*HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-SEP-07 2JVD *TITLE SOLUTION NMR STRUCTURE OF THE FOLDED N-TERMINAL FRAGMENT OF *TITLE 2 UPF0291 PROTEIN YNZC FROM BACILLUS SUBTILIS. NORTHEAST *TITLE 3 STRUCTURAL GENOMICS TARGET SR384-1-46 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: UPF0291 PROTEIN YNZC; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: RESIDUES 1-46; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; *SOURCE 3 ORGANISM_COMMON: BACTERIA; *SOURCE 4 STRAIN: 168; *SOURCE 5 GENE: YNZC, BSU17880; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)MGK; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *SOURCE 9 EXPRESSION_SYSTEM_VECTOR: SR384-1-46-21.1; *SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21 *KEYWDS SOLUTION NMR STRUCTURE, CONSTRUCT OPTIMIZATION, CYTOPLASM, *KEYWDS 2 STRUCTURAL GENOMICS, UNKNOWN FUNCTION, PSI-2, PROTEIN *KEYWDS 3 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS *KEYWDS 4 CONSORTIUM, NESG *EXPDTA NMR, 20 STRUCTURES *AUTHOR J.M.ARAMINI, S.SHARMA, Y.J.HUANG, L.ZHAO, L.A.OWENS, *AUTHOR 2 K.STOKES, M.JIANG, R.XIAO, M.C.BARAN, G.V.T.SWAPNA, *AUTHOR 3 T.B.ACTON, G.T.MONTELIONE, NORTHEAST STRUCTURAL GENOMICS *AUTHOR 4 CONSORTIUM (NESG) *REVDAT 1 02-OCT-07 2JVD 0 ! Final combined constraints used in the CNS refinement of SR384-1-46 ! Distance constraints; sum averaging ! 09/20/07 assign (resid 7 and name HA ) (resid 10 and name HG11 ) 4.53 2.73 0.45 assign (resid 24 and name HA ) (resid 27 and name HB2 ) 3.27 1.47 0.33 assign (resid 38 and name HA ) (resid 38 and name HG ) 4.12 2.32 0.41 assign (resid 33 and name HA ) (resid 33 and name HG ) 3.38 1.58 0.34 assign (resid 2 and name HA ) (resid 2 and name HG2* ) 3.64 1.84 0.36 assign (resid 6 and name HA ) (resid 6 and name HG2 ) 3.65 1.85 0.37 assign (resid 7 and name HA ) (resid 7 and name HG2* ) 3.31 1.51 0.33 assign (resid 10 and name HA ) (resid 10 and name HG2* ) 3.38 1.58 0.34 assign (resid 12 and name HA ) (resid 12 and name HG2 ) 3.82 2.02 0.38 assign (resid 16 and name HA ) (resid 16 and name HG1 ) 3.82 2.02 0.38 assign (resid 18 and name HA ) (resid 18 and name HG2 ) 4.10 2.30 0.41 assign (resid 21 and name HA ) (resid 21 and name HG1* ) 3.17 1.37 0.32 assign (resid 21 and name HG2* ) (resid 22 and name HA ) 3.89 2.09 0.39 assign (resid 22 and name HA ) (resid 22 and name HG2* ) 3.83 2.03 0.38 assign (resid 23 and name HA ) (resid 23 and name HG2* ) 3.33 1.53 0.33 assign (resid 25 and name HA ) (resid 25 and name HG2 ) 3.91 2.11 0.39 assign (resid 30 and name HG2 ) (resid 31 and name HA ) 4.39 2.59 0.44 assign (resid 27 and name HA ) (resid 27 and name HG2 ) 3.62 1.82 0.36 assign (resid 29 and name HA ) (resid 29 and name HG2 ) 3.98 2.18 0.40 assign (resid 30 and name HA ) (resid 30 and name HG2 ) 3.57 1.77 0.36 assign (resid 32 and name HA ) (resid 32 and name HG2 ) 4.01 2.21 0.40 assign (resid 34 and name HA ) (resid 34 and name HG1 ) 3.84 2.04 0.38 assign (resid 36 and name HA ) (resid 36 and name HG2 ) 3.99 2.19 0.40 assign (resid 39 and name HA ) (resid 39 and name HG2 ) 4.01 2.21 0.40 assign (resid 6 and name HA ) (resid 6 and name HG1 ) 3.65 1.85 0.37 assign (resid 12 and name HA ) (resid 12 and name HG1 ) 3.65 1.85 0.37 assign (resid 16 and name HA ) (resid 16 and name HG2 ) 3.63 1.83 0.36 assign (resid 18 and name HA ) (resid 18 and name HG1 ) 4.10 2.30 0.41 assign (resid 27 and name HA ) (resid 30 and name HB1 ) 3.71 1.91 0.37 assign (resid 25 and name HA ) (resid 25 and name HG1 ) 3.91 2.11 0.39 assign (resid 27 and name HA ) (resid 27 and name HG1 ) 3.62 1.82 0.36 assign (resid 30 and name HA ) (resid 30 and name HG1 ) 4.02 2.22 0.40 assign (resid 32 and name HA ) (resid 32 and name HG1 ) 4.01 2.21 0.40 assign (resid 39 and name HA ) (resid 39 and name HG1 ) 4.01 2.21 0.40 assign (resid 13 and name HA ) (resid 13 and name HG ) 4.07 2.27 0.41 assign (resid 13 and name HA ) (resid 16 and name HG1 ) 4.41 2.61 0.44 assign (resid 22 and name HA ) (resid 22 and name HD1* ) 3.72 1.92 0.37 assign (resid 33 and name HA ) (resid 33 and name HD1* ) 4.03 2.23 0.40 assign (resid 38 and name HA ) (resid 38 and name HD1* ) 4.02 2.22 0.40 assign (resid 9 and name HA ) (resid 9 and name HD2 ) 3.82 2.02 0.38 assign (resid 34 and name HA ) (resid 34 and name HD2 ) 4.76 2.96 0.48 assign (resid 37 and name HA ) (resid 37 and name HD* ) 3.95 2.15 0.40 assign (resid 41 and name HA ) (resid 41 and name HD* ) 4.09 2.29 0.41 assign (resid 6 and name HA ) (resid 6 and name HD1 ) 4.12 2.32 0.41 assign (resid 16 and name HA ) (resid 19 and name HB* ) 3.25 1.45 0.33 assign (resid 32 and name HA ) (resid 32 and name HD* ) 4.23 2.43 0.42 assign (resid 34 and name HA ) (resid 34 and name HD1 ) 4.76 2.96 0.48 assign (resid 42 and name HA ) (resid 42 and name HD* ) 4.44 2.64 0.44 assign (resid 2 and name HA ) (resid 2 and name HG11 ) 3.57 1.77 0.36 assign (resid 7 and name HA ) (resid 7 and name HG11 ) 4.00 2.20 0.40 assign (resid 10 and name HA ) (resid 10 and name HG11 ) 3.69 1.89 0.37 assign (resid 10 and name HA ) (resid 13 and name HB2 ) 4.13 2.33 0.41 assign (resid 22 and name HA ) (resid 22 and name HG12 ) 3.60 1.80 0.36 assign (resid 2 and name HA ) (resid 2 and name HG12 ) 3.72 1.92 0.37 assign (resid 7 and name HA ) (resid 7 and name HG12 ) 3.70 1.90 0.37 assign (resid 10 and name HA ) (resid 10 and name HG12 ) 3.37 1.57 0.34 assign (resid 22 and name HA ) (resid 22 and name HG11 ) 3.60 1.80 0.36 assign (resid 6 and name HA ) (resid 6 and name HE2 ) 5.50 3.70 0.55 assign (resid 6 and name HA ) (resid 6 and name HE1 ) 5.50 3.70 0.55 assign (resid 32 and name HA ) (resid 32 and name HE* ) 5.50 3.70 0.55 assign (resid 39 and name HA ) (resid 39 and name HE2 ) 5.50 3.70 0.55 assign (resid 39 and name HA ) (resid 39 and name HE1 ) 5.50 3.70 0.55 assign (resid 15 and name HN ) (resid 15 and name HB* ) 3.06 1.26 0.31 assign (resid 36 and name HN ) (resid 36 and name HB2 ) 4.04 2.24 0.40 assign (resid 46 and name HB2 ) (resid 47 and name HN ) 5.50 3.70 0.55 assign (resid 35 and name HA ) (resid 38 and name HB2 ) 3.87 2.07 0.39 assign (resid 13 and name HA ) (resid 16 and name HB2 ) 3.56 1.76 0.36 assign (resid 30 and name HB2 ) (resid 30 and name HG1 ) 2.66 0.86 0.27 assign (resid 7 and name HB ) (resid 7 and name HD1* ) 3.33 1.53 0.33 assign (resid 22 and name HB ) (resid 22 and name HD1* ) 3.51 1.71 0.35 assign (resid 33 and name HB2 ) (resid 33 and name HD2* ) 3.63 1.83 0.36 assign (resid 34 and name HB2 ) (resid 34 and name HD2 ) 4.08 2.28 0.41 assign (resid 38 and name HB2 ) (resid 38 and name HD2* ) 3.50 1.70 0.35 assign (resid 34 and name HB1 ) (resid 34 and name HD1 ) 4.21 2.41 0.42 assign (resid 7 and name HG2* ) (resid 10 and name HB ) 4.45 2.65 0.44 assign (resid 33 and name HN ) (resid 33 and name HG ) 3.96 2.16 0.40 assign (resid 38 and name HN ) (resid 38 and name HG ) 3.94 2.14 0.39 assign (resid 35 and name HA ) (resid 35 and name HG2 ) 4.07 2.27 0.41 assign (resid 29 and name HA ) (resid 29 and name HG1 ) 3.98 2.18 0.40 assign (resid 34 and name HA ) (resid 34 and name HG2 ) 4.12 2.32 0.41 assign (resid 35 and name HA ) (resid 35 and name HG1 ) 4.07 2.27 0.41 assign (resid 36 and name HA ) (resid 36 and name HG1 ) 3.99 2.19 0.40 assign (resid 24 and name HG2 ) (resid 25 and name HN ) 5.50 3.70 0.55 assign (resid 27 and name HN ) (resid 27 and name HG2 ) 4.23 2.43 0.42 assign (resid 29 and name HN ) (resid 29 and name HG2 ) 4.74 2.94 0.47 assign (resid 30 and name HN ) (resid 30 and name HG2 ) 4.74 2.94 0.47 assign (resid 31 and name HN ) (resid 31 and name HG2 ) 4.73 2.93 0.47 assign (resid 9 and name HN ) (resid 9 and name HG1 ) 5.47 3.67 0.55 assign (resid 29 and name HN ) (resid 29 and name HG1 ) 4.74 2.94 0.47 assign (resid 31 and name HN ) (resid 31 and name HG1 ) 4.73 2.93 0.47 assign (resid 36 and name HN ) (resid 36 and name HG1 ) 4.28 2.48 0.43 assign (resid 30 and name HB1 ) (resid 30 and name HG2 ) 2.77 0.97 0.28 assign (resid 10 and name HG12 ) (resid 33 and name HB1 ) 3.86 2.06 0.39 assign (resid 38 and name HB1 ) (resid 38 