 438 HB2 ASN 54 1HB ASN 54 2.073 7.935 20.986 439 HB3 ASN 54 2HB ASN 54 0.347 8.276 20.857 440 HD21 ASN 54 2HD2 ASN 54 -0.028 8.757 23.094 441 HD22 ASN 54 1HD2 ASN 54 0.157 7.602 24.325 442 H GLY 55 H GLY 55 -0.021 4.034 19.637 443 HA2 GLY 55 1HA GLY 55 -2.640 4.277 20.739 444 HA3 GLY 55 2HA GLY 55 -2.713 4.632 19.012 445 H ASP 56 H ASP 56 -3.533 2.246 20.826 446 HA ASP 56 HA ASP 56 -2.050 0.049 19.471 447 HB2 ASP 56 1HB ASP 56 -4.161 0.046 21.662 448 HB3 ASP 56 2HB ASP 56 -3.390 -1.404 21.022 449 H LYS 57 H LYS 57 -4.459 2.052 18.666 450 HA LYS 57 HA LYS 57 -6.570 0.258 17.853 451 HB2 LYS 57 1HB LYS 57 -7.436 2.192 16.604 452 HB3 LYS 57 2HB LYS 57 -6.956 2.664 18.234 453 HG2 LYS 57 1HG LYS 57 -4.769 3.446 17.331 454 HG3 LYS 57 2HG LYS 57 -5.327 3.057 15.704 455 HD2 LYS 57 1HD LYS 57 -7.213 4.632 15.974 456 HD3 LYS 57 2HD LYS 57 -6.644 5.029 17.595 457 HE2 LYS 57 1HE LYS 57 -4.519 5.855 16.656 458 HE3 LYS 57 2HE LYS 57 -5.076 5.449 15.032 459 HZ1 LYS 57 3HZ LYS 57 -6.073 7.541 16.858 460 HZ2 LYS 57 1HZ LYS 57 -7.063 6.934 15.622 461 HZ3 LYS 57 2HZ LYS 57 -5.587 7.682 15.236 462 H ARG 58 H ARG 58 -6.974 -0.658 15.850 463 HA ARG 58 HA ARG 58 -4.652 -1.131 14.151 464 HB2 ARG 58 1HB ARG 58 -7.544 -1.990 13.970 465 HB3 ARG 58 2HB ARG 58 -6.308 -2.480 12.808 466 HG2 ARG 58 1HG ARG 58 -4.989 -3.494 14.628 467 HG3 ARG 58 2HG ARG 58 -6.211 -2.990 15.798 468 HD2 ARG 58 1HD ARG 58 -7.900 -4.352 14.618 469 HD3 ARG 58 2HD ARG 58 -6.675 -4.870 13.462 470 HE ARG 58 HE ARG 58 -6.932 -5.787 16.250 471 HH11 ARG 58 1HH2 ARG 58 -5.006 -5.516 13.392 472 HH12 ARG 58 2HH2 ARG 58 -3.977 -6.845 13.808 473 HH21 ARG 58 1HH1 ARG 58 -5.601 -7.518 16.793 474 HH22 ARG 58 2HH1 ARG 58 -4.313 -7.978 15.730 475 H VAL 59 H VAL 59 -4.270 -0.321 12.125 476 HA VAL 59 HA VAL 59 -6.284 1.549 10.946 477 HB VAL 59 HB VAL 59 -4.404 3.065 10.318 478 HG11 VAL 59 1HG1 VAL 59 -4.622 2.549 13.297 479 HG12 VAL 59 2HG1 VAL 59 -5.820 3.426 12.346 480 HG13 VAL 59 3HG1 VAL 59 -4.190 4.074 12.526 481 HG21 VAL 59 3HG2 VAL 59 -2.502 1.605 10.396 482 HG22 VAL 59 1HG2 VAL 59 -2.855 1.122 12.055 483 HG23 VAL 59 2HG2 VAL 59 -2.285 2.752 11.718 484 H ASP 60 H ASP 60 -5.946 1.868 8.615 485 HA ASP 60 HA ASP 60 -5.085 -0.659 7.360 486 HB2 ASP 60 1HB ASP 60 -6.457 1.825 6.307 487 HB3 ASP 60 2HB ASP 60 -6.025 0.451 5.288 488 H VAL 61 H VAL 61 -3.248 -0.909 6.179 489 HA VAL 61 HA VAL 61 -1.737 1.524 5.339 490 HB VAL 61 HB VAL 61 0.373 0.446 6.085 491 HG11 VAL 61 1HG1 VAL 61 -0.916 2.096 7.495 492 HG12 VAL 61 2HG1 VAL 61 0.131 1.017 8.412 493 HG13 VAL 61 3HG1 VAL 61 -1.608 0.725 8.357 494 HG21 VAL 61 3HG2 VAL 61 0.272 -1.455 7.622 495 HG22 VAL 61 1HG2 VAL 61 -0.483 -1.893 6.091 496 HG23 VAL 61 2HG2 VAL 61 -1.484 -1.500 7.487 497 H ILE 62 H ILE 62 -0.331 1.170 3.563 498 HA ILE 62 HA ILE 62 -0.525 -1.469 2.200 499 HB ILE 62 HB ILE 62 -1.054 -0.312 0.051 500 HG12 ILE 62 1HG1 ILE 62 -1.651 2.065 1.843 501 HG13 ILE 62 2HG1 ILE 62 -0.237 1.945 0.797 502 HG21 ILE 62 1HG2 ILE 62 -3.068 0.125 2.273 503 HG22 ILE 62 2HG2 ILE 62 -2.805 -1.395 1.419 504 HG23 ILE 62 3HG2 ILE 62 -3.432 0.006 0.552 505 HD11 ILE 62 3HD1 ILE 62 -1.636 1.817 -1.181 506 HD12 ILE 62 1HD1 ILE 62 -2.139 3.220 -0.237 507 HD13 ILE 62 2HD1 ILE 62 -3.096 1.741 -0.195 508 H ASP 63 H ASP 63 1.237 -1.937 0.894 509 HA ASP 63 HA ASP 63 3.645 -0.357 1.395 510 HB2 ASP 63 1HB ASP 63 3.040 -2.939 -0.035 511 HB3 ASP 63 2HB ASP 63 4.617 -2.173 -0.225 512 H LEU 64 H LEU 64 4.776 0.869 -0.075 513 HA LEU 64 HA LEU 64 3.538 1.226 -2.779 514 HB2 LEU 64 1HB LEU 64 3.208 3.089 -0.915 515 HB3 LEU 64 2HB LEU 64 4.860 3.517 -1.339 516 HG LEU 64 HG LEU 64 3.335 4.848 -2.685 517 HD11 LEU 64 1HD1 LEU 64 4.299 4.486 -4.788 518 HD12 LEU 64 2HD1 LEU 64 4.298 2.738 -4.601 519 HD13 LEU 64 3HD1 LEU 64 5.457 3.724 -3.705 520 HD21 LEU 64 3HD2 LEU 64 2.187 2.517 -4.163 521 HD22 LEU 64 1HD2 LEU 64 1.445 4.054 -3.727 522 HD23 LEU 64 2HD2 LEU 64 1.571 2.769 -2.532 523 H LYS 65 H LYS 65 4.960 0.927 -4.377 524 HA LYS 65 HA LYS 65 7.771 0.435 -3.751 525 HB2 LYS 65 1HB LYS 65 6.487 -0.921 -5.402 526 HB3 LYS 65 2HB LYS 65 6.364 0.509 -6.428 527 HG2 LYS 65 1HG LYS 65 8.783 0.640 -6.622 528 HG3 LYS 65 2HG LYS 65 8.983 -0.693 -5.487 529 HD2 LYS 65 1HD LYS 65 7.304 -1.137 -7.951 530 HD3 LYS 65 2HD LYS 65 9.059 -1.129 -8.112 531 HE2 LYS 65 1HE LYS 65 7.507 -2.872 -6.173 532 HE3 LYS 65 2HE LYS 65 8.183 -3.415 -7.708 533 HZ1 LYS 65 3HZ LYS 65 9.465 -3.267 -5.255 534 HZ2 LYS 65 1HZ LYS 65 10.151 -2.049 -6.218 535 HZ3 LYS 65 2HZ LYS 65 10.151 -3.661 -6.760 536 H VAL 66 H VAL 66 9.398 1.891 -3.986 537 HA VAL 66 HA VAL 66 8.975 4.277 -5.726 538 HB VAL 66 HB VAL 66 9.944 5.735 -3.988 539 HG11 VAL 66 1HG1 VAL 66 7.448 5.319 -4.241 540 HG12 VAL 66 2HG1 VAL 66 7.972 5.932 -2.672 541 HG13 VAL 66 3HG1 VAL 66 7.583 4.224 -2.863 542 HG21 VAL 66 3HG2 VAL 66 11.244 4.258 -2.658 543 HG22 VAL 66 1HG2 VAL 66 9.887 3.163 -2.400 544 HG23 VAL 66 2HG2 VAL 66 9.910 4.739 -1.614 545 H GLN 67 H GLN 67 11.037 5.403 -6.173 546 HA GLN 67 HA GLN 67 13.142 3.427 -6.636 547 HB2 GLN 67 1HB GLN 67 12.799 6.320 -7.426 548 HB3 GLN 67 2HB GLN 67 14.251 5.398 -7.813 549 HG2 GLN 67 1HG GLN 67 12.714 3.669 -8.882 550 HG3 GLN 67 2HG GLN 67 11.415 4.849 -8.713 551 HE21 GLN 67 2HE2 GLN 67 14.463 4.165 -10.385 552 HE22 GLN 67 1HE2 GLN 67 14.295 5.380 -11.557 553 HA PRO 68 HA PRO 68 15.820 4.287 -3.171 554 HB2 PRO 68 1HB PRO 68 17.936 4.920 -5.208 555 HB3 PRO 68 2HB PRO 68 18.005 3.819 -3.819 556 HG2 PRO 68 1HG PRO 68 17.717 2.948 -6.354 557 HG3 PRO 68 2HG PRO 68 17.019 2.098 -4.964 558 HD2 PRO 68 1HD PRO 68 15.644 3.657 -7.078 559 HD3 PRO 68 2HD PRO 68 15.000 2.414 -5.980 560 H GLU 69 H GLU 69 15.606 6.525 -5.852 561 HA GLU 69 HA GLU 69 16.683 8.781 -4.249 562 HB2 GLU 69 1HB GLU 69 15.706 8.588 -7.112 563 HB3 GLU 69 2HB GLU 69 16.354 10.053 -6.376 564 HG2 GLU 69 1HG GLU 69 18.235 9.154 -7.437 565 HG3 GLU 69 2HG GLU 69 18.425 8.558 -5.790 566 H LEU 70 H LEU 70 13.642 7.562 -5.548 567 HA LEU 70 HA LEU 70 12.182 10.002 -4.771 568 HB2 LEU 70 1HB LEU 70 11.211 7.350 -5.887 569 HB3 LEU 70 2HB LEU 70 10.210 8.786 -5.670 570 HG LEU 70 HG LEU 70 12.694 8.645 -7.415 571 HD11 LEU 70 1HD1 LEU 70 9.815 8.886 -8.319 572 HD12 LEU 70 2HD1 LEU 70 10.654 7.338 -8.218 573 HD13 LEU 70 3HD1 LEU 70 11.240 8.591 -9.314 574 HD21 LEU 70 3HD2 LEU 70 12.522 10.908 -6.840 575 HD22 LEU 70 1HD2 LEU 70 10.766 10.844 -6.691 576 HD23 LEU 70 2HD2 LEU 70 11.520 10.851 -8.285 577 H VAL 71 H VAL 71 13.335 7.344 -3.124 578 HA VAL 71 HA VAL 71 11.095 6.718 -1.410 579 HB VAL 71 HB VAL 71 13.073 5.245 -1.603 580 HG11 VAL 71 1HG1 VAL 71 15.225 5.866 -0.886 581 HG12 VAL 71 2HG1 VAL 71 14.621 7.203 0.093 582 HG13 VAL 71 3HG1 VAL 71 14.648 7.339 -1.664 583 HG21 VAL 71 3HG2 VAL 71 11.612 5.379 0.501 584 HG22 VAL 71 1HG2 VAL 71 12.932 6.298 1.227 585 HG23 VAL 71 2HG2 VAL 71 13.200 4.641 0.692 586 H GLY 72 H GLY 72 13.838 8.959 -1.092 587 HA2 GLY 72 1HA GLY 72 13.171 9.916 1.519 588 HA3 GLY 72 2HA GLY 72 14.153 10.786 0.340 589 H SER 73 H SER 73 12.245 11.035 -1.726 590 HA SER 73 HA SER 73 10.835 13.380 -0.911 591 HB2 SER 73 1HB SER 73 11.308 13.172 -3.221 592 HB3 SER 73 2HB SER 73 10.639 11.545 -3.295 593 HG SER 73 HG SER 73 9.406 13.763 -3.849 594 H LEU 74 H LEU 74 9.558 10.134 -1.698 595 HA LEU 74 HA LEU 74 6.876 10.748 -0.850 596 HB2 LEU 74 1HB LEU 74 7.275 8.922 -2.368 597 HB3 LEU 74 2HB LEU 74 8.371 8.147 -1.235 598 HG LEU 74 HG LEU 74 5.694 8.643 -0.060 599 HD11 LEU 74 1HD1 LEU 74 5.943 6.987 -2.567 600 HD12 LEU 74 2HD1 LEU 74 4.748 8.213 -2.174 601 HD13 LEU 74 3HD1 LEU 74 4.704 6.655 -1.359 602 HD21 LEU 74 3HD2 LEU 74 7.288 7.187 1.052 603 HD22 LEU 74 1HD2 LEU 74 7.464 6.191 -0.395 604 HD23 LEU 74 2HD2 LEU 74 5.943 6.192 0.491 605 H ARG 75 H ARG 75 9.596 9.102 0.738 606 HA ARG 75 HA ARG 75 8.254 8.446 3.169 607 HB2 ARG 75 1HB ARG 75 10.461 7.520 2.448 608 HB3 ARG 75 2HB ARG 75 11.190 9.092 2.772 609 HG2 ARG 75 1HG ARG 75 10.448 8.925 5.140 610 HG3 ARG 75 2HG ARG 75 9.790 7.326 4.802 611 HD2 ARG 75 1HD ARG 75 12.699 8.082 4.385 612 HD3 ARG 75 2HD ARG 75 12.086 7.271 5.826 613 HE ARG 75 HE ARG 75 11.237 5.764 3.583 614 HH11 ARG 75 1HH2 ARG 75 14.134 6.737 5.195 615 HH12 ARG 75 2HH2 ARG 75 15.013 5.313 4.746 616 HH21 ARG 75 1HH1 ARG 75 12.376 3.911 2.995 617 HH22 ARG 75 2HH1 ARG 75 14.020 3.717 3.502 618 H LYS 76 H LYS 76 9.763 11.420 2.045 619 HA LYS 76 HA LYS 76 9.897 12.712 4.607 620 HB2 LYS 76 1HB LYS 76 11.237 13.713 2.970 621 HB3 LYS 76 2HB LYS 76 10.011 13.547 1.722 622 HG2 LYS 76 1HG LYS 76 9.356 15.353 4.030 623 HG3 LYS 76 2HG LYS 76 10.574 15.920 2.898 624 HD2 LYS 76 1HD LYS 76 7.992 14.807 1.811 625 HD3 LYS 76 2HD LYS 76 8.020 16.435 2.452 626 HE2 LYS 76 1HE LYS 76 9.929 16.959 0.918 627 HE3 LYS 76 2HE LYS 76 9.762 15.342 0.231 628 HZ1 LYS 76 3HZ LYS 76 8.584 17.062 -1.043 629 HZ2 LYS 76 1HZ LYS 76 7.604 17.377 0.303 630 HZ3 LYS 76 2HZ LYS 76 7.541 15.858 -0.455 631 H LYS 77 H LYS 77 7.402 12.320 2.155 632 HA LYS 77 HA LYS 77 5.616 14.320 2.992 633 HB2 LYS 77 1HB LYS 77 4.977 11.609 1.862 634 HB3 LYS 77 2HB LYS 77 3.850 12.960 1.951 635 HG2 LYS 77 1HG LYS 77 6.530 13.384 0.645 636 HG3 LYS 77 2HG LYS 77 5.275 12.544 -0.255 637 HD2 LYS 77 1HD LYS 77 4.579 15.139 1.116 638 HD3 LYS 77 2HD LYS 77 5.485 15.189 -0.392 639 HE2 LYS 77 1HE LYS 77 3.742 14.225 -1.621 640 HE3 LYS 77 2HE LYS 77 3.002 13.502 -0.194 641 HZ1 LYS 77 3HZ LYS 77 2.104 15.719 -1.316 642 HZ2 LYS 77 1HZ LYS 77 3.206 16.404 -0.225 643 HZ3 LYS 77 2HZ LYS 77 1.956 15.405 0.347 644 HA PRO 78 HA PRO 78 4.885 12.730 7.196 645 HB2 PRO 78 1HB PRO 78 2.588 14.641 7.013 646 HB3 PRO 78 2HB PRO 78 3.817 14.474 8.282 647 HG2 PRO 78 1HG PRO 78 3.885 16.479 6.517 648 HG3 PRO 78 2HG PRO 78 5.367 15.723 7.129 649 HD2 PRO 78 1HD PRO 78 4.082 15.441 4.445 650 HD3 PRO 78 2HD PRO 78 5.800 15.361 4.909 651 H GLY 79 H GLY 79 3.384 11.324 8.155 652 HA2 GLY 79 1HA GLY 79 1.277 10.169 8.332 653 HA3 GLY 79 2HA GLY 79 0.866 10.712 6.709 654 H ILE 80 H ILE 80 3.830 9.888 6.090 655 HA ILE 80 HA ILE 80 3.161 7.026 5.531 656 HB ILE 80 HB ILE 80 5.171 8.857 4.200 657 HG12 ILE 80 1HG1 ILE 80 2.491 7.779 3.266 658 HG13 ILE 80 2HG1 ILE 80 2.790 9.435 3.782 659 HG21 ILE 80 1HG2 ILE 80 5.324 7.011 2.555 660 HG22 ILE 80 2HG2 ILE 80 4.257 6.038 3.557 661 HG23 ILE 80 3HG2 ILE 80 5.852 6.493 4.149 662 HD11 ILE 80 3HD1 ILE 80 4.692 9.330 1.945 663 HD12 ILE 80 1HD1 ILE 80 3.024 9.654 1.484 664 HD13 ILE 80 2HD1 ILE 80 3.697 8.037 1.293 665 H TYR 81 H TYR 81 4.161 5.591 6.802 666 HA TYR 81 HA TYR 81 6.688 6.388 8.175 667 HB2 TYR 81 1HB TYR 81 4.552 4.338 8.771 668 HB3 TYR 81 2HB TYR 81 6.115 4.317 9.588 669 HD1 TYR 81 HD2 TYR 81 6.808 6.190 11.037 670 HD2 TYR 81 HD1 TYR 81 2.927 6.082 9.203 671 HE1 TYR 81 HE2 TYR 81 6.035 7.977 12.572 672 HE2 TYR 81 HE1 TYR 81 2.152 7.871 10.737 673 HH TYR 81 HH TYR 81 2.858 9.466 12.202 674 HA PRO 82 HA PRO 82 8.967 3.519 5.670 675 HB2 PRO 82 1HB PRO 82 10.958 2.781 7.425 676 HB3 PRO 82 2HB PRO 82 10.912 4.348 6.594 677 HG2 PRO 82 1HG PRO 82 10.095 3.659 9.382 678 HG3 PRO 82 2HG PRO 82 10.959 5.086 8.778 679 HD2 PRO 82 1HD PRO 82 8.295 5.138 9.369 680 HD3 PRO 82 2HD PRO 82 9.009 6.145 8.090 681 H ALA 83 H ALA 83 9.211 1.282 5.304 682 HA ALA 83 HA ALA 83 7.391 -0.445 6.691 683 HB1 ALA 83 3HB ALA 83 9.653 -1.418 4.955 684 HB2 ALA 83 1HB ALA 83 8.260 -0.590 4.262 685 HB3 ALA 83 2HB ALA 83 8.037 -2.101 5.143 686 H TYR 84 H TYR 84 7.752 -2.044 8.188 687 HA TYR 84 HA TYR 84 10.216 -1.817 9.786 688 HB2 TYR 84 1HB TYR 84 9.025 -3.298 11.354 689 HB3 TYR 84 2HB TYR 84 7.988 -1.955 10.877 690 HD1 TYR 84 HD2 TYR 84 8.618 -5.573 10.501 691 HD2 TYR 84 HD1 TYR 84 6.046 -2.300 9.434 692 HE1 TYR 84 HE2 TYR 84 6.916 -7.178 9.676 693 HE2 TYR 84 HE1 TYR 84 4.344 -3.908 8.610 694 HH TYR 84 HH TYR 84 3.910 -6.047 8.147 695 H HIS 85 H HIS 85 9.247 -3.563 7.104 696 HA HIS 85 HA HIS 85 10.683 -6.050 7.838 697 HB2 HIS 85 1HB HIS 85 8.522 -6.112 6.561 698 HB3 HIS 85 2HB HIS 85 9.352 -5.333 5.214 699 HD1 HIS 85 HD1 HIS 85 9.516 -8.496 7.312 700 HD2 HIS 85 HD2 HIS 85 10.864 -7.070 3.635 701 HE1 HIS 85 HE1 HIS 85 10.560 -10.470 6.118 702 H MET 86 H MET 86 12.115 -6.919 5.956 703 HA MET 86 HA MET 86 14.472 -5.424 5.786 704 HB2 MET 86 1HB MET 86 13.385 -7.545 3.926 705 HB3 MET 86 2HB MET 86 15.034 -6.927 3.837 706 HG2 MET 86 1HG MET 86 15.350 -7.576 6.236 707 HG3 MET 86 2HG MET 86 13.750 -8.313 6.208 708 HE1 MET 86 3HE MET 86 13.490 -9.813 3.369 709 HE2 MET 86 1HE MET 86 13.010 -10.193 5.029 710 HE3 MET 86 2HE MET 86 13.943 -11.354 4.090 711 H ASN 87 H ASN 87 15.394 -5.111 3.316 712 HA ASN 87 HA ASN 87 15.498 -3.577 1.558 713 HB2 ASN 87 1HB ASN 87 12.541 -4.237 1.518 714 HB3 ASN 87 2HB ASN 87 13.320 -3.211 0.317 715 HD21 ASN 87 2HD2 ASN 87 12.112 -5.756 -0.337 716 HD22 ASN 87 1HD2 ASN 87 13.351 -6.794 -0.855 717 H LYS 88 H LYS 88 12.271 -2.678 2.716 718 HA LYS 88 HA LYS 88 11.484 -0.704 3.694 719 HB2 LYS 88 1HB LYS 88 13.607 -1.105 5.169 720 HB3 LYS 88 2HB LYS 88 14.322 0.192 4.212 721 HG2 LYS 88 1HG LYS 88 12.344 1.625 4.774 722 HG3 LYS 88 2HG LYS 88 11.794 0.357 5.869 723 HD2 LYS 88 1HD LYS 88 14.542 1.619 6.054 724 HD3 LYS 88 2HD LYS 88 13.155 2.216 6.957 725 HE2 LYS 88 1HE LYS 88 12.893 -0.189 7.834 726 HE3 LYS 88 2HE LYS 88 14.511 -0.473 7.192 727 HZ1 LYS 88 3HZ LYS 88 13.698 1.000 9.516 728 HZ2 LYS 88 1HZ LYS 88 14.788 1.852 8.533 729 HZ3 LYS 88 2HZ LYS 88 15.206 0.317 9.130 730 H GLU 89 H GLU 89 14.442 -0.237 1.772 731 HA GLU 89 HA GLU 89 13.744 2.403 0.879 732 HB2 GLU 89 1HB GLU 89 15.575 0.312 -0.329 733 HB3 GLU 89 2HB GLU 89 15.512 2.001 -0.829 734 HG2 GLU 89 1HG GLU 89 16.160 1.058 1.980 735 HG3 GLU 89 2HG GLU 89 17.361 1.546 0.784 736 H HIS 90 H HIS 90 13.392 -0.827 -0.564 737 HA HIS 90 HA HIS 90 12.185 0.112 -3.004 738 HB2 HIS 90 1HB HIS 90 12.192 -2.574 -1.622 739 HB3 HIS 90 2HB HIS 90 11.434 -2.305 -3.189 740 HD1 HIS 90 HD1 HIS 90 14.828 -2.024 -1.504 741 HD2 HIS 90 HD2 HIS 90 13.206 -2.303 -5.333 742 HE1 HIS 90 HE1 HIS 90 16.783 -2.287 -3.093 743 H TRP 91 H TRP 91 10.807 -1.228 0.012 744 HA TRP 91 HA TRP 91 8.098 -0.331 -0.923 745 HB2 TRP 91 1HB TRP 91 8.684 -2.327 1.265 746 HB3 TRP 91 2HB TRP 91 7.151 -2.036 0.443 747 HD1 TRP 91 HD1 TRP 91 8.036 -2.028 -2.530 748 HE1 TRP 91 HE1 TRP 91 8.872 -4.184 -3.664 749 HE3 TRP 91 HE3 TRP 91 9.420 -4.711 1.589 750 HZ2 TRP 91 HZ2 TRP 91 9.982 -6.714 -2.923 751 HZ3 TRP 91 HZ3 TRP 91 10.361 -6.990 1.345 752 HH2 TRP 91 HH2 TRP 91 10.644 -7.994 -0.903 753 H ILE 92 H ILE 92 6.865 0.970 0.360 754 HA ILE 92 HA ILE 92 7.974 1.821 3.003 755 HB ILE 92 HB ILE 92 6.805 3.642 0.875 756 HG12 ILE 92 1HG1 ILE 92 9.238 2.753 0.601 757 HG13 ILE 92 2HG1 ILE 92 8.966 4.484 0.488 758 HG21 ILE 92 1HG2 ILE 92 7.724 4.091 3.714 759 HG22 ILE 92 2HG2 ILE 92 6.179 4.518 2.979 760 HG23 ILE 92 3HG2 ILE 92 7.639 5.409 2.545 761 HD11 ILE 92 3HD1 ILE 92 9.720 3.205 3.119 762 HD12 ILE 92 1HD1 ILE 92 9.856 4.891 2.638 763 HD13 ILE 92 2HD1 ILE 92 10.938 3.682 1.951 764 H THR 93 H THR 93 6.431 2.092 4.589 765 HA THR 93 HA THR 93 3.753 1.055 3.972 766 HB THR 93 HB THR 93 4.781 2.130 6.608 767 HG1 THR 93 HG1 THR 93 5.147 -0.186 6.947 768 HG21 THR 93 3HG2 THR 93 2.683 0.036 6.010 769 HG22 THR 93 1HG2 THR 93 2.306 1.736 6.288 770 HG23 THR 93 2HG2 THR 93 3.043 0.777 7.570 771 H VAL 94 H VAL 94 1.992 2.296 3.609 772 HA VAL 94 HA VAL 94 2.175 5.237 4.183 773 HB VAL 94 HB VAL 94 0.721 3.719 2.004 774 HG11 VAL 94 1HG1 VAL 94 -0.802 5.427 2.646 775 HG12 VAL 94 2HG1 VAL 94 0.090 6.116 1.290 776 HG13 VAL 94 3HG1 VAL 94 0.496 6.585 2.941 777 HG21 VAL 94 3HG2 VAL 94 3.214 4.283 1.815 778 HG22 VAL 94 1HG2 VAL 94 2.723 5.974 1.791 779 HG23 VAL 94 2HG2 VAL 94 2.184 4.886 0.516 780 H LEU 95 H LEU 95 0.684 6.071 5.535 781 HA LEU 95 HA LEU 95 -1.293 4.232 6.705 782 HB2 LEU 95 1HB LEU 95 0.110 5.784 8.088 783 HB3 LEU 95 2HB LEU 95 -0.738 7.138 7.346 784 HG LEU 95 HG LEU 95 -2.891 6.212 8.188 785 HD11 LEU 95 1HD1 LEU 95 -2.434 4.492 10.178 786 HD12 LEU 95 2HD1 LEU 95 -1.054 4.058 9.174 787 HD13 LEU 95 3HD1 LEU 95 -2.690 3.932 8.530 788 HD21 LEU 95 3HD2 LEU 95 -1.476 7.896 9.456 789 HD22 LEU 95 1HD2 LEU 95 -0.865 6.548 10.416 790 HD23 LEU 95 2HD2 LEU 95 -2.580 6.954 10.459 791 H LEU 96 H LEU 96 -3.043 3.968 5.402 792 HA LEU 96 HA LEU 96 -4.166 6.000 3.705 793 HB2 LEU 96 1HB LEU 96 -5.302 3.432 4.833 794 HB3 LEU 96 2HB LEU 96 -6.147 4.424 3.647 795 HG LEU 96 HG LEU 96 -3.362 3.288 3.240 796 HD11 LEU 96 1HD1 LEU 96 -4.800 1.397 3.320 797 HD12 LEU 96 2HD1 LEU 96 -4.614 1.759 1.604 798 HD13 LEU 96 3HD1 LEU 96 -6.085 2.237 2.450 799 HD21 LEU 96 3HD2 LEU 96 -3.499 5.049 1.721 800 HD22 LEU 96 1HD2 LEU 96 -5.253 4.929 1.566 801 HD23 LEU 96 2HD2 LEU 96 -4.211 3.761 0.758 802 H ASN 97 H ASN 97 -4.891 4.880 6.977 803 HA ASN 97 HA ASN 97 -7.186 6.644 7.291 804 HB2 ASN 97 1HB ASN 97 -5.531 5.023 9.243 805 HB3 ASN 97 2HB ASN 97 -6.938 5.974 9.724 806 HD21 ASN 97 2HD2 ASN 97 -6.898 3.109 10.001 807 HD22 ASN 97 1HD2 ASN 97 -8.036 2.456 8.924 808 H GLY 98 H GLY 98 -4.107 7.398 6.834 809 HA2 GLY 98 1HA GLY 98 -3.672 9.260 9.064 810 HA3 GLY 98 2HA GLY 98 -2.600 8.998 7.694 811 HA PRO 99 HA PRO 99 -4.797 13.013 6.944 812 HB2 PRO 99 1HB PRO 99 -2.614 14.580 6.597 813 HB3 PRO 99 2HB PRO 99 -3.200 14.141 8.214 814 HG2 PRO 99 1HG PRO 99 -0.915 13.015 6.658 815 HG3 PRO 99 2HG PRO 99 -1.035 13.357 8.394 816 HD2 PRO 99 1HD PRO 99 -1.367 10.837 7.255 817 HD3 PRO 99 2HD PRO 99 -1.997 11.303 8.850 818 H LEU 100 H LEU 100 -2.874 10.907 5.154 819 HA LEU 100 HA LEU 100 -2.331 12.377 2.791 820 HB2 LEU 100 1HB LEU 100 -2.717 9.470 3.424 821 HB3 LEU 100 2HB LEU 100 -2.630 9.953 1.734 822 HG LEU 100 HG LEU 100 -0.414 9.307 2.709 823 HD11 LEU 100 1HD1 LEU 100 0.729 10.863 1.455 824 HD12 LEU 100 2HD1 LEU 100 -0.134 12.232 2.146 825 HD13 LEU 100 3HD1 LEU 100 -0.896 11.250 0.897 826 HD21 LEU 100 3HD2 LEU 100 0.612 10.582 4.416 827 HD22 LEU 100 1HD2 LEU 100 -1.041 10.336 4.984 828 HD23 LEU 100 2HD2 LEU 100 -0.573 11.883 4.276 829 H GLY 101 H GLY 101 -3.559 13.075 1.162 830 HA2 GLY 101 1HA GLY 101 -6.466 12.819 1.377 831 HA3 GLY 101 2HA GLY 101 -5.591 13.817 0.219 832 H ALA 102 H ALA 102 -7.790 12.241 -0.497 833 HA ALA 102 HA ALA 102 -7.119 9.690 -1.609 834 HB1 ALA 102 3HB ALA 102 -9.147 10.100 -3.036 835 HB2 ALA 102 1HB ALA 102 -9.207 11.740 -2.393 836 HB3 ALA 102 2HB ALA 102 -9.439 10.362 -1.316 837 H LYS 103 H LYS 103 -7.044 12.979 -2.944 838 HA LYS 103 HA LYS 103 -6.218 12.151 -5.592 839 HB2 LYS 103 1HB LYS 103 -5.759 14.545 -5.947 840 HB3 LYS 103 2HB LYS 103 -7.324 14.326 -5.164 841 HG2 LYS 103 1HG LYS 103 -6.221 14.733 -2.951 842 HG3 LYS 103 2HG LYS 103 -4.717 15.082 -3.803 843 HD2 LYS 103 1HD LYS 103 -5.800 16.928 -5.005 844 HD3 LYS 103 2HD LYS 103 -7.326 16.575 -4.194 845 HE2 LYS 103 1HE LYS 103 -6.161 18.430 -3.069 846 HE3 LYS 103 2HE LYS 103 -6.259 17.026 -2.006 847 HZ1 LYS 103 3HZ LYS 103 -3.916 17.805 -3.657 848 HZ2 LYS 103 1HZ LYS 103 -4.008 16.423 -2.678 849 HZ3 LYS 103 2HZ LYS 103 -4.049 17.968 -1.971 850 H GLU 104 H GLU 104 -4.535 13.128 -2.646 851 HA GLU 104 HA GLU 104 -1.928 13.390 -3.793 852 HB2 GLU 104 1HB GLU 104 -2.571 14.222 -1.525 853 HB3 GLU 104 2HB GLU 104 -2.665 12.548 -0.973 854 HG2 GLU 104 1HG GLU 104 -0.310 12.203 -1.522 855 HG3 GLU 104 2HG GLU 104 -0.195 13.845 -2.151 856 H ILE 105 H ILE 105 -3.629 10.645 -2.315 857 HA ILE 105 HA ILE 105 -1.452 8.789 -2.499 858 HB ILE 105 HB ILE 105 -4.451 8.372 -2.426 859 HG12 ILE 105 1HG1 ILE 105 -2.352 7.921 -0.288 860 HG13 ILE 105 2HG1 ILE 105 -3.265 9.421 -0.444 861 HG21 ILE 105 1HG2 ILE 105 -2.160 6.402 -2.385 862 HG22 ILE 105 2HG2 ILE 105 -3.600 6.384 -3.405 863 HG23 ILE 105 3HG2 ILE 105 -3.732 6.016 -1.685 864 HD11 ILE 105 3HD1 ILE 105 -5.321 8.355 0.046 865 HD12 ILE 105 1HD1 ILE 105 -4.184 7.644 1.190 866 HD13 ILE 105 2HD1 ILE 105 -4.658 6.747 -0.252 867 H HIS 106 H HIS 106 -4.140 9.539 -4.708 868 HA HIS 106 HA HIS 106 -3.679 7.540 -6.637 869 HB2 HIS 106 1HB HIS 106 -5.574 9.308 -6.474 870 HB3 HIS 106 2HB HIS 106 -4.481 10.364 -7.366 871 HD1 HIS 106 HD1 HIS 106 -5.260 10.328 -9.753 872 HD2 HIS 106 HD2 HIS 106 -5.301 6.537 -8.023 873 HE1 HIS 106 HE1 HIS 106 -5.912 8.712 -11.594 874 H SER 107 H SER 107 -2.252 10.809 -6.417 875 HA SER 107 HA SER 107 -0.705 10.659 -8.808 876 HB2 SER 107 1HB SER 107 -0.120 12.146 -6.232 877 HB3 SER 107 2HB SER 107 0.667 12.450 -7.778 878 HG SER 107 HG SER 107 -1.012 13.574 -8.339 879 H LEU 108 H LEU 108 0.091 9.768 -5.455 880 HA LEU 108 HA LEU 108 2.802 9.000 -5.963 881 HB2 LEU 108 1HB LEU 108 0.846 8.052 -3.848 882 HB3 LEU 108 2HB LEU 108 2.573 7.705 -3.832 883 HG LEU 108 HG LEU 108 1.348 10.481 -3.819 884 HD11 LEU 108 1HD1 LEU 108 0.921 9.463 -1.695 885 HD12 LEU 108 2HD1 LEU 108 2.321 10.511 -1.470 886 HD13 LEU 108 3HD1 LEU 108 2.540 8.769 -1.626 887 HD21 LEU 108 3HD2 LEU 108 3.905 10.865 -3.022 888 HD22 LEU 108 1HD2 LEU 108 3.433 10.907 -4.720 889 HD23 LEU 108 2HD2 LEU 108 4.154 9.451 -4.044 890 H ILE 109 H ILE 109 -0.238 7.170 -6.046 891 HA ILE 109 HA ILE 109 0.932 4.602 -6.528 892 HB ILE 109 HB ILE 109 -1.770 5.746 -7.292 893 HG12 ILE 109 1HG1 ILE 109 -1.016 3.752 -5.136 894 HG13 ILE 109 2HG1 ILE 109 -1.160 5.486 -4.845 895 HG21 ILE 109 1HG2 ILE 109 -2.374 3.262 -7.488 896 HG22 ILE 109 2HG2 ILE 109 -0.640 2.953 -7.560 897 HG23 ILE 109 3HG2 ILE 109 -1.413 3.936 -8.803 898 HD11 ILE 109 3HD1 ILE 109 -3.372 3.743 -5.970 899 HD12 ILE 109 1HD1 ILE 109 -3.499 5.450 -5.544 900 HD13 ILE 109 2HD1 ILE 109 -3.251 4.241 -4.283 901 H GLU 110 H GLU 110 -0.155 7.180 -8.706 902 HA GLU 110 HA GLU 110 0.191 5.911 -11.188 903 HB2 GLU 110 1HB GLU 110 -0.702 8.221 -10.859 904 HB3 GLU 110 2HB GLU 110 0.933 8.769 -10.489 905 HG2 GLU 110 1HG GLU 110 1.698 8.095 -12.711 906 HG3 GLU 110 2HG GLU 110 0.097 7.463 -13.092 907 H ASP 111 H ASP 111 2.618 7.518 -9.132 908 HA ASP 111 HA ASP 111 4.844 7.186 -10.901 909 HB2 ASP 111 1HB ASP 111 4.662 7.363 -7.883 910 HB3 ASP 111 2HB ASP 111 6.197 7.313 -8.748 911 H SER 112 H SER 112 3.482 5.101 -8.372 912 HA SER 112 HA SER 112 5.477 3.046 -8.501 913 HB2 SER 112 1HB SER 112 3.597 3.419 -6.752 914 HB3 SER 112 2HB SER 112 2.572 2.525 -7.866 915 HG SER 112 HG SER 112 4.493 1.640 -6.173 916 H PHE 113 H PHE 113 2.503 3.618 -10.306 917 HA PHE 113 HA PHE 113 2.289 1.137 -11.658 918 HB2 PHE 113 1HB PHE 113 0.571 2.948 -11.702 919 HB3 PHE 113 2HB PHE 113 1.634 3.892 -12.745 920 HD1 PHE 113 HD2 PHE 113 -0.216 0.665 -12.502 921 HD2 PHE 113 HD1 PHE 113 1.734 3.489 -15.086 922 HE1 PHE 113 HE2 PHE 113 -1.083 -0.549 -14.482 923 HE2 PHE 113 HE1 PHE 113 0.865 2.275 -17.067 924 HZ PHE 113 HZ PHE 113 -0.543 0.255 -16.765 925 H GLN 114 H GLN 114 4.135 4.068 -12.515 926 HA GLN 114 HA GLN 114 5.074 3.266 -15.050 927 HB2 GLN 114 1HB GLN 114 6.427 4.885 -12.879 928 HB3 GLN 114 2HB GLN 114 7.084 4.711 -14.507 929 HG2 GLN 114 1HG GLN 114 5.043 5.679 -15.461 930 HG3 GLN 114 2HG GLN 114 4.326 5.793 -13.855 931 HE21 GLN 114 2HE2 GLN 114 5.882 7.652 -16.139 932 HE22 GLN 114 1HE2 GLN 114 6.566 8.827 -15.123 933 H LEU 115 H LEU 115 6.482 2.562 -11.845 934 HA LEU 115 HA LEU 115 8.713 1.053 -12.859 935 HB2 LEU 115 1HB LEU 115 7.336 1.244 -10.183 936 HB3 LEU 115 2HB LEU 115 8.610 0.052 -10.444 937 HG LEU 115 HG LEU 115 10.122 1.895 -11.199 938 HD11 LEU 115 1HD1 LEU 115 7.700 3.544 -10.451 939 HD12 LEU 115 2HD1 LEU 115 8.607 3.564 -11.964 940 HD13 LEU 115 3HD1 LEU 115 9.323 4.234 -10.497 941 HD21 LEU 115 3HD2 LEU 115 9.936 1.058 -8.791 942 HD22 LEU 115 1HD2 LEU 115 8.950 2.486 -8.472 943 HD23 LEU 115 2HD2 LEU 115 10.622 2.667 -8.993 944 H THR 116 H THR 116 5.443 0.135 -11.843 945 HA THR 116 HA THR 116 5.998 -2.715 -12.451 946 HB THR 116 HB THR 116 3.841 -3.153 -11.461 947 HG1 THR 116 HG1 THR 116 2.367 -1.725 -11.829 948 HG21 THR 116 3HG2 THR 116 5.010 -0.868 -9.858 949 HG22 THR 116 1HG2 THR 116 5.793 -2.445 -9.969 950 HG23 THR 116 2HG2 THR 116 4.186 -2.306 -9.254 951 H ARG 117 H ARG 117 5.425 -0.142 -14.296 952 HA ARG 117 HA ARG 117 3.154 -0.774 -15.884 953 HB2 ARG 117 1HB ARG 117 4.238 1.377 -16.090 954 HB3 ARG 117 2HB ARG 117 5.747 0.623 -16.594 955 HG2 ARG 117 1HG ARG 117 4.725 -0.149 -18.667 956 HG3 ARG 117 2HG ARG 117 3.144 0.431 -18.142 957 HD2 ARG 117 1HD ARG 117 5.565 2.221 -18.518 958 HD3 ARG 117 2HD ARG 117 4.315 1.984 -19.739 959 HE ARG 117 HE ARG 117 3.009 2.736 -17.344 960 HH11 ARG 117 1HH2 ARG 117 5.268 3.996 -19.635 961 HH12 ARG 117 2HH2 ARG 117 4.770 5.640 -19.411 962 HH21 ARG 117 1HH1 ARG 117 2.356 4.869 -17.050 963 HH22 ARG 117 2HH1 ARG 117 3.124 6.133 -17.951 964 H LEU 118 H LEU 118 2.915 -2.048 -17.731 965 HA LEU 118 HA LEU 118 4.654 -4.351 -17.913 966 HB2 LEU 118 1HB LEU 118 2.134 -3.416 -19.193 967 HB3 LEU 118 2HB LEU 118 3.078 -4.570 -20.133 968 HG LEU 118 HG LEU 118 2.531 -5.111 -17.213 969 HD11 LEU 118 1HD1 LEU 118 0.331 -4.619 -18.238 970 HD12 LEU 118 2HD1 LEU 118 0.488 -6.331 -17.845 971 HD13 LEU 118 3HD1 LEU 118 0.668 -5.790 -19.514 972 HD21 LEU 118 3HD2 LEU 118 3.028 -7.342 -17.799 973 HD22 LEU 118 1HD2 LEU 118 4.144 -6.425 -18.813 974 HD23 LEU 118 2HD2 LEU 118 2.660 -7.079 -19.502 975 H GLU 119 H GLU 119 6.084 -4.921 -19.527 976 HA GLU 119 HA GLU 119 6.484 -3.423 -21.926 977 HB2 GLU 119 1HB GLU 119 7.359 -1.746 -20.359 978 HB3 GLU 119 2HB GLU 119 8.457 -2.945 -19.671 979 HG2 GLU 119 1HG GLU 119 9.603 -3.186 -21.779 980 HG3 GLU 119 2HG GLU 119 8.420 -2.153 -22.576 981 H HIS 120 H HIS 120 6.645 -5.455 -22.911 982 HA HIS 120 HA HIS 120 9.154 -6.975 -22.341 983 HB2 HIS 120 1HB HIS 120 6.370 -8.144 -22.617 984 HB3 HIS 120 2HB HIS 120 7.851 -9.099 -22.703 985 HD1 HIS 120 HD1 HIS 120 5.827 -6.998 -20.312 986 HD2 HIS 120 HD2 HIS 120 9.124 -9.546 -20.230 987 HE1 HIS 120 HE1 HIS 120 6.358 -7.403 -17.870 988 H HIS 121 H HIS 121 10.089 -7.891 -24.174 989 HA HIS 121 HA HIS 121 8.758 -7.283 -26.798 990 HB2 HIS 121 1HB HIS 121 11.690 -7.141 -26.044 991 HB3 HIS 121 2HB HIS 121 11.080 -6.999 -27.694 992 HD1 HIS 121 HD1 HIS 121 9.278 -4.991 -28.061 993 HD2 HIS 121 HD2 HIS 121 11.629 -4.750 -24.626 994 HE1 HIS 121 HE1 HIS 121 9.117 -2.598 -27.250 995 H HIS 122 H HIS 122 9.267 -8.756 -28.526 996 HA HIS 122 HA HIS 122 9.160 -11.513 -27.812 997 HB2 HIS 122 1HB HIS 122 9.868 -10.118 -30.403 998 HB3 HIS 122 2HB HIS 122 9.667 -11.865 -30.270 999 HD1 HIS 122 HD1 HIS 122 7.245 -12.674 -29.392 1000 HD2 HIS 122 HD2 HIS 122 7.477 -8.716 -30.679 1001 HE1 HIS 122 HE1 HIS 122 4.862 -11.900 -29.760 1002 H HIS 123 H HIS 123 11.858 -9.516 -29.010 1003 HA HIS 123 HA HIS 123 13.783 -11.653 -29.022 1004 HB2 HIS 123 1HB HIS 123 14.083 -9.509 -30.252 1005 HB3 HIS 123 2HB HIS 123 14.257 -8.674 -28.707 1006 HD1 HIS 123 HD1 HIS 123 16.533 -8.718 -27.621 1007 HD2 HIS 123 HD2 HIS 123 16.218 -11.483 -30.724 1008 HE1 HIS 123 HE1 HIS 123 18.850 -9.687 -27.957 1009 H HIS 124 H HIS 124 12.988 -9.131 -26.630 1010 HA HIS 124 HA HIS 124 14.693 -10.572 -24.628 1011 HB2 HIS 124 1HB HIS 124 13.687 -7.713 -24.691 1012 HB3 HIS 124 2HB HIS 124 14.613 -8.425 -23.367 1013 HD1 HIS 124 HD1 HIS 124 15.399 -6.151 -25.715 1014 HD2 HIS 124 HD2 HIS 124 16.910 -9.995 -25.148 1015 HE1 HIS 124 HE1 HIS 124 17.666 -6.205 -26.846 1016 H HIS 125 H HIS 125 13.564 -11.834 -23.284 1017 HA HIS 125 HA HIS 125 11.195 -10.821 -21.922 1018 HB2 HIS 125 1HB HIS 125 9.697 -12.653 -22.614 1019 HB3 HIS 125 2HB HIS 125 10.174 -11.684 -24.004 1020 HD1 HIS 125 HD1 HIS 125 12.264 -12.733 -25.433 1021 HD2 HIS 125 HD2 HIS 125 10.253 -15.349 -22.883 1022 HE1 HIS 125 HE1 HIS 125 12.857 -15.075 -26.195 Start of MODEL 13 1 H1 MET 1 1H MET 1 -9.706 8.464 2.001 2 H2 MET 1 2H MET 1 -8.837 8.987 0.637 3 H3 MET 1 3H MET 1 -8.049 8.126 1.871 4 HA MET 1 HA MET 1 -10.073 7.104 -0.037 5 HB2 MET 1 1HB MET 1 -7.682 7.263 -0.778 6 HB3 MET 1 2HB MET 1 -7.238 6.209 0.563 7 HG2 MET 1 1HG MET 1 -7.484 4.807 -1.378 8 HG3 MET 1 2HG MET 1 -8.889 4.514 -0.359 9 HE1 MET 1 3HE MET 1 -8.702 6.100 -4.566 10 HE2 MET 1 1HE MET 1 -7.883 4.735 -3.796 11 HE3 MET 1 2HE MET 1 -7.427 6.385 -3.385 12 H ASN 2 H ASN 2 -11.064 5.165 0.489 13 HA ASN 2 HA ASN 2 -10.766 4.270 3.318 14 HB2 ASN 2 1HB ASN 2 -12.946 3.927 1.252 15 HB3 ASN 2 2HB ASN 2 -12.935 3.038 2.775 16 HD21 ASN 2 2HD2 ASN 2 -14.991 4.957 2.152 17 HD22 ASN 2 1HD2 ASN 2 -14.835 6.262 3.226 18 H ARG 3 H ARG 3 -10.901 1.914 3.711 19 HA ARG 3 HA ARG 3 -8.937 0.445 2.258 20 HB2 ARG 3 1HB ARG 3 -9.621 -0.011 4.615 21 HB3 ARG 3 2HB ARG 3 -11.164 -0.623 4.018 22 HG2 ARG 3 1HG ARG 3 -10.006 -2.366 2.737 23 HG3 ARG 3 2HG ARG 3 -8.449 -1.744 3.276 24 HD2 ARG 3 1HD ARG 3 -9.185 -2.167 5.652 25 HD3 ARG 3 2HD ARG 3 -10.618 -2.965 5.007 26 HE ARG 3 HE ARG 3 -8.357 -4.150 3.777 27 HH11 ARG 3 1HH2 ARG 3 -9.820 -3.787 6.883 28 HH12 ARG 3 2HH2 ARG 3 -9.208 -5.289 7.489 29 HH21 ARG 3 1HH1 ARG 3 -7.554 -6.106 4.556 30 HH22 ARG 3 2HH1 ARG 3 -7.926 -6.602 6.174 31 H GLN 4 H GLN 4 -12.500 0.337 2.157 32 HA GLN 4 HA GLN 4 -12.668 -1.792 0.242 33 HB2 GLN 4 1HB GLN 4 -14.564 -0.985 1.676 34 HB3 GLN 4 2HB GLN 4 -14.628 0.478 0.693 35 HG2 GLN 4 1HG GLN 4 -16.296 -1.103 -0.118 36 HG3 GLN 4 2HG GLN 4 -15.022 -0.943 -1.326 37 HE21 GLN 4 2HE2 GLN 4 -14.616 -2.975 -2.200 38 HE22 GLN 4 1HE2 GLN 4 -14.504 -4.415 -1.307 39 H GLN 5 H GLN 5 -12.626 1.747 -0.103 40 HA GLN 5 HA GLN 5 -12.990 1.801 -2.942 41 HB2 GLN 5 1HB GLN 5 -11.615 3.737 -1.059 42 HB3 GLN 5 2HB GLN 5 -11.954 4.088 -2.753 43 HG2 GLN 5 1HG GLN 5 -14.067 3.325 -0.716 44 HG3 GLN 5 2HG GLN 5 -13.694 4.984 -1.185 45 HE21 GLN 5 2HE2 GLN 5 -15.991 2.773 -1.756 46 HE22 GLN 5 1HE2 GLN 5 -16.331 3.073 -3.393 47 H PHE 6 H PHE 6 -10.073 1.689 -0.913 48 HA PHE 6 HA PHE 6 -8.169 1.910 -3.027 49 HB2 PHE 6 1HB PHE 6 -7.549 2.146 -0.661 50 HB3 PHE 6 2HB PHE 6 -7.942 0.447 -0.384 51 HD1 PHE 6 HD2 PHE 6 -5.666 2.750 -2.204 52 HD2 PHE 6 HD1 PHE 6 -6.442 -1.305 -1.017 53 HE1 PHE 6 HE2 PHE 6 -3.394 2.096 -2.955 54 HE2 PHE 6 HE1 PHE 6 -4.169 -1.960 -1.768 55 HZ PHE 6 HZ PHE 6 -2.646 -0.258 -2.737 56 H ILE 7 H ILE 7 -9.625 -0.968 -1.492 57 HA ILE 7 HA ILE 7 -8.211 -2.891 -3.075 58 HB ILE 7 HB ILE 7 -10.910 -3.046 -1.699 59 HG12 ILE 7 1HG1 ILE 7 -8.230 -4.220 -0.901 60 HG13 ILE 7 2HG1 ILE 7 -8.826 -2.671 -0.305 61 HG21 ILE 7 1HG2 ILE 7 -10.972 -4.775 -3.319 62 HG22 ILE 7 2HG2 ILE 7 -10.382 -5.578 -1.867 63 HG23 ILE 7 3HG2 ILE 7 -9.253 -5.121 -3.142 64 HD11 ILE 7 3HD1 ILE 7 -10.634 -3.672 0.843 65 HD12 ILE 7 1HD1 ILE 7 -9.280 -4.758 1.151 66 HD13 ILE 7 2HD1 ILE 7 -10.488 -5.179 -0.060 67 H ASP 8 H ASP 8 -11.375 -1.322 -3.503 68 HA ASP 8 HA ASP 8 -12.129 -2.706 -5.883 69 HB2 ASP 8 1HB ASP 8 -12.846 0.024 -4.798 70 HB3 ASP 8 2HB ASP 8 -13.574 -0.643 -6.259 71 H TYR 9 H TYR 9 -10.319 0.304 -5.377 72 HA TYR 9 HA TYR 9 -10.064 0.955 -8.170 73 HB2 TYR 9 1HB TYR 9 -9.718 2.573 -6.293 74 HB3 TYR 9 2HB TYR 9 -8.227 1.723 -5.888 75 HD1 TYR 9 HD1 TYR 9 -9.961 3.564 -8.624 76 HD2 TYR 9 HD2 TYR 9 -6.212 2.151 -7.077 77 HE1 TYR 9 HE1 TYR 9 -8.758 4.872 -10.351 78 HE2 TYR 9 HE2 TYR 9 -5.006 3.460 -8.806 79 HH TYR 9 HH TYR 9 -6.783 5.505 -11.130 80 H ALA 10 H ALA 10 -8.114 -0.945 -5.914 81 HA ALA 10 HA ALA 10 -5.785 -1.278 -7.510 82 HB1 ALA 10 3HB ALA 10 -7.107 -3.058 -5.457 83 HB2 ALA 10 1HB ALA 10 -5.723 -1.986 -5.225 84 HB3 ALA 10 2HB ALA 10 -5.556 -3.451 -6.196 85 H GLN 11 H GLN 11 -8.662 -3.390 -7.258 86 HA GLN 11 HA GLN 11 -7.798 -5.255 -9.247 87 HB2 GLN 11 1HB GLN 11 -10.242 -5.874 -9.345 88 HB3 GLN 11 2HB GLN 11 -9.560 -5.878 -7.718 89 HG2 GLN 11 1HG GLN 11 -10.473 -3.646 -7.303 90 HG3 GLN 11 2HG GLN 11 -11.111 -3.578 -8.943 91 HE21 GLN 11 2HE2 GLN 11 -11.416 -6.755 -7.973 92 HE22 GLN 11 1HE2 GLN 11 -13.006 -6.703 -7.380 93 H LYS 12 H LYS 12 -9.685 -2.261 -9.460 94 HA LYS 12 HA LYS 12 -10.495 -2.528 -12.174 95 HB2 LYS 12 1HB LYS 12 -9.967 -0.140 -10.404 96 HB3 LYS 12 2HB LYS 12 -10.523 0.043 -12.066 97 HG2 LYS 12 1HG LYS 12 -12.511 -1.302 -11.579 98 HG3 LYS 12 2HG LYS 12 -11.947 -1.580 -9.935 99 HD2 LYS 12 1HD LYS 12 -12.091 0.807 -9.438 100 HD3 LYS 12 2HD LYS 12 -12.534 1.155 -11.109 101 HE2 LYS 12 1HE LYS 12 -14.544 1.115 -9.705 102 HE3 LYS 12 2HE LYS 12 -14.574 -0.238 -10.837 103 HZ1 LYS 12 3HZ LYS 12 -14.481 -1.700 -9.181 104 HZ2 LYS 12 1HZ LYS 12 -14.855 -0.414 -8.140 105 HZ3 LYS 12 2HZ LYS 12 -13.235 -0.865 -8.382 106 H LYS 13 H LYS 13 -7.549 -1.154 -10.742 107 HA LYS 13 HA LYS 13 -6.470 -0.499 -13.400 108 HB2 LYS 13 1HB LYS 13 -6.104 0.944 -11.413 109 HB3 LYS 13 2HB LYS 13 -5.151 -0.345 -10.686 110 HG2 LYS 13 1HG LYS 13 -3.587 -0.292 -12.586 111 HG3 LYS 13 2HG LYS 13 -4.539 0.977 -13.347 112 HD2 LYS 13 1HD LYS 13 -3.404 1.311 -10.567 113 HD3 LYS 13 2HD LYS 13 -2.449 1.689 -11.998 114 HE2 LYS 13 1HE LYS 13 -4.330 3.211 -12.745 115 HE3 LYS 13 2HE LYS 13 -5.075 2.954 -11.169 116 HZ1 LYS 13 3HZ LYS 13 -2.335 3.608 -10.892 117 HZ2 LYS 13 1HZ LYS 13 -3.695 4.388 -10.245 118 HZ3 LYS 13 2HZ LYS 13 -3.141 4.799 -11.798 119 H TYR 14 H TYR 14 -5.951 -2.978 -10.908 120 HA TYR 14 HA TYR 14 -3.787 -4.171 -12.597 121 HB2 TYR 14 1HB TYR 14 -4.541 -4.579 -9.695 122 HB3 TYR 14 2HB TYR 14 -3.305 -5.520 -10.534 123 HD1 TYR 14 HD1 TYR 14 -1.350 -4.296 -11.603 124 HD2 TYR 14 HD2 TYR 14 -4.059 -2.399 -8.860 125 HE1 TYR 14 HE1 TYR 14 0.305 -2.490 -11.220 126 HE2 TYR 14 HE2 TYR 14 -2.402 -0.592 -8.478 127 HH TYR 14 HH TYR 14 0.279 -0.105 -10.470 128 H ASP 15 H ASP 15 -7.021 -4.446 -12.455 129 HA ASP 15 HA ASP 15 -8.562 -6.239 -12.696 130 HB2 ASP 15 1HB ASP 15 -7.735 -7.852 -14.522 131 HB3 ASP 15 2HB ASP 15 -7.839 -6.148 -14.953 132 H THR 16 H THR 16 -6.643 -6.538 -10.469 133 HA THR 16 HA THR 16 -6.553 -9.535 -10.317 134 HB THR 16 HB THR 16 -4.696 -7.501 -9.057 135 HG1 THR 16 HG1 THR 16 -3.356 -8.074 -10.596 136 HG21 THR 16 3HG2 THR 16 -5.014 -10.486 -8.728 137 HG22 THR 16 1HG2 THR 16 -4.896 -9.248 -7.476 138 HG23 THR 16 2HG2 THR 16 -3.473 -9.685 -8.420 139 H LYS 17 H LYS 17 -7.675 -10.426 -8.697 140 HA LYS 17 HA LYS 17 -9.122 -8.653 -6.865 141 HB2 LYS 17 1HB LYS 17 -10.011 -11.030 -6.099 142 HB3 LYS 17 2HB LYS 17 -10.554 -10.324 -7.615 143 HG2 LYS 17 1HG LYS 17 -9.000 -11.633 -8.884 144 HG3 LYS 17 2HG LYS 17 -8.161 -12.167 -7.429 145 HD2 LYS 17 1HD LYS 17 -11.105 -12.756 -7.696 146 HD3 LYS 17 2HD LYS 17 -9.960 -13.737 -8.606 147 HE2 LYS 17 1HE LYS 17 -9.888 -13.300 -5.603 148 HE3 LYS 17 2HE LYS 17 -10.458 -14.757 -6.413 149 HZ1 LYS 17 3HZ LYS 17 -8.145 -14.668 -7.532 150 HZ2 LYS 17 1HZ LYS 17 -8.288 -15.284 -5.958 151 HZ3 LYS 17 2HZ LYS 17 -7.725 -13.699 -6.203 152 HA PRO 18 HA PRO 18 -6.573 -9.005 -3.248 153 HB2 PRO 18 1HB PRO 18 -8.919 -10.269 -1.860 154 HB3 PRO 18 2HB PRO 18 -7.911 -8.900 -1.347 155 HG2 PRO 18 1HG PRO 18 -10.367 -8.542 -2.346 156 HG3 PRO 18 2HG PRO 18 -9.051 -7.399 -2.665 157 HD2 PRO 18 1HD PRO 18 -10.301 -9.374 -4.510 158 HD3 PRO 18 2HD PRO 18 -9.486 -7.837 -4.870 159 H ASP 19 H ASP 19 -5.084 -10.530 -2.674 160 HA ASP 19 HA ASP 19 -5.838 -13.429 -2.897 161 HB2 ASP 19 1HB ASP 19 -3.244 -12.002 -3.514 162 HB3 ASP 19 2HB ASP 19 -3.378 -13.755 -3.381 163 H HIS 20 H HIS 20 -5.200 -14.779 -1.231 164 HA HIS 20 HA HIS 20 -3.547 -13.665 0.960 165 HB2 HIS 20 1HB HIS 20 -5.208 -14.349 2.659 166 HB3 HIS 20 2HB HIS 20 -5.837 -13.087 1.605 167 HD1 HIS 20 HD1 HIS 20 -7.072 -14.328 -0.687 168 HD2 HIS 20 HD2 HIS 20 -7.098 -16.301 2.985 169 HE1 HIS 20 HE1 HIS 20 -8.975 -15.999 -0.785 170 HA PRO 21 HA PRO 21 -2.731 -18.142 0.213 171 HB2 PRO 21 1HB PRO 21 -0.046 -17.986 -0.107 172 HB3 PRO 21 2HB PRO 21 -1.163 -17.583 -1.426 173 HG2 PRO 21 1HG PRO 21 0.395 -15.776 0.352 174 HG3 PRO 21 2HG PRO 21 -0.036 -15.583 -1.356 175 HD2 PRO 21 1HD PRO 21 -1.365 -14.369 0.815 176 HD3 PRO 21 2HD PRO 21 -2.007 -14.507 -0.838 177 H TRP 22 H TRP 22 -1.824 -15.805 2.491 178 HA TRP 22 HA TRP 22 -0.321 -17.621 4.250 179 HB2 TRP 22 1HB TRP 22 -1.278 -14.763 4.560 180 HB3 TRP 22 2HB TRP 22 -0.356 -15.630 5.787 181 HD1 TRP 22 HD1 TRP 22 0.823 -16.734 2.471 182 HE1 TRP 22 HE1 TRP 22 3.006 -15.552 1.831 183 HE3 TRP 22 HE3 TRP 22 0.882 -12.994 5.971 184 HZ2 TRP 22 HZ2 TRP 22 4.578 -13.337 2.666 185 HZ3 TRP 22 HZ3 TRP 22 2.750 -11.364 6.012 186 HH2 TRP 22 HH2 TRP 22 4.595 -11.532 4.365 187 H GLU 23 H GLU 23 -1.560 -19.183 5.114 188 HA GLU 23 HA GLU 23 -4.336 -18.892 5.790 189 HB2 GLU 23 1HB GLU 23 -4.097 -21.089 6.817 190 HB3 GLU 23 2HB GLU 23 -3.213 -21.065 5.290 191 HG2 GLU 23 1HG GLU 23 -1.119 -20.546 6.570 192 HG3 GLU 23 2HG GLU 23 -2.031 -20.744 8.067 193 H LYS 24 H LYS 24 -1.336 -18.493 7.611 194 HA LYS 24 HA LYS 24 -2.663 -18.270 10.187 195 HB2 LYS 24 1HB LYS 24 0.098 -17.403 9.288 196 HB3 LYS 24 2HB LYS 24 -0.451 -17.435 10.964 197 HG2 LYS 24 1HG LYS 24 -0.949 -19.893 10.664 198 HG3 LYS 24 2HG LYS 24 -0.165 -19.796 9.089 199 HD2 LYS 24 1HD LYS 24 1.186 -18.984 11.676 200 HD3 LYS 24 2HD LYS 24 1.341 -20.588 10.961 201 HE2 LYS 24 1HE LYS 24 2.107 -19.375 8.820 202 HE3 LYS 24 2HE LYS 24 2.283 -17.945 9.837 203 HZ1 LYS 24 3HZ LYS 24 4.344 -18.854 10.042 204 HZ2 LYS 24 1HZ LYS 24 3.797 -20.450 9.876 205 HZ3 LYS 24 2HZ LYS 24 3.574 -19.627 11.344 206 H PHE 25 H PHE 25 -2.557 -16.261 7.519 207 HA PHE 25 HA PHE 25 -3.373 -13.920 9.172 208 HB2 PHE 25 1HB PHE 25 -1.319 -13.866 6.951 209 HB3 PHE 25 2HB PHE 25 -2.063 -12.432 7.653 210 HD1 PHE 25 HD2 PHE 25 -1.599 -11.759 9.965 211 HD2 PHE 25 HD1 PHE 25 0.265 -15.221 8.231 212 HE1 PHE 25 HE2 PHE 25 0.033 -11.816 11.832 213 HE2 PHE 25 HE1 PHE 25 1.895 -15.277 10.099 214 HZ PHE 25 HZ PHE 25 1.780 -13.575 11.899 215 HA PRO 26 HA PRO 26 -6.139 -14.926 5.520 216 HB2 PRO 26 1HB PRO 26 -8.501 -14.910 6.948 217 HB3 PRO 26 2HB PRO 26 -7.507 -16.358 6.711 218 HG2 PRO 26 1HG PRO 26 -7.706 -14.563 9.081 219 HG3 PRO 26 2HG PRO 26 -7.509 -16.324 9.011 220 HD2 PRO 26 1HD PRO 26 -5.447 -14.598 9.544 221 HD3 PRO 26 2HD PRO 26 -5.203 -16.189 8.793 222 H ASP 27 H ASP 27 -5.975 -12.461 7.925 223 HA ASP 27 HA ASP 27 -7.931 -10.695 6.620 224 HB2 ASP 27 1HB ASP 27 -5.982 -10.318 8.909 225 HB3 ASP 27 2HB ASP 27 -7.059 -9.045 8.333 226 H TYR 28 H TYR 28 -4.787 -11.617 5.978 227 HA TYR 28 HA TYR 28 -3.809 -8.983 5.114 228 HB2 TYR 28 1HB TYR 28 -2.679 -11.770 5.165 229 HB3 TYR 28 2HB TYR 28 -1.926 -10.558 4.131 230 HD1 TYR 28 HD2 TYR 28 -3.556 -10.098 7.480 231 HD2 TYR 28 HD1 TYR 28 0.098 -10.040 5.223 232 HE1 TYR 28 HE2 TYR 28 -2.380 -9.132 9.420 233 HE2 TYR 28 HE1 TYR 28 1.279 -9.069 7.175 234 HH TYR 28 HH TYR 28 0.130 -7.540 9.433 235 H ALA 29 H ALA 29 -3.462 -8.372 2.961 236 HA ALA 29 HA ALA 29 -4.751 -10.081 0.865 237 HB1 ALA 29 3HB ALA 29 -5.028 -7.078 1.191 238 HB2 ALA 29 1HB ALA 29 -6.291 -8.259 1.534 239 HB3 ALA 29 2HB ALA 29 -5.713 -8.043 -0.119 240 H VAL 30 H VAL 30 -3.541 -10.270 -0.953 241 HA VAL 30 HA VAL 30 -1.132 -8.505 -1.231 242 HB VAL 30 HB VAL 30 -1.340 -11.295 -2.354 243 HG11 VAL 30 1HG1 VAL 30 1.048 -9.682 -1.416 244 HG12 VAL 30 2HG1 VAL 30 0.448 -9.635 -3.073 245 HG13 VAL 30 3HG1 VAL 30 1.063 -11.144 -2.400 246 HG21 VAL 30 3HG2 VAL 30 -1.759 -11.567 0.016 247 HG22 VAL 30 1HG2 VAL 30 -0.456 -10.447 0.418 248 HG23 VAL 30 2HG2 VAL 30 -0.083 -12.017 -0.294 249 H PHE 31 H PHE 31 -1.030 -7.353 -3.078 250 HA PHE 31 HA PHE 31 -2.868 -8.092 -5.334 251 HB2 PHE 31 1HB PHE 31 -1.905 -5.381 -4.383 252 HB3 PHE 31 2HB PHE 31 -2.805 -5.646 -5.880 253 HD1 PHE 31 HD2 PHE 31 -5.111 -6.623 -5.790 254 HD2 PHE 31 HD1 PHE 31 -3.005 -5.396 -2.254 255 HE1 PHE 31 HE2 PHE 31 -7.240 -6.625 -4.522 256 HE2 PHE 31 HE1 PHE 31 -5.135 -5.399 -0.985 257 HZ PHE 31 HZ PHE 31 -7.252 -6.012 -2.119 258 H ARG 32 H ARG 32 -1.665 -8.972 -6.948 259 HA ARG 32 HA ARG 32 0.882 -7.608 -7.730 260 HB2 ARG 32 1HB ARG 32 0.716 -10.605 -7.982 261 HB3 ARG 32 2HB ARG 32 2.119 -9.569 -7.780 262 HG2 ARG 32 1HG ARG 32 1.916 -10.623 -5.690 263 HG3 ARG 32 2HG ARG 32 1.198 -9.038 -5.436 264 HD2 ARG 32 1HD ARG 32 -0.853 -9.943 -4.999 265 HD3 ARG 32 2HD ARG 32 -0.772 -11.048 -6.358 266 HE ARG 32 HE ARG 32 -0.160 -11.707 -3.633 267 HH11 ARG 32 1HH2 ARG 32 0.826 -12.209 -6.906 268 HH12 ARG 32 2HH2 ARG 32 1.455 -13.794 -6.605 269 HH21 ARG 32 1HH1 ARG 32 0.641 -13.761 -3.236 270 HH22 ARG 32 2HH1 ARG 32 1.349 -14.672 -4.527 271 H HIS 33 H HIS 33 1.463 -8.030 -9.969 272 HA HIS 33 HA HIS 33 -0.884 -8.007 -11.677 273 HB2 HIS 33 1HB HIS 33 1.738 -7.009 -11.820 274 HB3 HIS 33 2HB HIS 33 1.693 -8.233 -13.079 275 HD1 HIS 33 HD1 HIS 33 -0.784 -8.035 -14.487 276 HD2 HIS 33 HD2 HIS 33 0.887 -4.604 -12.816 277 HE1 HIS 33 HE1 HIS 33 -1.861 -6.071 -15.664 278 H SER 34 H SER 34 -1.275 -9.453 -13.426 279 HA SER 34 HA SER 34 -0.587 -12.255 -12.804 280 HB2 SER 34 1HB SER 34 -2.346 -12.820 -14.287 281 HB3 SER 34 2HB SER 34 -2.913 -11.354 -13.491 282 HG SER 34 HG SER 34 -2.587 -10.233 -15.291 283 H ASP 35 H ASP 35 -0.376 -10.034 -15.616 284 HA ASP 35 HA ASP 35 1.538 -11.895 -16.923 285 HB2 ASP 35 1HB ASP 35 0.102 -9.409 -17.866 286 HB3 ASP 35 2HB ASP 35 1.291 -10.274 -18.841 287 H ASN 36 H ASN 36 1.500 -8.770 -15.312 288 HA ASN 36 HA ASN 36 4.322 -8.271 -16.177 289 HB2 ASN 36 1HB ASN 36 2.539 -6.352 -14.677 290 HB3 ASN 36 2HB ASN 36 3.991 -5.990 -15.610 291 HD21 ASN 36 2HD2 ASN 36 2.096 -4.455 -16.545 292 HD22 ASN 36 1HD2 ASN 36 1.313 -5.077 -17.918 293 H ASP 37 H ASP 37 3.519 -10.264 -14.104 294 HA ASP 37 HA ASP 37 3.778 -9.537 -11.463 295 HB2 ASP 37 1HB ASP 37 5.072 -11.834 -12.940 296 HB3 ASP 37 2HB ASP 37 5.158 -11.672 -11.185 297 H LYS 38 H LYS 38 5.037 -7.579 -11.336 298 HA LYS 38 HA LYS 38 7.947 -8.074 -11.060 299 HB2 LYS 38 1HB LYS 38 7.573 -7.105 -13.338 300 HB3 LYS 38 2HB LYS 38 6.787 -5.717 -12.582 301 HG2 LYS 38 1HG LYS 38 8.826 -5.174 -11.363 302 HG3 LYS 38 2HG LYS 38 9.627 -6.607 -12.010 303 HD2 LYS 38 1HD LYS 38 9.347 -5.716 -14.297 304 HD3 LYS 38 2HD LYS 38 8.580 -4.274 -13.632 305 HE2 LYS 38 1HE LYS 38 10.624 -3.732 -12.383 306 HE3 LYS 38 2HE LYS 38 11.396 -5.201 -12.981 307 HZ1 LYS 38 3HZ LYS 38 11.301 -2.699 -14.199 308 HZ2 LYS 38 1HZ LYS 38 10.373 -3.748 -15.156 309 HZ3 LYS 38 2HZ LYS 38 11.990 -4.129 -14.802 310 H TRP 39 H TRP 39 5.056 -6.205 -10.378 311 HA TRP 39 HA TRP 39 6.475 -4.626 -8.298 312 HB2 TRP 39 1HB TRP 39 4.608 -3.193 -8.260 313 HB3 TRP 39 2HB TRP 39 4.729 -3.647 -9.957 314 HD1 TRP 39 HD1 TRP 39 3.287 -6.237 -10.268 315 HE1 TRP 39 HE1 TRP 39 0.802 -6.565 -9.678 316 HE3 TRP 39 HE3 TRP 39 2.626 -2.351 -7.022 317 HZ2 TRP 39 HZ2 TRP 39 -1.203 -5.350 -8.044 318 HZ3 TRP 39 HZ3 TRP 39 0.419 -1.961 -5.963 319 HH2 TRP 39 HH2 TRP 39 -1.495 -3.454 -6.470 320 H TYR 40 H TYR 40 5.556 -4.566 -6.095 321 HA TYR 40 HA TYR 40 3.933 -6.951 -5.365 322 HB2 TYR 40 1HB TYR 40 6.351 -7.502 -5.069 323 HB3 TYR 40 2HB TYR 40 6.488 -6.144 -3.951 324 HD1 TYR 40 HD2 TYR 40 4.240 -9.093 -4.559 325 HD2 TYR 40 HD1 TYR 40 6.243 -6.619 -1.673 326 HE1 TYR 40 HE2 TYR 40 3.362 -10.514 -2.734 327 HE2 TYR 40 HE1 TYR 40 5.367 -8.047 0.154 328 HH TYR 40 HH TYR 40 4.559 -10.439 0.389 329 H ALA 41 H ALA 41 2.301 -6.361 -4.075 330 HA ALA 41 HA ALA 41 2.680 -4.202 -2.098 331 HB1 ALA 41 3HB ALA 41 0.676 -4.074 -4.366 332 HB2 ALA 41 1HB ALA 41 1.929 -2.895 -3.971 333 HB3 ALA 41 2HB ALA 41 0.542 -3.098 -2.901 334 H LEU 42 H LEU 42 1.112 -4.290 -0.422 335 HA LEU 42 HA LEU 42 -1.015 -6.316 -0.574 336 HB2 LEU 42 1HB LEU 42 -0.236 -7.361 1.585 337 HB3 LEU 42 2HB LEU 42 0.769 -7.738 0.190 338 HG LEU 42 HG LEU 42 1.524 -5.292 1.762 339 HD11 LEU 42 1HD1 LEU 42 2.799 -6.684 3.391 340 HD12 LEU 42 2HD1 LEU 42 1.977 -8.116 2.772 341 HD13 LEU 42 3HD1 LEU 42 1.053 -6.850 3.579 342 HD21 LEU 42 3HD2 LEU 42 3.801 -6.174 1.272 343 HD22 LEU 42 1HD2 LEU 42 2.841 -5.992 -0.194 344 HD23 LEU 42 2HD2 LEU 42 3.072 -7.586 0.519 345 H LEU 43 H LEU 43 -2.572 -6.058 1.096 346 HA LEU 43 HA LEU 43 -2.309 -3.492 2.630 347 HB2 LEU 43 1HB LEU 43 -3.971 -3.478 0.737 348 HB3 LEU 43 2HB LEU 43 -4.858 -4.742 1.569 349 HG LEU 43 HG LEU 43 -4.152 -2.170 3.001 350 HD11 LEU 43 1HD1 LEU 43 -5.240 -1.436 0.970 351 HD12 LEU 43 2HD1 LEU 43 -6.372 -1.276 2.310 352 HD13 LEU 43 3HD1 LEU 43 -6.529 -2.622 1.178 353 HD21 LEU 43 3HD2 LEU 43 -5.073 -3.626 4.570 354 HD22 LEU 43 1HD2 LEU 43 -6.122 -4.417 3.398 355 HD23 LEU 43 2HD2 LEU 43 -6.523 -2.819 4.006 356 H MET 44 H MET 44 -2.448 -3.734 4.800 357 HA MET 44 HA MET 44 -4.021 -5.984 5.917 358 HB2 MET 44 1HB MET 44 -1.970 -6.441 7.472 359 HB3 MET 44 2HB MET 44 -1.966 -7.122 5.848 360 HG2 MET 44 1HG MET 44 -0.595 -5.258 5.039 361 HG3 MET 44 2HG MET 44 -0.640 -4.514 6.638 362 HE1 MET 44 3HE MET 44 3.015 -5.840 6.076 363 HE2 MET 44 1HE MET 44 2.103 -4.474 6.734 364 HE3 MET 44 2HE MET 44 1.854 -4.984 5.064 365 H ASP 45 H ASP 45 -4.461 -5.712 8.184 366 HA ASP 45 HA ASP 45 -4.442 -2.860 9.015 367 HB2 ASP 45 1HB ASP 45 -6.558 -4.261 9.016 368 HB3 ASP 45 2HB ASP 45 -5.844 -5.202 10.327 369 H ILE 46 H ILE 46 -2.732 -2.280 10.245 370 HA ILE 46 HA ILE 46 -1.633 -4.275 12.181 371 HB ILE 46 HB ILE 46 0.494 -2.870 12.009 372 HG12 ILE 46 1HG1 ILE 46 -0.756 -1.951 9.412 373 HG13 ILE 46 2HG1 ILE 46 -0.778 -0.958 10.871 374 HG21 ILE 46 1HG2 ILE 46 -0.550 -4.405 9.617 375 HG22 ILE 46 2HG2 ILE 46 0.353 -5.058 10.985 376 HG23 ILE 46 3HG2 ILE 46 1.143 -3.963 9.850 377 HD11 ILE 46 3HD1 ILE 46 1.160 -0.324 9.554 378 HD12 ILE 46 1HD1 ILE 46 1.673 -2.005 9.425 379 HD13 ILE 46 2HD1 ILE 46 1.724 -1.183 10.984 380 HA PRO 47 HA PRO 47 -2.841 -1.564 15.454 381 HB2 PRO 47 1HB PRO 47 -0.712 -1.946 17.218 382 HB3 PRO 47 2HB PRO 47 -2.080 -3.060 17.031 383 HG2 PRO 47 1HG PRO 47 0.647 -3.207 15.829 384 HG3 PRO 47 2HG PRO 47 -0.353 -4.500 16.513 385 HD2 PRO 47 1HD PRO 47 -0.121 -4.159 13.859 386 HD3 PRO 47 2HD PRO 47 -1.660 -4.681 14.586 387 H ALA 48 H ALA 48 -2.515 0.544 16.146 388 HA ALA 48 HA ALA 48 -0.690 2.177 14.654 389 HB1 ALA 48 3HB ALA 48 -2.478 2.720 17.015 390 HB2 ALA 48 1HB ALA 48 -2.740 3.174 15.329 391 HB3 ALA 48 2HB ALA 48 -1.483 3.972 16.274 392 H GLU 49 H GLU 49 -0.444 0.484 17.657 393 HA GLU 49 HA GLU 49 1.604 2.118 18.874 394 HB2 GLU 49 1HB GLU 49 0.808 -0.774 19.296 395 HB3 GLU 49 2HB GLU 49 1.976 0.083 20.302 396 HG2 GLU 49 1HG GLU 49 0.278 1.742 20.907 397 HG3 GLU 49 2HG GLU 49 -0.888 0.951 19.848 398 H LYS 50 H LYS 50 1.655 -0.238 16.335 399 HA LYS 50 HA LYS 50 4.504 -0.885 16.688 400 HB2 LYS 50 1HB LYS 50 2.270 -1.753 14.917 401 HB3 LYS 50 2HB LYS 50 3.886 -1.869 14.222 402 HG2 LYS 50 1HG LYS 50 3.124 -3.948 15.413 403 HG3 LYS 50 2HG LYS 50 4.642 -3.285 16.020 404 HD2 LYS 50 1HD LYS 50 3.703 -2.577 18.028 405 HD3 LYS 50 2HD LYS 50 2.104 -2.353 17.336 406 HE2 LYS 50 1HE LYS 50 2.103 -4.286 18.839 407 HE3 LYS 50 2HE LYS 50 1.862 -4.829 17.178 408 HZ1 LYS 50 3HZ LYS 50 4.603 -4.705 17.638 409 HZ2 LYS 50 1HZ LYS 50 3.651 -6.085 17.381 410 HZ3 LYS 50 2HZ LYS 50 3.915 -5.519 18.961 411 H ILE 51 H ILE 51 2.752 1.653 15.243 412 HA ILE 51 HA ILE 51 5.039 2.283 13.410 413 HB ILE 51 HB ILE 51 3.366 3.984 12.459 414 HG12 ILE 51 1HG1 ILE 51 1.491 2.238 14.075 415 HG13 ILE 51 2HG1 ILE 51 1.776 3.957 14.332 416 HG21 ILE 51 1HG2 ILE 51 2.356 2.300 11.023 417 HG22 ILE 51 2HG2 ILE 51 2.611 1.051 12.238 418 HG23 ILE 51 3HG2 ILE 51 3.989 1.773 11.410 419 HD11 ILE 51 3HD1 ILE 51 0.988 4.341 11.954 420 HD12 ILE 51 1HD1 ILE 51 -0.263 3.755 13.047 421 HD13 ILE 51 2HD1 ILE 51 0.500 2.649 11.913 422 H GLY 52 H GLY 52 4.028 2.917 16.472 423 HA2 GLY 52 1HA GLY 52 5.101 4.446 17.956 424 HA3 GLY 52 2HA GLY 52 5.677 5.359 16.567 425 H ILE 53 H ILE 53 2.459 4.861 15.964 426 HA ILE 53 HA ILE 53 1.837 7.614 16.758 427 HB ILE 53 HB ILE 53 0.192 5.495 15.355 428 HG12 ILE 53 1HG1 ILE 53 1.534 8.041 14.381 429 HG13 ILE 53 2HG1 ILE 53 2.155 6.413 14.128 430 HG21 ILE 53 1HG2 ILE 53 -1.349 6.968 16.503 431 HG22 ILE 53 2HG2 ILE 53 -1.315 7.462 14.817 432 HG23 ILE 53 3HG2 ILE 53 -0.426 8.390 16.022 433 HD11 ILE 53 3HD1 ILE 53 1.014 6.672 12.141 434 HD12 ILE 53 1HD1 ILE 53 -0.161 7.782 12.839 435 HD13 ILE 53 2HD1 ILE 53 -0.310 6.053 13.120 436 H ASN 54 H ASN 54 0.700 8.233 18.516 437 HA ASN 54 HA ASN 54 -0.058 6.193 20.488 438 HB2 ASN 54 1HB ASN 54 -0.096 9.222 20.511 439 HB3 ASN 54 2HB ASN 54 -0.589 8.228 21.884 440 HD21 ASN 54 2HD2 ASN 54 1.828 10.073 21.560 441 HD22 ASN 54 1HD2 ASN 54 3.165 9.092 21.918 442 H GLY 55 H GLY 55 -1.921 5.181 19.725 443 HA2 GLY 55 1HA GLY 55 -4.411 6.708 19.979 444 HA3 GLY 55 2HA GLY 55 -4.112 6.055 18.366 445 H ASP 56 H ASP 56 -2.592 3.777 19.714 446 HA ASP 56 HA ASP 56 -3.088 1.557 20.270 447 HB2 ASP 56 1HB ASP 56 -5.092 3.038 21.999 448 HB3 ASP 56 2HB ASP 56 -4.844 1.294 22.087 449 H LYS 57 H LYS 57 -4.639 3.049 18.077 450 HA LYS 57 HA LYS 57 -7.021 1.240 17.927 451 HB2 LYS 57 1HB LYS 57 -7.979 2.837 16.394 452 HB3 LYS 57 2HB LYS 57 -7.452 3.698 17.838 453 HG2 LYS 57 1HG LYS 57 -5.312 4.257 16.642 454 HG3 LYS 57 2HG LYS 57 -6.000 3.555 15.179 455 HD2 LYS 57 1HD LYS 57 -7.323 5.781 16.746 456 HD3 LYS 57 2HD LYS 57 -6.275 6.060 15.359 457 HE2 LYS 57 1HE LYS 57 -7.844 4.451 14.081 458 HE3 LYS 57 2HE LYS 57 -8.960 4.681 15.428 459 HZ1 LYS 57 3HZ LYS 57 -9.230 6.236 13.493 460 HZ2 LYS 57 1HZ LYS 57 -7.761 6.948 13.955 461 HZ3 LYS 57 2HZ LYS 57 -9.085 6.970 15.018 462 H ARG 58 H ARG 58 -7.511 0.328 15.816 463 HA ARG 58 HA ARG 58 -5.082 -0.636 14.479 464 HB2 ARG 58 1HB ARG 58 -8.023 -1.234 14.046 465 HB3 ARG 58 2HB ARG 58 -6.705 -2.041 13.196 466 HG2 ARG 58 1HG ARG 58 -5.785 -2.826 15.341 467 HG3 ARG 58 2HG ARG 58 -7.084 -2.003 16.204 468 HD2 ARG 58 1HD ARG 58 -7.564 -4.144 14.113 469 HD3 ARG 58 2HD ARG 58 -7.477 -4.473 15.843 470 HE ARG 58 HE ARG 58 -9.367 -2.424 15.563 471 HH11 ARG 58 1HH2 ARG 58 -8.872 -5.650 14.433 472 HH12 ARG 58 2HH2 ARG 58 -10.564 -6.008 14.321 473 HH21 ARG 58 1HH1 ARG 58 -11.572 -2.884 15.427 474 HH22 ARG 58 2HH1 ARG 58 -12.090 -4.444 14.883 475 H VAL 59 H VAL 59 -4.479 -0.147 12.360 476 HA VAL 59 HA VAL 59 -6.183 1.808 10.862 477 HB VAL 59 HB VAL 59 -4.138 3.029 10.225 478 HG11 VAL 59 1HG1 VAL 59 -3.856 4.196 12.316 479 HG12 VAL 59 2HG1 VAL 59 -4.353 2.775 13.235 480 HG13 VAL 59 3HG1 VAL 59 -5.528 3.642 12.246 481 HG21 VAL 59 3HG2 VAL 59 -2.473 1.281 10.450 482 HG22 VAL 59 1HG2 VAL 59 -2.832 1.099 12.167 483 HG23 VAL 59 2HG2 VAL 59 -2.058 2.571 11.580 484 H ASP 60 H ASP 60 -5.724 1.832 8.547 485 HA ASP 60 HA ASP 60 -4.840 -0.858 7.593 486 HB2 ASP 60 1HB ASP 60 -6.489 1.333 6.307 487 HB3 ASP 60 2HB ASP 60 -6.008 -0.153 5.487 488 H VAL 61 H VAL 61 -3.071 -1.057 6.256 489 HA VAL 61 HA VAL 61 -1.834 1.443 5.185 490 HB VAL 61 HB VAL 61 0.382 0.647 5.875 491 HG11 VAL 61 1HG1 VAL 61 -1.398 0.564 8.313 492 HG12 VAL 61 2HG1 VAL 61 -1.183 2.048 7.386 493 HG13 VAL 61 3HG1 VAL 61 0.206 1.278 8.147 494 HG21 VAL 61 3HG2 VAL 61 -1.215 -1.605 7.132 495 HG22 VAL 61 1HG2 VAL 61 0.471 -1.267 7.520 496 HG23 VAL 61 2HG2 VAL 61 0.024 -1.748 5.884 497 H ILE 62 H ILE 62 -0.393 1.079 3.400 498 HA ILE 62 HA ILE 62 -0.624 -1.598 2.092 499 HB ILE 62 HB ILE 62 -1.061 -0.438 -0.077 500 HG12 ILE 62 1HG1 ILE 62 -1.586 1.975 1.687 501 HG13 ILE 62 2HG1 ILE 62 -0.165 1.788 0.660 502 HG21 ILE 62 1HG2 ILE 62 -3.450 0.059 0.426 503 HG22 ILE 62 2HG2 ILE 62 -3.070 0.012 2.148 504 HG23 ILE 62 3HG2 ILE 62 -2.901 -1.441 1.166 505 HD11 ILE 62 3HD1 ILE 62 -1.750 1.463 -1.295 506 HD12 ILE 62 1HD1 ILE 62 -1.753 3.082 -0.594 507 HD13 ILE 62 2HD1 ILE 62 -3.052 1.954 -0.214 508 H ASP 63 H ASP 63 1.149 -2.150 0.819 509 HA ASP 63 HA ASP 63 3.596 -0.631 1.361 510 HB2 ASP 63 1HB ASP 63 2.943 -3.234 0.001 511 HB3 ASP 63 