and name HD1* ) 3.33 1.53 0.33 assign (resid 7 and name HG2* ) (resid 7 and name HG11 ) 3.40 1.60 0.34 assign (resid 7 and name HG2* ) (resid 7 and name HG12 ) 3.41 1.61 0.34 assign (resid 34 and name HN ) (resid 34 and name HB1 ) 3.84 2.04 0.38 assign (resid 46 and name HB1 ) (resid 47 and name HN ) 5.50 3.70 0.55 assign (resid 34 and name HB1 ) (resid 34 and name HD2 ) 4.21 2.41 0.42 assign (resid 38 and name HB1 ) (resid 38 and name HD2* ) 3.47 1.67 0.35 assign (resid 32 and name HB1 ) (resid 32 and name HD* ) 3.38 1.58 0.34 assign (resid 32 and name HB2 ) (resid 32 and name HD* ) 3.38 1.58 0.34 assign (resid 34 and name HB2 ) (resid 34 and name HD1 ) 4.08 2.28 0.41 assign (resid 16 and name HG1 ) (resid 16 and name HE2 ) 4.19 2.39 0.42 assign (resid 16 and name HG2 ) (resid 16 and name HE2 ) 4.22 2.42 0.42 assign (resid 16 and name HG1 ) (resid 16 and name HE1 ) 4.19 2.39 0.42 assign (resid 18 and name HG2 ) (resid 18 and name HE* ) 3.81 2.01 0.38 assign (resid 32 and name HG2 ) (resid 32 and name HE* ) 3.83 2.03 0.38 assign (resid 16 and name HG2 ) (resid 16 and name HE1 ) 4.22 2.42 0.42 assign (resid 18 and name HG1 ) (resid 18 and name HE* ) 3.81 2.01 0.38 assign (resid 32 and name HG1 ) (resid 32 and name HE* ) 3.83 2.03 0.38 assign (resid 33 and name HB2 ) (resid 33 and name HD1* ) 3.23 1.43 0.32 assign (resid 38 and name HB2 ) (resid 38 and name HD1* ) 3.27 1.47 0.33 assign (resid 13 and name HD2* ) (resid 26 and name HB1 ) 3.95 2.15 0.40 assign (resid 13 and name HB2 ) (resid 13 and name HD1* ) 3.56 1.76 0.36 assign (resid 13 and name HB2 ) (resid 13 and name HD2* ) 3.65 1.85 0.37 assign (resid 13 and name HB1 ) (resid 13 and name HD1* ) 3.68 1.88 0.37 assign (resid 33 and name HB1 ) (resid 33 and name HD1* ) 3.68 1.88 0.37 assign (resid 13 and name HB1 ) (resid 13 and name HD2* ) 3.51 1.71 0.35 assign (resid 33 and name HB1 ) (resid 33 and name HD2* ) 3.37 1.57 0.34 assign (resid 18 and name HB2 ) (resid 18 and name HD* ) 3.49 1.69 0.35 assign (resid 18 and name HB1 ) (resid 18 and name HD* ) 3.72 1.92 0.37 assign (resid 27 and name HB1 ) (resid 27 and name HD* ) 3.37 1.57 0.34 assign (resid 42 and name HB1 ) (resid 42 and name HD* ) 4.12 2.32 0.41 assign (resid 27 and name HB2 ) (resid 27 and name HD* ) 3.38 1.58 0.34 assign (resid 42 and name HB2 ) (resid 42 and name HD* ) 4.12 2.32 0.41 assign (resid 2 and name HB ) (resid 2 and name HD1* ) 3.53 1.73 0.35 assign (resid 10 and name HB ) (resid 10 and name HD1* ) 3.51 1.71 0.35 assign (resid 2 and name HG2* ) (resid 2 and name HD1* ) 4.64 2.84 0.46 assign (resid 10 and name HG2* ) (resid 10 and name HD1* ) 3.28 1.48 0.33 assign (resid 7 and name HG2* ) (resid 7 and name HD1* ) 2.40 0.60 0.24 assign (resid 22 and name HG2* ) (resid 22 and name HD1* ) 2.40 0.60 0.24 assign (resid 21 and name HA ) (resid 21 and name HG2* ) 4.15 2.35 0.42 assign (resid 22 and name HN ) (resid 22 and name HG2* ) 3.42 1.62 0.34 assign (resid 2 and name HG2* ) (resid 2 and name HG11 ) 3.99 2.19 0.40 assign (resid 10 and name HG2* ) (resid 10 and name HG11 ) 3.79 1.99 0.38 assign (resid 22 and name HG2* ) (resid 22 and name HG12 ) 3.90 2.10 0.39 assign (resid 2 and name HG2* ) (resid 2 and name HG12 ) 3.70 1.90 0.37 assign (resid 10 and name HG2* ) (resid 10 and name HG12 ) 3.33 1.53 0.33 assign (resid 22 and name HG2* ) (resid 22 and name HG11 ) 3.90 2.10 0.39 assign (resid 6 and name HB1 ) (resid 7 and name HN ) 4.48 2.68 0.45 assign (resid 9 and name HB1 ) (resid 10 and name HN ) 4.23 2.43 0.42 assign (resid 16 and name HB1 ) (resid 17 and name HN ) 4.84 3.04 0.48 assign (resid 18 and name HB2 ) (resid 19 and name HN ) 3.94 2.14 0.39 assign (resid 18 and name HB1 ) (resid 19 and name HN ) 4.25 2.45 0.43 assign (resid 27 and name HB1 ) (resid 28 and name HN ) 4.26 2.46 0.43 assign (resid 29 and name HB1 ) (resid 30 and name HN ) 4.03 2.23 0.40 assign (resid 34 and name HB1 ) (resid 35 and name HN ) 4.19 2.39 0.42 assign (resid 38 and name HB1 ) (resid 39 and name HN ) 4.86 3.06 0.49 assign (resid 24 and name HB1 ) (resid 25 and name HN ) 3.86 2.06 0.39 assign (resid 33 and name HB2 ) (resid 34 and name HN ) 4.40 2.60 0.44 assign (resid 22 and name HB ) (resid 23 and name HN ) 4.96 3.16 0.50 assign (resid 29 and name HG2 ) (resid 30 and name HN ) 5.50 3.70 0.55 assign (resid 30 and name HG2 ) (resid 31 and name HN ) 5.06 3.26 0.51 assign (resid 12 and name HG1 ) (resid 13 and name HN ) 5.50 3.70 0.55 assign (resid 24 and name HG1 ) (resid 25 and name HN ) 5.50 3.70 0.55 assign (resid 29 and name HG1 ) (resid 30 and name HN ) 5.50 3.70 0.55 assign (resid 30 and name HG1 ) (resid 31 and name HN ) 5.03 3.23 0.50 assign (resid 36 and name HG1 ) (resid 37 and name HN ) 5.44 3.64 0.54 assign (resid 2 and name HA ) (resid 2 and name HD1* ) 4.48 2.68 0.45 assign (resid 7 and name HA ) (resid 7 and name HD1* ) 3.97 2.17 0.40 assign (resid 10 and name HA ) (resid 10 and name HD1* ) 3.95 2.15 0.40 assign (resid 13 and name HA ) (resid 13 and name HD1* ) 4.70 2.90 0.47 assign (resid 13 and name HD1* ) (resid 27 and name HA ) 5.04 3.24 0.50 assign (resid 35 and name HA ) (resid 38 and name HD1* ) 3.91 2.11 0.39 assign (resid 47 and name HA ) (resid 47 and name HD1* ) 4.67 2.87 0.47 assign (resid 13 and name HA ) (resid 13 and name HD2* ) 3.22 1.42 0.32 assign (resid 33 and name HA ) (resid 33 and name HD2* ) 3.18 1.38 0.32 assign (resid 38 and name HA ) (resid 38 and name HD2* ) 3.21 1.41 0.32 assign (resid 47 and name HA ) (resid 47 and name HD2* ) 4.67 2.87 0.47 assign (resid 37 and name HD* ) (resid 38 and name HG ) 4.55 2.75 0.46 assign (resid 2 and name HG11 ) (resid 37 and name HD* ) 5.50 3.70 0.55 assign (resid 34 and name HG2 ) (resid 37 and name HD* ) 5.50 3.70 0.55 assign (resid 2 and name HG12 ) (resid 37 and name HD* ) 5.11 3.31 0.51 assign (resid 2 and name HD1* ) (resid 37 and name HD* ) 4.26 2.46 0.43 assign (resid 2 and name HG2* ) (resid 37 and name HD* ) 4.68 2.88 0.47 assign (resid 38 and name HD2* ) (resid 41 and name HD* ) 5.44 3.64 0.54 assign (resid 37 and name HE* ) (resid 38 and name HG ) 5.50 3.70 0.55 assign (resid 7 and name HG12 ) (resid 37 and name HE* ) 5.40 3.60 0.54 assign (resid 7 and name HG2* ) (resid 37 and name HE* ) 4.72 2.92 0.47 assign (resid 10 and name HA ) (resid 30 and name HG2 ) 5.46 3.66 0.55 assign (resid 10 and name HA ) (resid 30 and name HG1 ) 5.44 3.64 0.54 assign (resid 9 and name HG1 ) (resid 10 and name HA ) 5.21 3.41 0.52 assign (resid 10 and name HA ) (resid 33 and name HB1 ) 5.18 3.38 0.52 assign (resid 3 and name HB1 ) (resid 6 and name HD2 ) 5.50 3.70 0.55 assign (resid 3 and name HB2 ) (resid 6 and name HD2 ) 5.50 3.70 0.55 assign (resid 3 and name HB2 ) (resid 5 and name HB* ) 5.11 3.31 0.51 assign (resid 3 and name HB1 ) (resid 5 and name HB* ) 5.11 3.31 0.51 assign (resid 7 and name HA ) (resid 11 and name HN ) 5.18 3.38 0.52 assign (resid 7 and name HA ) (resid 10 and name HB ) 3.60 1.80 0.36 assign (resid 22 and name HA ) (resid 26 and name HB2 ) 4.86 3.06 0.49 assign (resid 2 and name HG11 ) (resid 37 and name HA ) 5.09 3.29 0.51 assign (resid 2 and name HB ) (resid 37 and name HA ) 4.69 2.89 0.47 assign (resid 36 and name HB1 ) (resid 37 and name HA ) 5.29 3.49 0.53 assign (resid 36 and name HB2 ) (resid 37 and name HA ) 5.29 3.49 0.53 assign (resid 10 and name HD1* ) (resid 37 and name HA ) 5.23 3.43 0.52 assign (resid 27 and name HA ) (resid 29 and name HN ) 5.06 3.26 0.51 assign (resid 34 and name HA ) (resid 37 and name HB2 ) 4.02 2.22 0.40 assign (resid 34 and name HA ) (resid 37 and name HB1 ) 3.68 1.88 0.37 assign (resid 10 and name HD1* ) (resid 34 and name HA ) 4.21 2.41 0.42 assign (resid 30 and name HA ) (resid 33 and name HB2 ) 3.83 2.03 0.38 assign (resid 30 and name HA ) (resid 33 and name HB1 ) 4.57 2.77 0.46 assign (resid 13 and name HB1 ) (resid 30 and name HA ) 5.31 3.51 0.53 assign (resid 30 and name HA ) (resid 33 and name HD1* ) 3.88 2.08 0.39 assign (resid 13 and name HD1* ) (resid 30 and name HA ) 3.53 1.73 0.35 assign (resid 6 and name HA ) (resid 33 and name HD1* ) 4.75 2.95 0.47 assign (resid 6 and name HA ) (resid 33 and name HD2* ) 4.89 3.09 0.49 assign (resid 13 and name HD1* ) (resid 26 and name HA ) 4.32 2.52 0.43 assign (resid 31 and name HA ) (resid 34 and name HD2 ) 4.77 2.97 0.48 assign (resid 38 and name HD2* ) (resid 41 and name HA ) 5.50 3.70 0.55 assign (resid 13 and name HA ) (resid 17 and name HN ) 5.13 3.33 0.51 assign (resid 13 and name HA ) (resid 16 and name HG2 ) 4.81 3.01 0.48 assign (resid 9 and name HA ) (resid 12 and name HG2 ) 4.83 3.03 0.48 assign (resid 9 and name HA ) (resid 12 and name HB1 ) 4.07 2.27 0.41 assign (resid 9 and name HA ) (resid 33 and name HD1* ) 5.13 3.33 0.51 assign (resid 9 and name HA ) (resid 13 and name HD1* ) 5.42 3.62 0.54 assign (resid 9 and name HA ) (resid 13 and name HD2* ) 5.50 3.70 0.55 assign (resid 38 and name HA ) (resid 41 and name HD* ) 4.66 2.86 0.47 assign (resid 37 and name HD* ) (resid 38 and name HA ) 4.82 3.02 0.48 assign (resid 37 and name HB1 ) (resid 38 and name HA ) 5.36 3.56 0.54 assign (resid 38 and name HA ) (resid 41 and name HB1 ) 4.75 2.95 0.47 assign (resid 16 and name HA ) (resid 21 and name HG2* ) 3.36 1.56 0.34 assign (resid 34 and name HA ) (resid 38 and name HN ) 4.85 3.05 0.48 assign (resid 11 and name HA ) (resid 14 and name HB* ) 3.39 1.59 0.34 assign (resid 10 and name HG2* ) (resid 11 and name HA ) 4.19 2.39 0.42 assign (resid 4 and name HA ) (resid 7 and name HB ) 3.60 1.80 0.36 assign (resid 4 and name HA ) (resid 7 and name HG11 ) 4.56 2.76 0.46 assign (resid 4 and name HA ) (resid 7 and name HG12 ) 4.97 3.17 0.50 assign (resid 4 and name HA ) (resid 7 and name HD1* ) 3.78 1.98 0.38 assign (resid 15 and name HA ) (resid 18 and name HB2 ) 3.81 2.01 0.38 assign (resid 15 and name HA ) (resid 18 and name HB1 ) 4.33 2.53 0.43 assign (resid 15 and name HA ) (resid 18 and name HD* ) 4.47 2.67 0.45 assign (resid 8 and name HA ) (resid 11 and name HB2 ) 3.86 2.06 0.39 assign (resid 8 and name HA ) (resid 11 and name HB1 ) 4.45 2.65 0.44 assign (resid 7 and name HG2* ) (resid 8 and name HA ) 4.16 2.36 0.42 assign (resid 28 and name HA ) (resid 31 and name HN ) 4.03 2.23 0.40 assign (resid 27 and name HB2 ) (resid 28 and name HA ) 4.81 3.01 0.48 assign (resid 17 and name HA ) (resid 19 and name HN ) 5.06 3.26 0.51 assign (resid 17 and name HA ) (resid 22 and name HN ) 4.26 2.46 0.43 assign (resid 17 and name HA ) (resid 22 and name HB ) 3.70 1.90 0.37 assign (resid 17 and name HA ) (resid 22 and name HG2* ) 3.24 1.44 0.32 assign (resid 4 and name HB* ) (resid 5 and name HA ) 4.57 2.77 0.46 assign (resid 18 and name HB2 ) (resid 19 and name HA ) 5.34 3.54 0.53 assign (resid 19 and name HA ) (resid 21 and name HG1* ) 4.77 2.97 0.48 assign (resid 17 and name HB* ) (resid 20 and name HA2 ) 5.50 3.70 0.55 assign (resid 19 and name HB* ) (resid 20 and name HA2 ) 5.50 3.70 0.55 assign (resid 19 and name HB* ) (resid 20 and name HA1 ) 5.01 3.21 0.50 assign (resid 20 and name HA2 ) (resid 22 and name HG2* ) 4.76 2.96 0.48 assign (resid 20 and name HA1 ) (resid 21 and name HG1* ) 4.50 2.70 0.45 assign (resid 20 and name HA1 ) (resid 21 and name HA ) 5.46 3.66 0.55 assign (resid 20 and name HA2 ) (resid 21 and name HA ) 5.50 3.70 0.55 assign (resid 30 and name HG1 ) (resid 34 and name HD1 ) 5.19 3.39 0.52 assign (resid 10 and name HG12 ) (resid 34 and name HD2 ) 5.50 3.70 0.55 assign (resid 10 and name HG12 ) (resid 34 and name HD1 ) 5.50 3.70 0.55 assign (resid 10 and name HG2* ) (resid 34 and name HD2 ) 5.26 3.46 0.53 assign (resid 10 and name HG2* ) (resid 34 and name HD1 ) 5.26 3.46 0.53 assign (resid 31 and name HA ) (resid 34 and name HD1 ) 4.77 2.97 0.48 assign (resid 9 and name HA ) (resid 9 and name HD1 ) 3.82 2.02 0.38 assign (resid 18 and name HB2 ) (resid 18 and name HE* ) 3.96 2.16 0.40 assign (resid 18 and name HB1 ) (resid 18 and name HE* ) 4.27 2.47 0.43 assign (resid 12 and name HG1 ) (resid 16 and name HE2 ) 4.49 2.69 0.45 assign (resid 6 and name HE2 ) (resid 33 and name HD2* ) 4.47 2.67 0.45 assign (resid 16 and name HE2 ) (resid 21 and name HG2* ) 4.49 2.69 0.45 assign (resid 15 and name HA ) (resid 18 and name HE* ) 4.02 2.22 0.40 assign (resid 12 and name HG2 ) (resid 16 and name HE2 ) 4.83 3.03 0.48 assign (resid 12 and name HG1 ) (resid 16 and name HE1 ) 4.49 2.69 0.45 assign (resid 16 and name HB2 ) (resid 16 and name HE1 ) 5.36 3.56 0.54 assign (resid 10 and name HA ) (resid 13 and name HB1 ) 5.02 3.22 0.50 assign (resid 13 and name HB2 ) (resid 30 and name HG2 ) 5.07 3.27 0.51 assign (resid 13 and name HB2 ) (resid 30 and name HB2 ) 4.73 2.93 0.47 assign (resid 13 and name HB2 ) (resid 14 and name HB* ) 5.13 3.33 0.51 assign (resid 13 and name HB1 ) (resid 30 and name HB1 ) 4.80 3.00 0.48 assign (resid 13 and name HB1 ) (resid 30 and name HB2 ) 4.49 2.69 0.45 assign (resid 16 and name HB2 ) (resid 22 and name HB ) 4.42 2.62 0.44 assign (resid 17 and name HB* ) (resid 22 and name HB ) 4.55 2.75 0.46 assign (resid 38 and name HA ) (resid 41 and name HB2 ) 4.75 2.95 0.47 assign (resid 38 and name HG ) (resid 41 and name HB1 ) 5.50 3.70 0.55 assign (resid 38 and name HB1 ) (resid 41 and name HB1 ) 5.50 3.70 0.55 assign (resid 38 and name HB1 ) (resid 41 and name HB2 ) 5.50 3.70 0.55 assign (resid 38 and name HD2* ) (resid 41 and name HB1 ) 5.14 3.34 0.51 assign (resid 38 and name HD2* ) (resid 41 and name HB2 ) 5.14 3.34 0.51 assign (resid 2 and name HB ) (resid 6 and name HD2 ) 4.42 2.62 0.44 assign (resid 37 and name HB1 ) (resid 38 and name HG ) 4.88 3.08 0.49 assign (resid 10 and name HG11 ) (resid 37 and name HB2 ) 5.50 3.70 0.55 assign (resid 34 and name HG2 ) (resid 37 and name HB1 ) 5.50 3.70 0.55 assign (resid 34 and name HB1 ) (resid 37 and name HB1 ) 5.14 3.34 0.51 assign (resid 2 and name HB ) (resid 37 and name HB2 ) 5.50 3.70 0.55 assign (resid 34 and name HB1 ) (resid 37 and name HB2 ) 5.50 3.70 0.55 assign (resid 2 and name HD1* ) (resid 37 and name HB1 ) 4.61 2.81 0.46 assign (resid 10 and name HG12 ) (resid 37 and name HB2 ) 5.25 3.45 0.53 assign (resid 37 and name HB1 ) (resid 38 and name HD1* ) 4.92 3.12 0.49 assign (resid 4 and name HB* ) (resid 7 and name HB ) 4.67 2.87 0.47 assign (resid 4 and name HB* ) (resid 5 and name HB* ) 4.90 3.10 0.49 assign (resid 4 and name HB* ) (resid 8 and name HB* ) 5.44 3.64 0.54 assign (resid 4 and name HB* ) (resid 7 and name HD1* ) 4.71 2.91 0.47 assign (resid 11 and name HB2 ) (resid 14 and name HB* ) 5.14 3.34 0.51 assign (resid 7 and name HG2* ) (resid 11 and name HB2 ) 5.43 3.63 0.54 assign (resid 7 and name HG2* ) (resid 11 and name HB1 ) 5.25 3.45 0.53 assign (resid 7 and name HB ) (resid 8 and name HA ) 5.33 3.53 0.53 assign (resid 7 and name HB ) (resid 8 and name HB* ) 4.84 3.04 0.48 assign (resid 23 and name HG2* ) (resid 26 and name HG2 ) 5.40 3.60 0.54 assign (resid 23 and name HG2* ) (resid 26 and name HG1 ) 5.40 3.60 0.54 assign (resid 13 and name HD2* ) (resid 26 and name HG2 ) 4.39 2.59 0.44 assign (resid 13 and name HD2* ) (resid 26 and name HG1 ) 4.39 2.59 0.44 assign (resid 25 and name HG1 ) (resid 28 and name HB* ) 5.21 3.41 0.52 assign (resid 25 and name HG2 ) (resid 28 and name HB* ) 5.21 3.41 0.52 assign (resid 6 and name HD1 ) (resid 36 and name HG2 ) 5.37 3.57 0.54 assign (resid 24 and name HG2 ) (resid 27 and name HD* ) 5.50 3.70 0.55 assign (resid 12 and name HG2 ) (resid 16 and name HD2 ) 5.50 3.70 0.55 assign (resid 24 and name HG1 ) (resid 27 and name HD* ) 5.50 3.70 0.55 assign (resid 23 and name HG2* ) (resid 24 and name HG2 ) 5.50 3.70 0.55 assign (resid 23 and name HG2* ) (resid 24 and name HG1 ) 5.50 3.70 0.55 assign (resid 6 and name HD1 ) (resid 36 and name HG1 ) 5.37 3.57 0.54 assign (resid 33 and name HD2* ) (resid 36 and name HG1 ) 4.93 3.13 0.49 assign (resid 2 and name HD1* ) (resid 36 and name HG1 ) 5.41 3.61 0.54 assign (resid 33 and name HD2* ) (resid 36 and name HG2 ) 4.93 3.13 0.49 assign (resid 2 and name HD1* ) (resid 36 and name HG2 ) 5.41 3.61 0.54 assign (resid 9 and name HA ) (resid 12 and name