2HB ASP 63 4.548 -2.522 -0.189 512 H LEU 64 H LEU 64 4.818 0.512 -0.137 513 HA LEU 64 HA LEU 64 3.719 0.745 -2.907 514 HB2 LEU 64 1HB LEU 64 3.173 2.679 -1.166 515 HB3 LEU 64 2HB LEU 64 4.828 3.165 -1.500 516 HG LEU 64 HG LEU 64 3.384 4.363 -3.022 517 HD11 LEU 64 1HD1 LEU 64 4.505 2.125 -4.698 518 HD12 LEU 64 2HD1 LEU 64 5.562 3.263 -3.861 519 HD13 LEU 64 3HD1 LEU 64 4.427 3.842 -5.072 520 HD21 LEU 64 3HD2 LEU 64 1.604 2.344 -2.832 521 HD22 LEU 64 1HD2 LEU 64 2.353 1.880 -4.360 522 HD23 LEU 64 2HD2 LEU 64 1.601 3.461 -4.188 523 H LYS 65 H LYS 65 5.287 0.353 -4.357 524 HA LYS 65 HA LYS 65 8.061 0.091 -3.472 525 HB2 LYS 65 1HB LYS 65 7.068 -1.525 -5.045 526 HB3 LYS 65 2HB LYS 65 6.806 -0.229 -6.212 527 HG2 LYS 65 1HG LYS 65 9.211 0.168 -6.371 528 HG3 LYS 65 2HG LYS 65 9.518 -1.040 -5.124 529 HD2 LYS 65 1HD LYS 65 8.528 -2.779 -6.577 530 HD3 LYS 65 2HD LYS 65 8.245 -1.566 -7.826 531 HE2 LYS 65 1HE LYS 65 10.653 -1.121 -7.971 532 HE3 LYS 65 2HE LYS 65 10.960 -2.287 -6.685 533 HZ1 LYS 65 3HZ LYS 65 9.507 -3.738 -8.402 534 HZ2 LYS 65 1HZ LYS 65 11.202 -3.709 -8.377 535 HZ3 LYS 65 2HZ LYS 65 10.354 -2.729 -9.476 536 H VAL 66 H VAL 66 9.633 1.584 -3.714 537 HA VAL 66 HA VAL 66 9.283 3.764 -5.718 538 HB VAL 66 HB VAL 66 10.062 5.423 -4.026 539 HG11 VAL 66 1HG1 VAL 66 7.569 4.076 -2.992 540 HG12 VAL 66 2HG1 VAL 66 7.585 4.862 -4.572 541 HG13 VAL 66 3HG1 VAL 66 7.923 5.797 -3.118 542 HG21 VAL 66 3HG2 VAL 66 9.636 4.601 -1.578 543 HG22 VAL 66 1HG2 VAL 66 11.159 4.186 -2.355 544 HG23 VAL 66 2HG2 VAL 66 9.869 2.991 -2.245 545 H GLN 67 H GLN 67 11.351 4.939 -6.075 546 HA GLN 67 HA GLN 67 13.536 2.997 -6.144 547 HB2 GLN 67 1HB GLN 67 13.047 5.712 -7.342 548 HB3 GLN 67 2HB GLN 67 14.673 5.033 -7.353 549 HG2 GLN 67 1HG GLN 67 13.802 2.996 -8.467 550 HG3 GLN 67 2HG GLN 67 12.193 3.714 -8.491 551 HE21 GLN 67 2HE2 GLN 67 13.272 6.458 -9.055 552 HE22 GLN 67 1HE2 GLN 67 13.754 6.429 -10.684 553 HA PRO 68 HA PRO 68 15.957 4.260 -2.633 554 HB2 PRO 68 1HB PRO 68 18.140 4.922 -4.590 555 HB3 PRO 68 2HB PRO 68 18.212 3.939 -3.115 556 HG2 PRO 68 1HG PRO 68 18.149 2.839 -5.559 557 HG3 PRO 68 2HG PRO 68 17.375 2.072 -4.160 558 HD2 PRO 68 1HD PRO 68 16.110 3.413 -6.492 559 HD3 PRO 68 2HD PRO 68 15.446 2.190 -5.385 560 H GLU 69 H GLU 69 16.067 6.403 -5.474 561 HA GLU 69 HA GLU 69 16.737 8.736 -3.783 562 HB2 GLU 69 1HB GLU 69 16.209 8.463 -6.753 563 HB3 GLU 69 2HB GLU 69 16.660 9.969 -5.956 564 HG2 GLU 69 1HG GLU 69 18.314 7.427 -5.907 565 HG3 GLU 69 2HG GLU 69 18.612 8.801 -6.973 566 H LEU 70 H LEU 70 13.913 7.222 -5.147 567 HA LEU 70 HA LEU 70 12.280 9.673 -4.745 568 HB2 LEU 70 1HB LEU 70 11.495 6.935 -5.801 569 HB3 LEU 70 2HB LEU 70 10.473 8.372 -5.795 570 HG LEU 70 HG LEU 70 13.129 8.116 -7.247 571 HD11 LEU 70 1HD1 LEU 70 11.132 6.795 -8.163 572 HD12 LEU 70 2HD1 LEU 70 11.894 7.934 -9.275 573 HD13 LEU 70 3HD1 LEU 70 10.378 8.358 -8.481 574 HD21 LEU 70 3HD2 LEU 70 12.103 10.278 -8.366 575 HD22 LEU 70 1HD2 LEU 70 12.928 10.415 -6.817 576 HD23 LEU 70 2HD2 LEU 70 11.164 10.376 -6.878 577 H VAL 71 H VAL 71 13.351 7.077 -2.917 578 HA VAL 71 HA VAL 71 10.994 6.459 -1.378 579 HB VAL 71 HB VAL 71 13.112 5.084 -1.439 580 HG11 VAL 71 1HG1 VAL 71 14.193 6.988 0.635 581 HG12 VAL 71 2HG1 VAL 71 14.523 7.253 -1.073 582 HG13 VAL 71 3HG1 VAL 71 15.051 5.761 -0.297 583 HG21 VAL 71 3HG2 VAL 71 11.441 4.650 0.278 584 HG22 VAL 71 1HG2 VAL 71 12.058 5.977 1.263 585 HG23 VAL 71 2HG2 VAL 71 13.044 4.538 1.005 586 H GLY 72 H GLY 72 13.616 8.808 -0.967 587 HA2 GLY 72 1HA GLY 72 12.807 9.785 1.590 588 HA3 GLY 72 2HA GLY 72 13.790 10.679 0.428 589 H SER 73 H SER 73 11.910 10.737 -1.713 590 HA SER 73 HA SER 73 10.388 13.052 -1.048 591 HB2 SER 73 1HB SER 73 11.039 12.441 -3.354 592 HB3 SER 73 2HB SER 73 9.956 11.053 -3.287 593 HG SER 73 HG SER 73 8.229 12.402 -3.213 594 H LEU 74 H LEU 74 9.382 9.654 -1.430 595 HA LEU 74 HA LEU 74 6.636 10.189 -0.636 596 HB2 LEU 74 1HB LEU 74 7.088 8.305 -2.070 597 HB3 LEU 74 2HB LEU 74 8.247 7.644 -0.923 598 HG LEU 74 HG LEU 74 5.556 8.105 0.255 599 HD11 LEU 74 1HD1 LEU 74 4.627 6.015 -0.817 600 HD12 LEU 74 2HD1 LEU 74 5.916 6.130 -2.009 601 HD13 LEU 74 3HD1 LEU 74 4.717 7.414 -1.884 602 HD21 LEU 74 3HD2 LEU 74 7.279 5.610 0.093 603 HD22 LEU 74 1HD2 LEU 74 5.971 5.921 1.233 604 HD23 LEU 74 2HD2 LEU 74 7.464 6.857 1.324 605 H ARG 75 H ARG 75 9.502 8.853 0.940 606 HA ARG 75 HA ARG 75 8.220 8.225 3.430 607 HB2 ARG 75 1HB ARG 75 10.397 7.288 2.541 608 HB3 ARG 75 2HB ARG 75 11.149 8.812 3.015 609 HG2 ARG 75 1HG ARG 75 10.389 8.460 5.342 610 HG3 ARG 75 2HG ARG 75 9.655 6.929 4.866 611 HD2 ARG 75 1HD ARG 75 11.920 6.162 4.086 612 HD3 ARG 75 2HD ARG 75 12.602 7.636 4.774 613 HE ARG 75 HE ARG 75 10.998 6.139 6.688 614 HH11 ARG 75 1HH2 ARG 75 14.075 6.502 5.168 615 HH12 ARG 75 2HH2 ARG 75 14.949 5.761 6.468 616 HH21 ARG 75 1HH1 ARG 75 12.123 5.172 8.384 617 HH22 ARG 75 2HH1 ARG 75 13.844 5.008 8.287 618 H LYS 76 H LYS 76 9.970 11.115 2.310 619 HA LYS 76 HA LYS 76 9.979 12.344 4.933 620 HB2 LYS 76 1HB LYS 76 10.844 14.289 3.842 621 HB3 LYS 76 2HB LYS 76 11.554 12.902 3.030 622 HG2 LYS 76 1HG LYS 76 10.833 13.885 1.093 623 HG3 LYS 76 2HG LYS 76 9.237 13.294 1.540 624 HD2 LYS 76 1HD LYS 76 8.762 15.428 2.678 625 HD3 LYS 76 2HD LYS 76 10.379 16.007 2.280 626 HE2 LYS 76 1HE LYS 76 9.865 15.810 -0.124 627 HE3 LYS 76 2HE LYS 76 8.250 15.226 0.269 628 HZ1 LYS 76 3HZ LYS 76 8.033 17.361 1.597 629 HZ2 LYS 76 1HZ LYS 76 7.982 17.498 -0.092 630 HZ3 LYS 76 2HZ LYS 76 9.402 17.903 0.748 631 H LYS 77 H LYS 77 7.459 11.696 2.845 632 HA LYS 77 HA LYS 77 6.011 14.205 3.260 633 HB2 LYS 77 1HB LYS 77 5.394 11.580 1.941 634 HB3 LYS 77 2HB LYS 77 4.100 12.720 2.251 635 HG2 LYS 77 1HG LYS 77 6.621 13.670 0.897 636 HG3 LYS 77 2HG LYS 77 5.416 12.796 -0.042 637 HD2 LYS 77 1HD LYS 77 3.685 14.431 0.726 638 HD3 LYS 77 2HD LYS 77 4.957 15.345 1.538 639 HE2 LYS 77 1HE LYS 77 4.645 16.380 -0.597 640 HE3 LYS 77 2HE LYS 77 6.141 15.456 -0.710 641 HZ1 LYS 77 3HZ LYS 77 4.079 15.255 -2.424 642 HZ2 LYS 77 1HZ LYS 77 3.773 13.958 -1.376 643 HZ3 LYS 77 2HZ LYS 77 5.262 14.058 -2.190 644 HA PRO 78 HA PRO 78 4.161 13.064 7.121 645 HB2 PRO 78 1HB PRO 78 1.771 14.405 6.989 646 HB3 PRO 78 2HB PRO 78 3.331 15.213 7.246 647 HG2 PRO 78 1HG PRO 78 1.755 14.908 4.724 648 HG3 PRO 78 2HG PRO 78 2.619 16.327 5.349 649 HD2 PRO 78 1HD PRO 78 3.677 14.728 3.411 650 HD3 PRO 78 2HD PRO 78 4.690 15.564 4.610 651 H GLY 79 H GLY 79 2.636 11.662 8.067 652 HA2 GLY 79 1HA GLY 79 0.932 10.039 8.149 653 HA3 GLY 79 2HA GLY 79 0.424 10.560 6.548 654 H ILE 80 H ILE 80 3.690 10.018 6.386 655 HA ILE 80 HA ILE 80 3.232 7.290 5.245 656 HB ILE 80 HB ILE 80 5.586 9.135 4.800 657 HG12 ILE 80 1HG1 ILE 80 3.627 10.294 3.994 658 HG13 ILE 80 2HG1 ILE 80 4.439 9.594 2.598 659 HG21 ILE 80 1HG2 ILE 80 6.058 6.818 4.269 660 HG22 ILE 80 2HG2 ILE 80 5.813 7.686 2.755 661 HG23 ILE 80 3HG2 ILE 80 4.532 6.662 3.398 662 HD11 ILE 80 3HD1 ILE 80 1.902 8.693 3.935 663 HD12 ILE 80 1HD1 ILE 80 2.846 7.572 2.956 664 HD13 ILE 80 2HD1 ILE 80 2.194 9.033 2.231 665 H TYR 81 H TYR 81 4.073 5.581 6.256 666 HA TYR 81 HA TYR 81 6.229 6.047 8.284 667 HB2 TYR 81 1HB TYR 81 3.776 4.292 8.325 668 HB3 TYR 81 2HB TYR 81 5.166 3.897 9.331 669 HD1 TYR 81 HD2 TYR 81 2.698 6.565 8.545 670 HD2 TYR 81 HD1 TYR 81 5.622 5.108 11.333 671 HE1 TYR 81 HE2 TYR 81 1.975 8.269 10.192 672 HE2 TYR 81 HE1 TYR 81 4.900 6.814 12.982 673 HH TYR 81 HH TYR 81 3.406 8.395 13.451 674 HA PRO 82 HA PRO 82 8.699 3.141 6.045 675 HB2 PRO 82 1HB PRO 82 10.091 1.942 8.099 676 HB3 PRO 82 2HB PRO 82 10.424 3.586 7.522 677 HG2 PRO 82 1HG PRO 82 8.791 2.708 9.869 678 HG3 PRO 82 2HG PRO 82 9.994 4.010 9.760 679 HD2 PRO 82 1HD PRO 82 7.359 4.545 9.652 680 HD3 PRO 82 2HD PRO 82 8.522 5.464 8.672 681 H ALA 83 H ALA 83 8.901 0.884 5.552 682 HA ALA 83 HA ALA 83 6.601 -0.680 5.831 683 HB1 ALA 83 3HB ALA 83 9.356 -1.875 5.552 684 HB2 ALA 83 1HB ALA 83 8.580 -0.994 4.236 685 HB3 ALA 83 2HB ALA 83 7.839 -2.462 4.871 686 H TYR 84 H TYR 84 6.009 -2.392 7.175 687 HA TYR 84 HA TYR 84 7.128 -2.286 9.892 688 HB2 TYR 84 1HB TYR 84 4.700 -2.370 9.610 689 HB3 TYR 84 2HB TYR 84 4.835 -3.866 8.686 690 HD1 TYR 84 HD1 TYR 84 6.048 -2.473 11.957 691 HD2 TYR 84 HD2 TYR 84 4.406 -5.844 9.859 692 HE1 TYR 84 HE1 TYR 84 5.996 -3.763 14.070 693 HE2 TYR 84 HE2 TYR 84 4.353 -7.133 11.974 694 HH TYR 84 HH TYR 84 4.241 -6.294 14.641 695 H HIS 85 H HIS 85 8.338 -3.632 7.292 696 HA HIS 85 HA HIS 85 9.518 -5.875 8.778 697 HB2 HIS 85 1HB HIS 85 8.970 -7.561 7.082 698 HB3 HIS 85 2HB HIS 85 7.493 -6.893 7.774 699 HD1 HIS 85 HD1 HIS 85 6.345 -4.918 6.297 700 HD2 HIS 85 HD2 HIS 85 9.133 -7.309 4.325 701 HE1 HIS 85 HE1 HIS 85 5.953 -4.579 3.820 702 H MET 86 H MET 86 10.865 -7.142 6.777 703 HA MET 86 HA MET 86 13.012 -5.377 6.206 704 HB2 MET 86 1HB MET 86 12.235 -7.998 4.903 705 HB3 MET 86 2HB MET 86 13.783 -7.190 4.664 706 HG2 MET 86 1HG MET 86 12.698 -8.058 7.357 707 HG3 MET 86 2HG MET 86 13.880 -8.967 6.419 708 HE1 MET 86 3HE MET 86 17.039 -7.180 6.433 709 HE2 MET 86 1HE MET 86 15.934 -6.435 5.270 710 HE3 MET 86 2HE MET 86 15.884 -8.173 5.550 711 H ASN 87 H ASN 87 13.814 -5.403 3.713 712 HA ASN 87 HA ASN 87 13.585 -4.307 1.667 713 HB2 ASN 87 1HB ASN 87 10.813 -5.522 1.891 714 HB3 ASN 87 2HB ASN 87 11.417 -4.710 0.450 715 HD21 ASN 87 2HD2 ASN 87 14.234 -5.876 1.230 716 HD22 ASN 87 1HD2 ASN 87 14.156 -7.466 0.646 717 H LYS 88 H LYS 88 13.157 -2.828 4.075 718 HA LYS 88 HA LYS 88 10.885 -1.104 3.953 719 HB2 LYS 88 1HB LYS 88 12.416 -1.364 5.908 720 HB3 LYS 88 2HB LYS 88 13.655 -0.486 5.014 721 HG2 LYS 88 1HG LYS 88 12.128 1.460 4.832 722 HG3 LYS 88 2HG LYS 88 10.925 0.590 5.782 723 HD2 LYS 88 1HD LYS 88 13.734 1.205 6.751 724 HD3 LYS 88 2HD LYS 88 12.324 2.189 7.136 725 HE2 LYS 88 1HE LYS 88 11.288 -0.056 7.992 726 HE3 LYS 88 2HE LYS 88 12.956 -0.623 8.014 727 HZ1 LYS 88 3HZ LYS 88 12.294 1.954 9.254 728 HZ2 LYS 88 1HZ LYS 88 13.554 0.877 9.615 729 HZ3 LYS 88 2HZ LYS 88 11.964 0.513 10.093 730 H GLU 89 H GLU 89 14.157 -0.809 2.578 731 HA GLU 89 HA GLU 89 13.775 1.815 1.478 732 HB2 GLU 89 1HB GLU 89 15.646 -0.441 0.716 733 HB3 GLU 89 2HB GLU 89 15.739 1.182 0.032 734 HG2 GLU 89 1HG GLU 89 16.092 2.131 2.265 735 HG3 GLU 89 2HG GLU 89 15.920 0.533 2.989 736 H HIS 90 H HIS 90 13.396 -1.442 0.068 737 HA HIS 90 HA HIS 90 12.662 -0.478 -2.546 738 HB2 HIS 90 1HB HIS 90 12.283 -3.126 -1.139 739 HB3 HIS 90 2HB HIS 90 11.734 -2.848 -2.791 740 HD1 HIS 90 HD1 HIS 90 14.884 -2.987 -0.710 741 HD2 HIS 90 HD2 HIS 90 13.774 -2.815 -4.723 742 HE1 HIS 90 HE1 HIS 90 16.993 -3.388 -2.053 743 H TRP 91 H TRP 91 10.733 -1.671 0.219 744 HA TRP 91 HA TRP 91 8.294 -0.488 -1.077 745 HB2 TRP 91 1HB TRP 91 8.318 -2.673 1.008 746 HB3 TRP 91 2HB TRP 91 6.990 -2.185 -0.047 747 HD1 TRP 91 HD1 TRP 91 8.672 -2.030 -2.764 748 HE1 TRP 91 HE1 TRP 91 9.413 -4.210 -3.902 749 HE3 TRP 91 HE3 TRP 91 8.401 -5.225 1.208 750 HZ2 TRP 91 HZ2 TRP 91 9.839 -6.952 -3.225 751 HZ3 TRP 91 HZ3 TRP 91 8.981 -7.619 0.931 752 HH2 TRP 91 HH2 TRP 91 9.698 -8.485 -1.279 753 H ILE 92 H ILE 92 6.931 0.769 0.170 754 HA ILE 92 HA ILE 92 7.822 1.409 2.954 755 HB ILE 92 HB ILE 92 6.835 3.395 0.888 756 HG12 ILE 92 1HG1 ILE 92 9.210 2.411 0.566 757 HG13 ILE 92 2HG1 ILE 92 9.049 4.159 0.609 758 HG21 ILE 92 1HG2 ILE 92 7.715 3.617 3.765 759 HG22 ILE 92 2HG2 ILE 92 6.218 4.187 3.026 760 HG23 ILE 92 3HG2 ILE 92 7.741 5.005 2.681 761 HD11 ILE 92 3HD1 ILE 92 10.953 3.145 1.998 762 HD12 ILE 92 1HD1 ILE 92 9.707 2.581 3.101 763 HD13 ILE 92 2HD1 ILE 92 9.907 4.301 2.816 764 H THR 93 H THR 93 6.153 1.863 4.411 765 HA THR 93 HA THR 93 3.493 0.909 3.523 766 HB THR 93 HB THR 93 3.117 1.304 6.138 767 HG1 THR 93 HG1 THR 93 5.337 0.750 7.013 768 HG21 THR 93 3HG2 THR 93 4.596 -0.905 4.721 769 HG22 THR 93 1HG2 THR 93 2.967 -0.910 5.395 770 HG23 THR 93 2HG2 THR 93 4.365 -0.978 6.468 771 H VAL 94 H VAL 94 1.717 2.194 3.392 772 HA VAL 94 HA VAL 94 2.072 5.109 4.012 773 HB VAL 94 HB VAL 94 0.496 3.735 1.817 774 HG11 VAL 94 1HG1 VAL 94 0.528 6.595 2.795 775 HG12 VAL 94 2HG1 VAL 94 -0.867 5.551 2.520 776 HG13 VAL 94 3HG1 VAL 94 0.049 6.180 1.150 777 HG21 VAL 94 3HG2 VAL 94 2.950 5.503 1.897 778 HG22 VAL 94 1HG2 VAL 94 2.003 5.287 0.427 779 HG23 VAL 94 2HG2 VAL 94 2.785 3.900 1.185 780 H LEU 95 H LEU 95 0.612 5.987 5.363 781 HA LEU 95 HA LEU 95 -1.373 4.223 6.598 782 HB2 LEU 95 1HB LEU 95 0.038 5.826 7.905 783 HB3 LEU 95 2HB LEU 95 -0.803 7.152 7.109 784 HG LEU 95 HG LEU 95 -2.966 6.260 7.999 785 HD11 LEU 95 1HD1 LEU 95 -1.099 4.202 9.145 786 HD12 LEU 95 2HD1 LEU 95 -2.716 3.998 8.469 787 HD13 LEU 95 3HD1 LEU 95 -2.515 4.674 10.081 788 HD21 LEU 95 3HD2 LEU 95 -1.879 8.066 9.191 789 HD22 LEU 95 1HD2 LEU 95 -0.782 6.941 9.993 790 HD23 LEU 95 2HD2 LEU 95 -2.503 6.928 10.384 791 H LEU 96 H LEU 96 -3.150 3.910 5.324 792 HA LEU 96 HA LEU 96 -4.295 5.900 3.585 793 HB2 LEU 96 1HB LEU 96 -5.389 3.344 4.773 794 HB3 LEU 96 2HB LEU 96 -6.274 4.313 3.600 795 HG LEU 96 HG LEU 96 -3.479 3.235 3.124 796 HD11 LEU 96 1HD1 LEU 96 -4.819 1.293 3.300 797 HD12 LEU 96 2HD1 LEU 96 -4.759 1.626 1.571 798 HD13 LEU 96 3HD1 LEU 96 -6.191 2.061 2.502 799 HD21 LEU 96 3HD2 LEU 96 -5.498 4.747 1.472 800 HD22 LEU 96 1HD2 LEU 96 -4.427 3.607 0.665 801 HD23 LEU 96 2HD2 LEU 96 -3.749 4.954 1.565 802 H ASN 97 H ASN 97 -4.992 4.844 6.890 803 HA ASN 97 HA ASN 97 -7.330 6.490 7.223 804 HB2 ASN 97 1HB ASN 97 -6.822 4.558 8.682 805 HB3 ASN 97 2HB ASN 97 -5.404 5.405 9.299 806 HD21 ASN 97 2HD2 ASN 97 -8.900 5.194 9.492 807 HD22 ASN 97 1HD2 ASN 97 -9.094 6.351 10.721 808 H GLY 98 H GLY 98 -4.137 7.286 6.775 809 HA2 GLY 98 1HA GLY 98 -3.902 9.505 8.635 810 HA3 GLY 98 2HA GLY 98 -2.824 9.155 7.288 811 HA PRO 99 HA PRO 99 -5.409 12.838 6.101 812 HB2 PRO 99 1HB PRO 99 -3.389 14.599 5.668 813 HB3 PRO 99 2HB PRO 99 -4.018 14.279 7.297 814 HG2 PRO 99 1HG PRO 99 -1.537 13.253 5.992 815 HG3 PRO 99 2HG PRO 99 -1.798 13.768 7.670 816 HD2 PRO 99 1HD PRO 99 -1.783 11.119 6.826 817 HD3 PRO 99 2HD PRO 99 -2.569 11.684 8.314 818 H LEU 100 H LEU 100 -3.198 10.775 4.657 819 HA LEU 100 HA LEU 100 -2.595 11.974 2.184 820 HB2 LEU 100 1HB LEU 100 -2.989 9.136 3.091 821 HB3 LEU 100 2HB LEU 100 -2.764 9.455 1.373 822 HG LEU 100 HG LEU 100 -0.626 8.962 2.592 823 HD11 LEU 100 1HD1 LEU 100 0.576 10.398 1.262 824 HD12 LEU 100 2HD1 LEU 100 -0.309 11.822 1.796 825 HD13 LEU 100 3HD1 LEU 100 -1.005 10.756 0.580 826 HD21 LEU 100 3HD2 LEU 100 -1.025 11.662 3.898 827 HD22 LEU 100 1HD2 LEU 100 0.226 10.462 4.235 828 HD23 LEU 100 2HD2 LEU 100 -1.446 10.148 4.701 829 H GLY 101 H GLY 101 -3.811 12.636 0.548 830 HA2 GLY 101 1HA GLY 101 -6.698 12.108 0.565 831 HA3 GLY 101 2HA GLY 101 -5.846 13.207 -0.516 832 H ALA 102 H ALA 102 -7.810 11.411 -1.417 833 HA ALA 102 HA ALA 102 -6.773 8.968 -2.487 834 HB1 ALA 102 3HB ALA 102 -9.212 9.709 -2.320 835 HB2 ALA 102 1HB ALA 102 -8.748 8.947 -3.843 836 HB3 ALA 102 2HB ALA 102 -8.907 10.701 -3.747 837 H LYS 103 H LYS 103 -6.899 12.282 -3.752 838 HA LYS 103 HA LYS 103 -5.875 11.689 -6.362 839 HB2 LYS 103 1HB LYS 103 -5.723 14.203 -4.681 840 HB3 LYS 103 2HB LYS 103 -5.237 14.121 -6.375 841 HG2 LYS 103 1HG LYS 103 -7.543 13.309 -6.934 842 HG3 LYS 103 2HG LYS 103 -8.002 13.587 -5.257 843 HD2 LYS 103 1HD LYS 103 -6.928 15.693 -7.163 844 HD3 LYS 103 2HD LYS 103 -8.614 15.516 -6.681 845 HE2 LYS 103 1HE LYS 103 -6.268 16.443 -5.041 846 HE3 LYS 103 2HE LYS 103 -7.859 17.179 -5.215 847 HZ1 LYS 103 3HZ LYS 103 -7.109 14.782 -3.659 848 HZ2 LYS 103 1HZ LYS 103 -8.718 15.095 -4.089 849 HZ3 LYS 103 2HZ LYS 103 -7.870 16.199 -3.116 850 H GLU 104 H GLU 104 -4.288 12.578 -3.303 851 HA GLU 104 HA GLU 104 -1.625 12.704 -4.353 852 HB2 GLU 104 1HB GLU 104 -2.312 13.632 -2.142 853 HB3 GLU 104 2HB GLU 104 -2.530 11.984 -1.549 854 HG2 GLU 104 1HG GLU 104 -0.168 11.491 -1.981 855 HG3 GLU 104 2HG GLU 104 0.066 13.114 -2.627 856 H ILE 105 H ILE 105 -3.492 10.082 -2.833 857 HA ILE 105 HA ILE 105 -1.397 8.129 -2.889 858 HB ILE 105 HB ILE 105 -4.413 7.838 -2.927 859 HG12 ILE 105 1HG1 ILE 105 -2.436 7.378 -0.674 860 HG13 ILE 105 2HG1 ILE 105 -3.267 8.912 -0.924 861 HG21 ILE 105 1HG2 ILE 105 -3.823 5.486 -2.073 862 HG22 ILE 105 2HG2 ILE 105 -2.203 5.787 -2.702 863 HG23 ILE 105 3HG2 ILE 105 -3.586 5.783 -3.795 864 HD11 ILE 105 3HD1 ILE 105 -4.791 6.312 -0.716 865 HD12 ILE 105 1HD1 ILE 105 -5.398 7.956 -0.515 866 HD13 ILE 105 2HD1 ILE 105 -4.354 7.245 0.715 867 H HIS 106 H HIS 106 -3.984 8.929 -5.194 868 HA HIS 106 HA HIS 106 -3.480 6.874 -7.085 869 HB2 HIS 106 1HB HIS 106 -4.545 9.686 -7.384 870 HB3 HIS 106 2HB HIS 106 -4.463 8.555 -8.735 871 HD1 HIS 106 HD1 HIS 106 -6.988 9.731 -6.793 872 HD2 HIS 106 HD2 HIS 106 -5.578 5.839 -7.298 873 HE1 HIS 106 HE1 HIS 106 -8.882 8.189 -6.122 874 H SER 107 H SER 107 -2.043 10.106 -6.743 875 HA SER 107 HA SER 107 -0.437 10.041 -9.099 876 HB2 SER 107 1HB SER 107 0.142 11.371 -6.438 877 HB3 SER 107 2HB SER 107 0.919 11.761 -7.970 878 HG SER 107 HG SER 107 -1.527 12.487 -6.989 879 H LEU 108 H LEU 108 0.216 8.967 -5.773 880 HA LEU 108 HA LEU 108 2.923 8.141 -6.220 881 HB2 LEU 108 1HB LEU 108 0.840 7.245 -4.217 882 HB3 LEU 108 2HB LEU 108 2.520 6.720 -4.165 883 HG LEU 108 HG LEU 108 1.642 9.623 -4.135 884 HD11 LEU 108 1HD1 LEU 108 2.328 9.497 -1.699 885 HD12 LEU 108 2HD1 LEU 108 2.356 7.742 -1.871 886 HD13 LEU 108 3HD1 LEU 108 0.848 8.627 -2.101 887 HD21 LEU 108 3HD2 LEU 108 4.295 8.213 -4.041 888 HD22 LEU 108 1HD2 LEU 108 4.108 9.674 -3.074 889 HD23 LEU 108 2HD2 LEU 108 3.859 9.734 -4.814 890 H ILE 109 H ILE 109 -0.171 6.415 -6.453 891 HA ILE 109 HA ILE 109 0.932 3.833 -7.010 892 HB ILE 109 HB ILE 109 -1.722 5.083 -7.776 893 HG12 ILE 109 1HG1 ILE 109 -1.056 3.025 -5.650 894 HG13 ILE 109 2HG1 ILE 109 -1.151 4.756 -5.326 895 HG21 ILE 109 1HG2 ILE 109 -0.674 2.259 -8.075 896 HG22 ILE 109 2HG2 ILE 109 -1.387 3.290 -9.316 897 HG23 ILE 109 3HG2 ILE 109 -2.398 2.628 -8.033 898 HD11 ILE 109 3HD1 ILE 109 -3.477 4.821 -5.989 899 HD12 ILE 109 1HD1 ILE 109 -3.283 3.504 -4.833 900 HD13 ILE 109 2HD1 ILE 109 -3.410 3.153 -6.557 901 H GLU 110 H GLU 110 -0.074 6.504 -9.134 902 HA GLU 110 HA GLU 110 0.365 5.196 -11.619 903 HB2 GLU 110 1HB GLU 110 -0.736 7.452 -11.257 904 HB3 GLU 110 2HB GLU 110 0.879 8.124 -11.031 905 HG2 GLU 110 1HG GLU 110 0.308 8.468 -13.336 906 HG3 GLU 110 2HG GLU 110 1.487 7.155 -13.296 907 H ASP 111 H ASP 111 2.584 6.960 -9.475 908 HA ASP 111 HA ASP 111 4.867 6.876 -11.215 909 HB2 ASP 111 1HB ASP 111 4.452 7.229 -8.255 910 HB3 ASP 111 2HB ASP 111 6.089 6.997 -8.869 911 H SER 112 H SER 112 3.589 4.636 -8.790 912 HA SER 112 HA SER 112 5.789 2.821 -8.750 913 HB2 SER 112 1HB SER 112 3.938 2.764 -7.106 914 HB3 SER 112 2HB SER 112 2.837 2.236 -8.376 915 HG SER 112 HG SER 112 3.628 0.293 -8.222 916 H PHE 113 H PHE 113 2.902 2.983 -10.812 917 HA PHE 113 HA PHE 113 3.365 0.581 -12.278 918 HB2 PHE 113 1HB PHE 113 1.253 1.927 -12.354 919 HB3 PHE 113 2HB PHE 113 2.112 3.149 -13.294 920 HD1 PHE 113 HD2 PHE 113 1.219 -0.479 -13.267 921 HD2 PHE 113 HD1 PHE 113 2.340 2.923 -15.639 922 HE1 PHE 113 HE2 PHE 113 0.808 -1.785 -15.333 923 HE2 PHE 113 HE1 PHE 113 1.929 1.616 -17.706 924 HZ PHE 113 HZ PHE 113 1.164 -0.738 -17.554 925 H GLN 114 H GLN 114 4.424 3.934 -12.863 926 HA GLN 114 HA GLN 114 5.775 3.450 -15.327 927 HB2 GLN 114 1HB GLN 114 6.373 5.464 -13.139 928 HB3 GLN 114 2HB GLN 114 7.038 5.523 -14.771 929 HG2 GLN 114 1HG GLN 114 4.077 5.567 -14.127 930 HG3 GLN 114 2HG GLN 114 5.043 7.000 -14.483 931 HE21 GLN 114 2HE2 GLN 114 2.876 5.071 -15.969 932 HE22 GLN 114 1HE2 GLN 114 3.476 5.088 -17.556 933 H LEU 115 H LEU 115 6.882 3.327 -11.956 934 HA LEU 115 HA LEU 115 9.619 2.679 -12.520 935 HB2 LEU 115 1HB LEU 115 7.861 2.138 -10.116 936 HB3 LEU 115 2HB LEU 115 9.590 1.807 -10.143 937 HG LEU 115 HG LEU 115 8.369 4.523 -10.721 938 HD11 LEU 115 1HD1 LEU 115 7.888 4.051 -8.429 939 HD12 LEU 115 2HD1 LEU 115 9.319 5.080 -8.423 940 HD13 LEU 115 3HD1 LEU 115 9.482 3.343 -8.165 941 HD21 LEU 115 3HD2 LEU 115 10.883 5.095 -10.018 942 HD22 LEU 115 1HD2 LEU 115 10.489 4.639 -11.672 943 HD23 LEU 115 2HD2 LEU 115 11.175 3.448 -10.569 944 H THR 116 H THR 116 6.738 0.698 -11.988 945 HA THR 116 HA THR 116 8.306 -1.778 -12.526 946 HB THR 116 HB THR 116 6.279 -2.945 -11.747 947 HG1 THR 116 HG1 THR 116 4.590 -1.746 -12.259 948 HG21 THR 116 3HG2 THR 116 7.308 -0.677 -10.030 949 HG22 THR 116 1HG2 THR 116 7.794 -2.373 -9.990 950 HG23 THR 116 2HG2 THR 116 6.198 -1.897 -9.410 951 H ARG 117 H ARG 117 7.205 0.458 -14.424 952 HA ARG 117 HA ARG 117 5.194 -0.257 -16.108 953 HB2 ARG 117 1HB ARG 117 6.418 0.765 -17.948 954 HB3 ARG 117 2HB ARG 117 6.713 1.669 -16.467 955 HG2 ARG 117 1HG ARG 117 8.823 0.313 -16.162 956 HG3 ARG 117 2HG ARG 117 8.561 -0.335 -17.782 957 HD2 ARG 117 1HD ARG 117 8.818 2.612 -17.106 958 HD3 ARG 117 2HD ARG 117 10.096 1.624 -17.804 959 HE ARG 117 HE ARG 117 7.699 2.614 -19.203 960 HH11 ARG 117 1HH2 ARG 117 10.400 0.457 -19.124 961 HH12 ARG 117 2HH2 ARG 117 10.407 0.203 -20.837 962 HH21 ARG 117 1HH1 ARG 117 7.706 2.290 -21.430 963 HH22 ARG 117 2HH1 ARG 117 8.884 1.239 -22.142 964 H LEU 118 H LEU 118 4.797 -1.691 -17.778 965 HA LEU 118 HA LEU 118 6.178 -4.226 -17.665 966 HB2 LEU 118 1HB LEU 118 3.763 -4.104 -18.085 967 HB3 LEU 118 2HB LEU 118 4.050 -3.179 -19.557 968 HG LEU 118 HG LEU 118 5.297 -5.080 -20.506 969 HD11 LEU 118 1HD1 LEU 118 4.784 -6.237 -17.788 970 HD12 LEU 118 2HD1 LEU 118 6.249 -6.286 -18.764 971 HD13 LEU 118 3HD1 LEU 118 4.885 -7.322 -19.173 972 HD21 LEU 118 3HD2 LEU 118 2.995 -5.020 -21.088 973 HD22 LEU 118 1HD2 LEU 118 2.502 -5.602 -19.499 974 HD23 LEU 118 2HD2 LEU 118 3.320 -6.689 -20.623 975 H GLU 119 H GLU 119 7.561 -5.110 -19.182 976 HA GLU 119 HA GLU 119 8.312 -3.473 -21.556 977 HB2 GLU 119 1HB GLU 119 10.220 -4.615 -19.492 978 HB3 GLU 119 2HB GLU 119 10.725 -3.993 -21.066 979 HG2 GLU 119 1HG GLU 119 9.791 -1.794 -20.529 980 HG3 GLU 119 2HG GLU 119 9.200 -2.404 -18.983 981 H HIS 120 H HIS 120 6.815 -6.038 -20.916 982 HA HIS 120 HA HIS 120 8.091 -7.631 -23.046 983 HB2 HIS 120 1HB HIS 120 7.650 -8.705 -20.241 984 HB3 HIS 120 2HB HIS 120 7.940 -9.729 -21.647 985 HD1 HIS 120 HD1 HIS 120 10.229 -9.001 -23.046 986 HD2 HIS 120 HD2 HIS 120 10.001 -7.881 -19.038 987 HE1 HIS 120 HE1 HIS 120 12.595 -8.468 -22.316 988 H HIS 121 H HIS 121 6.276 -7.347 -24.327 989 HA HIS 121 HA HIS 121 3.596 -7.871 -23.236 990 HB2 HIS 121 1HB HIS 121 4.503 -7.254 -26.065 991 HB3 HIS 121 2HB HIS 121 2.831 -7.278 -25.499 992 HD1 HIS 121 HD1 HIS 121 2.305 -5.509 -23.480 993 HD2 HIS 121 HD2 HIS 121 5.764 -4.808 -25.699 994 HE1 HIS 121 HE1 HIS 121 2.979 -3.112 -23.019 995 H HIS 122 H HIS 122 3.000 -9.950 -22.996 996 HA HIS 122 HA HIS 122 4.208 -12.154 -24.415 997 HB2 HIS 122 1HB HIS 122 3.191 -12.336 -22.146 998 HB3 HIS 122 2HB HIS 122 1.602 -12.070 -22.865 999 HD1 HIS 122 HD1 HIS 122 4.551 -14.429 -23.464 1000 HD2 HIS 122 HD2 HIS 122 0.384 -14.455 -23.493 1001 HE1 HIS 122 HE1 HIS 122 3.853 -16.803 -24.002 1002 H HIS 123 H HIS 123 1.250 -10.275 -24.820 1003 HA HIS 123 HA HIS 123 -0.316 -10.203 -26.542 1004 HB2 HIS 123 1HB HIS 123 2.090 -11.251 -28.060 1005 HB3 HIS 123 2HB HIS 123 0.572 -10.823 -28.840 1006 HD1 HIS 123 HD1 HIS 123 -0.267 -8.260 -28.295 1007 HD2 HIS 123 HD2 HIS 123 3.771 -9.084 -27.662 1008 HE1 HIS 123 HE1 HIS 123 0.917 -6.023 -28.214 1009 H HIS 124 H HIS 124 -1.249 -12.007 -25.126 1010 HA HIS 124 HA HIS 124 -1.078 -14.750 -25.971 1011 HB2 HIS 124 1HB HIS 124 -1.907 -14.041 -23.736 1012 HB3 HIS 124 2HB HIS 124 -3.323 -13.328 -24.506 1013 HD1 HIS 124 HD1 HIS 124 -1.595 -16.723 -24.302 1014 HD2 HIS 124 HD2 HIS 124 -5.408 -15.118 -24.813 1015 HE1 HIS 124 HE1 HIS 124 -3.196 -18.684 -24.353 1016 H HIS 125 H HIS 125 -3.361 -12.121 -26.715 1017 HA HIS 125 HA HIS 125 -4.038 -13.434 -29.256 1018 HB2 HIS 125 1HB HIS 125 -6.455 -13.487 -28.818 1019 HB3 HIS 125 2HB HIS 125 -5.610 -14.487 -27.639 1020 HD1 HIS 125 HD1 HIS 125 -5.192 -13.333 -25.235 1021 HD2 HIS 125 HD2 HIS 125 -7.953 -11.419 -27.703 1022 HE1 HIS 125 HE1 HIS 125 -6.527 -11.778 -23.746 Start of MODEL 14 1 H1 MET 1 1H MET 1 -10.414 7.457 3.764 2 H2 MET 1 2H MET 1 -9.374 8.372 2.781 3 H3 MET 1 3H MET 1 -8.742 7.176 3.809 4 HA MET 1 HA MET 1 -10.457 6.739 1.427 5 HB2 MET 1 1HB MET 1 -8.041 7.274 1.017 6 HB3 MET 1 2HB MET 1 -7.604 5.892 2.020 7 HG2 MET 1 1HG MET 1 -7.556 5.190 -0.298 8 HG3 MET 1 2HG MET 1 -8.942 4.427 0.475 9 HE1 MET 1 3HE MET 1 -7.623 6.408 -2.343 10 HE2 MET 1 1HE MET 1 -9.062 6.415 -3.373 11 HE3 MET 1 2HE MET 1 -8.441 4.896 -2.729 12 H ASN 2 H ASN 2 -11.397 4.726 1.294 13 HA ASN 2 HA ASN 2 -11.070 2.925 3.661 14 HB2 ASN 2 1HB ASN 2 -13.307 3.279 1.658 15 HB3 ASN 2 2HB ASN 2 -13.242 1.930 2.792 16 HD21 ASN 2 2HD2 ASN 2 -15.325 3.918 2.902 17 HD22 ASN 2 1HD2 ASN 2 -15.149 4.784 4.352 18 H ARG 3 H ARG 3 -11.223 0.590 3.200 19 HA ARG 3 HA ARG 3 -9.239 -0.274 1.361 20 HB2 ARG 3 1HB ARG 3 -11.517 -1.995 2.379 21 HB3 ARG 3 2HB ARG 3 -9.884 -2.504 1.951 22 HG2 ARG 3 1HG ARG 3 -10.588 -0.676 4.258 23 HG3 ARG 3 2HG ARG 3 -10.190 -2.381 4.405 24 HD2 ARG 3 1HD ARG 3 -8.160 -1.296 4.866 25 HD3 ARG 3 2HD ARG 3 -8.011 -1.757 3.176 26 HE ARG 3 HE ARG 3 -8.048 0.537 2.598 27 HH11 ARG 3 1HH2 ARG 3 -9.133 -0.033 5.821 28 HH12 ARG 3 2HH2 ARG 3 -9.201 1.646 6.237 29 HH21 ARG 3 1HH1 ARG 3 -8.135 2.735 3.123 30 HH22 ARG 3 2HH1 ARG 3 -8.637 3.213 4.711 31 H GLN 4 H GLN 4 -12.801 -0.456 1.145 32 HA GLN 4 HA GLN 4 -13.168 -1.789 -1.240 33 HB2 GLN 4 1HB GLN 4 -14.988 -0.791 0.170 34 HB3 GLN 4 2HB GLN 4 -14.592 0.790 -0.503 35 HG2 GLN 4 1HG GLN 4 -16.462 -0.148 -1.747 36 HG3 GLN 4 2HG GLN 4 -15.043 -0.127 -2.792 37 HE21 GLN 4 2HE2 GLN 4 -15.414 -1.986 -4.077 38 HE22 GLN 4 1HE2 GLN 4 -15.608 -3.548 -3.441 39 H GLN 5 H GLN 5 -12.252 1.634 -0.905 40 HA GLN 5 HA GLN 5 -12.218 2.178 -3.726 41 HB2 GLN 5 1HB GLN 5 -10.676 3.480 -1.457 42 HB3 GLN 5 2HB GLN 5 -10.844 4.146 -3.083 43 HG2 GLN 5 1HG GLN 5 -13.169 3.506 -1.246 44 HG3 GLN 5 2HG GLN 5 -12.486 5.118 -1.463 45 HE21 GLN 5 2HE2 GLN 5 -15.102 3.443 -2.414 46 HE22 GLN 5 1HE2 GLN 5 -15.302 4.028 -3.994 47 H PHE 6 H PHE 6 -9.674 1.197 -1.425 48 HA PHE 6 HA PHE 6 -7.533 1.182 -3.326 49 HB2 PHE 6 1HB PHE 6 -7.284 1.054 -0.823 50 HB3 PHE 6 2HB PHE 6 -7.833 -0.619 -0.904 51 HD1 PHE 6 HD2 PHE 6 -5.354 1.641 -2.600 52 HD2 PHE 6 HD1 PHE 6 -6.183 -2.279 -1.044 53 HE1 PHE 6 HE2 PHE 6 -3.044 0.931 -3.154 54 HE2 PHE 6 HE1 PHE 6 -3.872 -2.983 -1.598 55 HZ PHE 6 HZ PHE 6 -2.303 -1.381 -2.651 56 H ILE 7 H ILE 7 -9.726 -1.418 -2.243 57 HA ILE 7 HA ILE 7 -8.606 -3.479 -3.892 58 HB ILE 7 HB ILE 7 -11.482 -3.196 -2.973 59 HG12 ILE 7 1HG1 ILE 7 -10.022 -2.964 -1.042 60 HG13 ILE 7 2HG1 ILE 7 -10.740 -4.565 -1.011 61 HG21 ILE 7 1HG2 ILE 7 -11.283 -5.743 -2.965 62 HG22 ILE 7 2HG2 ILE 7 -9.788 -5.530 -3.877 63 HG23 ILE 7 3HG2 ILE 7 -11.321 -4.970 -4.550 64 HD11 ILE 7 3HD1 ILE 7 -8.484 -4.983 -0.539 65 HD12 ILE 7 1HD1 ILE 7 -7.919 -3.774 -1.687 66 HD13 ILE 7 2HD1 ILE 7 -8.581 -5.300 -2.269 67 H ASP 8 H ASP 8 -11.323 -1.238 -4.428 68 HA ASP 8 HA ASP 8 -12.091 -2.236 -6.990 69 HB2 ASP 8 1HB ASP 8 -12.362 0.493 -5.708 70 HB3 ASP 8 2HB ASP 8 -13.069 0.097 -7.274 71 H TYR 9 H TYR 9 -9.797 0.301 -6.054 72 HA TYR 9 HA TYR 9 -9.172 1.242 -8.662 73 HB2 TYR 9 1HB TYR 9 -8.461 2.395 -6.590 74 HB3 TYR 9 2HB TYR 9 -7.375 1.058 -6.219 75 HD1 TYR 9 HD1 TYR 9 -5.463 0.539 -7.784 76 HD2 TYR 9 HD2 TYR 9 -7.853 4.089 -8.145 77 HE1 TYR 9 HE1 TYR 9 -3.704 1.580 -9.193 78 HE2 TYR 9 HE2 TYR 9 -6.098 5.129 -9.553 79 HH TYR 9 HH TYR 9 -3.582 4.850 -9.845 80 H ALA 10 H ALA 10 -7.676 -1.336 -6.714 81 HA ALA 10 HA ALA 10 -5.608 -1.979 -8.548 82 HB1 ALA 10 3HB ALA 10 -7.040 -3.790 -6.578 83 HB2 ALA 10 1HB ALA 10 -5.645 -2.766 -6.223 84 HB3 ALA 10 2HB ALA 10 -5.483 -4.137 -7.338 85 H GLN 11 H GLN 11 -8.972 -3.106 -8.343 86 HA GLN 11 HA GLN 11 -8.702 -5.147 -10.360 87 HB2 GLN 11 1HB GLN 11 -11.106 -3.598 -9.369 88 HB3 GLN 11 2HB GLN 11 -11.216 -4.916 -10.534 89 HG2 GLN 11 1HG GLN 11 -10.211 -6.466 -8.938 90 HG3 GLN 11 2HG GLN 11 -9.982 -5.161 -7.774 91 HE21 GLN 11 2HE2 GLN 11 -11.853 -7.735 -8.003 92 HE22 GLN 11 1HE2 GLN 11 -13.351 -7.131 -7.481 93 H LYS 12 H LYS 12 -9.450 -1.689 -10.487 94 HA LYS 12 HA LYS 12 -10.235 -1.637 -13.234 95 HB2 LYS 12 1HB LYS 12 -10.620 0.227 -11.620 96 HB3 LYS 12 2HB LYS 12 -8.890 0.542 -11.608 97 HG2 LYS 12 1HG LYS 12 -9.908 2.106 -13.139 98 HG3 LYS 12 2HG LYS 12 -9.014 0.933 -14.099 99 HD2 LYS 12 1HD LYS 12 -10.989 -0.185 -14.789 100 HD3 LYS 12 2HD LYS 12 -11.955 0.560 -13.514 101 HE2 LYS 12 1HE LYS 12 -12.460 1.633 -15.641 102 HE3 LYS 12 2HE LYS 12 -11.597 2.777 -14.614 103 HZ1 LYS 12 3HZ LYS 12 -9.539 2.153 -15.753 104 HZ2 LYS 12 1HZ LYS 12 -10.683 2.795 -16.828 105 HZ3 LYS 12 2HZ LYS 12 -10.415 1.118 -16.776 106 H LYS 13 H LYS 13 -7.086 -1.190 -11.652 107 HA LYS 13 HA LYS 13 -5.726 -0.884 -14.245 108 HB2 LYS 13 1HB LYS 13 -4.592 -1.050 -11.440 109 HB3 LYS 13 2HB LYS 13 -3.723 -0.537 -12.884 110 HG2 LYS 13 1HG LYS 13 -6.191 0.850 -11.797 111 HG3 LYS 13 2HG LYS 13 -4.539 1.377 -11.485 112 HD2 LYS 13 1HD LYS 13 -4.286 1.400 -14.076 113 HD3 LYS 13 2HD LYS 13 -6.050 1.366 -14.100 114 HE2 LYS 13 1HE LYS 13 -4.408 3.423 -12.599 115 HE3 LYS 13 2HE LYS 13 -5.129 3.683 -14.187 116 HZ1 LYS 13 3HZ LYS 13 -6.440 4.441 -12.164 117 HZ2 LYS 13 1HZ LYS 13 -6.752 2.798 -11.883 118 HZ3 LYS 13 2HZ LYS 13 -7.270 3.524 -13.329 119 H TYR 14 H TYR 14 -6.595 -3.540 -12.248 120 HA TYR 14 HA TYR 14 -4.703 -5.271 -13.800 121 HB2 TYR 14 1HB TYR 14 -5.150 -5.427 -10.807 122 HB3 TYR 14 2HB TYR 14 -4.192 -6.557 -11.760 123 HD1 TYR 14 HD2 TYR 14 -2.200 -5.640 -13.089 124 HD2 TYR 14 HD1 TYR 14 -4.201 -3.405 -10.015 125 HE1 TYR 14 HE2 TYR 14 -0.229 -4.147 -12.891 126 HE2 TYR 14 HE1 TYR 14 -2.230 -1.913 -9.816 127 HH TYR 14 HH TYR 14 -0.159 -1.506 -10.494 128 H ASP 15 H ASP 15 -7.795 -4.846 -12.278 129 HA ASP 15 HA ASP 15 -9.716 -6.200 -12.254 130 HB2 ASP 15 1HB ASP 15 -8.324 -7.229 -14.744 131 HB3 ASP 15 2HB ASP 15 -9.940 -7.736 -14.260 132 H THR 16 H THR 16 -7.311 -7.094 -10.767 133 HA THR 16 HA THR 16 -7.612 -10.069 -10.903 134 HB THR 16 HB THR 16 -5.302 -9.083 -10.979 135 HG1 THR 16 HG1 THR 16 -6.224 -10.800 -8.976 136 HG21 THR 16 3HG2 THR 16 -4.384 -7.982 -9.070 137 HG22 THR 16 1HG2 THR 16 -5.795 -8.371 -8.084 138 HG23 THR 16 2HG2 THR 16 -5.929 -7.189 -9.386 139 H LYS 17 H LYS 17 -7.953 -11.225 -8.890 140 HA LYS 17 HA LYS 17 -9.653 -9.690 -7.018 141 HB2 LYS 17 1HB LYS 17 -9.236 -12.677 -7.082 142 HB3 LYS 17 2HB LYS 17 -10.581 -11.787 -6.367 143 HG2 LYS 17 1HG LYS 17 -11.055 -10.895 -8.718 144 HG3 LYS 17 2HG LYS 17 -9.933 -12.125 -9.300 145 HD2 LYS 17 1HD LYS 17 -11.306 -13.863 -8.145 146 HD3 LYS 17 2HD LYS 17 -12.466 -12.606 -7.707 147 HE2 LYS 17 1HE LYS 17 -12.746 -12.073 -10.127 148 HE3 LYS 17 2HE LYS 17 -11.674 -13.416 -10.519 149 HZ1 LYS 17 3HZ LYS 17 -13.629 -14.511 -10.605 150 HZ2 LYS 17 1HZ LYS 17 -14.415 -13.450 -9.540 151 HZ3 LYS 17 2HZ LYS 17 -13.379 -14.650 -8.930 152 HA PRO 18 HA PRO 18 -6.416 -9.503 -3.878 153 HB2 PRO 18 1HB PRO 18 -8.642 -10.194 -1.982 154 HB3 PRO 18 2HB PRO 18 -7.446 -8.887 -1.883 155 HG2 PRO 18 1HG PRO 18 -9.964 -8.410 -2.606 156 HG3 PRO 18 2HG PRO 18 -8.608 -7.536 -3.341 157 HD2 PRO 18 1HD PRO 18 -10.309 -9.691 -4.519 158 HD3 PRO 18 2HD PRO 18 -9.464 -8.340 -5.309 159 H ASP 19 H ASP 19 -5.066 -10.993 -2.887 160 HA ASP 19 HA ASP 19 -6.076 -13.801 -2.517 161 HB2 ASP 19 1HB ASP 19 -4.619 -13.628 -4.515 162 HB3 ASP 19 2HB ASP 19 -3.345 -12.926 -3.516 163 H HIS 20 H HIS 20 -5.909 -14.377 -0.404 164 HA HIS 20 HA HIS 20 -4.205 -12.784 1.394 165 HB2 HIS 20 1HB HIS 20 -5.273 -14.363 3.142 166 HB3 HIS 20 2HB HIS 20 -6.333 -13.222 2.317 167 HD1 HIS 20 HD1 HIS 20 -5.186 -16.092 0.282 168 HD2 HIS 20 HD2 HIS 20 -8.464 -15.182 2.693 169 HE1 HIS 20 HE1 HIS 20 -6.963 -17.823 -0.238 170 HA PRO 21 HA PRO 21 -0.947 -15.850 1.384 171 HB2 PRO 21 1HB PRO 21 0.276 -15.286 3.776 172 HB3 PRO 21 2HB PRO 21 0.417 -14.239 2.350 173 HG2 PRO 21 1HG PRO 21 -1.335 -13.931 4.750 174 HG3 PRO 21 2HG PRO 21 -0.429 -12.704 3.851 175 HD2 PRO 21 1HD PRO 21 -3.125 -13.108 3.517 176 HD3 PRO 21 2HD PRO 21 -2.070 -12.482 2.232 177 H TRP 22 H TRP 22 -1.554 -15.682 4.866 178 HA TRP 22 HA TRP 22 -1.904 -18.603 4.957 179 HB2 TRP 22 1HB TRP 22 -1.818 -16.504 7.149 180 HB3 TRP 22 2HB TRP 22 -1.892 -18.246 7.422 181 HD1 TRP 22 HD1 TRP 22 0.203 -19.696 6.348 182 HE1 TRP 22 HE1 TRP 22 2.692 -19.048 6.170 183 HE3 TRP 22 HE3 TRP 22 -0.159 -14.631 6.901 184 HZ2 TRP 22 HZ2 TRP 22 4.315 -16.694 6.251 185 HZ3 TRP 22 HZ3 TRP 22 1.872 -13.211 6.846 186 HH2 TRP 22 HH2 TRP 22 4.107 -14.235 6.522 187 H GLU 23 H GLU 23 -3.830 -19.616 5.354 188 HA GLU 23 HA GLU 23 -6.298 -18.279 4.867 189 HB2 GLU 23 1HB GLU 23 -7.344 -20.389 5.576 190 HB3 GLU 23 2HB GLU 23 -5.952 -20.711 4.542 191 HG2 GLU 23 1HG GLU 23 -4.557 -21.034 6.596 192 HG3 GLU 23 2HG GLU 23 -6.012 -20.847 7.574 193 H LYS 24 H LYS 24 -4.413 -18.614 7.735 194 HA LYS 24 HA LYS 24 -6.599 -18.226 9.616 195 HB2 LYS 24 1HB LYS 24 -3.591 -17.945 9.907 196 HB3 LYS 24 2HB LYS 24 -4.734 -17.840 11.248 197 HG2 LYS 24 1HG LYS 24 -5.514 -20.111 10.818 198 HG3 LYS 24 2HG LYS 24 -4.488 -20.223 9.391 199 HD2 LYS 24 1HD LYS 24 -3.368 -21.354 11.222 200 HD3 LYS 24 2HD LYS 24 -2.487 -19.872 10.857 201 HE2 LYS 24 1HE LYS 24 -4.649 -19.785 12.949 202 HE3 LYS 24 2HE LYS 24 -3.083 -20.480 13.364 203 HZ1 LYS 24 3HZ LYS 24 -3.688 -17.840 13.384 204 HZ2 LYS 24 1HZ LYS 24 -2.871 -18.019 11.909 205 HZ3 LYS 24 2HZ LYS 24 -2.121 -18.494 13.356 206 H PHE 25 H PHE 25 -5.137 -16.198 7.404 207 HA PHE 25 HA PHE 25 -5.947 -13.760 8.958 208 HB2 PHE 25 1HB PHE 25 -3.475 -14.235 7.288 209 HB3 PHE 25 2HB PHE 25 -4.074 -12.610 7.629 210 HD1 PHE 25 HD1 PHE 25 -2.793 -15.736 9.167 211 HD2 PHE 25 HD2 PHE 25 -3.868 -11.629 9.811 212 HE1 PHE 25 HE1 PHE 25 -1.750 -15.814 11.415 213 HE2 PHE 25 HE2 PHE 25 -2.821 -11.705 12.057 214 HZ PHE 25 HZ PHE 25 -1.763 -13.799 12.860 215 HA PRO 26 HA PRO 26 -8.050 -14.138 4.773 216 HB2 PRO 26 1HB PRO 26 -10.607 -13.649 5.688 217 HB3 PRO 26 2HB PRO 26 -9.892 -15.269 5.589 218 HG2 PRO 26 1HG PRO 26 -10.189 -13.477 7.955 219 HG3 PRO 26 2HG PRO 26 -10.394 -15.235 7.839 220 HD2 PRO 26 1HD PRO 26 -8.150 -14.081 8.872 221 HD3 PRO 26 2HD PRO 26 -8.114 -15.649 8.038 222 H ASP 27 H ASP 27 -7.917 -11.773 7.293 223 HA ASP 27 HA ASP 27 -9.203 -9.639 5.762 224 HB2 ASP 27 1HB ASP 27 -9.120 -9.738 8.286 225 HB3 ASP 27 2HB ASP 27 -7.393 -9.396 8.182 226 H TYR 28 H TYR 28 -6.261 -11.192 5.525 227 HA TYR 28 HA TYR 28 -4.693 -8.803 4.765 228 HB2 TYR 28 1HB TYR 28 -4.101 -11.734 5.126 229 HB3 TYR 28 2HB TYR 28 -2.991 -10.741 4.180 230 HD1 TYR 28 HD1 TYR 28 -5.006 -10.107 7.303 231 HD2 TYR 28 HD2 TYR 28 -1.120 -10.169 5.466 232 HE1 TYR 28 HE1 TYR 28 -4.012 -9.214 9.379 233 HE2 TYR 28 HE2 TYR 28 -0.127 -9.279 7.555 234 HH TYR 28 HH TYR 28 -2.151 -8.636 10.421 235 H ALA 29 H ALA 29 -4.147 -8.274 2.676 236 HA ALA 29 HA ALA 29 -5.226 -10.003 0.470 237 HB1 ALA 29 3HB ALA 29 -6.793 -8.197 0.652 238 HB2 ALA 29 1HB ALA 29 -5.743 -7.803 -0.709 239 HB3 ALA 29 2HB ALA 29 -5.502 -7.011 0.847 240 H VAL 30 H VAL 30 -3.741 -10.397 -1.079 241 HA VAL 30 HA VAL 30 -1.347 -8.593 -1.297 242 HB VAL 30 HB VAL 30 -1.445 -11.626 -1.381 243 HG11 VAL 30 1HG1 VAL 30 0.710 -9.646 -2.136 244 HG12 VAL 30 2HG1 VAL 30 0.097 -11.005 -3.077 245 HG13 VAL 30 3HG1 VAL 30 1.096 -11.299 -1.655 246 HG21 VAL 30 3HG2 VAL 30 -1.412 -10.648 0.880 247 HG22 VAL 30 1HG2 VAL 30 -0.014 -9.670 0.441 248 HG23 VAL 30 2HG2 VAL 30 0.129 -11.424 0.518 249 H PHE 31 H PHE 31 -0.992 -7.921 -3.355 250 HA PHE 31 HA PHE 31 -2.636 -9.128 -5.542 251 HB2 PHE 31 1HB PHE 31 -1.175 -6.475 -5.397 252 HB3 PHE 31 2HB PHE 31 -2.186 -7.020 -6.736 253 HD1 PHE 31 HD2 PHE 31 -2.176 -6.063 -3.159 254 HD2 PHE 31 HD1 PHE 31 -4.583 -6.996 -6.590 255 HE1 PHE 31 HE2 PHE 31 -4.193 -5.262 -1.962 256 HE2 PHE 31 HE1 PHE 31 -6.601 -6.195 -5.393 257 HZ PHE 31 HZ PHE 31 -6.402 -5.326 -3.078 258 H ARG 32 H ARG 32 -1.630 -9.772 -7.492 259 HA ARG 32 HA ARG 32 1.359 -9.772 -7.526 260 HB2 ARG 32 1HB ARG 32 1.304 -12.098 -8.404 261 HB3 ARG 32 2HB ARG 32 0.701 -11.989 -6.748 262 HG2 ARG 32 1HG ARG 32 -1.621 -11.957 -7.606 263 HG3 ARG 32 2HG ARG 32 -1.008 -12.093 -9.254 264 HD2 ARG 32 1HD ARG 32 0.075 -14.244 -8.658 265 HD3 ARG 32 2HD ARG 32 -0.595 -14.117 -7.032 266 HE ARG 32 HE ARG 32 -2.642 -13.953 -9.097 267 HH11 ARG 32 1HH2 ARG 32 -0.634 -15.998 -7.178 268 HH12 ARG 32 2HH2 ARG 32 -1.700 -17.359 -7.274 269 HH21 ARG 32 1HH1 ARG 32 -4.046 -15.723 -9.232 270 HH22 ARG 32 2HH1 ARG 32 -3.630 -17.203 -8.435 271 H HIS 33 H HIS 33 2.247 -9.429 -9.512 272 HA HIS 33 HA HIS 33 0.356 -8.799 -11.730 273 HB2 HIS 33 1HB HIS 33 3.241 -8.052 -11.219 274 HB3 HIS 33 2HB HIS 33 2.388 -7.666 -12.713 275 HD1 HIS 33 HD1 HIS 33 3.366 -5.838 -10.024 276 HD2 HIS 33 HD2 HIS 33 -0.456 -6.606 -11.503 277 HE1 HIS 33 HE1 HIS 33 1.874 -3.987 -9.149 278 H SER 34 H SER 34 0.298 -10.055 -13.514 279 HA SER 34 HA SER 34 1.995 -12.460 -13.607 280 HB2 SER 34 1HB SER 34 -0.284 -11.492 -15.352 281 HB3 SER 34 2HB SER 34 0.545 -13.031 -15.570 282 HG SER 34 HG SER 34 -1.312 -12.256 -13.701 283 H ASP 35 H ASP 35 1.621 -9.432 -15.389 284 HA ASP 35 HA ASP 35 3.516 -10.328 -17.476 285 HB2 ASP 35 1HB ASP 35 3.060 -8.049 -18.426 286 HB3 ASP 35 2HB ASP 35 1.618 -9.046 -18.225 287 H ASN 36 H ASN 36 3.894 -9.054 -14.406 288 HA ASN 36 HA ASN 36 6.422 -7.622 -15.202 289 HB2 ASN 36 1HB ASN 36 4.642 -6.193 -14.133 290 HB3 ASN 36 2HB ASN 36 4.818 -7.175 -12.678 291 HD21 ASN 36 2HD2 ASN 36 7.025 -5.494 -15.003 292 HD22 ASN 36 1HD2 ASN 36 8.042 -4.864 -13.799 293 H ASP 37 H ASP 37 6.002 -10.519 -14.634 294 HA ASP 37 HA ASP 37 6.847 -12.234 -13.230 295 HB2 ASP 37 1HB ASP 37 9.145 -10.308 -13.629 296 HB3 ASP 37 2HB ASP 37 9.346 -11.899 -12.896 297 H LYS 38 H LYS 38 8.902 -9.779 -11.781 298 HA LYS 38 HA LYS 38 8.159 -10.654 -9.108 299 HB2 LYS 38 1HB LYS 38 9.783 -8.928 -8.374 300 HB3 LYS 38 2HB LYS 38 10.457 -9.987 -9.611 301 HG2 LYS 38 1HG LYS 38 9.993 -8.309 -11.341 302 HG3 LYS 38 2HG LYS 38 9.239 -7.258 -10.149 303 HD2 LYS 38 1HD LYS 38 11.451 -6.421 -10.405 304 HD3 LYS 38 2HD LYS 38 11.453 -7.307 -8.883 305 HE2 LYS 38 1HE LYS 38 12.596 -9.161 -9.841 306 HE3 LYS 38 2HE LYS 38 12.280 -8.609 -11.486 307 HZ1 LYS 38 3HZ LYS 38 14.574 -8.190 -10.384 308 HZ2 LYS 38 1HZ LYS 38 13.783 -6.881 -9.652 309 HZ3 LYS 38 2HZ LYS 38 13.861 -6.985 -11.346 310 H TRP 39 H TRP 39 7.321 -9.213 -7.443 311 HA TRP 39 HA TRP 39 6.246 -6.626 -7.978 312 HB2 TRP 39 1HB TRP 39 3.770 -7.405 -7.855 313 HB3 TRP 39 2HB TRP 39 4.606 -7.555 -9.400 314 HD1 TRP 39 HD1 TRP 39 4.762 -9.875 -10.437 315 HE1 TRP 39 HE1 TRP 39 4.170 -12.265 -9.690 316 HE3 TRP 39 HE3 TRP 39 3.608 -9.016 -5.527 317 HZ2 TRP 39 HZ2 TRP 39 3.323 -13.635 -7.335 318 HZ3 TRP 39 HZ3 TRP 39 2.915 -10.887 -4.063 319 HH2 TRP 39 HH2 TRP 39 2.766 -13.192 -4.960 320 H TYR 40 H TYR 40 5.162 -5.765 -6.090 321 HA TYR 40 HA TYR 40 4.781 -7.591 -3.795 322 HB2 TYR 40 1HB TYR 40 6.721 -5.260 -3.731 323 HB3 TYR 40 2HB TYR 40 6.187 -6.164 -2.314 324 HD1 TYR 40 HD1 TYR 40 6.642 -8.654 -2.199 325 HD2 TYR 40 HD2 TYR 40 8.447 -6.099 -5.142 326 HE1 TYR 40 HE1 TYR 40 8.368 -10.380 -2.637 327 HE2 TYR 40 HE2 TYR 40 10.174 -7.825 -5.579 328 HH TYR 40 HH TYR 40 10.499 -10.202 -5.328 329 H ALA 41 H ALA 41 2.854 -7.051 -3.042 330 HA ALA 41 HA ALA 41 2.196 -4.288 -2.378 331 HB1 ALA 41 3HB ALA 41 0.903 -5.721 -4.679 332 HB2 ALA 41 1HB ALA 41 1.315 -4.015 -4.523 333 HB3 ALA 41 2HB ALA 41 -0.093 -4.661 -3.681 334 H LEU 42 H LEU 42 1.173 -4.467 -0.408 335 HA LEU 42 HA LEU 42 -0.709 -6.707 0.016 336 HB2 LEU 42 1HB LEU 42 0.441 -7.299 2.185 337 HB3 LEU 42 2HB LEU 42 1.302 -7.784 0.730 338 HG LEU 42 HG LEU 42 1.939 -5.082 1.895 339 HD11 LEU 42 1HD1 LEU 42 1.934 -6.611 3.849 340 HD12 LEU 42 2HD1 LEU 42 3.558 -6.052 3.450 341 HD13 LEU 42 3HD1 LEU 42 3.051 -7.678 2.997 342 HD21 LEU 42 3HD2 LEU 42 3.525 -7.270 0.503 343 HD22 LEU 42 1HD2 LEU 42 4.251 -5.805 1.154 344 HD23 LEU 42 2HD2 LEU 42 3.083 -5.698 -0.155 345 H LEU 43 H LEU 43 -2.243 -6.268 1.534 346 HA LEU 43 HA LEU 43 -2.077 -3.631 2.954 347 HB2 LEU 43 1HB LEU 43 -3.731 -3.741 1.041 348 HB3 LEU 43 2HB LEU 43 -4.586 -4.997 1.922 349 HG LEU 43 HG LEU 43 -3.975 -2.370 3.297 350 HD11 LEU 43 1HD1 LEU 43 -5.129 -1.973 1.027 351 HD12 LEU 43 2HD1 LEU 43 -5.906 -1.307 2.453 352 HD13 LEU 43 3HD1 LEU 43 -6.520 -2.794 1.731 353 HD21 LEU 43 3HD2 LEU 43 -4.905 -3.869 4.837 354 HD22 LEU 43 1HD2 LEU 43 -5.954 -4.625 3.641 355 HD23 LEU 43 2HD2 LEU 43 -6.339 -3.027 4.266 356 H MET 44 H MET 44 -2.142 -3.882 5.133 357 HA MET 44 HA MET 44 -3.766 -6.021 6.332 358 HB2 MET 44 1HB MET 44 -1.633 -6.767 7.663 359 HB3 MET 44 2HB MET 44 -1.887 -7.390 6.035 360 HG2 MET 44 1HG MET 44 -0.368 -5.768 5.094 361 HG3 MET 44 2HG MET 44 -0.225 -4.934 6.642 362 HE1 MET 44 3HE MET 44 3.205 -6.385 5.940 363 HE2 MET 44 1HE MET 44 2.631 -5.363 7.263 364 HE3 MET 44 2HE MET 44 2.050 -5.094 5.620 365 H ASP 45 H ASP 45 -3.783 -5.844 8.711 366 HA ASP 45 HA ASP 45 -3.466 -3.011 9.560 367 HB2 ASP 45 1HB ASP 45 -4.991 -5.368 10.689 368 HB3 ASP 45 2HB ASP 45 -4.811 -3.848 11.564 369 H ILE 46 H ILE 46 -1.563 -2.551 10.549 370 HA ILE 46 HA ILE 46 -0.353 -4.630 12.334 371 HB ILE 46 HB ILE 46 1.852 -3.549 11.807 372 HG12 ILE 46 1HG1 ILE 46 0.364 -2.301 9.483 373 HG13 ILE 46 2HG1 ILE 46 0.726 -1.405 10.958 374 HG21 ILE 46 1HG2 ILE 46 0.303 -4.684 9.458 375 HG22 ILE 46 2HG2 ILE 46 1.089 -5.634 10.718 376 HG23 ILE 46 3HG2 ILE 46 2.060 -4.655 9.619 377 HD11 ILE 46 3HD1 ILE 46 3.156 -2.020 10.638 378 HD12 ILE 46 1HD1 ILE 46 2.507 -0.965 9.383 379 HD13 ILE 46 2HD1 ILE 46 2.717 -2.686 9.066 380 HA PRO 47 HA PRO 47 -0.862 -1.886 15.801 381 HB2 PRO 47 1HB PRO 47 2.063 -2.311 16.311 382 HB3 PRO 47 2HB PRO 47 0.691 -2.465 17.427 383 HG2 PRO 47 1HG PRO 47 1.931 -4.597 16.334 384 HG3 PRO 47 2HG PRO 47 0.206 -4.594 16.737 385 HD2 PRO 47 1HD PRO 47 1.488 -4.548 14.064 386 HD3 PRO 47 2HD PRO 47 -0.163 -5.016 14.522 387 H ALA 48 H ALA 48 -0.757 0.319 15.985 388 HA ALA 48 HA ALA 48 0.674 1.905 14.060 389 HB1 ALA 48 3HB ALA 48 -1.458 2.633 15.069 390 HB2 ALA 48 1HB ALA 48 -0.190 3.831 15.329 391 HB3 ALA 48 2HB ALA 48 -0.670 2.756 16.642 392 H GLU 49 H GLU 49 1.433 0.784 17.274 393 HA GLU 49 HA GLU 49 3.468 2.733 17.873 394 HB2 GLU 49 1HB GLU 49 4.166 1.122 19.625 395 HB3 GLU 49 2HB GLU 49 2.428 1.406 19.636 396 HG2 GLU 49 1HG GLU 49 2.340 -0.899 19.681 397 HG3 GLU 49 2HG GLU 49 2.503 -0.718 17.941 398 H LYS 50 H LYS 50 3.417 -0.007 15.778 399 HA LYS 50 HA LYS 50 6.323 -0.445 15.873 400 HB2 LYS 50 1HB LYS 50 4.087 -1.582 14.187 401 HB3 LYS 50 2HB LYS 50 5.782 -1.962 13.878 402 HG2 LYS 50 1HG LYS 50 6.038 -2.839 16.144 403 HG3 LYS 50 2HG LYS 50 4.387 -2.369 16.539 404 HD2 LYS 50 1HD LYS 50 4.253 -4.687 16.024 405 HD3 LYS 50 2HD LYS 50 3.650 -3.859 14.590 406 HE2 LYS 50 1HE LYS 50 5.691 -4.215 13.403 407 HE3 LYS 50 2HE LYS 50 6.546 -4.695 14.868 408 HZ1 LYS 50 3HZ LYS 50 4.322 -6.347 14.601 409 HZ2 LYS 50 1HZ LYS 50 5.958 -6.770 14.467 410 HZ3 LYS 50 2HZ LYS 50 5.089 -6.296 13.087 411 H ILE 51 H ILE 51 4.250 1.724 14.238 412 HA ILE 51 HA ILE 51 6.235 2.117 12.031 413 HB ILE 51 HB ILE 51 4.379 3.668 11.135 414 HG12 ILE 51 1HG1 ILE 51 2.820 2.120 13.228 415 HG13 ILE 51 2HG1 ILE 51 3.099 3.861 13.229 416 HG21 ILE 51 1HG2 ILE 51 4.917 1.363 10.283 417 HG22 ILE 51 2HG2 ILE 51 3.217 1.790 10.111 418 HG23 ILE 51 3HG2 ILE 51 3.727 0.716 11.413 419 HD11 ILE 51 3HD1 ILE 51 1.524 2.264 11.189 420 HD12 ILE 51 1HD1 ILE 51 1.938 3.966 10.993 421 HD13 ILE 51 2HD1 ILE 51 0.891 3.458 12.317 422 H GLY 52 H GLY 52 5.915 3.129 15.067 423 HA2 GLY 52 1HA GLY 52 7.267 4.876 16.012 424 HA3 GLY 52 2HA GLY 52 7.241 5.715 14.463 425 H ILE 53 H ILE 53 4.112 4.860 14.890 426 HA ILE 53 HA ILE 53 3.396 7.557 15.768 427 HB ILE 53 HB ILE 53 1.732 5.155 14.987 428 HG12 ILE 53 1HG1 ILE 53 2.234 7.835 13.653 429 HG13 ILE 53 2HG1 ILE 53 3.051 6.336 13.222 430 HG21 ILE 53 1HG2 ILE 53 0.399 6.404 16.567 431 HG22 ILE 53 2HG2 ILE 53 -0.165 6.842 14.957 432 HG23 ILE 53 3HG2 ILE 53 0.890 7.939 15.848 433 HD11 ILE 53 3HD1 ILE 53 1.362 6.106 11.717 434 HD12 ILE 53 1HD1 ILE 53 0.327 7.252 12.563 435 HD13 ILE 53 2HD1 ILE 53 0.403 5.575 13.099 436 H ASN 54 H ASN 54 2.680 8.159 17.747 437 HA ASN 54 HA ASN 54 3.105 6.364 19.981 438 HB2 ASN 54 1HB ASN 54 1.984 9.165 19.748 439 HB3 ASN 54 2HB ASN 54 2.153 8.331 21.293 440 HD21 ASN 54 2HD2 ASN 54 3.642 10.719 20.698 441 HD22 ASN 54 1HD2 ASN 54 5.286 10.306 20.598 442 H GLY 55 H GLY 55 1.601 4.655 19.748 443 HA2 GLY 55 1HA GLY 55 -0.893 4.960 21.035 444 HA3 GLY 55 2HA GLY 55 -1.200 5.015 19.299 445 H ASP 56 H ASP 56 -1.710 2.938 21.517 446 HA ASP 56 HA ASP 56 -0.181 0.614 20.503 447 HB2 ASP 56 1HB ASP 56 -1.508 -0.632 22.228 448 HB3 ASP 56 2HB ASP 56 -0.607 0.721 22.913 449 H LYS 57 H LYS 57 -2.670 2.351 19.369 450 HA LYS 57 HA LYS 57 -4.567 0.223 18.741 451 HB2 LYS 57 1HB LYS 57 -5.714 1.960 17.423 452 HB3 LYS 57 2HB LYS 57 -5.320 2.555 19.036 453 HG2 LYS 57 1HG LYS 57 -3.266 3.624 18.098 454 HG3 LYS 57 2HG LYS 57 -3.769 3.111 16.487 455 HD2 LYS 57 1HD LYS 57 -5.852 4.396 16.708 456 HD3 LYS 57 2HD LYS 57 -5.390 4.885 18.337 457 HE2 LYS 57 1HE LYS 57 -4.859 6.676 16.753 458 HE3 LYS 57 2HE LYS 57 -3.369 5.996 17.406 459 HZ1 LYS 57 3HZ LYS 57 -2.995 4.786 15.446 460 HZ2 LYS 57 1HZ LYS 57 -3.449 6.336 14.927 461 HZ3 LYS 57 2HZ LYS 57 -4.568 5.058 14.866 462 H ARG 58 H ARG 58 -4.985 -0.577 16.614 463 HA ARG 58 HA ARG 58 -2.562 -0.667 14.894 464 HB2 ARG 58 1HB ARG 58 -3.716 -2.596 13.821 465 HB3 ARG 58 2HB ARG 58 -3.504 -2.828 15.557 466 HG2 ARG 58 1HG ARG 58 -5.809 -2.068 15.951 467 HG3 ARG 58 2HG ARG 58 -6.033 -1.820 14.219 468 HD2 ARG 58 1HD ARG 58 -5.593 -4.228 13.830 469 HD3 ARG 58 2HD ARG 58 -5.419 -4.466 15.569 470 HE ARG 58 HE ARG 58 -7.937 -3.251 15.158 471 HH11 ARG 58 1HH2 ARG 58 -6.216 -6.125 14.347 472 HH12 ARG 58 2HH2 ARG 58 -7.633 -7.118 14.289 473 HH21 ARG 58 1HH1 ARG 58 -9.802 -4.534 15.087 474 HH22 ARG 58 2HH1 ARG 58 -9.662 -6.219 14.708 475 H VAL 59 H VAL 59 -2.677 -0.234 12.666 476 HA VAL 59 HA VAL 59 -5.151 1.155 11.707 477 HB VAL 59 HB VAL 59 -3.680 2.796 10.562 478 HG11 VAL 59 1HG1 VAL 59 -3.096 4.066 12.631 479 HG12 VAL 59 2HG1 VAL 59 -3.406 2.609 13.577 480 HG13 VAL 59 3HG1 VAL 59 -4.721 3.382 12.692 481 HG21 VAL 59 3HG2 VAL 59 -1.574 1.726 10.380 482 HG22 VAL 59 1HG2 VAL 59 -1.557 1.264 12.079 483 HG23 VAL 59 2HG2 VAL 59 -1.303 2.944 11.622 484 H ASP 60 H ASP 60 -5.224 1.302 9.317 485 HA ASP 60 HA ASP 60 -4.236 -1.234 8.138 486 HB2 ASP 60 1HB ASP 60 -6.644 -0.278 7.949 487 HB3 ASP 60 2HB ASP 60 -5.962 0.825 6.754 488 H VAL 61 H VAL 61 -2.503 -1.285 6.762 489 HA VAL 61 HA VAL 61 -1.628 1.277 5.475 490 HB VAL 61 HB VAL 61 0.712 0.634 5.890 491 HG11 VAL 61 1HG1 VAL 61 0.707 0.982 8.352 492 HG12 VAL 61 2HG1 VAL 61 -1.030 0.674 8.368 493 HG13 VAL 61 3HG1 VAL 61 -0.391 2.080 7.521 494 HG21 VAL 61 3HG2 VAL 61 0.474 -1.788 5.975 495 HG22 VAL 61 1HG2 VAL 61 -0.562 -1.671 7.396 496 HG23 VAL 61 2HG2 VAL 61 1.142 -1.236 7.509 497 H ILE 62 H ILE 62 -0.301 0.969 3.577 498 HA ILE 62 HA ILE 62 -0.585 -1.721 2.275 499 HB ILE 62 HB ILE 62 -1.065 -0.532 0.133 500 HG12 ILE 62 1HG1 ILE 62 -1.439 1.892 1.921 501 HG13 ILE 62 2HG1 ILE 62 -0.063 1.655 0.844 502 HG21 ILE 62 1HG2 ILE 62 -2.897 -1.467 1.438 503 HG22 ILE 62 2HG2 ILE 62 -3.414 0.053 0.712 504 HG23 ILE 62 3HG2 ILE 62 -2.982 -0.009 2.422 505 HD11 ILE 62 3HD1 ILE 62 -1.584 1.542 -1.091 506 HD12 ILE 62 1HD1 ILE 62 -1.787 3.064 -0.223 507 HD13 ILE 62 2HD1 ILE 62 -2.967 1.769 -0.020 508 H ASP 63 H ASP 63 1.090 -2.218 0.782 509 HA ASP 63 HA ASP 63 3.629 -0.847 1.368 510 HB2 ASP 63 1HB ASP 63 3.541 -3.315 1.256 511 HB3 ASP 63 2HB ASP 63 3.036 -3.217 -0.432 512 H LEU 64 H LEU 64 4.506 0.706 0.086 513 HA LEU 64 HA LEU 64 3.481 0.974 -2.729 514 HB2 LEU 64 1HB LEU 64 2.994 2.816 -0.864 515 HB3 LEU 64 2HB LEU 64 4.653 3.298 -1.201 516 HG LEU 64 HG LEU 64 3.189 4.594 -2.631 517 HD11 LEU 64 1HD1 LEU 64 4.310 2.421 -4.393 518 HD12 LEU 64 2HD1 LEU 64 5.347 3.565 -3.552 519 HD13 LEU 64 3HD1 LEU 64 4.180 4.141 -4.741 520 HD21 LEU 64 3HD2 LEU 64 2.127 2.247 -4.146 521 HD22 LEU 64 1HD2 LEU 64 1.352 3.777 -3.745 522 HD23 LEU 64 2HD2 LEU 64 1.437 2.495 -2.543 523 H LYS 65 H LYS 65 5.042 0.519 -4.177 524 HA LYS 65 HA LYS 65 7.841 0.284 -3.345 525 HB2 LYS 65 1HB LYS 65 6.740 -1.315 -4.918 526 HB3 LYS 65 2HB LYS 65 6.603 -0.014 -6.098 527 HG2 LYS 65 1HG LYS 65 9.118 0.263 -5.954 528 HG3 LYS 65 2HG LYS 65 9.155 -1.202 -4.976 529 HD2 LYS 65 1HD LYS 65 7.928 -1.054 -7.742 530 HD3 LYS 65 2HD LYS 65 9.580 -1.583 -7.434 531 HE2 LYS 65 1HE LYS 65 8.541 -3.285 -5.804 532 HE3 LYS 65 2HE LYS 65 7.005 -2.904 -6.578 533 HZ1 LYS 65 3HZ LYS 65 9.443 -3.817 -8.000 534 HZ2 LYS 65 1HZ LYS 65 7.926 -3.518 -8.696 535 HZ3 LYS 65 2HZ LYS 65 8.119 -4.804 -7.603 536 H VAL 66 H VAL 66 9.413 1.787 -3.698 537 HA VAL 66 HA VAL 66 8.988 3.905 -5.744 538 HB VAL 66 HB VAL 66 9.617 5.676 -4.189 539 HG11 VAL 66 1HG1 VAL 66 7.181 4.754 -4.390 540 HG12 VAL 66 2HG1 VAL 66 7.556 5.865 -3.076 541 HG13 VAL 66 3HG1 VAL 66 7.455 4.134 -2.761 542 HG21 VAL 66 3HG2 VAL 66 9.733 5.092 -1.726 543 HG22 VAL 66 1HG2 VAL 66 11.077 4.488 -2.684 544 HG23 VAL 66 2HG2 VAL 66 9.779 3.398 -2.197 545 H GLN 67 H GLN 67 11.084 5.099 -6.124 546 HA GLN 67 HA GLN 67 13.302 3.160 -6.103 547 HB2 GLN 67 1HB GLN 67 12.675 5.748 -7.473 548 HB3 GLN 67 2HB GLN 67 14.384 5.381 -7.249 549 HG2 GLN 67 1HG GLN 67 14.147 3.270 -8.418 550 HG3 GLN 67 2HG GLN 67 12.398 3.460 -8.497 551 HE21 GLN 67 2HE2 GLN 67 12.375 6.287 -9.192 552 HE22 GLN 67 1HE2 GLN 67 12.985 6.428 -10.770 553 HA PRO 68 HA PRO 68 15.405 4.714 -2.545 554 HB2 PRO 68 1HB PRO 68 18.042 4.851 -3.453 555 HB3 PRO 68 2HB PRO 68 17.234 3.361 -2.930 556 HG2 PRO 68 1HG PRO 68 17.663 4.404 -5.694 557 HG3 PRO 68 2HG PRO 68 17.776 2.742 -5.085 558 HD2 PRO 68 1HD PRO 68 15.616 3.582 -6.469 559 HD3 PRO 68 2HD PRO 68 15.460 2.426 -5.130 560 H GLU 69 H GLU 69 15.716 6.423 -5.566 561 HA GLU 69 HA GLU 69 16.811 8.853 -4.272 562 HB2 GLU 69 1HB GLU 69 15.999 8.234 -7.129 563 HB3 GLU 69 2HB GLU 69 16.639 9.789 -6.600 564 HG2 GLU 69 1HG GLU 69 18.709 8.729 -5.861 565 HG3 GLU 69 2HG GLU 69 18.070 7.138 -6.275 566 H LEU 70 H LEU 70 13.778 7.559 -5.476 567 HA LEU 70 HA LEU 70 12.404 10.169 -5.096 568 HB2 LEU 70 1HB LEU 70 11.316 7.502 -6.050 569 HB3 LEU 70 2HB LEU 70 10.481 9.053 -6.114 570 HG LEU 70 HG LEU 70 13.077 8.405 -7.544 571 HD11 LEU 70 1HD1 LEU 70 10.338 8.893 -8.737 572 HD12 LEU 70 2HD1 LEU 70 10.958 7.278 -8.388 573 HD13 LEU 70 3HD1 LEU 70 11.784 8.306 -9.560 574 HD21 LEU 70 3HD2 LEU 70 13.152 10.726 -7.208 575 HD22 LEU 70 1HD2 LEU 70 11.399 10.897 -7.277 576 HD23 LEU 70 2HD2 LEU 70 12.320 10.620 -8.755 577 H VAL 71 H VAL 71 13.326 7.717 -3.118 578 HA VAL 71 HA VAL 71 10.933 7.096 -1.668 579 HB VAL 71 HB VAL 71 13.025 5.802 -1.430 580 HG11 VAL 71 1HG1 VAL 71 14.095 8.099 0.219 581 HG12 VAL 71 2HG1 VAL 71 14.453 7.954 -1.500 582 HG13 VAL 71 3HG1 VAL 71 14.965 6.689 -0.385 583 HG21 VAL 71 3HG2 VAL 71 11.298 5.840 0.388 584 HG22 VAL 71 1HG2 VAL 71 12.216 7.122 1.177 