HG1 ) 5.50 3.70 0.55 assign (resid 12 and name HG1 ) (resid 16 and name HG1 ) 4.78 2.98 0.48 assign (resid 12 and name HG2 ) (resid 16 and name HG1 ) 5.50 3.70 0.55 assign (resid 12 and name HG2 ) (resid 16 and name HD1 ) 5.50 3.70 0.55 assign (resid 13 and name HD1* ) (resid 29 and name HG1 ) 4.35 2.55 0.44 assign (resid 29 and name HG1 ) (resid 33 and name HD1* ) 4.17 2.37 0.42 assign (resid 35 and name HG1 ) (resid 38 and name HD1* ) 5.50 3.70 0.55 assign (resid 35 and name HG2 ) (resid 38 and name HD1* ) 5.50 3.70 0.55 assign (resid 14 and name HA ) (resid 30 and name HG1 ) 5.50 3.70 0.55 assign (resid 30 and name HG1 ) (resid 31 and name HA ) 5.50 3.70 0.55 assign (resid 27 and name HA ) (resid 30 and name HG1 ) 5.50 3.70 0.55 assign (resid 27 and name HA ) (resid 30 and name HG2 ) 5.02 3.22 0.50 assign (resid 30 and name HG1 ) (resid 34 and name HD2 ) 5.19 3.39 0.52 assign (resid 30 and name HG2 ) (resid 34 and name HB2 ) 5.50 3.70 0.55 assign (resid 30 and name HG2 ) (resid 34 and name HG1 ) 5.16 3.36 0.52 assign (resid 13 and name HB2 ) (resid 30 and name HG1 ) 4.49 2.69 0.45 assign (resid 30 and name HG1 ) (resid 34 and name HG1 ) 5.01 3.21 0.50 assign (resid 17 and name HB* ) (resid 30 and name HG2 ) 5.50 3.70 0.55 assign (resid 30 and name HG2 ) (resid 34 and name HG2 ) 5.50 3.70 0.55 assign (resid 30 and name HG1 ) (resid 34 and name HG2 ) 5.50 3.70 0.55 assign (resid 13 and name HB1 ) (resid 30 and name HG2 ) 5.00 3.20 0.50 assign (resid 13 and name HB1 ) (resid 30 and name HG1 ) 5.21 3.41 0.52 assign (resid 10 and name HG12 ) (resid 30 and name HG1 ) 5.50 3.70 0.55 assign (resid 30 and name HG1 ) (resid 33 and name HD1* ) 5.50 3.70 0.55 assign (resid 10 and name HG2* ) (resid 30 and name HG2 ) 4.86 3.06 0.49 assign (resid 13 and name HD1* ) (resid 30 and name HG2 ) 5.21 3.41 0.52 assign (resid 10 and name HG2* ) (resid 30 and name HG1 ) 4.68 2.88 0.47 assign (resid 13 and name HD1* ) (resid 30 and name HG1 ) 4.99 3.19 0.50 assign (resid 10 and name HG12 ) (resid 30 and name HG2 ) 5.50 3.70 0.55 assign (resid 2 and name HD1* ) (resid 6 and name HB2 ) 4.31 2.51 0.43 assign (resid 16 and name HB2 ) (resid 22 and name HA ) 4.65 2.85 0.47 assign (resid 18 and name HB1 ) (resid 19 and name HA ) 4.74 2.94 0.47 assign (resid 16 and name HB2 ) (resid 16 and name HE2 ) 5.36 3.56 0.54 assign (resid 27 and name HB1 ) (resid 30 and name HB1 ) 4.56 2.76 0.46 assign (resid 22 and name HG2* ) (resid 27 and name HB2 ) 4.67 2.87 0.47 assign (resid 10 and name HG11 ) (resid 33 and name HB1 ) 4.33 2.53 0.43 assign (resid 22 and name HA ) (resid 26 and name HB1 ) 4.86 3.06 0.49 assign (resid 27 and name HN ) (resid 27 and name HD* ) 4.53 2.73 0.45 assign (resid 9 and name HD2 ) (resid 12 and name HB1 ) 5.30 3.50 0.53 assign (resid 9 and name HD2 ) (resid 12 and name HB2 ) 5.30 3.50 0.53 assign (resid 9 and name HD1 ) (resid 12 and name HB1 ) 5.30 3.50 0.53 assign (resid 9 and name HD1 ) (resid 12 and name HB2 ) 5.30 3.50 0.53 assign (resid 24 and name HA ) (resid 27 and name HD* ) 3.67 1.87 0.37 assign (resid 9 and name HB1 ) (resid 33 and name HD1* ) 4.24 2.44 0.42 assign (resid 10 and name HG2* ) (resid 34 and name HB2 ) 5.50 3.70 0.55 assign (resid 13 and name HD1* ) (resid 29 and name HB1 ) 4.31 2.51 0.43 assign (resid 23 and name HG2* ) (resid 24 and name HB2 ) 5.21 3.41 0.52 assign (resid 17 and name HB* ) (resid 30 and name HB2 ) 5.48 3.68 0.55 assign (resid 24 and name HB1 ) (resid 27 and name HD* ) 5.50 3.70 0.55 assign (resid 30 and name HB1 ) (resid 31 and name HA ) 5.04 3.24 0.50 assign (resid 18 and name HA ) (resid 18 and name HD* ) 3.87 2.07 0.39 assign (resid 29 and name HA ) (resid 32 and name HD* ) 3.97 2.17 0.40 assign (resid 2 and name HA ) (resid 6 and name HD1 ) 4.74 2.94 0.47 assign (resid 6 and name HD2 ) (resid 33 and name HD2* ) 4.26 2.46 0.43 assign (resid 2 and name HG12 ) (resid 37 and name HA ) 4.93 3.13 0.49 assign (resid 12 and name HG2 ) (resid 13 and name HG ) 5.46 3.66 0.55 assign (resid 9 and name HG1 ) (resid 33 and name HD1* ) 3.78 1.98 0.38 assign (resid 9 and name HG2 ) (resid 13 and name HD1* ) 4.51 2.71 0.45 assign (resid 9 and name HG2 ) (resid 33 and name HD1* ) 3.65 1.85 0.37 assign (resid 13 and name HD1* ) (resid 29 and name HG2 ) 4.35 2.55 0.44 assign (resid 13 and name HD1* ) (resid 29 and name HB2 ) 4.31 2.51 0.43 assign (resid 13 and name HD1* ) (resid 30 and name HB2 ) 3.56 1.76 0.36 assign (resid 9 and name HG1 ) (resid 13 and name HD1* ) 3.99 2.19 0.40 assign (resid 6 and name HD1 ) (resid 33 and name HD2* ) 3.92 2.12 0.39 assign (resid 6 and name HG2 ) (resid 33 and name HD2* ) 4.20 2.40 0.42 assign (resid 6 and name HE1 ) (resid 33 and name HD2* ) 4.47 2.67 0.45 assign (resid 13 and name HD2* ) (resid 26 and name HB2 ) 3.95 2.15 0.40 assign (resid 12 and name HG2 ) (resid 13 and name HD2* ) 4.69 2.89 0.47 assign (resid 13 and name HD2* ) (resid 16 and name HE2 ) 4.60 2.80 0.46 assign (resid 13 and name HD2* ) (resid 16 and name HE1 ) 4.60 2.80 0.46 assign (resid 13 and name HD2* ) (resid 26 and name HA ) 4.21 2.41 0.42 assign (resid 13 and name HN ) (resid 13 and name HD2* ) 4.31 2.51 0.43 assign (resid 16 and name HE1 ) (resid 21 and name HG2* ) 4.49 2.69 0.45 assign (resid 16 and name HG1 ) (resid 21 and name HG2* ) 4.00 2.20 0.40 assign (resid 16 and name HB1 ) (resid 21 and name HG2* ) 3.13 1.33 0.31 assign (resid 16 and name HG2 ) (resid 21 and name HG2* ) 3.57 1.77 0.36 assign (resid 16 and name HB2 ) (resid 21 and name HG2* ) 4.01 2.21 0.40 assign (resid 15 and name HB* ) (resid 18 and name HE* ) 4.18 2.38 0.42 assign (resid 11 and name HB1 ) (resid 14 and name HB* ) 4.49 2.69 0.45 assign (resid 7 and name HG2* ) (resid 8 and name HB* ) 4.36 2.56 0.44 assign (resid 17 and name HB* ) (resid 22 and name HG2* ) 3.22 1.42 0.32 assign (resid 4 and name HA ) (resid 7 and name HG2* ) 4.57 2.77 0.46 assign (resid 22 and name HG2* ) (resid 27 and name HE2 ) 4.35 2.55 0.44 assign (resid 22 and name HG2* ) (resid 23 and name HA ) 5.05 3.25 0.51 assign (resid 2 and name HD1* ) (resid 37 and name HB2 ) 3.99 2.19 0.40 assign (resid 2 and name HD1* ) (resid 37 and name HA ) 3.89 2.09 0.39 assign (resid 22 and name HD1* ) (resid 30 and name HB2 ) 4.08 2.28 0.41 assign (resid 16 and name HB2 ) (resid 22 and name HD1* ) 4.03 2.23 0.40 assign (resid 22 and name HD1* ) (resid 28 and name HN ) 5.50 3.70 0.55 assign (resid 10 and name HD1* ) (resid 33 and name HA ) 4.90 3.10 0.49 assign (resid 7 and name HA ) (resid 10 and name HD1* ) 3.59 1.79 0.36 assign (resid 10 and name HD1* ) (resid 37 and name HB1 ) 4.27 2.47 0.43 assign (resid 10 and name HD1* ) (resid 37 and name HB2 ) 3.84 2.04 0.38 assign (resid 10 and name HD1* ) (resid 33 and name HB1 ) 3.74 1.94 0.37 assign (resid 7 and name HD1* ) (resid 37 and name HE* ) 4.56 2.76 0.46 assign (resid 2 and name HD1* ) (resid 6 and name HB1 ) 4.31 2.51 0.43 assign (resid 22 and name HD1* ) (resid 27 and name HG1 ) 4.22 2.42 0.42 assign (resid 22 and name HD1* ) (resid 27 and name HG2 ) 4.22 2.42 0.42 assign (resid 6 and name HG1 ) (resid 33 and name HD2* ) 4.20 2.40 0.42 assign (resid 2 and name HD1* ) (resid 6 and name HG1 ) 4.85 3.05 0.48 assign (resid 2 and name HD1* ) (resid 6 and name HG2 ) 4.85 3.05 0.48 assign (resid 10 and name HG12 ) (resid 34 and name HG2 ) 4.11 2.31 0.41 assign (resid 10 and name HG12 ) (resid 34 and name HG1 ) 4.40 2.60 0.44 assign (resid 10 and name HG2* ) (resid 34 and name HG2 ) 4.84 3.04 0.48 assign (resid 10 and name HD1* ) (resid 34 and name HG1 ) 5.50 3.70 0.55 assign (resid 10 and name HG2* ) (resid 34 and name HG1 ) 5.33 3.53 0.53 assign (resid 10 and name HD1* ) (resid 34 and name HG2 ) 4.51 2.71 0.45 assign (resid 7 and name HG12 ) (resid 10 and name HD1* ) 4.56 2.76 0.46 assign (resid 10 and name HG2* ) (resid 14 and name HB* ) 4.02 2.22 0.40 assign (resid 16 and name HB1 ) (resid 22 and name HN ) 5.26 3.46 0.53 assign (resid 7 and name HG12 ) (resid 37 and name HD* ) 5.50 3.70 0.55 assign (resid 22 and name HG2* ) (resid 27 and name HG1 ) 3.83 2.03 0.38 assign (resid 16 and name HB2 ) (resid 22 and name HG2* ) 4.17 2.37 0.42 assign (resid 22 and name HG2* ) (resid 27 and name HG2 ) 3.83 2.03 0.38 assign (resid 22 and name HG2* ) (resid 27 and name HD* ) 3.78 1.98 0.38 assign (resid 10 and name HG2* ) (resid 14 and name HA ) 5.49 3.69 0.55 assign (resid 14 and name HA ) (resid 22 and name HD1* ) 5.50 3.70 0.55 assign (resid 14 and name HA ) (resid 17 and name HB* ) 3.14 1.34 0.31 assign (resid 17 and name HB* ) (resid 22 and name HD1* ) 3.43 1.63 0.34 assign (resid 31 and name HA ) (resid 34 and name HB1 ) 4.67 2.87 0.47 assign (resid 34 and name HB1 ) (resid 35 and name HA ) 5.12 3.32 0.51 assign (resid 31 and name HA ) (resid 34 and name HB2 ) 3.54 1.74 0.35 assign (resid 5 and name HA ) (resid 8 and name HN ) 4.09 2.29 0.41 assign (resid 10 and name HD1* ) (resid 37 and name HD* ) 4.37 2.57 0.44 assign (resid 37 and name HD* ) (resid 38 and name HD2* ) 4.33 2.53 0.43 assign (resid 9 and name HB2 ) (resid 33 and name HD1* ) 4.24 2.44 0.42 assign (resid 29 and name HG2 ) (resid 33 and name HD1* ) 4.17 2.37 0.42 assign (resid 22 and name HA ) (resid 23 and name HG2* ) 4.31 2.51 0.43 assign (resid 10 and name HD1* ) (resid 33 and name HB2 ) 4.51 2.71 0.45 assign (resid 10 and name HG2* ) (resid 33 and name HB1 ) 5.42 3.62 0.54 assign (resid 13 and name HD1* ) (resid 33 and name HB1 ) 5.50 3.70 0.55 assign (resid 10 and name HG2* ) (resid 33 and name HB2 ) 5.50 3.70 0.55 assign (resid 13 and name HD1* ) (resid 33 and name HB2 ) 5.50 3.70 0.55 assign (resid 37 and name HB2 ) (resid 38 and name HG ) 5.50 3.70 0.55 assign (resid 38 and name HG ) (resid 41 and name HB2 ) 5.50 3.70 0.55 assign (resid 16 and name HB1 ) (resid 22 and name HA ) 4.50 2.70 0.45 assign (resid 13 and name HA ) (resid 16 and name HB1 ) 4.52 2.72 0.45 assign (resid 9 and name HD2 ) (resid 13 and name HD1* ) 4.88 3.08 0.49 assign (resid 9 and name HD2 ) (resid 13 and name HD2* ) 5.33 3.53 0.53 assign (resid 9 and name HD1 ) (resid 13 and name HD1* ) 4.88 3.08 0.49 assign (resid 9 and name HD1 ) (resid 13 and name HD2* ) 5.33 3.53 0.53 assign (resid 19 and name HB* ) (resid 21 and name HG1* ) 3.55 1.75 0.35 assign (resid 34 and name HA ) (resid 37 and name HD* ) 5.08 3.28 0.51 assign (resid 29 and name HG1 ) (resid 33 and name HG ) 4.80 3.00 0.48 assign (resid 29 and name HG2 ) (resid 33 and name HG ) 4.80 3.00 0.48 assign (resid 25 and name HA ) (resid 28 and name HB* ) 2.97 1.17 0.30 assign (resid 31 and name HA ) (resid 34 and name HG2 ) 4.95 3.15 0.49 assign (resid 31 and name HA ) (resid 34 and name HG1 ) 4.86 3.06 0.49 assign (resid 2 and name HG2* ) (resid 36 and name HA ) 5.03 3.23 0.50 assign (resid 2 and name HG2* ) (resid 37 and name HA ) 4.16 2.36 0.42 assign (resid 5 and name HA ) (resid 8 and name HB* ) 3.16 1.36 0.32 assign (resid 22 and name HD1* ) (resid 27 and name HA ) 3.52 1.72 0.35 assign (resid 14 and name HA ) (resid 18 and name HN ) 5.13 3.33 0.51 assign (resid 30 and name HG2 ) (resid 34 and name HD2 ) 5.22 3.42 0.52 assign (resid 30 and name HG2 ) (resid 34 and name HD1 ) 5.22 3.42 0.52 assign (resid 12 and name HG2 ) (resid 16 and name HE1 ) 4.83 3.03 0.48 assign (resid 16 and name HB1 ) (resid 21 and name HB ) 5.11 3.31 0.51 assign (resid 19 and name HB* ) (resid 21 and name HB ) 4.73 2.93 0.47 assign (resid 18 and name HB2 ) (resid 19 and name HB* ) 5.18 3.38 0.52 assign (resid 18 and name HB1 ) (resid 19 and name HB* ) 5.50 3.70 0.55 assign (resid 13 and name HD1* ) (resid 30 and name HB1 ) 4.46 2.66 0.45 assign (resid 22 and name HD1* ) (resid 30 and name HB1 ) 4.90 3.10 0.49 assign (resid 9 and name HA ) (resid 12 and name HB2 ) 4.07 2.27 0.41 assign (resid 22 and name HG2* ) (resid 27 and name HE1 ) 4.35 2.55 0.44 assign (resid 10 and name HA ) (resid 13 and name HD1* ) 4.30 2.50 0.43 assign (resid 10 and name HA ) (resid 13 and name HG ) 4.90 3.10 0.49 assign (resid 13 and name HD2* ) (resid 30 and name HB2 ) 4.68 2.88 0.47 assign (resid 35 and name HA ) (resid 38 and name HN ) 4.02 2.22 0.40 assign (resid 46 and name HA ) (resid 47 and name HN ) 3.56 1.76 0.36 assign (resid 7 and name HN ) (resid 7 and name HB ) 3.22 1.42 0.32 assign (resid 8 and name HN ) (resid 8 and name HB* ) 2.96 1.16 0.30 assign (resid 10 and name HN ) (resid 10 and name HB ) 3.23 1.43 0.32 assign (resid 14 and name HN ) (resid 14 and name HB* ) 2.96 1.16 0.30 assign (resid 14 and name HB* ) (resid 15 and name HN ) 3.06 1.26 0.31 assign (resid 17 and name HN ) (resid 17 and name HB* ) 2.91 1.11 0.29 assign (resid 19 and name HN ) (resid 19 and name HB* ) 2.87 1.07 0.29 assign (resid 22 and name HN ) (resid 22 and name HB ) 3.25 1.45 0.33 assign (resid 28 and name HN ) (resid 28 and name HB* ) 2.94 1.14 0.29 assign (resid 6 and name HN ) (resid 6 and name HB2 ) 3.80 2.00 0.38 assign (resid 9 and name HN ) (resid 9 and name HB2 ) 3.43 1.63 0.34 assign (resid 11 and name HN ) (resid 11 and name HB2 ) 3.35 1.55 0.34 assign (resid 12 and name HN ) (resid 12 and name HB2 ) 3.27 1.47 0.33 assign (resid 13 and name HN ) (resid 13 and name HB2 ) 3.47 1.67 0.35 assign (resid 16 and name HN ) (resid 16 and name HB2 ) 3.38 1.58 0.34 assign (resid 24 and name HN ) (resid 24 and name HB1 ) 3.66 1.86 0.37 assign (resid 24 and name HB2 ) (resid 25 and name HN ) 3.34 1.54 0.33 assign (resid 25 and name HN ) (resid 25 and name HB2 ) 3.61 1.81 0.36 assign (resid 26 and name HN ) (resid 26 and name HB2 ) 3.81 2.01 0.38 assign (resid 27 and name HN ) (resid 27 and name HB2 ) 3.23 1.43 0.32 assign (resid 29 and name HN ) (resid 29 and name HB2 ) 3.35 1.55 0.34 assign (resid 30 and name HN ) (resid 30 and name HB1 ) 3.30 1.50 0.33 assign (resid 31 and name HN ) (resid 31 and name HB2 ) 3.39 1.59 0.34 assign (resid 31 and name HN ) (resid 31 and name HB1 ) 3.39 1.59 0.34 assign (resid 32 and name HN ) (resid 32 and name HB2 ) 3.24 1.44 0.32 assign (resid 34 and name HN ) (resid 34 and name HB2 ) 3.02 1.22 0.30 assign (resid 35 and name HN ) (resid 35 and name HB2 ) 3.73 1.93 0.37 assign (resid 35 and name HB1 ) (resid 36 and name HN ) 4.00 2.20 0.40 assign (resid 37 and name HN ) (resid 37 and name HB1 ) 3.47 1.67 0.35 assign (resid 38 and name HB2 ) (resid 39 and name HN ) 3.91 2.11 0.39 assign (resid 41 and name HN ) (resid 41 and name HB2 ) 3.98 2.18 0.40 assign (resid 6 and name HN ) (resid 6 and name HB1 ) 3.80 2.00 0.38 assign (resid 9 and name HN ) (resid 9 and name HB1 ) 3.43 1.63 0.34 assign (resid 11 and name HN ) (resid 11 and name HB1 ) 3.79 1.99 0.38 assign (resid 12 and name HN ) (resid 12 and name HB1 ) 3.27 1.47 0.33 assign (resid 13 and name HN ) (resid 13 and name HB1 ) 3.92 2.12 0.39 assign (resid 16 and name HN ) (resid 16 and name HB1 ) 3.60 1.80 0.36 assign (resid 18 and name HN ) (resid 18 and name HB2 ) 2.99 1.19 0.30 assign (resid 24 and name HN ) (resid 24 and name HB2 ) 3.22 1.42 0.32 assign (resid 25 and name HN ) (resid 25 and name HB1 ) 3.61 1.81 0.36 assign (resid 26 and name HN ) (resid 26 and name HB1 ) 3.81 2.01 0.38 assign (resid 27 and name HN ) (resid 27 and name HB1 ) 3.56 1.76 0.36 assign (resid 30 and name HN ) (resid 30 and name HB2 ) 3.27 1.47 0.33 assign (resid 32 and name HN ) (resid 32 and name HB1 ) 3.24 1.44 0.32 assign (resid 33 and name HN ) (resid 33 and name HB1 ) 3.91 2.11 0.39 assign (resid 35 and name HN ) (resid 35 and name HB1 ) 3.73 1.93 0.37 assign (resid 36 and name HN ) (resid 36 and name HB1 ) 4.04 2.24 0.40 assign (resid 37 and name HN ) (resid 37 and name HB2 ) 3.47 1.67 0.35 assign (resid 38 and name HN ) (resid 38 and name HB1 ) 3.78 1.98 0.38 assign (resid 41 and name HN ) (resid 41 and name HB1 ) 3.98 2.18 0.40 assign (resid 6 and name HN ) (resid 7 and name HN ) 2.58 0.78 0.26 assign (resid 8 and name HN ) (resid 9 and name HN ) 3.63 1.83 0.36 assign (resid 10 and name HN ) (resid 11 and name HN ) 3.60 1.80 0.36 assign (resid 13 and name HN ) (resid 14 and name HN ) 3.61 1.81 0.36 assign (resid 14 and name HN ) (resid 15 and name HN ) 3.47 1.67 0.35 assign (resid 16 and name HN ) (resid 17 and name HN ) 3.48 1.68 0.35 assign (resid 18 and name HN ) (resid 19 and name HN ) 3.29 1.49 0.33 assign (resid 19 and name HN ) (resid 20 and name HN ) 3.46 1.66 0.35 assign (resid 20 and name HN ) (resid 21 and name HN ) 3.23 1.43 0.32 assign (resid 22 and name HN ) (resid 23 and name HN ) 5.35 3.55 0.54 assign (resid 28 and name HN ) (resid 29 and name HN ) 3.37 1.57 0.34 assign (resid 29 and name HN ) (resid 30 and name HN ) 3.30 1.50 0.33 assign (resid 31 and name HN ) (resid 32 and name HN ) 3.38 1.58 0.34 assign (resid 33 and name HN ) (resid 34 and name HN ) 3.56 1.76 0.36 assign (resid 37 and name HN ) (resid 38 and name HN ) 3.77 1.97 0.38 assign (resid 38 and name HN ) (resid 39 and name HN ) 3.66 1.86 0.37 assign (resid 39 and name HN ) (resid 40 and name HN ) 4.63 2.83 0.46 assign (resid 14 and name HA ) (resid 17 and name HN ) 3.65 1.85 0.37 assign (resid 22 and name HA ) (resid 23 and name HN ) 3.17 1.37 0.32 assign (resid 23 and name HA ) (resid 24 and name HN ) 3.23 1.43 0.32 assign (resid 27 and name HA ) (resid 30 and name HN ) 4.03 2.23 0.40 assign (resid 34 and name HA ) (resid 37 and name HN ) 4.09 2.29 0.41 assign (resid 47 and name HA ) (resid 48 and name HN ) 3.49 1.69 0.35 assign (resid 13 and name HN ) (resid 13 and name HG ) 3.30 1.50 0.33 assign (resid 33 and name HN ) (resid 33 and name HB2 ) 3.08 1.28 0.31 assign (resid 38 and name HN ) (resid 38 and name HB2 ) 3.09 1.29 0.31 assign (resid 6 and name HN ) (resid 6 and name HG2 ) 3.92 2.12 0.39 assign (resid 7 and name HN ) (resid 7 and name HG2* ) 3.94 2.14 0.39 assign (resid 9 and name HN ) (resid 9 and name HG2 ) 4.87 3.07 0.49 assign (resid 10 and name HN ) (resid 10 and name HG2* ) 4.03 2.23 0.40 assign (resid 12 and name HN ) (resid 12 and name HG2 ) 4.53 2.73 0.45 assign (resid 16 and name HN ) (resid 16 and name HG1 ) 3.38 1.58 0.34 assign (resid 17 and name HB* ) (resid 18 and name HN ) 3.19 1.39 0.32 assign (resid 21 and name HG2* ) (resid 22 and name HN ) 3.24 1.44 0.32 assign (resid 23 and name HN ) (resid 23 and name HG2* ) 3.25 1.45 0.33 assign (resid 26 and name HN ) (resid 26 and name HG2 ) 3.62 1.82 0.36 assign (resid 29 and name HN ) (resid 30 and name HB1 ) 5.40 3.60 0.54 assign (resid 32 and name HN ) (resid 32 and name HG2 ) 4.55 2.75 0.46 assign (resid 34 and name HN ) (resid 34 and name HG1 ) 3.84 2.04 0.38 assign (resid 35 and name HN ) (resid 35 and name HG2 ) 4.14 2.34 0.41 assign (resid 36 and name HN ) (resid 36 and name HG2 ) 4.28 2.48 0.43 assign (resid 46 and name HN ) (resid 46 and name HG2 ) 5.48 3.68 0.55 assign (resid 48 and name HN ) (resid 48 and name HG2 ) 4.85 3.05 0.48 assign (resid 6 and name HN ) (resid 6 and name HG1 ) 3.92 2.12 0.39 assign (resid 8 and name HB* ) (resid 9 and name HN ) 3.38 1.58 0.34 assign (resid 12 and name HN ) (resid 12 and name HG1 ) 4.74 2.94 0.47 assign (resid 16 and name HN ) (resid 16 and name HG2 ) 3.81 2.01 0.38 assign (resid 24 and name HN ) (resid 24 and name HG2 ) 3.99 2.19 0.40 assign (resid 24 and name HN ) (resid 24 and name HG1 ) 3.99 2.19 0.40 assign (resid 26 and name HN ) (resid 26 and name HG1 ) 3.62 1.82 0.36 assign (resid 27 and name HN ) (resid 27 and name HG1 ) 4.23 2.43 0.42 assign (resid 29 and name HN ) (resid 29 and name HB1 ) 3.35 1.55 0.34 assign (resid 30 and name HN ) (resid 30 and name HG1 ) 4.53 2.73 0.45 assign (resid 32 and name HN ) (resid 32 and name HG1 ) 4.55 2.75 0.46 assign (resid 34 and name HN ) (resid 34 and name HG2 ) 4.40 2.60 0.44 assign (resid 35 and name HN ) (resid 35 and name HG1 ) 4.14 2.34 0.41 assign (resid 39 and name HN ) (resid 39 and name HG1 ) 4.41 2.61 0.44 assign (resid 46 and name HN ) (resid 46 and name HG1 ) 5.48 3.68 0.55 assign (resid 48 and name HN ) (resid 48 and name HG1 ) 4.85 3.05 0.48 assign (resid 7 and name HN ) (resid 7 and name HD1* ) 4.31 2.51 0.43 assign (resid 10 and name HN ) (resid 10 and name HD1* ) 4.08 2.28 0.41 assign (resid 13 and name HN ) (resid 13 and name HD1* ) 3.78 1.98 0.38 assign (resid 22 and name HN ) (resid 22 and name HD1* ) 4.47 2.67 0.45 assign (resid 33 and name HN ) (resid 33 and name HD1* ) 3.93 2.13 0.39 assign (resid 37 and name HN ) (resid 37 and name HD* ) 4.71 2.91 0.47 assign (resid 38 and name HN ) (resid 38 and name HD1* ) 3.95 2.15 0.40 assign (resid 41 and name HN ) (resid 41 and name HD* ) 5.03 3.23 0.50 assign (resid 47 and name HN ) (resid 47 and name HD1* ) 5.47 3.67 0.55 assign (resid 9 and name HN ) (resid 9 and name HD2 ) 5.39 3.59 0.54 assign (resid 33 and name HN ) (resid 33 and name HD2* ) 4.17 2.37 0.42 assign (resid 34 and name HN ) (resid 34 and name HD2 ) 5.20 3.40 0.52 assign (resid 38 and name HN ) (resid 38 and name HD2* ) 4.20 2.40 0.42 assign (resid 47 and name HN ) (resid 47 and name HD2* ) 5.47 3.67 0.55 assign (resid 6 and name HN ) (resid 7 and name HG11 ) 4.21 2.41 0.42 assign (resid 9 and name HN ) (resid 9 and name HD1 ) 5.39 3.59 0.54 assign (resid 15 and name HB* ) (resid 16 and name HN ) 3.10 1.30 0.31 assign (resid 18 and name HN ) (resid 18 and name HD* ) 4.73 2.93 0.47 assign (resid 32 and name HN ) (resid 32 and name HD* ) 4.73 2.93 0.47 assign (resid 34 and name HN ) (resid 34 and name HD1 ) 5.20 3.40 0.52 assign (resid 7 and name HN ) (resid 7 and name HG11 ) 3.37 1.57 0.34 assign (resid 10 and name HN ) (resid 10 and name HG11 ) 3.34 1.54 0.33 assign (resid 22 and name HN ) (resid 22 and name HG12 ) 4.62 2.82 0.46 assign (resid 7 and name HN ) (resid 7 and name HG12 ) 3.76 1.96 0.38 assign (resid 10 and name HN ) (resid 10 and name HG12 ) 3.81 2.01 0.38 assign (resid 10 and name HN ) (resid 33 and name HD1* ) 4.19 2.39 0.42 assign (resid 22 and name HN ) (resid 22 and name HG11 ) 4.62 2.82 0.46 assign (resid 21 and name HN ) (resid 21 and name HG2* ) 2.97 1.17 0.30 assign (resid 11 and name HB2 ) (resid 11 and name HD21 ) 3.93 2.13 0.39 assign (resid 11 and name HB2 ) (resid 11 and name HD22 ) 3.93 2.13 0.39 assign (resid 18 and name HN ) (resid 20 and name HN ) 4.78 2.98 0.48 assign (resid 23 and name HN ) (resid 26 and name HB2 ) 3.97 2.17 0.40 assign (resid 23 and name HN ) (resid 26 and name HG1 ) 4.77 2.97 0.48 assign (resid 22 and name HG12 ) (resid 23 and name HN ) 3.73 1.93 0.37 assign (resid 22 and name HG11 ) (resid 23 and name HN ) 3.73 1.93 0.37 assign (resid 22 and name HG2* ) (resid 23 and name HN ) 4.30 2.50 0.43 assign (resid 24 and name HN ) (resid 27 and name HD* ) 5.09 3.29 0.51 assign (resid 23 and name HG2* ) (resid 24 and name HN ) 4.09 2.29 0.41 assign (resid 23 and name HB ) (resid 24 and name HN ) 2.99 1.19 0.30 assign (resid 24 and name HN ) (resid 25 and name HN ) 4.02 2.22 0.40 assign (resid 25 and name HN ) (resid 28 and name HB* ) 5.14 3.34 0.51 assign (resid 23 and name HG2* ) (resid 25 and name HN ) 4.74 2.94 0.47 assign (resid 23 and name HA ) (resid 25 and name HN ) 4.69 2.89 0.47 assign (resid 25 and name HN ) (resid 26 and name HN ) 3.60 1.80 0.36 assign (resid 30 and name HN ) (resid 31 and name HN ) 3.35 1.55 0.34 assign (resid 26 and name HA ) (resid 30 and name HN ) 4.67 2.87 0.47 assign (resid 13 and name HB2 ) (resid 30 and name HN ) 5.50 3.70 0.55 assign (resid 30 and name HN ) (resid 33 and name HB2 ) 5.50 3.70 0.55 assign (resid 28 and name HB* ) (resid 30 and name HN ) 5.06 3.26 0.51 assign (resid 30 and name HN ) (resid 33 and name HD1* ) 5.06 3.26 0.51 assign (resid 13 and name HD1* ) (resid 30 and name HN ) 3.68 1.88 0.37 assign (resid 13 and name HN ) (resid 14 and name HB* ) 4.39 2.59 0.44 assign (resid 12 and name HB2 ) (resid 13 and name HN ) 4.03 2.23 0.40 assign (resid 12 and name HB1 ) (resid 13 and name HN ) 4.03 2.23 0.40 assign (resid 12 and name HG2 ) (resid 13 and name HN ) 4.63 2.83 0.46 assign (resid 10 and name HA ) (resid 13 and name HN ) 4.46 2.66 0.45 assign (resid 9 and name HA ) (resid 13 and name HN ) 4.88 3.08 0.49 assign (resid 23 and name HN ) (resid 27 and name HN ) 4.85 3.05 0.48 assign (resid 25 and name HN ) (resid 27 and name HN ) 4.93 3.13 0.49 assign (resid 27 and name HN ) (resid 28 