585 HG23 VAL 71 2HG2 VAL 71 12.926 5.521 0.984 586 H GLY 72 H GLY 72 13.233 9.759 -1.462 587 HA2 GLY 72 1HA GLY 72 12.244 10.833 1.018 588 HA3 GLY 72 2HA GLY 72 13.197 11.721 -0.172 589 H SER 73 H SER 73 10.936 10.761 -2.145 590 HA SER 73 HA SER 73 9.518 13.261 -2.131 591 HB2 SER 73 1HB SER 73 8.303 12.394 -3.992 592 HB3 SER 73 2HB SER 73 9.933 11.744 -4.126 593 HG SER 73 HG SER 73 7.618 10.460 -3.097 594 H LEU 74 H LEU 74 8.186 9.962 -1.601 595 HA LEU 74 HA LEU 74 5.830 11.182 -0.311 596 HB2 LEU 74 1HB LEU 74 4.785 9.074 -0.468 597 HB3 LEU 74 2HB LEU 74 5.725 9.220 -1.946 598 HG LEU 74 HG LEU 74 6.585 7.677 0.531 599 HD11 LEU 74 1HD1 LEU 74 4.812 6.490 -0.539 600 HD12 LEU 74 2HD1 LEU 74 6.311 5.734 -1.079 601 HD13 LEU 74 3HD1 LEU 74 5.451 6.848 -2.142 602 HD21 LEU 74 3HD2 LEU 74 7.844 8.109 -2.193 603 HD22 LEU 74 1HD2 LEU 74 8.321 6.810 -1.104 604 HD23 LEU 74 2HD2 LEU 74 8.543 8.478 -0.620 605 H ARG 75 H ARG 75 8.774 9.619 0.672 606 HA ARG 75 HA ARG 75 7.922 8.703 3.244 607 HB2 ARG 75 1HB ARG 75 10.036 8.004 2.140 608 HB3 ARG 75 2HB ARG 75 10.680 9.628 2.386 609 HG2 ARG 75 1HG ARG 75 10.442 9.363 4.822 610 HG3 ARG 75 2HG ARG 75 9.769 7.748 4.588 611 HD2 ARG 75 1HD ARG 75 11.861 7.035 3.489 612 HD3 ARG 75 2HD ARG 75 12.542 8.643 3.735 613 HE ARG 75 HE ARG 75 12.129 6.588 5.813 614 HH11 ARG 75 1HH2 ARG 75 12.824 9.872 4.976 615 HH12 ARG 75 2HH2 ARG 75 13.568 10.232 6.496 616 HH21 ARG 75 1HH1 ARG 75 13.090 7.056 7.794 617 HH22 ARG 75 2HH1 ARG 75 13.717 8.643 8.090 618 H LYS 76 H LYS 76 8.676 11.876 2.036 619 HA LYS 76 HA LYS 76 8.903 12.958 4.797 620 HB2 LYS 76 1HB LYS 76 10.123 14.655 3.865 621 HB3 LYS 76 2HB LYS 76 10.176 13.647 2.429 622 HG2 LYS 76 1HG LYS 76 8.018 15.748 2.914 623 HG3 LYS 76 2HG LYS 76 9.493 16.040 2.014 624 HD2 LYS 76 1HD LYS 76 8.925 14.316 0.398 625 HD3 LYS 76 2HD LYS 76 7.481 13.898 1.307 626 HE2 LYS 76 1HE LYS 76 6.547 16.121 0.909 627 HE3 LYS 76 2HE LYS 76 8.018 16.606 0.070 628 HZ1 LYS 76 3HZ LYS 76 5.831 14.930 -0.838 629 HZ2 LYS 76 1HZ LYS 76 7.383 14.396 -1.265 630 HZ3 LYS 76 2HZ LYS 76 6.863 15.947 -1.722 631 H LYS 77 H LYS 77 6.508 12.272 2.518 632 HA LYS 77 HA LYS 77 4.833 14.568 2.984 633 HB2 LYS 77 1HB LYS 77 4.487 11.882 1.697 634 HB3 LYS 77 2HB LYS 77 3.038 12.811 2.074 635 HG2 LYS 77 1HG LYS 77 4.078 14.753 0.819 636 HG3 LYS 77 2HG LYS 77 5.361 13.652 0.318 637 HD2 LYS 77 1HD LYS 77 3.818 12.261 -0.875 638 HD3 LYS 77 2HD LYS 77 2.429 13.087 -0.169 639 HE2 LYS 77 1HE LYS 77 3.080 15.172 -1.316 640 HE3 LYS 77 2HE LYS 77 4.466 14.346 -2.030 641 HZ1 LYS 77 3HZ LYS 77 1.955 12.990 -2.417 642 HZ2 LYS 77 1HZ LYS 77 3.185 13.335 -3.533 643 HZ3 LYS 77 2HZ LYS 77 2.026 14.518 -3.155 644 HA PRO 78 HA PRO 78 3.136 13.528 6.908 645 HB2 PRO 78 1HB PRO 78 0.569 14.518 6.671 646 HB3 PRO 78 2HB PRO 78 2.004 15.541 6.890 647 HG2 PRO 78 1HG PRO 78 0.522 14.879 4.382 648 HG3 PRO 78 2HG PRO 78 1.204 16.428 4.913 649 HD2 PRO 78 1HD PRO 78 2.463 14.847 3.092 650 HD3 PRO 78 2HD PRO 78 3.359 15.867 4.241 651 H GLY 79 H GLY 79 2.027 11.866 7.918 652 HA2 GLY 79 1HA GLY 79 0.546 10.043 8.167 653 HA3 GLY 79 2HA GLY 79 -0.140 10.432 6.592 654 H ILE 80 H ILE 80 3.050 10.385 5.967 655 HA ILE 80 HA ILE 80 2.943 7.541 5.070 656 HB ILE 80 HB ILE 80 4.975 9.667 4.338 657 HG12 ILE 80 1HG1 ILE 80 2.826 10.512 3.638 658 HG13 ILE 80 2HG1 ILE 80 3.617 9.842 2.214 659 HG21 ILE 80 1HG2 ILE 80 5.099 8.108 2.276 660 HG22 ILE 80 2HG2 ILE 80 4.254 6.930 3.274 661 HG23 ILE 80 3HG2 ILE 80 5.833 7.536 3.771 662 HD11 ILE 80 3HD1 ILE 80 2.352 7.656 2.798 663 HD12 ILE 80 1HD1 ILE 80 1.450 8.979 2.066 664 HD13 ILE 80 2HD1 ILE 80 1.342 8.694 3.802 665 H TYR 81 H TYR 81 4.073 6.047 6.162 666 HA TYR 81 HA TYR 81 6.315 6.949 7.936 667 HB2 TYR 81 1HB TYR 81 4.383 4.642 8.304 668 HB3 TYR 81 2HB TYR 81 5.722 5.033 9.386 669 HD1 TYR 81 HD1 TYR 81 2.515 6.304 7.989 670 HD2 TYR 81 HD2 TYR 81 5.548 6.791 10.992 671 HE1 TYR 81 HE1 TYR 81 1.082 7.949 9.170 672 HE2 TYR 81 HE2 TYR 81 4.115 8.435 12.173 673 HH TYR 81 HH TYR 81 2.213 10.023 11.510 674 HA PRO 82 HA PRO 82 8.826 4.176 5.517 675 HB2 PRO 82 1HB PRO 82 10.821 3.604 7.314 676 HB3 PRO 82 2HB PRO 82 10.690 5.162 6.475 677 HG2 PRO 82 1HG PRO 82 9.868 4.430 9.252 678 HG3 PRO 82 2HG PRO 82 10.646 5.909 8.659 679 HD2 PRO 82 1HD PRO 82 7.962 5.766 9.193 680 HD3 PRO 82 2HD PRO 82 8.642 6.845 7.955 681 H ALA 83 H ALA 83 9.328 1.914 5.299 682 HA ALA 83 HA ALA 83 7.510 0.139 6.657 683 HB1 ALA 83 3HB ALA 83 8.552 -0.094 4.295 684 HB2 ALA 83 1HB ALA 83 8.369 -1.559 5.258 685 HB3 ALA 83 2HB ALA 83 9.946 -0.779 5.128 686 H TYR 84 H TYR 84 7.980 -1.503 8.182 687 HA TYR 84 HA TYR 84 9.914 -0.816 10.183 688 HB2 TYR 84 1HB TYR 84 9.302 -3.044 11.171 689 HB3 TYR 84 2HB TYR 84 7.914 -2.018 10.817 690 HD1 TYR 84 HD1 TYR 84 9.911 -4.907 9.591 691 HD2 TYR 84 HD2 TYR 84 6.276 -2.650 9.200 692 HE1 TYR 84 HE1 TYR 84 8.969 -6.676 8.129 693 HE2 TYR 84 HE2 TYR 84 5.337 -4.418 7.735 694 HH TYR 84 HH TYR 84 6.890 -7.493 7.340 695 H HIS 85 H HIS 85 11.389 -2.764 11.007 696 HA HIS 85 HA HIS 85 13.673 -2.936 9.502 697 HB2 HIS 85 1HB HIS 85 14.239 -4.991 10.731 698 HB3 HIS 85 2HB HIS 85 13.475 -3.817 11.800 699 HD1 HIS 85 HD1 HIS 85 10.840 -4.218 12.257 700 HD2 HIS 85 HD2 HIS 85 12.899 -7.428 10.573 701 HE1 HIS 85 HE1 HIS 85 9.384 -6.263 12.598 702 H MET 86 H MET 86 13.504 -3.262 7.304 703 HA MET 86 HA MET 86 13.231 -5.987 6.367 704 HB2 MET 86 1HB MET 86 10.829 -5.351 6.600 705 HB3 MET 86 2HB MET 86 11.107 -4.006 5.494 706 HG2 MET 86 1HG MET 86 11.705 -5.516 3.703 707 HG3 MET 86 2HG MET 86 11.660 -6.901 4.793 708 HE1 MET 86 3HE MET 86 9.453 -8.497 4.646 709 HE2 MET 86 1HE MET 86 8.169 -7.683 5.550 710 HE3 MET 86 2HE MET 86 9.836 -7.594 6.109 711 H ASN 87 H ASN 87 12.372 -2.975 4.676 712 HA ASN 87 HA ASN 87 15.028 -2.986 3.314 713 HB2 ASN 87 1HB ASN 87 12.320 -3.064 1.957 714 HB3 ASN 87 2HB ASN 87 13.805 -2.585 1.136 715 HD21 ASN 87 2HD2 ASN 87 12.296 -4.946 0.395 716 HD22 ASN 87 1HD2 ASN 87 13.265 -6.300 0.725 717 H LYS 88 H LYS 88 12.055 -1.325 4.179 718 HA LYS 88 HA LYS 88 11.569 0.941 4.474 719 HB2 LYS 88 1HB LYS 88 13.580 0.789 5.940 720 HB3 LYS 88 2HB LYS 88 14.588 1.237 4.566 721 HG2 LYS 88 1HG LYS 88 13.376 3.369 4.350 722 HG3 LYS 88 2HG LYS 88 12.340 2.920 5.702 723 HD2 LYS 88 1HD LYS 88 14.320 2.807 7.181 724 HD3 LYS 88 2HD LYS 88 15.349 3.272 5.827 725 HE2 LYS 88 1HE LYS 88 14.966 5.312 6.944 726 HE3 LYS 88 2HE LYS 88 13.793 5.345 5.628 727 HZ1 LYS 88 3HZ LYS 88 12.273 5.646 7.201 728 HZ2 LYS 88 1HZ LYS 88 13.355 5.262 8.450 729 HZ3 LYS 88 2HZ LYS 88 12.518 4.025 7.645 730 H GLU 89 H GLU 89 14.587 1.131 2.570 731 HA GLU 89 HA GLU 89 13.750 3.328 0.998 732 HB2 GLU 89 1HB GLU 89 15.781 1.157 0.440 733 HB3 GLU 89 2HB GLU 89 15.602 2.609 -0.546 734 HG2 GLU 89 1HG GLU 89 16.072 4.023 1.393 735 HG3 GLU 89 2HG GLU 89 16.166 2.600 2.433 736 H HIS 90 H HIS 90 13.810 -0.133 0.027 737 HA HIS 90 HA HIS 90 12.653 0.361 -2.544 738 HB2 HIS 90 1HB HIS 90 12.686 -2.151 -0.855 739 HB3 HIS 90 2HB HIS 90 12.199 -2.092 -2.547 740 HD1 HIS 90 HD1 HIS 90 15.207 -1.750 -0.318 741 HD2 HIS 90 HD2 HIS 90 14.331 -1.749 -4.393 742 HE1 HIS 90 HE1 HIS 90 17.428 -1.892 -1.527 743 H TRP 91 H TRP 91 11.144 -0.754 0.497 744 HA TRP 91 HA TRP 91 8.459 -0.148 -0.708 745 HB2 TRP 91 1HB TRP 91 9.074 -2.007 1.601 746 HB3 TRP 91 2HB TRP 91 7.554 -1.857 0.727 747 HD1 TRP 91 HD1 TRP 91 8.710 -1.837 -2.239 748 HE1 TRP 91 HE1 TRP 91 9.674 -4.000 -3.239 749 HE3 TRP 91 HE3 TRP 91 9.719 -4.430 2.051 750 HZ2 TRP 91 HZ2 TRP 91 10.732 -6.499 -2.353 751 HZ3 TRP 91 HZ3 TRP 91 10.704 -6.701 1.936 752 HH2 TRP 91 HH2 TRP 91 11.212 -7.738 -0.258 753 H ILE 92 H ILE 92 7.078 1.180 0.393 754 HA ILE 92 HA ILE 92 7.969 2.258 3.040 755 HB ILE 92 HB ILE 92 6.774 3.821 0.731 756 HG12 ILE 92 1HG1 ILE 92 9.287 3.115 0.682 757 HG13 ILE 92 2HG1 ILE 92 8.879 4.799 0.391 758 HG21 ILE 92 1HG2 ILE 92 7.405 4.530 3.593 759 HG22 ILE 92 2HG2 ILE 92 5.932 4.842 2.673 760 HG23 ILE 92 3HG2 ILE 92 7.395 5.768 2.335 761 HD11 ILE 92 3HD1 ILE 92 9.639 5.490 2.500 762 HD12 ILE 92 1HD1 ILE 92 10.813 4.257 2.050 763 HD13 ILE 92 2HD1 ILE 92 9.526 3.874 3.187 764 H THR 93 H THR 93 6.366 2.449 4.539 765 HA THR 93 HA THR 93 3.782 1.207 3.865 766 HB THR 93 HB THR 93 3.417 1.582 6.385 767 HG1 THR 93 HG1 THR 93 4.842 3.028 7.022 768 HG21 THR 93 3HG2 THR 93 5.662 -0.086 5.243 769 HG22 THR 93 1HG2 THR 93 4.029 -0.600 5.662 770 HG23 THR 93 2HG2 THR 93 5.182 -0.200 6.935 771 H VAL 94 H VAL 94 1.906 2.298 3.591 772 HA VAL 94 HA VAL 94 1.905 5.267 4.047 773 HB VAL 94 HB VAL 94 0.300 3.591 2.094 774 HG11 VAL 94 1HG1 VAL 94 0.288 6.530 2.796 775 HG12 VAL 94 2HG1 VAL 94 -1.080 5.421 2.715 776 HG13 VAL 94 3HG1 VAL 94 -0.285 5.948 1.233 777 HG21 VAL 94 3HG2 VAL 94 2.562 5.578 1.713 778 HG22 VAL 94 1HG2 VAL 94 1.627 4.858 0.402 779 HG23 VAL 94 2HG2 VAL 94 2.643 3.841 1.423 780 H LEU 95 H LEU 95 0.425 6.045 5.462 781 HA LEU 95 HA LEU 95 -1.280 4.127 6.895 782 HB2 LEU 95 1HB LEU 95 0.050 5.860 8.090 783 HB3 LEU 95 2HB LEU 95 -0.906 7.108 7.298 784 HG LEU 95 HG LEU 95 -2.965 6.117 8.332 785 HD11 LEU 95 1HD1 LEU 95 -2.520 3.890 8.844 786 HD12 LEU 95 2HD1 LEU 95 -2.331 4.647 10.423 787 HD13 LEU 95 3HD1 LEU 95 -0.908 4.240 9.467 788 HD21 LEU 95 3HD2 LEU 95 -2.527 7.018 10.564 789 HD22 LEU 95 1HD2 LEU 95 -1.739 8.026 9.351 790 HD23 LEU 95 2HD2 LEU 95 -0.789 6.883 10.299 791 H LEU 96 H LEU 96 -3.107 3.614 5.772 792 HA LEU 96 HA LEU 96 -4.563 5.455 4.098 793 HB2 LEU 96 1HB LEU 96 -5.318 2.817 5.372 794 HB3 LEU 96 2HB LEU 96 -6.398 3.707 4.305 795 HG LEU 96 HG LEU 96 -3.594 2.838 3.546 796 HD11 LEU 96 1HD1 LEU 96 -4.960 1.214 2.049 797 HD12 LEU 96 2HD1 LEU 96 -6.291 1.522 3.166 798 HD13 LEU 96 3HD1 LEU 96 -4.786 0.813 3.756 799 HD21 LEU 96 3HD2 LEU 96 -5.797 4.347 2.167 800 HD22 LEU 96 1HD2 LEU 96 -4.856 3.216 1.194 801 HD23 LEU 96 2HD2 LEU 96 -4.050 4.535 2.034 802 H ASN 97 H ASN 97 -4.908 4.398 7.460 803 HA ASN 97 HA ASN 97 -7.366 5.839 7.921 804 HB2 ASN 97 1HB ASN 97 -5.270 4.805 9.850 805 HB3 ASN 97 2HB ASN 97 -6.846 5.439 10.328 806 HD21 ASN 97 2HD2 ASN 97 -8.177 4.242 7.890 807 HD22 ASN 97 1HD2 ASN 97 -8.286 2.581 8.214 808 H GLY 98 H GLY 98 -4.399 6.993 7.187 809 HA2 GLY 98 1HA GLY 98 -4.211 9.153 9.153 810 HA3 GLY 98 2HA GLY 98 -3.188 8.941 7.733 811 HA PRO 99 HA PRO 99 -6.171 12.339 6.728 812 HB2 PRO 99 1HB PRO 99 -4.381 14.286 6.168 813 HB3 PRO 99 2HB PRO 99 -4.816 13.881 7.841 814 HG2 PRO 99 1HG PRO 99 -2.384 13.128 6.286 815 HG3 PRO 99 2HG PRO 99 -2.532 13.586 7.992 816 HD2 PRO 99 1HD PRO 99 -2.354 10.957 7.058 817 HD3 PRO 99 2HD PRO 99 -2.999 11.419 8.648 818 H LEU 100 H LEU 100 -3.877 10.511 5.133 819 HA LEU 100 HA LEU 100 -3.473 11.672 2.633 820 HB2 LEU 100 1HB LEU 100 -3.762 8.852 3.612 821 HB3 LEU 100 2HB LEU 100 -3.746 9.105 1.871 822 HG LEU 100 HG LEU 100 -1.482 8.651 2.815 823 HD11 LEU 100 1HD1 LEU 100 -2.119 10.391 0.829 824 HD12 LEU 100 2HD1 LEU 100 -0.464 10.054 1.311 825 HD13 LEU 100 3HD1 LEU 100 -1.274 11.493 1.917 826 HD21 LEU 100 3HD2 LEU 100 -1.995 9.864 4.995 827 HD22 LEU 100 1HD2 LEU 100 -1.717 11.373 4.123 828 HD23 LEU 100 2HD2 LEU 100 -0.413 10.199 4.292 829 H GLY 101 H GLY 101 -4.779 12.309 1.044 830 HA2 GLY 101 1HA GLY 101 -7.662 11.654 1.170 831 HA3 GLY 101 2HA GLY 101 -6.914 12.867 0.127 832 H ALA 102 H ALA 102 -8.708 11.156 -1.026 833 HA ALA 102 HA ALA 102 -7.587 8.740 -2.085 834 HB1 ALA 102 3HB ALA 102 -10.034 9.411 -2.106 835 HB2 ALA 102 1HB ALA 102 -9.432 8.779 -3.639 836 HB3 ALA 102 2HB ALA 102 -9.647 10.516 -3.425 837 H LYS 103 H LYS 103 -7.624 12.086 -3.240 838 HA LYS 103 HA LYS 103 -6.400 11.600 -5.783 839 HB2 LYS 103 1HB LYS 103 -6.312 14.066 -4.013 840 HB3 LYS 103 2HB LYS 103 -5.868 14.027 -5.717 841 HG2 LYS 103 1HG LYS 103 -8.596 13.116 -4.801 842 HG3 LYS 103 2HG LYS 103 -8.262 14.819 -5.106 843 HD2 LYS 103 1HD LYS 103 -7.529 14.239 -7.411 844 HD3 LYS 103 2HD LYS 103 -7.941 12.555 -7.106 845 HE2 LYS 103 1HE LYS 103 -10.276 13.177 -6.680 846 HE3 LYS 103 2HE LYS 103 -9.880 14.873 -6.963 847 HZ1 LYS 103 3HZ LYS 103 -10.602 14.254 -9.021 848 HZ2 LYS 103 1HZ LYS 103 -10.047 12.658 -8.875 849 HZ3 LYS 103 2HZ LYS 103 -8.945 13.914 -9.187 850 H GLU 104 H GLU 104 -5.041 12.389 -2.598 851 HA GLU 104 HA GLU 104 -2.320 12.599 -3.468 852 HB2 GLU 104 1HB GLU 104 -3.508 11.844 -0.780 853 HB3 GLU 104 2HB GLU 104 -1.794 12.171 -1.046 854 HG2 GLU 104 1HG GLU 104 -2.312 14.436 -1.813 855 HG3 GLU 104 2HG GLU 104 -4.039 14.118 -1.649 856 H ILE 105 H ILE 105 -4.221 9.860 -2.234 857 HA ILE 105 HA ILE 105 -2.076 7.960 -2.240 858 HB ILE 105 HB ILE 105 -5.076 7.605 -2.512 859 HG12 ILE 105 1HG1 ILE 105 -3.228 7.079 -0.167 860 HG13 ILE 105 2HG1 ILE 105 -4.106 8.593 -0.388 861 HG21 ILE 105 1HG2 ILE 105 -2.836 5.590 -2.229 862 HG22 ILE 105 2HG2 ILE 105 -4.120 5.624 -3.436 863 HG23 ILE 105 3HG2 ILE 105 -4.497 5.221 -1.762 864 HD11 ILE 105 3HD1 ILE 105 -6.238 7.272 -0.484 865 HD12 ILE 105 1HD1 ILE 105 -5.414 7.166 1.072 866 HD13 ILE 105 2HD1 ILE 105 -5.308 5.830 -0.075 867 H HIS 106 H HIS 106 -4.500 8.829 -4.699 868 HA HIS 106 HA HIS 106 -3.834 6.883 -6.639 869 HB2 HIS 106 1HB HIS 106 -4.768 9.747 -6.994 870 HB3 HIS 106 2HB HIS 106 -4.711 8.558 -8.295 871 HD1 HIS 106 HD1 HIS 106 -7.453 9.461 -7.854 872 HD2 HIS 106 HD2 HIS 106 -5.811 6.486 -5.439 873 HE1 HIS 106 HE1 HIS 106 -9.404 8.212 -6.829 874 H SER 107 H SER 107 -2.437 10.114 -6.086 875 HA SER 107 HA SER 107 -0.622 10.086 -8.283 876 HB2 SER 107 1HB SER 107 -0.324 11.407 -5.568 877 HB3 SER 107 2HB SER 107 0.632 11.791 -6.996 878 HG SER 107 HG SER 107 -0.997 12.875 -7.778 879 H LEU 108 H LEU 108 -0.227 8.983 -4.920 880 HA LEU 108 HA LEU 108 2.516 8.202 -5.169 881 HB2 LEU 108 1HB LEU 108 0.316 7.146 -3.362 882 HB3 LEU 108 2HB LEU 108 2.031 6.791 -3.160 883 HG LEU 108 HG LEU 108 0.860 9.589 -3.175 884 HD11 LEU 108 1HD1 LEU 108 1.283 9.515 -0.717 885 HD12 LEU 108 2HD1 LEU 108 1.681 7.803 -0.865 886 HD13 LEU 108 3HD1 LEU 108 0.050 8.364 -1.230 887 HD21 LEU 108 3HD2 LEU 108 3.628 8.448 -2.808 888 HD22 LEU 108 1HD2 LEU 108 3.189 9.932 -1.960 889 HD23 LEU 108 2HD2 LEU 108 3.120 9.872 -3.716 890 H ILE 109 H ILE 109 -0.521 6.424 -5.661 891 HA ILE 109 HA ILE 109 0.687 3.889 -6.234 892 HB ILE 109 HB ILE 109 -1.954 5.089 -7.129 893 HG12 ILE 109 1HG1 ILE 109 -1.367 2.980 -5.031 894 HG13 ILE 109 2HG1 ILE 109 -1.517 4.697 -4.655 895 HG21 ILE 109 1HG2 ILE 109 -1.507 3.358 -8.696 896 HG22 ILE 109 2HG2 ILE 109 -2.512 2.592 -7.466 897 HG23 ILE 109 3HG2 ILE 109 -0.769 2.326 -7.470 898 HD11 ILE 109 3HD1 ILE 109 -3.650 3.016 -6.004 899 HD12 ILE 109 1HD1 ILE 109 -3.795 4.720 -5.575 900 HD13 ILE 109 2HD1 ILE 109 -3.660 3.499 -4.308 901 H GLU 110 H GLU 110 -0.258 6.625 -8.296 902 HA GLU 110 HA GLU 110 0.289 5.525 -10.827 903 HB2 GLU 110 1HB GLU 110 -0.674 7.794 -10.426 904 HB3 GLU 110 2HB GLU 110 0.915 8.349 -9.900 905 HG2 GLU 110 1HG GLU 110 1.855 7.802 -12.102 906 HG3 GLU 110 2HG GLU 110 0.284 7.201 -12.636 907 H ASP 111 H ASP 111 2.518 6.967 -8.460 908 HA ASP 111 HA ASP 111 4.872 6.821 -10.081 909 HB2 ASP 111 1HB ASP 111 4.449 6.778 -7.082 910 HB3 ASP 111 2HB ASP 111 6.054 6.775 -7.815 911 H SER 112 H SER 112 3.312 4.517 -7.895 912 HA SER 112 HA SER 112 5.339 2.493 -8.018 913 HB2 SER 112 1HB SER 112 3.298 2.692 -6.434 914 HB3 SER 112 2HB SER 112 2.391 1.906 -7.716 915 HG SER 112 HG SER 112 3.245 0.109 -7.072 916 H PHE 113 H PHE 113 2.457 3.120 -9.997 917 HA PHE 113 HA PHE 113 2.490 0.758 -11.553 918 HB2 PHE 113 1HB PHE 113 0.648 2.378 -11.633 919 HB3 PHE 113 2HB PHE 113 1.712 3.572 -12.375 920 HD1 PHE 113 HD2 PHE 113 0.328 0.136 -12.855 921 HD2 PHE 113 HD1 PHE 113 2.004 3.622 -14.719 922 HE1 PHE 113 HE2 PHE 113 -0.174 -0.818 -15.087 923 HE2 PHE 113 HE1 PHE 113 1.502 2.670 -16.953 924 HZ PHE 113 HZ PHE 113 0.413 0.449 -17.137 925 H GLN 114 H GLN 114 4.084 3.890 -12.227 926 HA GLN 114 HA GLN 114 5.357 2.955 -14.632 927 HB2 GLN 114 1HB GLN 114 6.856 4.965 -14.290 928 HB3 GLN 114 2HB GLN 114 5.130 5.330 -14.310 929 HG2 GLN 114 1HG GLN 114 5.087 5.327 -11.856 930 HG3 GLN 114 2HG GLN 114 6.807 4.939 -11.816 931 HE21 GLN 114 2HE2 GLN 114 4.560 7.521 -11.919 932 HE22 GLN 114 1HE2 GLN 114 5.656 8.770 -12.270 933 H LEU 115 H LEU 115 6.243 2.882 -11.225 934 HA LEU 115 HA LEU 115 8.996 2.260 -11.529 935 HB2 LEU 115 1HB LEU 115 7.228 2.633 -9.412 936 HB3 LEU 115 2HB LEU 115 7.626 0.926 -9.254 937 HG LEU 115 HG LEU 115 9.195 2.221 -7.958 938 HD11 LEU 115 1HD1 LEU 115 11.121 1.139 -8.663 939 HD12 LEU 115 2HD1 LEU 115 10.866 1.544 -10.358 940 HD13 LEU 115 3HD1 LEU 115 9.928 0.253 -9.610 941 HD21 LEU 115 3HD2 LEU 115 10.435 3.620 -10.277 942 HD22 LEU 115 1HD2 LEU 115 10.186 4.177 -8.625 943 HD23 LEU 115 2HD2 LEU 115 8.862 4.239 -9.780 944 H THR 116 H THR 116 6.122 0.191 -11.430 945 HA THR 116 HA THR 116 7.756 -2.242 -11.825 946 HB THR 116 HB THR 116 5.663 -3.437 -11.532 947 HG1 THR 116 HG1 THR 116 3.724 -2.315 -11.443 948 HG21 THR 116 3HG2 THR 116 5.591 -1.081 -9.633 949 HG22 THR 116 1HG2 THR 116 6.820 -2.344 -9.537 950 HG23 THR 116 2HG2 THR 116 5.119 -2.748 -9.305 951 H ARG 117 H ARG 117 7.149 0.082 -13.851 952 HA ARG 117 HA ARG 117 5.604 -0.864 -15.999 953 HB2 ARG 117 1HB ARG 117 6.575 1.411 -15.881 954 HB3 ARG 117 2HB ARG 117 8.176 0.733 -16.173 955 HG2 ARG 117 1HG ARG 117 7.484 -0.094 -18.352 956 HG3 ARG 117 2HG ARG 117 5.821 0.416 -18.056 957 HD2 ARG 117 1HD ARG 117 8.179 2.319 -18.097 958 HD3 ARG 117 2HD ARG 117 7.138 2.018 -19.488 959 HE ARG 117 HE ARG 117 5.465 2.711 -17.304 960 HH11 ARG 117 1HH2 ARG 117 7.943 4.034 -19.307 961 HH12 ARG 117 2HH2 ARG 117 7.354 5.658 -19.188 962 HH21 ARG 117 1HH1 ARG 117 4.685 4.823 -17.140 963 HH22 ARG 117 2HH1 ARG 117 5.509 6.105 -17.961 964 H LEU 118 H LEU 118 6.039 -2.122 -17.804 965 HA LEU 118 HA LEU 118 7.892 -4.305 -17.441 966 HB2 LEU 118 1HB LEU 118 6.397 -3.503 -19.952 967 HB3 LEU 118 2HB LEU 118 7.039 -5.100 -19.567 968 HG LEU 118 HG LEU 118 4.873 -3.650 -18.019 969 HD11 LEU 118 1HD1 LEU 118 3.515 -5.650 -18.867 970 HD12 LEU 118 2HD1 LEU 118 4.832 -5.923 -20.009 971 HD13 LEU 118 3HD1 LEU 118 3.919 -4.414 -20.058 972 HD21 LEU 118 3HD2 LEU 118 6.345 -6.251 -17.595 973 HD22 LEU 118 1HD2 LEU 118 4.687 -6.065 -17.019 974 HD23 LEU 118 2HD2 LEU 118 5.950 -4.997 -16.419 975 H GLU 119 H GLU 119 9.839 -4.696 -18.412 976 HA GLU 119 HA GLU 119 11.154 -2.388 -19.745 977 HB2 GLU 119 1HB GLU 119 12.274 -4.966 -18.601 978 HB3 GLU 119 2HB GLU 119 13.242 -3.676 -19.316 979 HG2 GLU 119 1HG GLU 119 11.354 -3.248 -16.997 980 HG3 GLU 119 2HG GLU 119 13.073 -3.589 -16.795 981 H HIS 120 H HIS 120 9.209 -4.379 -20.992 982 HA HIS 120 HA HIS 120 10.826 -4.814 -23.421 983 HB2 HIS 120 1HB HIS 120 10.111 -7.191 -23.610 984 HB3 HIS 120 2HB HIS 120 11.158 -6.913 -22.220 985 HD1 HIS 120 HD1 HIS 120 10.026 -6.918 -19.849 986 HD2 HIS 120 HD2 HIS 120 7.473 -7.974 -22.973 987 HE1 HIS 120 HE1 HIS 120 7.982 -7.966 -18.782 988 H HIS 121 H HIS 121 9.431 -5.451 -25.281 989 HA HIS 121 HA HIS 121 6.931 -3.937 -25.211 990 HB2 HIS 121 1HB HIS 121 8.206 -5.580 -27.420 991 HB3 HIS 121 2HB HIS 121 6.813 -4.517 -27.619 992 HD1 HIS 121 HD1 HIS 121 7.277 -1.912 -26.993 993 HD2 HIS 121 HD2 HIS 121 10.649 -4.281 -27.620 994 HE1 HIS 121 HE1 HIS 121 9.211 -0.320 -27.371 995 H HIS 122 H HIS 122 4.860 -4.826 -25.807 996 HA HIS 122 HA HIS 122 4.154 -7.224 -24.445 997 HB2 HIS 122 1HB HIS 122 2.742 -5.639 -26.607 998 HB3 HIS 122 2HB HIS 122 2.008 -7.024 -25.800 999 HD1 HIS 122 HD1 HIS 122 3.427 -3.593 -25.007 1000 HD2 HIS 122 HD2 HIS 122 0.943 -6.463 -23.284 1001 HE1 HIS 122 HE1 HIS 122 2.443 -2.533 -22.928 1002 H HIS 123 H HIS 123 4.810 -6.597 -27.887 1003 HA HIS 123 HA HIS 123 4.210 -9.313 -28.710 1004 HB2 HIS 123 1HB HIS 123 4.035 -7.522 -30.332 1005 HB3 HIS 123 2HB HIS 123 5.714 -7.054 -30.065 1006 HD1 HIS 123 HD1 HIS 123 7.545 -8.477 -31.182 1007 HD2 HIS 123 HD2 HIS 123 3.697 -9.928 -31.861 1008 HE1 HIS 123 HE1 HIS 123 7.751 -10.235 -32.993 1009 H HIS 124 H HIS 124 5.527 -11.058 -28.603 1010 HA HIS 124 HA HIS 124 8.137 -10.839 -27.339 1011 HB2 HIS 124 1HB HIS 124 6.608 -12.772 -26.974 1012 HB3 HIS 124 2HB HIS 124 6.832 -13.237 -28.660 1013 HD1 HIS 124 HD1 HIS 124 8.999 -12.557 -25.589 1014 HD2 HIS 124 HD2 HIS 124 8.994 -14.916 -29.026 1015 HE1 HIS 124 HE1 HIS 124 11.039 -14.050 -25.435 1016 H HIS 125 H HIS 125 10.124 -10.849 -28.308 1017 HA HIS 125 HA HIS 125 10.567 -11.857 -30.990 1018 HB2 HIS 125 1HB HIS 125 9.488 -9.679 -31.520 1019 HB3 HIS 125 2HB HIS 125 10.732 -8.853 -30.581 1020 HD1 HIS 125 HD1 HIS 125 10.578 -11.323 -33.497 1021 HD2 HIS 125 HD2 HIS 125 12.918 -8.161 -32.116 1022 HE1 HIS 125 HE1 HIS 125 12.364 -10.935 -35.249 Start of MODEL 15 1 H1 MET 1 1H MET 1 -9.570 9.036 1.069 2 H2 MET 1 2H MET 1 -8.348 8.128 1.822 3 H3 MET 1 3H MET 1 -9.909 8.175 2.491 4 HA MET 1 HA MET 1 -10.573 7.236 0.148 5 HB2 MET 1 1HB MET 1 -8.263 7.360 -0.705 6 HB3 MET 1 2HB MET 1 -7.726 6.282 0.583 7 HG2 MET 1 1HG MET 1 -9.172 4.499 -0.272 8 HG3 MET 1 2HG MET 1 -9.799 5.578 -1.518 9 HE1 MET 1 3HE MET 1 -9.032 5.582 -3.743 10 HE2 MET 1 1HE MET 1 -7.337 5.728 -4.226 11 HE3 MET 1 2HE MET 1 -8.057 6.927 -3.155 12 H ASN 2 H ASN 2 -11.313 5.023 0.327 13 HA ASN 2 HA ASN 2 -11.261 4.013 3.143 14 HB2 ASN 2 1HB ASN 2 -13.186 3.522 0.856 15 HB3 ASN 2 2HB ASN 2 -13.294 2.737 2.432 16 HD21 ASN 2 2HD2 ASN 2 -12.090 5.600 3.338 17 HD22 ASN 2 1HD2 ASN 2 -13.512 6.506 3.536 18 H ARG 3 H ARG 3 -11.057 1.717 3.485 19 HA ARG 3 HA ARG 3 -8.957 0.476 2.012 20 HB2 ARG 3 1HB ARG 3 -9.587 -0.073 4.368 21 HB3 ARG 3 2HB ARG 3 -11.047 -0.852 3.764 22 HG2 ARG 3 1HG ARG 3 -9.658 -2.414 2.437 23 HG3 ARG 3 2HG ARG 3 -8.202 -1.651 3.081 24 HD2 ARG 3 1HD ARG 3 -8.657 -3.627 4.413 25 HD3 ARG 3 2HD ARG 3 -9.018 -2.210 5.396 26 HE ARG 3 HE ARG 3 -11.387 -3.053 4.026 27 HH11 ARG 3 1HH2 ARG 3 -9.186 -3.911 6.533 28 HH12 ARG 3 2HH2 ARG 3 -10.365 -4.781 7.458 29 HH21 ARG 3 1HH1 ARG 3 -12.946 -4.186 5.219 30 HH22 ARG 3 2HH1 ARG 3 -12.494 -4.936 6.713 31 H GLN 4 H GLN 4 -12.489 0.024 1.898 32 HA GLN 4 HA GLN 4 -12.475 -2.107 -0.009 33 HB2 GLN 4 1HB GLN 4 -14.421 -1.128 1.464 34 HB3 GLN 4 2HB GLN 4 -14.687 -0.057 0.092 35 HG2 GLN 4 1HG GLN 4 -14.629 -3.089 -0.032 36 HG3 GLN 4 2HG GLN 4 -16.082 -2.090 -0.077 37 HE21 GLN 4 2HE2 GLN 4 -14.120 -3.778 -2.111 38 HE22 GLN 4 1HE2 GLN 4 -14.271 -2.839 -3.517 39 H GLN 5 H GLN 5 -12.550 1.429 -0.408 40 HA GLN 5 HA GLN 5 -12.951 1.431 -3.240 41 HB2 GLN 5 1HB GLN 5 -11.814 3.377 -1.247 42 HB3 GLN 5 2HB GLN 5 -11.604 3.712 -2.965 43 HG2 GLN 5 1HG GLN 5 -13.666 4.752 -1.970 44 HG3 GLN 5 2HG GLN 5 -13.995 3.680 -3.330 45 HE21 GLN 5 2HE2 GLN 5 -15.105 4.409 -0.279 46 HE22 GLN 5 1HE2 GLN 5 -15.798 2.916 0.131 47 H PHE 6 H PHE 6 -9.988 1.344 -1.269 48 HA PHE 6 HA PHE 6 -8.129 1.489 -3.424 49 HB2 PHE 6 1HB PHE 6 -7.503 1.715 -1.029 50 HB3 PHE 6 2HB PHE 6 -7.837 -0.001 -0.798 51 HD1 PHE 6 HD1 PHE 6 -6.411 -1.720 -1.827 52 HD2 PHE 6 HD2 PHE 6 -5.542 2.465 -2.257 53 HE1 PHE 6 HE1 PHE 6 -4.125 -2.275 -2.617 54 HE2 PHE 6 HE2 PHE 6 -3.257 1.909 -3.046 55 HZ PHE 6 HZ PHE 6 -2.549 -0.459 -3.226 56 H ILE 7 H ILE 7 -9.636 -1.334 -1.836 57 HA ILE 7 HA ILE 7 -8.300 -3.314 -3.405 58 HB ILE 7 HB ILE 7 -11.000 -3.352 -2.025 59 HG12 ILE 7 1HG1 ILE 7 -8.375 -4.630 -1.213 60 HG13 ILE 7 2HG1 ILE 7 -8.878 -3.035 -0.657 61 HG21 ILE 7 1HG2 ILE 7 -10.590 -5.895 -2.152 62 HG22 ILE 7 2HG2 ILE 7 -9.419 -5.521 -3.416 63 HG23 ILE 7 3HG2 ILE 7 -11.116 -5.097 -3.634 64 HD11 ILE 7 3HD1 ILE 7 -10.460 -5.594 -0.270 65 HD12 ILE 7 1HD1 ILE 7 -10.916 -3.996 0.320 66 HD13 ILE 7 2HD1 ILE 7 -9.490 -4.802 0.971 67 H ASP 8 H ASP 8 -11.437 -1.670 -3.862 68 HA ASP 8 HA ASP 8 -12.165 -3.071 -6.249 69 HB2 ASP 8 1HB ASP 8 -13.665 -1.585 -4.831 70 HB3 ASP 8 2HB ASP 8 -12.874 -0.203 -5.588 71 H TYR 9 H TYR 9 -10.445 0.007 -5.745 72 HA TYR 9 HA TYR 9 -10.060 0.617 -8.511 73 HB2 TYR 9 1HB TYR 9 -9.706 2.292 -6.763 74 HB3 TYR 9 2HB TYR 9 -8.380 1.344 -6.092 75 HD1 TYR 9 HD2 TYR 9 -9.501 3.163 -9.147 76 HD2 TYR 9 HD1 TYR 9 -6.177 1.529 -6.971 77 HE1 TYR 9 HE2 TYR 9 -7.931 4.268 -10.715 78 HE2 TYR 9 HE1 TYR 9 -4.607 2.636 -8.539 79 HH TYR 9 HH TYR 9 -5.765 4.308 -11.422 80 H ALA 10 H ALA 10 -8.071 -1.180 -6.171 81 HA ALA 10 HA ALA 10 -5.841 -1.659 -7.872 82 HB1 ALA 10 3HB ALA 10 -5.213 -3.362 -6.317 83 HB2 ALA 10 1HB ALA 10 -6.885 -3.612 -5.811 84 HB3 ALA 10 2HB ALA 10 -6.041 -2.130 -5.364 85 H GLN 11 H GLN 11 -8.837 -3.546 -7.398 86 HA GLN 11 HA GLN 11 -8.082 -5.685 -9.153 87 HB2 GLN 11 1HB GLN 11 -10.782 -4.648 -8.272 88 HB3 GLN 11 2HB GLN 11 -10.585 -6.087 -9.274 89 HG2 GLN 11 1HG GLN 11 -9.189 -7.123 -7.547 90 HG3 GLN 11 2HG GLN 11 -9.325 -5.677 -6.547 91 HE21 GLN 11 2HE2 GLN 11 -10.750 -8.699 -7.193 92 HE22 GLN 11 1HE2 GLN 11 -12.228 -8.444 -6.396 93 H LYS 12 H LYS 12 -9.965 -2.711 -9.729 94 HA LYS 12 HA LYS 12 -10.540 -3.258 -12.468 95 HB2 LYS 12 1HB LYS 12 -11.628 -1.463 -11.108 96 HB3 LYS 12 2HB LYS 12 -10.122 -0.548 -11.174 97 HG2 LYS 12 1HG LYS 12 -10.248 -0.467 -13.621 98 HG3 LYS 12 2HG LYS 12 -11.720 -1.439 -13.593 99 HD2 LYS 12 1HD LYS 12 -12.856 0.325 -12.282 100 HD3 LYS 12 2HD LYS 12 -11.388 1.301 -12.335 101 HE2 LYS 12 1HE LYS 12 -11.509 1.376 -14.791 102 HE3 LYS 12 2HE LYS 12 -12.961 0.375 -14.756 103 HZ1 LYS 12 3HZ LYS 12 -13.301 2.547 -13.007 104 HZ2 LYS 12 1HZ LYS 12 -14.176 2.176 -14.412 105 HZ3 LYS 12 2HZ LYS 12 -12.784 3.144 -14.511 106 H LYS 13 H LYS 13 -7.744 -1.786 -10.888 107 HA LYS 13 HA LYS 13 -6.492 -1.097 -13.449 108 HB2 LYS 13 1HB LYS 13 -6.206 0.305 -11.425 109 HB3 LYS 13 2HB LYS 13 -5.357 -1.029 -10.644 110 HG2 LYS 13 1HG LYS 13 -3.625 -0.982 -12.373 111 HG3 LYS 13 2HG LYS 13 -4.491 0.294 -13.231 112 HD2 LYS 13 1HD LYS 13 -4.241 1.782 -11.281 113 HD3 LYS 13 2HD LYS 13 -3.374 0.511 -10.420 114 HE2 LYS 13 1HE LYS 13 -1.770 2.066 -11.416 115 HE3 LYS 13 2HE LYS 13 -1.658 0.500 -12.220 116 HZ1 LYS 13 3HZ LYS 13 -3.615 2.035 -13.509 117 HZ2 LYS 13 1HZ LYS 13 -2.142 1.471 -14.131 118 HZ3 LYS 13 2HZ LYS 13 -2.213 2.985 -13.362 119 H TYR 14 H TYR 14 -6.046 -3.634 -10.963 120 HA TYR 14 HA TYR 14 -3.953 -4.875 -12.734 121 HB2 TYR 14 1HB TYR 14 -4.400 -5.185 -9.755 122 HB3 TYR 14 2HB TYR 14 -3.141 -5.993 -10.691 123 HD1 TYR 14 HD1 TYR 14 -1.466 -4.554 -11.977 124 HD2 TYR 14 HD2 TYR 14 -4.090 -2.968 -8.967 125 HE1 TYR 14 HE1 TYR 14 -0.016 -2.553 -11.768 126 HE2 TYR 14 HE2 TYR 14 -2.639 -0.967 -8.757 127 HH TYR 14 HH TYR 14 -0.085 -0.307 -11.006 128 H ASP 15 H ASP 15 -7.158 -5.235 -12.205 129 HA ASP 15 HA ASP 15 -8.634 -7.099 -12.117 130 HB2 ASP 15 1HB ASP 15 -7.981 -8.800 -13.929 131 HB3 ASP 15 2HB ASP 15 -8.201 -7.130 -14.446 132 H THR 16 H THR 16 -6.423 -7.207 -10.141 133 HA THR 16 HA THR 16 -6.079 -10.178 -9.891 134 HB THR 16 HB THR 16 -4.519 -7.869 -8.693 135 HG1 THR 16 HG1 THR 16 -3.647 -8.184 -10.599 136 HG21 THR 16 3HG2 THR 16 -4.491 -10.831 -8.125 137 HG22 THR 16 1HG2 THR 16 -4.479 -9.484 -6.985 138 HG23 THR 16 2HG2 THR 16 -3.033 -9.859 -7.922 139 H LYS 17 H LYS 17 -7.270 -11.150 -8.342 140 HA LYS 17 HA LYS 17 -8.887 -9.524 -6.522 141 HB2 LYS 17 1HB LYS 17 -9.486 -12.034 -5.749 142 HB3 LYS 17 2HB LYS 17 -10.185 -11.317 -7.196 143 HG2 LYS 17 1HG LYS 17 -7.537 -12.716 -7.478 144 HG3 LYS 17 2HG LYS 17 -8.973 -13.710 -7.265 145 HD2 LYS 17 1HD LYS 17 -10.012 -12.810 -9.223 146 HD3 LYS 17 2HD LYS 17 -8.817 -11.522 -9.354 147 HE2 LYS 17 1HE LYS 17 -7.054 -13.257 -9.727 148 HE3 LYS 17 2HE LYS 17 -8.315 -14.488 -9.724 149 HZ1 LYS 17 3HZ LYS 17 -8.654 -14.058 -11.853 150 HZ2 LYS 17 1HZ LYS 17 -7.506 -12.809 -11.831 151 HZ3 LYS 17 2HZ LYS 17 -9.129 -12.474 -11.459 152 HA PRO 18 HA PRO 18 -6.382 -9.611 -2.859 153 HB2 PRO 18 1HB PRO 18 -8.578 -11.103 -1.459 154 HB3 PRO 18 2HB PRO 18 -7.746 -9.613 -0.978 155 HG2 PRO 18 1HG PRO 18 -10.228 -9.589 -1.989 156 HG3 PRO 18 2HG PRO 18 -9.070 -8.285 -2.303 157 HD2 PRO 18 1HD PRO 18 -10.039 -10.415 -4.150 158 HD3 PRO 18 2HD PRO 18 -9.421 -8.788 -4.512 159 H ASP 19 H ASP 19 -4.774 -10.990 -2.176 160 HA ASP 19 HA ASP 19 -5.229 -13.953 -2.442 161 HB2 ASP 19 1HB ASP 19 -2.728 -12.299 -2.892 162 HB3 ASP 19 2HB ASP 19 -2.732 -14.060 -2.798 163 H HIS 20 H HIS 20 -4.652 -15.205 -0.674 164 HA HIS 20 HA HIS 20 -3.287 -13.861 1.627 165 HB2 HIS 20 1HB HIS 20 -5.644 -15.702 2.053 166 HB3 HIS 20 2HB HIS 20 -4.934 -14.540 3.172 167 HD1 HIS 20 HD1 HIS 20 -6.281 -12.464 3.396 168 HD2 HIS 20 HD2 HIS 20 -6.722 -14.165 -0.384 169 HE1 HIS 20 HE1 HIS 20 -7.919 -10.998 2.138 170 HA PRO 21 HA PRO 21 -1.291 -17.917 0.494 171 HB2 PRO 21 1HB PRO 21 0.890 -16.556 2.038 172 HB3 PRO 21 2HB PRO 21 0.977 -17.424 0.491 173 HG2 PRO 21 1HG PRO 21 1.087 -14.763 0.590 174 HG3 PRO 21 2HG PRO 21 0.240 -15.602 -0.723 175 HD2 PRO 21 1HD PRO 21 -0.911 -14.167 1.647 176 HD3 PRO 21 2HD PRO 21 -1.541 -14.289 -0.012 177 H TRP 22 H TRP 22 -1.186 -16.144 3.576 178 HA TRP 22 HA TRP 22 -0.950 -18.676 5.092 179 HB2 TRP 22 1HB TRP 22 -1.041 -15.774 5.967 180 HB3 TRP 22 2HB TRP 22 -0.845 -17.140 7.067 181 HD1 TRP 22 HD1 TRP 22 1.227 -18.923 5.850 182 HE1 TRP 22 HE1 TRP 22 3.628 -18.154 5.328 183 HE3 TRP 22 HE3 TRP 22 0.512 -13.867 5.635 184 HZ2 TRP 22 HZ2 TRP 22 5.060 -15.722 4.883 185 HZ3 TRP 22 HZ3 TRP 22 2.415 -12.350 5.163 186 HH2 TRP 22 HH2 TRP 22 4.687 -13.271 4.787 187 H GLU 23 H GLU 23 -2.674 -19.668 6.010 188 HA GLU 23 HA GLU 23 -5.351 -18.514 5.617 189 HB2 GLU 23 1HB GLU 23 -6.151 -20.679 6.467 190 HB3 GLU 23 2HB GLU 23 -4.943 -20.922 5.205 191 HG2 GLU 23 1HG GLU 23 -3.204 -21.190 6.982 192 HG3 GLU 23 2HG GLU 23 -4.477 -21.082 8.199 193 H LYS 24 H LYS 24 -2.980 -18.632 8.098 194 HA LYS 24 HA LYS 24 -4.875 -18.350 10.317 195 HB2 LYS 24 1HB LYS 24 -1.873 -17.946 10.180 196 HB3 LYS 24 2HB LYS 24 -2.824 -17.924 11.666 197 HG2 LYS 24 1HG LYS 24 -3.608 -20.245 11.127 198 HG3 LYS 24 2HG LYS 24 -2.497 -20.258 9.760 199 HD2 LYS 24 1HD LYS 24 -1.626 -19.752 12.619 200 HD3 LYS 24 2HD LYS 24 -1.592 -21.342 11.861 201 HE2 LYS 24 1HE LYS 24 -0.177 -20.239 10.010 202 HE3 LYS 24 2HE LYS 24 0.012 -18.889 11.128 203 HZ1 LYS 24 3HZ LYS 24 1.575 -20.017 12.176 204 HZ2 LYS 24 1HZ LYS 24 1.392 -21.320 11.106 205 HZ3 LYS 24 2HZ LYS 24 0.472 -21.259 12.533 206 H PHE 25 H PHE 25 -3.809 -16.328 7.894 207 HA PHE 25 HA PHE 25 -4.390 -13.880 9.534 208 HB2 PHE 25 1HB PHE 25 -2.271 -14.322 7.420 209 HB3 PHE 25 2HB PHE 25 -2.785 -12.715 7.936 210 HD1 PHE 25 HD1 PHE 25 -2.897 -12.383 10.571 211 HD2 PHE 25 HD2 PHE 25 -0.484 -15.320 8.569 212 HE1 PHE 25 HE1 PHE 25 -1.427 -12.531 12.562 213 HE2 PHE 25 HE2 PHE 25 0.987 -15.467 10.561 214 HZ PHE 25 HZ PHE 25 0.515 -14.073 12.557 215 HA PRO 26 HA PRO 26 -7.083 -14.386 5.681 216 HB2 PRO 26 1HB PRO 26 -9.509 -14.234 6.993 217 HB3 PRO 26 2HB PRO 26 -8.661 -15.758 6.665 218 HG2 PRO 26 1HG PRO 26 -8.759 -14.152 9.180 219 HG3 PRO 26 2HG PRO 26 -8.816 -15.911 8.963 220 HD2 PRO 26 1HD PRO 26 -6.550 -14.614 9.738 221 HD3 PRO 26 2HD PRO 26 -6.504 -16.097 8.761 222 H ASP 27 H ASP 27 -6.853 -12.171 8.347 223 HA ASP 27 HA ASP 27 -8.516 -10.099 7.102 224 HB2 ASP 27 1HB ASP 27 -6.614 -10.070 9.465 225 HB3 ASP 27 2HB ASP 27 -7.555 -8.669 8.949 226 H TYR 28 H TYR 28 -5.473 -11.324 6.507 227 HA TYR 28 HA TYR 28 -4.313 -8.715 5.649 228 HB2 TYR 28 1HB TYR 28 -3.168 -11.497 5.978 229 HB3 TYR 28 2HB TYR 28 -2.277 -10.190 5.196 230 HD1 TYR 28 HD2 TYR 28 -4.274 -10.852 8.309 231 HD2 TYR 28 HD1 TYR 28 -0.945 -8.796 6.533 232 HE1 TYR 28 HE2 TYR 28 -3.654 -9.938 10.527 233 HE2 TYR 28 HE1 TYR 28 -0.331 -7.879 8.751 234 HH TYR 28 HH TYR 28 -1.482 -7.394 10.923 235 H ALA 29 H ALA 29 -4.173 -8.179 3.525 236 HA ALA 29 HA ALA 29 -4.928 -10.250 1.479 237 HB1 ALA 29 3HB ALA 29 -5.418 -7.270 1.257 238 HB2 ALA 29 1HB ALA 29 -6.620 -8.379 1.917 239 HB3 ALA 29 2HB ALA 29 -6.081 -8.554 0.248 240 H VAL 30 H VAL 30 -3.458 -10.502 -0.145 241 HA VAL 30 HA VAL 30 -1.177 -8.545 -0.298 242 HB VAL 30 HB VAL 30 -1.250 -11.465 -1.123 243 HG11 VAL 30 1HG1 VAL 30 0.906 -9.346 -1.048 244 HG12 VAL 30 2HG1 VAL 30 0.378 -10.310 -2.428 245 HG13 VAL 30 3HG1 VAL 30 1.278 -11.068 -1.114 246 HG21 VAL 30 3HG2 VAL 30 0.373 -11.630 0.880 247 HG22 VAL 30 1HG2 VAL 30 -1.343 -11.469 1.250 248 HG23 VAL 30 2HG2 VAL 30 -0.280 -10.070 1.379 249 H PHE 31 H PHE 31 -1.049 -7.422 -2.176 250 HA PHE 31 HA PHE 31 -2.606 -8.399 -4.551 251 HB2 PHE 31 1HB PHE 31 -1.912 -5.615 -3.594 252 HB3 PHE 31 2HB PHE 31 -2.496 -5.938 -5.227 253 HD1 PHE 31 HD2 PHE 31 -4.762 -6.802 -5.616 254 HD2 PHE 31 HD1 PHE 31 -3.368 -5.872 -1.660 255 HE1 PHE 31 HE2 PHE 31 -7.092 -6.895 -4.773 256 HE2 PHE 31 HE1 PHE 31 -5.698 -5.968 -0.817 257 HZ PHE 31 HZ PHE 31 -7.559 -6.482 -2.374 258 H ARG 32 H ARG 32 -1.387 -9.081 -6.209 259 HA ARG 32 HA ARG 32 1.120 -7.683 -6.890 260 HB2 ARG 32 1HB ARG 32 2.428 -9.792 -6.933 261 HB3 ARG 32 2HB ARG 32 1.880 -9.401 -5.303 262 HG2 ARG 32 1HG ARG 32 -0.024 -10.952 -5.570 263 HG3 ARG 32 2HG ARG 32 0.534 -11.356 -7.194 264 HD2 ARG 32 1HD ARG 32 2.660 -12.193 -6.260 265 HD3 ARG 32 2HD ARG 32 2.103 -11.788 -4.638 266 HE ARG 32 HE ARG 32 0.628 -13.659 -4.703 267 HH11 ARG 32 1HH2 ARG 32 2.135 -13.020 -7.747 268 HH12 ARG 32 2HH2 ARG 32 1.665 -14.534 -8.441 269 HH21 ARG 32 1HH1 ARG 32 0.007 -15.630 -5.603 270 HH22 ARG 32 2HH1 ARG 32 0.460 -16.009 -7.231 271 H HIS 33 H HIS 33 1.599 -7.888 -9.109 272 HA HIS 33 HA HIS 33 -0.535 -9.196 -10.725 273 HB2 HIS 33 1HB HIS 33 0.302 -6.723 -11.019 274 HB3 HIS 33 2HB HIS 33 1.648 -7.462 -11.883 275 HD1 HIS 33 HD1 HIS 33 -0.909 -9.734 -12.553 276 HD2 HIS 33 HD2 HIS 33 -0.205 -5.855 -13.907 277 HE1 HIS 33 HE1 HIS 33 -2.223 -9.478 -14.701 278 H SER 34 H SER 34 -0.134 -11.104 -11.669 279 HA SER 34 HA SER 34 2.542 -12.277 -11.585 280 HB2 SER 34 1HB SER 34 1.424 -14.239 -12.608 281 HB3 SER 34 2HB SER 34 0.546 -13.665 -11.193 282 HG SER 34 HG SER 34 -0.463 -14.044 -13.515 283 H ASP 35 H ASP 35 0.844 -10.303 -13.782 284 HA ASP 35 HA ASP 35 1.742 -11.350 -16.278 285 HB2 ASP 35 1HB ASP 35 -0.005 -9.623 -16.095 286 HB3 ASP 35 2HB ASP 35 1.193 -8.471 -15.506 287 H ASN 36 H ASN 36 3.237 -8.907 -14.130 288 HA ASN 36 HA ASN 36 5.811 -9.300 -15.637 289 HB2 ASN 36 1HB ASN 36 6.353 -6.960 -15.114 290 HB3 ASN 36 2HB ASN 36 4.844 -7.053 -16.025 291 HD21 ASN 36 2HD2 ASN 36 4.583 -4.812 -14.879 292 HD22 ASN 36 1HD2 ASN 36 3.848 -4.828 -13.350 293 H ASP 37 H ASP 37 4.192 -9.488 -12.642 294 HA ASP 37 HA ASP 37 4.946 -9.999 -10.486 295 HB2 ASP 37 1HB ASP 37 6.190 -11.764 -11.841 296 HB3 ASP 37 2HB ASP 37 7.589 -10.692 -11.788 297 H LYS 38 H LYS 38 5.977 -7.421 -12.178 298 HA LYS 38 HA LYS 38 8.055 -6.532 -10.247 299 HB2 LYS 38 1HB LYS 38 6.935 -5.256 -12.763 300 HB3 LYS 38 2HB LYS 38 8.174 -4.517 -11.752 301 HG2 LYS 38 1HG LYS 38 8.572 -7.308 -12.818 302 HG3 LYS 38 2HG LYS 38 8.898 -5.921 -13.850 303 HD2 LYS 38 1HD LYS 38 10.472 -5.035 -12.163 304 HD3 LYS 38 2HD LYS 38 10.156 -6.428 -11.132 305 HE2 LYS 38 1HE LYS 38 12.199 -6.832 -12.386 306 HE3 LYS 38 2HE LYS 38 10.941 -7.921 -12.972 307 HZ1 LYS 38 3HZ LYS 38 11.966 -5.454 -14.241 308 HZ2 LYS 38 1HZ LYS 38 10.480 -6.137 -14.690 309 HZ3 LYS 38 2HZ LYS 38 11.913 -7.027 -14.880 310 H TRP 39 H TRP 39 4.711 -6.464 -10.598 311 HA TRP 39 HA TRP 39 4.341 -3.846 -9.271 312 HB2 TRP 39 1HB TRP 39 2.731 -4.412 -10.988 313 HB3 TRP 39 2HB TRP 39 2.399 -5.965 -10.225 314 HD1 TRP 39 HD1 TRP 39 0.364 -6.007 -8.730 315 HE1 TRP 39 HE1 TRP 39 -1.026 -4.266 -7.436 316 HE3 TRP 39 HE3 TRP 39 3.104 -1.797 -9.681 317 HZ2 TRP 39 HZ2 TRP 39 -0.987 -1.466 -6.875 318 HZ3 TRP 39 HZ3 TRP 39 2.401 0.392 -8.751 319 HH2 TRP 39 HH2 TRP 39 0.362 0.562 -7.350 320 H TYR 40 H TYR 40 4.826 -3.883 -7.128 321 HA TYR 40 HA TYR 40 3.962 -6.243 -5.493 322 HB2 TYR 40 1HB TYR 40 6.059 -4.109 -5.025 323 HB3 TYR 40 2HB TYR 40 5.552 -5.259 -3.786 324 HD1 TYR 40 HD1 TYR 40 7.240 -4.876 -7.047 325 HD2 TYR 40 HD2 TYR 40 6.114 -7.613 -3.936 326 HE1 TYR 40 HE1 TYR 40 8.757 -6.588 -8.004 327 HE2 TYR 40 HE2 TYR 40 7.632 -9.325 -4.891 328 HH TYR 40 HH TYR 40 9.611 -9.435 -6.318 329 H ALA 41 H ALA 41 2.301 -5.950 -4.122 330 HA ALA 41 HA ALA 41 1.741 -3.283 -2.983 331 HB1 ALA 41 3HB ALA 41 0.402 -3.076 -4.942 332 HB2 ALA 41 1HB ALA 41 -0.720 -3.579 -3.680 333 HB3 ALA 41 2HB ALA 41 -0.126 -4.755 -4.851 334 H LEU 42 H LEU 42 1.303 -3.630 -0.875 335 HA LEU 42 HA LEU 42 0.014 -6.219 -0.078 336 HB2 LEU 42 1HB LEU 42 2.371 -6.231 0.585 337 HB3 LEU 42 2HB LEU 42 2.184 -4.662 1.363 338 HG LEU 42 HG LEU 42 0.639 -5.605 3.000 339 HD11 LEU 42 1HD1 LEU 42 0.838 -8.031 1.221 340 HD12 LEU 42 2HD1 LEU 42 -0.598 -7.268 1.900 341 HD13 LEU 42 3HD1 LEU 42 0.458 -8.226 2.933 342 HD21 LEU 42 3HD2 LEU 42 3.120 -5.814 3.342 343 HD22 LEU 42 1HD2 LEU 42 3.024 -7.446 2.680 344 HD23 LEU 42 2HD2 LEU 42 2.187 -7.054 4.181 345 H LEU 43 H LEU 43 -1.799 -5.989 1.079 346 HA LEU 43 HA LEU 43 -2.385 -3.352 2.387 347 HB2 LEU 43 1HB LEU 43 -3.668 -3.747 0.250 348 HB3 LEU 43 2HB LEU 43 -4.381 -5.168 0.995 349 HG LEU 43 HG LEU 43 -4.539 -2.481 2.377 350 HD11 LEU 43 1HD1 LEU 43 -6.870 -2.344 1.248 351 HD12 LEU 43 2HD1 LEU 43 -6.199 -3.461 0.057 352 HD13 LEU 43 3HD1 LEU 43 -5.457 -1.881 0.302 353 HD21 LEU 43 3HD2 LEU 43 -5.376 -4.120 3.828 354 HD22 LEU 43 1HD2 LEU 43 -6.024 -5.107 2.519 355 HD23 LEU 43 2HD2 LEU 43 -6.839 -3.625 2.995 356 H MET 44 H MET 44 -2.854 -3.597 4.541 357 HA MET 44 HA MET 44 -4.255 -5.984 5.484 358 HB2 MET 44 1HB MET 44 -2.291 -6.410 7.185 359 HB3 MET 44 2HB MET 44 -2.201 -7.089 5.561 360 HG2 MET 44 1HG MET 44 -0.807 -5.224 4.815 361 HG3 MET 44 2HG MET 44 -0.951 -4.456 6.398 362 HE1 MET 44 3HE MET 44 1.774 -4.366 6.694 363 HE2 MET 44 1HE MET 44 1.625 -4.863 5.003 364 HE3 MET 44 2HE MET 44 2.748 -5.697 6.074 365 H ASP 45 H ASP 45 -4.685 -5.856 7.842 366 HA ASP 45 HA ASP 45 -4.936 -3.008 8.708 367 HB2 ASP 45 1HB ASP 45 -6.349 -5.559 9.533 368 HB3 ASP 45 2HB ASP 45 -6.556 -4.030 10.389 369 H ILE 46 H ILE 46 -3.376 -2.335 10.125 370 HA ILE 46 HA ILE 46 -2.409 -4.270 12.184 371 HB ILE 46 HB ILE 46 -0.116 -3.250 11.932 372 HG12 ILE 46 1HG1 ILE 46 -1.139 -2.287 9.253 373 HG13 ILE 46 2HG1 ILE 46 -1.054 -1.225 10.657 374 HG21 ILE 46 1HG2 ILE 46 -1.317 -4.714 9.566 375 HG22 ILE 46 2HG2 ILE 46 -0.581 -5.442 10.993 376 HG23 ILE 46 3HG2 ILE 46 0.415 -4.538 9.852 377 HD11 ILE 46 3HD1 ILE 46 1.385 -1.822 10.871 378 HD12 ILE 46 1HD1 ILE 46 0.994 -0.947 9.393 379 HD13 ILE 46 2HD1 ILE 46 1.251 -2.691 9.343 380 HA PRO 47 HA PRO 47 -3.362 -0.963 14.968 381 HB2 PRO 47 1HB PRO 47 -1.618 -1.484 17.025 382 HB3 PRO 47 2HB PRO 47 -3.101 -2.411 16.732 383 HG2 PRO 47 1HG PRO 47 -0.295 -3.062 15.947 384 HG3 PRO 47 2HG PRO 47 -1.543 -4.118 16.624 385 HD2 PRO 47 1HD PRO 47 -0.970 -4.118 13.982 386 HD3 PRO 47 2HD PRO 47 -2.629 -4.369 14.572 387 H ALA 48 H ALA 48 -2.647 1.075 15.674 388 HA ALA 48 HA ALA 48 -0.653 2.335 14.104 389 HB1 ALA 48 3HB ALA 48 -1.449 3.436 16.789 390 HB2 ALA 48 1HB ALA 48 -2.649 3.320 15.503 391 HB3 ALA 48 2HB ALA 48 -1.197 4.288 15.266 392 H GLU 49 H GLU 49 -0.432 0.597 17.110 393 HA GLU 49 HA GLU 49 2.036 1.709 18.046 394 HB2 GLU 49 1HB GLU 49 2.044 -0.035 19.633 395 HB3 GLU 49 2HB GLU 49 0.332 0.194 19.288 396 HG2 GLU 49 1HG GLU 49 0.638 -1.638 17.500 397 HG3 GLU 49 2HG GLU 49 2.163 -1.994 18.299 398 H LYS 50 H LYS 50 1.337 -0.429 15.432 399 HA LYS 50 HA LYS 50 3.997 -1.670 15.390 400 HB2 LYS 50 1HB LYS 50 1.576 -1.772 13.597 401 HB3 LYS 50 2HB LYS 50 3.103 -2.484 13.081 402 HG2 LYS 50 1HG LYS 50 2.014 -3.172 15.806 403 HG3 LYS 50 2HG LYS 50 1.326 -3.954 14.384 404 HD2 LYS 50 1HD LYS 50 3.570 -4.728 13.717 405 HD3 LYS 50 2HD LYS 50 4.268 -3.945 15.133 406 HE2 LYS 50 1HE LYS 50 2.889 -5.362 16.605 407 HE3 LYS 50 2HE LYS 50 2.188 -6.148 15.190 408 HZ1 LYS 50 3HZ LYS 50 3.874 -7.568 15.360 409 HZ2 LYS 50 1HZ LYS 50 4.725 -6.581 16.446 410 HZ3 LYS 50 2HZ LYS 50 4.868 -6.321 14.773 411 H ILE 51 H ILE 51 2.666 1.275 14.211 412 HA ILE 51 HA ILE 51 4.869 1.527 12.190 413 HB ILE 51 HB ILE 51 3.484 3.614 11.521 414 HG12 ILE 51 1HG1 ILE 51 1.391 2.047 13.057 415 HG13 ILE 51 2HG1 ILE 51 2.083 3.577 13.595 416 HG21 ILE 51 1HG2 ILE 51 2.019 2.221 10.113 417 HG22 ILE 51 2HG2 ILE 51 2.325 0.831 11.153 418 HG23 ILE 51 3HG2 ILE 51 3.636 1.522 10.197 419 HD11 ILE 51 3HD1 ILE 51 0.647 3.217 10.943 420 HD12 ILE 51 1HD1 ILE 51 1.194 4.733 11.656 421 HD13 ILE 51 2HD1 ILE 51 -0.124 3.829 12.400 422 H GLY 52 H GLY 52 4.650 2.006 15.319 423 HA2 GLY 52 1HA GLY 52 6.280 3.233 16.582 424 HA3 GLY 52 2HA GLY 52 6.481 4.336 15.225 425 H ILE 53 H ILE 53 3.250 4.204 15.383 426 HA ILE 53 HA ILE 53 3.119 6.710 16.896 427 HB ILE 53 HB ILE 53 0.987 5.041 15.550 428 HG12 ILE 53 1HG1 ILE 53 2.177 7.733 14.816 429 HG13 ILE 53 2HG1 ILE 53 2.709 6.202 14.121 430 HG21 ILE 53 1HG2 ILE 53 -0.382 7.184 15.852 431 HG22 ILE 53 2HG2 ILE 53 0.836 7.680 17.024 432 HG23 ILE 53 3HG2 ILE 53 -0.122 6.227 17.310 433 HD11 ILE 53 3HD1 ILE 53 0.022 7.547 13.844 434 HD12 ILE 53 1HD1 ILE 53 0.231 5.833 13.503 435 HD13 ILE 53 2HD1 ILE 53 1.121 7.029 12.570 436 H ASN 54 H ASN 54 2.407 6.966 18.969 437 HA ASN 54 HA ASN 54 2.134 4.601 20.637 438 HB2 ASN 54 1HB ASN 54 3.134 6.727 21.465 439 HB3 ASN 54 2HB ASN 54 1.563 7.509 21.292 440 HD21 ASN 54 2HD2 ASN 54 1.269 7.866 23.588 441 HD22 ASN 54 1HD2 ASN 54 1.013 6.585 24.670 442 H GLY 55 H GLY 55 0.297 3.475 19.965 443 HA2 GLY 55 1HA GLY 55 -2.199 4.175 21.078 444 HA3 GLY 55 2HA GLY 55 -2.227 4.684 19.389 445 H ASP 56 H ASP 56 -3.394 2.320 21.105 446 HA ASP 56 HA ASP 56 -2.432 0.043 19.473 447 HB2 ASP 56 1HB ASP 56 -4.009 -1.276 20.910 448 HB3 ASP 56 2HB ASP 56 -2.811 -0.390 21.854 449 H LYS 57 H LYS 57 -4.256 2.544 18.779 450 HA LYS 57 HA LYS 57 -6.782 1.435 18.004 451 HB2 LYS 57 1HB LYS 57 -5.341 3.775 16.729 452 HB3 LYS 57 2HB LYS 57 -7.067 3.431 16.641 453 HG2 LYS 57 1HG LYS 57 -5.632 3.882 19.260 454 HG3 LYS 57 2HG LYS 57 -6.367 5.193 18.347 455 HD2 LYS 57 1HD LYS 57 -8.562 4.012 18.467 456 HD3 LYS 57 2HD LYS 57 -7.811 2.754 19.444 457 HE2 LYS 57 1HE LYS 57 -7.221 4.377 21.163 458 HE3 LYS 57 2HE LYS 57 -7.897 5.682 20.191 459 HZ1 LYS 57 3HZ LYS 57 -9.367 3.381 21.357 460 HZ2 LYS 57 1HZ LYS 57 -10.052 4.501 20.283 461 HZ3 LYS 57 2HZ LYS 57 -9.501 5.013 21.807 462 H ARG 58 H ARG 58 -7.483 0.985 15.863 463 HA ARG 58 HA ARG 58 -5.409 -0.508 14.359 464 HB2 ARG 58 1HB ARG 58 -8.412 -0.640 14.141 465 HB3 ARG 58 2HB ARG 58 -7.240 -1.791 13.510 466 HG2 ARG 58 1HG ARG 58 -6.667 -2.625 15.624 467 HG3 ARG 58 2HG ARG 58 -7.214 -1.206 16.469 468 HD2 ARG 58 1HD ARG 58 -9.007 -2.519 17.006 469 HD3 ARG 58 2HD ARG 58 -9.581 -2.112 15.378 470 HE ARG 58 HE ARG 58 -8.766 -4.229 14.608 471 HH11 ARG 58 1HH2 ARG 58 -8.865 -3.992 18.032 472 HH12 ARG 58 2HH2 ARG 58 -7.891 -5.396 18.277 473 HH21 ARG 58 1HH1 ARG 58 -7.371 -5.983 14.919 474 HH22 ARG 58 2HH1 ARG 58 -7.046 -6.497 16.539 475 H VAL 59 H VAL 59 -4.856 0.006 12.336 476 HA VAL 59 HA VAL 59 -6.430 2.086 10.894 477 HB VAL 59 HB VAL 59 -4.247 3.161 10.316 478 HG11 VAL 59 1HG1 VAL 59 -4.055 4.312 12.452 479 HG12 VAL 59 2HG1 VAL 59 -4.759 2.935 13.299 480 HG13 VAL 59 3HG1 VAL 59 -5.754 3.898 12.207 481 HG21 VAL 59 3HG2 VAL 59 -2.885 1.064 10.860 482 HG22 VAL 59 1HG2 VAL 59 -3.152 1.433 12.564 483 HG23 VAL 59 2HG2 VAL 59 -2.243 2.554 11.553 484 H ASP 60 H ASP 60 -6.021 2.047 8.565 485 HA ASP 60 HA ASP 60 -5.229 -0.671 7.616 486 HB2 ASP 60 1HB ASP 60 -6.769 1.607 6.343 487 HB3 ASP 60 2HB ASP 60 -6.342 0.123 5.489 488 H VAL 61 H VAL 61 -3.494 -0.918 6.206 489 HA VAL 61 HA VAL 61 -2.069 1.568 5.324 490 HB VAL 61 HB VAL 61 0.074 0.505 5.908 491 HG11 VAL 61 1HG1 VAL 61 -0.032 0.920 8.248 492 HG12 VAL 61 2HG1 VAL 61 -1.725 0.432 8.337 493 HG13 VAL 61 3HG1 VAL 61 -1.283 1.944 7.545 494 HG21 VAL 61 3HG2 VAL 61 -0.573 -1.841 5.730 495 HG22 VAL 61 1HG2 VAL 61 -1.716 -1.658 7.060 496 HG23 VAL 61 2HG2 VAL 61 0.016 -1.534 7.360 497 H ILE 62 H ILE 62 -0.870 1.344 3.447 498 HA ILE 62 HA ILE 62 -1.162 -1.206 1.915 499 HB ILE 62 HB ILE 62 -1.450 0.258 -0.137 500 HG12 ILE 62 1HG1 ILE 62 -2.125 2.379 1.923 501 HG13 ILE 62 2HG1 ILE 62 -0.604 2.330 1.033 502 HG21 ILE 62 1HG2 ILE 62 -3.874 0.768 0.391 503 HG22 ILE 62 2HG2 ILE 62 -3.543 0.274 2.051 504 HG23 ILE 62 3HG2 ILE 62 -3.375 -0.887 0.734 505 HD11 ILE 62 3HD1 ILE 62 -2.346 3.836 0.006 506 HD12 ILE 62 1HD1 ILE 62 -3.320 2.399 -0.302 507 HD13 ILE 62 2HD1 ILE 62 -1.747 2.580 -1.078 508 H ASP 63 H ASP 63 0.543 -1.362 0.201 509 HA ASP 63 HA ASP 63 2.915 0.388 0.742 510 HB2 ASP 63 1HB ASP 63 3.131 -1.780 1.967 511 HB3 ASP 63 2HB ASP 63 3.014 -2.621 0.422 512 H LEU 64 H LEU 64 4.100 0.920 -1.037 513 HA LEU 64 HA LEU 64 3.387 -0.364 -3.631 514 HB2 LEU 64 1HB LEU 64 3.672 2.047 -4.604 515 HB3 LEU 64 2HB LEU 64 2.136 1.566 -3.894 516 HG LEU 64 HG LEU 64 3.113 2.583 -1.676 517 HD11 LEU 64 1HD1 LEU 64 4.834 3.900 -3.794 518 HD12 LEU 64 2HD1 LEU 64 5.404 2.912 -2.448 519 HD13 LEU 64 3HD1 LEU 64 4.662 4.479 -2.137 520 HD21 LEU 64 3HD2 LEU 64 2.297 4.824 -2.375 521 HD22 LEU 64 1HD2 LEU 64 1.224 3.522 -2.887 522 HD23 LEU 64 2HD2 LEU 64 2.313 4.274 -4.053 523 H LYS 65 H LYS 65 5.045 -0.069 -5.292 524 HA LYS 65 HA LYS 65 7.730 -0.245 -4.098 525 HB2 LYS 65 1HB LYS 65 7.013 -1.906 -5.775 526 HB3 LYS 65 2HB LYS 65 6.811 -0.617 -6.961 527 HG2 LYS 65 1HG LYS 65 9.202 -0.076 -6.825 528 HG3 LYS 65 2HG LYS 65 9.422 -1.299 -5.574 529 HD2 LYS 65 1HD LYS 65 8.707 -3.048 -7.164 530 HD3 LYS 65 2HD LYS 65 8.504 -1.820 -8.415 531 HE2 LYS 65 1HE LYS 65 11.112 -2.353 -6.967 532 HE3 LYS 65 2HE LYS 65 10.705 -3.014 -8.551 533 HZ1 LYS 65 3HZ LYS 65 10.311 -0.165 -8.291 534 HZ2 LYS 65 1HZ LYS 65 11.030 -1.052 -9.545 535 HZ3 LYS 65 2HZ LYS 65 11.930 -0.663 -8.157 536 H VAL 66 H VAL 66 9.373 1.212 -4.408 537 HA VAL 66 HA VAL 66 8.977 3.461 -6.321 538 HB VAL 66 HB VAL 66 9.769 5.064 -4.571 539 HG11 VAL 66 1HG1 VAL 66 7.303 4.551 -5.128 540 HG12 VAL 66 2HG1 VAL 66 7.628 5.361 -3.600 541 HG13 VAL 66 3HG1 VAL 66 7.283 3.634 -3.622 542 HG21 VAL 66 3HG2 VAL 66 9.642 4.328 -2.201 543 HG22 VAL 66 1HG2 VAL 66 10.867 3.427 -3.092 544 HG23 VAL 66 2HG2 VAL 66 9.308 2.684 -2.739 545 H GLN 67 H GLN 67 11.037 4.619 -6.723 546 HA GLN 67 HA GLN 67 13.236 2.699 -6.908 547 HB2 GLN 67 1HB GLN 67 12.585 5.398 -8.002 548 HB3 GLN 67 2HB GLN 67 14.300 5.038 -7.847 549 HG2 GLN 67 1HG GLN 67 13.987 2.969 -9.155 550 HG3 GLN 67 2HG GLN 67 12.266 3.322 -9.301 551 HE21 GLN 67 2HE2 GLN 67 12.677 6.245 -9.632 552 HE22 GLN 67 1HE2 GLN 67 13.322 6.460 -11.187 553 HA PRO 68 HA PRO 68 15.538 3.859 -3.325 554 HB2 PRO 68 1HB PRO 68 18.127 4.027 -4.327 555 HB3 PRO 68 2HB PRO 68 17.296 2.501 -3.965 556 HG2 PRO 68 1HG PRO 68 17.617 3.898 -6.589 557 HG3 PRO 68 2HG PRO 68 17.759 2.170 -6.208 558 HD2 PRO 68 1HD PRO 68 15.534 3.155 -7.358 559 HD3 PRO 68 2HD PRO 68 15.440 1.857 -6.148 560 H GLU 69 H GLU 69 15.785 5.861 -6.182 561 HA GLU 69 HA GLU 69 17.009 8.105 -4.699 562 HB2 GLU 69 1HB GLU 69 16.012 7.844 -7.552 563 HB3 GLU 69 2HB GLU 69 16.774 9.292 -6.895 564 HG2 GLU 69 1HG GLU 69 18.067 6.550 -6.948 565 HG3 GLU 69 2HG GLU 69 18.379 7.822 -8.130 566 H LEU 70 H LEU 70 13.868 7.071 -5.883 567 HA LEU 70 HA LEU 70 12.632 9.664 -5.138 568 HB2 LEU 70 1HB LEU 70 11.276 7.163 -6.179 569 HB3 LEU 70 2HB LEU 70 10.639 8.807 -6.180 570 HG LEU 70 HG LEU 70 13.101 7.915 -7.715 571 HD11 LEU 70 1HD1 LEU 70 10.836 6.991 -8.474 572 HD12 LEU 70 2HD1 LEU 70 11.753 7.898 -9.677 573 HD13 LEU 70 3HD1 LEU 70 10.398 8.659 -8.843 574 HD21 LEU 70 3HD2 LEU 70 13.306 10.244 -7.276 575 HD22 LEU 70 1HD2 LEU 70 11.576 10.518 -7.483 576 HD23 LEU 70 2HD2 LEU 70 12.590 10.167 -8.883 577 H VAL 71 H VAL 71 13.570 6.948 -3.531 578 HA VAL 71 HA VAL 71 11.280 6.286 -1.948 579 HB VAL 71 HB VAL 71 13.385 4.932 -2.103 580 HG11 VAL 71 1HG1 VAL 71 14.531 6.854 -0.074 581 HG12 VAL 71 2HG1 VAL 71 14.833 7.055 -1.798 582 HG13 VAL 71 3HG1 VAL 71 15.363 5.587 -0.977 583 HG21 VAL 71 3HG2 VAL 71 11.785 4.484 -0.331 584 HG22 VAL 71 1HG2 VAL 71 12.465 5.774 0.661 585 HG23 VAL 71 2HG2 VAL 71 13.417 4.328 0.319 586 H GLY 72 H GLY 72 13.684 8.839 -1.714 587 HA2 GLY 72 1HA GLY 72 12.848 9.652 0.967 588 HA3 GLY 72 2HA GLY 72 13.973 10.521 -0.075 589 H SER 73 H SER 73 11.704 10.183 -2.223 590 HA SER 73 HA SER 73 10.636 12.835 -1.879 591 HB2 SER 73 1HB SER 73 9.497 12.469 -3.926 592 HB3 SER 73 2HB SER 73 10.983 11.534 -4.067 593 HG SER 73 HG SER 73 8.521 10.666 -4.289 594 H LEU 74 H LEU 74 8.990 9.639 -1.749 595 HA LEU 74 HA LEU 74 6.622 10.925 -0.568 596 HB2 LEU 74 1HB LEU 74 5.510 8.845 -0.830 597 HB3 LEU 74 2HB LEU 74 6.536 9.009 -2.247 598 HG LEU 74 HG LEU 74 7.283 7.389 0.220 599 HD11 LEU 74 1HD1 LEU 74 5.448 6.266 -0.805 600 HD12 LEU 74 2HD1 LEU 74 6.897 5.455 -1.395 601 HD13 LEU 74 3HD1 LEU 74 6.049 6.609 -2.426 602 HD21 LEU 74 3HD2 LEU 74 8.938 6.436 -1.495 603 HD22 LEU 74 1HD2 LEU 74 9.270 8.063 -0.920 604 HD23 LEU 74 2HD2 LEU 74 8.535 7.824 -2.502 605 H ARG 75 H ARG 75 9.375 9.083 0.546 606 HA ARG 75 HA ARG 75 8.276 8.328 3.096 607 HB2 ARG 75 1HB ARG 75 10.269 7.260 2.067 608 HB3 ARG 75 2HB ARG 75 11.168 8.755 2.310 609 HG2 ARG 75 1HG ARG 75 10.847 8.583 4.736 610 HG3 ARG 75 2HG ARG 75 9.897 7.112 4.518 611 HD2 ARG 75 1HD ARG 75 11.876 6.051 3.419 612 HD3 ARG 75 2HD ARG 75 12.820 7.491 3.794 613 HE ARG 75 HE ARG 75 11.921 5.448 5.718 614 HH11 ARG 75 1HH2 ARG 75 13.205 8.603 5.124 615 HH12 ARG 75 2HH2 ARG 75 13.868 8.769 6.714 616 HH21 ARG 75 1HH1 ARG 75 12.769 5.664 7.790 617 HH22 ARG 75 2HH1 ARG 75 13.620 7.108 8.223 618 H LYS 76 H LYS 76 9.583 11.320 1.889 619 HA LYS 76 HA LYS 76 10.045 12.383 4.615 620 HB2 LYS 76 1HB LYS 76 10.940 14.324 3.536 621 HB3 LYS 76 2HB LYS 76 11.528 12.937 2.626 622 HG2 LYS 76 1HG LYS 76 10.730 14.044 0.784 623 HG3 LYS 76 2HG LYS 76 9.149 13.479 1.308 624 HD2 LYS 76 1HD LYS 76 8.830 15.573 2.590 625 HD3 LYS 76 2HD LYS 76 10.413 16.135 2.057 626 HE2 LYS 76 1HE LYS 76 9.661 16.017 -0.293 627 HE3 LYS 76 2HE LYS 76 8.077 15.463 0.244 628 HZ1 LYS 76 3HZ LYS 76 8.114 17.851 -0.177 629 HZ2 LYS 76 1HZ LYS 76 9.329 18.050 0.988 630 HZ3 LYS 76 2HZ LYS 76 7.785 17.517 1.456 631 H LYS 77 H LYS 77 7.439 12.010 2.520 632 HA LYS 77 HA LYS 77 6.092 14.521 3.165 633 HB2 LYS 77 1HB LYS 77 5.279 11.996 1.723 634 HB3 LYS 77 2HB LYS 77 4.116 13.277 2.061 635 HG2 LYS 77 1HG LYS 77 5.635 14.896 0.904 636 HG3 LYS 77 2HG LYS 77 6.687 13.547 0.477 637 HD2 LYS 77 1HD LYS 77 4.800 12.474 -0.720 638 HD3 LYS 77 2HD LYS 77 3.781 13.861 -0.329 639 HE2 LYS 77 1HE LYS 77 5.357 15.346 -1.534 640 HE3 LYS 77 2HE LYS 77 6.340 13.943 -1.956 641 HZ1 LYS 77 3HZ LYS 77 4.580 13.041 -3.229 642 HZ2 LYS 77 1HZ LYS 77 4.726 14.664 -3.695 643 HZ3 LYS 77 2HZ LYS 77 3.469 14.191 -2.655 644 HA PRO 78 HA PRO 78 4.248 13.183 6.980 645 HB2 PRO 78 1HB PRO 78 1.897 14.613 6.958 646 HB3 PRO 78 2HB PRO 78 3.482 15.349 7.269 647 HG2 PRO 78 1HG PRO 78 1.898 15.278 4.734 648 HG3 PRO 78 2HG PRO 78 2.801 16.622 5.460 649 HD2 PRO 78 1HD PRO 78 3.815 15.155 3.409 650 HD3 PRO 78 2HD PRO 78 4.853 15.847 4.675 651 H GLY 79 H GLY 79 2.822 11.590 7.738 652 HA2 GLY 79 1HA GLY 79 0.914 10.157 7.684 653 HA3 GLY 79 2HA GLY 79 0.531 10.760 6.075 654 H ILE 80 H ILE 80 3.565 10.207 5.497 655 HA ILE 80 HA ILE 80 3.094 7.443 4.543 656 HB ILE 80 HB ILE 80 5.326 9.437 4.059 657 HG12 ILE 80 1HG1 ILE 80 4.395 9.355 1.727 658 HG13 ILE 80 2HG1 ILE 80 3.084 8.345 2.328 659 HG21 ILE 80 1HG2 ILE 80 6.350 7.280 3.930 