and name HN ) 3.46 1.66 0.35 assign (resid 22 and name HD1* ) (resid 27 and name HN ) 4.14 2.34 0.41 assign (resid 29 and name HA ) (resid 33 and name HN ) 4.83 3.03 0.48 assign (resid 30 and name HA ) (resid 33 and name HN ) 4.37 2.57 0.44 assign (resid 30 and name HG1 ) (resid 33 and name HN ) 5.50 3.70 0.55 assign (resid 36 and name HG2 ) (resid 37 and name HN ) 5.44 3.64 0.54 assign (resid 36 and name HB2 ) (resid 37 and name HN ) 4.11 2.31 0.41 assign (resid 37 and name HN ) (resid 38 and name HB2 ) 4.57 2.77 0.46 assign (resid 36 and name HB1 ) (resid 37 and name HN ) 4.11 2.31 0.41 assign (resid 2 and name HD1* ) (resid 37 and name HN ) 4.46 2.66 0.45 assign (resid 10 and name HD1* ) (resid 37 and name HN ) 4.84 3.04 0.48 assign (resid 2 and name HG2* ) (resid 37 and name HN ) 4.89 3.09 0.49 assign (resid 9 and name HA ) (resid 12 and name HN ) 4.06 2.26 0.41 assign (resid 11 and name HB2 ) (resid 12 and name HN ) 3.73 1.93 0.37 assign (resid 11 and name HB1 ) (resid 12 and name HN ) 4.08 2.28 0.41 assign (resid 12 and name HN ) (resid 13 and name HG ) 5.02 3.22 0.50 assign (resid 12 and name HN ) (resid 14 and name HB* ) 4.67 2.87 0.47 assign (resid 10 and name HG2* ) (resid 12 and name HN ) 5.50 3.70 0.55 assign (resid 12 and name HN ) (resid 13 and name HD1* ) 5.50 3.70 0.55 assign (resid 12 and name HN ) (resid 13 and name HN ) 3.57 1.77 0.36 assign (resid 17 and name HN ) (resid 18 and name HN ) 3.52 1.72 0.35 assign (resid 17 and name HN ) (resid 20 and name HN ) 5.50 3.70 0.55 assign (resid 17 and name HN ) (resid 19 and name HN ) 4.72 2.92 0.47 assign (resid 16 and name HB2 ) (resid 17 and name HN ) 3.62 1.82 0.36 assign (resid 16 and name HG1 ) (resid 17 and name HN ) 4.77 2.97 0.48 assign (resid 17 and name HN ) (resid 22 and name HB ) 4.04 2.24 0.40 assign (resid 17 and name HN ) (resid 22 and name HD1* ) 3.80 2.00 0.38 assign (resid 8 and name HB* ) (resid 10 and name HN ) 5.19 3.39 0.52 assign (resid 9 and name HG1 ) (resid 10 and name HN ) 5.37 3.57 0.54 assign (resid 9 and name HB2 ) (resid 10 and name HN ) 4.23 2.43 0.42 assign (resid 7 and name HA ) (resid 10 and name HN ) 3.63 1.83 0.36 assign (resid 8 and name HA ) (resid 10 and name HN ) 4.74 2.94 0.47 assign (resid 30 and name HA ) (resid 34 and name HN ) 4.78 2.98 0.48 assign (resid 30 and name HG1 ) (resid 34 and name HN ) 5.10 3.30 0.51 assign (resid 33 and name HB1 ) (resid 34 and name HN ) 4.21 2.41 0.42 assign (resid 10 and name HG12 ) (resid 34 and name HN ) 4.40 2.60 0.44 assign (resid 10 and name HG2* ) (resid 34 and name HN ) 5.32 3.52 0.53 assign (resid 10 and name HD1* ) (resid 34 and name HN ) 5.02 3.22 0.50 assign (resid 34 and name HN ) (resid 35 and name HN ) 3.52 1.72 0.35 assign (resid 47 and name HB1 ) (resid 48 and name HN ) 5.07 3.27 0.51 assign (resid 47 and name HB2 ) (resid 48 and name HN ) 5.07 3.27 0.51 assign (resid 47 and name HG ) (resid 48 and name HN ) 5.50 3.70 0.55 assign (resid 12 and name HN ) (resid 14 and name HN ) 4.42 2.62 0.44 assign (resid 11 and name HA ) (resid 14 and name HN ) 4.08 2.28 0.41 assign (resid 10 and name HA ) (resid 14 and name HN ) 5.01 3.21 0.50 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 3.87 2.07 0.39 assign (resid 13 and name HG ) (resid 14 and name HN ) 4.71 2.91 0.47 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 4.36 2.56 0.44 assign (resid 10 and name HG2* ) (resid 14 and name HN ) 4.46 2.66 0.45 assign (resid 37 and name HB1 ) (resid 38 and name HN ) 3.65 1.85 0.37 assign (resid 37 and name HB2 ) (resid 38 and name HN ) 4.13 2.33 0.41 assign (resid 37 and name HD* ) (resid 38 and name HN ) 4.62 2.82 0.46 assign (resid 11 and name HN ) (resid 12 and name HN ) 3.39 1.59 0.34 assign (resid 11 and name HN ) (resid 13 and name HN ) 4.96 3.16 0.50 assign (resid 8 and name HA ) (resid 11 and name HN ) 4.17 2.37 0.42 assign (resid 10 and name HB ) (resid 11 and name HN ) 3.46 1.66 0.35 assign (resid 10 and name HG11 ) (resid 11 and name HN ) 4.54 2.74 0.45 assign (resid 8 and name HB* ) (resid 11 and name HN ) 5.16 3.36 0.52 assign (resid 11 and name HN ) (resid 14 and name HB* ) 5.46 3.66 0.55 assign (resid 7 and name HG2* ) (resid 11 and name HN ) 4.36 2.56 0.44 assign (resid 10 and name HG2* ) (resid 11 and name HN ) 3.85 2.05 0.38 assign (resid 10 and name HD1* ) (resid 11 and name HN ) 4.98 3.18 0.50 assign (resid 18 and name HN ) (resid 21 and name HG2* ) 5.43 3.63 0.54 assign (resid 18 and name HN ) (resid 22 and name HG2* ) 5.50 3.70 0.55 assign (resid 15 and name HA ) (resid 18 and name HN ) 4.04 2.24 0.40 assign (resid 2 and name HB ) (resid 3 and name HN ) 4.35 2.55 0.44 assign (resid 3 and name HN ) (resid 6 and name HD2 ) 4.66 2.86 0.47 assign (resid 2 and name HG11 ) (resid 3 and name HN ) 4.81 3.01 0.48 assign (resid 2 and name HG12 ) (resid 3 and name HN ) 4.99 3.19 0.50 assign (resid 2 and name HG2* ) (resid 3 and name HN ) 4.93 3.13 0.49 assign (resid 4 and name HA ) (resid 8 and name HN ) 4.44 2.64 0.44 assign (resid 41 and name HB1 ) (resid 42 and name HN ) 5.10 3.30 0.51 assign (resid 7 and name HB ) (resid 8 and name HN ) 3.44 1.64 0.34 assign (resid 7 and name HG11 ) (resid 8 and name HN ) 5.35 3.55 0.54 assign (resid 7 and name HG12 ) (resid 8 and name HN ) 5.19 3.39 0.52 assign (resid 7 and name HG2* ) (resid 8 and name HN ) 3.85 2.05 0.38 assign (resid 41 and name HB2 ) (resid 42 and name HN ) 5.10 3.30 0.51 assign (resid 16 and name HN ) (resid 21 and name HG2* ) 4.45 2.65 0.44 assign (resid 16 and name HN ) (resid 22 and name HD1* ) 4.71 2.91 0.47 assign (resid 13 and name HA ) (resid 16 and name HN ) 3.87 2.07 0.39 assign (resid 35 and name HB2 ) (resid 36 and name HN ) 4.00 2.20 0.40 assign (resid 33 and name HD2* ) (resid 36 and name HN ) 5.02 3.22 0.50 assign (resid 33 and name HA ) (resid 36 and name HN ) 3.95 2.15 0.40 assign (resid 36 and name HN ) (resid 37 and name HN ) 3.66 1.86 0.37 assign (resid 27 and name HN ) (resid 29 and name HN ) 4.93 3.13 0.49 assign (resid 26 and name HA ) (resid 29 and name HN ) 3.84 2.04 0.38 assign (resid 28 and name HB* ) (resid 29 and name HN ) 3.37 1.57 0.34 assign (resid 13 and name HD1* ) (resid 29 and name HN ) 4.66 2.86 0.47 assign (resid 7 and name HN ) (resid 8 and name HB* ) 4.34 2.54 0.43 assign (resid 6 and name HB2 ) (resid 7 and name HN ) 4.48 2.68 0.45 assign (resid 4 and name HA ) (resid 7 and name HN ) 4.31 2.51 0.43 assign (resid 7 and name HN ) (resid 8 and name HN ) 3.56 1.76 0.36 assign (resid 31 and name HN ) (resid 33 and name HN ) 4.98 3.18 0.50 assign (resid 27 and name HA ) (resid 31 and name HN ) 4.83 3.03 0.48 assign (resid 29 and name HA ) (resid 31 and name HN ) 5.41 3.61 0.54 assign (resid 30 and name HB1 ) (resid 31 and name HN ) 3.51 1.71 0.35 assign (resid 30 and name HB2 ) (resid 31 and name HN ) 4.03 2.23 0.40 assign (resid 28 and name HB* ) (resid 31 and name HN ) 5.18 3.38 0.52 assign (resid 13 and name HD1* ) (resid 31 and name HN ) 4.93 3.13 0.49 assign (resid 33 and name HN ) (resid 35 and name HN ) 5.09 3.29 0.51 assign (resid 35 and name HN ) (resid 37 and name HN ) 5.48 3.68 0.55 assign (resid 35 and name HN ) (resid 36 and name HN ) 3.71 1.91 0.37 assign (resid 34 and name HB2 ) (resid 35 and name HN ) 3.63 1.83 0.36 assign (resid 34 and name HG1 ) (resid 35 and name HN ) 4.94 3.14 0.49 assign (resid 34 and name HG2 ) (resid 35 and name HN ) 5.21 3.41 0.52 assign (resid 35 and name HN ) (resid 38 and name HD1* ) 5.06 3.26 0.51 assign (resid 5 and name HB* ) (resid 6 and name HN ) 3.62 1.82 0.36 assign (resid 26 and name HN ) (resid 28 and name HB* ) 4.85 3.05 0.48 assign (resid 23 and name HG2* ) (resid 26 and name HN ) 4.63 2.83 0.46 assign (resid 22 and name HD1* ) (resid 26 and name HN ) 5.00 3.20 0.50 assign (resid 24 and name HA ) (resid 26 and name HN ) 4.80 3.00 0.48 assign (resid 26 and name HN ) (resid 27 and name HN ) 3.51 1.71 0.35 assign (resid 23 and name HN ) (resid 26 and name HN ) 4.33 2.53 0.43 assign (resid 11 and name HA ) (resid 15 and name HN ) 4.81 3.01 0.48 assign (resid 13 and