660 HG22 ILE 80 2HG2 ILE 80 5.999 7.749 2.268 661 HG23 ILE 80 3HG2 ILE 80 4.957 6.592 3.095 662 HD11 ILE 80 3HD1 ILE 80 3.607 10.964 3.700 663 HD12 ILE 80 1HD1 ILE 80 2.090 10.085 3.496 664 HD13 ILE 80 2HD1 ILE 80 2.786 10.972 2.142 665 H TYR 81 H TYR 81 3.908 5.691 5.631 666 HA TYR 81 HA TYR 81 5.998 6.197 7.712 667 HB2 TYR 81 1HB TYR 81 3.676 4.289 7.616 668 HB3 TYR 81 2HB TYR 81 5.032 4.044 8.725 669 HD1 TYR 81 HD2 TYR 81 2.622 6.654 7.581 670 HD2 TYR 81 HD1 TYR 81 5.061 5.196 10.799 671 HE1 TYR 81 HE2 TYR 81 1.693 8.402 9.073 672 HE2 TYR 81 HE1 TYR 81 4.138 6.948 12.293 673 HH TYR 81 HH TYR 81 2.393 9.605 11.136 674 HA PRO 82 HA PRO 82 8.657 3.690 5.040 675 HB2 PRO 82 1HB PRO 82 10.057 3.113 7.624 676 HB3 PRO 82 2HB PRO 82 10.727 3.692 6.083 677 HG2 PRO 82 1HG PRO 82 10.408 5.312 8.192 678 HG3 PRO 82 2HG PRO 82 10.194 5.877 6.528 679 HD2 PRO 82 1HD PRO 82 8.122 5.340 8.600 680 HD3 PRO 82 2HD PRO 82 8.113 6.485 7.237 681 H ALA 83 H ALA 83 8.822 1.458 4.599 682 HA ALA 83 HA ALA 83 6.871 -0.280 5.721 683 HB1 ALA 83 3HB ALA 83 9.357 -0.816 4.085 684 HB2 ALA 83 1HB ALA 83 7.685 -0.760 3.525 685 HB3 ALA 83 2HB ALA 83 8.230 -2.092 4.546 686 H TYR 84 H TYR 84 6.970 -1.828 7.334 687 HA TYR 84 HA TYR 84 9.373 -1.757 9.100 688 HB2 TYR 84 1HB TYR 84 7.938 -2.739 10.799 689 HB3 TYR 84 2HB TYR 84 7.095 -1.364 10.089 690 HD1 TYR 84 HD1 TYR 84 7.292 -5.060 10.200 691 HD2 TYR 84 HD2 TYR 84 5.103 -1.660 8.751 692 HE1 TYR 84 HE1 TYR 84 5.404 -6.542 9.573 693 HE2 TYR 84 HE2 TYR 84 3.217 -3.142 8.122 694 HH TYR 84 HH TYR 84 3.399 -6.262 7.681 695 H HIS 85 H HIS 85 8.327 -3.489 6.524 696 HA HIS 85 HA HIS 85 8.605 -6.213 7.371 697 HB2 HIS 85 1HB HIS 85 8.990 -4.900 4.671 698 HB3 HIS 85 2HB HIS 85 9.017 -6.646 4.921 699 HD1 HIS 85 HD1 HIS 85 6.711 -3.673 5.018 700 HD2 HIS 85 HD2 HIS 85 6.486 -7.815 5.433 701 HE1 HIS 85 HE1 HIS 85 4.248 -4.263 4.985 702 H MET 86 H MET 86 10.461 -7.521 6.050 703 HA MET 86 HA MET 86 12.909 -6.976 7.428 704 HB2 MET 86 1HB MET 86 12.211 -8.764 5.092 705 HB3 MET 86 2HB MET 86 13.844 -8.684 5.755 706 HG2 MET 86 1HG MET 86 12.944 -9.280 7.990 707 HG3 MET 86 2HG MET 86 11.333 -9.420 7.290 708 HE1 MET 86 3HE MET 86 11.797 -10.966 4.412 709 HE2 MET 86 1HE MET 86 10.563 -10.909 5.678 710 HE3 MET 86 2HE MET 86 11.257 -12.450 5.188 711 H ASN 87 H ASN 87 11.874 -6.336 4.078 712 HA ASN 87 HA ASN 87 14.453 -4.941 3.553 713 HB2 ASN 87 1HB ASN 87 12.149 -5.763 1.768 714 HB3 ASN 87 2HB ASN 87 13.513 -4.797 1.205 715 HD21 ASN 87 2HD2 ASN 87 12.882 -7.523 0.284 716 HD22 ASN 87 1HD2 ASN 87 14.199 -8.500 0.719 717 H LYS 88 H LYS 88 14.571 -2.738 3.314 718 HA LYS 88 HA LYS 88 12.048 -1.155 3.218 719 HB2 LYS 88 1HB LYS 88 12.947 -1.456 5.622 720 HB3 LYS 88 2HB LYS 88 14.285 -0.427 5.114 721 HG2 LYS 88 1HG LYS 88 12.760 1.378 4.554 722 HG3 LYS 88 2HG LYS 88 11.364 0.346 4.855 723 HD2 LYS 88 1HD LYS 88 11.672 1.714 6.806 724 HD3 LYS 88 2HD LYS 88 12.164 0.082 7.231 725 HE2 LYS 88 1HE LYS 88 14.460 0.637 7.171 726 HE3 LYS 88 2HE LYS 88 14.171 2.113 6.250 727 HZ1 LYS 88 3HZ LYS 88 14.614 2.310 8.744 728 HZ2 LYS 88 1HZ LYS 88 13.027 1.750 8.946 729 HZ3 LYS 88 2HZ LYS 88 13.315 3.193 8.097 730 H GLU 89 H GLU 89 13.069 -1.128 0.956 731 HA GLU 89 HA GLU 89 14.742 1.322 0.740 732 HB2 GLU 89 1HB GLU 89 15.392 -1.349 -0.546 733 HB3 GLU 89 2HB GLU 89 16.123 0.178 -1.038 734 HG2 GLU 89 1HG GLU 89 17.022 0.500 1.226 735 HG3 GLU 89 2HG GLU 89 16.257 -0.997 1.755 736 H HIS 90 H HIS 90 13.160 -1.246 -1.199 737 HA HIS 90 HA HIS 90 12.256 0.842 -3.129 738 HB2 HIS 90 1HB HIS 90 12.292 -2.184 -3.240 739 HB3 HIS 90 2HB HIS 90 11.566 -1.172 -4.488 740 HD1 HIS 90 HD1 HIS 90 14.908 -1.924 -2.877 741 HD2 HIS 90 HD2 HIS 90 13.403 0.032 -6.237 742 HE1 HIS 90 HE1 HIS 90 16.904 -1.351 -4.327 743 H TRP 91 H TRP 91 11.095 -1.057 -0.507 744 HA TRP 91 HA TRP 91 8.247 -0.666 -1.367 745 HB2 TRP 91 1HB TRP 91 9.266 -2.389 0.901 746 HB3 TRP 91 2HB TRP 91 7.678 -2.436 0.139 747 HD1 TRP 91 HD1 TRP 91 7.389 -3.901 -1.957 748 HE1 TRP 91 HE1 TRP 91 8.965 -5.390 -3.353 749 HE3 TRP 91 HE3 TRP 91 11.887 -2.571 0.066 750 HZ2 TRP 91 HZ2 TRP 91 11.760 -5.941 -3.585 751 HZ3 TRP 91 HZ3 TRP 91 13.988 -3.592 -0.762 752 HH2 TRP 91 HH2 TRP 91 13.931 -5.275 -2.582 753 H ILE 92 H ILE 92 7.195 0.991 -0.424 754 HA ILE 92 HA ILE 92 7.991 1.848 2.346 755 HB ILE 92 HB ILE 92 7.113 3.608 0.032 756 HG12 ILE 92 1HG1 ILE 92 9.439 2.873 -0.209 757 HG13 ILE 92 2HG1 ILE 92 9.390 4.576 0.233 758 HG21 ILE 92 1HG2 ILE 92 7.771 5.436 1.712 759 HG22 ILE 92 2HG2 ILE 92 7.682 4.174 2.942 760 HG23 ILE 92 3HG2 ILE 92 6.247 4.596 2.004 761 HD11 ILE 92 3HD1 ILE 92 9.559 3.536 2.715 762 HD12 ILE 92 1HD1 ILE 92 10.985 3.862 1.739 763 HD13 ILE 92 2HD1 ILE 92 10.333 2.234 1.821 764 H THR 93 H THR 93 6.276 2.089 3.772 765 HA THR 93 HA THR 93 3.609 1.293 2.741 766 HB THR 93 HB THR 93 4.736 1.521 5.540 767 HG1 THR 93 HG1 THR 93 5.206 -0.285 4.012 768 HG21 THR 93 3HG2 THR 93 1.943 0.925 4.553 769 HG22 THR 93 1HG2 THR 93 2.441 2.086 5.784 770 HG23 THR 93 2HG2 THR 93 2.517 0.356 6.120 771 H VAL 94 H VAL 94 1.783 2.564 2.953 772 HA VAL 94 HA VAL 94 2.192 5.402 3.844 773 HB VAL 94 HB VAL 94 0.523 4.298 1.564 774 HG11 VAL 94 1HG1 VAL 94 0.543 7.009 2.892 775 HG12 VAL 94 2HG1 VAL 94 -0.841 5.976 2.539 776 HG13 VAL 94 3HG1 VAL 94 0.005 6.796 1.227 777 HG21 VAL 94 3HG2 VAL 94 1.930 6.076 0.326 778 HG22 VAL 94 1HG2 VAL 94 2.758 4.601 0.824 779 HG23 VAL 94 2HG2 VAL 94 2.958 6.081 1.759 780 H LEU 95 H LEU 95 0.686 6.159 5.304 781 HA LEU 95 HA LEU 95 -1.180 4.181 6.431 782 HB2 LEU 95 1HB LEU 95 0.233 5.639 7.873 783 HB3 LEU 95 2HB LEU 95 -0.619 7.048 7.247 784 HG LEU 95 HG LEU 95 -2.754 6.122 8.121 785 HD11 LEU 95 1HD1 LEU 95 -2.589 3.812 8.262 786 HD12 LEU 95 2HD1 LEU 95 -2.262 4.232 9.940 787 HD13 LEU 95 3HD1 LEU 95 -0.929 3.852 8.855 788 HD21 LEU 95 3HD2 LEU 95 -2.319 6.654 10.433 789 HD22 LEU 95 1HD2 LEU 95 -1.239 7.653 9.459 790 HD23 LEU 95 2HD2 LEU 95 -0.618 6.216 10.270 791 H LEU 96 H LEU 96 -3.161 3.987 5.504 792 HA LEU 96 HA LEU 96 -4.367 5.984 3.832 793 HB2 LEU 96 1HB LEU 96 -5.385 3.497 5.207 794 HB3 LEU 96 2HB LEU 96 -6.494 4.549 4.328 795 HG LEU 96 HG LEU 96 -3.957 3.637 2.974 796 HD11 LEU 96 1HD1 LEU 96 -6.461 2.002 3.423 797 HD12 LEU 96 2HD1 LEU 96 -4.784 1.526 3.693 798 HD13 LEU 96 3HD1 LEU 96 -5.393 1.714 2.049 799 HD21 LEU 96 3HD2 LEU 96 -6.727 3.962 1.799 800 HD22 LEU 96 1HD2 LEU 96 -5.167 4.066 0.982 801 HD23 LEU 96 2HD2 LEU 96 -5.688 5.358 2.060 802 H ASN 97 H ASN 97 -4.761 5.120 7.249 803 HA ASN 97 HA ASN 97 -6.876 7.019 7.754 804 HB2 ASN 97 1HB ASN 97 -4.944 5.519 9.527 805 HB3 ASN 97 2HB ASN 97 -6.104 6.672 10.189 806 HD21 ASN 97 2HD2 ASN 97 -5.729 3.440 8.982 807 HD22 ASN 97 1HD2 ASN 97 -7.365 2.997 9.061 808 H GLY 98 H GLY 98 -3.838 7.590 6.760 809 HA2 GLY 98 1HA GLY 98 -2.887 9.581 8.603 810 HA3 GLY 98 2HA GLY 98 -2.350 9.395 6.934 811 HA PRO 99 HA PRO 99 -5.128 13.206 7.409 812 HB2 PRO 99 1HB PRO 99 -3.250 15.163 7.356 813 HB3 PRO 99 2HB PRO 99 -3.675 14.314 8.859 814 HG2 PRO 99 1HG PRO 99 -1.354 13.854 7.025 815 HG3 PRO 99 2HG PRO 99 -1.382 13.942 8.797 816 HD2 PRO 99 1HD PRO 99 -1.367 11.562 7.432 817 HD3 PRO 99 2HD PRO 99 -2.128 11.753 9.026 818 H LEU 100 H LEU 100 -2.937 11.908 5.200 819 HA LEU 100 HA LEU 100 -2.983 13.972 3.180 820 HB2 LEU 100 1HB LEU 100 -2.196 12.116 1.669 821 HB3 LEU 100 2HB LEU 100 -1.195 12.382 3.090 822 HG LEU 100 HG LEU 100 -3.390 10.417 3.524 823 HD11 LEU 100 1HD1 LEU 100 -1.097 9.711 1.672 824 HD12 LEU 100 2HD1 LEU 100 -2.779 9.893 1.180 825 HD13 LEU 100 3HD1 LEU 100 -2.322 8.600 2.289 826 HD21 LEU 100 3HD2 LEU 100 -0.385 10.317 3.964 827 HD22 LEU 100 1HD2 LEU 100 -1.552 9.148 4.583 828 HD23 LEU 100 2HD2 LEU 100 -1.581 10.810 5.160 829 H GLY 101 H GLY 101 -4.220 14.021 1.244 830 HA2 GLY 101 1HA GLY 101 -6.935 12.934 1.564 831 HA3 GLY 101 2HA GLY 101 -6.414 14.080 0.333 832 H ALA 102 H ALA 102 -8.012 12.102 -0.507 833 HA ALA 102 HA ALA 102 -6.755 9.668 -1.327 834 HB1 ALA 102 3HB ALA 102 -9.252 10.211 -1.311 835 HB2 ALA 102 1HB ALA 102 -8.664 9.356 -2.738 836 HB3 ALA 102 2HB ALA 102 -8.972 11.091 -2.815 837 H LYS 103 H LYS 103 -6.973 12.864 -2.830 838 HA LYS 103 HA LYS 103 -5.951 12.152 -5.393 839 HB2 LYS 103 1HB LYS 103 -5.409 14.531 -5.630 840 HB3 LYS 103 2HB LYS 103 -6.983 14.354 -4.857 841 HG2 LYS 103 1HG LYS 103 -5.871 14.617 -2.630 842 HG3 LYS 103 2HG LYS 103 -4.349 14.930 -3.466 843 HD2 LYS 103 1HD LYS 103 -5.452 16.832 -4.661 844 HD3 LYS 103 2HD LYS 103 -6.887 16.569 -3.666 845 HE2 LYS 103 1HE LYS 103 -4.122 17.122 -2.552 846 HE3 LYS 103 2HE LYS 103 -5.372 18.349 -2.759 847 HZ1 LYS 103 3HZ LYS 103 -5.043 16.780 -0.571 848 HZ2 LYS 103 1HZ LYS 103 -6.306 16.004 -1.396 849 HZ3 LYS 103 2HZ LYS 103 -6.453 17.640 -0.964 850 H GLU 104 H GLU 104 -4.339 12.919 -2.339 851 HA GLU 104 HA GLU 104 -1.679 13.059 -3.381 852 HB2 GLU 104 1HB GLU 104 -2.431 13.864 -1.125 853 HB3 GLU 104 2HB GLU 104 -2.588 12.180 -0.629 854 HG2 GLU 104 1HG GLU 104 -0.444 12.938 0.113 855 HG3 GLU 104 2HG GLU 104 -0.158 11.871 -1.256 856 H ILE 105 H ILE 105 -3.676 10.383 -2.158 857 HA ILE 105 HA ILE 105 -1.620 8.389 -2.184 858 HB ILE 105 HB ILE 105 -4.578 7.996 -2.724 859 HG12 ILE 105 1HG1 ILE 105 -3.074 7.958 -0.090 860 HG13 ILE 105 2HG1 ILE 105 -4.091 9.290 -0.640 861 HG21 ILE 105 1HG2 ILE 105 -3.176 6.032 -3.224 862 HG22 ILE 105 2HG2 ILE 105 -4.152 5.747 -1.785 863 HG23 ILE 105 3HG2 ILE 105 -2.441 6.142 -1.625 864 HD11 ILE 105 3HD1 ILE 105 -4.916 6.485 0.103 865 HD12 ILE 105 1HD1 ILE 105 -5.948 7.508 -0.894 866 HD13 ILE 105 2HD1 ILE 105 -5.523 8.014 0.740 867 H HIS 106 H HIS 106 -3.952 9.401 -4.677 868 HA HIS 106 HA HIS 106 -3.248 7.491 -6.654 869 HB2 HIS 106 1HB HIS 106 -4.158 10.364 -7.001 870 HB3 HIS 106 2HB HIS 106 -4.154 9.144 -8.274 871 HD1 HIS 106 HD1 HIS 106 -6.826 10.397 -7.427 872 HD2 HIS 106 HD2 HIS 106 -5.306 6.903 -5.733 873 HE1 HIS 106 HE1 HIS 106 -8.803 9.157 -6.444 874 H SER 107 H SER 107 -1.860 10.702 -5.965 875 HA SER 107 HA SER 107 -0.052 10.778 -8.159 876 HB2 SER 107 1HB SER 107 0.257 11.953 -5.383 877 HB3 SER 107 2HB SER 107 1.227 12.398 -6.784 878 HG SER 107 HG SER 107 -1.368 13.055 -6.116 879 H LEU 108 H LEU 108 0.409 9.520 -4.848 880 HA LEU 108 HA LEU 108 3.145 8.767 -5.200 881 HB2 LEU 108 1HB LEU 108 0.996 7.625 -3.394 882 HB3 LEU 108 2HB LEU 108 2.710 7.245 -3.257 883 HG LEU 108 HG LEU 108 1.556 10.045 -3.093 884 HD11 LEU 108 1HD1 LEU 108 2.433 8.121 -0.922 885 HD12 LEU 108 2HD1 LEU 108 0.810 8.763 -1.177 886 HD13 LEU 108 3HD1 LEU 108 2.110 9.835 -0.655 887 HD21 LEU 108 3HD2 LEU 108 4.329 8.891 -2.951 888 HD22 LEU 108 1HD2 LEU 108 3.953 10.286 -1.939 889 HD23 LEU 108 2HD2 LEU 108 3.779 10.395 -3.687 890 H ILE 109 H ILE 109 0.125 6.937 -5.651 891 HA ILE 109 HA ILE 109 1.393 4.471 -6.373 892 HB ILE 109 HB ILE 109 -1.345 5.590 -7.039 893 HG12 ILE 109 1HG1 ILE 109 -0.534 3.420 -5.087 894 HG13 ILE 109 2HG1 ILE 109 -0.698 5.115 -4.624 895 HG21 ILE 109 1HG2 ILE 109 -0.918 3.935 -8.707 896 HG22 ILE 109 2HG2 ILE 109 -1.853 3.112 -7.460 897 HG23 ILE 109 3HG2 ILE 109 -0.109 2.875 -7.552 898 HD11 ILE 109 3HD1 ILE 109 -2.782 3.915 -4.150 899 HD12 ILE 109 1HD1 ILE 109 -2.873 3.376 -5.826 900 HD13 ILE 109 2HD1 ILE 109 -3.044 5.089 -5.440 901 H GLU 110 H GLU 110 0.214 7.211 -8.325 902 HA GLU 110 HA GLU 110 0.625 6.158 -10.895 903 HB2 GLU 110 1HB GLU 110 -0.349 8.405 -10.420 904 HB3 GLU 110 2HB GLU 110 1.260 8.982 -9.984 905 HG2 GLU 110 1HG GLU 110 2.077 8.465 -12.248 906 HG3 GLU 110 2HG GLU 110 0.482 7.853 -12.690 907 H ASP 111 H ASP 111 2.983 7.646 -8.683 908 HA ASP 111 HA ASP 111 5.219 7.544 -10.464 909 HB2 ASP 111 1HB ASP 111 5.027 7.439 -7.441 910 HB3 ASP 111 2HB ASP 111 6.562 7.523 -8.304 911 H SER 112 H SER 112 3.980 5.221 -8.072 912 HA SER 112 HA SER 112 6.017 3.249 -8.419 913 HB2 SER 112 1HB SER 112 4.626 3.039 -6.508 914 HB3 SER 112 2HB SER 112 3.157 3.105 -7.476 915 HG SER 112 HG SER 112 5.030 1.024 -7.179 916 H PHE 113 H PHE 113 2.882 3.682 -10.046 917 HA PHE 113 HA PHE 113 2.878 1.274 -11.532 918 HB2 PHE 113 1HB PHE 113 0.925 2.746 -11.392 919 HB3 PHE 113 2HB PHE 113 1.776 3.986 -12.314 920 HD1 PHE 113 HD1 PHE 113 0.663 0.418 -12.497 921 HD2 PHE 113 HD2 PHE 113 1.685 3.978 -14.674 922 HE1 PHE 113 HE1 PHE 113 -0.068 -0.661 -14.606 923 HE2 PHE 113 HE2 PHE 113 0.956 2.897 -16.783 924 HZ PHE 113 HZ PHE 113 0.079 0.578 -16.749 925 H GLN 114 H GLN 114 4.242 4.455 -12.441 926 HA GLN 114 HA GLN 114 5.065 3.702 -15.055 927 HB2 GLN 114 1HB GLN 114 6.212 5.729 -13.124 928 HB3 GLN 114 2HB GLN 114 6.734 5.579 -14.803 929 HG2 GLN 114 1HG GLN 114 4.450 6.004 -15.581 930 HG3 GLN 114 2HG GLN 114 3.879 6.086 -13.914 931 HE21 GLN 114 2HE2 GLN 114 4.933 8.009 -16.476 932 HE22 GLN 114 1HE2 GLN 114 5.366 9.394 -15.596 933 H LEU 115 H LEU 115 6.726 3.370 -11.933 934 HA LEU 115 HA LEU 115 9.245 2.513 -12.977 935 HB2 LEU 115 1HB LEU 115 7.870 1.851 -10.358 936 HB3 LEU 115 2HB LEU 115 9.560 1.493 -10.709 937 HG LEU 115 HG LEU 115 8.337 4.268 -10.819 938 HD11 LEU 115 1HD1 LEU 115 8.304 3.655 -8.535 939 HD12 LEU 115 2HD1 LEU 115 9.797 4.570 -8.725 940 HD13 LEU 115 3HD1 LEU 115 9.846 2.809 -8.648 941 HD21 LEU 115 3HD2 LEU 115 10.941 4.754 -10.588 942 HD22 LEU 115 1HD2 LEU 115 10.230 4.429 -12.164 943 HD23 LEU 115 2HD2 LEU 115 11.087 3.151 -11.306 944 H THR 116 H THR 116 6.322 0.704 -12.097 945 HA THR 116 HA THR 116 7.588 -1.833 -12.977 946 HB THR 116 HB THR 116 5.712 -2.920 -11.974 947 HG1 THR 116 HG1 THR 116 4.349 -0.602 -11.355 948 HG21 THR 116 3HG2 THR 116 6.055 -0.481 -10.232 949 HG22 THR 116 1HG2 THR 116 7.374 -1.629 -10.462 950 HG23 THR 116 2HG2 THR 116 5.858 -2.160 -9.738 951 H ARG 117 H ARG 117 6.519 0.596 -14.661 952 HA ARG 117 HA ARG 117 4.323 -0.048 -16.226 953 HB2 ARG 117 1HB ARG 117 5.730 1.985 -16.504 954 HB3 ARG 117 2HB ARG 117 6.973 0.995 -17.267 955 HG2 ARG 117 1HG ARG 117 5.392 0.360 -19.044 956 HG3 ARG 117 2HG ARG 117 4.133 1.327 -18.276 957 HD2 ARG 117 1HD ARG 117 6.784 2.450 -19.217 958 HD3 ARG 117 2HD ARG 117 5.299 2.508 -20.166 959 HE ARG 117 HE ARG 117 4.746 3.611 -17.605 960 HH11 ARG 117 1HH2 ARG 117 6.609 4.178 -20.447 961 HH12 ARG 117 2HH2 ARG 117 6.583 5.902 -20.283 962 HH21 ARG 117 1HH1 ARG 117 4.700 5.861 -17.372 963 HH22 ARG 117 2HH1 ARG 117 5.502 6.855 -18.542 964 H LEU 118 H LEU 118 3.906 -1.454 -17.934 965 HA LEU 118 HA LEU 118 5.424 -3.898 -18.044 966 HB2 LEU 118 1HB LEU 118 3.352 -2.871 -20.004 967 HB3 LEU 118 2HB LEU 118 3.875 -4.545 -19.818 968 HG LEU 118 HG LEU 118 2.509 -2.882 -17.679 969 HD11 LEU 118 1HD1 LEU 118 1.523 -5.124 -19.465 970 HD12 LEU 118 2HD1 LEU 118 0.942 -3.459 -19.433 971 HD13 LEU 118 3HD1 LEU 118 0.641 -4.524 -18.060 972 HD21 LEU 118 3HD2 LEU 118 3.805 -4.432 -16.481 973 HD22 LEU 118 1HD2 LEU 118 3.679 -5.664 -17.736 974 HD23 LEU 118 2HD2 LEU 118 2.299 -5.318 -16.694 975 H GLU 119 H GLU 119 6.761 -4.680 -19.696 976 HA GLU 119 HA GLU 119 8.333 -2.677 -21.085 977 HB2 GLU 119 1HB GLU 119 9.496 -4.700 -22.071 978 HB3 GLU 119 2HB GLU 119 9.497 -4.631 -20.310 979 HG2 GLU 119 1HG GLU 119 7.316 -6.109 -21.786 980 HG3 GLU 119 2HG GLU 119 8.868 -6.883 -21.469 981 H HIS 120 H HIS 120 5.684 -2.453 -21.921 982 HA HIS 120 HA HIS 120 4.409 -2.253 -23.868 983 HB2 HIS 120 1HB HIS 120 6.622 -1.328 -24.690 984 HB3 HIS 120 2HB HIS 120 6.957 -2.926 -25.356 985 HD1 HIS 120 HD1 HIS 120 5.285 -3.807 -27.223 986 HD2 HIS 120 HD2 HIS 120 4.812 0.205 -26.192 987 HE1 HIS 120 HE1 HIS 120 3.859 -2.765 -29.038 988 H HIS 121 H HIS 121 3.642 -3.505 -25.824 989 HA HIS 121 HA HIS 121 3.387 -6.328 -25.087 990 HB2 HIS 121 1HB HIS 121 2.231 -4.698 -27.368 991 HB3 HIS 121 2HB HIS 121 1.832 -6.389 -27.057 992 HD1 HIS 121 HD1 HIS 121 1.230 -2.927 -25.798 993 HD2 HIS 121 HD2 HIS 121 0.319 -6.827 -24.645 994 HE1 HIS 121 HE1 HIS 121 -0.508 -2.745 -23.964 995 H HIS 122 H HIS 122 4.008 -8.101 -26.439 996 HA HIS 122 HA HIS 122 6.446 -7.585 -27.999 997 HB2 HIS 122 1HB HIS 122 6.625 -10.028 -28.115 998 HB3 HIS 122 2HB HIS 122 6.311 -9.520 -26.457 999 HD1 HIS 122 HD1 HIS 122 3.964 -10.030 -25.465 1000 HD2 HIS 122 HD2 HIS 122 4.487 -11.445 -29.350 1001 HE1 HIS 122 HE1 HIS 122 2.033 -11.604 -25.920 1002 H HIS 123 H HIS 123 6.671 -8.731 -30.172 1003 HA HIS 123 HA HIS 123 4.523 -7.828 -31.912 1004 HB2 HIS 123 1HB HIS 123 7.067 -9.374 -32.467 1005 HB3 HIS 123 2HB HIS 123 5.978 -8.778 -33.720 1006 HD1 HIS 123 HD1 HIS 123 5.516 -6.075 -33.584 1007 HD2 HIS 123 HD2 HIS 123 8.929 -7.491 -31.653 1008 HE1 HIS 123 HE1 HIS 123 7.004 -4.063 -33.195 1009 H HIS 124 H HIS 124 2.779 -8.985 -32.474 1010 HA HIS 124 HA HIS 124 2.396 -11.720 -31.655 1011 HB2 HIS 124 1HB HIS 124 0.861 -9.920 -33.546 1012 HB3 HIS 124 2HB HIS 124 0.331 -11.547 -33.117 1013 HD1 HIS 124 HD1 HIS 124 -0.335 -11.967 -30.610 1014 HD2 HIS 124 HD2 HIS 124 0.505 -7.985 -31.516 1015 HE1 HIS 124 HE1 HIS 124 -1.187 -10.593 -28.661 1016 H HIS 125 H HIS 125 3.271 -10.198 -34.741 1017 HA HIS 125 HA HIS 125 4.001 -11.145 -36.758 1018 HB2 HIS 125 1HB HIS 125 4.979 -13.221 -34.776 1019 HB3 HIS 125 2HB HIS 125 5.398 -13.235 -36.487 1020 HD1 HIS 125 HD1 HIS 125 6.374 -10.729 -37.316 1021 HD2 HIS 125 HD2 HIS 125 6.809 -11.780 -33.306 1022 HE1 HIS 125 HE1 HIS 125 8.201 -9.246 -36.382 Start of MODEL 16 1 H1 MET 1 1H MET 1 -8.991 8.349 2.034 2 H2 MET 1 2H MET 1 -10.394 8.814 1.198 3 H3 MET 1 3H MET 1 -8.864 9.112 0.525 4 HA MET 1 HA MET 1 -10.279 7.105 -0.288 5 HB2 MET 1 1HB MET 1 -7.963 7.703 -0.997 6 HB3 MET 1 2HB MET 1 -7.337 6.822 0.397 7 HG2 MET 1 1HG MET 1 -8.422 4.758 -0.430 8 HG3 MET 1 2HG MET 1 -9.024 5.641 -1.831 9 HE1 MET 1 3HE MET 1 -7.717 5.407 -4.107 10 HE2 MET 1 1HE MET 1 -6.195 6.306 -4.082 11 HE3 MET 1 2HE MET 1 -7.637 6.990 -3.338 12 H ASN 2 H ASN 2 -11.303 5.368 0.525 13 HA ASN 2 HA ASN 2 -10.635 4.441 3.256 14 HB2 ASN 2 1HB ASN 2 -12.996 4.935 2.571 15 HB3 ASN 2 2HB ASN 2 -12.906 3.576 1.450 16 HD21 ASN 2 2HD2 ASN 2 -14.368 2.158 2.554 17 HD22 ASN 2 1HD2 ASN 2 -14.061 1.546 4.107 18 H ARG 3 H ARG 3 -10.689 2.066 3.652 19 HA ARG 3 HA ARG 3 -8.703 0.696 2.125 20 HB2 ARG 3 1HB ARG 3 -9.269 0.251 4.525 21 HB3 ARG 3 2HB ARG 3 -10.780 -0.483 3.994 22 HG2 ARG 3 1HG ARG 3 -9.501 -2.137 2.664 23 HG3 ARG 3 2HG ARG 3 -7.997 -1.418 3.239 24 HD2 ARG 3 1HD ARG 3 -8.464 -3.343 4.632 25 HD3 ARG 3 2HD ARG 3 -8.762 -1.901 5.598 26 HE ARG 3 HE ARG 3 -11.189 -2.710 4.318 27 HH11 ARG 3 1HH2 ARG 3 -8.949 -3.598 6.794 28 HH12 ARG 3 2HH2 ARG 3 -10.134 -4.428 7.748 29 HH21 ARG 3 1HH1 ARG 3 -12.738 -3.795 5.556 30 HH22 ARG 3 2HH1 ARG 3 -12.274 -4.539 7.048 31 H GLN 4 H GLN 4 -12.256 0.408 2.181 32 HA GLN 4 HA GLN 4 -12.411 -1.777 0.332 33 HB2 GLN 4 1HB GLN 4 -14.277 -0.999 1.828 34 HB3 GLN 4 2HB GLN 4 -14.463 0.408 0.782 35 HG2 GLN 4 1HG GLN 4 -16.074 -1.274 0.098 36 HG3 GLN 4 2HG GLN 4 -14.837 -1.150 -1.152 37 HE21 GLN 4 2HE2 GLN 4 -14.708 -3.295 -1.921 38 HE22 GLN 4 1HE2 GLN 4 -14.390 -4.638 -0.935 39 H GLN 5 H GLN 5 -12.420 1.745 -0.119 40 HA GLN 5 HA GLN 5 -12.985 1.726 -2.928 41 HB2 GLN 5 1HB GLN 5 -11.447 3.699 -1.216 42 HB3 GLN 5 2HB GLN 5 -11.910 4.000 -2.890 43 HG2 GLN 5 1HG GLN 5 -13.872 3.335 -0.676 44 HG3 GLN 5 2HG GLN 5 -13.516 4.972 -1.227 45 HE21 GLN 5 2HE2 GLN 5 -15.850 2.723 -1.570 46 HE22 GLN 5 1HE2 GLN 5 -16.318 3.000 -3.179 47 H PHE 6 H PHE 6 -9.963 1.515 -1.093 48 HA PHE 6 HA PHE 6 -8.151 1.719 -3.282 49 HB2 PHE 6 1HB PHE 6 -7.457 1.798 -0.903 50 HB3 PHE 6 2HB PHE 6 -7.869 0.090 -0.740 51 HD1 PHE 6 HD1 PHE 6 -5.577 2.502 -2.359 52 HD2 PHE 6 HD2 PHE 6 -6.465 -1.643 -1.661 53 HE1 PHE 6 HE1 PHE 6 -3.345 1.876 -3.241 54 HE2 PHE 6 HE2 PHE 6 -4.232 -2.269 -2.544 55 HZ PHE 6 HZ PHE 6 -2.674 -0.509 -3.334 56 H ILE 7 H ILE 7 -9.705 -1.120 -1.799 57 HA ILE 7 HA ILE 7 -8.496 -3.084 -3.491 58 HB ILE 7 HB ILE 7 -11.138 -3.064 -2.000 59 HG12 ILE 7 1HG1 ILE 7 -8.522 -4.464 -1.363 60 HG13 ILE 7 2HG1 ILE 7 -8.980 -2.899 -0.691 61 HG21 ILE 7 1HG2 ILE 7 -10.884 -5.607 -2.253 62 HG22 ILE 7 2HG2 ILE 7 -9.723 -5.254 -3.532 63 HG23 ILE 7 3HG2 ILE 7 -11.396 -4.720 -3.688 64 HD11 ILE 7 3HD1 ILE 7 -10.953 -3.870 0.356 65 HD12 ILE 7 1HD1 ILE 7 -9.536 -4.809 0.825 66 HD13 ILE 7 2HD1 ILE 7 -10.632 -5.426 -0.410 67 H ASP 8 H ASP 8 -11.550 -1.287 -3.747 68 HA ASP 8 HA ASP 8 -12.493 -2.539 -6.141 69 HB2 ASP 8 1HB ASP 8 -13.913 -1.167 -4.654 70 HB3 ASP 8 2HB ASP 8 -12.990 0.267 -5.105 71 H TYR 9 H TYR 9 -10.506 0.350 -5.593 72 HA TYR 9 HA TYR 9 -10.337 1.206 -8.310 73 HB2 TYR 9 1HB TYR 9 -9.641 2.652 -6.472 74 HB3 TYR 9 2HB TYR 9 -8.368 1.516 -6.026 75 HD1 TYR 9 HD2 TYR 9 -9.575 3.640 -8.860 76 HD2 TYR 9 HD1 TYR 9 -6.233 1.664 -7.019 77 HE1 TYR 9 HE2 TYR 9 -8.042 4.719 -10.482 78 HE2 TYR 9 HE1 TYR 9 -4.700 2.745 -8.643 79 HH TYR 9 HH TYR 9 -5.885 5.137 -10.975 80 H ALA 10 H ALA 10 -8.312 -0.999 -6.405 81 HA ALA 10 HA ALA 10 -6.314 -1.482 -8.373 82 HB1 ALA 10 3HB ALA 10 -5.666 -3.322 -7.026 83 HB2 ALA 10 1HB ALA 10 -7.309 -3.579 -6.439 84 HB3 ALA 10 2HB ALA 10 -6.382 -2.185 -5.885 85 H GLN 11 H GLN 11 -9.482 -2.978 -7.837 86 HA GLN 11 HA GLN 11 -9.186 -5.125 -9.687 87 HB2 GLN 11 1HB GLN 11 -11.619 -3.615 -8.711 88 HB3 GLN 11 2HB GLN 11 -11.725 -5.036 -9.750 89 HG2 GLN 11 1HG GLN 11 -10.563 -6.389 -8.082 90 HG3 GLN 11 2HG GLN 11 -10.330 -4.971 -7.059 91 HE21 GLN 11 2HE2 GLN 11 -13.308 -4.452 -8.388 92 HE22 GLN 11 1HE2 GLN 11 -14.286 -5.201 -7.219 93 H LYS 12 H LYS 12 -10.606 -1.875 -10.130 94 HA LYS 12 HA LYS 12 -11.204 -2.225 -12.906 95 HB2 LYS 12 1HB LYS 12 -10.668 0.262 -11.262 96 HB3 LYS 12 2HB LYS 12 -11.239 0.295 -12.930 97 HG2 LYS 12 1HG LYS 12 -13.231 -0.996 -12.295 98 HG3 LYS 12 2HG LYS 12 -12.657 -1.079 -10.628 99 HD2 LYS 12 1HD LYS 12 -12.710 1.408 -10.517 100 HD3 LYS 12 2HD LYS 12 -13.374 1.446 -12.150 101 HE2 LYS 12 1HE LYS 12 -14.658 0.067 -9.773 102 HE3 LYS 12 2HE LYS 12 -15.162 1.618 -10.444 103 HZ1 LYS 12 3HZ LYS 12 -15.707 -1.031 -11.378 104 HZ2 LYS 12 1HZ LYS 12 -15.077 -0.041 -12.601 105 HZ3 LYS 12 2HZ LYS 12 -16.477 0.432 -11.763 106 H LYS 13 H LYS 13 -8.343 -1.078 -11.192 107 HA LYS 13 HA LYS 13 -6.926 -0.172 -13.514 108 HB2 LYS 13 1HB LYS 13 -6.474 0.334 -11.024 109 HB3 LYS 13 2HB LYS 13 -5.607 -1.199 -11.005 110 HG2 LYS 13 1HG LYS 13 -3.870 0.249 -11.557 111 HG3 LYS 13 2HG LYS 13 -4.420 -0.205 -13.167 112 HD2 LYS 13 1HD LYS 13 -5.810 1.831 -13.276 113 HD3 LYS 13 2HD LYS 13 -5.295 2.273 -11.649 114 HE2 LYS 13 1HE LYS 13 -2.962 2.407 -12.407 115 HE3 LYS 13 2HE LYS 13 -3.455 1.930 -14.033 116 HZ1 LYS 13 3HZ LYS 13 -3.334 4.479 -13.067 117 HZ2 LYS 13 1HZ LYS 13 -4.991 4.118 -13.034 118 HZ3 LYS 13 2HZ LYS 13 -4.123 3.982 -14.488 119 H TYR 14 H TYR 14 -6.733 -3.269 -11.717 120 HA TYR 14 HA TYR 14 -5.320 -4.440 -14.101 121 HB2 TYR 14 1HB TYR 14 -4.855 -5.023 -11.160 122 HB3 TYR 14 2HB TYR 14 -4.071 -5.858 -12.501 123 HD1 TYR 14 HD1 TYR 14 -2.664 -4.497 -14.133 124 HD2 TYR 14 HD2 TYR 14 -4.026 -2.940 -10.369 125 HE1 TYR 14 HE1 TYR 14 -0.939 -2.720 -14.245 126 HE2 TYR 14 HE2 TYR 14 -2.301 -1.161 -10.482 127 HH TYR 14 HH TYR 14 -0.948 -0.015 -12.140 128 H ASP 15 H ASP 15 -7.860 -4.770 -11.744 129 HA ASP 15 HA ASP 15 -9.583 -6.363 -11.580 130 HB2 ASP 15 1HB ASP 15 -9.454 -6.078 -14.159 131 HB3 ASP 15 2HB ASP 15 -8.596 -7.618 -14.140 132 H THR 16 H THR 16 -7.187 -6.798 -10.239 133 HA THR 16 HA THR 16 -6.673 -9.727 -10.517 134 HB THR 16 HB THR 16 -5.148 -7.518 -9.117 135 HG1 THR 16 HG1 THR 16 -4.140 -7.493 -10.939 136 HG21 THR 16 3HG2 THR 16 -4.799 -10.518 -9.105 137 HG22 THR 16 1HG2 THR 16 -4.844 -9.415 -7.727 138 HG23 THR 16 2HG2 THR 16 -3.448 -9.424 -8.805 139 H LYS 17 H LYS 17 -7.356 -11.103 -8.959 140 HA LYS 17 HA LYS 17 -9.042 -10.046 -6.814 141 HB2 LYS 17 1HB LYS 17 -8.334 -12.800 -7.821 142 HB3 LYS 17 2HB LYS 17 -9.211 -12.601 -6.307 143 HG2 LYS 17 1HG LYS 17 -10.997 -11.405 -7.425 144 HG3 LYS 17 2HG LYS 17 -10.088 -11.380 -8.937 145 HD2 LYS 17 1HD LYS 17 -10.112 -13.917 -8.871 146 HD3 LYS 17 2HD LYS 17 -11.262 -13.793 -7.539 147 HE2 LYS 17 1HE LYS 17 -11.627 -12.680 -10.336 148 HE3 LYS 17 2HE LYS 17 -12.488 -14.050 -9.634 149 HZ1 LYS 17 3HZ LYS 17 -13.796 -12.015 -9.532 150 HZ2 LYS 17 1HZ LYS 17 -12.578 -11.258 -8.624 151 HZ3 LYS 17 2HZ LYS 17 -13.424 -12.581 -7.972 152 HA PRO 18 HA PRO 18 -5.938 -10.136 -3.642 153 HB2 PRO 18 1HB PRO 18 -7.457 -10.664 -1.424 154 HB3 PRO 18 2HB PRO 18 -7.495 -9.106 -2.270 155 HG2 PRO 18 1HG PRO 18 -9.384 -11.413 -2.489 156 HG3 PRO 18 2HG PRO 18 -9.737 -9.679 -2.363 157 HD2 PRO 18 1HD PRO 18 -9.795 -10.976 -4.747 158 HD3 PRO 18 2HD PRO 18 -9.279 -9.280 -4.614 159 H ASP 19 H ASP 19 -4.716 -11.559 -2.303 160 HA ASP 19 HA ASP 19 -5.585 -14.407 -2.182 161 HB2 ASP 19 1HB ASP 19 -4.130 -14.059 -4.211 162 HB3 ASP 19 2HB ASP 19 -2.837 -13.544 -3.127 163 H HIS 20 H HIS 20 -4.947 -15.395 -0.292 164 HA HIS 20 HA HIS 20 -3.026 -13.928 1.475 165 HB2 HIS 20 1HB HIS 20 -4.542 -14.647 3.394 166 HB3 HIS 20 2HB HIS 20 -5.146 -13.345 2.374 167 HD1 HIS 20 HD1 HIS 20 -7.175 -13.860 0.843 168 HD2 HIS 20 HD2 HIS 20 -5.966 -17.107 3.163 169 HE1 HIS 20 HE1 HIS 20 -9.032 -15.576 0.697 170 HA PRO 21 HA PRO 21 -1.648 -18.335 0.894 171 HB2 PRO 21 1HB PRO 21 0.847 -17.022 1.916 172 HB3 PRO 21 2HB PRO 21 0.638 -18.126 0.542 173 HG2 PRO 21 1HG PRO 21 1.037 -15.508 0.184 174 HG3 PRO 21 2HG PRO 21 -0.031 -16.440 -0.884 175 HD2 PRO 21 1HD PRO 21 -0.757 -14.507 1.289 176 HD3 PRO 21 2HD PRO 21 -1.593 -14.849 -0.243 177 H TRP 22 H TRP 22 -1.050 -16.054 3.542 178 HA TRP 22 HA TRP 22 -0.810 -18.241 5.508 179 HB2 TRP 22 1HB TRP 22 -0.843 -16.020 7.054 180 HB3 TRP 22 2HB TRP 22 0.613 -16.567 6.231 181 HD1 TRP 22 HD1 TRP 22 -2.392 -14.756 4.622 182 HE1 TRP 22 HE1 TRP 22 -1.526 -12.580 3.540 183 HE3 TRP 22 HE3 TRP 22 2.486 -14.903 6.125 184 HZ2 TRP 22 HZ2 TRP 22 0.914 -11.099 3.341 185 HZ3 TRP 22 HZ3 TRP 22 4.057 -13.100 5.477 186 HH2 TRP 22 HH2 TRP 22 3.279 -11.200 4.089 187 H GLU 23 H GLU 23 -2.971 -19.094 5.144 188 HA GLU 23 HA GLU 23 -5.381 -17.647 5.391 189 HB2 GLU 23 1HB GLU 23 -6.405 -19.807 6.003 190 HB3 GLU 23 2HB GLU 23 -5.273 -20.004 4.666 191 HG2 GLU 23 1HG GLU 23 -3.530 -20.760 6.246 192 HG3 GLU 23 2HG GLU 23 -4.660 -20.572 7.586 193 H LYS 24 H LYS 24 -2.974 -18.249 7.702 194 HA LYS 24 HA LYS 24 -4.530 -18.321 10.109 195 HB2 LYS 24 1HB LYS 24 -1.713 -17.343 9.557 196 HB3 LYS 24 2HB LYS 24 -2.395 -17.525 11.173 197 HG2 LYS 24 1HG LYS 24 -2.744 -19.915 10.797 198 HG3 LYS 24 2HG LYS 24 -2.189 -19.758 9.133 199 HD2 LYS 24 1HD LYS 24 -0.302 -20.574 10.337 200 HD3 LYS 24 2HD LYS 24 0.006 -18.857 10.092 201 HE2 LYS 24 1HE LYS 24 -0.570 -18.325 12.343 202 HE3 LYS 24 2HE LYS 24 -1.315 -19.901 12.608 203 HZ1 LYS 24 3HZ LYS 24 1.526 -19.721 11.874 204 HZ2 LYS 24 1HZ LYS 24 0.717 -20.937 12.735 205 HZ3 LYS 24 2HZ LYS 24 1.050 -19.448 13.481 206 H PHE 25 H PHE 25 -4.345 -15.959 7.799 207 HA PHE 25 HA PHE 25 -5.374 -13.913 9.677 208 HB2 PHE 25 1HB PHE 25 -2.977 -13.523 7.856 209 HB3 PHE 25 2HB PHE 25 -3.879 -12.187 8.574 210 HD1 PHE 25 HD2 PHE 25 -3.919 -11.866 11.029 211 HD2 PHE 25 HD1 PHE 25 -1.523 -14.920 9.190 212 HE1 PHE 25 HE2 PHE 25 -2.634 -12.125 13.134 213 HE2 PHE 25 HE1 PHE 25 -0.238 -15.180 11.296 214 HZ PHE 25 HZ PHE 25 -0.794 -13.783 13.268 215 HA PRO 26 HA PRO 26 -7.663 -14.326 5.618 216 HB2 PRO 26 1HB PRO 26 -9.966 -13.869 7.458 217 HB3 PRO 26 2HB PRO 26 -9.750 -15.117 6.216 218 HG2 PRO 26 1HG PRO 26 -9.610 -15.696 8.824 219 HG3 PRO 26 2HG PRO 26 -8.578 -16.513 7.635 220 HD2 PRO 26 1HD PRO 26 -7.863 -14.306 9.549 221 HD3 PRO 26 2HD PRO 26 -6.901 -15.718 9.047 222 H ASP 27 H ASP 27 -7.469 -12.035 8.194 223 HA ASP 27 HA ASP 27 -8.966 -9.925 6.832 224 HB2 ASP 27 1HB ASP 27 -8.011 -8.505 8.709 225 HB3 ASP 27 2HB ASP 27 -8.981 -9.878 9.239 226 H TYR 28 H TYR 28 -6.012 -11.312 6.315 227 HA TYR 28 HA TYR 28 -4.680 -8.775 5.481 228 HB2 TYR 28 1HB TYR 28 -3.721 -11.557 6.095 229 HB3 TYR 28 2HB TYR 28 -2.771 -10.565 4.996 230 HD1 TYR 28 HD1 TYR 28 -4.729 -9.847 8.119 231 HD2 TYR 28 HD2 TYR 28 -0.946 -9.612 6.101 232 HE1 TYR 28 HE1 TYR 28 -3.777 -8.617 10.048 233 HE2 TYR 28 HE2 TYR 28 0.007 -8.385 8.030 234 HH TYR 28 HH TYR 28 -1.976 -7.151 10.578 235 H ALA 29 H ALA 29 -4.274 -8.340 3.350 236 HA ALA 29 HA ALA 29 -5.168 -10.363 1.322 237 HB1 ALA 29 3HB ALA 29 -6.767 -8.409 1.698 238 HB2 ALA 29 1HB ALA 29 -6.200 -8.629 0.044 239 HB3 ALA 29 2HB ALA 29 -5.495 -7.366 1.056 240 H VAL 30 H VAL 30 -3.621 -10.812 -0.137 241 HA VAL 30 HA VAL 30 -1.296 -8.930 -0.389 242 HB VAL 30 HB VAL 30 -1.270 -11.868 -1.107 243 HG11 VAL 30 1HG1 VAL 30 0.558 -10.411 -1.928 244 HG12 VAL 30 2HG1 VAL 30 1.150 -11.568 -0.736 245 HG13 VAL 30 3HG1 VAL 30 0.878 -9.888 -0.276 246 HG21 VAL 30 3HG2 VAL 30 -1.928 -11.876 1.198 247 HG22 VAL 30 1HG2 VAL 30 -0.837 -10.549 1.585 248 HG23 VAL 30 2HG2 VAL 30 -0.184 -12.137 1.192 249 H PHE 31 H PHE 31 -1.130 -7.946 -2.310 250 HA PHE 31 HA PHE 31 -2.529 -9.127 -4.687 251 HB2 PHE 31 1HB PHE 31 -1.819 -6.258 -4.011 252 HB3 PHE 31 2HB PHE 31 -2.474 -6.776 -5.564 253 HD1 PHE 31 HD2 PHE 31 -4.750 -7.838 -5.665 254 HD2 PHE 31 HD1 PHE 31 -3.226 -6.017 -2.085 255 HE1 PHE 31 HE2 PHE 31 -7.049 -7.734 -4.739 256 HE2 PHE 31 HE1 PHE 31 -5.524 -5.912 -1.161 257 HZ PHE 31 HZ PHE 31 -7.435 -6.770 -2.487 258 H ARG 32 H ARG 32 -1.295 -9.572 -6.490 259 HA ARG 32 HA ARG 32 1.341 -8.345 -6.835 260 HB2 ARG 32 1HB ARG 32 2.569 -10.492 -6.864 261 HB3 ARG 32 2HB ARG 32 1.893 -10.154 -5.273 262 HG2 ARG 32 1HG ARG 32 -0.027 -11.629 -5.783 263 HG3 ARG 32 2HG ARG 32 0.676 -11.985 -7.362 264 HD2 ARG 32 1HD ARG 32 2.686 -12.911 -6.261 265 HD3 ARG 32 2HD ARG 32 1.980 -12.563 -4.683 266 HE ARG 32 HE ARG 32 0.143 -14.166 -6.157 267 HH11 ARG 32 1HH2 ARG 32 3.243 -14.282 -4.635 268 HH12 ARG 32 2HH2 ARG 32 3.163 -15.981 -4.313 269 HH21 ARG 32 1HH1 ARG 32 0.032 -16.377 -5.742 270 HH22 ARG 32 2HH1 ARG 32 1.347 -17.167 -4.940 271 H HIS 33 H HIS 33 1.954 -8.343 -8.962 272 HA HIS 33 HA HIS 33 0.066 -9.604 -10.896 273 HB2 HIS 33 1HB HIS 33 2.149 -7.429 -11.278 274 HB3 HIS 33 2HB HIS 33 1.041 -8.014 -12.521 275 HD1 HIS 33 HD1 HIS 33 -1.552 -8.215 -10.892 276 HD2 HIS 33 HD2 HIS 33 1.031 -4.949 -10.686 277 HE1 HIS 33 HE1 HIS 33 -2.934 -6.260 -10.062 278 H SER 34 H SER 34 0.729 -11.347 -12.023 279 HA SER 34 HA SER 34 3.465 -12.348 -11.742 280 HB2 SER 34 1HB SER 34 1.038 -13.337 -13.259 281 HB3 SER 34 2HB SER 34 2.576 -14.193 -13.226 282 HG SER 34 HG SER 34 2.313 -13.994 -10.835 283 H ASP 35 H ASP 35 1.866 -10.218 -13.828 284 HA ASP 35 HA ASP 35 3.084 -10.824 -16.343 285 HB2 ASP 35 1HB ASP 35 1.841 -8.380 -15.101 286 HB3 ASP 35 2HB ASP 35 2.690 -8.217 -16.637 287 H ASN 36 H ASN 36 4.160 -8.750 -13.645 288 HA ASN 36 HA ASN 36 6.808 -8.438 -15.034 289 HB2 ASN 36 1HB ASN 36 5.610 -6.743 -12.819 290 HB3 ASN 36 2HB ASN 36 7.132 -6.445 -13.656 291 HD21 ASN 36 2HD2 ASN 36 6.728 -4.596 -14.892 292 HD22 ASN 36 1HD2 ASN 36 5.417 -4.415 -15.955 293 H ASP 37 H ASP 37 5.149 -9.578 -12.189 294 HA ASP 37 HA ASP 37 5.894 -10.823 -10.358 295 HB2 ASP 37 1HB ASP 37 7.097 -12.080 -12.225 296 HB3 ASP 37 2HB ASP 37 8.525 -11.127 -11.825 297 H LYS 38 H LYS 38 7.371 -7.969 -11.367 298 HA LYS 38 HA LYS 38 9.107 -7.752 -8.959 299 HB2 LYS 38 1HB LYS 38 8.736 -5.969 -11.386 300 HB3 LYS 38 2HB LYS 38 9.802 -5.584 -10.033 301 HG2 LYS 38 1HG LYS 38 11.051 -7.684 -10.429 302 HG3 LYS 38 2HG LYS 38 9.997 -8.044 -11.798 303 HD2 LYS 38 1HD LYS 38 10.742 -6.004 -12.940 304 HD3 LYS 38 2HD LYS 38 11.757 -5.584 -11.558 305 HE2 LYS 38 1HE LYS 38 13.126 -6.646 -13.286 306 HE3 LYS 38 2HE LYS 38 13.022 -7.703 -11.880 307 HZ1 LYS 38 3HZ LYS 38 12.611 -8.665 -14.224 308 HZ2 LYS 38 1HZ LYS 38 11.071 -7.971 -14.066 309 HZ3 LYS 38 2HZ LYS 38 11.595 -9.136 -12.946 310 H TRP 39 H TRP 39 5.944 -7.155 -9.895 311 HA TRP 39 HA TRP 39 5.593 -4.650 -8.398 312 HB2 TRP 39 1HB TRP 39 4.226 -5.126 -10.406 313 HB3 TRP 39 2HB TRP 39 3.537 -6.533 -9.595 314 HD1 TRP 39 HD1 TRP 39 2.210 -5.965 -7.213 315 HE1 TRP 39 HE1 TRP 39 0.715 -3.941 -6.653 316 HE3 TRP 39 HE3 TRP 39 3.723 -2.721 -10.850 317 HZ2 TRP 39 HZ2 TRP 39 0.223 -1.296 -7.624 318 HZ3 TRP 39 HZ3 TRP 39 2.724 -0.460 -11.013 319 HH2 TRP 39 HH2 TRP 39 0.977 0.257 -9.406 320 H TYR 40 H TYR 40 5.714 -4.805 -6.212 321 HA TYR 40 HA TYR 40 4.434 -7.163 -4.874 322 HB2 TYR 40 1HB TYR 40 6.926 -6.636 -4.473 323 HB3 TYR 40 2HB TYR 40 6.365 -5.221 -3.579 324 HD1 TYR 40 HD2 TYR 40 6.252 -8.923 -3.738 325 HD2 TYR 40 HD1 TYR 40 5.352 -5.426 -1.414 326 HE1 TYR 40 HE2 TYR 40 5.791 -10.354 -1.766 327 HE2 TYR 40 HE1 TYR 40 4.889 -6.856 0.558 328 HH TYR 40 HH TYR 40 4.108 -9.662 0.650 329 H ALA 41 H ALA 41 2.587 -6.774 -3.824 330 HA ALA 41 HA ALA 41 2.058 -4.053 -2.723 331 HB1 ALA 41 3HB ALA 41 0.818 -3.920 -4.736 332 HB2 ALA 41 1HB ALA 41 -0.375 -4.444 -3.550 333 HB3 ALA 41 2HB ALA 41 0.342 -5.614 -4.659 334 H LEU 42 H LEU 42 1.091 -4.159 -0.736 335 HA LEU 42 HA LEU 42 -0.187 -6.701 0.110 336 HB2 LEU 42 1HB LEU 42 2.109 -7.041 0.784 337 HB3 LEU 42 2HB LEU 42 2.197 -5.421 1.468 338 HG LEU 42 HG LEU 42 0.631 -5.993 3.206 339 HD11 LEU 42 1HD1 LEU 42 0.267 -8.500 1.572 340 HD12 LEU 42 2HD1 LEU 42 -0.965 -7.416 2.210 341 HD13 LEU 42 3HD1 LEU 42 -0.104 -8.499 3.296 342 HD21 LEU 42 3HD2 LEU 42 3.033 -6.693 3.449 343 HD22 LEU 42 1HD2 LEU 42 2.558 -8.304 2.910 344 HD23 LEU 42 2HD2 LEU 42 1.908 -7.649 4.413 345 H LEU 43 H LEU 43 -2.041 -6.198 1.051 346 HA LEU 43 HA LEU 43 -2.303 -3.578 2.489 347 HB2 LEU 43 1HB LEU 43 -3.606 -3.768 0.342 348 HB3 LEU 43 2HB LEU 43 -4.481 -5.117 1.042 349 HG LEU 43 HG LEU 43 -4.319 -2.425 2.423 350 HD11 LEU 43 1HD1 LEU 43 -6.676 -2.112 1.441 351 HD12 LEU 43 2HD1 LEU 43 -6.219 -3.351 0.271 352 HD13 LEU 43 3HD1 LEU 43 -5.308 -1.845 0.364 353 HD21 LEU 43 3HD2 LEU 43 -5.230 -3.821 4.016 354 HD22 LEU 43 1HD2 LEU 43 -5.854 -4.968 2.835 355 HD23 LEU 43 2HD2 LEU 43 -6.708 -3.466 3.141 356 H MET 44 H MET 44 -2.690 -3.846 4.629 357 HA MET 44 HA MET 44 -4.487 -5.932 5.573 358 HB2 MET 44 1HB MET 44 -2.567 -6.807 7.180 359 HB3 MET 44 2HB MET 44 -2.747 -7.480 5.564 360 HG2 MET 44 1HG MET 44 -0.396 -6.911 6.041 361 HG3 MET 44 2HG MET 44 -1.042 -5.961 4.711 362 HE1 MET 44 3HE MET 44 0.580 -3.834 4.778 363 HE2 MET 44 1HE MET 44 1.419 -5.132 5.639 364 HE3 MET 44 2HE MET 44 1.403 -3.498 6.299 365 H ASP 45 H ASP 45 -4.713 -5.834 7.979 366 HA ASP 45 HA ASP 45 -4.452 -3.014 8.867 367 HB2 ASP 45 1HB ASP 45 -6.089 -5.359 9.846 368 HB3 ASP 45 2HB ASP 45 -6.002 -3.824 10.714 369 H ILE 46 H ILE 46 -2.660 -2.557 10.001 370 HA ILE 46 HA ILE 46 -1.590 -4.625 11.870 371 HB ILE 46 HB ILE 46 0.587 -3.358 11.648 372 HG12 ILE 46 1HG1 ILE 46 -0.740 -2.208 9.179 373 HG13 ILE 46 2HG1 ILE 46 -0.566 -1.302 10.684 374 HG21 ILE 46 1HG2 ILE 46 0.410 -5.440 10.522 375 HG22 ILE 46 2HG2 ILE 46 0.979 -4.312 9.293 376 HG23 ILE 46 3HG2 ILE 46 -0.717 -4.794 9.332 377 HD11 ILE 46 3HD1 ILE 46 1.901 -1.725 10.595 378 HD12 ILE 46 1HD1 ILE 46 1.315 -0.769 9.234 379 HD13 ILE 46 2HD1 ILE 46 1.676 -2.482 9.018 380 HA PRO 47 HA PRO 47 -2.622 -1.978 15.296 381 HB2 PRO 47 1HB PRO 47 0.150 -2.431 16.318 382 HB3 PRO 47 2HB PRO 47 -1.406 -2.711 17.119 383 HG2 PRO 47 1HG PRO 47 0.137 -4.707 16.109 384 HG3 PRO 47 2HG PRO 47 -1.625 -4.807 16.251 385 HD2 PRO 47 1HD PRO 47 0.027 -4.526 13.810 386 HD3 PRO 47 2HD PRO 47 -1.648 -5.089 13.994 387 H ALA 48 H ALA 48 -2.438 0.187 15.755 388 HA ALA 48 HA ALA 48 -0.946 1.905 14.038 389 HB1 ALA 48 3HB ALA 48 -1.609 3.623 15.930 390 HB2 ALA 48 1HB ALA 48 -2.559 2.268 16.541 391 HB3 ALA 48 2HB ALA 48 -2.861 2.897 14.923 392 H GLU 49 H GLU 49 -0.090 0.321 16.990 393 HA GLU 49 HA GLU 49 2.048 2.158 17.716 394 HB2 GLU 49 1HB GLU 49 2.722 0.272 19.267 395 HB3 GLU 49 2HB GLU 49 1.075 0.862 19.489 396 HG2 GLU 49 1HG GLU 49 0.191 -0.991 18.170 397 HG3 GLU 49 2HG GLU 49 1.823 -1.548 17.814 398 H LYS 50 H LYS 50 1.694 -0.299 15.393 399 HA LYS 50 HA LYS 50 4.526 -1.064 15.319 400 HB2 LYS 50 1HB LYS 50 2.160 -1.678 13.537 401 HB3 LYS 50 2HB LYS 50 3.781 -2.296 13.230 402 HG2 LYS 50 1HG LYS 50 2.499 -2.709 15.927 403 HG3 LYS 50 2HG LYS 50 2.084 -3.767 14.587 404 HD2 LYS 50 1HD LYS 50 4.471 -4.315 14.276 405 HD3 LYS 50 2HD LYS 50 4.890 -3.272 15.630 406 HE2 LYS 50 1HE LYS 50 3.512 -4.653 17.132 407 HE3 LYS 50 2HE LYS 50 3.097 -5.707 15.779 408 HZ1 LYS 50 3HZ LYS 50 5.278 -5.945 17.420 409 HZ2 LYS 50 1HZ LYS 50 5.908 -5.306 15.982 410 HZ3 LYS 50 2HZ LYS 50 5.027 -6.757 15.948 411 H ILE 51 H ILE 51 2.696 1.532 14.131 412 HA ILE 51 HA ILE 51 4.607 1.999 11.876 413 HB ILE 51 HB ILE 51 2.947 3.853 11.294 414 HG12 ILE 51 1HG1 ILE 51 1.192 2.290 13.210 415 HG13 ILE 51 2HG1 ILE 51 1.868 3.879 13.567 416 HG21 ILE 51 1HG2 ILE 51 3.074 1.653 10.139 417 HG22 ILE 51 2HG2 ILE 51 1.423 2.268 10.210 418 HG23 ILE 51 3HG2 ILE 51 1.936 0.990 11.312 419 HD11 ILE 51 3HD1 ILE 51 -0.484 3.967 12.673 420 HD12 ILE 51 1HD1 ILE 51 0.116 3.292 11.160 421 HD13 ILE 51 2HD1 ILE 51 0.677 4.871 11.700 422 H GLY 52 H GLY 52 4.410 2.652 15.077 423 HA2 GLY 52 1HA GLY 52 6.069 4.055 16.159 424 HA3 GLY 52 2HA GLY 52 6.053 5.121 14.758 425 H ILE 53 H ILE 53 2.917 4.733 14.998 426 HA ILE 53 HA ILE 53 2.568 7.194 16.526 427 HB ILE 53 HB ILE 53 0.546 5.345 15.221 428 HG12 ILE 53 1HG1 ILE 53 1.739 8.004 14.361 429 HG13 ILE 53 2HG1 ILE 53 2.174 6.434 13.691 430 HG21 ILE 53 1HG2 ILE 53 -0.520 6.663 16.992 431 HG22 ILE 53 2HG2 ILE 53 -0.984 7.311 15.427 432 HG23 ILE 53 3HG2 ILE 53 0.242 8.132 16.391 433 HD11 ILE 53 3HD1 ILE 53 0.591 7.170 12.145 434 HD12 ILE 53 1HD1 ILE 53 -0.373 7.990 13.371 435 HD13 ILE 53 2HD1 ILE 53 -0.420 6.233 13.244 436 H ASN 54 H ASN 54 2.011 7.355 18.617 437 HA ASN 54 HA ASN 54 2.069 5.119 20.385 438 HB2 ASN 54 1HB ASN 54 2.596 7.480 21.003 439 HB3 ASN 54 2HB ASN 54 0.878 7.860 20.883 440 HD21 ASN 54 2HD2 ASN 54 0.227 8.116 23.045 441 HD22 ASN 54 1HD2 ASN 54 0.499 6.968 24.267 442 H GLY 55 H GLY 55 -0.181 5.398 18.180 443 HA2 GLY 55 1HA GLY 55 -2.601 5.190 19.828 444 HA3 GLY 55 2HA GLY 55 -2.527 5.084 18.071 445 H ASP 56 H ASP 56 -3.687 3.297 20.271 446 HA ASP 56 HA ASP 56 -2.258 0.752 19.665 447 HB2 ASP 56 1HB ASP 56 -4.345 1.499 21.728 448 HB3 ASP 56 2HB ASP 56 -3.754 -0.146 21.495 449 H LYS 57 H LYS 57 -4.559 2.520 18.232 450 HA LYS 57 HA LYS 57 -6.524 0.361 17.806 451 HB2 LYS 57 1HB LYS 57 -7.262 2.718 18.018 452 HB3 LYS 57 2HB LYS 57 -6.362 3.115 16.552 453 HG2 LYS 57 1HG LYS 57 -7.711 1.523 15.269 454 HG3 LYS 57 2HG LYS 57 -8.582 1.064 16.731 455 HD2 LYS 57 1HD LYS 57 -9.400 3.389 16.970 456 HD3 LYS 57 2HD LYS 57 -8.539 3.839 15.500 457 HE2 LYS 57 1HE LYS 57 -9.893 2.216 14.213 458 HE3 LYS 57 2HE LYS 57 -10.764 1.784 15.686 459 HZ1 LYS 57 3HZ LYS 57 -11.948 3.434 14.331 460 HZ2 LYS 57 1HZ LYS 57 -10.655 4.515 14.519 461 HZ3 LYS 57 2HZ LYS 57 -11.561 4.031 15.873 462 H ARG 58 H ARG 58 -6.821 -0.734 15.868 463 HA ARG 58 HA ARG 58 -4.482 -1.119 14.218 464 HB2 ARG 58 1HB ARG 58 -7.339 -2.087 13.959 465 HB3 ARG 58 2HB ARG 58 -6.033 -2.597 12.888 466 HG2 ARG 58 1HG ARG 58 -4.777 -3.475 14.808 467 HG3 ARG 58 2HG ARG 58 -6.045 -2.925 15.904 468 HD2 ARG 58 1HD ARG 58 -6.540 -4.878 13.640 469 HD3 ARG 58 2HD ARG 58 -6.176 -5.378 15.291 470 HE ARG 58 HE ARG 58 -8.299 -3.633 15.595 471 HH11 ARG 58 1HH2 ARG 58 -7.658 -6.438 13.680 472 HH12 ARG 58 2HH2 ARG 58 -9.310 -6.960 13.665 473 HH21 ARG 58 1HH1 ARG 58 -10.447 -4.310 15.584 474 HH22 ARG 58 2HH1 ARG 58 -10.886 -5.758 14.741 475 H VAL 59 H VAL 59 -4.140 -0.515 12.073 476 HA VAL 59 HA VAL 59 -6.104 1.381 10.849 477 HB VAL 59 HB VAL 59 -4.185 2.762 10.089 478 HG11 VAL 59 1HG1 VAL 59 -5.469 3.295 12.163 479 HG12 VAL 59 2HG1 VAL 59 -3.797 3.850 12.238 480 HG13 VAL 59 3HG1 VAL 59 -4.280 2.387 13.096 481 HG21 VAL 59 3HG2 VAL 59 -2.020 2.380 11.446 482 HG22 VAL 59 1HG2 VAL 59 -2.339 1.259 10.124 483 HG23 VAL 59 2HG2 VAL 59 -2.659 0.775 11.789 484 H ASP 60 H ASP 60 -5.905 1.535 8.519 485 HA ASP 60 HA ASP 60 -5.011 -1.035 7.331 486 HB2 ASP 60 1HB ASP 60 -6.483 1.241 5.985 487 HB3 ASP 60 2HB ASP 60 -6.385 -0.440 5.458 488 H VAL 61 H VAL 61 -3.209 -1.171 6.066 489 HA VAL 61 HA VAL 61 -2.042 1.357 4.974 490 HB VAL 61 HB VAL 61 0.152 0.797 5.717 491 HG11 VAL 61 1HG1 VAL 61 -1.519 1.720 7.415 492 HG12 VAL 61 2HG1 VAL 61 -0.088 0.938 8.087 493 HG13 VAL 61 3HG1 VAL 61 -1.629 0.079 8.053 494 HG21 VAL 61 3HG2 VAL 61 0.469 -1.338 7.110 495 HG22 VAL 61 1HG2 VAL 61 0.254 -1.567 5.375 496 HG23 VAL 61 2HG2 VAL 61 -1.093 -1.857 6.477 497 H ILE 62 H ILE 62 -0.641 1.052 3.176 498 HA ILE 62 HA ILE 62 -0.841 -1.604 1.820 499 HB ILE 62 HB ILE 62 -1.207 -0.317 -0.333 500 HG12 ILE 62 1HG1 ILE 62 -1.988 1.895 1.591 501 HG13 ILE 62 2HG1 ILE 62 -0.501 1.888 0.642 502 HG21 ILE 62 1HG2 ILE 62 -3.021 -1.536 0.691 503 HG22 ILE 62 2HG2 ILE 62 -3.651 0.016 0.150 504 HG23 ILE 62 3HG2 ILE 62 -3.295 -0.246 1.858 505 HD11 ILE 62 3HD1 ILE 62 -1.838 1.755 -1.438 506 HD12 ILE 62 1HD1 ILE 62 -2.237 3.198 -0.505 507 HD13 ILE 62 2HD1 ILE 62 -3.317 1.804 -0.479 508 H ASP 63 H ASP 63 0.893 -2.056 0.403 509 HA ASP 63 HA ASP 63 3.372 -0.635 1.055 510 HB2 ASP 63 1HB ASP 63 2.682 -3.090 -0.546 511 HB3 ASP 63 2HB ASP 63 4.294 -2.383 -0.661 512 H LEU 64 H LEU 64 4.673 0.521 -0.388 513 HA LEU 64 HA LEU 64 3.491 1.111 -3.068 514 HB2 LEU 64 1HB LEU 64 3.176 2.890 -1.097 515 HB3 LEU 64 2HB LEU 64 4.835 3.306 -1.511 516 HG LEU 64 HG LEU 64 3.361 4.721 -2.811 517 HD11 LEU 64 1HD1 LEU 64 4.249 4.348 -4.957 518 HD12 LEU 64 2HD1 LEU 64 4.220 2.599 -4.768 519 HD13 LEU 64 3HD1 LEU 64 5.410 3.564 -3.897 520 HD21 LEU 64 3HD2 LEU 64 2.096 2.470 -4.323 521 HD22 LEU 64 1HD2 LEU 64 1.428 4.031 -3.856 522 HD23 LEU 64 2HD2 LEU 64 1.508 2.724 -2.684 523 H LYS 65 H LYS 65 4.953 0.830 -4.639 524 HA LYS 65 HA LYS 65 7.733 0.233 -3.958 525 HB2 LYS 65 1HB LYS 65 6.491 -1.037 -5.696 526 HB3 LYS 65 2HB LYS 65 6.380 0.432 -6.662 527 HG2 LYS 65 1HG LYS 65 8.851 0.562 -6.754 528 HG3 LYS 65 2HG LYS 65 8.960 -0.914 -5.797 529 HD2 LYS 65 1HD LYS 65 7.744 -2.140 -7.578 530 HD3 LYS 65 2HD LYS 65 7.659 -0.660 -8.523 531 HE2 LYS 65 1HE LYS 65 9.535 -2.020 -9.302 532 HE3 LYS 65 2HE LYS 65 10.143 -0.552 -8.537 533 HZ1 LYS 65 3HZ LYS 65 10.819 -1.700 -6.670 534 HZ2 LYS 65 1HZ LYS 65 11.176 -2.803 -7.908 535 HZ3 LYS 65 2HZ LYS 65 9.781 -3.016 -6.961 536 H VAL 66 H VAL 66 9.424 1.613 -4.128 537 HA VAL 66 HA VAL 66 9.192 4.019 -5.854 538 HB VAL 66 HB VAL 66 10.109 5.451 -4.005 539 HG11 VAL 66 1HG1 VAL 66 7.998 5.952 -3.114 540 HG12 VAL 66 2HG1 VAL 66 7.475 4.270 -3.140 541 HG13 VAL 66 3HG1 VAL 66 7.601 5.181 -4.645 542 HG21 VAL 66 3HG2 VAL 66 10.012 4.683 -1.726 543 HG22 VAL 66 1HG2 VAL 66 10.916 3.475 -2.640 544 HG23 VAL 66 2HG2 VAL 66 9.233 3.176 -2.206 545 H GLN 67 H GLN 67 11.291 5.063 -6.177 546 HA GLN 67 HA GLN 67 13.419 3.042 -6.348 547 HB2 GLN 67 1HB GLN 67 12.828 5.715 -7.538 548 HB3 GLN 67 2HB GLN 67 14.533 5.318 -7.377 549 HG2 GLN 67 1HG GLN 67 14.209 3.246 -8.629 550 HG3 GLN 67 2HG GLN 67 12.471 3.531 -8.700 551 HE21 GLN 67 2HE2 GLN 67 13.413 3.271 -11.151 552 HE22 GLN 67 1HE2 GLN 67 13.688 4.753 -11.931 553 HA PRO 68 HA PRO 68 15.746 4.245 -2.804 554 HB2 PRO 68 1HB PRO 68 18.330 4.444 -3.868 555 HB3 PRO 68 2HB PRO 68 17.544 2.930 -3.388 556 HG2 PRO 68 1HG PRO 68 17.831 4.137 -6.102 557 HG3 PRO 68 2HG PRO 68 17.914 2.435 -5.607 558 HD2 PRO 68 1HD PRO 68 15.717 3.450 -6.811 559 HD3 PRO 68 2HD PRO 68 15.593 2.193 -5.567 560 H GLU 69 H GLU 69 15.816 6.234 -5.635 561 HA GLU 69 HA GLU 69 17.028 8.527 -4.179 562 HB2 GLU 69 1HB GLU 69 16.551 9.585 -6.574 563 HB3 GLU 69 2HB GLU 69 17.926 8.509 -6.328 564 HG2 GLU 69 1HG GLU 69 16.686 6.616 -7.187 565 HG3 GLU 69 2HG GLU 69 15.206 7.568 -7.269 566 H LEU 70 H LEU 70 13.966 7.341 -5.387 567 HA LEU 70 HA LEU 70 12.606 9.919 -4.856 568 HB2 LEU 70 1HB LEU 70 11.591 7.248 -5.864 569 HB3 LEU 70 2HB LEU 70 10.594 8.692 -5.691 570 HG LEU 70 HG LEU 70 13.084 8.509 -7.414 571 HD11 LEU 70 1HD1 LEU 70 10.218 8.657 -8.362 572 HD12 LEU 70 2HD1 LEU 70 11.055 7.122 -8.133 573 HD13 LEU 70 3HD1 LEU 70 11.659 8.289 -9.308 574 HD21 LEU 70 3HD2 LEU 70 11.131 10.702 -6.761 575 HD22 LEU 70 1HD2 LEU 70 11.825 10.649 -8.381 576 HD23 LEU 70 2HD2 LEU 70 12.879 10.788 -6.980 577 H VAL 71 H VAL 71 13.592 7.318 -3.054 578 HA VAL 71 HA VAL 71 11.303 6.745 -1.439 579 HB VAL 71 HB VAL 71 13.308 5.329 -1.419 580 HG11 VAL 71 1HG1 VAL 71 14.859 7.395 -1.607 581 HG12 VAL 71 2HG1 VAL 71 15.411 6.058 -0.599 582 HG13 VAL 71 3HG1 VAL 71 14.719 7.498 0.147 583 HG21 VAL 71 3HG2 VAL 71 13.049 6.581 1.318 584 HG22 VAL 71 1HG2 VAL 71 13.355 4.891 0.919 585 HG23 VAL 71 2HG2 VAL 71 11.764 5.593 0.624 586 H GLY 72 H GLY 72 13.868 9.188 -1.119 587 HA2 GLY 72 1HA GLY 72 13.078 10.187 1.434 588 HA3 GLY 72 2HA GLY 72 14.001 11.093 0.236 589 H SER 73 H SER 73 12.076 11.111 -1.848 590 HA SER 73 HA SER 73 10.512 13.374 -1.125 591 HB2 SER 73 1HB SER 73 9.980 11.475 -3.416 592 HB3 SER 73 2HB SER 73 9.483 13.160 -3.300 593 HG SER 73 HG SER 73 12.169 12.721 -2.906 594 H LEU 74 H LEU 74 9.717 9.936 -1.211 595 HA LEU 74 HA LEU 74 6.882 10.373 -0.699 596 HB2 LEU 74 1HB LEU 74 7.682 8.407 -1.907 597 HB3 LEU 74 2HB LEU 74 8.594 7.893 -0.499 598 HG LEU 74 HG LEU 74 5.845 8.358 0.327 599 HD11 LEU 74 1HD1 LEU 74 4.625 6.799 -1.029 600 HD12 LEU 74 2HD1 LEU 74 6.069 6.370 -1.937 601 HD13 LEU 74 3HD1 LEU 74 5.367 7.975 -2.109 602 HD21 LEU 74 3HD2 LEU 74 7.608 6.805 1.300 603 HD22 LEU 74 1HD2 LEU 74 7.259 5.700 -0.033 604 HD23 LEU 74 2HD2 LEU 74 5.996 6.109 1.135 605 H ARG 75 H ARG 75 9.693 9.507 1.303 606 HA ARG 75 HA ARG 75 8.086 9.123 3.698 607 HB2 ARG 75 1HB ARG 75 11.053 9.361 3.194 608 HB3 ARG 75 2HB ARG 75 10.392 9.210 4.823 609 HG2 ARG 75 1HG ARG 75 9.324 7.093 4.224 610 HG3 ARG 75 2HG ARG 75 9.877 7.253 2.565 611 HD2 ARG 75 1HD ARG 75 12.236 7.224 3.378 612 HD3 ARG 75 2HD ARG 75 11.643 6.969 5.014 613 HE ARG 75 HE ARG 75 10.463 4.908 3.688 614 HH11 ARG 75 1HH2 ARG 75 13.670 6.190 3.708 615 HH12 ARG 75 2HH2 ARG 75 14.420 4.660 3.405 616 HH21 ARG 75 1HH1 ARG 75 11.429 2.921 3.285 617 HH22 ARG 75 2HH1 ARG 75 13.154 2.812 3.168 618 H LYS 76 H LYS 76 9.004 11.881 2.023 619 HA LYS 76 HA LYS 76 9.443 13.584 4.373 620 HB2 LYS 76 1HB LYS 76 9.795 15.342 2.829 621 HB3 LYS 76 2HB LYS 76 10.424 13.919 2.012 622 HG2 LYS 76 1HG LYS 76 9.095 14.559 0.258 623 HG3 LYS 76 2HG LYS 76 7.768 13.892 1.190 624 HD2 LYS 76 1HD LYS 76 7.310 16.086 2.164 625 HD3 LYS 76 2HD LYS 76 8.701 16.771 1.325 626 HE2 LYS 76 1HE LYS 76 7.666 16.205 -0.848 627 HE3 LYS 76 2HE LYS 76 6.268 15.542 -0.004 628 HZ1 LYS 76 3HZ LYS 76 6.957 18.181 0.865 629 HZ2 LYS 76 1HZ LYS 76 5.455 17.562 0.375 630 HZ3 LYS 76 2HZ LYS 76 6.563 18.120 -0.786 631 H LYS 77 H LYS 77 6.755 12.261 2.777 632 HA LYS 77 HA LYS 77 4.963 14.508 3.424 633 HB2 LYS 77 1HB LYS 77 4.550 11.834 2.087 634 HB3 LYS 77 2HB LYS 77 3.199 12.880 2.509 635 HG2 LYS 77 1HG LYS 77 4.434 14.724 1.203 636 HG3 LYS 77 2HG LYS 77 5.458 13.429 0.577 637 HD2 LYS 77 1HD LYS 77 3.495 12.275 -0.318 638 HD3 LYS 77 2HD LYS 77 2.436 13.516 0.354 639 HE2 LYS 77 1HE LYS 77 4.641 14.067 -1.652 640 HE3 LYS 77 2HE LYS 77 2.943 13.860 -2.081 641 HZ1 LYS 77 3HZ LYS 77 4.256 16.063 -0.683 642 HZ2 LYS 77 1HZ LYS 77 2.679 15.668 -0.198 643 HZ3 LYS 77 2HZ LYS 77 2.988 16.095 -1.813 644 HA PRO 78 HA PRO 78 3.853 12.860 7.389 645 HB2 PRO 78 1HB PRO 78 1.322 13.875 7.681 646 HB3 PRO 78 2HB PRO 78 2.790 14.868 7.799 647 HG2 PRO 78 1HG PRO 78 0.928 14.517 5.485 648 HG3 PRO 78 2HG PRO 78 1.682 15.996 6.110 649 HD2 PRO 78 1HD PRO 78 2.654 14.686 3.925 650 HD3 PRO 78 2HD PRO 78 3.707 15.579 5.049 651 H GLY 79 H GLY 79 2.826 11.095 8.312 652 HA2 GLY 79 1HA GLY 79 1.244 9.328 8.508 653 HA3 GLY 79 2HA GLY 79 0.535 9.822 6.976 654 H ILE 80 H ILE 80 3.705 9.817 6.306 655 HA ILE 80 HA ILE 80 3.556 7.076 5.169 656 HB ILE 80 HB ILE 80 5.611 9.244 4.677 657 HG12 ILE 80 1HG1 ILE 80 3.446 10.093 4.010 658 HG13 ILE 80 2HG1 ILE 80 4.308 9.597 2.557 659 HG21 ILE 80 1HG2 ILE 80 6.073 7.936 2.638 660 HG22 ILE 80 2HG2 ILE 80 4.869 6.745 3.128 661 HG23 ILE 80 3HG2 ILE 80 6.335 6.963 4.085 662 HD11 ILE 80 3HD1 ILE 80 2.191 8.667 2.221 663 HD12 ILE 80 1HD1 ILE 80 1.992 8.250 3.919 664 HD13 ILE 80 2HD1 ILE 80 3.083 7.315 2.895 665 H TYR 81 H TYR 81 4.557 5.456 6.149 666 HA TYR 81 HA TYR 81 6.905 6.057 7.893 667 HB2 TYR 81 1HB TYR 81 4.747 3.976 8.306 668 HB3 TYR 81 2HB TYR 81 6.169 4.187 9.330 669 HD1 TYR 81 HD1 TYR 81 6.503 6.355 10.562 670 HD2 TYR 81 HD2 TYR 81 2.847 5.410 8.516 671 HE1 TYR 81 HE1 TYR 81 5.332 8.131 11.836 672 HE2 TYR 81 HE2 TYR 81 1.675 7.186 9.790 673 HH TYR 81 HH TYR 81 2.234 9.260 10.990 674 HA PRO 82 HA PRO 82 9.025 3.129 5.292 675 HB2 PRO 82 1HB PRO 82 11.010 2.307 7.011 676 HB3 PRO 82 2HB PRO 82 11.007 3.881 6.188 677 HG2 PRO 82 1HG PRO 82 10.202 3.216 8.984 678 HG3 PRO 82 2HG PRO 82 11.125 4.603 8.373 679 HD2 PRO 82 1HD PRO 82 8.480 4.781 8.993 680 HD3 PRO 82 2HD PRO 82 9.221 5.753 7.694 681 H ALA 83 H ALA 83 9.191 0.884 4.926 682 HA ALA 83 HA ALA 83 7.285 -0.760 6.285 683 HB1 ALA 83 3HB ALA 83 9.560 -1.544 4.443 684 HB2 ALA 83 1HB ALA 83 7.917 -1.140 3.943 685 HB3 ALA 83 2HB ALA 83 8.215 -2.588 4.903 686 H TYR 84 H TYR 84 7.525 -2.246 7.888 687 HA TYR 84 HA TYR 84 10.092 -2.237 9.374 688 HB2 TYR 84 1HB TYR 84 8.711 -3.378 11.145 689 HB3 TYR 84 2HB TYR 84 8.116 -1.779 10.704 690 HD1 TYR 84 HD1 TYR 84 6.240 -1.631 8.940 691 HD2 TYR 84 HD2 TYR 84 7.304 -5.276 10.958 692 HE1 TYR 84 HE1 TYR 84 4.039 -2.604 8.346 693 HE2 TYR 84 HE2 TYR 84 5.099 -6.245 10.363 694 HH TYR 84 HH TYR 84 2.978 -4.736 8.098 695 H HIS 85 H HIS 85 8.773 -4.000 6.914 696 HA HIS 85 HA HIS 85 10.438 -6.343 7.616 697 HB2 HIS 85 1HB HIS 85 7.443 -6.399 7.293 698 HB3 HIS 85 2HB HIS 85 8.388 -7.797 6.776 699 HD1 HIS 85 HD1 HIS 85 6.492 -7.063 9.517 700 HD2 HIS 85 HD2 HIS 85 10.531 -8.051 9.202 701 HE1 HIS 85 HE1 HIS 85 7.199 -7.930 11.789 702 H MET 86 H MET 86 10.823 -7.756 5.820 703 HA MET 86 HA MET 86 11.610 -8.046 3.648 704 HB2 MET 86 1HB MET 86 8.803 -7.015 3.206 705 HB3 MET 86 2HB MET 86 9.822 -7.605 1.893 706 HG2 MET 86 1HG MET 86 10.065 -9.772 3.030 707 HG3 MET 86 2HG MET 86 9.086 -9.188 4.375 708 HE1 MET 86 3HE MET 86 7.861 -10.011 0.068 709 HE2 MET 86 1HE MET 86 8.800 -11.201 0.979 710 HE3 MET 86 2HE MET 86 9.438 -9.581 0.722 711 H ASN 87 H ASN 87 13.276 -6.767 3.149 712 HA ASN 87 HA ASN 87 14.497 -4.868 2.507 713 HB2 ASN 87 1HB ASN 87 12.101 -4.857 0.662 714 HB3 ASN 87 2HB ASN 87 13.464 -3.754 0.460 715 HD21 ASN 87 2HD2 ASN 87 12.877 -5.695 -1.539 716 HD22 ASN 87 1HD2 ASN 87 14.121 -6.852 -1.555 717 H LYS 88 H LYS 88 13.900 -2.374 1.670 718 HA LYS 88 HA LYS 88 11.947 -1.184 3.569 719 HB2 LYS 88 1HB LYS 88 14.303 -1.322 4.612 720 HB3 LYS 88 2HB LYS 88 14.780 -0.130 3.401 721 HG2 LYS 88 1HG LYS 88 12.781 1.257 4.212 722 HG3 LYS 88 2HG LYS 88 12.716 0.166 5.587 723 HD2 LYS 88 1HD LYS 88 15.055 0.719 6.150 724 HD3 LYS 88 2HD LYS 88 15.124 1.815 4.767 725 HE2 LYS 88 1HE LYS 88 14.650 3.223 6.603 726 HE3 LYS 88 2HE LYS 88 13.097 2.990 5.808 727 HZ1 LYS 88 3HZ LYS 88 12.553 2.543 7.967 728 HZ2 LYS 88 1HZ LYS 88 14.072 1.890 8.344 729 HZ3 LYS 88 2HZ LYS 88 12.958 0.979 7.441 730 H GLU 89 H GLU 89 14.548 -0.256 1.268 731 HA GLU 89 HA GLU 89 13.181 2.113 0.364 732 HB2 GLU 89 1HB GLU 89 15.383 0.457 -0.910 733 HB3 GLU 89 2HB GLU 89 14.826 2.007 -1.542 734 HG2 GLU 89 1HG GLU 89 15.449 3.130 0.525 735 HG3 GLU 89 2HG GLU 89 15.884 1.591 1.266 736 H HIS 90 H HIS 90 13.303 -1.225 -0.794 737 HA HIS 90 HA HIS 90 11.974 -0.906 -3.269 738 HB2 HIS 90 1HB HIS 90 11.815 -3.186 -1.275 739 HB3 HIS 90 2HB HIS 90 11.258 -3.275 -2.945 740 HD1 HIS 90 HD1 HIS 90 14.429 -2.766 -0.930 741 HD2 HIS 90 HD2 HIS 90 13.278 -3.727 -4.819 742 HE1 HIS 90 HE1 HIS 90 16.545 -3.404 -2.166 743 H TRP 91 H TRP 91 10.415 -2.119 -0.284 744 HA TRP 91 HA TRP 91 7.844 -0.930 -1.237 745 HB2 TRP 91 1HB TRP 91 8.008 -2.853 1.070 746 HB3 TRP 91 2HB TRP 91 6.725 -2.637 -0.120 747 HD1 TRP 91 HD1 TRP 91 9.091 -5.093 0.776 748 HE1 TRP 91 HE1 TRP 91 9.830 -6.562 -1.202 749 HE3 TRP 91 HE3 TRP 91 7.468 -2.212 -3.105 750 HZ2 TRP 91 HZ2 TRP 91 9.739 -6.522 -4.056 751 HZ3 TRP 91 HZ3 TRP 91 7.805 -2.951 -5.431 752 HH2 TRP 91 HH2 TRP 91 8.936 -5.097 -5.921 753 H ILE 92 H ILE 92 6.653 0.426 0.068 754 HA ILE 92 HA ILE 92 7.850 1.226 2.688 755 HB ILE 92 HB ILE 92 6.659 3.106 0.628 756 HG12 ILE 92 1HG1 ILE 92 9.026 2.085 0.195 757 HG13 ILE 92 2HG1 ILE 92 8.826 3.827 0.081 758 HG21 ILE 92 1HG2 ILE 92 7.804 4.768 2.320 759 HG22 ILE 92 2HG2 ILE 92 7.667 3.431 3.446 760 HG23 ILE 92 3HG2 ILE 92 6.219 4.100 2.698 761 HD11 ILE 92 3HD1 ILE 92 10.843 2.871 1.447 762 HD12 ILE 92 1HD1 ILE 92 9.645 2.596 2.703 763 HD13 ILE 92 2HD1 ILE 92 9.927 4.224 2.106 764 H THR 93 H THR 93 6.359 1.701 4.294 765 HA THR 93 HA THR 93 3.634 0.696 3.792 766 HB THR 93 HB THR 93 4.918 1.715 6.341 767 HG1 THR 93 HG1 THR 93 5.166 -0.515 6.746 768 HG21 THR 93 3HG2 THR 93 3.085 0.424 7.415 769 HG22 THR 93 1HG2 THR 93 2.407 0.098 5.820 770 HG23 THR 93 2HG2 THR 93 2.473 1.752 6.431 771 H VAL 94 H VAL 94 1.882 1.979 3.534 772 HA VAL 94 HA VAL 94 2.166 4.916 4.088 773 HB VAL 94 HB VAL 94 0.516 3.530 1.959 774 HG11 VAL 94 1HG1 VAL 94 -0.613 5.526 2.733 775 HG12 VAL 94 2HG1 VAL 94 0.163 5.912 1.198 776 HG13 VAL 94 3HG1 VAL 94 0.895 6.441 2.713 777 HG21 VAL 94 3HG2 VAL 94 2.095 4.659 0.411 778 HG22 VAL 94 1HG2 VAL 94 2.934 3.531 1.476 779 HG23 VAL 94 2HG2 VAL 94 3.002 5.262 1.796 780 H LEU 95 H LEU 95 0.701 5.767 5.449 781 HA LEU 95 HA LEU 95 -1.286 3.963 6.650 782 HB2 LEU 95 1HB LEU 95 0.163 5.471 8.025 783 HB3 LEU 95 2HB LEU 95 -0.645 6.855 7.294 784 HG LEU 95 HG LEU 95 -2.823 6.002 8.156 785 HD11 LEU 95 1HD1 LEU 95 -1.041 3.795 9.142 786 HD12 LEU 95 2HD1 LEU 95 -2.674 3.709 8.480 787 HD13 LEU 95 3HD1 LEU 95 -2.423 4.266 10.130 788 HD21 LEU 95 3HD2 LEU 95 -2.368 6.548 10.542 789 HD22 LEU 95 1HD2 LEU 95 -1.573 7.674 9.443 790 HD23 LEU 95 2HD2 LEU 95 -0.639 6.402 10.230 791 H LEU 96 H LEU 96 -3.042 3.736 5.325 792 HA LEU 96 HA LEU 96 -4.183 5.826 3.711 793 HB2 LEU 96 1HB LEU 96 -5.306 3.226 4.778 794 HB3 LEU 96 2HB LEU 96 -6.173 4.258 3.645 795 HG LEU 96 HG LEU 96 -3.391 3.171 3.122 796 HD11 LEU 96 1HD1 LEU 96 -4.674 1.621 1.523 797 HD12 LEU 96 2HD1 LEU 96 -6.113 2.041 2.450 798 HD13 LEU 96 3HD1 LEU 96 -4.760 1.233 3.240 799 HD21 LEU 96 3HD2 LEU 96 -5.432 4.704 1.508 800 HD22 LEU 96 1HD2 LEU 96 -4.298 3.634 0.688 801 HD23 LEU 96 2HD2 LEU 96 -3.695 4.976 1.649 802 H ASN 97 H ASN 97 -4.881 4.586 6.947 803 HA ASN 97 HA ASN 97 -7.176 6.296 7.375 804 HB2 ASN 97 1HB ASN 97 -5.352 4.826 9.303 805 HB3 ASN 97 2HB ASN 97 -6.840 5.644 9.778 806 HD21 ASN 97 2HD2 ASN 97 -8.119 4.801 7.108 807 HD22 ASN 97 1HD2 ASN 97 -8.516 3.169 7.336 808 H GLY 98 H GLY 98 -4.110 7.125 6.804 809 HA2 GLY 98 1HA GLY 98 -3.698 9.077 8.956 810 HA3 GLY 98 2HA GLY 98 -2.650 8.821 7.563 811 HA PRO 99 HA PRO 99 -5.109 12.689 6.771 812 HB2 PRO 99 1HB PRO 99 -3.007 14.403 6.479 813 HB3 PRO 99 2HB PRO 99 -3.682 13.988 8.066 814 HG2 PRO 99 1HG PRO 99 -1.192 13.017 6.756 815 HG3 PRO 99 2HG PRO 99 -1.520 13.326 8.469 816 HD2 PRO 99 1HD PRO 99 -1.537 10.798 7.256 817 HD3 PRO 99 2HD PRO 99 -2.286 11.179 8.821 818 H LEU 100 H LEU 100 -3.337 10.571 5.065 819 HA LEU 100 HA LEU 100 -2.514 11.967 2.730 820 HB2 LEU 100 1HB LEU 100 -3.235 9.118 3.355 821 HB3 LEU 100 2HB LEU 100 -2.930 9.580 1.682 822 HG LEU 100 HG LEU 100 -0.893 8.733 2.888 823 HD11 LEU 100 1HD1 LEU 100 -0.251 11.603 2.351 824 HD12 LEU 100 2HD1 LEU 100 -1.019 10.717 1.038 825 HD13 LEU 100 3HD1 LEU 100 0.493 10.141 1.716 826 HD21 LEU 100 3HD2 LEU 100 -0.949 11.338 4.417 827 HD22 LEU 100 1HD2 LEU 100 0.063 9.917 4.698 828 HD23 LEU 100 2HD2 LEU 100 -1.659 9.866 5.083 829 H GLY 101 H GLY 101 -3.597 12.797 1.064 830 HA2 GLY 101 1HA GLY 101 -6.533 12.695 1.069 831 HA3 GLY 101 2HA GLY 101 -5.527 13.705 0.035 832 H ALA 102 H ALA 102 -7.751 12.187 -0.865 833 HA ALA 102 HA ALA 102 -7.101 9.689 -2.063 834 HB1 ALA 102 3HB ALA 102 -9.396 10.715 -1.870 835 HB2 ALA 102 1HB ALA 102 -9.032 10.088 -3.478 836 HB3 ALA 102 2HB ALA 102 -8.948 11.822 -3.169 837 H LYS 103 H LYS 103 -6.898 13.001 -3.367 838 HA LYS 103 HA LYS 103 -5.844 12.249 -5.925 839 HB2 LYS 103 1HB LYS 103 -5.633 14.816 -4.332 840 HB3 LYS 103 2HB LYS 103 -5.081 14.648 -5.998 841 HG2 LYS 103 1HG LYS 103 -7.343 14.044 -6.720 842 HG3 LYS 103 2HG LYS 103 -7.910 14.099 -5.053 843 HD2 LYS 103 1HD LYS 103 -8.549 16.209 -5.846 844 HD3 LYS 103 2HD LYS 103 -7.002 16.562 -5.085 845 HE2 LYS 103 1HE LYS 103 -7.179 17.601 -7.330 846 HE3 LYS 103 2HE LYS 103 -5.876 16.417 -7.270 847 HZ1 LYS 103 3HZ LYS 103 -8.279 15.129 -7.957 848 HZ2 LYS 103 1HZ LYS 103 -6.855 15.267 -8.867 849 HZ3 LYS 103 2HZ LYS 103 -8.058 16.460 -8.989 850 H GLU 104 H GLU 104 -4.309 13.139 -2.854 851 HA GLU 104 HA GLU 104 -1.613 13.206 -3.766 852 HB2 GLU 104 1HB GLU 104 -2.795 12.480 -1.071 853 HB3 GLU 104 2HB GLU 104 -1.068 12.705 -1.350 854 HG2 GLU 104 1HG GLU 104 -1.463 15.010 -2.090 855 HG3 GLU 104 2HG GLU 104 -3.202 14.791 -1.894 856 H ILE 105 H ILE 105 -3.558 10.530 -2.447 857 HA ILE 105 HA ILE 105 -1.490 8.548 -2.572 858 HB ILE 105 HB ILE 105 -4.509 8.300 -2.682 859 HG12 ILE 105 1HG1 ILE 105 -2.583 7.709 -0.416 860 HG13 ILE 105 2HG1 ILE 105 -3.403 9.260 -0.604 861 HG21 ILE 105 1HG2 ILE 105 -3.701 6.278 -3.630 862 HG22 ILE 105 2HG2 ILE 105 -3.950 5.898 -1.928 863 HG23 ILE 105 3HG2 ILE 105 -2.324 6.217 -2.530 864 HD11 ILE 105 3HD1 ILE 105 -4.597 7.670 0.939 865 HD12 ILE 105 1HD1 ILE 105 -4.842 6.596 -0.437 866 HD13 ILE 105 2HD1 ILE 105 -5.578 8.199 -0.428 867 H HIS 106 H HIS 106 -4.026 9.499 -4.881 868 HA HIS 106 HA HIS 106 -3.544 7.518 -6.850 869 HB2 HIS 106 1HB HIS 106 -4.508 10.376 -7.084 870 HB3 HIS 106 2HB HIS 106 -4.485 9.254 -8.443 871 HD1 HIS 106 HD1 HIS 106 -6.812 10.495 -6.158 872 HD2 HIS 106 HD2 HIS 106 -5.844 6.615 -7.337 873 HE1 HIS 106 HE1 HIS 106 -8.805 9.049 -5.566 874 H SER 107 H SER 107 -2.045 10.713 -6.407 875 HA SER 107 HA SER 107 -0.439 10.680 -8.761 876 HB2 SER 107 1HB SER 107 0.109 11.960 -6.070 877 HB3 SER 107 2HB SER 107 0.958 12.344 -7.564 878 HG SER 107 HG SER 107 -1.663 12.912 -6.769 879 H LEU 108 H LEU 108 0.229 9.528 -5.461 880 HA LEU 108 HA LEU 108 2.931 8.708 -5.950 881 HB2 LEU 108 1HB LEU 108 0.885 7.692 -3.954 882 HB3 LEU 108 2HB LEU 108 2.602 7.292 -3.913 883 HG LEU 108 HG LEU 108 1.472 10.105 -3.775 884 HD11 LEU 108 1HD1 LEU 108 0.910 8.925 -1.744 885 HD12 LEU 108 2HD1 LEU 108 2.271 9.987 -1.390 886 HD13 LEU 108 3HD1 LEU 108 2.539 8.259 -1.620 887 HD21 LEU 108 3HD2 LEU 108 4.249 8.969 -3.884 888 HD22 LEU 108 1HD2 LEU 108 3.980 10.371 -2.845 889 HD23 LEU 108 2HD2 LEU 108 3.620 10.465 -4.568 890 H ILE 109 H ILE 109 -0.173 6.999 -6.230 891 HA ILE 109 HA ILE 109 0.917 4.422 -6.834 892 HB ILE 109 HB ILE 109 -1.730 5.694 -7.585 893 HG12 ILE 109 1HG1 ILE 109 -1.081 3.584 -5.504 894 HG13 ILE 109 2HG1 ILE 109 -1.172 5.307 -5.139 895 HG21 ILE 109 1HG2 ILE 109 -2.389 3.213 -7.874 896 HG22 ILE 109 2HG2 ILE 109 -0.659 2.894 -7.985 897 HG23 ILE 109 3HG2 ILE 109 -1.441 3.945 -9.165 898 HD11 ILE 109 3HD1 ILE 109 -3.317 4.181 -4.651 899 HD12 ILE 109 1HD1 ILE 109 -3.414 3.646 -6.329 900 HD13 ILE 109 2HD1 ILE 109 -3.501 5.365 -5.944 901 H GLU 110 H GLU 110 -0.067 7.134 -8.918 902 HA GLU 110 HA GLU 110 0.390 5.853 -11.423 903 HB2 GLU 110 1HB GLU 110 -0.759 8.055 -11.147 904 HB3 GLU 110 2HB GLU 110 0.795 8.780 -10.732 905 HG2 GLU 110 1HG GLU 110 1.706 8.160 -12.919 906 HG3 GLU 110 2HG GLU 110 0.194 7.359 -13.343 907 H ASP 111 H ASP 111 2.550 7.564 -9.209 908 HA ASP 111 HA ASP 111 4.855 7.637 -10.896 909 HB2 ASP 111 1HB ASP 111 4.538 7.543 -7.887 910 HB3 ASP 111 2HB ASP 111 6.099 7.737 -8.679 911 H SER 112 H SER 112 3.668 5.209 -8.581 912 HA SER 112 HA SER 112 5.891 3.423 -8.780 913 HB2 SER 112 1HB SER 112 4.411 1.753 -7.824 914 HB3 SER 112 2HB SER 112 4.089 3.298 -7.043 915 HG SER 112 HG SER 112 2.306 1.840 -8.072 916 H PHE 113 H PHE 113 2.966 3.811 -10.722 917 HA PHE 113 HA PHE 113 3.206 1.447 -12.287 918 HB2 PHE 113 1HB PHE 113 1.197 2.884 -12.308 919 HB3 PHE 113 2HB PHE 113 2.119 4.149 -13.123 920 HD1 PHE 113 HD1 PHE 113 1.057 0.581 -13.444 921 HD2 PHE 113 HD2 PHE 113 2.369 4.131 -15.477 922 HE1 PHE 113 HE1 PHE 113 0.619 -0.507 -15.628 923 HE2 PHE 113 HE2 PHE 113 1.929 3.041 -17.662 924 HZ PHE 113 HZ PHE 113 1.055 0.722 -17.737 925 H GLN 114 H GLN 114 4.519 4.720 -12.814 926 HA GLN 114 HA GLN 114 5.800 4.103 -15.310 927 HB2 GLN 114 1HB GLN 114 6.399 6.213 -13.217 928 HB3 GLN 114 2HB GLN 114 7.178 6.148 -14.798 929 HG2 GLN 114 1HG GLN 114 4.978 6.329 -15.898 930 HG3 GLN 114 2HG GLN 114 4.192 6.385 -14.319 931 HE21 GLN 114 2HE2 GLN 114 3.505 8.531 -14.085 932 HE22 GLN 114 1HE2 GLN 114 4.496 9.890 -14.323 933 H LEU 115 H LEU 115 6.658 3.594 -11.973 934 HA LEU 115 HA LEU 115 9.467 2.975 -12.543 935 HB2 LEU 115 1HB LEU 115 7.752 2.617 -10.071 936 HB3 LEU 115 2HB LEU 115 9.478 2.268 -10.131 937 HG LEU 115 HG LEU 115 8.283 4.968 -10.829 938 HD11 LEU 115 1HD1 LEU 115 9.320 3.872 -8.211 939 HD12 LEU 115 2HD1 LEU 115 7.803 4.712 -8.524 940 HD13 LEU 115 3HD1 LEU 115 9.321 5.601 -8.554 941 HD21 LEU 115 3HD2 LEU 115 10.780 5.573 -10.199 942 HD22 LEU 115 1HD2 LEU 115 10.415 4.935 -11.798 943 HD23 LEU 115 2HD2 LEU 115 11.082 3.875 -10.557 944 H THR 116 H THR 116 6.496 1.356 -12.754 945 HA THR 116 HA THR 116 7.810 -1.336 -12.632 946 HB THR 116 HB THR 116 5.530 -2.223 -12.325 947 HG1 THR 116 HG1 THR 116 4.041 -0.966 -13.084 948 HG21 THR 116 3HG2 THR 116 5.030 -0.863 -10.125 949 HG22 THR 116 1HG2 THR 116 6.564 -0.076 -10.484 950 HG23 THR 116 2HG2 THR 116 6.504 -1.821 -10.236 951 H ARG 117 H ARG 117 7.456 0.875 -14.833 952 HA ARG 117 HA ARG 117 5.820 -0.312 -16.871 953 HB2 ARG 117 1HB ARG 117 6.861 1.287 -18.379 954 HB3 ARG 117 2HB ARG 117 6.500 2.081 -16.847 955 HG2 ARG 117 1HG ARG 117 8.866 1.669 -16.132 956 HG3 ARG 117 2HG ARG 117 9.201 1.027 -17.739 957 HD2 ARG 117 1HD ARG 117 8.494 3.186 -18.737 958 HD3 ARG 117 2HD ARG 117 8.227 3.829 -17.117 959 HE ARG 117 HE ARG 117 10.918 2.785 -17.456 960 HH11 ARG 117 1HH2 ARG 117 8.793 5.456 -17.986 961 HH12 ARG 117 2HH2 ARG 117 10.066 6.631 -18.004 962 HH21 ARG 117 1HH1 ARG 117 12.582 4.308 -17.481 963 HH22 ARG 117 2HH1 ARG 117 12.208 5.982 -17.719 964 H LEU 118 H LEU 118 6.321 -1.715 -18.489 965 HA LEU 118 HA LEU 118 8.680 -3.393 -18.131 966 HB2 LEU 118 1HB LEU 118 6.396 -3.443 -20.113 967 HB3 LEU 118 2HB LEU 118 7.655 -4.673 -20.034 968 HG LEU 118 HG LEU 118 5.910 -3.894 -17.681 969 HD11 LEU 118 1HD1 LEU 118 4.485 -4.843 -19.405 970 HD12 LEU 118 2HD1 LEU 118 4.716 -6.042 -18.133 971 HD13 LEU 118 3HD1 LEU 118 5.606 -6.182 -19.649 972 HD21 LEU 118 3HD2 LEU 118 8.050 -5.961 -18.162 973 HD22 LEU 118 1HD2 LEU 118 6.734 -6.348 -17.058 974 HD23 LEU 118 2HD2 LEU 118 7.764 -4.960 -16.742 975 H GLU 119 H GLU 119 9.740 -4.129 -20.299 976 HA GLU 119 HA GLU 119 11.261 -3.581 -21.971 977 HB2 GLU 119 1HB GLU 119 9.108 -1.529 -22.559 978 HB3 GLU 119 2HB GLU 119 10.485 -1.845 -23.614 979 HG2 GLU 119 1HG GLU 119 9.817 -4.195 -23.820 980 HG3 GLU 119 2HG GLU 119 8.461 -3.918 -22.727 981 H HIS 120 H HIS 120 13.137 -2.821 -21.183 982 HA HIS 120 HA HIS 120 13.261 -0.235 -19.804 983 HB2 HIS 120 1HB HIS 120 14.573 -2.150 -18.979 984 HB3 HIS 120 2HB HIS 120 15.452 -2.210 -20.507 985 HD1 HIS 120 HD1 HIS 120 17.134 -0.281 -21.001 986 HD2 HIS 120 HD2 HIS 120 15.333 -0.031 -17.251 987 HE1 HIS 120 HE1 HIS 120 18.437 1.455 -19.696 988 H HIS 121 H HIS 121 12.784 1.248 -21.458 989 HA HIS 121 HA HIS 121 13.174 2.581 -23.343 990 HB2 HIS 121 1HB HIS 121 15.987 2.059 -22.363 991 HB3 HIS 121 2HB HIS 121 15.562 3.299 -23.544 992 HD1 HIS 121 HD1 HIS 121 15.408 2.509 -19.905 993 HD2 HIS 121 HD2 HIS 121 13.962 5.457 -22.475 994 HE1 HIS 121 HE1 HIS 121 14.577 4.397 -18.435 995 H HIS 122 H HIS 122 13.500 -0.528 -23.551 996 HA HIS 122 HA HIS 122 14.882 -0.561 -26.211 997 HB2 HIS 122 1HB HIS 122 14.355 -2.778 -24.218 998 HB3 HIS 122 2HB HIS 122 15.019 -3.034 -25.832 999 HD1 HIS 122 HD1 HIS 122 16.902 -3.854 -23.709 1000 HD2 HIS 122 HD2 HIS 122 16.688 0.121 -24.945 1001 HE1 HIS 122 HE1 HIS 122 19.099 -2.778 -23.058 1002 H HIS 123 H HIS 123 13.882 -1.582 -27.940 1003 HA HIS 123 HA HIS 123 12.072 -2.027 -29.331 1004 HB2 HIS 123 1HB HIS 123 12.143 -4.122 -27.996 1005 HB3 HIS 123 2HB HIS 123 10.996 -3.412 -26.859 1006 HD1 HIS 123 HD1 HIS 123 8.575 -2.896 -27.782 1007 HD2 HIS 123 HD2 HIS 123 11.011 -5.024 -30.413 1008 HE1 HIS 123 HE1 HIS 123 7.050 -3.824 -29.578 1009 H HIS 124 H HIS 124 11.336 0.085 -29.591 1010 HA HIS 124 HA HIS 124 9.915 1.925 -29.355 1011 HB2 HIS 124 1HB HIS 124 8.064 -0.406 -28.797 1012 HB3 HIS 124 2HB HIS 124 7.500 1.249 -29.037 1013 HD1 HIS 124 HD1 HIS 124 9.219 -1.579 -30.863 1014 HD2 HIS 124 HD2 HIS 124 7.563 2.152 -31.715 1015 HE1 HIS 124 HE1 HIS 124 9.122 -1.397 -33.388 1016 H HIS 125 H HIS 125 11.015 2.780 -27.504 1017 HA HIS 125 HA HIS 125 11.219 3.466 -25.270 1018 HB2 HIS 125 1HB HIS 125 9.135 4.624 -26.096 1019 HB3 HIS 125 2HB HIS 125 8.193 3.322 -25.369 1020 HD1 HIS 125 HD1 HIS 125 8.354 3.078 -22.727 1021 HD2 HIS 125 HD2 HIS 125 10.105 6.530 -24.275 1022 HE1 HIS 125 HE1 HIS 125 8.717 4.639 -20.766 Start of MODEL 17 1 H1 MET 1 1H MET 1 -7.510 7.251 2.963 2 H2 MET 1 2H MET 1 -8.519 6.780 4.245 3 H3 MET 1 3H MET 1 -8.802 8.245 3.434 4 HA MET 1 HA MET 1 -10.239 7.174 2.156 5 HB2 MET 1 1HB MET 1 -8.281 7.237 0.645 6 HB3 MET 1 2HB MET 1 -7.767 5.665 1.259 7 HG2 MET 1 1HG MET 1 -9.685 4.573 0.358 8 HG3 MET 1 2HG MET 1 -10.496 6.105 0.033 9 HE1 MET 1 3HE MET 1 -6.808 4.388 -2.058 10 HE2 MET 1 1HE MET 1 -7.441 4.032 -0.447 11 HE3 MET 1 2HE MET 1 -6.560 5.528 -0.740 12 H ASN 2 H ASN 2 -11.333 5.065 1.658 13 HA ASN 2 HA ASN 2 -11.137 3.267 4.016 14 HB2 ASN 2 1HB ASN 2 -13.190 3.542 1.803 15 HB3 ASN 2 2HB ASN 2 -13.291 2.351 3.099 16 HD21 ASN 2 2HD2 ASN 2 -12.005 4.447 4.992 17 HD22 ASN 2 1HD2 ASN 2 -13.296 5.474 5.385 18 H ARG 3 H ARG 3 -11.091 0.964 3.743 19 HA ARG 3 HA ARG 3 -9.193 0.004 1.841 20 HB2 ARG 3 1HB ARG 3 -9.696 -1.082 4.029 21 HB3 ARG 3 2HB ARG 3 -11.270 -1.567 3.401 22 HG2 ARG 3 1HG ARG 3 -10.152 -2.855 1.606 23 HG3 ARG 3 2HG ARG 3 -8.581 -2.385 2.256 24 HD2 ARG 3 1HD ARG 3 -10.681 -3.880 3.851 25 HD3 ARG 3 2HD ARG 3 -9.355 -4.669 2.997 26 HE ARG 3 HE ARG 3 -8.258 -2.645 4.677 27 HH11 ARG 3 1HH2 ARG 3 -9.919 -5.668 4.795 28 HH12 ARG 3 2HH2 ARG 3 -9.215 -6.144 6.305 29 HH21 ARG 3 1HH1 ARG 3 -7.329 -3.255 6.642 30 HH22 ARG 3 2HH1 ARG 3 -7.750 -4.779 7.350 31 H GLN 4 H GLN 4 -12.755 -0.175 1.921 32 HA GLN 4 HA GLN 4 -13.172 -1.834 -0.310 33 HB2 GLN 4 1HB GLN 4 -14.941 -0.951 1.233 34 HB3 GLN 4 2HB GLN 4 -14.801 0.615 0.435 35 HG2 GLN 4 1HG GLN 4 -16.662 -0.595 -0.549 36 HG3 GLN 4 2HG GLN 4 -15.365 -0.506 -1.739 37 HE21 GLN 4 2HE2 GLN 4 -15.777 -2.489 -2.851 38 HE22 GLN 4 1HE2 GLN 4 -15.692 -4.008 -2.101 39 H GLN 5 H GLN 5 -12.612 1.683 -0.224 40 HA GLN 5 HA GLN 5 -12.921 2.074 -3.053 41 HB2 GLN 5 1HB GLN 5 -11.345 3.657 -1.002 42 HB3 GLN 5 2HB GLN 5 -11.723 4.212 -2.633 43 HG2 GLN 5 1HG GLN 5 -13.803 3.422 -0.571 44 HG3 GLN 5 2HG GLN 5 -13.318 5.084 -0.913 45 HE21 GLN 5 2HE2 GLN 5 -15.826 3.146 -1.542 46 HE22 GLN 5 1HE2 GLN 5 -16.213 3.611 -3.127 47 H PHE 6 H PHE 6 -10.167 1.208 -1.006 48 HA PHE 6 HA PHE 6 -8.116 1.556 -2.953 49 HB2 PHE 6 1HB PHE 6 -7.814 1.080 -0.472 50 HB3 PHE 6 2HB PHE 6 -8.179 -0.609 -0.831 51 HD1 PHE 6 HD1 PHE 6 -5.992 2.191 -2.006 52 HD2 PHE 6 HD2 PHE 6 -6.403 -2.045 -1.424 53 HE1 PHE 6 HE1 PHE 6 -3.645 1.867 -2.724 54 HE2 PHE 6 HE2 PHE 6 -4.050 -2.369 -2.148 55 HZ PHE 6 HZ PHE 6 -2.668 -0.409 -2.796 56 H ILE 7 H ILE 7 -10.158 -1.269 -2.187 57 HA ILE 7 HA ILE 7 -8.986 -3.038 -4.113 58 HB ILE 7 HB ILE 7 -11.853 -2.993 -3.134 59 HG12 ILE 7 1HG1 ILE 7 -10.374 -2.926 -1.212 60 HG13 ILE 7 2HG1 ILE 7 -11.024 -4.554 -1.366 61 HG21 ILE 7 1HG2 ILE 7 -10.083 -5.129 -4.330 62 HG22 ILE 7 2HG2 ILE 7 -11.641 -4.551 -4.921 63 HG23 ILE 7 3HG2 ILE 7 -11.559 -5.505 -3.440 64 HD11 ILE 7 3HD1 ILE 7 -8.754 -4.967 -0.991 65 HD12 ILE 7 1HD1 ILE 7 -8.238 -3.568 -1.929 66 HD13 ILE 7 2HD1 ILE 7 -8.833 -5.010 -2.751 67 H ASP 8 H ASP 8 -11.785 -0.839 -4.290 68 HA ASP 8 HA ASP 8 -12.543 -1.479 -6.974 69 HB2 ASP 8 1HB ASP 8 -12.886 1.007 -5.276 70 HB3 ASP 8 2HB ASP 8 -13.582 0.852 -6.889 71 H TYR 9 H TYR 9 -10.296 0.952 -5.649 72 HA TYR 9 HA TYR 9 -9.705 2.284 -8.093 73 HB2 TYR 9 1HB TYR 9 -9.003 3.173 -5.934 74 HB3 TYR 9 2HB TYR 9 -7.969 1.772 -5.660 75 HD1 TYR 9 HD1 TYR 9 -8.514 4.670 -7.950 76 HD2 TYR 9 HD2 TYR 9 -5.759 1.711 -6.501 77 HE1 TYR 9 HE1 TYR 9 -6.665 5.800 -9.155 78 HE2 TYR 9 HE2 TYR 9 -3.910 2.840 -7.706 79 HH TYR 9 HH TYR 9 -4.285 5.969 -9.127 80 H ALA 10 H ALA 10 -8.029 -0.443 -6.513 81 HA ALA 10 HA ALA 10 -6.173 -0.848 -8.683 82 HB1 ALA 10 3HB ALA 10 -5.999 -1.650 -6.234 83 HB2 ALA 10 1HB ALA 10 -5.465 -2.765 -7.493 84 HB3 ALA 10 2HB ALA 10 -7.041 -2.984 -6.731 85 H GLN 11 H GLN 11 -9.360 -2.151 -7.890 86 HA GLN 11 HA GLN 11 -9.414 -4.305 -9.721 87 HB2 GLN 11 1HB GLN 11 -11.131 -3.885 -7.971 88 HB3 GLN 11 2HB GLN 11 -11.721 -2.513 -8.909 89 HG2 GLN 11 1HG GLN 11 -12.304 -3.958 -10.764 90 HG3 GLN 11 2HG GLN 11 -11.573 -5.346 -9.962 91 HE21 GLN 11 2HE2 GLN 11 -12.552 -5.552 -7.521 92 HE22 GLN 11 1HE2 GLN 11 -14.247 -5.485 -7.463 93 H LYS 12 H LYS 12 -10.521 -0.930 -10.218 94 HA LYS 12 HA LYS 12 -11.233 -1.321 -12.964 95 HB2 LYS 12 1HB LYS 12 -10.402 1.166 -11.437 96 HB3 LYS 12 2HB LYS 12 -11.035 1.190 -13.082 97 HG2 LYS 12 1HG LYS 12 -13.117 0.126 -12.319 98 HG3 LYS 12 2HG LYS 12 -12.485 0.048 -10.673 99 HD2 LYS 12 1HD LYS 12 -12.291 2.527 -10.655 100 HD3 LYS 12 2HD LYS 12 -13.002 2.576 -12.267 101 HE2 LYS 12 1HE LYS 12 -14.348 1.391 -9.822 102 HE3 LYS 12 2HE LYS 12 -14.690 2.989 -10.485 103 HZ1 LYS 12 3HZ LYS 12 -15.228 1.853 -12.615 104 HZ2 LYS 12 1HZ LYS 12 -16.293 1.489 -11.347 105 HZ3 LYS 12 2HZ LYS 12 -15.104 0.365 -11.805 106 H LYS 13 H LYS 13 -8.227 -0.296 -11.390 107 HA LYS 13 HA LYS 13 -6.810 0.314 -13.801 108 HB2 LYS 13 1HB LYS 13 -5.815 -0.468 -11.052 109 HB3 LYS 13 2HB LYS 13 -4.795 0.183 -12.333 110 HG2 LYS 13 1HG LYS 13 -7.264 1.663 -11.419 111 HG3 LYS 13 2HG LYS 13 -5.739 1.832 -10.556 112 HD2 LYS 13 1HD LYS 13 -4.648 2.494 -12.718 113 HD3 LYS 13 2HD LYS 13 -6.233 2.468 -13.484 114 HE2 LYS 13 1HE LYS 13 -5.538 4.162 -11.076 115 HE3 LYS 13 2HE LYS 13 -5.566 4.752 -12.736 116 HZ1 LYS 13 3HZ LYS 13 -7.940 3.676 -12.675 117 HZ2 LYS 13 1HZ LYS 13 -7.677 5.249 -12.097 118 HZ3 LYS 13 2HZ LYS 13 -7.786 3.952 -11.006 119 H TYR 14 H TYR 14 -6.848 -2.687 -11.828 120 HA TYR 14 HA TYR 14 -5.539 -4.081 -14.154 121 HB2 TYR 14 1HB TYR 14 -5.086 -4.548 -11.192 122 HB3 TYR 14 2HB TYR 14 -4.382 -5.505 -12.495 123 HD1 TYR 14 HD2 TYR 14 -2.694 -4.530 -14.012 124 HD2 TYR 14 HD1 TYR 14 -4.308 -2.298 -10.714 125 HE1 TYR 14 HE2 TYR 14 -0.853 -2.881 -14.225 126 HE2 TYR 14 HE1 TYR 14 -2.468 -0.650 -10.929 127 HH TYR 14 HH TYR 14 -0.395 -0.320 -11.857 128 H ASP 15 H ASP 15 -8.116 -4.090 -11.830 129 HA ASP 15 HA ASP 15 -9.935 -5.567 -11.594 130 HB2 ASP 15 1HB ASP 15 -9.758 -5.420 -14.187 131 HB3 ASP 15 2HB ASP 15 -9.005 -7.009 -14.076 132 H THR 16 H THR 16 -7.668 -6.134 -10.119 133 HA THR 16 HA THR 16 -7.437 -9.128 -10.275 134 HB THR 16 HB THR 16 -5.552 -7.077 -9.070 135 HG1 THR 16 HG1 THR 16 -4.344 -7.474 -10.813 136 HG21 THR 16 3HG2 THR 16 -5.523 -10.101 -9.149 137 HG22 THR 16 1HG2 THR 16 -5.462 -9.062 -7.726 138 HG23 THR 16 2HG2 THR 16 -4.083 -9.137 -8.823 139 H LYS 17 H LYS 17 -8.360 -10.224 -8.621 140 HA LYS 17 HA LYS 17 -9.572 -8.714 -6.437 141 HB2 LYS 17 1HB LYS 17 -9.555 -11.633 -7.199 142 HB3 LYS 17 2HB LYS 17 -10.365 -11.037 -5.746 143 HG2 LYS 17 1HG LYS 17 -11.626 -9.412 -7.226 144 HG3 LYS 17 2HG LYS 17 -10.944 -10.248 -8.618 145 HD2 LYS 17 1HD LYS 17 -12.450 -11.751 -6.473 146 HD3 LYS 17 2HD LYS 17 -13.294 -10.966 -7.805 147 HE2 LYS 17 1HE LYS 17 -11.148 -13.096 -8.055 148 HE3 LYS 17 2HE LYS 17 -12.868 -13.298 -8.381 149 HZ1 LYS 17 3HZ LYS 17 -10.887 -11.711 -9.889 150 HZ2 LYS 17 1HZ LYS 17 -12.549 -11.403 -10.027 151 HZ3 LYS 17 2HZ LYS 17 -11.931 -12.926 -10.457 152 HA PRO 18 HA PRO 18 -6.412 -9.208 -3.340 153 HB2 PRO 18 1HB PRO 18 -8.475 -10.419 -1.533 154 HB3 PRO 18 2HB PRO 18 -7.395 -9.044 -1.243 155 HG2 PRO 18 1HG PRO 18 -9.987 -8.691 -1.748 156 HG3 PRO 18 2HG PRO 18 -8.760 -7.562 -2.354 157 HD2 PRO 18 1HD PRO 18 -10.308 -9.642 -3.856 158 HD3 PRO 18 2HD PRO 18 -9.698 -8.061 -4.392 159 H ASP 19 H ASP 19 -4.931 -10.781 -2.783 160 HA ASP 19 HA ASP 19 -5.745 -13.654 -3.137 161 HB2 ASP 19 1HB ASP 19 -4.078 -12.620 -4.798 162 HB3 ASP 19 2HB ASP 19 -2.947 -12.542 -3.446 163 H HIS 20 H HIS 20 -5.718 -14.751 -1.239 164 HA HIS 20 HA HIS 20 -3.920 -13.780 0.965 165 HB2 HIS 20 1HB HIS 20 -6.475 -15.389 1.177 166 HB3 HIS 20 2HB HIS 20 -5.533 -14.721 2.512 167 HD1 HIS 20 HD1 HIS 20 -6.540 -12.619 3.376 168 HD2 HIS 20 HD2 HIS 20 -7.128 -13.010 -0.731 169 HE1 HIS 20 HE1 HIS 20 -7.821 -10.562 2.637 170 HA PRO 21 HA PRO 21 -2.464 -18.012 -0.214 171 HB2 PRO 21 1HB PRO 21 0.219 -17.511 -0.117 172 HB3 PRO 21 2HB PRO 21 -0.773 -17.143 -1.544 173 HG2 PRO 21 1HG PRO 21 0.268 -15.312 0.558 174 HG3 PRO 21 2HG PRO 21 0.052 -15.030 -1.177 175 HD2 PRO 21 1HD PRO 21 -1.694 -14.139 0.809 176 HD3 PRO 21 2HD PRO 21 -2.130 -14.322 -0.905 177 H TRP 22 H TRP 22 -2.062 -15.931 2.449 178 HA TRP 22 HA TRP 22 -0.832 -18.054 4.148 179 HB2 TRP 22 1HB TRP 22 -1.424 -15.148 4.803 180 HB3 TRP 22 2HB TRP 22 -0.471 -16.273 5.772 181 HD1 TRP 22 HD1 TRP 22 1.395 -17.590 3.729 182 HE1 TRP 22 HE1 TRP 22 3.171 -16.248 2.439 183 HE3 TRP 22 HE3 TRP 22 -0.556 -12.885 4.163 184 HZ2 TRP 22 HZ2 TRP 22 3.703 -13.544 1.688 185 HZ3 TRP 22 HZ3 TRP 22 0.611 -10.948 3.150 186 HH2 TRP 22 HH2 TRP 22 2.736 -11.271 1.915 187 H GLU 23 H GLU 23 -2.602 -19.417 4.448 188 HA GLU 23 HA GLU 23 -5.260 -18.569 5.058 189 HB2 GLU 23 1HB GLU 23 -5.599 -20.897 5.782 190 HB3 GLU 23 2HB GLU 23 -4.672 -20.846 4.283 191 HG2 GLU 23 1HG GLU 23 -2.571 -21.030 5.618 192 HG3 GLU 23 2HG GLU 23 -3.548 -21.212 7.076 193 H LYS 24 H LYS 24 -2.397 -18.621 6.961 194 HA LYS 24 HA LYS 24 -3.803 -18.781 9.533 195 HB2 LYS 24 1HB LYS 24 -0.933 -18.115 8.835 196 HB3 LYS 24 2HB LYS 24 -1.544 -18.325 10.476 197 HG2 LYS 24 1HG LYS 24 -2.284 -20.627 9.879 198 HG3 LYS 24 2HG LYS 24 -1.571 -20.420 8.281 199 HD2 LYS 24 1HD LYS 24 0.023 -20.098 10.836 200 HD3 LYS 24 2HD LYS 24 -0.123 -21.639 9.996 201 HE2 LYS 24 1HE LYS 24 0.727 -20.417 7.908 202 HE3 LYS 24 2HE LYS 24 1.151 -19.087 8.985 203 HZ1 LYS 24 3HZ LYS 24 2.753 -20.303 10.023 204 HZ2 LYS 24 1HZ LYS 24 2.853 -20.977 8.470 205 HZ3 LYS 24 2HZ LYS 24 2.010 -21.796 9.696 206 H PHE 25 H PHE 25 -3.481 -16.397 7.228 207 HA PHE 25 HA PHE 25 -4.080 -14.296 9.254 208 HB2 PHE 25 1HB PHE 25 -1.913 -14.146 7.143 209 HB3 PHE 25 2HB PHE 25 -2.568 -12.729 7.959 210 HD1 PHE 25 HD2 PHE 25 -2.323 -12.471 10.430 211 HD2 PHE 25 HD1 PHE 25 -0.415 -15.648 8.259 212 HE1 PHE 25 HE2 PHE 25 -0.820 -12.889 12.360 213 HE2 PHE 25 HE1 PHE 25 1.087 -16.066 10.187 214 HZ PHE 25 HZ PHE 25 0.883 -14.687 12.239 215 HA PRO 26 HA PRO 26 -6.865 -14.420 5.453 216 HB2 PRO 26 1HB PRO 26 -8.910 -13.987 7.593 217 HB3 PRO 26 2HB PRO 26 -8.921 -15.135 6.240 218 HG2 PRO 26 1HG PRO 26 -8.504 -15.937 8.758 219 HG3 PRO 26 2HG PRO 26 -7.683 -16.707 7.387 220 HD2 PRO 26 1HD PRO 26 -6.592 -14.736 9.374 221 HD3 PRO 26 2HD PRO 26 -5.795 -16.131 8.615 222 H ASP 27 H ASP 27 -6.595 -12.338 8.274 223 HA ASP 27 HA ASP 27 -8.029 -10.089 7.157 224 HB2 ASP 27 1HB ASP 27 -5.998 -10.330 9.395 225 HB3 ASP 27 2HB ASP 27 -6.825 -8.826 8.994 226 H TYR 28 H TYR 28 -5.081 -11.487 6.373 227 HA TYR 28 HA TYR 28 -3.870 -8.913 5.454 228 HB2 TYR 28 1HB TYR 28 -2.771 -11.699 5.880 229 HB3 TYR 28 2HB TYR 28 -1.885 -10.481 4.965 230 HD1 TYR 28 HD1 TYR 28 -3.803 -10.740 8.196 231 HD2 TYR 28 HD2 TYR 28 -0.362 -9.166 6.157 232 HE1 TYR 28 HE1 TYR 28 -3.017 -9.720 10.309 233 HE2 TYR 28 HE2 TYR 28 0.424 -8.151 8.277 234 HH TYR 28 HH TYR 28 -0.004 -8.759 10.872 235 H ALA 29 H ALA 29 -3.740 -8.464 3.304 236 HA ALA 29 HA ALA 29 -4.629 -10.580 1.360 237 HB1 ALA 29 3HB ALA 29 -6.383 -8.936 1.524 238 HB2 ALA 29 1HB ALA 29 -5.509 -8.615 0.027 239 HB3 ALA 29 2HB ALA 29 -5.223 -7.609 1.444 240 H VAL 30 H VAL 30 -3.480 -10.635 -0.603 241 HA VAL 30 HA VAL 30 -1.074 -8.840 -0.788 242 HB VAL 30 HB VAL 30 -1.325 -11.813 -1.311 243 HG11 VAL 30 1HG1 VAL 30 1.162 -11.539 -1.941 244 HG12 VAL 30 2HG1 VAL 30 0.794 -9.827 -2.152 245 HG13 VAL 30 3HG1 VAL 30 -0.027 -11.033 -3.142 246 HG21 VAL 30 3HG2 VAL 30 0.503 -10.172 0.468 247 HG22 VAL 30 1HG2 VAL 30 0.499 -11.930 0.335 248 HG23 VAL 30 2HG2 VAL 30 -0.896 -11.094 1.018 249 H PHE 31 H PHE 31 -0.920 -7.790 -2.693 250 HA PHE 31 HA PHE 31 -2.665 -8.682 -4.970 251 HB2 PHE 31 1HB PHE 31 -1.618 -5.922 -4.262 252 HB3 PHE 31 2HB PHE 31 -2.607 -6.308 -5.672 253 HD1 PHE 31 HD1 PHE 31 -4.951 -7.072 -5.397 254 HD2 PHE 31 HD2 PHE 31 -2.572 -5.820 -2.050 255 HE1 PHE 31 HE1 PHE 31 -6.998 -6.888 -4.010 256 HE2 PHE 31 HE2 PHE 31 -4.618 -5.637 -0.662 257 HZ PHE 31 HZ PHE 31 -6.832 -6.171 -1.643 258 H ARG 32 H ARG 32 -1.399 -9.737 -6.446 259 HA ARG 32 HA ARG 32 1.192 -8.453 -7.242 260 HB2 ARG 32 1HB ARG 32 0.695 -11.397 -6.700 261 HB3 ARG 32 2HB ARG 32 2.110 -10.783 -7.557 262 HG2 ARG 32 1HG ARG 32 2.756 -9.456 -5.609 263 HG3 ARG 32 2HG ARG 32 1.300 -9.962 -4.752 264 HD2 ARG 32 1HD ARG 32 3.176 -11.326 -3.998 265 HD3 ARG 32 2HD ARG 32 2.071 -12.335 -4.934 266 HE ARG 32 HE ARG 32 4.104 -11.227 -6.649 267 HH11 ARG 32 1HH2 ARG 32 3.485 -13.581 -4.200 268 HH12 ARG 32 2HH2 ARG 32 4.743 -14.649 -4.725 269 HH21 ARG 32 1HH1 ARG 32 5.751 -12.610 -7.342 270 HH22 ARG 32 2HH1 ARG 32 6.026 -14.099 -6.502 271 H HIS 33 H HIS 33 1.479 -8.392 -9.452 272 HA HIS 33 HA HIS 33 -0.762 -9.457 -11.111 273 HB2 HIS 33 1HB HIS 33 1.371 -7.377 -11.668 274 HB3 HIS 33 2HB HIS 33 0.152 -7.893 -12.834 275 HD1 HIS 33 HD1 HIS 33 0.474 -4.992 -11.349 276 HD2 HIS 33 HD2 HIS 33 -2.403 -7.915 -10.588 277 HE1 HIS 33 HE1 HIS 33 -1.489 -3.808 -10.274 278 H SER 34 H SER 34 -0.383 -11.343 -12.115 279 HA SER 34 HA SER 34 2.182 -12.594 -12.294 280 HB2 SER 34 1HB SER 34 -0.434 -13.061 -13.736 281 HB3 SER 34 2HB SER 34 0.978 -14.086 -13.975 282 HG SER 34 HG SER 34 0.875 -14.043 -11.477 283 H ASP 35 H ASP 35 0.338 -10.577 -14.546 284 HA ASP 35 HA ASP 35 1.952 -10.981 -16.860 285 HB2 ASP 35 1HB ASP 35 0.278 -8.635 -15.938 286 HB3 ASP 35 2HB ASP 35 1.072 -8.684 -17.512 287 H ASN 36 H ASN 36 2.209 -8.571 -14.233 288 HA ASN 36 HA ASN 36 4.727 -7.543 -15.414 289 HB2 ASN 36 1HB ASN 36 3.267 -6.706 -12.888 290 HB3 ASN 36 2HB ASN 36 4.607 -5.849 -13.650 291 HD21 ASN 36 2HD2 ASN 36 4.172 -4.705 -15.688 292 HD22 ASN 36 1HD2 ASN 36 2.581 -4.398 -16.199 293 H ASP 37 H ASP 37 3.964 -10.176 -13.714 294 HA ASP 37 HA ASP 37 5.099 -11.574 -12.216 295 HB2 ASP 37 1HB ASP 37 6.745 -11.417 -14.086 296 HB3 ASP 37 2HB ASP 37 7.510 -10.062 -13.257 297 H LYS 38 H LYS 38 7.385 -8.876 -11.912 298 HA LYS 38 HA LYS 38 7.611 -9.040 -9.113 299 HB2 LYS 38 1HB LYS 38 7.999 -6.690 -10.978 300 HB3 LYS 38 2HB LYS 38 8.470 -6.673 -9.279 301 HG2 LYS 38 1HG LYS 38 9.936 -8.620 -9.667 302 HG3 LYS 38 2HG LYS 38 9.467 -8.631 -11.368 303 HD2 LYS 38 1HD LYS 38 10.401 -6.393 -11.677 304 HD3 LYS 38 2HD LYS 38 10.802 -6.301 -9.962 305 HE2 LYS 38 1HE LYS 38 12.828 -6.946 -11.015 306 HE3 LYS 38 2HE LYS 38 12.180 -8.443 -10.345 307 HZ1 LYS 38 3HZ LYS 38 12.462 -9.193 -12.421 308 HZ2 LYS 38 1HZ LYS 38 12.505 -7.641 -13.104 309 HZ3 LYS 38 2HZ LYS 38 11.011 -8.372 -12.753 310 H TRP 39 H TRP 39 6.770 -5.841 -9.717 311 HA TRP 39 HA TRP 39 5.202 -4.505 -8.589 312 HB2 TRP 39 1HB TRP 39 3.980 -4.855 -10.622 313 HB3 TRP 39 2HB TRP 39 3.516 -6.486 -10.139 314 HD1 TRP 39 HD1 TRP 39 1.148 -6.638 -9.268 315 HE1 TRP 39 HE1 TRP 39 -0.492 -5.069 -8.053 316 HE3 TRP 39 HE3 TRP 39 4.083 -2.483 -8.798 317 HZ2 TRP 39 HZ2 TRP 39 -0.552 -2.413 -7.011 318 HZ3 TRP 39 HZ3 TRP 39 3.209 -0.452 -7.682 319 HH2 TRP 39 HH2 TRP 39 0.896 -0.415 -6.790 320 H TYR 40 H TYR 40 5.605 -4.949 -6.392 321 HA TYR 40 HA TYR 40 3.945 -7.111 -5.138 322 HB2 TYR 40 1HB TYR 40 6.395 -5.622 -4.149 323 HB3 TYR 40 2HB TYR 40 5.484 -6.794 -3.193 324 HD1 TYR 40 HD1 TYR 40 7.680 -6.329 -6.122 325 HD2 TYR 40 HD2 TYR 40 5.539 -9.168 -3.713 326 HE1 TYR 40 HE1 TYR 40 8.921 -8.183 -7.203 327 HE2 TYR 40 HE2 TYR 40 6.781 -11.022 -4.793 328 HH TYR 40 HH TYR 40 9.560 -10.595 -6.544 329 H ALA 41 H ALA 41 2.200 -6.456 -4.025 330 HA ALA 41 HA ALA 41 2.217 -3.901 -2.552 331 HB1 ALA 41 3HB ALA 41 1.372 -3.177 -4.733 332 HB2 ALA 41 1HB ALA 41 0.034 -3.212 -3.584 333 HB3 ALA 41 2HB ALA 41 0.219 -4.511 -4.762 334 H LEU 42 H LEU 42 1.199 -4.315 -0.616 335 HA LEU 42 HA LEU 42 -0.900 -6.445 -0.550 336 HB2 LEU 42 1HB LEU 42 0.162 -7.185 1.664 337 HB3 LEU 42 2HB LEU 42 0.988 -7.678 0.189 338 HG LEU 42 HG LEU 42 1.812 -5.048 1.381 339 HD11 LEU 42 1HD1 LEU 42 1.662 -6.497 3.368 340 HD12 LEU 42 2HD1 LEU 42 3.345 -6.153 2.964 341 HD13 LEU 42 3HD1 LEU 42 2.644 -7.718 2.556 342 HD21 LEU 42 3HD2 LEU 42 3.547 -7.317 0.382 343 HD22 LEU 42 1HD2 LEU 42 3.924 -5.598 0.444 344 HD23 LEU 42 2HD2 LEU 42 2.765 -6.203 -0.736 345 H LEU 43 H LEU 43 -2.467 -6.114 1.004 346 HA LEU 43 HA LEU 43 -2.318 -3.521 2.510 347 HB2 LEU 43 1HB LEU 43 -4.032 -3.710 0.632 348 HB3 LEU 43 2HB LEU 43 -4.819 -4.967 1.577 349 HG LEU 43 HG LEU 43 -4.231 -2.317 2.899 350 HD11 LEU 43 1HD1 LEU 43 -6.579 -2.856 1.062 351 HD12 LEU 43 2HD1 LEU 43 -5.287 -1.687 0.789 352 HD13 LEU 43 3HD1 LEU 43 -6.416 -1.456 2.122 353 HD21 LEU 43 3HD2 LEU 43 -6.326 -4.491 3.202 354 HD22 LEU 43 1HD2 LEU 43 -6.510 -2.903 3.946 355 HD23 LEU 43 2HD2 LEU 43 -5.155 -3.930 4.394 356 H MET 44 H MET 44 -2.397 -3.766 4.705 357 HA MET 44 HA MET 44 -3.836 -6.080 5.861 358 HB2 MET 44 1HB MET 44 -1.656 -6.479 7.308 359 HB3 MET 44 2HB MET 44 -1.795 -7.216 5.713 360 HG2 MET 44 1HG MET 44 -0.497 -5.413 4.714 361 HG3 MET 44 2HG MET 44 -0.444 -4.559 6.257 362 HE1 MET 44 3HE MET 44 3.186 -5.675 5.709 363 HE2 MET 44 1HE MET 44 2.284 -4.500 6.679 364 HE3 MET 44 2HE MET 44 1.932 -4.689 4.962 365 H ASP 45 H ASP 45 -3.953 -5.874 8.263 366 HA ASP 45 HA ASP 45 -4.043 -2.993 9.038 367 HB2 ASP 45 1HB ASP 45 -5.306 -5.493 10.192 368 HB3 ASP 45 2HB ASP 45 -5.384 -3.916 10.983 369 H ILE 46 H ILE 46 -2.715 -2.215 10.665 370 HA ILE 46 HA ILE 46 -1.203 -4.197 12.283 371 HB ILE 46 HB ILE 46 0.882 -2.836 11.960 372 HG12 ILE 46 1HG1 ILE 46 -0.562 -1.733 9.540 373 HG13 ILE 46 2HG1 ILE 46 -0.446 -0.835 11.054 374 HG21 ILE 46 1HG2 ILE 46 1.427 -3.890 9.834 375 HG22 ILE 46 2HG2 ILE 46 -0.283 -4.063 9.445 376 HG23 ILE 46 3HG2 ILE 46 0.416 -4.984 10.777 377 HD11 ILE 46 3HD1 ILE 46 1.388 -0.156 9.604 378 HD12 ILE 46 1HD1 ILE 46 1.867 -1.836 9.370 379 HD13 ILE 46 2HD1 ILE 46 2.043 -1.080 10.953 380 HA PRO 47 HA PRO 47 -2.276 -1.599 15.734 381 HB2 PRO 47 1HB PRO 47 0.603 -1.830 16.551 382 HB3 PRO 47 2HB PRO 47 -0.863 -2.143 17.496 383 HG2 PRO 47 1HG PRO 47 0.646 -4.126 16.514 384 HG3 PRO 47 2HG PRO 47 -1.116 -4.260 16.652 385 HD2 PRO 47 1HD PRO 47 0.549 -3.918 14.206 386 HD3 PRO 47 2HD PRO 47 -1.062 -4.646 14.401 387 H ALA 48 H ALA 48 -2.358 0.602 15.990 388 HA ALA 48 HA ALA 48 -0.878 2.386 14.296 389 HB1 ALA 48 3HB ALA 48 -1.896 4.098 16.050 390 HB2 ALA 48 1HB ALA 48 -2.777 2.675 16.606 391 HB3 ALA 48 2HB ALA 48 -2.959 3.228 14.943 392 H GLU 49 H GLU 49 -0.366 1.207 17.570 393 HA GLU 49 HA GLU 49 1.417 3.156 18.554 394 HB2 GLU 49 1HB GLU 49 2.400 1.231 19.887 395 HB3 GLU 49 2HB GLU 49 0.650 1.406 20.016 396 HG2 GLU 49 1HG GLU 49 0.330 -0.320 18.309 397 HG3 GLU 49 2HG GLU 49 2.077 -0.486 18.128 398 H LYS 50 H LYS 50 1.972 0.610 16.187 399 HA LYS 50 HA LYS 50 4.829 0.635 16.265 400 HB2 LYS 50 1HB LYS 50 2.887 -0.015 14.037 401 HB3 LYS 50 2HB LYS 50 4.629 -0.261 13.917 402 HG2 LYS 50 1HG LYS 50 4.586 -1.764 15.849 403 HG3 LYS 50 2HG LYS 50 2.865 -1.458 16.072 404 HD2 LYS 50 1HD LYS 50 2.950 -3.518 14.898 405 HD3 LYS 50 2HD LYS 50 2.556 -2.316 13.671 406 HE2 LYS 50 1HE LYS 50 4.794 -2.300 12.828 407 HE3 LYS 50 2HE LYS 50 5.405 -3.189 14.223 408 HZ1 LYS 50 3HZ LYS 50 3.546 -4.869 13.338 409 HZ2 LYS 50 1HZ LYS 50 5.168 -4.929 12.844 410 HZ3 LYS 50 2HZ LYS 50 4.011 -4.156 11.868 411 H ILE 51 H ILE 51 2.505 2.688 14.577 412 HA ILE 51 HA ILE 51 4.725 4.163 13.253 413 HB ILE 51 HB ILE 51 2.742 5.419 12.185 414 HG12 ILE 51 1HG1 ILE 51 1.270 3.063 13.420 415 HG13 ILE 51 2HG1 ILE 51 1.020 4.764 13.812 416 HG21 ILE 51 1HG2 ILE 51 2.945 2.433 11.681 417 HG22 ILE 51 2HG2 ILE 51 4.100 3.621 11.079 418 HG23 ILE 51 3HG2 ILE 51 2.429 3.661 10.526 419 HD11 ILE 51 3HD1 ILE 51 -0.705 4.085 12.267 420 HD12 ILE 51 1HD1 ILE 51 0.482 3.389 11.170 421 HD13 ILE 51 2HD1 ILE 51 0.413 5.135 11.395 422 H GLY 52 H GLY 52 3.178 4.252 16.176 423 HA2 GLY 52 1HA GLY 52 3.411 5.875 17.874 424 HA3 GLY 52 2HA GLY 52 4.189 6.933 16.698 425 H ILE 53 H ILE 53 0.978 5.488 16.286 426 HA ILE 53 HA ILE 53 -0.183 8.258 16.351 427 HB ILE 53 HB ILE 53 -0.957 5.795 14.783 428 HG12 ILE 53 1HG1 ILE 53 -0.314 8.665 14.029 429 HG13 ILE 53 2HG1 ILE 53 0.765 7.286 13.845 430 HG21 ILE 53 1HG2 ILE 53 -3.065 6.574 15.610 431 HG22 ILE 53 2HG2 ILE 53 -2.923 7.258 13.992 432 HG23 ILE 53 3HG2 ILE 53 -2.603 8.263 15.403 433 HD11 ILE 53 3HD1 ILE 53 -1.672 8.010 12.275 434 HD12 ILE 53 1HD1 ILE 53 -1.292 6.302 12.470 435 HD13 ILE 53 2HD1 ILE 53 -0.124 7.384 11.713 436 H ASN 54 H ASN 54 -1.829 8.692 17.713 437 HA ASN 54 HA ASN 54 -3.116 8.414 19.665 438 HB2 ASN 54 1HB ASN 54 -4.660 7.664 17.928 439 HB3 ASN 54 2HB ASN 54 -3.969 6.043 17.981 440 HD21 ASN 54 2HD2 ASN 54 -6.660 6.169 18.486 441 HD22 ASN 54 1HD2 ASN 54 -6.982 5.956 20.139 442 H GLY 55 H GLY 55 -3.037 4.961 19.082 443 HA2 GLY 55 1HA GLY 55 -0.964 4.495 21.102 444 HA3 GLY 55 2HA GLY 55 -2.596 4.092 21.639 445 H ASP 56 H ASP 56 -3.310 2.095 21.159 446 HA ASP 56 HA ASP 56 -1.803 0.481 19.134 447 HB2 ASP 56 1HB ASP 56 -1.774 -0.325 21.503 448 HB3 ASP 56 2HB ASP 56 -3.531 -0.452 21.447 449 H LYS 57 H LYS 57 -3.695 2.194 18.089 450 HA LYS 57 HA LYS 57 -6.197 0.634 17.756 451 HB2 LYS 57 1HB LYS 57 -6.322 3.088 18.061 452 HB3 LYS 57 2HB LYS 57 -5.370 3.314 16.593 453 HG2 LYS 57 1HG LYS 57 -7.093 2.195 15.270 454 HG3 LYS 57 2HG LYS 57 -8.031 1.873 16.727 455 HD2 LYS 57 1HD LYS 57 -8.250 4.305 17.119 456 HD3 LYS 57 2HD LYS 57 -7.327 4.622 15.649 457 HE2 LYS 57 1HE LYS 57 -9.041 3.464 14.311 458 HE3 LYS 57 2HE LYS 57 -9.964 3.129 15.777 459 HZ1 LYS 57 3HZ LYS 57 -10.671 5.247 15.927 460 HZ2 LYS 57 1HZ LYS 57 -10.365 5.267 14.259 461 HZ3 LYS 57 2HZ LYS 57 -9.219 5.903 15.338 462 H ARG 58 H ARG 58 -6.527 -0.671 16.020 463 HA ARG 58 HA ARG 58 -4.395 -1.153 14.129 464 HB2 ARG 58 1HB ARG 58 -7.265 -2.094 14.302 465 HB3 ARG 58 2HB ARG 58 -6.153 -2.638 13.045 466 HG2 ARG 58 1HG ARG 58 -4.601 -3.479 14.757 467 HG3 ARG 58 2HG ARG 58 -5.679 -2.903 16.029 468 HD2 ARG 58 1HD ARG 58 -7.450 -4.412 15.242 469 HD3 ARG 58 2HD ARG 58 -6.414 -4.959 13.926 470 HE ARG 58 HE ARG 58 -5.143 -6.236 15.489 471 HH11 ARG 58 1HH2 ARG 58 -7.439 -4.146 16.999 472 HH12 ARG 58 2HH2 ARG 58 -7.306 -4.907 18.548 473 HH21 ARG 58 1HH1 ARG 58 -4.961 -7.237 17.503 474 HH22 ARG 58 2HH1 ARG 58 -5.906 -6.656 18.834 475 H VAL 59 H VAL 59 -4.143 -0.372 12.060 476 HA VAL 59 HA VAL 59 -6.369 1.248 10.866 477 HB VAL 59 HB VAL 59 -4.693 2.894 10.103 478 HG11 VAL 59 1HG1 VAL 59 -5.986 3.064 12.311 479 HG12 VAL 59 2HG1 VAL 59 -4.540 4.065 12.174 480 HG13 VAL 59 3HG1 VAL 59 -4.490 2.566 13.100 481 HG21 VAL 59 3HG2 VAL 59 -2.852 1.078 11.674 482 HG22 VAL 59 1HG2 VAL 59 -2.452 2.778 11.434 483 HG23 VAL 59 2HG2 VAL 59 -2.643 1.713 10.043 484 H ASP 60 H ASP 60 -6.028 1.552 8.462 485 HA ASP 60 HA ASP 60 -5.003 -0.998 7.332 486 HB2 ASP 60 1HB ASP 60 -6.599 1.291 6.149 487 HB3 ASP 60 2HB ASP 60 -6.098 -0.136 5.240 488 H VAL 61 H VAL 61 -3.149 -1.121 6.101 489 HA VAL 61 HA VAL 61 -1.916 1.423 5.119 490 HB VAL 61 HB VAL 61 0.228 0.867 5.998 491 HG11 VAL 61 1HG1 VAL 61 -1.602 0.027 8.249 492 HG12 VAL 61 2HG1 VAL 61 -1.632 1.671 7.617 493 HG13 VAL 61 3HG1 VAL 61 -0.152 1.028 8.321 494 HG21 VAL 61 3HG2 VAL 61 -1.024 -1.827 6.586 495 HG22 VAL 61 1HG2 VAL 61 0.481 -1.312 7.349 496 HG23 VAL 61 2HG2 VAL 61 0.393 -1.481 5.596 497 H ILE 62 H ILE 62 -0.362 1.053 3.369 498 HA ILE 62 HA ILE 62 -0.579 -1.622 2.047 499 HB ILE 62 HB ILE 62 -0.919 -0.507 -0.124 500 HG12 ILE 62 1HG1 ILE 62 -1.106 2.018 1.560 501 HG13 ILE 62 2HG1 ILE 62 0.163 1.644 0.394 502 HG21 ILE 62 1HG2 ILE 62 -3.242 0.077 0.212 503 HG22 ILE 62 2HG2 ILE 62 -2.948 0.438 1.914 504 HG23 ILE 62 3HG2 ILE 62 -2.841 -1.223 1.334 505 HD11 ILE 62 3HD1 ILE 62 -2.765 2.145 -0.168 506 HD12 ILE 62 1HD1 ILE 62 -1.671 1.442 -1.360 507 HD13 ILE 62 2HD1 ILE 62 -1.380 3.072 -0.748 508 H ASP 63 H ASP 63 1.272 -2.195 0.849 509 HA ASP 63 HA ASP 63 3.640 -0.393 1.265 510 HB2 ASP 63 1HB ASP 63 3.432 -3.396 1.011 511 HB3 ASP 63 2HB ASP 63 4.963 -2.520 0.976 512 H LEU 64 H LEU 64 4.876 0.173 -0.479 513 HA LEU 64 HA LEU 64 4.204 -0.995 -3.140 514 HB2 LEU 64 1HB LEU 64 4.527 1.479 -3.978 515 HB3 LEU 64 2HB LEU 64 2.964 0.934 -3.381 516 HG LEU 64 HG LEU 64 3.858 1.804 -1.042 517 HD11 LEU 64 1HD1 LEU 64 6.160 2.245 -1.815 518 HD12 LEU 64 2HD1 LEU 64 5.365 3.728 -1.292 519 HD13 LEU 64 3HD1 LEU 64 5.533 3.382 -3.013 520 HD21 LEU 64 3HD2 LEU 64 1.957 2.726 -2.253 521 HD22 LEU 64 1HD2 LEU 64 3.048 3.631 -3.306 522 HD23 LEU 64 2HD2 LEU 64 2.947 4.030 -1.588 523 H LYS 65 H LYS 65 5.921 -0.452 -4.773 524 HA LYS 65 HA LYS 65 8.597 -0.430 -3.428 525 HB2 LYS 65 1HB LYS 65 9.398 -1.464 -5.541 526 HB3 LYS 65 2HB LYS 65 8.163 -2.429 -4.736 527 HG2 LYS 65 1HG LYS 65 6.943 -2.399 -6.661 528 HG3 LYS 65 2HG LYS 65 6.721 -0.667 -6.452 529 HD2 LYS 65 1HD LYS 65 7.658 -0.888 -8.610 530 HD3 LYS 65 2HD LYS 65 9.025 -0.417 -7.604 531 HE2 LYS 65 1HE LYS 65 9.712 -2.777 -7.414 532 HE3 LYS 65 2HE LYS 65 8.323 -3.263 -8.388 533 HZ1 LYS 65 3HZ LYS 65 9.443 -1.396 -9.941 534 HZ2 LYS 65 1HZ LYS 65 9.762 -3.057 -10.072 535 HZ3 LYS 65 2HZ LYS 65 10.822 -2.056 -9.200 536 H VAL 66 H VAL 66 9.981 1.245 -3.814 537 HA VAL 66 HA VAL 66 9.478 3.003 -6.179 538 HB VAL 66 HB VAL 66 9.622 5.001 -4.879 539 HG11 VAL 66 1HG1 VAL 66 7.472 3.415 -4.772 540 HG12 VAL 66 2HG1 VAL 66 7.548 4.894 -3.828 541 HG13 VAL 66 3HG1 VAL 66 7.885 3.347 -3.058 542 HG21 VAL 66 3HG2 VAL 66 9.896 4.836 -2.348 543 HG22 VAL 66 1HG2 VAL 66 11.336 4.426 -3.276 544 HG23 VAL 66 2HG2 VAL 66 10.342 3.147 -2.580 545 H GLN 67 H GLN 67 11.341 4.394 -6.674 546 HA GLN 67 HA GLN 67 13.729 2.817 -6.628 547 HB2 GLN 67 1HB GLN 67 12.963 4.502 -8.415 548 HB3 GLN 67 2HB GLN 67 13.607 5.748 -7.346 549 HG2 GLN 67 1HG GLN 67 15.806 4.715 -7.394 550 HG3 GLN 67 2HG GLN 67 15.186 3.366 -8.344 551 HE21 GLN 67 2HE2 GLN 67 13.523 5.988 -9.493 552 HE22 GLN 67 1HE2 GLN 67 14.548 6.444 -10.766 553 HA PRO 68 HA PRO 68 15.402 4.027 -2.596 554 HB2 PRO 68 1HB PRO 68 17.977 4.171 -4.148 555 HB3 PRO 68 2HB PRO 68 17.643 3.373 -2.597 556 HG2 PRO 68 1HG PRO 68 17.844 1.998 -4.898 557 HG3 PRO 68 2HG PRO 68 16.744 1.510 -3.597 558 HD2 PRO 68 1HD PRO 68 16.090 2.674 -6.247 559 HD3 PRO 68 2HD PRO 68 15.069 1.727 -5.143 560 H GLU 69 H GLU 69 16.445 5.784 -5.523 561 HA GLU 69 HA GLU 69 17.303 8.147 -4.086 562 HB2 GLU 69 1HB GLU 69 16.597 7.675 -6.993 563 HB3 GLU 69 2HB GLU 69 17.246 9.196 -6.375 564 HG2 GLU 69 1HG GLU 69 19.251 8.045 -5.565 565 HG3 GLU 69 2HG GLU 69 18.598 6.495 -6.102 566 H LEU 70 H LEU 70 14.245 7.108 -5.516 567 HA LEU 70 HA LEU 70 13.028 9.768 -5.033 568 HB2 LEU 70 1HB LEU 70 11.815 7.222 -6.158 569 HB3 LEU 70 2HB LEU 70 11.060 8.816 -6.151 570 HG LEU 70 HG LEU 70 13.658 8.104 -7.553 571 HD11 LEU 70 1HD1 LEU 70 11.476 7.205 -8.527 572 HD12 LEU 70 2HD1 LEU 70 12.444 8.215 -9.600 573 HD13 LEU 70 3HD1 LEU 70 11.019 8.886 -8.806 574 HD21 LEU 70 3HD2 LEU 70 13.908 10.381 -7.085 575 HD22 LEU 70 1HD2 LEU 70 12.172 10.694 -7.136 576 HD23 LEU 70 2HD2 LEU 70 13.074 10.451 -8.633 577 H VAL 71 H VAL 71 13.761 7.287 -3.055 578 HA VAL 71 HA VAL 71 11.315 6.684 -1.686 579 HB VAL 71 HB VAL 71 13.502 5.487 -1.344 580 HG11 VAL 71 1HG1 VAL 71 15.302 6.461 -0.209 581 HG12 VAL 71 2HG1 VAL 71 14.298 7.704 0.537 582 HG13 VAL 71 3HG1 VAL 71 14.720 7.819 -1.171 583 HG21 VAL 71 3HG2 VAL 71 13.135 5.055 0.993 584 HG22 VAL 71 1HG2 VAL 71 11.562 5.447 0.297 585 HG23 VAL 71 2HG2 VAL 71 12.431 6.656 1.243 586 H GLY 72 H GLY 72 13.455 9.463 -1.614 587 HA2 GLY 72 1HA GLY 72 12.658 10.615 0.851 588 HA3 GLY 72 2HA GLY 72 13.217 11.539 -0.546 589 H SER 73 H SER 73 11.154 10.767 -2.372 590 HA SER 73 HA SER 73 9.143 12.680 -1.780 591 HB2 SER 73 1HB SER 73 7.910 11.664 -3.658 592 HB3 SER 73 2HB SER 73 9.610 11.910 -4.052 593 HG SER 73 HG SER 73 9.699 9.853 -4.386 594 H LEU 74 H LEU 74 9.196 9.159 -1.323 595 HA LEU 74 HA LEU 74 6.478 8.955 -0.405 596 HB2 LEU 74 1HB LEU 74 8.938 7.222 -0.170 597 HB3 LEU 74 2HB LEU 74 7.431 6.754 0.600 598 HG LEU 74 HG LEU 74 7.866 5.789 -1.709 599 HD11 LEU 74 1HD1 LEU 74 5.563 6.076 -0.572 600 HD12 LEU 74 2HD1 LEU 74 5.603 5.775 -2.308 601 HD13 LEU 74 3HD1 LEU 74 5.333 7.407 -1.703 602 HD21 LEU 74 3HD2 LEU 74 8.782 7.943 -2.603 603 HD22 LEU 74 1HD2 LEU 74 7.139 8.583 -2.625 604 HD23 LEU 74 2HD2 LEU 74 7.563 7.202 -3.635 605 H ARG 75 H ARG 75 9.585 9.193 1.346 606 HA ARG 75 HA ARG 75 8.285 9.115 3.945 607 HB2 ARG 75 1HB ARG 75 11.103 9.743 3.053 608 HB3 ARG 75 2HB ARG 75 10.607 9.749 4.748 609 HG2 ARG 75 1HG ARG 75 9.901 7.409 4.579 610 HG3 ARG 75 2HG ARG 75 10.302 7.396 2.859 611 HD2 ARG 75 1HD ARG 75 12.152 6.398 4.084 612 HD3 ARG 75 2HD ARG 75 12.669 7.965 3.459 613 HE ARG 75 HE ARG 75 11.609 8.307 6.100 614 HH11 ARG 75 1HH2 ARG 75 14.280 6.990 4.351 615 HH12 ARG 75 2HH2 ARG 75 15.405 7.210 5.650 616 HH21 ARG 75 1HH1 ARG 75 13.066 8.593 7.801 617 HH22 ARG 75 2HH1 ARG 75 14.719 8.118 7.601 618 H LYS 76 H LYS 76 9.565 11.690 1.859 619 HA LYS 76 HA LYS 76 9.242 13.720 3.900 620 HB2 LYS 76 1HB LYS 76 9.748 15.320 2.176 621 HB3 LYS 76 2HB LYS 76 10.782 13.916 1.932 622 HG2 LYS 76 1HG LYS 76 10.050 14.012 -0.225 623 HG3 LYS 76 2HG LYS 76 8.604 13.216 0.396 624 HD2 LYS 76 1HD LYS 76 7.478 15.365 0.630 625 HD3 LYS 76 2HD LYS 76 8.948 16.225 0.171 626 HE2 LYS 76 1HE LYS 76 8.888 15.179 -2.057 627 HE3 LYS 76 2HE LYS 76 7.443 14.275 -1.612 628 HZ1 LYS 76 3HZ LYS 76 7.732 17.059 -2.332 629 HZ2 LYS 76 1HZ LYS 76 6.729 16.777 -0.994 630 HZ3 LYS 76 2HZ LYS 76 6.388 16.030 -2.481 631 H LYS 77 H LYS 77 6.973 11.932 2.295 632 HA LYS 77 HA LYS 77 5.033 14.164 2.047 633 HB2 LYS 77 1HB LYS 77 5.030 11.273 1.195 634 HB3 LYS 77 2HB LYS 77 3.538 12.214 1.212 635 HG2 LYS 77 1HG LYS 77 5.954 13.384 -0.132 636 HG3 LYS 77 2HG LYS 77 5.056 12.127 -0.972 637 HD2 LYS 77 1HD LYS 77 3.776 14.634 0.163 638 HD3 LYS 77 2HD LYS 77 4.305 14.479 -1.509 639 HE2 LYS 77 1HE LYS 77 2.146 13.763 -1.843 640 HE3 LYS 77 2HE LYS 77 2.758 12.219 -1.253 641 HZ1 LYS 77 3HZ LYS 77 0.697 13.425 -0.166 642 HZ2 LYS 77 1HZ LYS 77 1.914 14.187 0.736 643 HZ3 LYS 77 2HZ LYS 77 1.777 12.494 0.756 644 HA PRO 78 HA PRO 78 3.442 13.149 6.095 645 HB2 PRO 78 1HB PRO 78 1.008 14.395 5.990 646 HB3 PRO 78 2HB PRO 78 2.540 15.281 6.128 647 HG2 PRO 78 1HG PRO 78 0.873 14.767 3.701 648 HG3 PRO 78 2HG PRO 78 1.691 16.255 4.209 649 HD2 PRO 78 1HD PRO 78 2.739 14.580 2.318 650 HD3 PRO 78 2HD PRO 78 3.755 15.561 3.399 651 H GLY 79 H GLY 79 2.179 11.560 7.067 652 HA2 GLY 79 1HA GLY 79 0.357 10.007 7.235 653 HA3 GLY 79 2HA GLY 79 -0.033 10.306 5.541 654 H ILE 80 H ILE 80 3.032 9.996 5.080 655 HA ILE 80 HA ILE 80 2.870 7.066 4.649 656 HB ILE 80 HB ILE 80 4.826 9.161 3.669 657 HG12 ILE 80 1HG1 ILE 80 3.741 8.363 1.434 658 HG13 ILE 80 2HG1 ILE 80 2.471 7.687 2.449 659 HG21 ILE 80 1HG2 ILE 80 6.117 7.200 3.778 660 HG22 ILE 80 2HG2 ILE 80 5.497 7.179 2.127 661 HG23 ILE 80 3HG2 ILE 80 4.754 6.162 3.362 662 HD11 ILE 80 3HD1 ILE 80 1.780 9.791 3.207 663 HD12 ILE 80 1HD1 ILE 80 2.166 10.098 1.521 664 HD13 ILE 80 2HD1 ILE 80 3.299 10.565 2.786 665 H TYR 81 H TYR 81 3.924 5.672 5.941 666 HA TYR 81 HA TYR 81 5.982 6.768 7.806 667 HB2 TYR 81 1HB TYR 81 4.039 4.485 8.097 668 HB3 TYR 81 2HB TYR 81 5.382 4.754 9.210 669 HD1 TYR 81 HD2 TYR 81 2.328 6.309 7.768 670 HD2 TYR 81 HD1 TYR 81 5.285 6.455 10.878 671 HE1 TYR 81 HE2 TYR 81 0.998 8.035 8.950 672 HE2 TYR 81 HE1 TYR 81 3.957 8.183 12.061 673 HH TYR 81 HH TYR 81 2.165 9.491 11.987 674 HA PRO 82 HA PRO 82 8.925 4.178 5.561 675 HB2 PRO 82 1HB PRO 82 10.357 3.985 8.178 676 HB3 PRO 82 2HB PRO 82 10.960 4.521 6.599 677 HG2 PRO 82 1HG PRO 82 10.440 6.239 8.608 678 HG3 PRO 82 2HG PRO 82 10.246 6.670 6.901 679 HD2 PRO 82 1HD PRO 82 8.145 6.102 8.941 680 HD3 PRO 82 2HD PRO 82 8.089 7.133 7.492 681 H ALA 83 H ALA 83 9.372 1.914 5.434 682 HA ALA 83 HA ALA 83 7.490 0.171 6.652 683 HB1 ALA 83 3HB ALA 83 8.568 -1.558 5.488 684 HB2 ALA 83 1HB ALA 83 10.153 -0.797 5.630 685 HB3 ALA 83 2HB ALA 83 8.952 -0.136 4.521 686 H TYR 84 H TYR 84 7.621 -1.241 8.394 687 HA TYR 84 HA TYR 84 9.728 -0.652 10.398 688 HB2 TYR 84 1HB TYR 84 8.272 -1.883 11.949 689 HB3 TYR 84 2HB TYR 84 7.349 -0.647 11.098 690 HD1 TYR 84 HD2 TYR 84 5.795 -1.271 9.265 691 HD2 TYR 84 HD1 TYR 84 7.856 -4.242 11.586 692 HE1 TYR 84 HE2 TYR 84 4.218 -3.003 8.448 693 HE2 TYR 84 HE1 TYR 84 6.276 -5.972 10.771 694 HH TYR 84 HH TYR 84 4.582 -5.883 8.260 695 H HIS 85 H HIS 85 10.062 -2.382 7.864 696 HA HIS 85 HA HIS 85 11.450 -4.595 9.266 697 HB2 HIS 85 1HB HIS 85 10.483 -6.253 7.613 698 HB3 HIS 85 2HB HIS 85 9.345 -5.652 8.818 699 HD1 HIS 85 HD1 HIS 85 9.857 -5.926 5.207 700 HD2 HIS 85 HD2 HIS 85 7.613 -3.499 7.746 701 HE1 HIS 85 HE1 HIS 85 8.090 -4.823 3.767 702 H MET 86 H MET 86 12.811 -5.860 7.688 703 HA MET 86 HA MET 86 14.717 -4.338 6.421 704 HB2 MET 86 1HB MET 86 13.725 -7.098 5.687 705 HB3 MET 86 2HB MET 86 15.185 -6.381 5.005 706 HG2 MET 86 1HG MET 86 16.097 -6.089 7.289 707 HG3 MET 86 2HG MET 86 14.650 -6.845 7.954 708 HE1 MET 86 3HE MET 86 15.749 -8.843 9.181 709 HE2 MET 86 1HE MET 86 17.197 -7.878 8.861 710 HE3 MET 86 2HE MET 86 17.210 -9.616 8.571 711 H ASN 87 H ASN 87 15.235 -4.404 3.973 712 HA ASN 87 HA ASN 87 14.759 -3.550 1.857 713 HB2 ASN 87 1HB ASN 87 12.185 -5.069 2.376 714 HB3 ASN 87 2HB ASN 87 12.587 -4.320 0.833 715 HD21 ASN 87 2HD2 ASN 87 12.487 -7.294 1.956 716 HD22 ASN 87 1HD2 ASN 87 13.915 -7.960 1.325 717 H LYS 88 H LYS 88 14.250 -1.905 4.172 718 HA LYS 88 HA LYS 88 11.783 -0.478 3.992 719 HB2 LYS 88 1HB LYS 88 13.404 -0.343 5.894 720 HB3 LYS 88 2HB LYS 88 14.492 0.569 4.851 721 HG2 LYS 88 1HG LYS 88 12.833 2.339 4.593 722 HG3 LYS 88 2HG LYS 88 11.656 1.404 5.515 723 HD2 LYS 88 1HD LYS 88 12.570 2.955 7.078 724 HD3 LYS 88 2HD LYS 88 13.347 1.420 7.436 725 HE2 LYS 88 1HE LYS 88 15.375 2.081 6.369 726 HE3 LYS 88 2HE LYS 88 14.604 3.464 5.592 727 HZ1 LYS 88 3HZ LYS 88 15.861 4.216 7.470 728 HZ2 LYS 88 1HZ LYS 88 15.099 3.103 8.497 729 HZ3 LYS 88 2HZ LYS 88 14.210 4.388 7.830 730 H GLU 89 H GLU 89 14.947 0.072 2.438 731 HA GLU 89 HA GLU 89 14.192 2.505 1.121 732 HB2 GLU 89 1HB GLU 89 16.272 0.409 0.433 733 HB3 GLU 89 2HB GLU 89 16.141 1.970 -0.376 734 HG2 GLU 89 1HG GLU 89 16.497 3.132 1.756 735 HG3 GLU 89 2HG GLU 89 16.567 1.585 2.603 736 H HIS 90 H HIS 90 14.162 -0.898 0.045 737 HA HIS 90 HA HIS 90 13.197 -0.306 -2.596 738 HB2 HIS 90 1HB HIS 90 13.119 -2.819 -0.916 739 HB3 HIS 90 2HB HIS 90 12.565 -2.755 -2.589 740 HD1 HIS 90 HD1 HIS 90 15.023 -0.508 -3.054 741 HD2 HIS 90 HD2 HIS 90 15.271 -4.521 -1.958 742 HE1 HIS 90 HE1 HIS 90 17.350 -1.280 -3.687 743 H TRP 91 H TRP 91 11.513 -1.401 0.370 744 HA TRP 91 HA TRP 91 8.912 -0.660 -0.940 745 HB2 TRP 91 1HB TRP 91 9.257 -2.542 1.397 746 HB3 TRP 91 2HB TRP 91 7.859 -2.363 0.336 747 HD1 TRP 91 HD1 TRP 91 9.467 -2.334 -2.433 748 HE1 TRP 91 HE1 TRP 91 10.469 -4.526 -3.321 749 HE3 TRP 91 HE3 TRP 91 9.668 -5.021 1.901 750 HZ2 TRP 91 HZ2 TRP 91 11.256 -7.085 -2.331 751 HZ3 TRP 91 HZ3 TRP 91 10.552 -7.336 1.898 752 HH2 TRP 91 HH2 TRP 91 11.346 -8.371 -0.211 753 H ILE 92 H ILE 92 7.453 0.594 0.210 754 HA ILE 92 HA ILE 92 8.351 1.668 2.861 755 HB ILE 92 HB ILE 92 7.041 3.284 0.652 756 HG12 ILE 92 1HG1 ILE 92 9.470 2.497 0.202 757 HG13 ILE 92 2HG1 ILE 92 9.135 4.218 0.073 758 HG21 ILE 92 1HG2 ILE 92 7.952 5.168 2.180 759 HG22 ILE 92 2HG2 ILE 92 8.093 3.914 3.404 760 HG23 ILE 92 3HG2 ILE 92 6.518 4.292 2.707 761 HD11 ILE 92 3HD1 ILE 92 11.242 3.421 1.405 762 HD12 ILE 92 1HD1 ILE 92 10.091 3.087 2.693 763 HD13 ILE 92 2HD1 ILE 92 10.250 4.721 2.066 764 H THR 93 H THR 93 6.582 2.285 4.258 765 HA THR 93 HA THR 93 4.031 0.899 3.532 766 HB THR 93 HB THR 93 5.199 1.786 6.183 767 HG1 THR 93 HG1 THR 93 4.846 -0.637 4.809 768 HG21 THR 93 3HG2 THR 93 3.175 0.430 7.051 769 HG22 THR 93 1HG2 THR 93 2.489 0.681 5.446 770 HG23 THR 93 2HG2 THR 93 2.868 2.067 6.469 771 H VAL 94 H VAL 94 2.167 2.039 3.311 772 HA VAL 94 HA VAL 94 2.233 4.983 3.905 773 HB VAL 94 HB VAL 94 0.891 3.462 1.660 774 HG11 VAL 94 1HG1 VAL 94 0.527 6.293 2.647 775 HG12 VAL 94 2HG1 VAL 94 -0.714 5.085 2.310 776 HG13 VAL 94 3HG1 VAL 94 0.171 5.836 0.982 777 HG21 VAL 94 3HG2 VAL 94 3.098 5.524 1.828 778 HG22 VAL 94 1HG2 VAL 94 2.236 5.195 0.326 779 HG23 VAL 94 2HG2 VAL 94 3.163 3.916 1.109 780 H LEU 95 H LEU 95 0.577 5.757 5.134 781 HA LEU 95 HA LEU 95 -1.266 3.766 6.305 782 HB2 LEU 95 1HB LEU 95 -0.060 5.351 7.761 783 HB3 LEU 95 2HB LEU 95 -0.812 6.703 6.917 784 HG LEU 95 HG LEU 95 -3.047 5.887 7.631 785 HD11 LEU 95 1HD1 LEU 95 -2.853 4.150 9.604 786 HD12 LEU 95 2HD1 LEU 95 -1.374 3.673 8.779 787 HD13 LEU 95 3HD1 LEU 95 -2.923 3.588 7.939 788 HD21 LEU 95 3HD2 LEU 95 -1.154 6.134 9.979 789 HD22 LEU 95 1HD2 LEU 95 -2.858 6.583 9.933 790 HD23 LEU 95 2HD2 LEU 95 -1.677 7.503 9.001 791 H LEU 96 H LEU 96 -3.189 3.448 5.316 792 HA LEU 96 HA LEU 96 -4.336 5.243 3.383 793 HB2 LEU 96 1HB LEU 96 -5.330 2.849 4.925 794 HB3 LEU 96 2HB LEU 96 -6.442 3.766 3.911 795 HG LEU 96 HG LEU 96 -3.808 2.823 2.766 796 HD11 LEU 96 1HD1 LEU 96 -4.600 0.748 3.564 797 HD12 LEU 96 2HD1 LEU 96 -5.249 0.811 1.926 798 HD13 LEU 96 3HD1 LEU 96 -6.289 1.182 3.301 799 HD21 LEU 96 3HD2 LEU 96 -5.523 4.426 1.615 800 HD22 LEU 96 1HD2 LEU 96 -6.513 2.982 1.419 801 HD23 LEU 96 2HD2 LEU 96 -4.915 3.062 0.684 802 H ASN 97 H ASN 97 -4.885 4.658 6.828 803 HA ASN 97 HA ASN 97 -7.090 6.503 7.053 804 HB2 ASN 97 1HB ASN 97 -5.221 5.223 9.052 805 HB3 ASN 97 2HB ASN 97 -6.507 6.328 9.538 806 HD21 ASN 97 2HD2 ASN 97 -5.822 3.054 8.697 807 HD22 ASN 97 1HD2 ASN 97 -7.426 2.506 8.617 808 H GLY 98 H GLY 98 -3.994 7.071 6.233 809 HA2 GLY 98 1HA GLY 98 -3.025 9.089 7.935 810 HA3 GLY 98 2HA GLY 98 -2.647 8.984 6.220 811 HA PRO 99 HA PRO 99 -5.518 12.669 7.152 812 HB2 PRO 99 1HB PRO 99 -3.724 14.702 7.302 813 HB3 PRO 99 2HB PRO 99 -4.112 13.697 8.714 814 HG2 PRO 99 1HG PRO 99 -1.776 13.511 6.854 815 HG3 PRO 99 2HG PRO 99 -1.806 13.435 8.626 816 HD2 PRO 99 1HD PRO 99 -1.684 11.190 7.058 817 HD3 PRO 99 2HD PRO 99 -2.467 11.207 8.654 818 H LEU 100 H LEU 100 -3.147 11.736 4.899 819 HA LEU 100 HA LEU 100 -3.416 13.983 3.081 820 HB2 LEU 100 1HB LEU 100 -2.366 12.197 1.440 821 HB3 LEU 100 2HB LEU 100 -1.395 12.899 2.724 822 HG LEU 100 HG LEU 100 -1.785 10.951 4.140 823 HD11 LEU 100 1HD1 LEU 100 -2.932 8.943 2.939 824 HD12 LEU 100 2HD1 LEU 100 -3.641 10.175 1.890 825 HD13 LEU 100 3HD1 LEU 100 -3.962 10.199 3.626 826 HD21 LEU 100 3HD2 LEU 100 0.002 10.979 2.317 827 HD22 LEU 100 1HD2 LEU 100 -1.086 9.959 1.374 828 HD23 LEU 100 2HD2 LEU 100 -0.466 9.388 2.921 829 H GLY 101 H GLY 101 -4.283 13.752 0.855 830 HA2 GLY 101 1HA GLY 101 -6.991 12.685 0.955 831 HA3 GLY 101 2HA GLY 101 -6.266 13.549 -0.396 832 H ALA 102 H ALA 102 -7.848 11.295 -0.811 833 HA ALA 102 HA ALA 102 -6.402 8.836 -1.059 834 HB1 ALA 102 3HB ALA 102 -8.784 8.756 -1.203 835 HB2 ALA 102 1HB ALA 102 -8.204 8.360 -2.821 836 HB3 ALA 102 2HB ALA 102 -8.821 9.976 -2.475 837 H LYS 103 H LYS 103 -6.757 11.651 -3.167 838 HA LYS 103 HA LYS 103 -5.584 10.538 -5.519 839 HB2 LYS 103 1HB LYS 103 -5.626 13.382 -4.466 840 HB3 LYS 103 2HB LYS 103 -5.080 12.939 -6.083 841 HG2 LYS 103 1HG LYS 103 -7.287 11.964 -6.576 842 HG3 LYS 103 2HG LYS 103 -7.839 12.378 -4.952 843 HD2 LYS 103 1HD LYS 103 -7.388 14.778 -5.441 844 HD3 LYS 103 2HD LYS 103 -6.945 14.335 -7.090 845 HE2 LYS 103 1HE LYS 103 -9.641 13.784 -5.815 846 HE3 LYS 103 2HE LYS 103 -9.305 15.107 -6.931 847 HZ1 LYS 103 3HZ LYS 103 -9.182 13.720 -8.690 848 HZ2 LYS 103 1HZ LYS 103 -10.196 12.757 -7.730 849 HZ3 LYS 103 2HZ LYS 103 -8.529 12.435 -7.792 850 H GLU 104 H GLU 104 -4.152 12.119 -2.676 851 HA GLU 104 HA GLU 104 -1.474 12.240 -3.649 852 HB2 GLU 104 1HB GLU 104 -2.534 11.935 -0.836 853 HB3 GLU 104 2HB GLU 104 -0.864 12.336 -1.228 854 HG2 GLU 104 1HG GLU 104 -3.276 13.974 -2.075 855 HG3 GLU 104 2HG GLU 104 -2.238 14.354 -0.701 856 H ILE 105 H ILE 105 -3.231 9.714 -1.867 857 HA ILE 105 HA ILE 105 -0.997 7.936 -1.585 858 HB ILE 105 HB ILE 105 -3.939 7.238 -1.819 859 HG12 ILE 105 1HG1 ILE 105 -2.297 7.858 0.657 860 HG13 ILE 105 2HG1 ILE 105 -3.419 8.989 -0.102 861 HG21 ILE 105 1HG2 ILE 105 -3.273 5.287 -0.430 862 HG22 ILE 105 2HG2 ILE 105 -1.591 5.801 -0.547 863 HG23 ILE 105 3HG2 ILE 105 -2.460 5.293 -1.995 864 HD11 ILE 105 3HD1 ILE 105 -5.219 7.231 0.164 865 HD12 ILE 105 1HD1 ILE 105 -4.619 7.901 1.679 866 HD13 ILE 105 2HD1 ILE 105 -4.079 6.310 1.143 867 H HIS 106 H HIS 106 -3.530 8.213 -4.077 868 HA HIS 106 HA HIS 106 -2.639 5.989 -5.658 869 HB2 HIS 106 1HB HIS 106 -4.176 8.493 -6.410 870 HB3 HIS 106 2HB HIS 106 -3.955 7.109 -7.479 871 HD1 HIS 106 HD1 HIS 106 -6.796 7.634 -6.853 872 HD2 HIS 106 HD2 HIS 106 -4.427 5.363 -4.281 873 HE1 HIS 106 HE1 HIS 106 -8.385 6.237 -5.463 874 H SER 107 H SER 107 -1.815 9.445 -5.678 875 HA SER 107 HA SER 107 -0.293 9.476 -8.074 876 HB2 SER 107 1HB SER 107 0.102 11.062 -5.519 877 HB3 SER 107 2HB SER 107 0.833 11.453 -7.073 878 HG SER 107 HG SER 107 -1.922 11.372 -6.391 879 H LEU 108 H LEU 108 0.710 8.773 -4.718 880 HA LEU 108 HA LEU 108 3.481 8.377 -5.326 881 HB2 LEU 108 1HB LEU 108 1.737 7.266 -3.106 882 HB3 LEU 108 2HB LEU 108 3.492 7.099 -3.153 883 HG LEU 108 HG LEU 108 2.012 9.746 -3.203 884 HD11 LEU 108 1HD1 LEU 108 3.078 9.903 -0.850 885 HD12 LEU 108 2HD1 LEU 108 3.246 8.151 -0.958 886 HD13 LEU 108 3HD1 LEU 108 1.647 8.890 -1.038 887 HD21 LEU 108 3HD2 LEU 108 4.056 10.301 -4.132 888 HD22 LEU 108 1HD2 LEU 108 4.904 8.956 -3.371 889 HD23 LEU 108 2HD2 LEU 108 4.509 10.397 -2.435 890 H ILE 109 H ILE 109 0.716 6.138 -5.201 891 HA ILE 109 HA ILE 109 2.237 3.765 -5.727 892 HB ILE 109 HB ILE 109 -0.670 4.443 -6.285 893 HG12 ILE 109 1HG1 ILE 109 0.565 2.696 -4.134 894 HG13 ILE 109 2HG1 ILE 109 0.190 4.403 -3.892 895 HG21 ILE 109 1HG2 ILE 109 0.921 1.900 -6.630 896 HG22 ILE 109 2HG2 ILE 109 -0.232 2.638 -7.742 897 HG23 ILE 109 3HG2 ILE 109 -0.807 1.839 -6.280 898 HD11 ILE 109 3HD1 ILE 109 -1.674 3.062 -3.081 899 HD12 ILE 109 1HD1 ILE 109 -1.776 2.217 -4.626 900 HD13 ILE 109 2HD1 ILE 109 -2.177 3.932 -4.530 901 H GLU 110 H GLU 110 0.566 6.077 -7.870 902 HA GLU 110 HA GLU 110 0.940 4.761 -10.330 903 HB2 GLU 110 1HB GLU 110 -0.319 6.901 -10.020 904 HB3 GLU 110 2HB GLU 110 1.218 7.741 -9.816 905 HG2 GLU 110 1HG GLU 110 1.918 7.032 -12.069 906 HG3 GLU 110 2HG GLU 110 0.389 6.176 -12.279 907 H ASP 111 H ASP 111 3.189 6.796 -8.476 908 HA ASP 111 HA ASP 111 5.304 6.801 -10.403 909 HB2 ASP 111 1HB ASP 111 5.288 7.041 -7.384 910 HB3 ASP 111 2HB ASP 111 6.757 7.207 -8.347 911 H SER 112 H SER 112 4.462 4.580 -7.759 912 HA SER 112 HA SER 112 6.735 2.875 -7.935 913 HB2 SER 112 1HB SER 112 3.904 2.054 -7.241 914 HB3 SER 112 2HB SER 112 5.393 1.249 -6.752 915 HG SER 112 HG SER 112 5.807 3.603 -5.938 916 H PHE 113 H PHE 113 3.671 2.893 -9.713 917 HA PHE 113 HA PHE 113 4.023 0.434 -11.113 918 HB2 PHE 113 1HB PHE 113 1.894 1.696 -11.052 919 HB3 PHE 113 2HB PHE 113 2.624 2.961 -12.040 920 HD1 PHE 113 HD1 PHE 113 2.108 -0.758 -12.024 921 HD2 PHE 113 HD2 PHE 113 2.402 2.828 -14.371 922 HE1 PHE 113 HE1 PHE 113 1.538 -2.046 -14.065 923 HE2 PHE 113 HE2 PHE 113 1.833 1.539 -16.412 924 HZ PHE 113 HZ PHE 113 1.399 -0.898 -16.258 925 H GLN 114 H GLN 114 5.008 3.761 -11.936 926 HA GLN 114 HA GLN 114 5.977 3.411 -14.517 927 HB2 GLN 114 1HB GLN 114 7.240 4.978 -12.246 928 HB3 GLN 114 2HB GLN 114 7.652 5.179 -13.950 929 HG2 GLN 114 1HG GLN 114 5.325 5.800 -14.454 930 HG3 GLN 114 2HG GLN 114 4.886 5.568 -12.763 931 HE21 GLN 114 2HE2 GLN 114 7.835 6.752 -12.293 932 HE22 GLN 114 1HE2 GLN 114 7.541 8.423 -12.332 933 H LEU 115 H LEU 115 7.572 2.499 -11.471 934 HA LEU 115 HA LEU 115 10.055 1.673 -12.651 935 HB2 LEU 115 1HB LEU 115 8.635 1.061 -10.059 936 HB3 LEU 115 2HB LEU 115 10.119 0.204 -10.478 937 HG LEU 115 HG LEU 115 11.263 2.400 -10.782 938 HD11 LEU 115 1HD1 LEU 115 10.014 4.384 -9.743 939 HD12 LEU 115 2HD1 LEU 115 8.553 3.407 -9.893 940 HD13 LEU 115 3HD1 LEU 115 9.460 3.865 -11.334 941 HD21 LEU 115 3HD2 LEU 115 9.931 1.754 -8.144 942 HD22 LEU 115 1HD2 LEU 115 11.115 3.050 -8.299 943 HD23 LEU 115 2HD2 LEU 115 11.581 1.388 -8.651 944 H THR 116 H THR 116 7.016 -0.044 -12.003 945 HA THR 116 HA THR 116 8.134 -2.556 -13.104 946 HB THR 116 HB THR 116 6.213 -3.598 -12.243 947 HG1 THR 116 HG1 THR 116 4.831 -1.183 -11.943 948 HG21 THR 116 3HG2 THR 116 6.243 -1.175 -10.449 949 HG22 THR 116 1HG2 THR 116 7.631 -2.262 -10.514 950 HG23 THR 116 2HG2 THR 116 6.057 -2.871 -10.008 951 H ARG 117 H ARG 117 7.231 0.171 -14.521 952 HA ARG 117 HA ARG 117 5.137 -0.312 -16.298 953 HB2 ARG 117 1HB ARG 117 6.521 1.801 -16.109 954 HB3 ARG 117 2HB ARG 117 7.759 0.998 -17.069 955 HG2 ARG 117 1HG ARG 117 6.585 2.095 -18.751 956 HG3 ARG 117 2HG ARG 117 5.733 0.553 -18.740 957 HD2 ARG 117 1HD ARG 117 4.020 2.202 -18.716 958 HD3 ARG 117 2HD ARG 117 4.129 1.657 -17.041 959 HE ARG 117 HE ARG 117 5.887 3.889 -17.438 960 HH11 ARG 117 1HH2 ARG 117 2.562 2.996 -17.237 961 HH12 ARG 117 2HH2 ARG 117 2.052 4.534 -16.625 962 HH21 ARG 117 1HH1 ARG 117 5.239 5.899 -16.644 963 HH22 ARG 117 2HH1 ARG 117 3.566 6.177 -16.288 964 H LEU 118 H LEU 118 4.855 -1.566 -18.095 965 HA LEU 118 HA LEU 118 6.788 -3.694 -18.645 966 HB2 LEU 118 1HB LEU 118 4.161 -2.976 -19.979 967 HB3 LEU 118 2HB LEU 118 5.060 -4.469 -20.240 968 HG LEU 118 HG LEU 118 3.958 -3.547 -17.575 969 HD11 LEU 118 1HD1 LEU 118 2.990 -5.551 -19.629 970 HD12 LEU 118 2HD1 LEU 118 2.123 -4.151 -18.995 971 HD13 LEU 118 3HD1 LEU 118 2.424 -5.546 -17.958 972 HD21 LEU 118 3HD2 LEU 118 5.651 -5.873 -18.476 973 HD22 LEU 118 1HD2 LEU 118 4.465 -6.141 -17.202 974 HD23 LEU 118 2HD2 LEU 118 5.731 -4.941 -16.982 975 H GLU 119 H GLU 119 5.657 -3.451 -21.539 976 HA GLU 119 HA GLU 119 6.745 -2.973 -23.569 977 HB2 GLU 119 1HB GLU 119 6.694 -0.564 -24.076 978 HB3 GLU 119 2HB GLU 119 5.218 -1.076 -23.266 979 HG2 GLU 119 1HG GLU 119 5.948 -0.124 -21.171 980 HG3 GLU 119 2HG GLU 119 7.565 0.178 -21.803 981 H HIS 120 H HIS 120 8.493 -0.834 -24.214 982 HA HIS 120 HA HIS 120 10.813 -1.022 -22.426 983 HB2 HIS 120 1HB HIS 120 10.937 -3.132 -23.742 984 HB3 HIS 120 2HB HIS 120 10.965 -2.177 -25.227 985 HD1 HIS 120 HD1 HIS 120 13.325 -2.189 -26.040 986 HD2 HIS 120 HD2 HIS 120 13.119 -1.633 -21.913 987 HE1 HIS 120 HE1 HIS 120 15.697 -1.787 -25.252 988 H HIS 121 H HIS 121 12.720 0.215 -23.490 989 HA HIS 121 HA HIS 121 11.851 2.174 -25.533 990 HB2 HIS 121 1HB HIS 121 12.527 4.100 -24.132 991 HB3 HIS 121 2HB HIS 121 11.159 3.237 -23.434 992 HD1 HIS 121 HD1 HIS 121 11.854 1.424 -21.499 993 HD2 HIS 121 HD2 HIS 121 14.676 4.354 -22.411 994 HE1 HIS 121 HE1 HIS 121 13.459 1.508 -19.541 995 H HIS 122 H HIS 122 13.763 3.600 -26.157 996 HA HIS 122 HA HIS 122 16.044 1.915 -26.668 997 HB2 HIS 122 1HB HIS 122 15.549 4.871 -27.081 998 HB3 HIS 122 2HB HIS 122 17.025 4.058 -27.604 999 HD1 HIS 122 HD1 HIS 122 13.292 4.080 -28.222 1000 HD2 HIS 122 HD2 HIS 122 16.748 2.476 -29.914 1001 HE1 HIS 122 HE1 HIS 122 12.606 3.089 -30.450 1002 H HIS 123 H HIS 123 18.093 1.922 -25.730 1003 HA HIS 123 HA HIS 123 18.277 3.150 -23.043 1004 HB2 HIS 123 1HB HIS 123 20.463 1.801 -23.019 1005 HB3 HIS 123 2HB HIS 123 18.961 0.881 -23.087 1006 HD1 HIS 123 HD1 HIS 123 20.553 2.644 -26.048 1007 HD2 HIS 123 HD2 HIS 123 19.849 -1.232 -24.684 1008 HE1 HIS 123 HE1 HIS 123 21.190 1.089 -27.945 1009 H HIS 124 H HIS 124 20.358 4.221 -22.424 1010 HA HIS 124 HA HIS 124 21.404 5.927 -24.664 1011 HB2 HIS 124 1HB HIS 124 21.054 6.478 -21.707 1012 HB3 HIS 124 2HB HIS 124 21.931 7.546 -22.804 1013 HD1 HIS 124 HD1 HIS 124 18.473 6.256 -22.060 1014 HD2 HIS 124 HD2 HIS 124 20.303 9.004 -24.604 1015 HE1 HIS 124 HE1 HIS 124 16.608 7.596 -23.127 1016 H HIS 125 H HIS 125 23.629 6.229 -24.819 1017 HA HIS 125 HA HIS 125 25.460 5.175 -22.806 1018 HB2 HIS 125 1HB HIS 125 26.496 3.477 -24.198 1019 HB3 HIS 125 2HB HIS 125 24.772 3.122 -24.097 1020 HD1 HIS 125 HD1 HIS 125 23.313 3.675 -26.222 1021 HD2 HIS 125 HD2 HIS 125 27.417 4.152 -26.778 1022 HE1 HIS 125 HE1 HIS 125 23.684 3.837 -28.722 Start of MODEL 18 1 H1 MET 1 1H MET 1 -7.201 7.345 0.638 2 H2 MET 1 2H MET 1 -6.839 5.687 0.727 3 H3 MET 1 3H MET 1 -7.256 6.546 2.133 4 HA MET 1 HA MET 1 -9.470 7.001 1.083 5 HB2 MET 1 1HB MET 1 -10.097 5.372 -0.706 6 HB3 MET 1 2HB MET 1 -8.862 6.518 -1.223 7 HG2 MET 1 1HG MET 1 -7.109 4.870 -0.865 8 HG3 MET 1 2HG MET 1 -8.269 3.731 -0.186 9 HE1 MET 1 3HE MET 1 -7.112 5.814 -2.995 10 HE2 MET 1 1HE MET 1 -8.776 6.087 -3.529 11 HE3 MET 1 2HE MET 1 -7.693 5.082 -4.487 12 H ASN 2 H ASN 2 -10.897 4.593 0.730 13 HA ASN 2 HA ASN 2 -10.525 3.374 3.414 14 HB2 ASN 2 1HB ASN 2 -12.759 3.271 1.377 15 HB3 ASN 2 2HB ASN 2 -12.763 2.308 2.855 16 HD21 ASN 2 2HD2 ASN 2 -14.628 4.524 2.159 17 HD22 ASN 2 1HD2 ASN 2 -14.441 5.690 3.378 18 H ARG 3 H ARG 3 -10.834 0.966 3.566 19 HA ARG 3 HA ARG 3 -8.926 -0.427 1.961 20 HB2 ARG 3 1HB ARG 3 -9.667 -1.111 4.256 21 HB3 ARG 3 2HB ARG 3 -11.214 -1.602 3.572 22 HG2 ARG 3 1HG ARG 3 -9.988 -3.182 2.061 23 HG3 ARG 3 2HG ARG 3 -8.492 -2.751 2.893 24 HD2 ARG 3 1HD ARG 3 -10.949 -3.856 4.279 25 HD3 ARG 3 2HD ARG 3 -9.562 -4.831 3.797 26 HE ARG 3 HE ARG 3 -8.497 -2.754 5.338 27 HH11 ARG 3 1HH2 ARG 3 -10.865 -5.241 5.653 28 HH12 ARG 3 2HH2 ARG 3 -10.620 -5.446 7.356 29 HH21 ARG 3 1HH1 ARG 3 -8.160 -3.011 7.565 30 HH22 ARG 3 2HH1 ARG 3 -9.089 -4.181 8.437 31 H GLN 4 H GLN 4 -12.491 -0.384 1.864 32 HA GLN 4 HA GLN 4 -12.764 -2.262 -0.276 33 HB2 GLN 4 1HB GLN 4 -14.630 -1.520 1.224 34 HB3 GLN 4 2HB GLN 4 -14.609 0.047 0.419 35 HG2 GLN 4 1HG GLN 4 -16.347 -1.329 -0.585 36 HG3 GLN 4 2HG GLN 4 -15.046 -1.116 -1.756 37 HE21 GLN 4 2HE2 GLN 4 -15.186 -3.112 -2.885 38 HE22 GLN 4 1HE2 GLN 4 -14.999 -4.626 -2.140 39 H GLN 5 H GLN 5 -12.393 1.256 -0.224 40 HA GLN 5 HA GLN 5 -12.759 1.681 -3.030 41 HB2 GLN 5 1HB GLN 5 -11.217 3.207 -0.917 42 HB3 GLN 5 2HB GLN 5 -11.388 3.779 -2.577 43 HG2 GLN 5 1HG GLN 5 -13.813 3.803 -2.365 44 HG3 GLN 5 2HG GLN 5 -13.710 3.105 -0.748 45 HE21 GLN 5 2HE2 GLN 5 -14.317 4.809 0.631 46 HE22 GLN 5 1HE2 GLN 5 -13.623 6.358 0.598 47 H PHE 6 H PHE 6 -9.931 0.829 -1.082 48 HA PHE 6 HA PHE 6 -7.948 1.160 -3.093 49 HB2 PHE 6 1HB PHE 6 -7.535 0.742 -0.645 50 HB3 PHE 6 2HB PHE 6 -7.975 -0.945 -0.916 51 HD1 PHE 6 HD1 PHE 6 -5.685 1.733 -2.170 52 HD2 PHE 6 HD2 PHE 6 -6.339 -2.479 -1.638 53 HE1 PHE 6 HE1 PHE 6 -3.376 1.277 -2.946 54 HE2 PHE 6 HE2 PHE 6 -4.029 -2.935 -2.416 55 HZ PHE 6 HZ PHE 6 -2.546 -1.055 -3.067 56 H ILE 7 H ILE 7 -9.875 -1.731 -2.221 57 HA ILE 7 HA ILE 7 -8.734 -3.427 -4.239 58 HB ILE 7 HB ILE 7 -11.341 -3.489 -2.691 59 HG12 ILE 7 1HG1 ILE 7 -10.193 -5.727 -1.951 60 HG13 ILE 7 2HG1 ILE 7 -8.731 -5.017 -2.624 61 HG21 ILE 7 1HG2 ILE 7 -11.537 -5.870 -3.685 62 HG22 ILE 7 2HG2 ILE 7 -10.439 -5.294 -4.938 63 HG23 ILE 7 3HG2 ILE 7 -12.008 -4.519 -4.717 64 HD11 ILE 7 3HD1 ILE 7 -8.960 -3.079 -1.142 65 HD12 ILE 7 1HD1 ILE 7 -8.965 -4.564 -0.194 66 HD13 ILE 7 2HD1 ILE 7 -10.479 -3.718 -0.514 67 H ASP 8 H ASP 8 -11.653 -1.393 -4.198 68 HA ASP 8 HA ASP 8 -12.542 -2.039 -6.834 69 HB2 ASP 8 1HB ASP 8 -13.947 -0.869 -5.174 70 HB3 ASP 8 2HB ASP 8 -12.888 0.538 -5.269 71 H TYR 9 H TYR 9 -10.343 0.502 -5.648 72 HA TYR 9 HA TYR 9 -9.967 1.829 -8.144 73 HB2 TYR 9 1HB TYR 9 -9.179 2.791 -6.033 74 HB3 TYR 9 2HB TYR 9 -8.047 1.455 -5.824 75 HD1 TYR 9 HD1 TYR 9 -8.899 4.360 -7.986 76 HD2 TYR 9 HD2 TYR 9 -5.940 1.432 -6.934 77 HE1 TYR 9 HE1 TYR 9 -7.214 5.579 -9.339 78 HE2 TYR 9 HE2 TYR 9 -4.254 2.649 -8.284 79 HH TYR 9 HH TYR 9 -4.081 5.307 -9.043 80 H ALA 10 H ALA 10 -8.087 -0.781 -6.607 81 HA ALA 10 HA ALA 10 -6.316 -1.153 -8.845 82 HB1 ALA 10 3HB ALA 10 -7.027 -3.320 -6.868 83 HB2 ALA 10 1HB ALA 10 -6.046 -1.936 -6.385 84 HB3 ALA 10 2HB ALA 10 -5.479 -3.015 -7.659 85 H GLN 11 H GLN 11 -9.403 -2.578 -7.908 86 HA GLN 11 HA GLN 11 -9.433 -4.716 -9.777 87 HB2 GLN 11 1HB GLN 11 -11.038 -4.442 -7.886 88 HB3 GLN 11 2HB GLN 11 -11.800 -3.119 -8.770 89 HG2 GLN 11 1HG GLN 11 -12.421 -4.582 -10.574 90 HG3 GLN 11 2HG GLN 11 -11.476 -5.906 -9.891 91 HE21 GLN 11 2HE2 GLN 11 -12.348 -7.030 -8.024 92 HE22 GLN 11 1HE2 GLN 11 -13.959 -6.819 -7.529 93 H LYS 12 H LYS 12 -10.548 -1.349 -10.095 94 HA LYS 12 HA LYS 12 -11.373 -1.797 -12.874 95 HB2 LYS 12 1HB LYS 12 -11.200 0.675 -11.142 96 HB3 LYS 12 2HB LYS 12 -11.774 0.686 -12.809 97 HG2 LYS 12 1HG LYS 12 -13.563 -0.871 -12.249 98 HG3 LYS 12 2HG LYS 12 -12.949 -1.029 -10.606 99 HD2 LYS 12 1HD LYS 12 -14.726 0.528 -10.424 100 HD3 LYS 12 2HD LYS 12 -13.265 1.512 -10.412 101 HE2 LYS 12 1HE LYS 12 -13.569 2.159 -12.697 102 HE3 LYS 12 2HE LYS 12 -14.818 0.940 -12.949 103 HZ1 LYS 12 3HZ LYS 12 -16.304 2.100 -11.570 104 HZ2 LYS 12 1HZ LYS 12 -15.616 3.276 -12.580 105 HZ3 LYS 12 2HZ LYS 12 -15.089 3.126 -10.972 106 H LYS 13 H LYS 13 -8.499 -0.800 -11.197 107 HA LYS 13 HA LYS 13 -7.362 0.560 -13.544 108 HB2 LYS 13 1HB LYS 13 -6.939 1.226 -11.116 109 HB3 LYS 13 2HB LYS 13 -5.928 -0.212 -11.001 110 HG2 LYS 13 1HG LYS 13 -4.331 1.376 -11.609 111 HG3 LYS 13 2HG LYS 13 -4.800 0.770 -13.194 112 HD2 LYS 13 1HD LYS 13 -6.380 2.645 -13.459 113 HD3 LYS 13 2HD LYS 13 -5.956 3.237 -11.854 114 HE2 LYS 13 1HE LYS 13 -3.622 3.549 -12.582 115 HE3 LYS 13 2HE LYS 13 -4.042 2.951 -14.187 116 HZ1 LYS 13 3HZ LYS 13 -4.018 5.461 -13.813 117 HZ2 LYS 13 1HZ LYS 13 -5.477 5.232 -12.979 118 HZ3 LYS 13 2HZ LYS 13 -5.359 4.796 -14.618 119 H TYR 14 H TYR 14 -6.522 -2.383 -11.657 120 HA TYR 14 HA TYR 14 -5.005 -3.354 -14.072 121 HB2 TYR 14 1HB TYR 14 -4.558 -4.120 -11.177 122 HB3 TYR 14 2HB TYR 14 -3.554 -4.560 -12.557 123 HD1 TYR 14 HD1 TYR 14 -2.482 -2.636 -13.920 124 HD2 TYR 14 HD2 TYR 14 -4.145 -2.124 -9.991 125 HE1 TYR 14 HE1 TYR 14 -1.185 -0.539 -13.641 126 HE2 TYR 14 HE2 TYR 14 -2.849 -0.029 -9.714 127 HH TYR 14 HH TYR 14 -0.720 0.956 -10.683 128 H ASP 15 H ASP 15 -7.637 -3.978 -11.952 129 HA ASP 15 HA ASP 15 -9.123 -5.790 -11.811 130 HB2 ASP 15 1HB ASP 15 -9.097 -5.386 -14.322 131 HB3 ASP 15 2HB ASP 15 -7.917 -6.691 -14.433 132 H THR 16 H THR 16 -6.663 -6.107 -10.444 133 HA THR 16 HA THR 16 -5.881 -8.947 -10.953 134 HB THR 16 HB THR 16 -4.671 -6.771 -9.218 135 HG1 THR 16 HG1 THR 16 -3.652 -6.430 -11.003 136 HG21 THR 16 3HG2 THR 16 -4.008 -9.707 -9.481 137 HG22 THR 16 1HG2 THR 16 -4.309 -8.787 -8.007 138 HG23 THR 16 2HG2 THR 16 -2.824 -8.524 -8.922 139 H LYS 17 H LYS 17 -6.526 -10.549 -9.532 140 HA LYS 17 HA LYS 17 -8.439 -9.809 -7.433 141 HB2 LYS 17 1HB LYS 17 -8.626 -11.829 -9.004 142 HB3 LYS 17 2HB LYS 17 -7.369 -12.577 -8.016 143 HG2 LYS 17 1HG LYS 17 -8.762 -12.332 -6.013 144 HG3 LYS 17 2HG LYS 17 -10.000 -11.509 -6.959 145 HD2 LYS 17 1HD LYS 17 -10.826 -13.698 -6.913 146 HD3 LYS 17 2HD LYS 17 -9.949 -13.683 -8.441 147 HE2 LYS 17 1HE LYS 17 -8.004 -14.720 -7.365 148 HE3 LYS 17 2HE LYS 17 -8.820 -14.668 -5.803 149 HZ1 LYS 17 3HZ LYS 17 -10.649 -15.924 -7.232 150 HZ2 LYS 17 1HZ LYS 17 -9.410 -16.741 -6.413 151 HZ3 LYS 17 2HZ LYS 17 -9.264 -16.429 -8.077 152 HA PRO 18 HA PRO 18 -5.144 -9.818 -4.350 153 HB2 PRO 18 1HB PRO 18 -6.650 -9.678 -2.070 154 HB3 PRO 18 2HB PRO 18 -6.400 -8.289 -3.147 155 HG2 PRO 18 1HG PRO 18 -8.746 -10.128 -2.942 156 HG3 PRO 18 2HG PRO 18 -8.711 -8.368 -3.158 157 HD2 PRO 18 1HD PRO 18 -9.140 -10.116 -5.233 158 HD3 PRO 18 2HD PRO 18 -8.383 -8.521 -5.453 159 H ASP 19 H ASP 19 -4.164 -11.287 -2.878 160 HA ASP 19 HA ASP 19 -5.582 -13.888 -2.405 161 HB2 ASP 19 1HB ASP 19 -2.791 -13.447 -3.493 162 HB3 ASP 19 2HB ASP 19 -3.311 -14.983 -2.800 163 H HIS 20 H HIS 20 -4.968 -14.938 -0.459 164 HA HIS 20 HA HIS 20 -3.114 -13.418 1.346 165 HB2 HIS 20 1HB HIS 20 -4.677 -13.852 3.214 166 HB3 HIS 20 2HB HIS 20 -5.410 -12.844 1.969 167 HD1 HIS 20 HD1 HIS 20 -6.551 -14.649 -0.032 168 HD2 HIS 20 HD2 HIS 20 -6.536 -15.715 3.998 169 HE1 HIS 20 HE1 HIS 20 -8.377 -16.381 0.259 170 HA PRO 21 HA PRO 21 -1.851 -17.876 0.986 171 HB2 PRO 21 1HB PRO 21 0.683 -16.610 1.961 172 HB3 PRO 21 2HB PRO 21 0.438 -17.768 0.637 173 HG2 PRO 21 1HG PRO 21 0.935 -15.188 0.153 174 HG3 PRO 21 2HG PRO 21 -0.175 -16.127 -0.864 175 HD2 PRO 21 1HD PRO 21 -0.819 -14.081 1.233 176 HD3 PRO 21 2HD PRO 21 -1.658 -14.432 -0.296 177 H TRP 22 H TRP 22 -1.221 -15.503 3.526 178 HA TRP 22 HA TRP 22 -0.856 -17.535 5.590 179 HB2 TRP 22 1HB TRP 22 -1.233 -14.530 5.732 180 HB3 TRP 22 2HB TRP 22 -0.851 -15.551 7.119 181 HD1 TRP 22 HD1 TRP 22 1.359 -17.372 6.262 182 HE1 TRP 22 HE1 TRP 22 3.643 -16.533 5.421 183 HE3 TRP 22 HE3 TRP 22 0.095 -12.629 4.836 184 HZ2 TRP 22 HZ2 TRP 22 4.788 -14.170 4.295 185 HZ3 TRP 22 HZ3 TRP 22 1.805 -11.107 3.885 186 HH2 TRP 22 HH2 TRP 22 4.148 -11.872 3.613 187 H GLU 23 H GLU 23 -2.709 -18.753 5.794 188 HA GLU 23 HA GLU 23 -5.379 -17.686 5.729 189 HB2 GLU 23 1HB GLU 23 -6.025 -19.902 6.608 190 HB3 GLU 23 2HB GLU 23 -4.868 -20.060 5.286 191 HG2 GLU 23 1HG GLU 23 -3.028 -20.234 6.963 192 HG3 GLU 23 2HG GLU 23 -4.232 -20.197 8.251 193 H LYS 24 H LYS 24 -2.961 -17.919 8.202 194 HA LYS 24 HA LYS 24 -4.774 -17.720 10.459 195 HB2 LYS 24 1HB LYS 24 -1.805 -17.179 10.180 196 HB3 LYS 24 2HB LYS 24 -2.676 -17.149 11.715 197 HG2 LYS 24 1HG LYS 24 -3.333 -19.475 11.445 198 HG3 LYS 24 2HG LYS 24 -2.619 -19.524 9.835 199 HD2 LYS 24 1HD LYS 24 -0.990 -20.527 11.239 200 HD3 LYS 24 2HD LYS 24 -0.404 -18.887 10.972 201 HE2 LYS 24 1HE LYS 24 -1.152 -18.173 13.136 202 HE3 LYS 24 2HE LYS 24 -2.075 -19.656 13.379 203 HZ1 LYS 24 3HZ LYS 24 0.643 -20.223 12.789 204 HZ2 LYS 24 1HZ LYS 24 -0.280 -20.682 14.136 205 HZ3 LYS 24 2HZ LYS 24 0.528 -19.186 14.129 206 H PHE 25 H PHE 25 -3.991 -15.546 8.057 207 HA PHE 25 HA PHE 25 -4.928 -13.280 9.741 208 HB2 PHE 25 1HB PHE 25 -2.398 -13.237 8.071 209 HB3 PHE 25 2HB PHE 25 -3.147 -11.810 8.789 210 HD1 PHE 25 HD1 PHE 25 -3.266 -11.548 11.252 211 HD2 PHE 25 HD2 PHE 25 -1.208 -14.846 9.425 212 HE1 PHE 25 HE1 PHE 25 -2.131 -12.031 13.404 213 HE2 PHE 25 HE2 PHE 25 -0.072 -15.329 11.577 214 HZ PHE 25 HZ PHE 25 -0.533 -13.921 13.565 215 HA PRO 26 HA PRO 26 -6.958 -13.631 5.553 216 HB2 PRO 26 1HB PRO 26 -9.271 -12.720 7.215 217 HB3 PRO 26 2HB PRO 26 -9.186 -14.045 6.036 218 HG2 PRO 26 1HG PRO 26 -9.279 -14.542 8.652 219 HG3 PRO 26 2HG PRO 26 -8.278 -15.525 7.565 220 HD2 PRO 26 1HD PRO 26 -7.423 -13.333 9.442 221 HD3 PRO 26 2HD PRO 26 -6.629 -14.887 9.091 222 H ASP 27 H ASP 27 -6.609 -11.214 7.996 223 HA ASP 27 HA ASP 27 -7.694 -9.004 6.443 224 HB2 ASP 27 1HB ASP 27 -6.529 -7.616 8.214 225 HB3 ASP 27 2HB ASP 27 -7.695 -8.782 8.838 226 H TYR 28 H TYR 28 -4.974 -10.858 6.045 227 HA TYR 28 HA TYR 28 -3.277 -8.613 5.036 228 HB2 TYR 28 1HB TYR 28 -2.751 -11.497 5.747 229 HB3 TYR 28 2HB TYR 28 -1.658 -10.661 4.645 230 HD1 TYR 28 HD2 TYR 28 -3.495 -9.723 7.791 231 HD2 TYR 28 HD1 TYR 28 0.263 -9.879 5.719 232 HE1 TYR 28 HE2 TYR 28 -2.391 -8.627 9.717 233 HE2 TYR 28 HE1 TYR 28 1.367 -8.782 7.647 234 HH TYR 28 HH TYR 28 -0.511 -7.678 10.457 235 H ALA 29 H ALA 29 -3.022 -8.320 2.850 236 HA ALA 29 HA ALA 29 -4.012 -10.447 0.987 237 HB1 ALA 29 3HB ALA 29 -5.126 -8.677 -0.362 238 HB2 ALA 29 1HB ALA 29 -4.736 -7.500 0.894 239 HB3 ALA 29 2HB ALA 29 -5.839 -8.832 1.243 240 H VAL 30 H VAL 30 -2.584 -10.786 -0.626 241 HA VAL 30 HA VAL 30 -0.411 -8.764 -1.080 242 HB VAL 30 HB VAL 30 -0.348 -11.660 -1.959 243 HG11 VAL 30 1HG1 VAL 30 1.865 -9.736 -1.183 244 HG12 VAL 30 2HG1 VAL 30 1.310 -9.974 -2.840 245 HG13 VAL 30 3HG1 VAL 30 2.047 -11.311 -1.957 246 HG21 VAL 30 3HG2 VAL 30 1.021 -11.979 0.196 247 HG22 VAL 30 1HG2 VAL 30 -0.727 -11.858 0.388 248 HG23 VAL 30 2HG2 VAL 30 0.296 -10.470 0.747 249 H PHE 31 H PHE 31 -0.434 -7.748 -3.029 250 HA PHE 31 HA PHE 31 -2.369 -8.694 -5.100 251 HB2 PHE 31 1HB PHE 31 -0.961 -6.065 -4.609 252 HB3 PHE 31 2HB PHE 31 -1.864 -6.392 -6.087 253 HD1 PHE 31 HD1 PHE 31 -4.297 -6.763 -6.026 254 HD2 PHE 31 HD2 PHE 31 -2.087 -5.759 -2.482 255 HE1 PHE 31 HE1 PHE 31 -6.415 -6.206 -4.863 256 HE2 PHE 31 HE2 PHE 31 -4.206 -5.202 -1.320 257 HZ PHE 31 HZ PHE 31 -6.370 -5.425 -2.510 258 H ARG 32 H ARG 32 -1.574 -9.750 -6.855 259 HA ARG 32 HA ARG 32 1.175 -9.082 -7.821 260 HB2 ARG 32 1HB ARG 32 0.084 -11.870 -7.368 261 HB3 ARG 32 2HB ARG 32 1.579 -11.506 -8.233 262 HG2 ARG 32 1HG ARG 32 2.401 -10.306 -6.189 263 HG3 ARG 32 2HG ARG 32 0.962 -10.861 -5.335 264 HD2 ARG 32 1HD ARG 32 2.990 -12.682 -6.665 265 HD3 ARG 32 2HD ARG 32 2.933 -12.335 -4.939 266 HE ARG 32 HE ARG 32 1.057 -14.052 -6.420 267 HH11 ARG 32 1HH2 ARG 32 1.763 -12.195 -3.594 268 HH12 ARG 32 2HH2 ARG 32 0.657 -13.068 -2.588 269 HH21 ARG 32 1HH1 ARG 32 -0.388 -15.197 -5.117 270 HH22 ARG 32 2HH1 ARG 32 -0.560 -14.764 -3.448 271 H HIS 33 H HIS 33 1.278 -8.904 -10.013 272 HA HIS 33 HA HIS 33 -1.230 -9.432 -11.540 273 HB2 HIS 33 1HB HIS 33 0.074 -7.159 -11.497 274 HB3 HIS 33 2HB HIS 33 1.173 -7.956 -12.621 275 HD1 HIS 33 HD1 HIS 33 -1.871 -9.511 -13.381 276 HD2 HIS 33 HD2 HIS 33 -0.414 -5.677 -14.127 277 HE1 HIS 33 HE1 HIS 33 -3.239 -8.588 -15.302 278 H SER 34 H SER 34 -1.258 -11.388 -12.503 279 HA SER 34 HA SER 34 1.120 -12.921 -13.067 280 HB2 SER 34 1HB SER 34 -1.094 -13.961 -12.632 281 HB3 SER 34 2HB SER 34 -1.699 -13.270 -14.134 282 HG SER 34 HG SER 34 0.078 -15.368 -13.693 283 H ASP 35 H ASP 35 -0.771 -10.604 -14.855 284 HA ASP 35 HA ASP 35 0.074 -11.298 -17.501 285 HB2 ASP 35 1HB ASP 35 -1.798 -9.698 -16.859 286 HB3 ASP 35 2HB ASP 35 -0.543 -8.508 -16.507 287 H ASN 36 H ASN 36 1.476 -9.191 -15.019 288 HA ASN 36 HA ASN 36 3.811 -8.637 -16.789 289 HB2 ASN 36 1HB ASN 36 2.514 -6.861 -15.357 290 HB3 ASN 36 2HB ASN 36 3.426 -7.527 -14.005 291 HD21 ASN 36 2HD2 ASN 36 4.088 -4.974 -14.415 292 HD22 ASN 36 1HD2 ASN 36 5.539 -4.800 -15.279 293 H ASP 37 H ASP 37 2.796 -10.754 -14.358 294 HA ASP 37 HA ASP 37 3.885 -12.366 -13.082 295 HB2 ASP 37 1HB ASP 37 6.086 -11.770 -15.079 296 HB3 ASP 37 2HB ASP 37 6.210 -13.024 -13.852 297 H LYS 38 H LYS 38 3.831 -9.704 -12.109 298 HA LYS 38 HA LYS 38 5.851 -9.896 -10.049 299 HB2 LYS 38 1HB LYS 38 6.911 -7.657 -10.577 300 HB3 LYS 38 2HB LYS 38 7.358 -8.972 -11.659 301 HG2 LYS 38 1HG LYS 38 5.564 -8.189 -13.237 302 HG3 LYS 38 2HG LYS 38 5.314 -6.794 -12.216 303 HD2 LYS 38 1HD LYS 38 7.984 -7.524 -13.434 304 HD3 LYS 38 2HD LYS 38 6.858 -6.375 -14.151 305 HE2 LYS 38 1HE LYS 38 6.931 -5.161 -11.871 306 HE3 LYS 38 2HE LYS 38 8.362 -6.140 -11.546 307 HZ1 LYS 38 3HZ LYS 38 8.000 -4.382 -13.907 308 HZ2 LYS 38 1HZ LYS 38 9.386 -5.285 -13.535 309 HZ3 LYS 38 2HZ LYS 38 8.919 -3.996 -12.531 310 H TRP 39 H TRP 39 5.415 -6.650 -10.467 311 HA TRP 39 HA TRP 39 4.060 -5.087 -9.378 312 HB2 TRP 39 1HB TRP 39 2.411 -5.738 -11.039 313 HB3 TRP 39 2HB TRP 39 1.970 -7.166 -10.110 314 HD1 TRP 39 HD1 TRP 39 0.324 -6.888 -8.129 315 HE1 TRP 39 HE1 TRP 39 -1.046 -4.901 -7.216 316 HE3 TRP 39 HE3 TRP 39 2.479 -3.063 -10.732 317 HZ2 TRP 39 HZ2 TRP 39 -1.206 -2.062 -7.551 318 HZ3 TRP 39 HZ3 TRP 39 1.703 -0.731 -10.419 319 HH2 TRP 39 HH2 TRP 39 -0.136 -0.226 -8.834 320 H TYR 40 H TYR 40 4.988 -5.307 -7.303 321 HA TYR 40 HA TYR 40 3.669 -7.237 -5.436 322 HB2 TYR 40 1HB TYR 40 6.264 -5.687 -5.235 323 HB3 TYR 40 2HB TYR 40 5.609 -6.694 -3.942 324 HD1 TYR 40 HD2 TYR 40 7.091 -6.680 -7.311 325 HD2 TYR 40 HD1 TYR 40 5.521 -9.123 -4.148 326 HE1 TYR 40 HE2 TYR 40 8.048 -8.694 -8.394 327 HE2 TYR 40 HE1 TYR 40 6.478 -11.140 -5.231 328 HH TYR 40 HH TYR 40 7.125 -11.707 -7.803 329 H ALA 41 H ALA 41 2.279 -6.484 -4.025 330 HA ALA 41 HA ALA 41 2.514 -3.788 -2.860 331 HB1 ALA 41 3HB ALA 41 -0.272 -4.124 -3.502 332 HB2 ALA 41 1HB ALA 41 0.643 -4.391 -4.984 333 HB3 ALA 41 2HB ALA 41 0.818 -2.875 -4.102 334 H LEU 42 H LEU 42 1.504 -3.826 -0.743 335 HA LEU 42 HA LEU 42 0.179 -6.392 0.022 336 HB2 LEU 42 1HB LEU 42 2.504 -6.748 0.587 337 HB3 LEU 42 2HB LEU 42 2.606 -5.172 1.364 338 HG LEU 42 HG LEU 42 1.104 -5.867 3.124 339 HD11 LEU 42 1HD1 LEU 42 0.390 -8.374 3.081 340 HD12 LEU 42 2HD1 LEU 42 0.693 -8.264 1.347 341 HD13 LEU 42 3HD1 LEU 42 -0.516 -7.227 2.098 342 HD21 LEU 42 3HD2 LEU 42 3.546 -6.580 3.163 343 HD22 LEU 42 1HD2 LEU 42 3.001 -8.171 2.629 344 HD23 LEU 42 2HD2 LEU 42 2.469 -7.532 4.185 345 H LEU 43 H LEU 43 -1.652 -5.923 0.982 346 HA LEU 43 HA LEU 43 -1.923 -3.380 2.549 347 HB2 LEU 43 1HB LEU 43 -3.389 -3.665 0.491 348 HB3 LEU 43 2HB LEU 43 -4.124 -5.048 1.284 349 HG LEU 43 HG LEU 43 -4.008 -2.348 2.647 350 HD11 LEU 43 1HD1 LEU 43 -5.118 -1.821 0.611 351 HD12 LEU 43 2HD1 LEU 43 -6.409 -2.103 1.778 352 HD13 LEU 43 3HD1 LEU 43 -5.994 -3.352 0.604 353 HD21 LEU 43 3HD2 LEU 43 -4.735 -3.912 4.226 354 HD22 LEU 43 1HD2 LEU 43 -5.534 -4.924 3.027 355 HD23 LEU 43 2HD2 LEU 43 -6.272 -3.413 3.540 356 H MET 44 H MET 44 -2.172 -3.717 4.726 357 HA MET 44 HA MET 44 -3.546 -6.157 5.667 358 HB2 MET 44 1HB MET 44 -1.513 -6.547 7.277 359 HB3 MET 44 2HB MET 44 -1.430 -7.162 5.629 360 HG2 MET 44 1HG MET 44 -0.165 -5.162 4.934 361 HG3 MET 44 2HG MET 44 -0.256 -4.529 6.575 362 HE1 MET 44 3HE MET 44 2.551 -5.192 4.809 363 HE2 MET 44 1HE MET 44 3.447 -5.436 6.314 364 HE3 MET 44 2HE MET 44 2.198 -4.196 6.220 365 H ASP 45 H ASP 45 -3.807 -6.105 8.060 366 HA ASP 45 HA ASP 45 -4.284 -3.306 8.953 367 HB2 ASP 45 1HB ASP 45 -5.274 -6.002 9.906 368 HB3 ASP 45 2HB ASP 45 -5.588 -4.506 10.787 369 H ILE 46 H ILE 46 -2.676 -2.422 10.176 370 HA ILE 46 HA ILE 46 -1.247 -4.205 12.124 371 HB ILE 46 HB ILE 46 0.789 -2.807 11.744 372 HG12 ILE 46 1HG1 ILE 46 -0.645 -1.808 9.272 373 HG13 ILE 46 2HG1 ILE 46 -0.567 -0.862 10.758 374 HG21 ILE 46 1HG2 ILE 46 -0.333 -4.181 9.284 375 HG22 ILE 46 2HG2 ILE 46 0.497 -4.983 10.618 376 HG23 ILE 46 3HG2 ILE 46 1.372 -3.851 9.588 377 HD11 ILE 46 3HD1 ILE 46 1.266 -0.159 9.348 378 HD12 ILE 46 1HD1 ILE 46 1.770 -1.828 9.088 379 HD13 ILE 46 2HD1 ILE 46 1.946 -1.090 10.680 380 HA PRO 47 HA PRO 47 -2.633 -1.267 15.123 381 HB2 PRO 47 1HB PRO 47 -0.643 -1.478 17.026 382 HB3 PRO 47 2HB PRO 47 -1.928 -2.680 16.805 383 HG2 PRO 47 1HG PRO 47 0.889 -2.724 15.808 384 HG3 PRO 47 2HG PRO 47 -0.079 -4.036 16.507 385 HD2 PRO 47 1HD PRO 47 0.305 -3.814 13.831 386 HD3 PRO 47 2HD PRO 47 -1.214 -4.444 14.509 387 H ALA 48 H ALA 48 -2.344 0.890 15.674 388 HA ALA 48 HA ALA 48 -0.540 2.461 14.104 389 HB1 ALA 48 3HB ALA 48 -2.315 3.082 16.467 390 HB2 ALA 48 1HB ALA 48 -2.565 3.509 14.774 391 HB3 ALA 48 2HB ALA 48 -1.310 4.317 15.713 392 H GLU 49 H GLU 49 -0.214 0.930 17.186 393 HA GLU 49 HA GLU 49 1.684 2.589 18.437 394 HB2 GLU 49 1HB GLU 49 2.171 0.753 19.845 395 HB3 GLU 49 2HB GLU 49 0.521 0.443 19.316 396 HG2 GLU 49 1HG GLU 49 1.596 -0.935 17.405 397 HG3 GLU 49 2HG GLU 49 3.068 -0.871 18.371 398 H LYS 50 H LYS 50 2.034 0.606 15.620 399 HA LYS 50 HA LYS 50 4.941 0.363 15.823 400 HB2 LYS 50 1HB LYS 50 2.963 -0.229 13.614 401 HB3 LYS 50 2HB LYS 50 4.703 -0.451 13.422 402 HG2 LYS 50 1HG LYS 50 4.735 -1.987 15.341 403 HG3 LYS 50 2HG LYS 50 3.002 -1.751 15.570 404 HD2 LYS 50 1HD LYS 50 2.583 -2.659 13.309 405 HD3 LYS 50 2HD LYS 50 4.315 -2.911 13.094 406 HE2 LYS 50 1HE LYS 50 2.688 -4.163 15.324 407 HE3 LYS 50 2HE LYS 50 3.081 -4.978 13.810 408 HZ1 LYS 50 3HZ LYS 50 4.866 -4.172 16.000 409 HZ2 LYS 50 1HZ LYS 50 5.483 -4.281 14.424 410 HZ3 LYS 50 2HZ LYS 50 4.790 -5.647 15.159 411 H ILE 51 H ILE 51 2.821 2.851 14.822 412 HA ILE 51 HA ILE 51 5.038 4.175 13.284 413 HB ILE 51 HB ILE 51 3.106 5.571 12.324 414 HG12 ILE 51 1HG1 ILE 51 1.541 3.200 13.381 415 HG13 ILE 51 2HG1 ILE 51 1.435 4.840 14.021 416 HG21 ILE 51 1HG2 ILE 51 4.338 3.798 11.079 417 HG22 ILE 51 2HG2 ILE 51 2.642 3.889 10.608 418 HG23 ILE 51 3HG2 ILE 51 3.189 2.604 11.686 419 HD11 ILE 51 3HD1 ILE 51 -0.387 4.628 12.493 420 HD12 ILE 51 1HD1 ILE 51 0.632 3.858 11.278 421 HD13 ILE 51 2HD1 ILE 51 0.839 5.570 11.642 422 H GLY 52 H GLY 52 3.381 4.196 16.198 423 HA2 GLY 52 1HA GLY 52 3.857 5.705 17.993 424 HA3 GLY 52 2HA GLY 52 4.473 6.872 16.828 425 H ILE 53 H ILE 53 1.598 5.895 15.548 426 HA ILE 53 HA ILE 53 0.281 8.360 16.412 427 HB ILE 53 HB ILE 53 -0.470 6.127 14.524 428 HG12 ILE 53 1HG1 ILE 53 -0.062 9.109 14.130 429 HG13 ILE 53 2HG1 ILE 53 1.168 7.886 13.831 430 HG21 ILE 53 1HG2 ILE 53 -2.489 7.636 13.987 431 HG22 ILE 53 2HG2 ILE 53 -2.181 8.402 15.543 432 HG23 ILE 53 3HG2 ILE 53 -2.581 6.686 15.469 433 HD11 ILE 53 3HD1 ILE 53 -0.943 6.895 12.366 434 HD12 ILE 53 1HD1 ILE 53 0.345 7.906 11.710 435 HD13 ILE 53 2HD1 ILE 53 -1.180 8.634 12.208 436 H ASN 54 H ASN 54 -1.608 8.525 17.640 437 HA ASN 54 HA ASN 54 -2.807 7.990 19.610 438 HB2 ASN 54 1HB ASN 54 -3.499 5.861 17.587 439 HB3 ASN 54 2HB ASN 54 -4.357 6.020 19.119 440 HD21 ASN 54 2HD2 ASN 54 -4.507 8.830 19.372 441 HD22 ASN 54 1HD2 ASN 54 -5.429 9.459 18.093 442 H GLY 55 H GLY 55 -2.502 4.626 18.704 443 HA2 GLY 55 1HA GLY 55 -0.415 3.489 19.896 444 HA3 GLY 55 2HA GLY 55 -1.230 4.080 21.344 445 H ASP 56 H ASP 56 -0.922 1.445 19.373 446 HA ASP 56 HA ASP 56 -2.071 -0.577 19.224 447 HB2 ASP 56 1HB ASP 56 -2.056 -0.233 21.752 448 HB3 ASP 56 2HB ASP 56 -3.696 0.394 21.585 449 H LYS 57 H LYS 57 -3.026 1.502 17.567 450 HA LYS 57 HA LYS 57 -5.990 1.026 17.593 451 HB2 LYS 57 1HB LYS 57 -5.012 3.440 17.727 452 HB3 LYS 57 2HB LYS 57 -4.613 3.212 16.025 453 HG2 LYS 57 1HG LYS 57 -6.938 2.766 15.490 454 HG3 LYS 57 2HG LYS 57 -7.381 2.828 17.194 455 HD2 LYS 57 1HD LYS 57 -6.715 5.189 17.304 456 HD3 LYS 57 2HD LYS 57 -6.223 5.140 15.610 457 HE2 LYS 57 1HE LYS 57 -8.464 6.100 15.769 458 HE3 LYS 57 2HE LYS 57 -8.559 4.521 14.988 459 HZ1 LYS 57 3HZ LYS 57 -8.814 4.614 17.897 460 HZ2 LYS 57 1HZ LYS 57 -9.566 3.588 16.775 461 HZ3 LYS 57 2HZ LYS 57 -10.127 5.178 16.978 462 H ARG 58 H ARG 58 -6.716 -0.299 16.007 463 HA ARG 58 HA ARG 58 -4.921 -1.367 14.004 464 HB2 ARG 58 1HB ARG 58 -7.919 -1.561 14.388 465 HB3 ARG 58 2HB ARG 58 -7.050 -2.427 13.120 466 HG2 ARG 58 1HG ARG 58 -5.658 -3.535 14.813 467 HG3 ARG 58 2HG ARG 58 -6.492 -2.653 16.091 468 HD2 ARG 58 1HD ARG 58 -8.622 -3.717 15.435 469 HD3 ARG 58 2HD ARG 58 -7.786 -4.601 14.159 470 HE ARG 58 HE ARG 58 -6.592 -5.042 16.773 471 HH11 ARG 58 1HH2 ARG 58 -9.105 -5.900 14.573 472 HH12 ARG 58 2HH2 ARG 58 -9.318 -7.489 15.230 473 HH21 ARG 58 1HH1 ARG 58 -6.854 -7.109 17.643 474 HH22 ARG 58 2HH1 ARG 58 -8.043 -8.172 16.968 475 H VAL 59 H VAL 59 -4.483 -0.543 12.015 476 HA VAL 59 HA VAL 59 -6.467 1.279 10.721 477 HB VAL 59 HB VAL 59 -4.564 2.755 10.005 478 HG11 VAL 59 1HG1 VAL 59 -4.440 3.954 12.123 479 HG12 VAL 59 2HG1 VAL 59 -4.904 2.500 13.007 480 HG13 VAL 59 3HG1 VAL 59 -6.061 3.287 11.933 481 HG21 VAL 59 3HG2 VAL 59 -2.673 1.286 10.295 482 HG22 VAL 59 1HG2 VAL 59 -3.073 1.011 11.991 483 HG23 VAL 59 2HG2 VAL 59 -2.490 2.589 11.469 484 H ASP 60 H ASP 60 -6.059 1.479 8.364 485 HA ASP 60 HA ASP 60 -4.977 -1.093 7.293 486 HB2 ASP 60 1HB ASP 60 -6.775 1.042 6.114 487 HB3 ASP 60 2HB ASP 60 -6.194 -0.356 5.207 488 H VAL 61 H VAL 61 -3.100 -1.107 6.130 489 HA VAL 61 HA VAL 61 -2.089 1.490 5.015 490 HB VAL 61 HB VAL 61 0.108 1.106 5.878 491 HG11 VAL 61 1HG1 VAL 61 -0.251 1.300 8.214 492 HG12 VAL 61 2HG1 VAL 61 -1.670 0.255 8.170 493 HG13 VAL 61 3HG1 VAL 61 -1.753 1.881 7.496 494 HG21 VAL 61 3HG2 VAL 61 -0.980 -1.627 6.609 495 HG22 VAL 61 1HG2 VAL 61 0.512 -0.994 7.300 496 HG23 VAL 61 2HG2 VAL 61 0.391 -1.253 5.563 497 H ILE 62 H ILE 62 -0.557 1.192 3.259 498 HA ILE 62 HA ILE 62 -0.606 -1.520 1.998 499 HB ILE 62 HB ILE 62 -0.916 -0.415 -0.208 500 HG12 ILE 62 1HG1 ILE 62 -1.538 2.060 1.440 501 HG13 ILE 62 2HG1 ILE 62 -0.047 1.830 0.526 502 HG21 ILE 62 1HG2 ILE 62 -3.339 0.181 0.180 503 HG22 ILE 62 2HG2 ILE 62 -3.030 0.045 1.911 504 HG23 ILE 62 3HG2 ILE 62 -2.849 -1.365 0.870 505 HD11 ILE 62 3HD1 ILE 62 -1.526 1.432 -1.520 506 HD12 ILE 62 1HD1 ILE 62 -1.479 3.085 -0.905 507 HD13 ILE 62 2HD1 ILE 62 -2.863 2.051 -0.549 508 H ASP 63 H ASP 63 1.278 -2.028 0.836 509 HA ASP 63 HA ASP 63 3.568 -0.139 1.269 510 HB2 ASP 63 1HB ASP 63 3.617 -3.140 0.853 511 HB3 ASP 63 2HB ASP 63 5.000 -2.115 1.236 512 H LEU 64 H LEU 64 4.702 0.541 -0.517 513 HA LEU 64 HA LEU 64 4.180 -0.823 -3.117 514 HB2 LEU 64 1HB LEU 64 4.094 1.525 -4.161 515 HB3 LEU 64 2HB LEU 64 2.657 0.917 -3.362 516 HG LEU 64 HG LEU 64 3.713 2.156 -1.236 517 HD11 LEU 64 1HD1 LEU 64 5.789 2.848 -2.294 518 HD12 LEU 64 2HD1 LEU 64 4.809 4.275 -1.969 519 HD13 LEU 64 3HD1 LEU 64 4.898 3.624 -3.606 520 HD21 LEU 64 3HD2 LEU 64 2.379 3.619 -3.522 521 HD22 LEU 64 1HD2 LEU 64 2.392 4.136 -1.833 522 HD23 LEU 64 2HD2 LEU 64 1.546 2.659 -2.297 523 H LYS 65 H LYS 65 5.821 -0.386 -4.733 524 HA LYS 65 HA LYS 65 8.462 -0.029 -3.467 525 HB2 LYS 65 1HB LYS 65 9.314 -0.831 -5.669 526 HB3 LYS 65 2HB LYS 65 8.165 -1.945 -4.928 527 HG2 LYS 65 1HG LYS 65 6.360 -1.069 -6.330 528 HG3 LYS 65 2HG LYS 65 7.447 0.129 -7.024 529 HD2 LYS 65 1HD LYS 65 7.404 -1.603 -8.629 530 HD3 LYS 65 2HD LYS 65 8.908 -1.861 -7.752 531 HE2 LYS 65 1HE LYS 65 7.952 -3.653 -6.468 532 HE3 LYS 65 2HE LYS 65 6.325 -3.274 -7.032 533 HZ1 LYS 65 3HZ LYS 65 8.272 -3.787 -9.111 534 HZ2 LYS 65 1HZ LYS 65 6.664 -4.310 -8.972 535 HZ3 LYS 65 2HZ LYS 65 7.896 -5.125 -8.132 536 H VAL 66 H VAL 66 9.949 1.542 -4.039 537 HA VAL 66 HA VAL 66 9.122 3.612 -6.025 538 HB VAL 66 HB VAL 66 9.872 5.387 -4.418 539 HG11 VAL 66 1HG1 VAL 66 7.499 4.896 -4.765 540 HG12 VAL 66 2HG1 VAL 66 7.797 5.299 -3.077 541 HG13 VAL 66 3HG1 VAL 66 7.573 3.619 -3.553 542 HG21 VAL 66 3HG2 VAL 66 9.813 4.659 -1.965 543 HG22 VAL 66 1HG2 VAL 66 11.234 4.143 -2.871 544 HG23 VAL 66 2HG2 VAL 66 9.933 3.002 -2.539 545 H GLN 67 H GLN 67 10.961 5.000 -6.649 546 HA GLN 67 HA GLN 67 13.329 3.418 -7.121 547 HB2 GLN 67 1HB GLN 67 12.434 6.223 -7.710 548 HB3 GLN 67 2HB GLN 67 14.150 5.862 -7.863 549 HG2 GLN 67 1HG GLN 67 13.591 3.978 -9.388 550 HG3 GLN 67 2HG GLN 67 11.886 4.415 -9.274 551 HE21 GLN 67 2HE2 GLN 67 11.472 6.870 -9.835 552 HE22 GLN 67 1HE2 GLN 67 12.346 7.486 -11.153 553 HA PRO 68 HA PRO 68 15.693 4.390 -3.507 554 HB2 PRO 68 1HB PRO 68 18.239 4.724 -4.568 555 HB3 PRO 68 2HB PRO 68 17.480 3.147 -4.284 556 HG2 PRO 68 1HG PRO 68 17.722 4.698 -6.822 557 HG3 PRO 68 2HG PRO 68 17.855 2.950 -6.550 558 HD2 PRO 68 1HD PRO 68 15.608 4.085 -7.587 559 HD3 PRO 68 2HD PRO 68 15.549 2.636 -6.563 560 H GLU 69 H GLU 69 15.562 6.570 -6.170 561 HA GLU 69 HA GLU 69 16.783 8.805 -4.641 562 HB2 GLU 69 1HB GLU 69 17.319 8.520 -7.060 563 HB3 GLU 69 2HB GLU 69 15.613 8.758 -7.439 564 HG2 GLU 69 1HG GLU 69 15.684 10.999 -6.430 565 HG3 GLU 69 2HG GLU 69 17.382 10.761 -6.011 566 H LEU 70 H LEU 70 13.667 7.580 -5.700 567 HA LEU 70 HA LEU 70 12.285 10.058 -4.817 568 HB2 LEU 70 1HB LEU 70 11.180 7.495 -5.995 569 HB3 LEU 70 2HB LEU 70 10.268 8.977 -5.716 570 HG LEU 70 HG LEU 70 12.675 8.724 -7.545 571 HD11 LEU 70 1HD1 LEU 70 9.801 9.214 -8.334 572 HD12 LEU 70 2HD1 LEU 70 10.477 7.588 -8.238 573 HD13 LEU 70 3HD1 LEU 70 11.153 8.760 -9.369 574 HD21 LEU 70 3HD2 LEU 70 10.930 11.026 -6.677 575 HD22 LEU 70 1HD2 LEU 70 11.612 11.030 -8.304 576 HD23 LEU 70 2HD2 LEU 70 12.679 10.978 -6.904 577 H VAL 71 H VAL 71 13.407 7.278 -3.366 578 HA VAL 71 HA VAL 71 11.199 6.523 -1.713 579 HB VAL 71 HB VAL 71 13.166 5.092 -1.899 580 HG11 VAL 71 1HG1 VAL 71 14.715 7.112 -0.265 581 HG12 VAL 71 2HG1 VAL 71 14.740 7.151 -2.026 582 HG13 VAL 71 3HG1 VAL 71 15.330 5.728 -1.169 583 HG21 VAL 71 3HG2 VAL 71 13.127 6.119 0.945 584 HG22 VAL 71 1HG2 VAL 71 13.310 4.457 0.378 585 HG23 VAL 71 2HG2 VAL 71 11.749 5.266 0.255 586 H GLY 72 H GLY 72 13.566 9.110 -1.458 587 HA2 GLY 72 1HA GLY 72 12.835 9.756 1.293 588 HA3 GLY 72 2HA GLY 72 13.854 10.732 0.237 589 H SER 73 H SER 73 11.455 10.384 -1.780 590 HA SER 73 HA SER 73 10.311 12.974 -1.239 591 HB2 SER 73 1HB SER 73 10.557 12.042 -3.520 592 HB3 SER 73 2HB SER 73 9.356 10.813 -3.134 593 HG SER 73 HG SER 73 8.698 12.908 -4.211 594 H LEU 74 H LEU 74 8.753 9.734 -1.239 595 HA LEU 74 HA LEU 74 6.393 10.861 0.089 596 HB2 LEU 74 1HB LEU 74 5.337 8.781 -0.301 597 HB3 LEU 74 2HB LEU 74 6.367 9.028 -1.701 598 HG LEU 74 HG LEU 74 7.083 7.296 0.698 599 HD11 LEU 74 1HD1 LEU 74 5.318 6.247 -0.588 600 HD12 LEU 74 2HD1 LEU 74 6.834 5.440 -0.976 601 HD13 LEU 74 3HD1 LEU 74 6.143 6.610 -2.101 602 HD21 LEU 74 3HD2 LEU 74 8.885 6.530 -0.940 603 HD22 LEU 74 1HD2 LEU 74 9.097 8.147 -0.284 604 HD23 LEU 74 2HD2 LEU 74 8.472 7.938 -1.916 605 H ARG 75 H ARG 75 9.278 9.230 1.087 606 HA ARG 75 HA ARG 75 8.306 8.104 3.530 607 HB2 ARG 75 1HB ARG 75 10.444 7.459 2.464 608 HB3 ARG 75 2HB ARG 75 11.104 9.047 2.857 609 HG2 ARG 75 1HG ARG 75 10.821 8.617 5.237 610 HG3 ARG 75 2HG ARG 75 10.043 7.073 4.893 611 HD2 ARG 75 1HD ARG 75 12.111 6.275 3.808 612 HD3 ARG 75 2HD ARG 75 12.894 7.813 4.168 613 HE ARG 75 HE ARG 75 12.295 5.676 6.105 614 HH11 ARG 75 1HH2 ARG 75 13.121 8.973 5.497 615 HH12 ARG 75 2HH2 ARG 75 13.840 9.215 7.052 616 HH21 ARG 75 1HH1 ARG 75 13.224 5.982 8.142 617 HH22 ARG 75 2HH1 ARG 75 13.897 7.525 8.549 618 H LYS 76 H LYS 76 9.752 11.304 2.837 619 HA LYS 76 HA LYS 76 9.683 12.053 5.650 620 HB2 LYS 76 1HB LYS 76 10.854 13.922 5.005 621 HB3 LYS 76 2HB LYS 76 11.118 12.982 3.548 622 HG2 LYS 76 1HG LYS 76 8.903 15.051 3.895 623 HG3 LYS 76 2HG LYS 76 10.421 15.335 3.080 624 HD2 LYS 76 1HD LYS 76 9.862 13.506 1.466 625 HD3 LYS 76 2HD LYS 76 8.298 13.342 2.235 626 HE2 LYS 76 1HE LYS 76 9.373 15.658 0.641 627 HE3 LYS 76 2HE LYS 76 7.861 14.779 0.425 628 HZ1 LYS 76 3HZ LYS 76 8.458 16.422 2.819 629 HZ2 LYS 76 1HZ LYS 76 6.961 15.767 2.362 630 HZ3 LYS 76 2HZ LYS 76 7.650 17.026 1.453 631 H LYS 77 H LYS 77 7.277 11.762 3.345 632 HA LYS 77 HA LYS 77 5.689 14.062 4.133 633 HB2 LYS 77 1HB LYS 77 5.179 11.602 2.470 634 HB3 LYS 77 2HB LYS 77 3.855 12.680 2.892 635 HG2 LYS 77 1HG LYS 77 6.147 14.232 1.917 636 HG3 LYS 77 2HG LYS 77 5.723 13.000 0.746 637 HD2 LYS 77 1HD LYS 77 3.608 14.774 1.975 638 HD3 LYS 77 2HD LYS 77 4.548 15.304 0.586 639 HE2 LYS 77 1HE LYS 77 2.252 13.983 0.260 640 HE3 LYS 77 2HE LYS 77 3.610 13.720 -0.834 641 HZ1 LYS 77 3HZ LYS 77 2.664 12.029 1.380 642 HZ2 LYS 77 1HZ LYS 77 4.277 11.936 0.870 643 HZ3 LYS 77 2HZ LYS 77 3.023 11.596 -0.223 644 HA PRO 78 HA PRO 78 3.868 12.459 7.831 645 HB2 PRO 78 1HB PRO 78 1.396 13.687 7.760 646 HB3 PRO 78 2HB PRO 78 2.902 14.532 8.168 647 HG2 PRO 78 1HG PRO 78 1.424 14.449 5.570 648 HG3 PRO 78 2HG PRO 78 2.212 15.820 6.376 649 HD2 PRO 78 1HD PRO 78 3.386 14.499 4.310 650 HD3 PRO 78 2HD PRO 78 4.330 15.216 5.633 651 H GLY 79 H GLY 79 2.273 10.971 8.627 652 HA2 GLY 79 1HA GLY 79 0.697 9.234 8.490 653 HA3 GLY 79 2HA GLY 79 0.203 9.872 6.927 654 H ILE 80 H ILE 80 3.069 9.746 5.983 655 HA ILE 80 HA ILE 80 2.997 6.888 5.195 656 HB ILE 80 HB ILE 80 4.624 9.241 4.208 657 HG12 ILE 80 1HG1 ILE 80 2.503 7.651 2.751 658 HG13 ILE 80 2HG1 ILE 80 2.096 9.057 3.729 659 HG21 ILE 80 1HG2 ILE 80 4.633 6.312 3.469 660 HG22 ILE 80 2HG2 ILE 80 6.006 7.367 3.802 661 HG23 ILE 80 3HG2 ILE 80 5.102 7.547 2.299 662 HD11 ILE 80 3HD1 ILE 80 4.281 9.334 1.698 663 HD12 ILE 80 1HD1 ILE 80 3.136 10.531 2.298 664 HD13 ILE 80 2HD1 ILE 80 2.612 9.312 1.145 665 H TYR 81 H TYR 81 4.112 5.508 6.462 666 HA TYR 81 HA TYR 81 6.581 6.505 7.840 667 HB2 TYR 81 1HB TYR 81 4.567 4.372 8.561 668 HB3 TYR 81 2HB TYR 81 6.137 4.486 9.355 669 HD1 TYR 81 HD2 TYR 81 2.959 6.284 8.686 670 HD2 TYR 81 HD1 TYR 81 6.602 6.208 10.962 671 HE1 TYR 81 HE2 TYR 81 2.078 8.074 10.153 672 HE2 TYR 81 HE1 TYR 81 5.721 8.002 12.431 673 HH TYR 81 HH TYR 81 3.911 9.925 12.096 674 HA PRO 82 HA PRO 82 8.963 3.666 5.407 675 HB2 PRO 82 1HB PRO 82 10.967 3.029 7.202 676 HB3 PRO 82 2HB PRO 82 10.899 4.552 6.297 677 HG2 PRO 82 1HG PRO 82 10.106 3.980 9.116 678 HG3 PRO 82 2HG PRO 82 10.922 5.404 8.440 679 HD2 PRO 82 1HD PRO 82 8.265 5.399 9.054 680 HD3 PRO 82 2HD PRO 82 8.934 6.369 7.724 681 H ALA 83 H ALA 83 9.318 1.403 5.132 682 HA ALA 83 HA ALA 83 7.512 -0.334 6.542 683 HB1 ALA 83 3HB ALA 83 8.201 -1.986 5.040 684 HB2 ALA 83 1HB ALA 83 9.864 -1.396 4.992 685 HB3 ALA 83 2HB ALA 83 8.593 -0.521 4.143 686 H TYR 84 H TYR 84 7.935 -1.879 8.168 687 HA TYR 84 HA TYR 84 10.410 -1.393 9.730 688 HB2 TYR 84 1HB TYR 84 9.283 -2.715 11.488 689 HB3 TYR 84 2HB TYR 84 8.260 -1.394 10.926 690 HD1 TYR 84 HD2 TYR 84 8.794 -5.048 10.860 691 HD2 TYR 84 HD1 TYR 84 6.233 -1.811 9.663 692 HE1 TYR 84 HE2 TYR 84 7.001 -6.671 10.307 693 HE2 TYR 84 HE1 TYR 84 4.440 -3.435 9.115 694 HH TYR 84 HH TYR 84 4.961 -6.713 8.773 695 H HIS 85 H HIS 85 12.112 -2.747 9.652 696 HA HIS 85 HA HIS 85 13.443 -4.521 8.853 697 HB2 HIS 85 1HB HIS 85 12.499 -5.403 10.978 698 HB3 HIS 85 2HB HIS 85 11.158 -6.101 10.069 699 HD1 HIS 85 HD1 HIS 85 14.979 -6.206 9.976 700 HD2 HIS 85 HD2 HIS 85 11.705 -8.674 9.220 701 HE1 HIS 85 HE1 HIS 85 15.920 -8.476 9.364 702 H MET 86 H MET 86 11.871 -3.528 6.758 703 HA MET 86 HA MET 86 11.518 -6.003 5.145 704 HB2 MET 86 1HB MET 86 9.429 -3.878 5.625 705 HB3 MET 86 2HB MET 86 9.420 -4.828 4.143 706 HG2 MET 86 1HG MET 86 9.444 -6.040 6.922 707 HG3 MET 86 2HG MET 86 7.975 -5.775 5.985 708 HE1 MET 86 3HE MET 86 7.978 -8.248 3.191 709 HE2 MET 86 1HE MET 86 8.065 -6.486 3.281 710 HE3 MET 86 2HE MET 86 7.017 -7.374 4.381 711 H ASN 87 H ASN 87 13.700 -4.842 4.678 712 HA ASN 87 HA ASN 87 15.007 -3.817 3.039 713 HB2 ASN 87 1HB ASN 87 12.470 -3.133 1.545 714 HB3 ASN 87 2HB ASN 87 14.088 -3.377 0.900 715 HD21 ASN 87 2HD2 ASN 87 11.288 -4.879 0.695 716 HD22 ASN 87 1HD2 ASN 87 11.752 -6.507 0.823 717 H LYS 88 H LYS 88 11.994 -1.967 3.595 718 HA LYS 88 HA LYS 88 11.656 0.265 4.161 719 HB2 LYS 88 1HB LYS 88 13.217 -0.182 6.007 720 HB3 LYS 88 2HB LYS 88 14.583 0.165 4.956 721 HG2 LYS 88 1HG LYS 88 13.771 2.469 4.630 722 HG3 LYS 88 2HG LYS 88 12.389 2.120 5.664 723 HD2 LYS 88 1HD LYS 88 13.921 1.615 7.536 724 HD3 LYS 88 2HD LYS 88 15.297 1.978 6.498 725 HE2 LYS 88 1HE LYS 88 14.477 4.288 6.215 726 HE3 LYS 88 2HE LYS 88 13.108 3.927 7.263 727 HZ1 LYS 88 3HZ LYS 88 14.359 4.233 9.046 728 HZ2 LYS 88 1HZ LYS 88 15.610 4.779 8.039 729 HZ3 LYS 88 2HZ LYS 88 15.535 3.143 8.489 730 H GLU 89 H GLU 89 14.580 -0.374 2.251 731 HA GLU 89 HA GLU 89 14.440 2.288 1.023 732 HB2 GLU 89 1HB GLU 89 16.617 1.234 1.555 733 HB3 GLU 89 2HB GLU 89 16.236 -0.084 0.446 734 HG2 GLU 89 1HG GLU 89 16.126 1.461 -1.422 735 HG3 GLU 89 2HG GLU 89 16.369 2.831 -0.340 736 H HIS 90 H HIS 90 13.297 -0.926 0.416 737 HA HIS 90 HA HIS 90 12.831 -0.348 -2.464 738 HB2 HIS 90 1HB HIS 90 12.494 -2.841 -0.783 739 HB3 HIS 90 2HB HIS 90 11.979 -2.736 -2.466 740 HD1 HIS 90 HD1 HIS 90 15.096 -2.504 -0.326 741 HD2 HIS 90 HD2 HIS 90 14.051 -2.933 -4.339 742 HE1 HIS 90 HE1 HIS 90 17.238 -3.022 -1.573 743 H TRP 91 H TRP 91 10.871 -1.658 0.249 744 HA TRP 91 HA TRP 91 8.445 -0.482 -1.050 745 HB2 TRP 91 1HB TRP 91 8.516 -2.492 1.203 746 HB3 TRP 91 2HB TRP 91 7.171 -2.126 0.120 747 HD1 TRP 91 HD1 TRP 91 8.706 -2.187 -2.630 748 HE1 TRP 91 HE1 TRP 91 9.557 -4.424 -3.579 749 HE3 TRP 91 HE3 TRP 91 8.843 -4.959 1.651 750 HZ2 TRP 91 HZ2 TRP 91 10.206 -7.045 -2.648 751 HZ3 TRP 91 HZ3 TRP 91 9.581 -7.324 1.592 752 HH2 TRP 91 HH2 TRP 91 10.262 -8.370 -0.550 753 H ILE 92 H ILE 92 7.174 0.978 0.056 754 HA ILE 92 HA ILE 92 8.091 1.832 2.789 755 HB ILE 92 HB ILE 92 6.916 3.538 0.568 756 HG12 ILE 92 1HG1 ILE 92 9.209 2.904 0.040 757 HG13 ILE 92 2HG1 ILE 92 9.183 4.591 0.543 758 HG21 ILE 92 1HG2 ILE 92 7.579 5.416 2.109 759 HG22 ILE 92 2HG2 ILE 92 7.902 4.207 3.353 760 HG23 ILE 92 3HG2 ILE 92 6.266 4.409 2.723 761 HD11 ILE 92 3HD1 ILE 92 9.675 3.556 2.940 762 HD12 ILE 92 1HD1 ILE 92 10.980 3.785 1.786 763 HD13 ILE 92 2HD1 ILE 92 10.264 2.200 1.989 764 H THR 93 H THR 93 6.510 2.049 4.327 765 HA THR 93 HA THR 93 3.855 0.962 3.672 766 HB THR 93 HB THR 93 4.960 1.970 6.311 767 HG1 THR 93 HG1 THR 93 5.624 -0.064 6.637 768 HG21 THR 93 3HG2 THR 93 3.165 0.534 7.257 769 HG22 THR 93 1HG2 THR 93 2.587 0.217 5.621 770 HG23 THR 93 2HG2 THR 93 2.521 1.853 6.278 771 H VAL 94 H VAL 94 2.010 2.152 3.480 772 HA VAL 94 HA VAL 94 2.155 5.097 4.040 773 HB VAL 94 HB VAL 94 0.698 3.597 1.852 774 HG11 VAL 94 1HG1 VAL 94 0.487 6.454 2.808 775 HG12 VAL 94 2HG1 VAL 94 -0.813 5.297 2.525 776 HG13 VAL 94 3HG1 VAL 94 0.060 5.994 1.160 777 HG21 VAL 94 3HG2 VAL 94 2.079 5.295 0.466 778 HG22 VAL 94 1HG2 VAL 94 2.943 3.935 1.180 779 HG23 VAL 94 2HG2 VAL 94 3.027 5.525 1.936 780 H LEU 95 H LEU 95 0.564 5.907 5.353 781 HA LEU 95 HA LEU 95 -1.335 3.976 6.529 782 HB2 LEU 95 1HB LEU 95 -0.038 5.531 7.966 783 HB3 LEU 95 2HB LEU 95 -0.823 6.894 7.173 784 HG LEU 95 HG LEU 95 -3.019 6.082 7.957 785 HD11 LEU 95 1HD1 LEU 95 -2.769 4.290 9.892 786 HD12 LEU 95 2HD1 LEU 95 -1.332 3.817 8.988 787 HD13 LEU 95 3HD1 LEU 95 -2.918 3.772 8.216 788 HD21 LEU 95 3HD2 LEU 95 -2.554 6.460 10.429 789 HD22 LEU 95 1HD2 LEU 95 -1.919 7.696 9.342 790 HD23 LEU 95 2HD2 LEU 95 -0.839 6.475 10.016 791 H LEU 96 H LEU 96 -3.136 3.666 5.304 792 HA LEU 96 HA LEU 96 -4.290 5.633 3.554 793 HB2 LEU 96 1HB LEU 96 -5.381 3.078 4.748 794 HB3 LEU 96 2HB LEU 96 -6.284 4.052 3.595 795 HG LEU 96 HG LEU 96 -3.496 2.980 3.067 796 HD11 LEU 96 1HD1 LEU 96 -6.223 1.795 2.562 797 HD12 LEU 96 2HD1 LEU 96 -4.780 1.019 3.214 798 HD13 LEU 96 3HD1 LEU 96 -4.870 1.412 1.498 799 HD21 LEU 96 3HD2 LEU 96 -3.785 4.696 1.511 800 HD22 LEU 96 1HD2 LEU 96 -5.540 4.523 1.476 801 HD23 LEU 96 2HD2 LEU 96 -4.521 3.365 0.626 802 H ASN 97 H ASN 97 -4.991 4.648 6.881 803 HA ASN 97 HA ASN 97 -7.320 6.351 7.117 804 HB2 ASN 97 1HB ASN 97 -5.569 4.963 9.153 805 HB3 ASN 97 2HB ASN 97 -6.991 5.910 9.596 806 HD21 ASN 97 2HD2 ASN 97 -6.780 3.038 10.024 807 HD22 ASN 97 1HD2 ASN 97 -7.961 2.295 9.057 808 H GLY 98 H GLY 98 -4.187 7.178 6.675 809 HA2 GLY 98 1HA GLY 98 -3.905 9.242 8.724 810 HA3 GLY 98 2HA GLY 98 -2.840 9.000 7.342 811 HA PRO 99 HA PRO 99 -5.436 12.708 6.380 812 HB2 PRO 99 1HB PRO 99 -3.486 14.571 6.298 813 HB3 PRO 99 2HB PRO 99 -4.166 14.012 7.840 814 HG2 PRO 99 1HG PRO 99 -1.574 13.296 6.548 815 HG3 PRO 99 2HG PRO 99 -1.953 13.527 8.264 816 HD2 PRO 99 1HD PRO 99 -1.790 11.038 6.955 817 HD3 PRO 99 2HD PRO 99 -2.552 11.319 8.534 818 H LEU 100 H LEU 100 -3.483 10.705 4.811 819 HA LEU 100 HA LEU 100 -2.387 11.989 2.566 820 HB2 LEU 100 1HB LEU 100 -3.607 9.270 2.976 821 HB3 LEU 100 2HB LEU 100 -3.013 9.743 1.389 822 HG LEU 100 HG LEU 100 -1.343 8.491 2.797 823 HD11 LEU 100 1HD1 LEU 100 -0.201 11.239 2.406 824 HD12 LEU 100 2HD1 LEU 100 -0.839 10.394 0.996 825 HD13 LEU 100 3HD1 LEU 100 0.451 9.670 1.947 826 HD21 LEU 100 3HD2 LEU 100 -0.332 9.555 4.695 827 HD22 LEU 100 1HD2 LEU 100 -2.074 9.576 4.953 828 HD23 LEU 100 2HD2 LEU 100 -1.239 11.039 4.425 829 H GLY 101 H GLY 101 -4.806 10.003 1.361 830 HA2 GLY 101 1HA GLY 101 -7.167 11.149 0.960 831 HA3 GLY 101 2HA GLY 101 -6.174 12.343 0.119 832 H ALA 102 H ALA 102 -8.197 10.635 -1.075 833 HA ALA 102 HA ALA 102 -7.127 8.377 -2.417 834 HB1 ALA 102 3HB ALA 102 -9.493 8.755 -2.500 835 HB2 ALA 102 1HB ALA 102 -8.913 8.934 -4.156 836 HB3 ALA 102 2HB ALA 102 -9.275 10.364 -3.189 837 H LYS 103 H LYS 103 -7.232 11.800 -3.409 838 HA LYS 103 HA LYS 103 -5.923 11.423 -5.923 839 HB2 LYS 103 1HB LYS 103 -6.064 13.831 -4.089 840 HB3 LYS 103 2HB LYS 103 -5.391 13.878 -5.718 841 HG2 LYS 103 1HG LYS 103 -7.541 13.099 -6.637 842 HG3 LYS 103 2HG LYS 103 -8.222 13.054 -5.008 843 HD2 LYS 103 1HD LYS 103 -7.820 15.470 -4.762 844 HD3 LYS 103 2HD LYS 103 -7.118 15.524 -6.379 845 HE2 LYS 103 1HE LYS 103 -9.267 14.759 -7.334 846 HE3 LYS 103 2HE LYS 103 -9.968 14.725 -5.716 847 HZ1 LYS 103 3HZ LYS 103 -10.472 16.782 -6.930 848 HZ2 LYS 103 1HZ LYS 103 -8.816 17.135 -7.011 849 HZ3 LYS 103 2HZ LYS 103 -9.597 17.075 -5.504 850 H GLU 104 H GLU 104 -4.647 12.188 -2.687 851 HA GLU 104 HA GLU 104 -1.927 12.484 -3.506 852 HB2 GLU 104 1HB GLU 104 -2.955 13.242 -1.330 853 HB3 GLU 104 2HB GLU 104 -2.963 11.554 -0.817 854 HG2 GLU 104 1HG GLU 104 -0.965 12.539 0.050 855 HG3 GLU 104 2HG GLU 104 -0.478 11.508 -1.293 856 H ILE 105 H ILE 105 -3.771 9.680 -2.301 857 HA ILE 105 HA ILE 105 -1.559 7.861 -2.253 858 HB ILE 105 HB ILE 105 -4.530 7.380 -2.599 859 HG12 ILE 105 1HG1 ILE 105 -2.751 6.892 -0.200 860 HG13 ILE 105 2HG1 ILE 105 -3.616 8.410 -0.447 861 HG21 ILE 105 1HG2 ILE 105 -3.470 5.436 -3.486 862 HG22 ILE 105 2HG2 ILE 105 -3.859 5.027 -1.815 863 HG23 ILE 105 3HG2 ILE 105 -2.210 5.471 -2.254 864 HD11 ILE 105 3HD1 ILE 105 -5.744 7.283 -0.434 865 HD12 ILE 105 1HD1 ILE 105 -4.850 6.727 0.982 866 HD13 ILE 105 2HD1 ILE 105 -4.964 5.702 -0.450 867 H HIS 106 H HIS 106 -3.953 8.630 -4.771 868 HA HIS 106 HA HIS 106 -3.181 6.708 -6.685 869 HB2 HIS 106 1HB HIS 106 -4.157 9.553 -7.056 870 HB3 HIS 106 2HB HIS 106 -3.995 8.397 -8.378 871 HD1 HIS 106 HD1 HIS 106 -6.773 9.195 -8.096 872 HD2 HIS 106 HD2 HIS 106 -5.201 6.246 -5.602 873 HE1 HIS 106 HE1 HIS 106 -8.745 7.879 -7.211 874 H SER 107 H SER 107 -1.837 9.955 -6.087 875 HA SER 107 HA SER 107 0.064 9.921 -8.209 876 HB2 SER 107 1HB SER 107 0.256 11.264 -5.498 877 HB3 SER 107 2HB SER 107 1.260 11.644 -6.894 878 HG SER 107 HG SER 107 -0.786 12.054 -8.001 879 H LEU 108 H LEU 108 0.291 8.790 -4.846 880 HA LEU 108 HA LEU 108 3.050 8.043 -4.924 881 HB2 LEU 108 1HB LEU 108 0.738 6.913 -3.325 882 HB3 LEU 108 2HB LEU 108 2.430 6.540 -3.012 883 HG LEU 108 HG LEU 108 1.272 9.346 -2.996 884 HD11 LEU 108 1HD1 LEU 108 2.142 7.795 -0.559 885 HD12 LEU 108 2HD1 LEU 108 0.489 7.676 -1.156 886 HD13 LEU 108 3HD1 LEU 108 1.128 9.235 -0.647 887 HD21 LEU 108 3HD2 LEU 108 3.521 9.601 -1.596 888 HD22 LEU 108 1HD2 LEU 108 3.563 9.649 -3.355 889 HD23 LEU 108 2HD2 LEU 108 4.004 8.171 -2.502 890 H ILE 109 H ILE 109 0.085 6.222 -5.659 891 HA ILE 109 HA ILE 109 1.385 3.731 -6.204 892 HB ILE 109 HB ILE 109 -1.229 4.894 -7.220 893 HG12 ILE 109 1HG1 ILE 109 -0.716 2.746 -5.146 894 HG13 ILE 109 2HG1 ILE 109 -0.901 4.452 -4.734 895 HG21 ILE 109 1HG2 ILE 109 -0.009 2.141 -7.516 896 HG22 ILE 109 2HG2 ILE 109 -0.616 3.197 -8.792 897 HG23 ILE 109 3HG2 ILE 109 -1.741 2.429 -7.671 898 HD11 ILE 109 3HD1 ILE 109 -2.941 2.720 -6.157 899 HD12 ILE 109 1HD1 ILE 109 -3.121 4.449 -5.861 900 HD13 ILE 109 2HD1 ILE 109 -3.056 3.326 -4.504 901 H GLU 110 H GLU 110 0.505 6.474 -8.310 902 HA GLU 110 HA GLU 110 1.324 5.330 -10.781 903 HB2 GLU 110 1HB GLU 110 0.082 7.512 -10.486 904 HB3 GLU 110 2HB GLU 110 1.604 8.241 -9.972 905 HG2 GLU 110 1HG GLU 110 1.373 8.696 -12.322 906 HG3 GLU 110 2HG GLU 110 2.604 7.443 -12.166 907 H ASP 111 H ASP 111 3.150 6.979 -8.237 908 HA ASP 111 HA ASP 111 5.641 7.128 -9.638 909 HB2 ASP 111 1HB ASP 111 4.975 6.968 -6.688 910 HB3 ASP 111 2HB ASP 111 6.626 7.144 -7.280 911 H SER 112 H SER 112 4.074 4.575 -7.761 912 HA SER 112 HA SER 112 6.404 2.809 -7.946 913 HB2 SER 112 1HB SER 112 4.877 1.128 -6.939 914 HB3 SER 112 2HB SER 112 4.923 2.627 -6.024 915 HG SER 112 HG SER 112 3.018 3.233 -7.282 916 H PHE 113 H PHE 113 3.567 3.522 -9.812 917 HA PHE 113 HA PHE 113 3.292 1.086 -11.267 918 HB2 PHE 113 1HB PHE 113 1.580 2.824 -11.362 919 HB3 PHE 113 2HB PHE 113 2.719 3.937 -12.123 920 HD1 PHE 113 HD2 PHE 113 1.423 0.438 -12.593 921 HD2 PHE 113 HD1 PHE 113 2.647 4.114 -14.454 922 HE1 PHE 113 HE2 PHE 113 0.839 -0.490 -14.819 923 HE2 PHE 113 HE1 PHE 113 2.062 3.186 -16.673 924 HZ PHE 113 HZ PHE 113 1.158 0.886 -16.858 925 H GLN 114 H GLN 114 5.241 3.990 -11.938 926 HA GLN 114 HA GLN 114 6.246 3.302 -14.458 927 HB2 GLN 114 1HB GLN 114 8.037 4.810 -14.024 928 HB3 GLN 114 2HB GLN 114 6.697 5.410 -13.049 929 HG2 GLN 114 1HG GLN 114 7.671 3.951 -11.153 930 HG3 GLN 114 2HG GLN 114 9.123 3.858 -12.141 931 HE21 GLN 114 2HE2 GLN 114 6.931 6.223 -10.560 932 HE22 GLN 114 1HE2 GLN 114 8.108 7.437 -10.404 933 H LEU 115 H LEU 115 7.358 2.207 -11.273 934 HA LEU 115 HA LEU 115 9.609 0.701 -12.199 935 HB2 LEU 115 1HB LEU 115 7.874 0.439 -9.730 936 HB3 LEU 115 2HB LEU 115 9.353 -0.483 -9.976 937 HG LEU 115 HG LEU 115 9.251 2.545 -10.092 938 HD11 LEU 115 1HD1 LEU 115 9.759 0.667 -7.779 939 HD12 LEU 115 2HD1 LEU 115 8.604 1.998 -7.866 940 HD13 LEU 115 3HD1 LEU 115 10.334 2.335 -7.782 941 HD21 LEU 115 3HD2 LEU 115 11.768 2.060 -9.454 942 HD22 LEU 115 1HD2 LEU 115 11.256 1.885 -11.128 943 HD23 LEU 115 2HD2 LEU 115 11.437 0.460 -10.108 944 H THR 116 H THR 116 6.207 -0.159 -11.702 945 HA THR 116 HA THR 116 6.721 -2.930 -12.627 946 HB THR 116 HB THR 116 4.516 -3.416 -11.883 947 HG1 THR 116 HG1 THR 116 4.128 -0.808 -12.571 948 HG21 THR 116 3HG2 THR 116 6.095 -2.909 -10.045 949 HG22 THR 116 1HG2 THR 116 4.441 -2.487 -9.606 950 HG23 THR 116 2HG2 THR 116 5.576 -1.222 -10.070 951 H ARG 117 H ARG 117 6.674 -0.240 -14.281 952 HA ARG 117 HA ARG 117 4.494 -0.348 -16.098 953 HB2 ARG 117 1HB ARG 117 5.843 0.998 -17.585 954 HB3 ARG 117 2HB ARG 117 6.184 1.510 -15.935 955 HG2 ARG 117 1HG ARG 117 8.188 -0.025 -15.953 956 HG3 ARG 117 2HG ARG 117 7.887 -0.297 -17.670 957 HD2 ARG 117 1HD ARG 117 8.278 2.448 -16.454 958 HD3 ARG 117 2HD ARG 117 9.569 1.518 -17.214 959 HE ARG 117 HE ARG 117 7.402 1.668 -19.049 960 HH11 ARG 117 1HH2 ARG 117 9.721 3.654 -17.441 961 HH12 ARG 117 2HH2 ARG 117 9.808 4.818 -18.722 962 HH21 ARG 117 1HH1 ARG 117 7.505 3.177 -20.731 963 HH22 ARG 117 2HH1 ARG 117 8.555 4.547 -20.582 964 H LEU 118 H LEU 118 4.134 -1.501 -17.970 965 HA LEU 118 HA LEU 118 5.509 -4.047 -18.228 966 HB2 LEU 118 1HB LEU 118 3.198 -2.690 -19.574 967 HB3 LEU 118 2HB LEU 118 3.938 -4.062 -20.397 968 HG LEU 118 HG LEU 118 3.228 -4.310 -17.475 969 HD11 LEU 118 1HD1 LEU 118 0.987 -5.124 -18.094 970 HD12 LEU 118 2HD1 LEU 118 1.293 -4.698 -19.778 971 HD13 LEU 118 3HD1 LEU 118 1.189 -3.433 -18.553 972 HD21 LEU 118 3HD2 LEU 118 4.540 -6.021 -18.967 973 HD22 LEU 118 1HD2 LEU 118 2.958 -6.386 -19.654 974 HD23 LEU 118 2HD2 LEU 118 3.248 -6.624 -17.931 975 H GLU 119 H GLU 119 6.777 -4.763 -19.954 976 HA GLU 119 HA GLU 119 8.596 -2.856 -21.077 977 HB2 GLU 119 1HB GLU 119 9.183 -5.227 -20.682 978 HB3 GLU 119 2HB GLU 119 8.032 -5.713 -21.926 979 HG2 GLU 119 1HG GLU 119 9.286 -4.519 -23.625 980 HG3 GLU 119 2HG GLU 119 10.386 -3.872 -22.407 981 H HIS 120 H HIS 120 8.568 -1.806 -23.035 982 HA HIS 120 HA HIS 120 6.744 -2.671 -25.180 983 HB2 HIS 120 1HB HIS 120 5.349 -1.211 -23.673 984 HB3 HIS 120 2HB HIS 120 6.471 0.110 -24.005 985 HD1 HIS 120 HD1 HIS 120 6.458 1.131 -26.381 986 HD2 HIS 120 HD2 HIS 120 3.688 -1.942 -25.880 987 HE1 HIS 120 HE1 HIS 120 4.942 1.199 -28.407 988 H HIS 121 H HIS 121 7.580 -2.076 -27.166 989 HA HIS 121 HA HIS 121 10.232 -0.829 -27.166 990 HB2 HIS 121 1HB HIS 121 8.487 -1.945 -29.367 991 HB3 HIS 121 2HB HIS 121 10.094 -1.271 -29.644 992 HD1 HIS 121 HD1 HIS 121 12.073 -2.445 -28.188 993 HD2 HIS 121 HD2 HIS 121 8.521 -4.597 -28.544 994 HE1 HIS 121 HE1 HIS 121 12.618 -4.834 -27.552 995 H HIS 122 H HIS 122 10.787 1.116 -28.140 996 HA HIS 122 HA HIS 122 8.918 3.262 -28.006 997 HB2 HIS 122 1HB HIS 122 11.573 3.040 -29.449 998 HB3 HIS 122 2HB HIS 122 10.689 4.551 -29.227 999 HD1 HIS 122 HD1 HIS 122 10.292 5.307 -26.688 1000 HD2 HIS 122 HD2 HIS 122 13.036 2.217 -27.225 1001 HE1 HIS 122 HE1 HIS 122 11.607 5.135 -24.530 1002 H HIS 123 H HIS 123 10.146 1.408 -30.788 1003 HA HIS 123 HA HIS 123 8.255 2.855 -32.580 1004 HB2 HIS 123 1HB HIS 123 9.485 1.777 -34.406 1005 HB3 HIS 123 2HB HIS 123 10.613 2.576 -33.313 1006 HD1 HIS 123 HD1 HIS 123 11.849 0.966 -31.542 1007 HD2 HIS 123 HD2 HIS 123 9.892 -0.968 -34.674 1008 HE1 HIS 123 HE1 HIS 123 12.768 -1.394 -31.613 1009 H HIS 124 H HIS 124 6.251 1.974 -32.500 1010 HA HIS 124 HA HIS 124 5.988 -0.983 -32.912 1011 HB2 HIS 124 1HB HIS 124 5.501 -0.294 -30.516 1012 HB3 HIS 124 2HB HIS 124 4.160 0.666 -31.142 1013 HD1 HIS 124 HD1 HIS 124 2.112 -0.602 -32.082 1014 HD2 HIS 124 HD2 HIS 124 5.115 -3.123 -30.669 1015 HE1 HIS 124 HE1 HIS 124 1.110 -2.925 -31.987 1016 H HIS 125 H HIS 125 4.844 -1.356 -34.727 1017 HA HIS 125 HA HIS 125 2.952 0.763 -35.712 1018 HB2 HIS 125 1HB HIS 125 3.419 -0.053 -37.969 1019 HB3 HIS 125 2HB HIS 125 4.931 0.380 -37.172 1020 HD1 HIS 125 HD1 HIS 125 6.549 -1.529 -36.541 1021 HD2 HIS 125 HD2 HIS 125 3.041 -2.863 -38.356 1022 HE1 HIS 125 HE1 HIS 125 6.933 -3.960 -37.141 Start of MODEL 19 1 H1 MET 1 1H MET 1 -10.504 8.799 1.956 2 H2 MET 1 2H MET 1 -11.013 7.945 3.333 3 H3 MET 1 3H MET 1 -12.141 8.396 2.146 4 HA MET 1 HA MET 1 -11.714 6.635 0.873 5 HB2 MET 1 1HB MET 1 -9.511 7.750 0.305 6 HB3 MET 1 2HB MET 1 -8.784 6.822 1.618 7 HG2 MET 1 1HG MET 1 -9.374 4.731 0.550 8 HG3 MET 1 2HG MET 1 -10.306 5.575 -0.686 9 HE1 MET 1 3HE MET 1 -7.762 4.827 -3.226 10 HE2 MET 1 1HE MET 1 -9.273 5.728 -3.039 11 HE3 MET 1 2HE MET 1 -9.099 4.131 -2.315 12 H ASN 2 H ASN 2 -11.265 4.284 1.190 13 HA ASN 2 HA ASN 2 -10.565 3.491 3.966 14 HB2 ASN 2 1HB ASN 2 -13.223 2.932 2.622 15 HB3 ASN 2 2HB ASN 2 -12.643 2.043 4.032 16 HD21 ASN 2 2HD2 ASN 2 -11.351 4.319 5.341 17 HD22 ASN 2 1HD2 ASN 2 -12.582 5.358 5.870 18 H ARG 3 H ARG 3 -10.921 0.914 4.010 19 HA ARG 3 HA ARG 3 -8.990 -0.186 2.226 20 HB2 ARG 3 1HB ARG 3 -9.597 -1.134 4.462 21 HB3 ARG 3 2HB ARG 3 -11.139 -1.656 3.785 22 HG2 ARG 3 1HG ARG 3 -9.903 -3.011 2.090 23 HG3 ARG 3 2HG ARG 3 -8.389 -2.544 2.863 24 HD2 ARG 3 1HD ARG 3 -10.650 -3.964 4.299 25 HD3 ARG 3 2HD ARG 3 -9.256 -4.788 3.602 26 HE ARG 3 HE ARG 3 -8.281 -2.743 5.311 27 HH11 ARG 3 1HH2 ARG 3 -10.075 -5.693 5.398 28 HH12 ARG 3 2HH2 ARG 3 -9.551 -6.115 6.994 29 HH21 ARG 3 1HH1 ARG 3 -7.588 -3.290 7.390 30 HH22 ARG 3 2HH1 ARG 3 -8.147 -4.756 8.118 31 H GLN 4 H GLN 4 -12.562 -0.385 2.216 32 HA GLN 4 HA GLN 4 -12.780 -2.101 -0.049 33 HB2 GLN 4 1HB GLN 4 -14.653 -1.571 1.501 34 HB3 GLN 4 2HB GLN 4 -14.697 0.070 0.859 35 HG2 GLN 4 1HG GLN 4 -16.411 -1.287 -0.234 36 HG3 GLN 4 2HG GLN 4 -15.168 -0.858 -1.406 37 HE21 GLN 4 2HE2 GLN 4 -15.291 -2.711 -2.765 38 HE22 GLN 4 1HE2 GLN 4 -14.976 -4.289 -2.221 39 H GLN 5 H GLN 5 -12.488 1.416 0.220 40 HA GLN 5 HA GLN 5 -13.022 2.070 -2.490 41 HB2 GLN 5 1HB GLN 5 -11.113 3.376 -0.527 42 HB3 GLN 5 2HB GLN 5 -11.660 4.105 -2.037 43 HG2 GLN 5 1HG GLN 5 -13.497 3.225 0.211 44 HG3 GLN 5 2HG GLN 5 -12.970 4.886 -0.061 45 HE21 GLN 5 2HE2 GLN 5 -13.924 6.063 -1.827 46 HE22 GLN 5 1HE2 GLN 5 -15.211 5.445 -2.744 47 H PHE 6 H PHE 6 -10.056 1.079 -0.849 48 HA PHE 6 HA PHE 6 -8.256 1.405 -3.035 49 HB2 PHE 6 1HB PHE 6 -7.577 1.050 -0.666 50 HB3 PHE 6 2HB PHE 6 -8.121 -0.624 -0.787 51 HD1 PHE 6 HD2 PHE 6 -5.850 1.855 -2.441 52 HD2 PHE 6 HD1 PHE 6 -6.651 -2.278 -1.585 53 HE1 PHE 6 HE2 PHE 6 -3.673 1.224 -3.446 54 HE2 PHE 6 HE1 PHE 6 -4.476 -2.908 -2.593 55 HZ PHE 6 HZ PHE 6 -2.986 -1.157 -3.523 56 H ILE 7 H ILE 7 -10.241 -1.383 -2.031 57 HA ILE 7 HA ILE 7 -9.201 -3.274 -3.875 58 HB ILE 7 HB ILE 7 -12.075 -3.018 -2.944 59 HG12 ILE 7 1HG1 ILE 7 -10.606 -3.009 -1.012 60 HG13 ILE 7 2HG1 ILE 7 -11.372 -4.586 -1.131 61 HG21 ILE 7 1HG2 ILE 7 -10.446 -5.291 -4.086 62 HG22 ILE 7 2HG2 ILE 7 -11.970 -4.634 -4.683 63 HG23 ILE 7 3HG2 ILE 7 -11.936 -5.558 -3.181 64 HD11 ILE 7 3HD1 ILE 7 -8.521 -3.819 -1.670 65 HD12 ILE 7 1HD1 ILE 7 -9.206 -5.215 -2.500 66 HD13 ILE 7 2HD1 ILE 7 -9.153 -5.176 -0.741 67 H ASP 8 H ASP 8 -11.966 -1.031 -4.256 68 HA ASP 8 HA ASP 8 -12.606 -1.847 -6.918 69 HB2 ASP 8 1HB ASP 8 -14.094 -0.033 -6.934 70 HB3 ASP 8 2HB ASP 8 -13.919 -0.350 -5.211 71 H TYR 9 H TYR 9 -10.520 0.757 -5.693 72 HA TYR 9 HA TYR 9 -9.837 1.880 -8.219 73 HB2 TYR 9 1HB TYR 9 -9.403 2.923 -5.981 74 HB3 TYR 9 2HB TYR 9 -8.110 1.751 -5.731 75 HD1 TYR 9 HD2 TYR 9 -6.115 1.743 -7.237 76 HD2 TYR 9 HD1 TYR 9 -9.128 4.796 -7.450 77 HE1 TYR 9 HE2 TYR 9 -4.567 3.183 -8.535 78 HE2 TYR 9 HE1 TYR 9 -7.581 6.234 -8.747 79 HH TYR 9 HH TYR 9 -5.425 6.507 -9.382 80 H ALA 10 H ALA 10 -8.147 -0.573 -6.249 81 HA ALA 10 HA ALA 10 -6.033 -1.004 -8.142 82 HB1 ALA 10 3HB ALA 10 -5.402 -2.822 -6.767 83 HB2 ALA 10 1HB ALA 10 -7.058 -3.090 -6.213 84 HB3 ALA 10 2HB ALA 10 -6.153 -1.681 -5.654 85 H GLN 11 H GLN 11 -9.147 -2.618 -7.598 86 HA GLN 11 HA GLN 11 -8.761 -4.728 -9.487 87 HB2 GLN 11 1HB GLN 11 -10.546 -4.631 -7.724 88 HB3 GLN 11 2HB GLN 11 -11.371 -3.409 -8.688 89 HG2 GLN 11 1HG GLN 11 -12.359 -5.548 -9.198 90 HG3 GLN 11 2HG GLN 11 -11.410 -5.048 -10.595 91 HE21 GLN 11 2HE2 GLN 11 -10.606 -6.702 -7.483 92 HE22 GLN 11 1HE2 GLN 11 -9.746 -7.968 -8.214 93 H LYS 12 H LYS 12 -10.408 -1.575 -9.823 94 HA LYS 12 HA LYS 12 -11.034 -1.930 -12.596 95 HB2 LYS 12 1HB LYS 12 -10.751 0.537 -10.880 96 HB3 LYS 12 2HB LYS 12 -11.307 0.585 -12.551 97 HG2 LYS 12 1HG LYS 12 -13.121 -1.025 -11.954 98 HG3 LYS 12 2HG LYS 12 -12.608 -0.934 -10.271 99 HD2 LYS 12 1HD LYS 12 -13.392 1.504 -11.887 100 HD3 LYS 12 2HD LYS 12 -14.542 0.600 -10.905 101 HE2 LYS 12 1HE LYS 12 -12.904 0.958 -8.951 102 HE3 LYS 12 2HE LYS 12 -12.116 2.151 -9.982 103 HZ1 LYS 12 3HZ LYS 12 -14.582 2.960 -10.265 104 HZ2 LYS 12 1HZ LYS 12 -13.628 3.470 -8.958 105 HZ3 LYS 12 2HZ LYS 12 -14.761 2.223 -8.744 106 H LYS 13 H LYS 13 -8.205 -0.626 -10.932 107 HA LYS 13 HA LYS 13 -7.040 0.357 -13.444 108 HB2 LYS 13 1HB LYS 13 -6.794 1.403 -11.097 109 HB3 LYS 13 2HB LYS 13 -5.606 0.135 -10.797 110 HG2 LYS 13 1HG LYS 13 -4.276 0.873 -12.703 111 HG3 LYS 13 2HG LYS 13 -5.496 2.073 -13.130 112 HD2 LYS 13 1HD LYS 13 -5.133 3.230 -10.993 113 HD3 LYS 13 2HD LYS 13 -3.937 2.017 -10.530 114 HE2 LYS 13 1HE LYS 13 -2.784 3.976 -11.417 115 HE3 LYS 13 2HE LYS 13 -2.595 2.631 -12.543 116 HZ1 LYS 13 3HZ LYS 13 -4.892 4.404 -12.903 117 HZ2 LYS 13 1HZ LYS 13 -3.968 3.581 -14.062 118 HZ3 LYS 13 2HZ LYS 13 -3.362 4.997 -13.345 119 H TYR 14 H TYR 14 -7.042 -2.673 -11.815 120 HA TYR 14 HA TYR 14 -4.806 -3.573 -13.584 121 HB2 TYR 14 1HB TYR 14 -5.006 -4.120 -10.607 122 HB3 TYR 14 2HB TYR 14 -3.849 -4.885 -11.697 123 HD1 TYR 14 HD1 TYR 14 -2.214 -3.405 -12.980 124 HD2 TYR 14 HD2 TYR 14 -4.597 -1.954 -9.716 125 HE1 TYR 14 HE1 TYR 14 -0.690 -1.464 -12.730 126 HE2 TYR 14 HE2 TYR 14 -3.074 -0.013 -9.465 127 HH TYR 14 HH TYR 14 -0.156 0.171 -10.464 128 H ASP 15 H ASP 15 -7.938 -4.009 -12.592 129 HA ASP 15 HA ASP 15 -9.408 -5.866 -12.546 130 HB2 ASP 15 1HB ASP 15 -9.015 -7.340 -14.647 131 HB3 ASP 15 2HB ASP 15 -9.402 -5.639 -14.888 132 H THR 16 H THR 16 -7.097 -6.187 -10.859 133 HA THR 16 HA THR 16 -6.532 -9.120 -11.112 134 HB THR 16 HB THR 16 -4.577 -7.533 -11.086 135 HG1 THR 16 HG1 THR 16 -3.959 -9.440 -10.392 136 HG21 THR 16 3HG2 THR 16 -5.201 -7.128 -8.166 137 HG22 THR 16 1HG2 THR 16 -5.791 -5.996 -9.384 138 HG23 THR 16 2HG2 THR 16 -4.057 -6.250 -9.181 139 H LYS 17 H LYS 17 -7.144 -10.474 -9.473 140 HA LYS 17 HA LYS 17 -8.921 -9.341 -7.407 141 HB2 LYS 17 1HB LYS 17 -8.328 -12.116 -8.430 142 HB3 LYS 17 2HB LYS 17 -9.196 -11.895 -6.911 143 HG2 LYS 17 1HG LYS 17 -10.908 -10.567 -8.040 144 HG3 LYS 17 2HG LYS 17 -10.020 -10.672 -9.561 145 HD2 LYS 17 1HD LYS 17 -10.370 -13.043 -9.700 146 HD3 LYS 17 2HD LYS 17 -10.995 -13.108 -8.051 147 HE2 LYS 17 1HE LYS 17 -12.926 -11.744 -8.704 148 HE3 LYS 17 2HE LYS 17 -12.296 -11.613 -10.346 149 HZ1 LYS 17 3HZ LYS 17 -12.778 -13.778 -10.807 150 HZ2 LYS 17 1HZ LYS 17 -14.034 -13.439 -9.719 151 HZ3 LYS 17 2HZ LYS 17 -12.657 -14.282 -9.189 152 HA PRO 18 HA PRO 18 -5.865 -9.578 -4.192 153 HB2 PRO 18 1HB PRO 18 -7.447 -10.078 -1.998 154 HB3 PRO 18 2HB PRO 18 -7.377 -8.500 -2.807 155 HG2 PRO 18 1HG PRO 18 -9.407 -10.677 -3.089 156 HG3 PRO 18 2HG PRO 18 -9.646 -8.924 -2.965 157 HD2 PRO 18 1HD PRO 18 -9.743 -10.225 -5.354 158 HD3 PRO 18 2HD PRO 18 -9.144 -8.557 -5.209 159 H ASP 19 H ASP 19 -4.652 -11.095 -2.993 160 HA ASP 19 HA ASP 19 -5.610 -13.942 -3.074 161 HB2 ASP 19 1HB ASP 19 -2.848 -12.809 -3.590 162 HB3 ASP 19 2HB ASP 19 -3.159 -14.523 -3.305 163 H HIS 20 H HIS 20 -5.499 -15.005 -1.159 164 HA HIS 20 HA HIS 20 -3.933 -13.759 1.075 165 HB2 HIS 20 1HB HIS 20 -5.757 -14.467 2.607 166 HB3 HIS 20 2HB HIS 20 -6.288 -13.259 1.440 167 HD1 HIS 20 HD1 HIS 20 -6.752 -16.827 2.428 168 HD2 HIS 20 HD2 HIS 20 -8.068 -14.259 -0.581 169 HE1 HIS 20 HE1 HIS 20 -8.701 -17.985 1.300 170 HA PRO 21 HA PRO 21 -2.823 -18.214 0.660 171 HB2 PRO 21 1HB PRO 21 -0.109 -17.908 0.741 172 HB3 PRO 21 2HB PRO 21 -1.049 -17.715 -0.751 173 HG2 PRO 21 1HG PRO 21 0.166 -15.646 0.994 174 HG3 PRO 21 2HG PRO 21 -0.118 -15.626 -0.754 175 HD2 PRO 21 1HD PRO 21 -1.717 -14.350 1.201 176 HD3 PRO 21 2HD PRO 21 -2.169 -14.616 -0.497 177 H TRP 22 H TRP 22 -2.275 -15.756 2.963 178 HA TRP 22 HA TRP 22 -1.106 -17.589 4.977 179 HB2 TRP 22 1HB TRP 22 -1.747 -14.627 4.970 180 HB3 TRP 22 2HB TRP 22 -1.197 -15.483 6.410 181 HD1 TRP 22 HD1 TRP 22 1.149 -17.064 5.840 182 HE1 TRP 22 HE1 TRP 22 3.278 -16.231 4.648 183 HE3 TRP 22 HE3 TRP 22 -0.736 -12.989 3.401 184 HZ2 TRP 22 HZ2 TRP 22 4.077 -14.119 2.891 185 HZ3 TRP 22 HZ3 TRP 22 0.729 -11.588 1.976 186 HH2 TRP 22 HH2 TRP 22 3.131 -12.147 1.718 187 H GLU 23 H GLU 23 -2.750 -19.005 5.519 188 HA GLU 23 HA GLU 23 -5.493 -18.220 5.934 189 HB2 GLU 23 1HB GLU 23 -5.763 -20.491 6.837 190 HB3 GLU 23 2HB GLU 23 -4.805 -20.529 5.357 191 HG2 GLU 23 1HG GLU 23 -2.729 -20.545 6.733 192 HG3 GLU 23 2HG GLU 23 -3.721 -20.614 8.190 193 H LYS 24 H LYS 24 -2.667 -18.029 7.892 194 HA LYS 24 HA LYS 24 -4.045 -18.083 10.455 195 HB2 LYS 24 1HB LYS 24 -1.284 -17.134 9.636 196 HB3 LYS 24 2HB LYS 24 -1.853 -17.180 11.305 197 HG2 LYS 24 1HG LYS 24 -2.221 -19.596 11.152 198 HG3 LYS 24 2HG LYS 24 -1.764 -19.577 9.449 199 HD2 LYS 24 1HD LYS 24 0.146 -20.324 10.755 200 HD3 LYS 24 2HD LYS 24 0.493 -18.725 10.102 201 HE2 LYS 24 1HE LYS 24 -0.750 -18.926 12.834 202 HE3 LYS 24 2HE LYS 24 0.973 -19.252 12.651 203 HZ1 LYS 24 3HZ LYS 24 0.374 -16.970 11.167 204 HZ2 LYS 24 1HZ LYS 24 1.333 -17.090 12.560 205 HZ3 LYS 24 2HZ LYS 24 -0.329 -16.773 12.700 206 H PHE 25 H PHE 25 -4.012 -15.901 7.954 207 HA PHE 25 HA PHE 25 -5.174 -13.804 9.641 208 HB2 PHE 25 1HB PHE 25 -2.761 -13.141 7.931 209 HB3 PHE 25 2HB PHE 25 -3.645 -12.052 9.001 210 HD1 PHE 25 HD1 PHE 25 -3.636 -12.487 11.492 211 HD2 PHE 25 HD2 PHE 25 -1.040 -14.557 8.768 212 HE1 PHE 25 HE1 PHE 25 -2.186 -13.162 13.387 213 HE2 PHE 25 HE2 PHE 25 0.410 -15.232 10.662 214 HZ PHE 25 HZ PHE 25 -0.163 -14.536 12.972 215 HA PRO 26 HA PRO 26 -7.022 -14.464 5.403 216 HB2 PRO 26 1HB PRO 26 -9.456 -13.717 6.978 217 HB3 PRO 26 2HB PRO 26 -9.218 -15.062 5.844 218 HG2 PRO 26 1HG PRO 26 -9.326 -15.484 8.470 219 HG3 PRO 26 2HG PRO 26 -8.213 -16.404 7.438 220 HD2 PRO 26 1HD PRO 26 -7.611 -14.100 9.274 221 HD3 PRO 26 2HD PRO 26 -6.658 -15.569 8.964 222 H ASP 27 H ASP 27 -6.985 -11.894 7.715 223 HA ASP 27 HA ASP 27 -8.300 -9.890 6.090 224 HB2 ASP 27 1HB ASP 27 -6.421 -9.726 8.463 225 HB3 ASP 27 2HB ASP 27 -7.173 -8.311 7.725 226 H TYR 28 H TYR 28 -5.370 -11.485 5.776 227 HA TYR 28 HA TYR 28 -3.857 -9.189 4.705 228 HB2 TYR 28 1HB TYR 28 -3.266 -12.113 5.152 229 HB3 TYR 28 2HB TYR 28 -2.224 -11.157 4.107 230 HD1 TYR 28 HD2 TYR 28 -4.012 -10.345 7.333 231 HD2 TYR 28 HD1 TYR 28 -0.260 -10.625 5.253 232 HE1 TYR 28 HE2 TYR 28 -2.854 -9.404 9.297 233 HE2 TYR 28 HE1 TYR 28 0.897 -9.681 7.230 234 HH TYR 28 HH TYR 28 -0.858 -9.018 10.239 235 H ALA 29 H ALA 29 -3.571 -8.759 2.549 236 HA ALA 29 HA ALA 29 -4.597 -10.718 0.545 237 HB1 ALA 29 3HB ALA 29 -5.431 -7.812 0.792 238 HB2 ALA 29 1HB ALA 29 -6.476 -9.230 0.894 239 HB3 ALA 29 2HB ALA 29 -5.722 -8.799 -0.641 240 H VAL 30 H VAL 30 -3.430 -10.678 -1.361 241 HA VAL 30 HA VAL 30 -1.209 -8.660 -1.545 242 HB VAL 30 HB VAL 30 -1.127 -11.422 -2.774 243 HG11 VAL 30 1HG1 VAL 30 0.510 -9.743 -3.538 244 HG12 VAL 30 2HG1 VAL 30 1.312 -11.011 -2.609 245 HG13 VAL 30 3HG1 VAL 30 0.991 -9.442 -1.868 246 HG21 VAL 30 3HG2 VAL 30 -0.470 -10.568 0.054 247 HG22 VAL 30 1HG2 VAL 30 0.286 -11.975 -0.693 248 HG23 VAL 30 2HG2 VAL 30 -1.462 -11.929 -0.472 249 H PHE 31 H PHE 31 -1.313 -7.383 -3.300 250 HA PHE 31 HA PHE 31 -3.135 -8.185 -5.545 251 HB2 PHE 31 1HB PHE 31 -2.085 -5.462 -4.716 252 HB3 PHE 31 2HB PHE 31 -3.152 -5.767 -6.086 253 HD1 PHE 31 HD2 PHE 31 -5.473 -6.493 -5.748 254 HD2 PHE 31 HD1 PHE 31 -2.886 -5.643 -2.428 255 HE1 PHE 31 HE2 PHE 31 -7.435 -6.444 -4.232 256 HE2 PHE 31 HE1 PHE 31 -4.846 -5.595 -0.911 257 HZ PHE 31 HZ PHE 31 -7.116 -5.999 -1.812 258 H ARG 32 H ARG 32 -2.113 -8.904 -7.343 259 HA ARG 32 HA ARG 32 0.318 -7.523 -8.267 260 HB2 ARG 32 1HB ARG 32 1.578 -9.648 -8.557 261 HB3 ARG 32 2HB ARG 32 1.264 -9.297 -6.857 262 HG2 ARG 32 1HG ARG 32 -0.684 -10.824 -6.909 263 HG3 ARG 32 2HG ARG 32 -0.347 -11.184 -8.603 264 HD2 ARG 32 1HD ARG 32 1.625 -11.655 -6.346 265 HD3 ARG 32 2HD ARG 32 0.572 -12.903 -7.016 266 HE ARG 32 HE ARG 32 1.992 -11.713 -9.172 267 HH11 ARG 32 1HH2 ARG 32 2.505 -13.621 -6.336 268 HH12 ARG 32 2HH2 ARG 32 3.901 -14.423 -6.973 269 HH21 ARG 32 1HH1 ARG 32 3.812 -12.755 -10.009 270 HH22 ARG 32 2HH1 ARG 32 4.639 -13.935 -9.048 271 H HIS 33 H HIS 33 0.838 -8.074 -10.505 272 HA HIS 33 HA HIS 33 -1.619 -8.837 -12.002 273 HB2 HIS 33 1HB HIS 33 0.930 -7.722 -13.181 274 HB3 HIS 33 2HB HIS 33 -0.712 -7.637 -13.826 275 HD1 HIS 33 HD1 HIS 33 1.260 -5.168 -13.025 276 HD2 HIS 33 HD2 HIS 33 -2.062 -6.526 -10.902 277 HE1 HIS 33 HE1 HIS 33 0.486 -3.231 -11.588 278 H SER 34 H SER 34 -1.747 -10.792 -12.949 279 HA SER 34 HA SER 34 0.340 -12.755 -12.750 280 HB2 SER 34 1HB SER 34 -1.162 -14.109 -14.195 281 HB3 SER 34 2HB SER 34 -2.035 -13.360 -12.860 282 HG SER 34 HG SER 34 -2.419 -13.077 -15.489 283 H ASP 35 H ASP 35 -0.675 -10.539 -15.300 284 HA ASP 35 HA ASP 35 0.841 -11.685 -17.436 285 HB2 ASP 35 1HB ASP 35 -0.126 -8.870 -16.891 286 HB3 ASP 35 2HB ASP 35 0.714 -9.317 -18.376 287 H ASN 36 H ASN 36 1.663 -9.275 -14.959 288 HA ASN 36 HA ASN 36 4.415 -9.039 -16.044 289 HB2 ASN 36 1HB ASN 36 3.048 -7.061 -15.190 290 HB3 ASN 36 2HB ASN 36 3.264 -7.726 -13.572 291 HD21 ASN 36 2HD2 ASN 36 4.362 -5.180 -14.298 292 HD22 ASN 36 1HD2 ASN 36 6.055 -5.305 -14.301 293 H ASP 37 H ASP 37 2.689 -10.905 -13.784 294 HA ASP 37 HA ASP 37 3.359 -12.446 -12.159 295 HB2 ASP 37 1HB ASP 37 4.791 -13.196 -14.090 296 HB3 ASP 37 2HB ASP 37 6.090 -12.191 -13.448 297 H LYS 38 H LYS 38 6.370 -10.542 -12.489 298 HA LYS 38 HA LYS 38 6.842 -10.466 -9.679 299 HB2 LYS 38 1HB LYS 38 8.588 -10.096 -11.411 300 HB3 LYS 38 2HB LYS 38 7.847 -8.542 -11.795 301 HG2 LYS 38 1HG LYS 38 8.244 -7.755 -9.508 302 HG3 LYS 38 2HG LYS 38 8.918 -9.323 -9.065 303 HD2 LYS 38 1HD LYS 38 10.712 -9.023 -10.742 304 HD3 LYS 38 2HD LYS 38 10.045 -7.446 -11.166 305 HE2 LYS 38 1HE LYS 38 10.410 -6.664 -8.856 306 HE3 LYS 38 2HE LYS 38 11.065 -8.242 -8.421 307 HZ1 LYS 38 3HZ LYS 38 12.478 -6.123 -9.402 308 HZ2 LYS 38 1HZ LYS 38 12.322 -7.150 -10.743 309 HZ3 LYS 38 2HZ LYS 38 13.021 -7.730 -9.306 310 H TRP 39 H TRP 39 5.875 -9.273 -8.142 311 HA TRP 39 HA TRP 39 5.292 -6.517 -8.364 312 HB2 TRP 39 1HB TRP 39 3.313 -8.133 -9.641 313 HB3 TRP 39 2HB TRP 39 2.591 -7.597 -8.131 314 HD1 TRP 39 HD1 TRP 39 3.048 -6.513 -11.554 315 HE1 TRP 39 HE1 TRP 39 2.712 -3.964 -11.795 316 HE3 TRP 39 HE3 TRP 39 3.201 -5.149 -6.643 317 HZ2 TRP 39 HZ2 TRP 39 2.533 -1.652 -10.111 318 HZ3 TRP 39 HZ3 TRP 39 2.947 -2.774 -5.985 319 HH2 TRP 39 HH2 TRP 39 2.612 -1.026 -7.710 320 H TYR 40 H TYR 40 5.312 -5.816 -6.288 321 HA TYR 40 HA TYR 40 4.500 -7.756 -4.138 322 HB2 TYR 40 1HB TYR 40 6.588 -5.564 -4.182 323 HB3 TYR 40 2HB TYR 40 6.065 -6.381 -2.706 324 HD1 TYR 40 HD2 TYR 40 7.789 -6.802 -5.950 325 HD2 TYR 40 HD1 TYR 40 6.623 -8.697 -2.277 326 HE1 TYR 40 HE2 TYR 40 9.305 -8.702 -6.449 327 HE2 TYR 40 HE1 TYR 40 8.135 -10.597 -2.776 328 HH TYR 40 HH TYR 40 9.906 -10.779 -5.847 329 H ALA 41 H ALA 41 2.711 -7.174 -3.081 330 HA ALA 41 HA ALA 41 2.206 -4.361 -2.399 331 HB1 ALA 41 3HB ALA 41 1.158 -4.823 -4.711 332 HB2 ALA 41 1HB ALA 41 0.089 -4.167 -3.470 333 HB3 ALA 41 2HB ALA 41 0.040 -5.888 -3.858 334 H LEU 42 H LEU 42 2.048 -4.751 -0.221 335 HA LEU 42 HA LEU 42 0.374 -7.062 0.685 336 HB2 LEU 42 1HB LEU 42 2.714 -5.580 1.848 337 HB3 LEU 42 2HB LEU 42 1.585 -6.365 2.948 338 HG LEU 42 HG LEU 42 3.554 -7.791 2.279 339 HD11 LEU 42 1HD1 LEU 42 1.139 -9.177 1.157 340 HD12 LEU 42 2HD1 LEU 42 1.052 -8.602 2.822 341 HD13 LEU 42 3HD1 LEU 42 2.311 -9.735 2.346 342 HD21 LEU 42 3HD2 LEU 42 3.841 -8.535 0.062 343 HD22 LEU 42 1HD2 LEU 42 3.432 -6.833 -0.141 344 HD23 LEU 42 2HD2 LEU 42 2.206 -8.073 -0.405 345 H LEU 43 H LEU 43 -1.517 -6.658 1.589 346 HA LEU 43 HA LEU 43 -2.079 -3.912 2.658 347 HB2 LEU 43 1HB LEU 43 -3.261 -4.507 0.489 348 HB3 LEU 43 2HB LEU 43 -4.087 -5.789 1.366 349 HG LEU 43 HG LEU 43 -4.133 -2.907 2.300 350 HD11 LEU 43 1HD1 LEU 43 -5.027 -3.072 -0.020 351 HD12 LEU 43 2HD1 LEU 43 -6.258 -2.620 1.157 352 HD13 LEU 43 3HD1 LEU 43 -6.190 -4.272 0.544 353 HD21 LEU 43 3HD2 LEU 43 -4.945 -4.172 4.076 354 HD22 LEU 43 1HD2 LEU 43 -5.593 -5.436 3.035 355 HD23 LEU 43 2HD2 LEU 43 -6.438 -3.899 3.191 356 H MET 44 H MET 44 -2.312 -4.065 4.839 357 HA MET 44 HA MET 44 -4.034 -6.132 5.976 358 HB2 MET 44 1HB MET 44 -2.015 -6.823 7.567 359 HB3 MET 44 2HB MET 44 -2.229 -7.611 6.004 360 HG2 MET 44 1HG MET 44 -0.474 -6.427 5.014 361 HG3 MET 44 2HG MET 44 -0.565 -5.109 6.184 362 HE1 MET 44 3HE MET 44 2.834 -6.024 7.130 363 HE2 MET 44 1HE MET 44 1.764 -5.126 6.044 364 HE3 MET 44 2HE MET 44 2.457 -6.663 5.532 365 H ASP 45 H ASP 45 -4.140 -5.889 8.407 366 HA ASP 45 HA ASP 45 -3.979 -3.004 9.106 367 HB2 ASP 45 1HB ASP 45 -5.369 -5.394 10.337 368 HB3 ASP 45 2HB ASP 45 -5.259 -3.844 11.173 369 H ILE 46 H ILE 46 -2.734 -2.251 10.830 370 HA ILE 46 HA ILE 46 -1.252 -4.191 12.459 371 HB ILE 46 HB ILE 46 0.939 -3.069 11.961 372 HG12 ILE 46 1HG1 ILE 46 -0.495 -1.996 9.519 373 HG13 ILE 46 2HG1 ILE 46 -0.196 -1.012 10.952 374 HG21 ILE 46 1HG2 ILE 46 -0.336 -4.292 9.505 375 HG22 ILE 46 2HG2 ILE 46 0.135 -5.242 10.914 376 HG23 ILE 46 3HG2 ILE 46 1.357 -4.369 9.991 377 HD11 ILE 46 3HD1 ILE 46 1.616 -0.623 9.398 378 HD12 ILE 46 1HD1 ILE 46 1.883 -2.355 9.206 379 HD13 ILE 46 2HD1 ILE 46 2.249 -1.571 10.743 380 HA PRO 47 HA PRO 47 -1.971 -1.218 15.690 381 HB2 PRO 47 1HB PRO 47 0.936 -1.525 16.364 382 HB3 PRO 47 2HB PRO 47 -0.484 -1.666 17.418 383 HG2 PRO 47 1HG PRO 47 0.888 -3.808 16.509 384 HG3 PRO 47 2HG PRO 47 -0.850 -3.851 16.844 385 HD2 PRO 47 1HD PRO 47 0.536 -3.912 14.227 386 HD3 PRO 47 2HD PRO 47 -1.110 -4.420 14.652 387 H ALA 48 H ALA 48 -1.717 1.002 16.010 388 HA ALA 48 HA ALA 48 -0.447 2.537 13.927 389 HB1 ALA 48 3HB ALA 48 -1.629 3.374 16.588 390 HB2 ALA 48 1HB ALA 48 -2.466 3.336 15.037 391 HB3 ALA 48 2HB ALA 48 -1.156 4.487 15.305 392 H GLU 49 H GLU 49 0.601 1.334 16.989 393 HA GLU 49 HA GLU 49 2.664 3.269 17.534 394 HB2 GLU 49 1HB GLU 49 3.586 1.396 18.997 395 HB3 GLU 49 2HB GLU 49 1.927 1.887 19.345 396 HG2 GLU 49 1HG GLU 49 1.043 0.012 18.100 397 HG3 GLU 49 2HG GLU 49 2.654 -0.430 17.534 398 H LYS 50 H LYS 50 2.434 0.680 15.265 399 HA LYS 50 HA LYS 50 5.343 0.303 15.063 400 HB2 LYS 50 1HB LYS 50 2.983 -0.796 13.533 401 HB3 LYS 50 2HB LYS 50 4.648 -1.118 13.047 402 HG2 LYS 50 1HG LYS 50 5.112 -2.028 15.314 403 HG3 LYS 50 2HG LYS 50 3.424 -1.758 15.749 404 HD2 LYS 50 1HD LYS 50 2.729 -3.252 13.894 405 HD3 LYS 50 2HD LYS 50 4.423 -3.562 13.528 406 HE2 LYS 50 1HE LYS 50 3.175 -4.099 16.233 407 HE3 LYS 50 2HE LYS 50 3.347 -5.326 14.979 408 HZ1 LYS 50 3HZ LYS 50 5.576 -3.754 16.152 409 HZ2 LYS 50 1HZ LYS 50 5.722 -4.985 14.996 410 HZ3 LYS 50 2HZ LYS 50 5.187 -5.355 16.565 411 H ILE 51 H ILE 51 3.135 2.578 13.822 412 HA ILE 51 HA ILE 51 4.901 3.141 11.464 413 HB ILE 51 HB ILE 51 2.953 4.686 10.816 414 HG12 ILE 51 1HG1 ILE 51 1.570 2.975 12.901 415 HG13 ILE 51 2HG1 ILE 51 1.886 4.703 13.059 416 HG21 ILE 51 1HG2 ILE 51 3.435 2.471 9.774 417 HG22 ILE 51 2HG2 ILE 51 1.708 2.820 9.829 418 HG23 ILE 51 3HG2 ILE 51 2.419 1.702 10.994 419 HD11 ILE 51 3HD1 ILE 51 0.096 3.333 11.036 420 HD12 ILE 51 1HD1 ILE 51 0.587 5.021 10.897 421 HD13 ILE 51 2HD1 ILE 51 -0.378 4.493 12.276 422 H GLY 52 H GLY 52 4.827 3.939 14.583 423 HA2 GLY 52 1HA GLY 52 6.245 5.670 15.487 424 HA3 GLY 52 2HA GLY 52 5.968 6.633 14.038 425 H ILE 53 H ILE 53 2.952 5.739 14.534 426 HA ILE 53 HA ILE 53 2.335 8.186 16.063 427 HB ILE 53 HB ILE 53 0.558 6.154 14.688 428 HG12 ILE 53 1HG1 ILE 53 1.198 9.031 13.978 429 HG13 ILE 53 2HG1 ILE 53 2.038 7.645 13.279 430 HG21 ILE 53 1HG2 ILE 53 -0.742 7.097 16.459 431 HG22 ILE 53 2HG2 ILE 53 -1.172 8.016 15.018 432 HG23 ILE 53 3HG2 ILE 53 -0.060 8.702 16.202 433 HD11 ILE 53 3HD1 ILE 53 -0.002 6.799 12.321 434 HD12 ILE 53 1HD1 ILE 53 0.116 8.504 11.886 435 HD13 ILE 53 2HD1 ILE 53 -0.966 7.997 13.185 436 H ASN 54 H ASN 54 1.817 8.208 18.182 437 HA ASN 54 HA ASN 54 1.681 5.641 19.641 438 HB2 ASN 54 1HB ASN 54 3.048 7.523 20.515 439 HB3 ASN 54 2HB ASN 54 1.583 8.494 20.673 440 HD21 ASN 54 2HD2 ASN 54 3.194 7.816 22.956 441 HD22 ASN 54 1HD2 ASN 54 2.295 6.775 23.950 442 H GLY 55 H GLY 55 -0.314 4.739 19.319 443 HA2 GLY 55 1HA GLY 55 -2.608 5.996 20.624 444 HA3 GLY 55 2HA GLY 55 -2.796 5.806 18.877 445 H ASP 56 H ASP 56 -0.985 3.378 19.059 446 HA ASP 56 HA ASP 56 -1.277 1.064 19.131 447 HB2 ASP 56 1HB ASP 56 -2.720 1.888 21.667 448 HB3 ASP 56 2HB ASP 56 -2.478 0.205 21.208 449 H LYS 57 H LYS 57 -3.202 2.699 17.617 450 HA LYS 57 HA LYS 57 -5.706 1.082 17.878 451 HB2 LYS 57 1HB LYS 57 -5.116 3.647 16.371 452 HB3 LYS 57 2HB LYS 57 -6.664 2.800 16.336 453 HG2 LYS 57 1HG LYS 57 -6.827 3.016 18.792 454 HG3 LYS 57 2HG LYS 57 -5.299 3.892 18.805 455 HD2 LYS 57 1HD LYS 57 -6.273 5.643 17.378 456 HD3 LYS 57 2HD LYS 57 -7.804 4.769 17.347 457 HE2 LYS 57 1HE LYS 57 -8.009 4.999 19.785 458 HE3 LYS 57 2HE LYS 57 -6.458 5.837 19.847 459 HZ1 LYS 57 3HZ LYS 57 -8.647 7.189 19.746 460 HZ2 LYS 57 1HZ LYS 57 -8.586 6.844 18.086 461 HZ3 LYS 57 2HZ LYS 57 -7.310 7.689 18.824 462 H ARG 58 H ARG 58 -6.464 -0.136 16.142 463 HA ARG 58 HA ARG 58 -4.458 -1.096 14.277 464 HB2 ARG 58 1HB ARG 58 -7.436 -1.600 14.534 465 HB3 ARG 58 2HB ARG 58 -6.405 -2.428 13.367 466 HG2 ARG 58 1HG ARG 58 -4.995 -3.274 15.202 467 HG3 ARG 58 2HG ARG 58 -6.011 -2.437 16.374 468 HD2 ARG 58 1HD ARG 58 -7.053 -4.531 14.448 469 HD3 ARG 58 2HD ARG 58 -6.556 -4.885 16.103 470 HE ARG 58 HE ARG 58 -8.426 -2.747 16.193 471 HH11 ARG 58 1HH2 ARG 58 -8.196 -6.095 15.376 472 HH12 ARG 58 2HH2 ARG 58 -9.845 -6.440 15.782 473 HH21 ARG 58 1HH1 ARG 58 -10.574 -3.186 16.726 474 HH22 ARG 58 2HH1 ARG 58 -11.189 -4.795 16.545 475 H VAL 59 H VAL 59 -4.030 -0.290 12.278 476 HA VAL 59 HA VAL 59 -6.112 1.422 10.949 477 HB VAL 59 HB VAL 59 -4.280 2.896 10.175 478 HG11 VAL 59 1HG1 VAL 59 -4.329 2.610 13.199 479 HG12 VAL 59 2HG1 VAL 59 -5.622 3.352 12.257 480 HG13 VAL 59 3HG1 VAL 59 -4.016 4.081 12.278 481 HG21 VAL 59 3HG2 VAL 59 -2.643 0.973 11.835 482 HG22 VAL 59 1HG2 VAL 59 -2.109 2.641 11.650 483 HG23 VAL 59 2HG2 VAL 59 -2.304 1.615 10.231 484 H ASP 60 H ASP 60 -5.799 1.574 8.590 485 HA ASP 60 HA ASP 60 -4.885 -1.040 7.518 486 HB2 ASP 60 1HB ASP 60 -6.425 1.259 6.275 487 HB3 ASP 60 2HB ASP 60 -6.050 -0.257 5.454 488 H VAL 61 H VAL 61 -3.035 -1.245 6.306 489 HA VAL 61 HA VAL 61 -1.787 1.240 5.196 490 HB VAL 61 HB VAL 61 0.362 0.671 6.036 491 HG11 VAL 61 1HG1 VAL 61 0.041 0.820 8.397 492 HG12 VAL 61 2HG1 VAL 61 -1.506 -0.021 8.308 493 HG13 VAL 61 3HG1 VAL 61 -1.355 1.614 7.668 494 HG21 VAL 61 3HG2 VAL 61 -0.919 -1.974 6.767 495 HG22 VAL 61 1HG2 VAL 61 0.620 -1.458 7.452 496 HG23 VAL 61 2HG2 VAL 61 0.468 -1.697 5.713 497 H ILE 62 H ILE 62 -0.363 0.869 3.432 498 HA ILE 62 HA ILE 62 -0.585 -1.824 2.139 499 HB ILE 62 HB ILE 62 -0.875 -0.679 -0.047 500 HG12 ILE 62 1HG1 ILE 62 -1.288 1.830 1.615 501 HG13 ILE 62 2HG1 ILE 62 0.175 1.493 0.692 502 HG21 ILE 62 1HG2 ILE 62 -3.242 0.180 0.457 503 HG22 ILE 62 2HG2 ILE 62 -2.889 -0.165 2.148 504 HG23 ILE 62 3HG2 ILE 62 -2.878 -1.467 0.961 505 HD11 ILE 62 3HD1 ILE 62 -2.621 1.749 -0.441 506 HD12 ILE 62 1HD1 ILE 62 -1.187 1.324 -1.376 507 HD13 ILE 62 2HD1 ILE 62 -1.311 2.915 -0.625 508 H ASP 63 H ASP 63 1.186 -2.288 0.684 509 HA ASP 63 HA ASP 63 3.692 -0.954 1.544 510 HB2 ASP 63 1HB ASP 63 3.565 -3.419 1.557 511 HB3 ASP 63 2HB ASP 63 3.238 -3.407 -0.176 512 H LEU 64 H LEU 64 4.507 0.682 0.304 513 HA LEU 64 HA LEU 64 3.920 0.626 -2.644 514 HB2 LEU 64 1HB LEU 64 3.060 2.583 -1.053 515 HB3 LEU 64 2HB LEU 64 4.720 3.149 -1.203 516 HG LEU 64 HG LEU 64 3.399 4.205 -2.940 517 HD11 LEU 64 1HD1 LEU 64 4.743 3.682 -4.814 518 HD12 LEU 64 2HD1 LEU 64 4.901 1.994 -4.338 519 HD13 LEU 64 3HD1 LEU 64 5.737 3.248 -3.428 520 HD21 LEU 64 3HD2 LEU 64 1.832 3.146 -4.265 521 HD22 LEU 64 1HD2 LEU 64 1.765 2.038 -2.899 522 HD23 LEU 64 2HD2 LEU 64 2.721 1.629 -4.320 523 H LYS 65 H LYS 65 5.670 0.117 -3.807 524 HA LYS 65 HA LYS 65 8.328 0.238 -2.569 525 HB2 LYS 65 1HB LYS 65 9.056 -1.010 -4.501 526 HB3 LYS 65 2HB LYS 65 7.537 -1.703 -3.936 527 HG2 LYS 65 1HG LYS 65 6.352 -0.244 -5.632 528 HG3 LYS 65 2HG LYS 65 7.937 0.160 -6.292 529 HD2 LYS 65 1HD LYS 65 6.782 -2.631 -6.036 530 HD3 LYS 65 2HD LYS 65 6.937 -1.715 -7.532 531 HE2 LYS 65 1HE LYS 65 9.112 -2.913 -5.827 532 HE3 LYS 65 2HE LYS 65 8.838 -3.099 -7.558 533 HZ1 LYS 65 3HZ LYS 65 10.596 -1.618 -7.429 534 HZ2 LYS 65 1HZ LYS 65 9.943 -0.780 -6.107 535 HZ3 LYS 65 2HZ LYS 65 9.256 -0.597 -7.650 536 H VAL 66 H VAL 66 9.911 1.696 -3.055 537 HA VAL 66 HA VAL 66 9.560 3.502 -5.396 538 HB VAL 66 HB VAL 66 10.171 5.460 -3.984 539 HG11 VAL 66 1HG1 VAL 66 7.728 4.579 -4.489 540 HG12 VAL 66 2HG1 VAL 66 7.971 5.890 -3.339 541 HG13 VAL 66 3HG1 VAL 66 7.708 4.246 -2.756 542 HG21 VAL 66 3HG2 VAL 66 9.970 3.368 -1.806 543 HG22 VAL 66 1HG2 VAL 66 9.701 5.073 -1.455 544 HG23 VAL 66 2HG2 VAL 66 11.256 4.539 -2.090 545 H GLN 67 H GLN 67 11.575 4.759 -5.824 546 HA GLN 67 HA GLN 67 13.825 2.964 -5.718 547 HB2 GLN 67 1HB GLN 67 13.469 5.784 -6.736 548 HB3 GLN 67 2HB GLN 67 15.022 4.950 -6.813 549 HG2 GLN 67 1HG GLN 67 13.818 3.060 -8.016 550 HG3 GLN 67 2HG GLN 67 12.425 4.138 -8.130 551 HE21 GLN 67 2HE2 GLN 67 12.722 6.165 -9.399 552 HE22 GLN 67 1HE2 GLN 67 13.930 6.243 -10.589 553 HA PRO 68 HA PRO 68 15.951 4.196 -1.986 554 HB2 PRO 68 1HB PRO 68 18.327 4.756 -3.743 555 HB3 PRO 68 2HB PRO 68 18.226 3.773 -2.268 556 HG2 PRO 68 1HG PRO 68 18.354 2.662 -4.700 557 HG3 PRO 68 2HG PRO 68 17.408 1.939 -3.387 558 HD2 PRO 68 1HD PRO 68 16.448 3.360 -5.825 559 HD3 PRO 68 2HD PRO 68 15.644 2.124 -4.833 560 H GLU 69 H GLU 69 16.330 6.241 -4.857 561 HA GLU 69 HA GLU 69 17.035 8.612 -3.265 562 HB2 GLU 69 1HB GLU 69 17.947 8.159 -5.566 563 HB3 GLU 69 2HB GLU 69 16.324 8.419 -6.205 564 HG2 GLU 69 1HG GLU 69 17.504 10.503 -6.418 565 HG3 GLU 69 2HG GLU 69 16.358 10.699 -5.095 566 H LEU 70 H LEU 70 14.170 7.233 -4.781 567 HA LEU 70 HA LEU 70 12.627 9.715 -4.374 568 HB2 LEU 70 1HB LEU 70 11.773 6.977 -5.383 569 HB3 LEU 70 2HB LEU 70 10.772 8.430 -5.398 570 HG LEU 70 HG LEU 70 13.434 8.134 -6.834 571 HD11 LEU 70 1HD1 LEU 70 10.618 8.223 -7.963 572 HD12 LEU 70 2HD1 LEU 70 11.606 6.767 -7.829 573 HD13 LEU 70 3HD1 LEU 70 12.112 8.083 -8.889 574 HD21 LEU 70 3HD2 LEU 70 12.399 10.276 -7.998 575 HD22 LEU 70 1HD2 LEU 70 13.242 10.438 -6.461 576 HD23 LEU 70 2HD2 LEU 70 11.478 10.405 -6.500 577 H VAL 71 H VAL 71 13.650 7.346 -2.337 578 HA VAL 71 HA VAL 71 11.264 6.682 -0.871 579 HB VAL 71 HB VAL 71 13.431 5.462 -0.642 580 HG11 VAL 71 1HG1 VAL 71 14.716 7.743 -0.602 581 HG12 VAL 71 2HG1 VAL 71 15.315 6.410 0.384 582 HG13 VAL 71 3HG1 VAL 71 14.382 7.708 1.130 583 HG21 VAL 71 3HG2 VAL 71 12.665 6.650 2.030 584 HG22 VAL 71 1HG2 VAL 71 13.179 5.003 1.668 585 HG23 VAL 71 2HG2 VAL 71 11.586 5.565 1.159 586 H GLY 72 H GLY 72 13.675 9.265 -0.523 587 HA2 GLY 72 1HA GLY 72 12.570 10.416 1.852 588 HA3 GLY 72 2HA GLY 72 13.634 11.245 0.722 589 H SER 73 H SER 73 12.008 11.068 -1.604 590 HA SER 73 HA SER 73 10.349 13.353 -1.277 591 HB2 SER 73 1HB SER 73 9.489 12.789 -3.529 592 HB3 SER 73 2HB SER 73 11.246 12.669 -3.451 593 HG SER 73 HG SER 73 10.665 10.790 -4.352 594 H LEU 74 H LEU 74 9.636 9.908 -1.165 595 HA LEU 74 HA LEU 74 6.749 10.357 -0.827 596 HB2 LEU 74 1HB LEU 74 7.324 8.431 -2.069 597 HB3 LEU 74 2HB LEU 74 8.561 7.947 -0.921 598 HG LEU 74 HG LEU 74 5.791 8.145 0.207 599 HD11 LEU 74 1HD1 LEU 74 4.975 6.099 -0.729 600 HD12 LEU 74 2HD1 LEU 74 6.490 5.807 -1.568 601 HD13 LEU 74 3HD1 LEU 74 5.445 7.124 -2.081 602 HD21 LEU 74 3HD2 LEU 74 8.128 6.231 0.426 603 HD22 LEU 74 1HD2 LEU 74 6.560 5.847 1.119 604 HD23 LEU 74 2HD2 LEU 74 7.445 7.266 1.675 605 H ARG 75 H ARG 75 9.544 9.449 1.145 606 HA ARG 75 HA ARG 75 8.010 8.888 3.533 607 HB2 ARG 75 1HB ARG 75 10.279 7.965 3.075 608 HB3 ARG 75 2HB ARG 75 10.940 9.587 3.249 609 HG2 ARG 75 1HG ARG 75 10.207 9.705 5.554 610 HG3 ARG 75 2HG ARG 75 9.370 8.161 5.409 611 HD2 ARG 75 1HD ARG 75 11.783 8.239 6.461 612 HD3 ARG 75 2HD ARG 75 11.350 6.934 5.357 613 HE ARG 75 HE ARG 75 12.922 7.790 3.841 614 HH11 ARG 75 1HH2 ARG 75 12.017 10.157 6.184 615 HH12 ARG 75 2HH2 ARG 75 13.194 11.315 5.659 616 HH21 ARG 75 1HH1 ARG 75 14.465 9.286 3.152 617 HH22 ARG 75 2HH1 ARG 75 14.578 10.822 3.943 618 H LYS 76 H LYS 76 9.065 11.813 2.041 619 HA LYS 76 HA LYS 76 9.076 13.342 4.559 620 HB2 LYS 76 1HB LYS 76 9.680 15.222 3.230 621 HB3 LYS 76 2HB LYS 76 10.538 13.854 2.532 622 HG2 LYS 76 1HG LYS 76 9.646 14.556 0.544 623 HG3 LYS 76 2HG LYS 76 8.167 13.785 1.097 624 HD2 LYS 76 1HD LYS 76 7.400 15.922 2.051 625 HD3 LYS 76 2HD LYS 76 8.907 16.692 1.556 626 HE2 LYS 76 1HE LYS 76 8.387 16.225 -0.803 627 HE3 LYS 76 2HE LYS 76 6.891 15.427 -0.323 628 HZ1 LYS 76 3HZ LYS 76 5.896 17.387 -0.263 629 HZ2 LYS 76 1HZ LYS 76 7.332 18.152 -0.744 630 HZ3 LYS 76 2HZ LYS 76 6.998 17.938 0.907 631 H LYS 77 H LYS 77 6.732 12.125 2.477 632 HA LYS 77 HA LYS 77 4.893 14.379 2.731 633 HB2 LYS 77 1HB LYS 77 4.599 11.615 1.583 634 HB3 LYS 77 2HB LYS 77 3.258 12.756 1.674 635 HG2 LYS 77 1HG LYS 77 4.978 14.402 0.493 636 HG3 LYS 77 2HG LYS 77 5.768 12.901 0.016 637 HD2 LYS 77 1HD LYS 77 2.880 13.648 -0.517 638 HD3 LYS 77 2HD LYS 77 4.185 13.628 -1.704 639 HE2 LYS 77 1HE LYS 77 4.516 11.188 -1.182 640 HE3 LYS 77 2HE LYS 77 3.054 11.262 -0.196 641 HZ1 LYS 77 3HZ LYS 77 2.402 12.457 -2.583 642 HZ2 LYS 77 1HZ LYS 77 1.917 10.922 -2.049 643 HZ3 LYS 77 2HZ LYS 77 3.306 11.084 -3.015 644 HA PRO 78 HA PRO 78 3.618 13.112 6.887 645 HB2 PRO 78 1HB PRO 78 1.093 14.523 6.103 646 HB3 PRO 78 2HB PRO 78 2.092 14.723 7.555 647 HG2 PRO 78 1HG PRO 78 2.117 16.502 5.540 648 HG3 PRO 78 2HG PRO 78 3.555 16.149 6.513 649 HD2 PRO 78 1HD PRO 78 2.957 15.364 3.703 650 HD3 PRO 78 2HD PRO 78 4.522 15.598 4.518 651 H GLY 79 H GLY 79 2.314 11.495 7.758 652 HA2 GLY 79 1HA GLY 79 0.487 9.950 7.823 653 HA3 GLY 79 2HA GLY 79 0.114 10.344 6.148 654 H ILE 80 H ILE 80 3.126 10.037 5.577 655 HA ILE 80 HA ILE 80 3.044 7.060 5.276 656 HB ILE 80 HB ILE 80 4.724 9.121 3.822 657 HG12 ILE 80 1HG1 ILE 80 2.276 7.549 2.957 658 HG13 ILE 80 2HG1 ILE 80 2.287 9.265 3.351 659 HG21 ILE 80 1HG2 ILE 80 4.304 6.147 3.417 660 HG22 ILE 80 2HG2 ILE 80 5.801 6.925 3.925 661 HG23 ILE 80 3HG2 ILE 80 5.169 7.199 2.308 662 HD11 ILE 80 3HD1 ILE 80 4.212 9.345 1.528 663 HD12 ILE 80 1HD1 ILE 80 2.518 9.352 1.042 664 HD13 ILE 80 2HD1 ILE 80 3.449 7.859 0.973 665 H TYR 81 H TYR 81 4.340 5.911 6.598 666 HA TYR 81 HA TYR 81 6.735 7.270 7.781 667 HB2 TYR 81 1HB TYR 81 4.931 5.138 8.947 668 HB3 TYR 81 2HB TYR 81 6.437 5.679 9.692 669 HD1 TYR 81 HD2 TYR 81 6.657 7.952 10.602 670 HD2 TYR 81 HD1 TYR 81 2.975 6.580 8.867 671 HE1 TYR 81 HE2 TYR 81 5.466 9.882 11.605 672 HE2 TYR 81 HE1 TYR 81 1.784 8.510 9.868 673 HH TYR 81 HH TYR 81 3.288 11.200 11.024 674 HA PRO 82 HA PRO 82 9.557 4.384 5.903 675 HB2 PRO 82 1HB PRO 82 10.326 3.709 8.727 676 HB3 PRO 82 2HB PRO 82 11.360 4.095 7.338 677 HG2 PRO 82 1HG PRO 82 10.804 5.879 9.290 678 HG3 PRO 82 2HG PRO 82 11.116 6.347 7.614 679 HD2 PRO 82 1HD PRO 82 8.576 6.453 9.105 680 HD3 PRO 82 2HD PRO 82 9.013 7.234 7.567 681 H ALA 83 H ALA 83 10.050 2.009 5.863 682 HA ALA 83 HA ALA 83 7.670 0.429 6.239 683 HB1 ALA 83 3HB ALA 83 9.176 -0.109 4.432 684 HB2 ALA 83 1HB ALA 83 9.155 -1.472 5.547 685 HB3 ALA 83 2HB ALA 83 10.509 -0.348 5.558 686 H TYR 84 H TYR 84 7.272 -1.240 7.721 687 HA TYR 84 HA TYR 84 8.469 -0.886 10.343 688 HB2 TYR 84 1HB TYR 84 6.961 -2.934 10.857 689 HB3 TYR 84 2HB TYR 84 6.183 -1.419 10.410 690 HD1 TYR 84 HD2 TYR 84 7.410 -4.654 8.969 691 HD2 TYR 84 HD1 TYR 84 4.737 -1.316 8.549 692 HE1 TYR 84 HE2 TYR 84 6.296 -5.783 7.061 693 HE2 TYR 84 HE1 TYR 84 3.624 -2.447 6.646 694 HH TYR 84 HH TYR 84 4.857 -5.494 5.336 695 H HIS 85 H HIS 85 9.233 -2.828 11.602 696 HA HIS 85 HA HIS 85 10.903 -4.433 11.918 697 HB2 HIS 85 1HB HIS 85 9.591 -5.411 9.375 698 HB3 HIS 85 2HB HIS 85 10.857 -6.316 10.203 699 HD1 HIS 85 HD1 HIS 85 7.357 -4.974 10.771 700 HD2 HIS 85 HD2 HIS 85 10.002 -7.714 12.465 701 HE1 HIS 85 HE1 HIS 85 6.049 -6.235 12.533 702 H MET 86 H MET 86 11.240 -4.882 8.471 703 HA MET 86 HA MET 86 13.716 -3.201 8.450 704 HB2 MET 86 1HB MET 86 13.502 -6.107 7.605 705 HB3 MET 86 2HB MET 86 14.894 -5.075 7.292 706 HG2 MET 86 1HG MET 86 15.245 -4.750 9.685 707 HG3 MET 86 2HG MET 86 13.801 -5.698 10.044 708 HE1 MET 86 3HE MET 86 17.841 -6.960 8.443 709 HE2 MET 86 1HE MET 86 16.999 -5.413 8.288 710 HE3 MET 86 2HE MET 86 16.658 -6.722 7.161 711 H ASN 87 H ASN 87 14.449 -4.301 5.833 712 HA ASN 87 HA ASN 87 14.085 -3.817 3.588 713 HB2 ASN 87 1HB ASN 87 11.140 -4.024 4.295 714 HB3 ASN 87 2HB ASN 87 11.872 -4.220 2.704 715 HD21 ASN 87 2HD2 ASN 87 10.416 -6.147 4.759 716 HD22 ASN 87 1HD2 ASN 87 11.420 -7.516 4.741 717 H LYS 88 H LYS 88 14.354 -1.658 5.481 718 HA LYS 88 HA LYS 88 12.457 0.423 4.587 719 HB2 LYS 88 1HB LYS 88 13.346 0.232 6.961 720 HB3 LYS 88 2HB LYS 88 14.906 0.765 6.331 721 HG2 LYS 88 1HG LYS 88 13.738 2.782 5.366 722 HG3 LYS 88 2HG LYS 88 12.285 2.277 6.226 723 HD2 LYS 88 1HD LYS 88 14.949 2.765 7.589 724 HD3 LYS 88 2HD LYS 88 13.687 3.986 7.462 725 HE2 LYS 88 1HE LYS 88 12.131 2.243 8.554 726 HE3 LYS 88 2HE LYS 88 13.604 1.365 8.960 727 HZ1 LYS 88 3HZ LYS 88 13.949 4.072 9.610 728 HZ2 LYS 88 1HZ LYS 88 13.942 2.729 10.645 729 HZ3 LYS 88 2HZ LYS 88 12.489 3.537 10.295 730 H GLU 89 H GLU 89 13.481 -0.223 2.316 731 HA GLU 89 HA GLU 89 15.409 1.940 1.671 732 HB2 GLU 89 1HB GLU 89 15.833 -1.000 1.062 733 HB3 GLU 89 2HB GLU 89 16.674 0.286 0.195 734 HG2 GLU 89 1HG GLU 89 17.600 1.123 2.322 735 HG3 GLU 89 2HG GLU 89 16.750 -0.151 3.197 736 H HIS 90 H HIS 90 13.986 -0.888 0.005 737 HA HIS 90 HA HIS 90 13.071 0.938 -2.158 738 HB2 HIS 90 1HB HIS 90 13.280 -2.074 -1.929 739 HB3 HIS 90 2HB HIS 90 12.521 -1.261 -3.299 740 HD1 HIS 90 HD1 HIS 90 15.858 -1.611 -1.558 741 HD2 HIS 90 HD2 HIS 90 14.317 -0.098 -5.122 742 HE1 HIS 90 HE1 HIS 90 17.850 -1.021 -3.004 743 H TRP 91 H TRP 91 11.856 -0.832 0.567 744 HA TRP 91 HA TRP 91 9.039 -0.502 -0.424 745 HB2 TRP 91 1HB TRP 91 10.011 -2.221 1.872 746 HB3 TRP 91 2HB TRP 91 8.408 -2.225 1.135 747 HD1 TRP 91 HD1 TRP 91 8.061 -3.573 -1.049 748 HE1 TRP 91 HE1 TRP 91 9.557 -5.160 -2.424 749 HE3 TRP 91 HE3 TRP 91 12.583 -2.627 1.125 750 HZ2 TRP 91 HZ2 TRP 91 12.307 -5.927 -2.580 751 HZ3 TRP 91 HZ3 TRP 91 14.623 -3.797 0.343 752 HH2 TRP 91 HH2 TRP 91 14.490 -5.445 -1.505 753 H ILE 92 H ILE 92 7.640 0.779 0.721 754 HA ILE 92 HA ILE 92 8.500 1.843 3.369 755 HB ILE 92 HB ILE 92 7.360 3.564 1.147 756 HG12 ILE 92 1HG1 ILE 92 9.707 2.730 0.671 757 HG13 ILE 92 2HG1 ILE 92 9.562 4.470 0.797 758 HG21 ILE 92 1HG2 ILE 92 8.335 5.370 2.748 759 HG22 ILE 92 2HG2 ILE 92 8.331 4.087 3.951 760 HG23 ILE 92 3HG2 ILE 92 6.821 4.585 3.194 761 HD11 ILE 92 3HD1 ILE 92 11.541 3.419 2.018 762 HD12 ILE 92 1HD1 ILE 92 10.386 2.777 3.164 763 HD13 ILE 92 2HD1 ILE 92 10.541 4.512 2.968 764 H THR 93 H THR 93 6.743 2.581 4.697 765 HA THR 93 HA THR 93 4.227 1.138 4.026 766 HB THR 93 HB THR 93 5.318 2.266 6.614 767 HG1 THR 93 HG1 THR 93 5.375 -0.129 5.301 768 HG21 THR 93 3HG2 THR 93 2.974 2.490 6.838 769 HG22 THR 93 1HG2 THR 93 3.325 0.917 7.553 770 HG23 THR 93 2HG2 THR 93 2.661 1.015 5.923 771 H VAL 94 H VAL 94 2.394 2.172 3.563 772 HA VAL 94 HA VAL 94 2.266 5.151 3.932 773 HB VAL 94 HB VAL 94 1.013 3.306 1.886 774 HG11 VAL 94 1HG1 VAL 94 -0.720 4.850 2.386 775 HG12 VAL 94 2HG1 VAL 94 0.088 5.529 0.974 776 HG13 VAL 94 3HG1 VAL 94 0.415 6.184 2.578 777 HG21 VAL 94 3HG2 VAL 94 2.847 5.704 1.633 778 HG22 VAL 94 1HG2 VAL 94 2.255 4.711 0.303 779 HG23 VAL 94 2HG2 VAL 94 3.354 4.021 1.498 780 H LEU 95 H LEU 95 0.621 5.922 5.199 781 HA LEU 95 HA LEU 95 -1.165 3.914 6.452 782 HB2 LEU 95 1HB LEU 95 0.101 5.584 7.833 783 HB3 LEU 95 2HB LEU 95 -0.838 6.865 7.070 784 HG LEU 95 HG LEU 95 -2.929 5.789 7.900 785 HD11 LEU 95 1HD1 LEU 95 -2.352 4.129 9.909 786 HD12 LEU 95 2HD1 LEU 95 -0.941 3.782 8.914 787 HD13 LEU 95 3HD1 LEU 95 -2.563 3.535 8.267 788 HD21 LEU 95 3HD2 LEU 95 -2.114 7.570 9.243 789 HD22 LEU 95 1HD2 LEU 95 -0.777 6.605 9.860 790 HD23 LEU 95 2HD2 LEU 95 -2.425 6.263 10.382 791 H LEU 96 H LEU 96 -3.039 3.544 5.416 792 HA LEU 96 HA LEU 96 -4.271 5.330 3.531 793 HB2 LEU 96 1HB LEU 96 -5.296 2.923 5.053 794 HB3 LEU 96 2HB LEU 96 -6.255 3.765 3.839 795 HG LEU 96 HG LEU 96 -3.502 2.598 3.319 796 HD11 LEU 96 1HD1 LEU 96 -4.824 0.697 3.705 797 HD12 LEU 96 2HD1 LEU 96 -4.956 0.912 1.961 798 HD13 LEU 96 3HD1 LEU 96 -6.269 1.434 3.015 799 HD21 LEU 96 3HD2 LEU 96 -5.549 4.046 1.652 800 HD22 LEU 96 1HD2 LEU 96 -4.607 2.767 0.884 801 HD23 LEU 96 2HD2 LEU 96 -3.790 4.146 1.608 802 H ASN 97 H ASN 97 -4.815 4.663 6.967 803 HA ASN 97 HA ASN 97 -7.143 6.353 7.181 804 HB2 ASN 97 1HB ASN 97 -6.474 4.490 8.767 805 HB3 ASN 97 2HB ASN 97 -5.241 5.580 9.402 806 HD21 ASN 97 2HD2 ASN 97 -6.402 5.603 11.502 807 HD22 ASN 97 1HD2 ASN 97 -7.813 6.526 11.687 808 H GLY 98 H GLY 98 -3.915 7.062 6.671 809 HA2 GLY 98 1HA GLY 98 -3.395 9.283 8.343 810 HA3 GLY 98 2HA GLY 98 -2.697 9.056 6.741 811 HA PRO 99 HA PRO 99 -5.733 12.678 6.748 812 HB2 PRO 99 1HB PRO 99 -3.932 14.688 6.336 813 HB3 PRO 99 2HB PRO 99 -4.320 14.081 7.959 814 HG2 PRO 99 1HG PRO 99 -1.979 13.431 6.215 815 HG3 PRO 99 2HG PRO 99 -2.022 13.775 7.954 816 HD2 PRO 99 1HD PRO 99 -1.894 11.230 6.957 817 HD3 PRO 99 2HD PRO 99 -2.687 11.614 8.500 818 H LEU 100 H LEU 100 -3.327 11.338 4.736 819 HA LEU 100 HA LEU 100 -3.627 12.982 2.407 820 HB2 LEU 100 1HB LEU 100 -2.624 11.001 1.224 821 HB3 LEU 100 2HB LEU 100 -1.698 11.589 2.599 822 HG LEU 100 HG LEU 100 -3.343 9.714 3.824 823 HD11 LEU 100 1HD1 LEU 100 -2.460 8.361 1.282 824 HD12 LEU 100 2HD1 LEU 100 -4.057 9.100 1.411 825 HD13 LEU 100 3HD1 LEU 100 -3.598 7.795 2.504 826 HD21 LEU 100 3HD2 LEU 100 -1.356 8.283 3.896 827 HD22 LEU 100 1HD2 LEU 100 -0.895 9.971 4.102 828 HD23 LEU 100 2HD2 LEU 100 -0.642 9.175 2.552 829 H GLY 101 H GLY 101 -5.068 12.893 0.747 830 HA2 GLY 101 1HA GLY 101 -7.477 11.234 1.123 831 HA3 GLY 101 2HA GLY 101 -7.286 12.542 -0.039 832 H ALA 102 H ALA 102 -8.429 10.557 -1.188 833 HA ALA 102 HA ALA 102 -6.842 8.365 -2.122 834 HB1 ALA 102 3HB ALA 102 -8.606 8.099 -3.810 835 HB2 ALA 102 1HB ALA 102 -9.212 9.716 -3.450 836 HB3 ALA 102 2HB ALA 102 -9.320 8.441 -2.235 837 H LYS 103 H LYS 103 -7.343 11.654 -3.326 838 HA LYS 103 HA LYS 103 -6.196 11.384 -5.893 839 HB2 LYS 103 1HB LYS 103 -5.710 13.812 -5.717 840 HB3 LYS 103 2HB LYS 103 -7.336 13.430 -5.154 841 HG2 LYS 103 1HG LYS 103 -6.446 13.366 -2.805 842 HG3 LYS 103 2HG LYS 103 -4.893 13.920 -3.427 843 HD2 LYS 103 1HD LYS 103 -5.996 15.934 -4.356 844 HD3 LYS 103 2HD LYS 103 -7.521 15.402 -3.648 845 HE2 LYS 103 1HE LYS 103 -4.978 15.984 -2.098 846 HE3 LYS 103 2HE LYS 103 -6.384 17.045 -2.188 847 HZ1 LYS 103 3HZ LYS 103 -6.382 14.274 -1.116 848 HZ2 LYS 103 1HZ LYS 103 -7.723 15.309 -1.186 849 HZ3 LYS 103 2HZ LYS 103 -6.408 15.694 -0.182 850 H GLU 104 H GLU 104 -4.603 11.980 -2.757 851 HA GLU 104 HA GLU 104 -1.964 12.235 -3.857 852 HB2 GLU 104 1HB GLU 104 -2.734 13.007 -1.584 853 HB3 GLU 104 2HB GLU 104 -2.766 11.318 -1.086 854 HG2 GLU 104 1HG GLU 104 -0.654 12.208 -0.410 855 HG3 GLU 104 2HG GLU 104 -0.345 11.165 -1.795 856 H ILE 105 H ILE 105 -3.829 9.510 -2.546 857 HA ILE 105 HA ILE 105 -1.703 7.592 -2.647 858 HB ILE 105 HB ILE 105 -4.713 7.249 -2.804 859 HG12 ILE 105 1HG1 ILE 105 -2.792 6.718 -0.519 860 HG13 ILE 105 2HG1 ILE 105 -3.651 8.244 -0.720 861 HG21 ILE 105 1HG2 ILE 105 -3.777 5.264 -3.751 862 HG22 ILE 105 2HG2 ILE 105 -4.109 4.873 -2.064 863 HG23 ILE 105 3HG2 ILE 105 -2.462 5.239 -2.577 864 HD11 ILE 105 3HD1 ILE 105 -5.758 7.249 -0.369 865 HD12 ILE 105 1HD1 ILE 105 -4.725 6.429 0.800 866 HD13 ILE 105 2HD1 ILE 105 -5.153 5.627 -0.710 867 H HIS 106 H HIS 106 -4.216 8.493 -5.007 868 HA HIS 106 HA HIS 106 -3.648 6.547 -6.978 869 HB2 HIS 106 1HB HIS 106 -4.547 9.424 -7.308 870 HB3 HIS 106 2HB HIS 106 -4.592 8.212 -8.586 871 HD1 HIS 106 HD1 HIS 106 -7.264 9.311 -7.873 872 HD2 HIS 106 HD2 HIS 106 -5.613 6.108 -5.776 873 HE1 HIS 106 HE1 HIS 106 -9.198 8.107 -6.765 874 H SER 107 H SER 107 -2.197 9.769 -6.481 875 HA SER 107 HA SER 107 -0.447 9.670 -8.740 876 HB2 SER 107 1HB SER 107 -0.743 11.783 -7.688 877 HB3 SER 107 2HB SER 107 -0.335 11.139 -6.101 878 HG SER 107 HG SER 107 1.444 11.199 -8.314 879 H LEU 108 H LEU 108 -0.001 8.663 -5.349 880 HA LEU 108 HA LEU 108 2.732 7.857 -5.617 881 HB2 LEU 108 1HB LEU 108 0.537 6.921 -3.746 882 HB3 LEU 108 2HB LEU 108 2.222 6.427 -3.590 883 HG LEU 108 HG LEU 108 1.243 9.300 -3.552 884 HD11 LEU 108 1HD1 LEU 108 2.350 7.731 -1.218 885 HD12 LEU 108 2HD1 LEU 108 0.623 7.774 -1.572 886 HD13 LEU 108 3HD1 LEU 108 1.483 9.264 -1.191 887 HD21 LEU 108 3HD2 LEU 108 3.438 9.600 -4.168 888 HD22 LEU 108 1HD2 LEU 108 3.943 8.022 -3.577 889 HD23 LEU 108 2HD2 LEU 108 3.736 9.360 -2.448 890 H ILE 109 H ILE 109 -0.324 6.113 -6.081 891 HA ILE 109 HA ILE 109 0.834 3.545 -6.580 892 HB ILE 109 HB ILE 109 -1.759 4.808 -7.519 893 HG12 ILE 109 1HG1 ILE 109 -1.252 2.659 -5.440 894 HG13 ILE 109 2HG1 ILE 109 -1.379 4.374 -5.049 895 HG21 ILE 109 1HG2 ILE 109 -1.295 3.089 -9.111 896 HG22 ILE 109 2HG2 ILE 109 -2.409 2.373 -7.946 897 HG23 ILE 109 3HG2 ILE 109 -0.688 1.999 -7.865 898 HD11 ILE 109 3HD1 ILE 109 -3.521 2.775 -6.480 899 HD12 ILE 109 1HD1 ILE 109 -3.644 4.453 -5.957 900 HD13 ILE 109 2HD1 ILE 109 -3.544 3.164 -4.760 901 H GLU 110 H GLU 110 0.022 6.263 -8.732 902 HA GLU 110 HA GLU 110 0.643 5.038 -11.204 903 HB2 GLU 110 1HB GLU 110 -0.367 7.329 -10.863 904 HB3 GLU 110 2HB GLU 110 1.241 7.910 -10.436 905 HG2 GLU 110 1HG GLU 110 0.916 8.382 -12.772 906 HG3 GLU 110 2HG GLU 110 2.046 7.030 -12.670 907 H ASP 111 H ASP 111 2.753 6.672 -8.849 908 HA ASP 111 HA ASP 111 5.172 6.453 -10.368 909 HB2 ASP 111 1HB ASP 111 4.638 6.621 -7.390 910 HB3 ASP 111 2HB ASP 111 6.266 6.606 -8.068 911 H SER 112 H SER 112 3.516 4.293 -8.116 912 HA SER 112 HA SER 112 5.539 2.305 -7.863 913 HB2 SER 112 1HB SER 112 2.586 1.675 -7.956 914 HB3 SER 112 2HB SER 112 3.840 0.925 -6.970 915 HG SER 112 HG SER 112 3.639 2.480 -5.564 916 H PHE 113 H PHE 113 2.982 2.781 -10.260 917 HA PHE 113 HA PHE 113 3.303 0.358 -11.703 918 HB2 PHE 113 1HB PHE 113 1.419 1.930 -12.037 919 HB3 PHE 113 2HB PHE 113 2.530 3.096 -12.757 920 HD1 PHE 113 HD2 PHE 113 1.425 -0.469 -13.097 921 HD2 PHE 113 HD1 PHE 113 2.908 3.043 -15.076 922 HE1 PHE 113 HE2 PHE 113 1.179 -1.601 -15.289 923 HE2 PHE 113 HE1 PHE 113 2.662 1.911 -17.269 924 HZ PHE 113 HZ PHE 113 1.798 -0.411 -17.374 925 H GLN 114 H GLN 114 4.925 3.508 -12.059 926 HA GLN 114 HA GLN 114 6.399 3.023 -14.393 927 HB2 GLN 114 1HB GLN 114 7.308 4.464 -11.884 928 HB3 GLN 114 2HB GLN 114 8.052 4.624 -13.475 929 HG2 GLN 114 1HG GLN 114 5.151 5.264 -12.865 930 HG3 GLN 114 2HG GLN 114 6.440 6.464 -12.979 931 HE21 GLN 114 2HE2 GLN 114 3.966 5.271 -14.775 932 HE22 GLN 114 1HE2 GLN 114 4.622 5.425 -16.333 933 H LEU 115 H LEU 115 7.293 2.180 -11.040 934 HA LEU 115 HA LEU 115 9.806 0.977 -11.719 935 HB2 LEU 115 1HB LEU 115 7.952 0.839 -9.351 936 HB3 LEU 115 2HB LEU 115 9.358 -0.222 -9.421 937 HG LEU 115 HG LEU 115 9.774 1.949 -8.220 938 HD11 LEU 115 1HD1 LEU 115 11.497 0.568 -9.794 939 HD12 LEU 115 2HD1 LEU 115 11.951 2.026 -8.932 940 HD13 LEU 115 3HD1 LEU 115 11.528 2.118 -10.636 941 HD21 LEU 115 3HD2 LEU 115 8.255 3.237 -9.814 942 HD22 LEU 115 1HD2 LEU 115 9.588 3.206 -10.968 943 HD23 LEU 115 2HD2 LEU 115 9.783 4.023 -9.417 944 H THR 116 H THR 116 6.543 -0.372 -11.371 945 HA THR 116 HA THR 116 7.559 -3.065 -12.094 946 HB THR 116 HB THR 116 5.435 -3.881 -11.404 947 HG1 THR 116 HG1 THR 116 3.723 -2.773 -11.818 948 HG21 THR 116 3HG2 THR 116 5.808 -1.478 -9.602 949 HG22 THR 116 1HG2 THR 116 6.966 -2.809 -9.618 950 HG23 THR 116 2HG2 THR 116 5.289 -3.105 -9.161 951 H ARG 117 H ARG 117 7.191 -0.523 -13.877 952 HA ARG 117 HA ARG 117 5.181 -1.045 -15.821 953 HB2 ARG 117 1HB ARG 117 6.411 1.089 -15.639 954 HB3 ARG 117 2HB ARG 117 7.874 0.293 -16.210 955 HG2 ARG 117 1HG ARG 117 6.752 -0.255 -18.337 956 HG3 ARG 117 2HG ARG 117 5.275 0.518 -17.763 957 HD2 ARG 117 1HD ARG 117 6.569 2.657 -17.507 958 HD3 ARG 117 2HD ARG 117 7.954 1.856 -18.253 959 HE ARG 117 HE ARG 117 5.707 1.520 -19.968 960 HH11 ARG 117 1HH2 ARG 117 7.805 3.961 -18.717 961 HH12 ARG 117 2HH2 ARG 117 7.659 4.979 -20.110 962 HH21 ARG 117 1HH1 ARG 117 5.512 2.835 -21.785 963 HH22 ARG 117 2HH1 ARG 117 6.362 4.343 -21.847 964 H LEU 118 H LEU 118 5.184 -2.217 -17.719 965 HA LEU 118 HA LEU 118 6.979 -4.496 -17.876 966 HB2 LEU 118 1HB LEU 118 4.826 -3.488 -19.753 967 HB3 LEU 118 2HB LEU 118 5.670 -5.025 -19.940 968 HG LEU 118 HG LEU 118 4.099 -4.233 -17.471 969 HD11 LEU 118 1HD1 LEU 118 2.382 -5.802 -18.307 970 HD12 LEU 118 2HD1 LEU 118 3.320 -6.036 -19.783 971 HD13 LEU 118 3HD1 LEU 118 2.622 -4.458 -19.422 972 HD21 LEU 118 3HD2 LEU 118 4.212 -6.873 -17.280 973 HD22 LEU 118 1HD2 LEU 118 5.577 -5.897 -16.754 974 HD23 LEU 118 2HD2 LEU 118 5.621 -6.694 -18.324 975 H GLU 119 H GLU 119 8.263 -5.039 -19.739 976 HA GLU 119 HA GLU 119 9.974 -4.592 -21.253 977 HB2 GLU 119 1HB GLU 119 8.005 -2.424 -22.029 978 HB3 GLU 119 2HB GLU 119 9.474 -2.777 -22.938 979 HG2 GLU 119 1HG GLU 119 8.740 -5.087 -23.279 980 HG3 GLU 119 2HG GLU 119 7.294 -4.789 -22.314 981 H HIS 120 H HIS 120 11.713 -4.024 -20.032 982 HA HIS 120 HA HIS 120 11.906 -1.329 -18.862 983 HB2 HIS 120 1HB HIS 120 12.728 -3.173 -17.526 984 HB3 HIS 120 2HB HIS 120 13.783 -3.710 -18.835 985 HD1 HIS 120 HD1 HIS 120 13.232 -0.348 -17.089 986 HD2 HIS 120 HD2 HIS 120 16.343 -2.845 -18.301 987 HE1 HIS 120 HE1 HIS 120 15.383 0.827 -16.451 988 H HIS 121 H HIS 121 13.181 0.304 -19.634 989 HA HIS 121 HA HIS 121 14.033 0.232 -22.388 990 HB2 HIS 121 1HB HIS 121 14.481 2.213 -20.145 991 HB3 HIS 121 2HB HIS 121 15.035 2.486 -21.798 992 HD1 HIS 121 HD1 HIS 121 11.892 2.144 -19.746 993 HD2 HIS 121 HD2 HIS 121 12.991 3.103 -23.650 994 HE1 HIS 121 HE1 HIS 121 9.809 3.039 -20.876 995 H HIS 122 H HIS 122 16.187 0.294 -23.212 996 HA HIS 122 HA HIS 122 18.405 -0.220 -21.299 997 HB2 HIS 122 1HB HIS 122 19.183 -2.130 -22.723 998 HB3 HIS 122 2HB HIS 122 17.667 -2.458 -21.887 999 HD1 HIS 122 HD1 HIS 122 18.920 -1.348 -25.308 1000 HD2 HIS 122 HD2 HIS 122 15.551 -3.090 -23.576 1001 HE1 HIS 122 HE1 HIS 122 17.400 -2.027 -27.219 1002 H HIS 123 H HIS 123 20.523 -0.024 -22.362 1003 HA HIS 123 HA HIS 123 20.485 2.113 -24.399 1004 HB2 HIS 123 1HB HIS 123 22.703 0.816 -22.785 1005 HB3 HIS 123 2HB HIS 123 22.961 2.126 -23.940 1006 HD1 HIS 123 HD1 HIS 123 21.590 4.404 -23.407 1007 HD2 HIS 123 HD2 HIS 123 21.864 1.667 -20.274 1008 HE1 HIS 123 HE1 HIS 123 20.982 5.666 -21.296 1009 H HIS 124 H HIS 124 20.767 -1.289 -24.255 1010 HA HIS 124 HA HIS 124 21.447 -1.374 -27.123 1011 HB2 HIS 124 1HB HIS 124 23.245 -3.061 -26.761 1012 HB3 HIS 124 2HB HIS 124 23.661 -1.479 -26.107 1013 HD1 HIS 124 HD1 HIS 124 21.297 -3.806 -24.318 1014 HD2 HIS 124 HD2 HIS 124 25.251 -2.525 -24.017 1015 HE1 HIS 124 HE1 HIS 124 22.153 -4.642 -22.085 1016 H HIS 125 H HIS 125 21.177 -3.624 -27.984 1017 HA HIS 125 HA HIS 125 18.694 -4.741 -27.297 1018 HB2 HIS 125 1HB HIS 125 21.095 -6.046 -28.610 1019 HB3 HIS 125 2HB HIS 125 19.478 -6.750 -28.578 1020 HD1 HIS 125 HD1 HIS 125 21.503 -4.051 -30.183 1021 HD2 HIS 125 HD2 HIS 125 17.542 -5.349 -30.182 1022 HE1 HIS 125 HE1 HIS 125 20.363 -2.871 -32.112 Start of MODEL 20 1 H1 MET 1 1H MET 1 -8.254 7.802 3.403 2 H2 MET 1 2H MET 1 -9.824 8.342 3.762 3 H3 MET 1 3H MET 1 -8.978 8.995 2.441 4 HA MET 1 HA MET 1 -10.692 7.392 1.762 5 HB2 MET 1 1HB MET 1 -8.653 7.808 0.398 6 HB3 MET 1 2HB MET 1 -7.842 6.493 1.246 7 HG2 MET 1 1HG MET 1 -9.418 4.876 0.402 8 HG3 MET 1 2HG MET 1 -10.445 6.146 -0.264 9 HE1 MET 1 3HE MET 1 -7.710 3.579 -1.220 10 HE2 MET 1 1HE MET 1 -7.013 4.712 -0.058 11 HE3 MET 1 2HE MET 1 -6.390 4.641 -1.703 12 H ASN 2 H ASN 2 -11.634 5.416 2.084 13 HA ASN 2 HA ASN 2 -10.652 3.840 4.388 14 HB2 ASN 2 1HB ASN 2 -12.835 2.735 4.295 15 HB3 ASN 2 2HB ASN 2 -13.042 4.485 4.272 16 HD21 ASN 2 2HD2 ASN 2 -15.222 3.748 3.249 17 HD22 ASN 2 1HD2 ASN 2 -15.246 3.549 1.563 18 H ARG 3 H ARG 3 -10.916 1.417 4.169 19 HA ARG 3 HA ARG 3 -9.149 0.425 2.155 20 HB2 ARG 3 1HB ARG 3 -9.538 -0.654 4.376 21 HB3 ARG 3 2HB ARG 3 -11.150 -1.115 3.833 22 HG2 ARG 3 1HG ARG 3 -10.192 -2.437 2.009 23 HG3 ARG 3 2HG ARG 3 -8.569 -1.937 2.477 24 HD2 ARG 3 1HD ARG 3 -8.997 -4.155 3.390 25 HD3 ARG 3 2HD ARG 3 -8.939 -2.998 4.720 26 HE ARG 3 HE ARG 3 -11.640 -3.261 3.818 27 HH11 ARG 3 1HH2 ARG 3 -9.136 -4.976 5.480 28 HH12 ARG 3 2HH2 ARG 3 -10.240 -5.916 6.425 29 HH21 ARG 3 1HH1 ARG 3 -13.071 -4.481 5.043 30 HH22 ARG 3 2HH1 ARG 3 -12.463 -5.639 6.178 31 H GLN 4 H GLN 4 -12.683 0.336 2.467 32 HA GLN 4 HA GLN 4 -13.340 -1.328 0.315 33 HB2 GLN 4 1HB GLN 4 -14.967 -0.272 1.912 34 HB3 GLN 4 2HB GLN 4 -14.757 1.249 1.049 35 HG2 GLN 4 1HG GLN 4 -16.756 0.128 0.217 36 HG3 GLN 4 2HG GLN 4 -15.525 0.127 -1.046 37 HE21 GLN 4 2HE2 GLN 4 -15.998 -1.846 -2.107 38 HE22 GLN 4 1HE2 GLN 4 -15.985 -3.356 -1.331 39 H GLN 5 H GLN 5 -12.579 2.140 0.240 40 HA GLN 5 HA GLN 5 -13.002 2.469 -2.589 41 HB2 GLN 5 1HB GLN 5 -11.441 4.009 -0.515 42 HB3 GLN 5 2HB GLN 5 -11.452 4.500 -2.208 43 HG2 GLN 5 1HG GLN 5 -13.968 4.073 -0.570 44 HG3 GLN 5 2HG GLN 5 -13.198 5.645 -0.782 45 HE21 GLN 5 2HE2 GLN 5 -15.748 3.999 -1.947 46 HE22 GLN 5 1HE2 GLN 5 -15.749 4.516 -3.564 47 H PHE 6 H PHE 6 -10.187 1.597 -0.634 48 HA PHE 6 HA PHE 6 -8.221 1.726 -2.699 49 HB2 PHE 6 1HB PHE 6 -7.719 1.452 -0.266 50 HB3 PHE 6 2HB PHE 6 -8.313 -0.206 -0.367 51 HD1 PHE 6 HD2 PHE 6 -5.940 2.099 -2.137 52 HD2 PHE 6 HD1 PHE 6 -6.763 -1.906 -0.820 53 HE1 PHE 6 HE2 PHE 6 -3.731 1.364 -2.988 54 HE2 PHE 6 HE1 PHE 6 -4.554 -2.641 -1.674 55 HZ PHE 6 HZ PHE 6 -3.038 -1.006 -2.757 56 H ILE 7 H ILE 7 -10.310 -0.956 -1.648 57 HA ILE 7 HA ILE 7 -9.259 -2.912 -3.458 58 HB ILE 7 HB ILE 7 -12.087 -2.687 -2.398 59 HG12 ILE 7 1HG1 ILE 7 -10.472 -2.572 -0.567 60 HG13 ILE 7 2HG1 ILE 7 -11.265 -4.143 -0.558 61 HG21 ILE 7 1HG2 ILE 7 -10.458 -4.955 -3.548 62 HG22 ILE 7 2HG2 ILE 7 -12.026 -4.358 -4.093 63 HG23 ILE 7 3HG2 ILE 7 -11.896 -5.231 -2.565 64 HD11 ILE 7 3HD1 ILE 7 -9.023 -4.748 -0.293 65 HD12 ILE 7 1HD1 ILE 7 -8.445 -3.442 -1.324 66 HD13 ILE 7 2HD1 ILE 7 -9.193 -4.864 -2.043 67 H ASP 8 H ASP 8 -12.034 -0.704 -3.748 68 HA ASP 8 HA ASP 8 -12.822 -1.544 -6.368 69 HB2 ASP 8 1HB ASP 8 -13.173 1.054 -4.862 70 HB3 ASP 8 2HB ASP 8 -13.884 0.774 -6.451 71 H TYR 9 H TYR 9 -10.711 1.101 -5.278 72 HA TYR 9 HA TYR 9 -10.118 2.109 -7.899 73 HB2 TYR 9 1HB TYR 9 -9.729 3.387 -5.805 74 HB3 TYR 9 2HB TYR 9 -8.442 2.259 -5.378 75 HD1 TYR 9 HD2 TYR 9 -6.346 2.175 -6.689 76 HD2 TYR 9 HD1 TYR 9 -9.435 5.032 -7.554 77 HE1 TYR 9 HE2 TYR 9 -4.756 3.480 -8.078 78 HE2 TYR 9 HE1 TYR 9 -7.843 6.335 -8.938 79 HH TYR 9 HH TYR 9 -4.439 5.634 -8.970 80 H ALA 10 H ALA 10 -8.453 -0.239 -5.813 81 HA ALA 10 HA ALA 10 -6.156 -0.624 -7.456 82 HB1 ALA 10 3HB ALA 10 -5.793 -2.642 -6.194 83 HB2 ALA 10 1HB ALA 10 -7.502 -2.753 -5.782 84 HB3 ALA 10 2HB ALA 10 -6.511 -1.472 -5.086 85 H GLN 11 H GLN 11 -9.308 -2.266 -7.450 86 HA GLN 11 HA GLN 11 -8.667 -4.176 -9.497 87 HB2 GLN 11 1HB GLN 11 -11.289 -2.994 -8.558 88 HB3 GLN 11 2HB GLN 11 -11.192 -4.284 -9.757 89 HG2 GLN 11 1HG GLN 11 -10.026 -5.723 -8.158 90 HG3 GLN 11 2HG GLN 11 -10.020 -4.425 -6.963 91 HE21 GLN 11 2HE2 GLN 11 -11.710 -7.184 -7.862 92 HE22 GLN 11 1HE2 GLN 11 -13.207 -6.821 -7.152 93 H LYS 12 H LYS 12 -10.114 -0.934 -9.630 94 HA LYS 12 HA LYS 12 -10.672 -0.940 -12.436 95 HB2 LYS 12 1HB LYS 12 -11.530 0.747 -10.785 96 HB3 LYS 12 2HB LYS 12 -9.907 1.429 -10.709 97 HG2 LYS 12 1HG LYS 12 -9.977 1.934 -13.108 98 HG3 LYS 12 2HG LYS 12 -11.574 1.194 -13.232 99 HD2 LYS 12 1HD LYS 12 -12.472 2.865 -11.645 100 HD3 LYS 12 2HD LYS 12 -10.879 3.613 -11.534 101 HE2 LYS 12 1HE LYS 12 -12.252 4.856 -13.129 102 HE3 LYS 12 2HE LYS 12 -10.944 4.042 -13.988 103 HZ1 LYS 12 3HZ LYS 12 -12.537 2.208 -14.434 104 HZ2 LYS 12 1HZ LYS 12 -12.945 3.674 -15.184 105 HZ3 LYS 12 2HZ LYS 12 -13.775 3.177 -13.786 106 H LYS 13 H LYS 13 -7.770 -0.329 -10.587 107 HA LYS 13 HA LYS 13 -6.286 0.656 -12.926 108 HB2 LYS 13 1HB LYS 13 -5.964 1.493 -10.556 109 HB3 LYS 13 2HB LYS 13 -5.217 -0.062 -10.199 110 HG2 LYS 13 1HG LYS 13 -3.349 1.240 -10.745 111 HG3 LYS 13 2HG LYS 13 -3.709 0.473 -12.289 112 HD2 LYS 13 1HD LYS 13 -4.883 2.462 -13.061 113 HD3 LYS 13 2HD LYS 13 -4.717 3.218 -11.477 114 HE2 LYS 13 1HE LYS 13 -3.018 4.122 -12.944 115 HE3 LYS 13 2HE LYS 13 -2.232 3.093 -11.747 116 HZ1 LYS 13 3HZ LYS 13 -2.162 1.306 -13.340 117 HZ2 LYS 13 1HZ LYS 13 -1.426 2.682 -14.006 118 HZ3 LYS 13 2HZ LYS 13 -2.996 2.241 -14.487 119 H TYR 14 H TYR 14 -6.165 -2.239 -10.816 120 HA TYR 14 HA TYR 14 -4.277 -3.500 -12.776 121 HB2 TYR 14 1HB TYR 14 -4.955 -4.246 -9.920 122 HB3 TYR 14 2HB TYR 14 -3.775 -5.071 -10.937 123 HD1 TYR 14 HD2 TYR 14 -1.786 -3.767 -11.819 124 HD2 TYR 14 HD1 TYR 14 -4.390 -2.239 -8.764 125 HE1 TYR 14 HE2 TYR 14 -0.056 -2.113 -11.172 126 HE2 TYR 14 HE1 TYR 14 -2.659 -0.585 -8.116 127 HH TYR 14 HH TYR 14 -0.586 0.131 -8.450 128 H ASP 15 H ASP 15 -7.554 -3.645 -11.720 129 HA ASP 15 HA ASP 15 -9.263 -5.210 -12.158 130 HB2 ASP 15 1HB ASP 15 -7.352 -5.777 -14.447 131 HB3 ASP 15 2HB ASP 15 -8.929 -6.548 -14.300 132 H THR 16 H THR 16 -7.176 -5.899 -10.290 133 HA THR 16 HA THR 16 -7.176 -8.890 -10.560 134 HB THR 16 HB THR 16 -5.105 -7.078 -9.308 135 HG1 THR 16 HG1 THR 16 -4.787 -8.984 -11.358 136 HG21 THR 16 3HG2 THR 16 -5.177 -8.978 -7.905 137 HG22 THR 16 1HG2 THR 16 -3.898 -9.344 -9.063 138 HG23 THR 16 2HG2 THR 16 -5.495 -10.069 -9.255 139 H LYS 17 H LYS 17 -8.104 -9.992 -8.958 140 HA LYS 17 HA LYS 17 -9.358 -8.516 -6.777 141 HB2 LYS 17 1HB LYS 17 -9.311 -11.513 -7.194 142 HB3 LYS 17 2HB LYS 17 -10.484 -10.580 -6.265 143 HG2 LYS 17 1HG LYS 17 -10.966 -9.345 -8.491 144 HG3 LYS 17 2HG LYS 17 -10.122 -10.691 -9.257 145 HD2 LYS 17 1HD LYS 17 -12.558 -10.899 -7.462 146 HD3 LYS 17 2HD LYS 17 -12.530 -11.137 -9.209 147 HE2 LYS 17 1HE LYS 17 -11.245 -12.852 -7.079 148 HE3 LYS 17 2HE LYS 17 -12.445 -13.327 -8.281 149 HZ1 LYS 17 3HZ LYS 17 -10.444 -14.104 -9.133 150 HZ2 LYS 17 1HZ LYS 17 -9.585 -12.715 -8.677 151 HZ3 LYS 17 2HZ LYS 17 -10.684 -12.645 -9.970 152 HA PRO 18 HA PRO 18 -6.274 -9.031 -3.609 153 HB2 PRO 18 1HB PRO 18 -8.404 -10.342 -1.953 154 HB3 PRO 18 2HB PRO 18 -7.330 -8.993 -1.540 155 HG2 PRO 18 1HG PRO 18 -9.904 -8.604 -2.164 156 HG3 PRO 18 2HG PRO 18 -8.645 -7.440 -2.607 157 HD2 PRO 18 1HD PRO 18 -10.141 -9.331 -4.349 158 HD3 PRO 18 2HD PRO 18 -9.377 -7.776 -4.744 159 H ASP 19 H ASP 19 -4.741 -10.582 -3.272 160 HA ASP 19 HA ASP 19 -5.479 -13.440 -3.780 161 HB2 ASP 19 1HB ASP 19 -3.723 -12.266 -5.212 162 HB3 ASP 19 2HB ASP 19 -2.700 -12.249 -3.778 163 H HIS 20 H HIS 20 -5.601 -14.706 -2.037 164 HA HIS 20 HA HIS 20 -4.600 -13.750 0.535 165 HB2 HIS 20 1HB HIS 20 -6.007 -16.329 -0.178 166 HB3 HIS 20 2HB HIS 20 -5.673 -15.754 1.457 167 HD1 HIS 20 HD1 HIS 20 -7.237 -14.018 2.440 168 HD2 HIS 20 HD2 HIS 20 -7.878 -14.613 -1.636 169 HE1 HIS 20 HE1 HIS 20 -9.344 -12.740 1.852 170 HA PRO 21 HA PRO 21 -0.832 -16.212 -0.224 171 HB2 PRO 21 1HB PRO 21 0.680 -15.182 1.786 172 HB3 PRO 21 2HB PRO 21 0.340 -14.268 0.302 173 HG2 PRO 21 1HG PRO 21 -0.907 -14.018 3.003 174 HG3 PRO 21 2HG PRO 21 -0.477 -12.757 1.839 175 HD2 PRO 21 1HD PRO 21 -3.043 -13.767 2.185 176 HD3 PRO 21 2HD PRO 21 -2.472 -12.945 0.715 177 H TRP 22 H TRP 22 -0.536 -15.714 3.195 178 HA TRP 22 HA TRP 22 -0.549 -18.589 3.684 179 HB2 TRP 22 1HB TRP 22 -0.207 -16.224 5.546 180 HB3 TRP 22 2HB TRP 22 -0.008 -17.911 6.021 181 HD1 TRP 22 HD1 TRP 22 1.695 -19.241 4.020 182 HE1 TRP 22 HE1 TRP 22 4.059 -18.447 3.363 183 HE3 TRP 22 HE3 TRP 22 1.432 -14.360 5.503 184 HZ2 TRP 22 HZ2 TRP 22 5.629 -16.058 3.453 185 HZ3 TRP 22 HZ3 TRP 22 3.375 -12.850 5.205 186 HH2 TRP 22 HH2 TRP 22 5.471 -13.691 4.183 187 H GLU 23 H GLU 23 -2.111 -19.746 4.661 188 HA GLU 23 HA GLU 23 -4.812 -18.796 4.708 189 HB2 GLU 23 1HB GLU 23 -5.357 -20.988 5.539 190 HB3 GLU 23 2HB GLU 23 -4.017 -21.188 4.412 191 HG2 GLU 23 1HG GLU 23 -3.212 -22.449 6.192 192 HG3 GLU 23 2HG GLU 23 -2.546 -20.875 6.622 193 H LYS 24 H LYS 24 -2.310 -19.003 7.154 194 HA LYS 24 HA LYS 24 -4.015 -18.656 9.446 195 HB2 LYS 24 1HB LYS 24 -1.086 -18.014 9.009 196 HB3 LYS 24 2HB LYS 24 -1.892 -17.946 10.576 197 HG2 LYS 24 1HG LYS 24 -2.439 -20.316 10.455 198 HG3 LYS 24 2HG LYS 24 -1.800 -20.413 8.815 199 HD2 LYS 24 1HD LYS 24 -0.047 -21.258 10.162 200 HD3 LYS 24 2HD LYS 24 0.431 -19.593 9.835 201 HE2 LYS 24 1HE LYS 24 -0.350 -18.874 12.013 202 HE3 LYS 24 2HE LYS 24 -1.066 -20.454 12.330 203 HZ1 LYS 24 3HZ LYS 24 1.786 -20.313 11.684 204 HZ2 LYS 24 1HZ LYS 24 0.957 -21.404 12.683 205 HZ3 LYS 24 2HZ LYS 24 1.288 -19.832 13.235 206 H PHE 25 H PHE 25 -3.537 -16.598 6.911 207 HA PHE 25 HA PHE 25 -4.348 -14.253 8.556 208 HB2 PHE 25 1HB PHE 25 -2.028 -14.297 6.619 209 HB3 PHE 25 2HB PHE 25 -2.781 -12.815 7.207 210 HD1 PHE 25 HD1 PHE 25 -2.781 -12.293 9.657 211 HD2 PHE 25 HD2 PHE 25 -0.565 -15.586 8.015 212 HE1 PHE 25 HE1 PHE 25 -1.438 -12.425 11.738 213 HE2 PHE 25 HE2 PHE 25 0.779 -15.717 10.095 214 HZ PHE 25 HZ PHE 25 0.343 -14.136 11.956 215 HA PRO 26 HA PRO 26 -6.725 -14.813 4.566 216 HB2 PRO 26 1HB PRO 26 -9.230 -14.739 5.685 217 HB3 PRO 26 2HB PRO 26 -8.290 -16.235 5.530 218 HG2 PRO 26 1HG PRO 26 -8.695 -14.494 7.916 219 HG3 PRO 26 2HG PRO 26 -8.614 -16.260 7.812 220 HD2 PRO 26 1HD PRO 26 -6.521 -14.693 8.659 221 HD3 PRO 26 2HD PRO 26 -6.298 -16.287 7.910 222 H ASP 27 H ASP 27 -6.730 -12.594 7.206 223 HA ASP 27 HA ASP 27 -8.383 -10.558 5.900 224 HB2 ASP 27 1HB ASP 27 -6.625 -10.547 8.368 225 HB3 ASP 27 2HB ASP 27 -7.526 -9.131 7.824 226 H TYR 28 H TYR 28 -5.304 -11.694 5.423 227 HA TYR 28 HA TYR 28 -4.130 -9.054 4.711 228 HB2 TYR 28 1HB TYR 28 -3.042 -11.837 5.080 229 HB3 TYR 28 2HB TYR 28 -2.128 -10.671 4.124 230 HD1 TYR 28 HD1 TYR 28 -4.172 -10.468 7.286 231 HD2 TYR 28 HD2 TYR 28 -0.404 -9.697 5.366 232 HE1 TYR 28 HE1 TYR 28 -3.330 -9.424 9.362 233 HE2 TYR 28 HE2 TYR 28 0.438 -8.655 7.451 234 HH TYR 28 HH TYR 28 -0.058 -8.024 9.519 235 H ALA 29 H ALA 29 -3.766 -8.452 2.618 236 HA ALA 29 HA ALA 29 -4.653 -10.347 0.458 237 HB1 ALA 29 3HB ALA 29 -6.326 -8.659 0.589 238 HB2 ALA 29 1HB ALA 29 -5.292 -8.182 -0.759 239 HB3 ALA 29 2HB ALA 29 -5.128 -7.384 0.805 240 H VAL 30 H VAL 30 -3.431 -10.342 -1.421 241 HA VAL 30 HA VAL 30 -0.933 -8.683 -1.420 242 HB VAL 30 HB VAL 30 -1.267 -11.626 -2.054 243 HG11 VAL 30 1HG1 VAL 30 0.133 -10.836 -3.802 244 HG12 VAL 30 2HG1 VAL 30 1.259 -11.407 -2.571 245 HG13 VAL 30 3HG1 VAL 30 0.943 -9.681 -2.744 246 HG21 VAL 30 3HG2 VAL 30 0.657 -10.197 -0.200 247 HG22 VAL 30 1HG2 VAL 30 0.364 -11.932 -0.302 248 HG23 VAL 30 2HG2 VAL 30 -0.887 -10.861 0.331 249 H PHE 31 H PHE 31 -0.656 -7.577 -3.258 250 HA PHE 31 HA PHE 31 -2.215 -8.374 -5.697 251 HB2 PHE 31 1HB PHE 31 -1.373 -5.597 -4.813 252 HB3 PHE 31 2HB PHE 31 -2.276 -5.987 -6.278 253 HD1 PHE 31 HD2 PHE 31 -4.578 -6.913 -6.130 254 HD2 PHE 31 HD1 PHE 31 -2.439 -5.587 -2.649 255 HE1 PHE 31 HE2 PHE 31 -6.698 -6.869 -4.843 256 HE2 PHE 31 HE1 PHE 31 -4.559 -5.544 -1.363 257 HZ PHE 31 HZ PHE 31 -6.686 -6.182 -2.460 258 H ARG 32 H ARG 32 -0.822 -9.231 -7.149 259 HA ARG 32 HA ARG 32 1.691 -7.766 -7.750 260 HB2 ARG 32 1HB ARG 32 3.027 -9.841 -7.693 261 HB3 ARG 32 2HB ARG 32 2.375 -9.450 -6.103 262 HG2 ARG 32 1HG ARG 32 0.529 -11.058 -6.465 263 HG3 ARG 32 2HG ARG 32 1.196 -11.461 -8.048 264 HD2 ARG 32 1HD ARG 32 1.938 -13.136 -6.441 265 HD3 ARG 32 2HD ARG 32 3.325 -12.155 -6.919 266 HE ARG 32 HE ARG 32 2.118 -11.016 -4.583 267 HH11 ARG 32 1HH2 ARG 32 3.986 -13.718 -5.669 268 HH12 ARG 32 2HH2 ARG 32 4.750 -13.963 -4.135 269 HH21 ARG 32 1HH1 ARG 32 3.112 -11.333 -2.591 270 HH22 ARG 32 2HH1 ARG 32 4.258 -12.616 -2.398 271 H HIS 33 H HIS 33 2.654 -8.490 -9.797 272 HA HIS 33 HA HIS 33 0.549 -9.304 -11.733 273 HB2 HIS 33 1HB HIS 33 3.313 -8.120 -12.150 274 HB3 HIS 33 2HB HIS 33 2.147 -8.450 -13.432 275 HD1 HIS 33 HD1 HIS 33 3.126 -5.541 -12.807 276 HD2 HIS 33 HD2 HIS 33 -0.373 -7.224 -11.285 277 HE1 HIS 33 HE1 HIS 33 1.598 -3.610 -12.213 278 H SER 34 H SER 34 0.570 -11.259 -12.654 279 HA SER 34 HA SER 34 2.457 -13.297 -11.865 280 HB2 SER 34 1HB SER 34 0.278 -13.165 -13.956 281 HB3 SER 34 2HB SER 34 1.235 -14.617 -13.684 282 HG SER 34 HG SER 34 -0.181 -13.229 -11.653 283 H ASP 35 H ASP 35 2.372 -10.966 -14.414 284 HA ASP 35 HA ASP 35 3.958 -12.310 -16.380 285 HB2 ASP 35 1HB ASP 35 3.586 -9.391 -15.696 286 HB3 ASP 35 2HB ASP 35 4.552 -9.927 -17.069 287 H ASN 36 H ASN 36 4.888 -10.161 -13.689 288 HA ASN 36 HA ASN 36 7.688 -11.225 -13.916 289 HB2 ASN 36 1HB ASN 36 6.730 -8.411 -13.374 290 HB3 ASN 36 2HB ASN 36 8.363 -8.946 -12.974 291 HD21 ASN 36 2HD2 ASN 36 8.046 -6.926 -14.914 292 HD22 ASN 36 1HD2 ASN 36 8.432 -7.549 -16.444 293 H ASP 37 H ASP 37 5.052 -10.180 -11.846 294 HA ASP 37 HA ASP 37 4.709 -10.396 -9.540 295 HB2 ASP 37 1HB ASP 37 5.069 -12.563 -8.671 296 HB3 ASP 37 2HB ASP 37 4.899 -12.826 -10.404 297 H LYS 38 H LYS 38 7.142 -8.925 -10.494 298 HA LYS 38 HA LYS 38 9.052 -9.349 -8.261 299 HB2 LYS 38 1HB LYS 38 9.051 -7.577 -10.714 300 HB3 LYS 38 2HB LYS 38 10.275 -7.434 -9.453 301 HG2 LYS 38 1HG LYS 38 10.870 -9.814 -9.769 302 HG3 LYS 38 2HG LYS 38 9.652 -9.947 -11.033 303 HD2 LYS 38 1HD LYS 38 10.827 -8.260 -12.375 304 HD3 LYS 38 2HD LYS 38 12.038 -8.077 -11.104 305 HE2 LYS 38 1HE LYS 38 12.676 -10.444 -11.361 306 HE3 LYS 38 2HE LYS 38 11.459 -10.642 -12.622 307 HZ1 LYS 38 3HZ LYS 38 13.728 -10.229 -13.476 308 HZ2 LYS 38 1HZ LYS 38 13.696 -8.695 -12.754 309 HZ3 LYS 38 2HZ LYS 38 12.595 -9.071 -13.992 310 H TRP 39 H TRP 39 6.238 -7.634 -8.897 311 HA TRP 39 HA TRP 39 6.941 -5.277 -7.250 312 HB2 TRP 39 1HB TRP 39 4.140 -5.824 -8.187 313 HB3 TRP 39 2HB TRP 39 5.004 -4.291 -8.079 314 HD1 TRP 39 HD1 TRP 39 3.666 -6.370 -10.593 315 HE1 TRP 39 HE1 TRP 39 4.955 -6.225 -12.821 316 HE3 TRP 39 HE3 TRP 39 8.000 -4.198 -8.974 317 HZ2 TRP 39 HZ2 TRP 39 7.489 -5.317 -13.785 318 HZ3 TRP 39 HZ3 TRP 39 9.831 -3.714 -10.561 319 HH2 TRP 39 HH2 TRP 39 9.584 -4.268 -12.965 320 H TYR 40 H TYR 40 6.013 -4.833 -5.248 321 HA TYR 40 HA TYR 40 4.523 -7.081 -3.932 322 HB2 TYR 40 1HB TYR 40 6.648 -5.250 -2.788 323 HB3 TYR 40 2HB TYR 40 5.666 -6.355 -1.823 324 HD1 TYR 40 HD1 TYR 40 8.303 -6.112 -4.401 325 HD2 TYR 40 HD2 TYR 40 5.978 -8.760 -1.945 326 HE1 TYR 40 HE1 TYR 40 9.836 -7.980 -4.963 327 HE2 TYR 40 HE2 TYR 40 7.511 -10.626 -2.505 328 HH TYR 40 HH TYR 40 9.287 -11.259 -3.667 329 H ALA 41 H ALA 41 2.564 -6.482 -3.271 330 HA ALA 41 HA ALA 41 2.091 -3.812 -2.135 331 HB1 ALA 41 3HB ALA 41 1.624 -3.222 -4.395 332 HB2 ALA 41 1HB ALA 41 0.047 -3.540 -3.674 333 HB3 ALA 41 2HB ALA 41 0.806 -4.752 -4.708 334 H LEU 42 H LEU 42 1.277 -4.593 -0.224 335 HA LEU 42 HA LEU 42 -1.085 -6.430 -0.399 336 HB2 LEU 42 1HB LEU 42 -0.172 -7.337 1.876 337 HB3 LEU 42 2HB LEU 42 0.526 -7.940 0.376 338 HG LEU 42 HG LEU 42 1.786 -5.491 1.578 339 HD11 LEU 42 1HD1 LEU 42 1.493 -6.939 3.538 340 HD12 LEU 42 2HD1 LEU 42 3.191 -6.895 3.063 341 HD13 LEU 42 3HD1 LEU 42 2.199 -8.295 2.660 342 HD21 LEU 42 3HD2 LEU 42 3.144 -7.962 0.479 343 HD22 LEU 42 1HD2 LEU 42 3.736 -6.301 0.507 344 HD23 LEU 42 2HD2 LEU 42 2.450 -6.761 -0.607 345 H LEU 43 H LEU 43 -2.635 -6.118 1.184 346 HA LEU 43 HA LEU 43 -2.359 -3.608 2.800 347 HB2 LEU 43 1HB LEU 43 -3.974 -3.472 0.896 348 HB3 LEU 43 2HB LEU 43 -4.884 -4.794 1.611 349 HG LEU 43 HG LEU 43 -4.244 -2.338 3.256 350 HD11 LEU 43 1HD1 LEU 43 -5.259 -1.533 1.155 351 HD12 LEU 43 2HD1 LEU 43 -6.329 -1.297 2.535 352 HD13 LEU 43 3HD1 LEU 43 -6.624 -2.621 1.406 353 HD21 LEU 43 3HD2 LEU 43 -6.210 -4.615 3.399 354 HD22 LEU 43 1HD2 LEU 43 -6.676 -3.060 4.085 355 HD23 LEU 43 2HD2 LEU 43 -5.241 -3.884 4.676 356 H MET 44 H MET 44 -2.541 -3.896 4.945 357 HA MET 44 HA MET 44 -4.247 -6.033 6.031 358 HB2 MET 44 1HB MET 44 -2.118 -6.722 7.501 359 HB3 MET 44 2HB MET 44 -2.455 -7.489 5.951 360 HG2 MET 44 1HG MET 44 -0.091 -6.804 6.114 361 HG3 MET 44 2HG MET 44 -0.916 -5.930 4.827 362 HE1 MET 44 3HE MET 44 1.214 -4.194 4.935 363 HE2 MET 44 1HE MET 44 1.809 -5.293 6.189 364 HE3 MET 44 2HE MET 44 1.791 -3.553 6.472 365 H ASP 45 H ASP 45 -4.329 -5.944 8.412 366 HA ASP 45 HA ASP 45 -4.222 -3.131 9.337 367 HB2 ASP 45 1HB ASP 45 -5.621 -3.933 11.196 368 HB3 ASP 45 2HB ASP 45 -6.312 -4.402 9.644 369 H ILE 46 H ILE 46 -3.078 -2.483 11.153 370 HA ILE 46 HA ILE 46 -1.523 -4.436 12.689 371 HB ILE 46 HB ILE 46 0.645 -3.249 12.208 372 HG12 ILE 46 1HG1 ILE 46 -0.807 -2.145 9.790 373 HG13 ILE 46 2HG1 ILE 46 -0.550 -1.194 11.253 374 HG21 ILE 46 1HG2 ILE 46 -0.156 -5.410 11.096 375 HG22 ILE 46 2HG2 ILE 46 1.108 -4.517 10.256 376 HG23 ILE 46 3HG2 ILE 46 -0.561 -4.412 9.698 377 HD11 ILE 46 3HD1 ILE 46 1.913 -1.680 11.052 378 HD12 ILE 46 1HD1 ILE 46 1.265 -0.709 9.732 379 HD13 ILE 46 2HD1 ILE 46 1.579 -2.429 9.491 380 HA PRO 47 HA PRO 47 -2.302 -1.411 15.823 381 HB2 PRO 47 1HB PRO 47 -0.033 -1.741 17.415 382 HB3 PRO 47 2HB PRO 47 -1.477 -2.766 17.478 383 HG2 PRO 47 1HG PRO 47 1.126 -3.253 16.115 384 HG3 PRO 47 2HG PRO 47 0.058 -4.394 16.949 385 HD2 PRO 47 1HD PRO 47 0.170 -4.243 14.244 386 HD3 PRO 47 2HD PRO 47 -1.330 -4.659 15.099 387 H ALA 48 H ALA 48 -1.877 0.748 16.155 388 HA ALA 48 HA ALA 48 -0.157 2.119 14.344 389 HB1 ALA 48 3HB ALA 48 -2.275 2.870 15.835 390 HB2 ALA 48 1HB ALA 48 -1.135 4.037 15.168 391 HB3 ALA 48 2HB ALA 48 -0.988 3.516 16.848 392 H GLU 49 H GLU 49 0.414 0.705 17.421 393 HA GLU 49 HA GLU 49 2.492 2.269 18.482 394 HB2 GLU 49 1HB GLU 49 3.025 0.400 19.820 395 HB3 GLU 49 2HB GLU 49 1.325 0.150 19.424 396 HG2 GLU 49 1HG GLU 49 2.212 -1.215 17.398 397 HG3 GLU 49 2HG GLU 49 3.746 -1.230 18.261 398 H LYS 50 H LYS 50 2.477 0.423 15.592 399 HA LYS 50 HA LYS 50 5.387 0.018 15.504 400 HB2 LYS 50 1HB LYS 50 3.156 -0.493 13.535 401 HB3 LYS 50 2HB LYS 50 4.852 -0.791 13.152 402 HG2 LYS 50 1HG LYS 50 5.010 -2.312 15.104 403 HG3 LYS 50 2HG LYS 50 3.303 -2.031 15.448 404 HD2 LYS 50 1HD LYS 50 2.703 -2.945 13.239 405 HD3 LYS 50 2HD LYS 50 4.407 -3.227 12.888 406 HE2 LYS 50 1HE LYS 50 2.957 -4.439 15.257 407 HE3 LYS 50 2HE LYS 50 3.183 -5.269 13.717 408 HZ1 LYS 50 3HZ LYS 50 5.627 -4.163 14.624 409 HZ2 LYS 50 1HZ LYS 50 5.251 -5.778 14.272 410 HZ3 LYS 50 2HZ LYS 50 4.957 -5.160 15.826 411 H ILE 51 H ILE 51 3.116 2.422 14.397 412 HA ILE 51 HA ILE 51 5.161 3.613 12.586 413 HB ILE 51 HB ILE 51 3.202 5.278 12.156 414 HG12 ILE 51 1HG1 ILE 51 1.721 2.969 13.437 415 HG13 ILE 51 2HG1 ILE 51 1.881 4.572 14.147 416 HG21 ILE 51 1HG2 ILE 51 2.230 3.741 10.515 417 HG22 ILE 51 2HG2 ILE 51 2.880 2.356 11.391 418 HG23 ILE 51 3HG2 ILE 51 3.973 3.486 10.592 419 HD11 ILE 51 3HD1 ILE 51 0.698 5.556 12.222 420 HD12 ILE 51 1HD1 ILE 51 -0.292 4.303 12.969 421 HD13 ILE 51 2HD1 ILE 51 0.567 3.967 11.472 422 H GLY 52 H GLY 52 4.863 3.612 15.729 423 HA2 GLY 52 1HA GLY 52 6.074 5.076 17.190 424 HA3 GLY 52 2HA GLY 52 5.953 6.355 15.984 425 H ILE 53 H ILE 53 2.912 5.255 16.008 426 HA ILE 53 HA ILE 53 2.027 7.430 17.748 427 HB ILE 53 HB ILE 53 0.510 5.327 16.191 428 HG12 ILE 53 1HG1 ILE 53 0.912 8.303 15.743 429 HG13 ILE 53 2HG1 ILE 53 1.787 7.033 14.892 430 HG21 ILE 53 1HG2 ILE 53 -0.462 7.675 17.843 431 HG22 ILE 53 2HG2 ILE 53 -0.898 5.978 18.036 432 HG23 ILE 53 3HG2 ILE 53 -1.459 6.876 16.629 433 HD11 ILE 53 3HD1 ILE 53 -0.613 6.149 14.300 434 HD12 ILE 53 1HD1 ILE 53 0.050 7.509 13.398 435 HD13 ILE 53 2HD1 ILE 53 -1.114 7.791 14.692 436 H ASN 54 H ASN 54 1.454 7.281 19.816 437 HA ASN 54 HA ASN 54 1.916 4.935 21.380 438 HB2 ASN 54 1HB ASN 54 0.355 7.474 21.923 439 HB3 ASN 54 2HB ASN 54 0.627 6.236 23.149 440 HD21 ASN 54 2HD2 ASN 54 1.691 8.918 23.386 441 HD22 ASN 54 1HD2 ASN 54 3.384 8.808 23.312 442 H GLY 55 H GLY 55 -1.024 6.351 20.011 443 HA2 GLY 55 1HA GLY 55 -3.055 4.923 21.191 444 HA3 GLY 55 2HA GLY 55 -3.057 5.280 19.466 445 H ASP 56 H ASP 56 -3.691 2.844 21.331 446 HA ASP 56 HA ASP 56 -2.001 0.763 20.084 447 HB2 ASP 56 1HB ASP 56 -3.337 -0.778 21.542 448 HB3 ASP 56 2HB ASP 56 -2.548 0.506 22.455 449 H LYS 57 H LYS 57 -4.544 2.529 19.080 450 HA LYS 57 HA LYS 57 -6.404 0.571 18.110 451 HB2 LYS 57 1HB LYS 57 -7.220 2.383 16.645 452 HB3 LYS 57 2HB LYS 57 -6.989 2.949 18.298 453 HG2 LYS 57 1HG LYS 57 -4.761 3.856 17.650 454 HG3 LYS 57 2HG LYS 57 -5.064 3.353 15.985 455 HD2 LYS 57 1HD LYS 57 -7.054 4.795 15.894 456 HD3 LYS 57 2HD LYS 57 -6.796 5.276 17.571 457 HE2 LYS 57 1HE LYS 57 -5.917 6.993 16.056 458 HE3 LYS 57 2HE LYS 57 -4.594 6.232 16.939 459 HZ1 LYS 57 3HZ LYS 57 -3.896 5.090 15.089 460 HZ2 LYS 57 1HZ LYS 57 -4.427 6.541 14.390 461 HZ3 LYS 57 2HZ LYS 57 -5.412 5.159 14.326 462 H ARG 58 H ARG 58 -6.565 -0.426 16.114 463 HA ARG 58 HA ARG 58 -4.044 -0.712 14.617 464 HB2 ARG 58 1HB ARG 58 -5.521 -2.402 13.295 465 HB3 ARG 58 2HB ARG 58 -5.059 -2.802 14.948 466 HG2 ARG 58 1HG ARG 58 -7.199 -2.036 15.791 467 HG3 ARG 58 2HG ARG 58 -7.672 -1.470 14.189 468 HD2 ARG 58 1HD ARG 58 -7.548 -3.787 13.335 469 HD3 ARG 58 2HD ARG 58 -7.074 -4.352 14.937 470 HE ARG 58 HE ARG 58 -9.505 -2.962 15.265 471 HH11 ARG 58 1HH2 ARG 58 -8.273 -5.722 13.585 472 HH12 ARG 58 2HH2 ARG 58 -9.774 -6.583 13.644 473 HH21 ARG 58 1HH1 ARG 58 -11.458 -4.080 15.344 474 HH22 ARG 58 2HH1 ARG 58 -11.573 -5.657 14.637 475 H VAL 59 H VAL 59 -3.769 -0.181 12.471 476 HA VAL 59 HA VAL 59 -5.936 1.445 11.193 477 HB VAL 59 HB VAL 59 -4.134 2.953 10.339 478 HG11 VAL 59 1HG1 VAL 59 -5.524 3.387 12.415 479 HG12 VAL 59 2HG1 VAL 59 -3.974 4.224 12.371 480 HG13 VAL 59 3HG1 VAL 59 -4.166 2.779 13.361 481 HG21 VAL 59 3HG2 VAL 59 -1.972 2.844 11.785 482 HG22 VAL 59 1HG2 VAL 59 -2.140 1.668 10.482 483 HG23 VAL 59 2HG2 VAL 59 -2.458 1.192 12.148 484 H ASP 60 H ASP 60 -5.728 1.623 8.864 485 HA ASP 60 HA ASP 60 -4.822 -0.940 7.700 486 HB2 ASP 60 1HB ASP 60 -6.436 1.386 6.634 487 HB3 ASP 60 2HB ASP 60 -5.977 0.002 5.642 488 H VAL 61 H VAL 61 -3.048 -1.156 6.436 489 HA VAL 61 HA VAL 61 -1.754 1.311 5.355 490 HB VAL 61 HB VAL 61 0.449 0.458 6.023 491 HG11 VAL 61 1HG1 VAL 61 0.272 0.949 8.387 492 HG12 VAL 61 2HG1 VAL 61 -1.446 0.552 8.381 493 HG13 VAL 61 3HG1 VAL 61 -0.866 1.977 7.517 494 HG21 VAL 61 3HG2 VAL 61 -0.017 -1.928 6.048 495 HG22 VAL 61 1HG2 VAL 61 -1.187 -1.723 7.352 496 HG23 VAL 61 2HG2 VAL 61 0.528 -1.445 7.650 497 H ILE 62 H ILE 62 -0.369 0.925 3.551 498 HA ILE 62 HA ILE 62 -0.627 -1.768 2.274 499 HB ILE 62 HB ILE 62 -1.129 -0.695 0.109 500 HG12 ILE 62 1HG1 ILE 62 -1.432 1.848 1.742 501 HG13 ILE 62 2HG1 ILE 62 -0.091 1.518 0.644 502 HG21 ILE 62 1HG2 ILE 62 -3.458 -0.071 0.647 503 HG22 ILE 62 2HG2 ILE 62 -3.024 0.052 2.352 504 HG23 ILE 62 3HG2 ILE 62 -2.949 -1.504 1.532 505 HD11 ILE 62 3HD1 ILE 62 -1.742 1.217 -1.208 506 HD12 ILE 62 1HD1 ILE 62 -1.744 2.848 -0.537 507 HD13 ILE 62 2HD1 ILE 62 -3.020 1.711 -0.099 508 H ASP 63 H ASP 63 1.093 -2.334 0.949 509 HA ASP 63 HA ASP 63 3.595 -0.902 1.474 510 HB2 ASP 63 1HB ASP 63 2.858 -3.455 0.050 511 HB3 ASP 63 2HB ASP 63 4.493 -2.799 -0.063 512 H LEU 64 H LEU 64 4.845 0.190 -0.017 513 HA LEU 64 HA LEU 64 3.752 0.504 -2.778 514 HB2 LEU 64 1HB LEU 64 3.302 2.441 -0.995 515 HB3 LEU 64 2HB LEU 64 4.967 2.869 -1.374 516 HG LEU 64 HG LEU 64 3.525 4.118 -2.858 517 HD11 LEU 64 1HD1 LEU 64 4.495 3.558 -4.933 518 HD12 LEU 64 2HD1 LEU 64 4.510 1.837 -4.565 519 HD13 LEU 64 3HD1 LEU 64 5.638 2.925 -3.757 520 HD21 LEU 64 3HD2 LEU 64 2.365 1.684 -4.173 521 HD22 LEU 64 1HD2 LEU 64 1.663 3.284 -3.942 522 HD23 LEU 64 2HD2 LEU 64 1.690 2.136 -2.609 523 H LYS 65 H LYS 65 5.292 0.098 -4.240 524 HA LYS 65 HA LYS 65 8.065 -0.289 -3.390 525 HB2 LYS 65 1HB LYS 65 7.023 -1.859 -4.958 526 HB3 LYS 65 2HB LYS 65 6.745 -0.550 -6.103 527 HG2 LYS 65 1HG LYS 65 9.155 -0.200 -6.344 528 HG3 LYS 65 2HG LYS 65 9.477 -1.423 -5.116 529 HD2 LYS 65 1HD LYS 65 8.403 -3.133 -6.546 530 HD3 LYS 65 2HD LYS 65 8.105 -1.906 -7.777 531 HE2 LYS 65 1HE LYS 65 10.841 -2.706 -6.739 532 HE3 LYS 65 2HE LYS 65 10.149 -3.214 -8.280 533 HZ1 LYS 65 3HZ LYS 65 11.016 -0.527 -7.438 534 HZ2 LYS 65 1HZ LYS 65 9.864 -0.706 -8.669 535 HZ3 LYS 65 2HZ LYS 65 11.411 -1.386 -8.850 536 H VAL 66 H VAL 66 9.706 1.108 -3.655 537 HA VAL 66 HA VAL 66 9.473 3.298 -5.651 538 HB VAL 66 HB VAL 66 10.224 4.960 -3.966 539 HG11 VAL 66 1HG1 VAL 66 8.076 5.380 -3.111 540 HG12 VAL 66 2HG1 VAL 66 7.690 3.666 -2.970 541 HG13 VAL 66 3HG1 VAL 66 7.754 4.429 -4.560 542 HG21 VAL 66 3HG2 VAL 66 9.771 2.630 -2.078 543 HG22 VAL 66 1HG2 VAL 66 9.876 4.305 -1.545 544 HG23 VAL 66 2HG2 VAL 66 11.263 3.541 -2.315 545 H GLN 67 H GLN 67 11.550 4.368 -6.000 546 HA GLN 67 HA GLN 67 13.722 2.409 -5.879 547 HB2 GLN 67 1HB GLN 67 13.355 5.076 -7.237 548 HB3 GLN 67 2HB GLN 67 14.923 4.272 -7.217 549 HG2 GLN 67 1HG GLN 67 13.821 2.234 -8.187 550 HG3 GLN 67 2HG GLN 67 12.330 3.165 -8.329 551 HE21 GLN 67 2HE2 GLN 67 12.323 4.985 -9.869 552 HE22 GLN 67 1HE2 GLN 67 13.477 5.068 -11.109 553 HA PRO 68 HA PRO 68 15.929 3.941 -2.346 554 HB2 PRO 68 1HB PRO 68 18.288 4.362 -4.143 555 HB3 PRO 68 2HB PRO 68 18.182 3.462 -2.617 556 HG2 PRO 68 1HG PRO 68 18.282 2.243 -5.018 557 HG3 PRO 68 2HG PRO 68 17.401 1.565 -3.638 558 HD2 PRO 68 1HD PRO 68 16.329 2.799 -6.114 559 HD3 PRO 68 2HD PRO 68 15.567 1.650 -4.993 560 H GLU 69 H GLU 69 15.982 5.730 -5.337 561 HA GLU 69 HA GLU 69 16.756 8.260 -3.985 562 HB2 GLU 69 1HB GLU 69 17.006 9.165 -6.183 563 HB3 GLU 69 2HB GLU 69 17.659 7.529 -6.273 564 HG2 GLU 69 1HG GLU 69 15.295 6.816 -7.027 565 HG3 GLU 69 2HG GLU 69 14.995 8.538 -7.266 566 H LEU 70 H LEU 70 13.994 6.630 -5.377 567 HA LEU 70 HA LEU 70 12.291 9.033 -5.271 568 HB2 LEU 70 1HB LEU 70 11.717 6.135 -5.931 569 HB3 LEU 70 2HB LEU 70 10.502 7.406 -5.997 570 HG LEU 70 HG LEU 70 13.080 7.359 -7.597 571 HD11 LEU 70 1HD1 LEU 70 10.259 7.004 -8.616 572 HD12 LEU 70 2HD1 LEU 70 11.306 5.645 -8.212 573 HD13 LEU 70 3HD1 LEU 70 11.768 6.762 -9.497 574 HD21 LEU 70 3HD2 LEU 70 10.862 9.358 -7.266 575 HD22 LEU 70 1HD2 LEU 70 11.589 9.185 -8.865 576 HD23 LEU 70 2HD2 LEU 70 12.591 9.629 -7.487 577 H VAL 71 H VAL 71 13.372 6.768 -3.060 578 HA VAL 71 HA VAL 71 10.984 6.338 -1.505 579 HB VAL 71 HB VAL 71 13.042 4.966 -1.255 580 HG11 VAL 71 1HG1 VAL 71 14.272 7.239 0.306 581 HG12 VAL 71 2HG1 VAL 71 14.517 7.131 -1.437 582 HG13 VAL 71 3HG1 VAL 71 15.054 5.819 -0.389 583 HG21 VAL 71 3HG2 VAL 71 12.890 4.710 1.105 584 HG22 VAL 71 1HG2 VAL 71 11.311 5.316 0.607 585 HG23 VAL 71 2HG2 VAL 71 12.485 6.409 1.342 586 H GLY 72 H GLY 72 13.525 8.790 -1.438 587 HA2 GLY 72 1HA GLY 72 12.726 10.127 0.944 588 HA3 GLY 72 2HA GLY 72 13.616 10.873 -0.381 589 H SER 73 H SER 73 11.804 10.748 -2.449 590 HA SER 73 HA SER 73 10.119 12.982 -1.963 591 HB2 SER 73 1HB SER 73 9.851 10.851 -4.091 592 HB3 SER 73 2HB SER 73 9.061 12.424 -4.119 593 HG SER 73 HG SER 73 10.970 12.520 -5.301 594 H LEU 74 H LEU 74 9.348 9.516 -1.984 595 HA LEU 74 HA LEU 74 6.540 10.059 -1.319 596 HB2 LEU 74 1HB LEU 74 7.017 8.204 -2.772 597 HB3 LEU 74 2HB LEU 74 8.127 7.508 -1.596 598 HG LEU 74 HG LEU 74 5.367 8.015 -0.564 599 HD11 LEU 74 1HD1 LEU 74 4.866 7.234 -2.850 600 HD12 LEU 74 2HD1 LEU 74 4.396 6.041 -1.641 601 HD13 LEU 74 3HD1 LEU 74 5.868 5.811 -2.583 602 HD21 LEU 74 3HD2 LEU 74 6.924 6.838 0.850 603 HD22 LEU 74 1HD2 LEU 74 7.335 5.706 -0.438 604 HD23 LEU 74 2HD2 LEU 74 5.738 5.656 0.300 605 H ARG 75 H ARG 75 9.481 9.335 0.405 606 HA ARG 75 HA ARG 75 8.073 8.491 2.848 607 HB2 ARG 75 1HB ARG 75 10.363 7.658 2.261 608 HB3 ARG 75 2HB ARG 75 10.969 9.299 2.481 609 HG2 ARG 75 1HG ARG 75 10.133 9.267 4.826 610 HG3 ARG 75 2HG ARG 75 9.614 7.600 4.594 611 HD2 ARG 75 1HD ARG 75 11.988 7.009 4.017 612 HD3 ARG 75 2HD ARG 75 12.455 8.652 4.461 613 HE ARG 75 HE ARG 75 10.957 7.282 6.555 614 HH11 ARG 75 1HH2 ARG 75 14.049 7.850 5.116 615 HH12 ARG 75 2HH2 ARG 75 14.927 7.462 6.557 616 HH21 ARG 75 1HH1 ARG 75 12.093 6.779 8.425 617 HH22 ARG 75 2HH1 ARG 75 13.823 6.858 8.426 618 H LYS 76 H LYS 76 9.750 11.352 1.640 619 HA LYS 76 HA LYS 76 9.479 12.888 4.065 620 HB2 LYS 76 1HB LYS 76 10.207 14.770 2.723 621 HB3 LYS 76 2HB LYS 76 11.126 13.352 2.232 622 HG2 LYS 76 1HG LYS 76 10.513 13.937 0.106 623 HG3 LYS 76 2HG LYS 76 8.965 13.198 0.508 624 HD2 LYS 76 1HD LYS 76 8.113 15.398 1.231 625 HD3 LYS 76 2HD LYS 76 9.673 16.125 0.856 626 HE2 LYS 76 1HE LYS 76 9.416 15.489 -1.508 627 HE3 LYS 76 2HE LYS 76 7.861 14.738 -1.142 628 HZ1 LYS 76 3HZ LYS 76 8.276 17.355 -1.824 629 HZ2 LYS 76 1HZ LYS 76 8.018 17.406 -0.149 630 HZ3 LYS 76 2HZ LYS 76 6.853 16.700 -1.165 631 H LYS 77 H LYS 77 7.159 11.679 2.116 632 HA LYS 77 HA LYS 77 5.405 14.034 2.053 633 HB2 LYS 77 1HB LYS 77 5.260 11.233 1.035 634 HB3 LYS 77 2HB LYS 77 3.755 12.134 1.230 635 HG2 LYS 77 1HG LYS 77 6.071 13.467 -0.164 636 HG3 LYS 77 2HG LYS 77 5.126 12.274 -1.050 637 HD2 LYS 77 1HD LYS 77 3.072 13.525 -0.622 638 HD3 LYS 77 2HD LYS 77 3.951 14.683 0.374 639 HE2 LYS 77 1HE LYS 77 5.224 15.457 -1.513 640 HE3 LYS 77 2HE LYS 77 4.597 14.160 -2.533 641 HZ1 LYS 77 3HZ LYS 77 3.088 16.437 -1.381 642 HZ2 LYS 77 1HZ LYS 77 2.344 15.102 -2.116 643 HZ3 LYS 77 2HZ LYS 77 3.370 16.108 -3.024 644 HA PRO 78 HA PRO 78 4.100 13.095 6.316 645 HB2 PRO 78 1HB PRO 78 1.854 14.893 5.487 646 HB3 PRO 78 2HB PRO 78 2.869 14.957 6.940 647 HG2 PRO 78 1HG PRO 78 3.219 16.663 4.919 648 HG3 PRO 78 2HG PRO 78 4.591 16.029 5.846 649 HD2 PRO 78 1HD PRO 78 3.698 15.318 3.085 650 HD3 PRO 78 2HD PRO 78 5.328 15.343 3.793 651 H GLY 79 H GLY 79 2.594 11.714 7.213 652 HA2 GLY 79 1HA GLY 79 0.520 10.513 7.337 653 HA3 GLY 79 2HA GLY 79 0.209 10.911 5.649 654 H ILE 80 H ILE 80 3.121 10.125 5.118 655 HA ILE 80 HA ILE 80 2.586 7.197 4.870 656 HB ILE 80 HB ILE 80 4.573 8.963 3.423 657 HG12 ILE 80 1HG1 ILE 80 1.963 7.694 2.522 658 HG13 ILE 80 2HG1 ILE 80 2.198 9.407 2.853 659 HG21 ILE 80 1HG2 ILE 80 4.827 6.954 1.963 660 HG22 ILE 80 2HG2 ILE 80 3.823 6.045 3.082 661 HG23 ILE 80 3HG2 ILE 80 5.386 6.667 3.604 662 HD11 ILE 80 3HD1 ILE 80 3.343 7.750 0.613 663 HD12 ILE 80 1HD1 ILE 80 4.118 9.251 1.106 664 HD13 ILE 80 2HD1 ILE 80 2.458 9.272 0.517 665 H TYR 81 H TYR 81 3.696 5.841 6.151 666 HA TYR 81 HA TYR 81 6.066 6.883 7.638 667 HB2 TYR 81 1HB TYR 81 4.048 4.708 8.184 668 HB3 TYR 81 2HB TYR 81 5.571 4.780 9.068 669 HD1 TYR 81 HD2 TYR 81 6.078 6.657 10.561 670 HD2 TYR 81 HD1 TYR 81 2.330 6.407 8.478 671 HE1 TYR 81 HE2 TYR 81 5.138 8.405 12.046 672 HE2 TYR 81 HE1 TYR 81 1.389 8.157 9.963 673 HH TYR 81 HH TYR 81 1.722 9.312 11.880 674 HA PRO 82 HA PRO 82 8.744 4.146 5.406 675 HB2 PRO 82 1HB PRO 82 10.613 3.551 7.350 676 HB3 PRO 82 2HB PRO 82 10.549 5.098 6.483 677 HG2 PRO 82 1HG PRO 82 9.517 4.412 9.199 678 HG3 PRO 82 2HG PRO 82 10.350 5.876 8.647 679 HD2 PRO 82 1HD PRO 82 7.653 5.791 8.989 680 HD3 PRO 82 2HD PRO 82 8.416 6.799 7.743 681 H ALA 83 H ALA 83 9.081 1.949 5.053 682 HA ALA 83 HA ALA 83 7.291 0.110 6.338 683 HB1 ALA 83 3HB ALA 83 9.598 -0.270 4.429 684 HB2 ALA 83 1HB ALA 83 7.873 -0.323 4.068 685 HB3 ALA 83 2HB ALA 83 8.618 -1.616 5.009 686 H TYR 84 H TYR 84 7.801 -1.732 7.626 687 HA TYR 84 HA TYR 84 9.936 -1.214 9.578 688 HB2 TYR 84 1HB TYR 84 8.193 -3.675 9.584 689 HB3 TYR 84 2HB TYR 84 8.869 -2.793 10.949 690 HD1 TYR 84 HD2 TYR 84 8.053 -0.303 11.217 691 HD2 TYR 84 HD1 TYR 84 5.956 -3.318 8.988 692 HE1 TYR 84 HE2 TYR 84 5.952 0.996 11.433 693 HE2 TYR 84 HE1 TYR 84 3.857 -2.020 9.208 694 HH TYR 84 HH TYR 84 3.003 0.019 9.757 695 H HIS 85 H HIS 85 10.069 -4.187 10.083 696 HA HIS 85 HA HIS 85 11.718 -5.819 9.703 697 HB2 HIS 85 1HB HIS 85 10.734 -5.294 6.884 698 HB3 HIS 85 2HB HIS 85 11.747 -6.662 7.343 699 HD1 HIS 85 HD1 HIS 85 10.673 -8.169 9.389 700 HD2 HIS 85 HD2 HIS 85 8.043 -5.807 7.183 701 HE1 HIS 85 HE1 HIS 85 8.354 -9.091 9.817 702 H MET 86 H MET 86 12.647 -5.123 6.573 703 HA MET 86 HA MET 86 14.849 -3.284 7.365 704 HB2 MET 86 1HB MET 86 15.219 -5.968 5.988 705 HB3 MET 86 2HB MET 86 16.490 -4.769 6.208 706 HG2 MET 86 1HG MET 86 14.950 -6.113 8.453 707 HG3 MET 86 2HG MET 86 16.583 -6.536 7.951 708 HE1 MET 86 3HE MET 86 18.852 -3.865 8.918 709 HE2 MET 86 1HE MET 86 17.963 -3.415 7.457 710 HE3 MET 86 2HE MET 86 18.397 -5.097 7.744 711 H ASN 87 H ASN 87 12.350 -3.994 5.373 712 HA ASN 87 HA ASN 87 13.311 -3.513 2.735 713 HB2 ASN 87 1HB ASN 87 10.655 -2.824 4.025 714 HB3 ASN 87 2HB ASN 87 10.961 -2.716 2.293 715 HD21 ASN 87 2HD2 ASN 87 9.415 -4.694 4.336 716 HD22 ASN 87 1HD2 ASN 87 9.762 -6.206 3.650 717 H LYS 88 H LYS 88 11.230 -1.091 4.200 718 HA LYS 88 HA LYS 88 11.367 1.249 4.226 719 HB2 LYS 88 1HB LYS 88 13.310 0.594 5.770 720 HB3 LYS 88 2HB LYS 88 14.365 0.893 4.393 721 HG2 LYS 88 1HG LYS 88 13.578 3.195 4.226 722 HG3 LYS 88 2HG LYS 88 12.398 2.915 5.506 723 HD2 LYS 88 1HD LYS 88 14.251 2.420 7.083 724 HD3 LYS 88 2HD LYS 88 15.414 2.772 5.804 725 HE2 LYS 88 1HE LYS 88 13.336 4.741 6.805 726 HE3 LYS 88 2HE LYS 88 15.016 4.714 7.340 727 HZ1 LYS 88 3HZ LYS 88 15.248 4.684 4.653 728 HZ2 LYS 88 1HZ LYS 88 15.358 6.073 5.621 729 HZ3 LYS 88 2HZ LYS 88 13.886 5.675 4.873 730 H GLU 89 H GLU 89 14.484 0.616 2.636 731 HA GLU 89 HA GLU 89 14.047 2.579 0.592 732 HB2 GLU 89 1HB GLU 89 15.955 0.231 0.769 733 HB3 GLU 89 2HB GLU 89 16.021 1.447 -0.506 734 HG2 GLU 89 1HG GLU 89 16.398 3.208 1.143 735 HG3 GLU 89 2HG GLU 89 16.221 2.050 2.460 736 H HIS 90 H HIS 90 13.597 -0.929 0.690 737 HA HIS 90 HA HIS 90 12.964 -1.246 -2.097 738 HB2 HIS 90 1HB HIS 90 12.091 -2.941 0.259 739 HB3 HIS 90 2HB HIS 90 12.112 -3.439 -1.431 740 HD1 HIS 90 HD1 HIS 90 14.412 -2.633 1.446 741 HD2 HIS 90 HD2 HIS 90 14.655 -4.150 -2.429 742 HE1 HIS 90 HE1 HIS 90 16.772 -3.509 1.165 743 H TRP 91 H TRP 91 10.731 -1.600 0.677 744 HA TRP 91 HA TRP 91 8.605 -0.284 -0.987 745 HB2 TRP 91 1HB TRP 91 7.565 -2.050 1.122 746 HB3 TRP 91 2HB TRP 91 7.170 -2.010 -0.594 747 HD1 TRP 91 HD1 TRP 91 8.669 -4.165 1.888 748 HE1 TRP 91 HE1 TRP 91 10.092 -6.018 0.799 749 HE3 TRP 91 HE3 TRP 91 9.089 -2.290 -2.837 750 HZ2 TRP 91 HZ2 TRP 91 11.254 -6.622 -1.744 751 HZ3 TRP 91 HZ3 TRP 91 10.357 -3.518 -4.573 752 HH2 TRP 91 HH2 TRP 91 11.440 -5.680 -4.032 753 H ILE 92 H ILE 92 6.958 0.853 0.247 754 HA ILE 92 HA ILE 92 7.863 1.749 2.954 755 HB ILE 92 HB ILE 92 6.813 3.477 0.700 756 HG12 ILE 92 1HG1 ILE 92 9.318 2.698 0.816 757 HG13 ILE 92 2HG1 ILE 92 8.965 4.399 0.556 758 HG21 ILE 92 1HG2 ILE 92 7.396 5.300 2.497 759 HG22 ILE 92 2HG2 ILE 92 7.214 3.979 3.646 760 HG23 ILE 92 3HG2 ILE 92 5.861 4.442 2.615 761 HD11 ILE 92 3HD1 ILE 92 10.745 3.852 2.323 762 HD12 ILE 92 1HD1 ILE 92 9.415 3.302 3.332 763 HD13 ILE 92 2HD1 ILE 92 9.472 4.974 2.793 764 H THR 93 H THR 93 6.243 2.257 4.407 765 HA THR 93 HA THR 93 3.628 1.010 3.810 766 HB THR 93 HB THR 93 3.299 1.551 6.324 767 HG1 THR 93 HG1 THR 93 4.831 2.904 6.895 768 HG21 THR 93 3HG2 THR 93 3.717 -0.699 5.777 769 HG22 THR 93 1HG2 THR 93 5.006 -0.311 6.915 770 HG23 THR 93 2HG2 THR 93 5.340 -0.353 5.183 771 H VAL 94 H VAL 94 1.770 2.143 3.541 772 HA VAL 94 HA VAL 94 1.871 5.125 3.890 773 HB VAL 94 HB VAL 94 0.350 3.413 1.911 774 HG11 VAL 94 1HG1 VAL 94 0.081 6.322 2.670 775 HG12 VAL 94 2HG1 VAL 94 -1.189 5.114 2.486 776 HG13 VAL 94 3HG1 VAL 94 -0.368 5.753 1.062 777 HG21 VAL 94 3HG2 VAL 94 1.716 4.439 0.257 778 HG22 VAL 94 1HG2 VAL 94 2.833 4.047 1.564 779 HG23 VAL 94 2HG2 VAL 94 2.252 5.699 1.366 780 H LEU 95 H LEU 95 0.478 5.956 5.318 781 HA LEU 95 HA LEU 95 -1.358 4.134 6.710 782 HB2 LEU 95 1HB LEU 95 0.094 5.812 7.897 783 HB3 LEU 95 2HB LEU 95 -0.867 7.090 7.160 784 HG LEU 95 HG LEU 95 -2.908 6.083 8.208 785 HD11 LEU 95 1HD1 LEU 95 -2.472 3.847 8.684 786 HD12 LEU 95 2HD1 LEU 95 -2.235 4.571 10.268 787 HD13 LEU 95 3HD1 LEU 95 -0.839 4.176 9.266 788 HD21 LEU 95 3HD2 LEU 95 -1.576 7.967 9.233 789 HD22 LEU 95 1HD2 LEU 95 -0.744 6.764 10.221 790 HD23 LEU 95 2HD2 LEU 95 -2.480 7.006 10.403 791 H LEU 96 H LEU 96 -3.191 3.755 5.582 792 HA LEU 96 HA LEU 96 -4.493 5.629 3.839 793 HB2 LEU 96 1HB LEU 96 -5.461 3.122 5.232 794 HB3 LEU 96 2HB LEU 96 -6.438 4.010 4.065 795 HG LEU 96 HG LEU 96 -3.659 2.946 3.471 796 HD11 LEU 96 1HD1 LEU 96 -5.026 1.256 2.063 797 HD12 LEU 96 2HD1 LEU 96 -6.382 1.696 3.101 798 HD13 LEU 96 3HD1 LEU 96 -4.928 0.985 3.802 799 HD21 LEU 96 3HD2 LEU 96 -5.797 4.344 1.879 800 HD22 LEU 96 1HD2 LEU 96 -4.757 3.180 1.059 801 HD23 LEU 96 2HD2 LEU 96 -4.052 4.582 1.854 802 H ASN 97 H ASN 97 -4.908 4.775 7.233 803 HA ASN 97 HA ASN 97 -7.245 6.449 7.609 804 HB2 ASN 97 1HB ASN 97 -6.681 4.504 9.072 805 HB3 ASN 97 2HB ASN 97 -5.294 5.410 9.680 806 HD21 ASN 97 2HD2 ASN 97 -8.785 5.101 9.846 807 HD22 ASN 97 1HD2 ASN 97 -9.024 6.284 11.039 808 H GLY 98 H GLY 98 -4.036 7.127 7.076 809 HA2 GLY 98 1HA GLY 98 -3.548 9.294 8.896 810 HA3 GLY 98 2HA GLY 98 -2.686 8.999 7.389 811 HA PRO 99 HA PRO 99 -5.410 12.799 6.979 812 HB2 PRO 99 1HB PRO 99 -3.400 14.568 6.346 813 HB3 PRO 99 2HB PRO 99 -3.916 14.233 8.010 814 HG2 PRO 99 1HG PRO 99 -1.555 13.192 6.516 815 HG3 PRO 99 2HG PRO 99 -1.689 13.666 8.218 816 HD2 PRO 99 1HD PRO 99 -1.731 11.053 7.365 817 HD3 PRO 99 2HD PRO 99 -2.517 11.599 8.860 818 H LEU 100 H LEU 100 -2.528 13.197 5.004 819 HA LEU 100 HA LEU 100 -2.616 13.827 2.668 820 HB2 LEU 100 1HB LEU 100 -2.526 11.610 1.418 821 HB3 LEU 100 2HB LEU 100 -1.369 11.828 2.721 822 HG LEU 100 HG LEU 100 -3.981 10.598 3.514 823 HD11 LEU 100 1HD1 LEU 100 -3.039 8.324 2.790 824 HD12 LEU 100 2HD1 LEU 100 -1.992 9.238 1.703 825 HD13 LEU 100 3HD1 LEU 100 -3.744 9.338 1.533 826 HD21 LEU 100 3HD2 LEU 100 -2.009 10.991 5.039 827 HD22 LEU 100 1HD2 LEU 100 -1.113 9.794 4.101 828 HD23 LEU 100 2HD2 LEU 100 -2.559 9.317 4.995 829 H GLY 101 H GLY 101 -4.250 11.322 1.316 830 HA2 GLY 101 1HA GLY 101 -6.979 11.946 1.523 831 HA3 GLY 101 2HA GLY 101 -6.331 13.015 0.279 832 H ALA 102 H ALA 102 -8.235 11.134 -0.394 833 HA ALA 102 HA ALA 102 -7.153 8.641 -1.348 834 HB1 ALA 102 3HB ALA 102 -9.256 8.323 -2.372 835 HB2 ALA 102 1HB ALA 102 -9.494 10.051 -2.628 836 HB3 ALA 102 2HB ALA 102 -9.638 9.376 -1.008 837 H LYS 103 H LYS 103 -7.598 11.830 -2.810 838 HA LYS 103 HA LYS 103 -6.825 11.102 -5.472 839 HB2 LYS 103 1HB LYS 103 -6.330 13.580 -5.702 840 HB3 LYS 103 2HB LYS 103 -7.954 13.200 -5.129 841 HG2 LYS 103 1HG LYS 103 -7.299 13.648 -2.823 842 HG3 LYS 103 2HG LYS 103 -5.624 13.885 -3.310 843 HD2 LYS 103 1HD LYS 103 -6.570 16.073 -3.065 844 HD3 LYS 103 2HD LYS 103 -6.421 15.778 -4.795 845 HE2 LYS 103 1HE LYS 103 -8.748 15.377 -5.039 846 HE3 LYS 103 2HE LYS 103 -8.980 15.176 -3.303 847 HZ1 LYS 103 3HZ LYS 103 -8.325 17.534 -3.047 848 HZ2 LYS 103 1HZ LYS 103 -9.756 17.325 -3.932 849 HZ3 LYS 103 2HZ LYS 103 -8.306 17.682 -4.740 850 H GLU 104 H GLU 104 -4.974 12.086 -2.622 851 HA GLU 104 HA GLU 104 -2.467 12.438 -3.959 852 HB2 GLU 104 1HB GLU 104 -3.026 13.243 -1.642 853 HB3 GLU 104 2HB GLU 104 -2.956 11.567 -1.102 854 HG2 GLU 104 1HG GLU 104 -0.821 12.551 -0.650 855 HG3 GLU 104 2HG GLU 104 -0.605 11.463 -2.017 856 H ILE 105 H ILE 105 -4.013 9.648 -2.397 857 HA ILE 105 HA ILE 105 -1.784 7.865 -2.639 858 HB ILE 105 HB ILE 105 -4.764 7.300 -2.580 859 HG12 ILE 105 1HG1 ILE 105 -2.689 6.948 -0.402 860 HG13 ILE 105 2HG1 ILE 105 -3.670 8.404 -0.571 861 HG21 ILE 105 1HG2 ILE 105 -2.355 5.476 -2.513 862 HG22 ILE 105 2HG2 ILE 105 -3.786 5.367 -3.536 863 HG23 ILE 105 3HG2 ILE 105 -3.903 4.988 -1.820 864 HD11 ILE 105 3HD1 ILE 105 -4.743 6.893 1.026 865 HD12 ILE 105 1HD1 ILE 105 -4.706 5.583 -0.155 866 HD13 ILE 105 2HD1 ILE 105 -5.727 6.994 -0.434 867 H HIS 106 H HIS 106 -4.538 8.537 -4.778 868 HA HIS 106 HA HIS 106 -4.036 6.592 -6.768 869 HB2 HIS 106 1HB HIS 106 -5.141 9.398 -7.011 870 HB3 HIS 106 2HB HIS 106 -5.174 8.221 -8.321 871 HD1 HIS 106 HD1 HIS 106 -7.893 8.933 -7.641 872 HD2 HIS 106 HD2 HIS 106 -5.848 6.146 -5.311 873 HE1 HIS 106 HE1 HIS 106 -9.656 7.611 -6.393 874 H SER 107 H SER 107 -2.769 9.903 -6.481 875 HA SER 107 HA SER 107 -1.240 9.885 -8.893 876 HB2 SER 107 1HB SER 107 -0.763 11.367 -6.296 877 HB3 SER 107 2HB SER 107 0.061 11.717 -7.812 878 HG SER 107 HG SER 107 -1.644 12.770 -8.424 879 H LEU 108 H LEU 108 -0.397 8.948 -5.570 880 HA LEU 108 HA LEU 108 2.361 8.356 -6.104 881 HB2 LEU 108 1HB LEU 108 0.470 7.239 -4.014 882 HB3 LEU 108 2HB LEU 108 2.212 6.971 -4.018 883 HG LEU 108 HG LEU 108 0.866 9.688 -3.903 884 HD11 LEU 108 1HD1 LEU 108 0.663 8.159 -1.855 885 HD12 LEU 108 2HD1 LEU 108 1.389 9.742 -1.582 886 HD13 LEU 108 3HD1 LEU 108 2.413 8.312 -1.699 887 HD21 LEU 108 3HD2 LEU 108 3.716 8.778 -4.136 888 HD22 LEU 108 1HD2 LEU 108 3.391 10.169 -3.098 889 HD23 LEU 108 2HD2 LEU 108 2.936 10.212 -4.800 890 H ILE 109 H ILE 109 -0.578 6.397 -6.217 891 HA ILE 109 HA ILE 109 0.684 3.894 -6.798 892 HB ILE 109 HB ILE 109 -2.065 4.974 -7.474 893 HG12 ILE 109 1HG1 ILE 109 -1.202 2.920 -5.421 894 HG13 ILE 109 2HG1 ILE 109 -1.416 4.631 -5.055 895 HG21 ILE 109 1HG2 ILE 109 -2.584 2.466 -7.760 896 HG22 ILE 109 2HG2 ILE 109 -0.842 2.249 -7.927 897 HG23 ILE 109 3HG2 ILE 109 -1.720 3.260 -9.075 898 HD11 ILE 109 3HD1 ILE 109 -3.766 4.511 -5.738 899 HD12 ILE 109 1HD1 ILE 109 -3.442 3.291 -4.508 900 HD13 ILE 109 2HD1 ILE 109 -3.562 2.822 -6.201 901 H GLU 110 H GLU 110 -0.548 6.489 -8.868 902 HA GLU 110 HA GLU 110 -0.192 5.292 -11.388 903 HB2 GLU 110 1HB GLU 110 -1.233 7.528 -10.988 904 HB3 GLU 110 2HB GLU 110 0.372 8.180 -10.655 905 HG2 GLU 110 1HG GLU 110 1.114 7.570 -12.911 906 HG3 GLU 110 2HG GLU 110 -0.463 6.859 -13.252 907 H ASP 111 H ASP 111 2.179 7.115 -9.442 908 HA ASP 111 HA ASP 111 4.352 6.831 -11.300 909 HB2 ASP 111 1HB ASP 111 4.386 8.470 -9.447 910 HB3 ASP 111 2HB ASP 111 4.426 7.146 -8.282 911 H SER 112 H SER 112 3.188 4.850 -8.612 912 HA SER 112 HA SER 112 5.333 2.957 -8.563 913 HB2 SER 112 1HB SER 112 3.942 1.664 -7.175 914 HB3 SER 112 2HB SER 112 3.309 3.289 -6.930 915 HG SER 112 HG SER 112 1.910 1.294 -7.626 916 H PHE 113 H PHE 113 2.403 3.191 -10.511 917 HA PHE 113 HA PHE 113 2.516 0.616 -11.746 918 HB2 PHE 113 1HB PHE 113 0.567 2.172 -11.889 919 HB3 PHE 113 2HB PHE 113 1.515 3.216 -12.945 920 HD1 PHE 113 HD2 PHE 113 0.132 -0.234 -12.617 921 HD2 PHE 113 HD1 PHE 113 1.709 2.756 -15.269 922 HE1 PHE 113 HE2 PHE 113 -0.512 -1.623 -14.567 923 HE2 PHE 113 HE1 PHE 113 1.062 1.367 -17.219 924 HZ PHE 113 HZ PHE 113 -0.047 -0.823 -16.868 925 H GLN 114 H GLN 114 3.917 3.749 -12.713 926 HA GLN 114 HA GLN 114 5.058 2.909 -15.177 927 HB2 GLN 114 1HB GLN 114 5.995 4.990 -13.193 928 HB3 GLN 114 2HB GLN 114 6.674 4.798 -14.810 929 HG2 GLN 114 1HG GLN 114 4.469 5.206 -15.807 930 HG3 GLN 114 2HG GLN 114 3.752 5.344 -14.202 931 HE21 GLN 114 2HE2 GLN 114 3.290 7.547 -13.951 932 HE22 GLN 114 1HE2 GLN 114 4.395 8.802 -14.244 933 H LEU 115 H LEU 115 6.359 2.796 -11.880 934 HA LEU 115 HA LEU 115 8.943 1.760 -12.605 935 HB2 LEU 115 1HB LEU 115 7.351 1.610 -10.035 936 HB3 LEU 115 2HB LEU 115 9.009 1.033 -10.178 937 HG LEU 115 HG LEU 115 8.202 3.856 -10.926 938 HD11 LEU 115 1HD1 LEU 115 8.942 4.574 -8.718 939 HD12 LEU 115 2HD1 LEU 115 9.338 2.914 -8.273 940 HD13 LEU 115 3HD1 LEU 115 7.656 3.381 -8.529 941 HD21 LEU 115 3HD2 LEU 115 10.341 3.382 -11.837 942 HD22 LEU 115 1HD2 LEU 115 10.819 2.413 -10.443 943 HD23 LEU 115 2HD2 LEU 115 10.714 4.166 -10.306 944 H THR 116 H THR 116 5.878 0.216 -11.763 945 HA THR 116 HA THR 116 7.075 -2.476 -12.010 946 HB THR 116 HB THR 116 4.885 -3.293 -11.339 947 HG1 THR 116 HG1 THR 116 3.940 -0.640 -11.345 948 HG21 THR 116 3HG2 THR 116 6.150 -2.548 -9.465 949 HG22 THR 116 1HG2 THR 116 4.538 -1.874 -9.238 950 HG23 THR 116 2HG2 THR 116 5.844 -0.852 -9.833 951 H ARG 117 H ARG 117 6.249 -0.243 -14.200 952 HA ARG 117 HA ARG 117 4.546 -1.771 -15.996 953 HB2 ARG 117 1HB ARG 117 4.845 0.767 -15.954 954 HB3 ARG 117 2HB ARG 117 6.384 0.504 -16.774 955 HG2 ARG 117 1HG ARG 117 5.195 -0.684 -18.593 956 HG3 ARG 117 2HG ARG 117 3.664 -0.404 -17.767 957 HD2 ARG 117 1HD ARG 117 5.525 1.813 -18.673 958 HD3 ARG 117 2HD ARG 117 4.132 1.252 -19.596 959 HE ARG 117 HE ARG 117 3.252 1.903 -16.968 960 HH11 ARG 117 1HH2 ARG 117 4.509 3.352 -19.843 961 HH12 ARG 117 2HH2 ARG 117 3.728 4.873 -19.569 962 HH21 ARG 117 1HH1 ARG 117 2.236 3.880 -16.605 963 HH22 ARG 117 2HH1 ARG 117 2.444 5.171 -17.740 964 H LEU 118 H LEU 118 6.441 -3.507 -15.258 965 HA LEU 118 HA LEU 118 8.272 -4.821 -15.945 966 HB2 LEU 118 1HB LEU 118 6.791 -4.305 -18.540 967 HB3 LEU 118 2HB LEU 118 8.006 -5.562 -18.313 968 HG LEU 118 HG LEU 118 6.425 -6.171 -16.207 969 HD11 LEU 118 1HD1 LEU 118 4.829 -4.353 -16.603 970 HD12 LEU 118 2HD1 LEU 118 4.049 -5.912 -16.859 971 HD13 LEU 118 3HD1 LEU 118 4.547 -4.937 -18.242 972 HD21 LEU 118 3HD2 LEU 118 5.237 -7.786 -17.736 973 HD22 LEU 118 1HD2 LEU 118 6.990 -7.776 -17.921 974 HD23 LEU 118 2HD2 LEU 118 5.975 -6.950 -19.102 975 H GLU 119 H GLU 119 9.651 -4.867 -18.414 976 HA GLU 119 HA GLU 119 11.360 -2.474 -18.080 977 HB2 GLU 119 1HB GLU 119 11.755 -5.038 -19.637 978 HB3 GLU 119 2HB GLU 119 12.949 -3.751 -19.497 979 HG2 GLU 119 1HG GLU 119 11.788 -5.295 -17.159 980 HG3 GLU 119 2HG GLU 119 13.364 -5.600 -17.891 981 H HIS 120 H HIS 120 12.002 -3.605 -21.020 982 HA HIS 120 HA HIS 120 9.930 -2.102 -22.505 983 HB2 HIS 120 1HB HIS 120 11.511 -0.634 -23.583 984 HB3 HIS 120 2HB HIS 120 11.753 -0.494 -21.844 985 HD1 HIS 120 HD1 HIS 120 13.860 -1.829 -20.840 986 HD2 HIS 120 HD2 HIS 120 13.777 -1.463 -24.993 987 HE1 HIS 120 HE1 HIS 120 16.197 -2.370 -21.656 988 H HIS 121 H HIS 121 9.900 -4.684 -22.733 989 HA HIS 121 HA HIS 121 11.777 -5.706 -24.753 990 HB2 HIS 121 1HB HIS 121 9.324 -6.932 -23.466 991 HB3 HIS 121 2HB HIS 121 10.373 -7.775 -24.605 992 HD1 HIS 121 HD1 HIS 121 12.958 -7.989 -23.836 993 HD2 HIS 121 HD2 HIS 121 10.245 -6.960 -20.844 994 HE1 HIS 121 HE1 HIS 121 14.125 -8.425 -21.632 995 H HIS 122 H HIS 122 11.082 -6.548 -26.806 996 HA HIS 122 HA HIS 122 10.052 -6.303 -28.886 997 HB2 HIS 122 1HB HIS 122 8.220 -7.489 -27.706 998 HB3 HIS 122 2HB HIS 122 7.568 -5.938 -27.179 999 HD1 HIS 122 HD1 HIS 122 8.446 -7.713 -30.447 1000 HD2 HIS 122 HD2 HIS 122 5.815 -4.820 -29.000 1001 HE1 HIS 122 HE1 HIS 122 6.920 -7.103 -32.375 1002 H HIS 123 H HIS 123 10.695 -3.853 -26.989 1003 HA HIS 123 HA HIS 123 9.038 -1.751 -28.182 1004 HB2 HIS 123 1HB HIS 123 10.019 -1.707 -25.826 1005 HB3 HIS 123 2HB HIS 123 11.584 -1.406 -26.577 1006 HD1 HIS 123 HD1 HIS 123 11.787 0.839 -28.003 1007 HD2 HIS 123 HD2 HIS 123 8.340 0.526 -25.679 1008 HE1 HIS 123 HE1 HIS 123 10.790 3.163 -27.886 1009 H HIS 124 H HIS 124 9.877 -2.820 -30.361 1010 HA HIS 124 HA HIS 124 12.521 -2.158 -31.300 1011 HB2 HIS 124 1HB HIS 124 9.928 -2.748 -32.749 1012 HB3 HIS 124 2HB HIS 124 11.451 -2.473 -33.588 1013 HD1 HIS 124 HD1 HIS 124 13.395 -4.227 -33.105 1014 HD2 HIS 124 HD2 HIS 124 9.642 -5.310 -31.646 1015 HE1 HIS 124 HE1 HIS 124 13.519 -6.700 -32.574 1016 H HIS 125 H HIS 125 9.379 -0.503 -31.481 1017 HA HIS 125 HA HIS 125 10.506 1.729 -33.024 1018 HB2 HIS 125 1HB HIS 125 7.792 1.301 -31.745 1019 HB3 HIS 125 2HB HIS 125 8.214 2.712 -32.714 1020 HD1 HIS 125 HD1 HIS 125 7.626 -1.003 -32.985 1021 HD2 HIS 125 HD2 HIS 125 8.365 2.237 -35.502 1022 HE1 HIS 125 HE1 HIS 125 7.244 -1.830 -35.349