name HB2 ) (resid 15 and name HN ) 5.50 3.70 0.55 assign (resid 15 and name HN ) (resid 18 and name HB2 ) 5.50 3.70 0.55 assign (resid 15 and name HN ) (resid 16 and name HG1 ) 4.83 3.03 0.48 assign (resid 15 and name HN ) (resid 16 and name HN ) 3.32 1.52 0.33 assign (resid 13 and name HN ) (resid 15 and name HN ) 4.92 3.12 0.49 assign (resid 15 and name HN ) (resid 17 and name HN ) 4.67 2.87 0.47 assign (resid 38 and name HD1* ) (resid 39 and name HN ) 5.42 3.62 0.54 assign (resid 38 and name HD2* ) (resid 39 and name HN ) 5.50 3.70 0.55 assign (resid 39 and name HN ) (resid 39 and name HG2 ) 4.41 2.61 0.44 assign (resid 9 and name HN ) (resid 10 and name HN ) 3.71 1.91 0.37 assign (resid 7 and name HA ) (resid 9 and name HN ) 5.04 3.24 0.50 assign (resid 9 and name HN ) (resid 33 and name HD1* ) 4.58 2.78 0.46 assign (resid 16 and name HA ) (resid 20 and name HN ) 4.25 2.45 0.43 assign (resid 17 and name HA ) (resid 20 and name HN ) 4.42 2.62 0.44 assign (resid 18 and name HB2 ) (resid 20 and name HN ) 5.50 3.70 0.55 assign (resid 18 and name HB1 ) (resid 20 and name HN ) 5.50 3.70 0.55 assign (resid 19 and name HB* ) (resid 20 and name HN ) 3.75 1.95 0.38 assign (resid 20 and name HN ) (resid 21 and name HG1* ) 4.76 2.96 0.48 assign (resid 20 and name HN ) (resid 21 and name HG2* ) 5.14 3.34 0.51 assign (resid 20 and name HN ) (resid 22 and name HG2* ) 5.45 3.65 0.55 assign (resid 20 and name HN ) (resid 22 and name HN ) 4.97 3.17 0.50 assign (resid 31 and name HG2 ) (resid 32 and name HN ) 5.50 3.70 0.55 assign (resid 31 and name HG1 ) (resid 32 and name HN ) 5.50 3.70 0.55 assign (resid 30 and name HB1 ) (resid 32 and name HN ) 5.50 3.70 0.55 assign (resid 29 and name HA ) (resid 32 and name HN ) 4.20 2.40 0.42 assign (resid 32 and name HN ) (resid 33 and name HN ) 3.50 1.70 0.35 assign (resid 30 and name HN ) (resid 32 and name HN ) 5.16 3.36 0.52 assign (resid 19 and name HB* ) (resid 21 and name HN ) 3.71 1.91 0.37 assign (resid 21 and name HN ) (resid 22 and name HB ) 4.45 2.65 0.44 assign (resid 19 and name HA ) (resid 21 and name HN ) 5.30 3.50 0.53 assign (resid 21 and name HN ) (resid 22 and name HA ) 5.50 3.70 0.55 assign (resid 16 and name HA ) (resid 21 and name HN ) 4.23 2.43 0.42 assign (resid 17 and name HA ) (resid 21 and name HN ) 4.87 3.07 0.49 assign (resid 21 and name HN ) (resid 22 and name HN ) 3.20 1.40 0.32 assign (resid 13 and name HB2 ) (resid 30 and name HE21 ) 5.08 3.28 0.51 assign (resid 17 and name HB* ) (resid 30 and name HE21 ) 4.01 2.21 0.40 assign (resid 13 and name HB1 ) (resid 30 and name HE21 ) 5.12 3.32 0.51 assign (resid 14 and name HA ) (resid 30 and name HE21 ) 4.23 2.43 0.42 assign (resid 28 and name HN ) (resid 30 and name HN ) 4.71 2.91 0.47 assign (resid 25 and name HA ) (resid 28 and name HN ) 4.02 2.22 0.40 assign (resid 28 and name HN ) (resid 30 and name HB1 ) 5.50 3.70 0.55 assign (resid 27 and name HB2 ) (resid 28 and name HN ) 3.48 1.68 0.35 assign (resid 27 and name HD* ) (resid 28 and name HN ) 5.50 3.70 0.55 assign (resid 7 and name HG2* ) (resid 11 and name HD21 ) 3.90 2.10 0.39 assign (resid 8 and name HA ) (resid 11 and name HD21 ) 4.72 2.92 0.47 assign (resid 31 and name HB2 ) (resid 31 and name HE21 ) 5.50 3.70 0.55 assign (resid 31 and name HB1 ) (resid 31 and name HE21 ) 5.50 3.70 0.55 assign (resid 31 and name HB2 ) (resid 31 and name HE22 ) 5.50 3.70 0.55 assign (resid 31 and name HB1 ) (resid 31 and name HE22 ) 5.50 3.70 0.55 assign (resid 7 and name HG2* ) (resid 11 and name HD22 ) 3.90 2.10 0.39 assign (resid 8 and name HA ) (resid 11 and name HD22 ) 4.72 2.92 0.47 assign (resid 21 and name HB ) (resid 22 and name HN ) 4.85 3.05 0.48 assign (resid 16 and name HB2 ) (resid 22 and name HN ) 4.90 3.10 0.49 assign (resid 17 and name HB* ) (resid 22 and name HN ) 5.50 3.70 0.55 assign (resid 19 and name HB* ) (resid 22 and name HN ) 5.35 3.55 0.54 assign (resid 16 and name HA ) (resid 22 and name HN ) 4.35 2.55 0.44 assign (resid 23 and name HB ) (resid 25 and name HN ) 3.30 1.50 0.33 assign (resid 29 and name HB2 ) (resid 30 and name HN ) 4.03 2.23 0.40 assign (resid 15 and name HA ) (resid 19 and name HN ) 5.13 3.33 0.51 assign (resid 19 and name HN ) (resid 20 and name HA2 ) 5.50 3.70 0.55 assign (resid 19 and name HN ) (resid 21 and name HG2* ) 4.42 2.62 0.44 assign (resid 14 and name HA ) (resid 30 and name HE22 ) 4.23 2.43 0.42 assign (resid 17 and name HB* ) (resid 30 and name HE22 ) 4.01 2.21 0.40 assign (resid 13 and name HB1 ) (resid 30 and name HE22 ) 5.12 3.32 0.51 assign (resid 13 and name HB2 ) (resid 30 and name HE22 ) 5.08 3.28 0.51 assign (resid 22 and name HD1* ) (resid 23 and name HN ) 4.21 2.41 0.42 assign (resid 11 and name HA ) (resid 13 and name HN ) 5.40 3.60 0.54 assign (resid 31 and name HA ) (resid 34 and name HN ) 3.92 2.12 0.39 assign (resid 2 and name HB ) (resid 36 and name HN ) 5.50 3.70 0.55 assign (resid 31 and name HN ) (resid 34 and name HB2 ) 5.50 3.70 0.55 assign (resid 36 and name HA ) (resid 39 and name HN ) 4.18 2.38 0.42 assign (resid 6 and name HA ) (resid 9 and name HN ) 3.80 2.00 0.38 assign (resid 16 and name HA ) (resid 19 and name HN ) 3.88 2.08 0.39 assign (resid 15 and name HA ) (resid 17 and name HN ) 5.02 3.22 0.50 assign (resid 9 and name HB2 ) (resid 9 and name HE ) 5.23 3.43 0.52 assign (resid 9 and name HB1 ) (resid 9 and name HE ) 5.23 3.43 0.52 assign (resid 9 and name HG2 ) (resid 9 and name HE ) 3.79 1.99 0.38 assign (resid 9 and name HG1 ) (resid 9 and name HE ) 4.06 2.26 0.41 assign (resid 9 and name HE ) (resid 33 and name HD1* ) 4.80 3.00 0.48 assign (resid 9 and name HE ) (resid 13 and name HD1* ) 4.90 3.10 0.49 assign (resid 9 and name HE ) (resid 13 and name HD2* ) 5.50 3.70 0.55 assign (resid 22 and name HG12 ) (resid 27 and name HN ) 4.19 2.39 0.42 assign (resid 22 and name HG11 ) (resid 27 and name HN ) 4.19 2.39 0.42 assign (resid 23 and name HN ) (resid 26 and name HA ) 5.50 3.70 0.55 assign (resid 27 and name HN ) (resid 30 and name HN ) 5.19 3.39 0.52 assign (resid 32 and name HN ) (resid 34 and name HN ) 5.13 3.33 0.51 assign (resid 23 and name HN ) (resid 26 and name HG2 ) 4.77 2.97 0.48 assign (resid 34 and name HN ) (resid 36 and name HN ) 5.12 3.32 0.51 assign (resid 23 and name HN ) (resid 26 and name HB1 ) 3.97 2.17 0.40 assign (resid 2 and name HA ) (resid 6 and name HE* ) 5.34 3.54 0.53 assign (resid 2 and name HG2* ) (resid 6 and name HB* ) 4.78 2.98 0.48 assign (resid 2 and name HG2* ) (resid 36 and name HB* ) 4.36 2.56 0.44 assign (resid 2 and name HG12 ) (resid 6 and name HB* ) 4.38 2.58 0.44 assign (resid 2 and name HG12 ) (resid 36 and name HB* ) 5.34 3.54 0.53 assign (resid 2 and name HG11 ) (resid 6 and name HB* ) 4.41 2.61 0.44 assign (resid 2 and name HG11 ) (resid 36 and name HG* ) 5.27 3.47 0.53 assign (resid 2 and name HD1* ) (resid 6 and name HB* ) 3.49 1.69 0.35 assign (resid 2 and name HD1* ) (resid 6 and name HG* ) 4.05 2.25 0.41 assign (resid 2 and name HD1* ) (resid 36 and name HB* ) 4.10 2.30 0.41 assign (resid 2 and name HD1* ) (resid 36 and name HG* ) 4.57 2.77 0.46 assign (resid 3 and name HB* ) (resid 5 and name HB* ) 4.40 2.60 0.44 assign (resid 3 and name HB* ) (resid 6 and name HG* ) 5.09 3.29 0.51 assign (resid 6 and name HN ) (resid 6 and name HB* ) 3.23 1.43 0.32 assign (resid 6 and name HN ) (resid 6 and name HG* ) 3.42 1.62 0.34 assign (resid 6 and name HA ) (resid 6 and name HG* ) 2.99 1.19 0.30 assign (resid 6 and name HB* ) (resid 6 and name HD2 ) 3.60 1.80 0.36 assign (resid 6 and name HB* ) (resid 6 and name HD1 ) 2.73 0.93 0.27 assign (resid 6 and name HB* ) (resid 7 and name HN ) 3.67 1.87 0.37 assign (resid 6 and name HB* ) (resid 33 and name HD2* ) 3.62 1.82 0.36 assign (resid 6 and name HG* ) (resid 6 and name HE* ) 3.10 1.30 0.31 assign (resid 6 and name HG* ) (resid 33 and name HD2* ) 3.62 1.82 0.36 assign (resid 6 and name HD1 ) (resid 36 and name HB* ) 4.21 2.41 0.42 assign (resid 6 and name HD1 ) (resid 36 and name HG* ) 4.59 2.79 0.46 assign (resid 6 and name HE* ) (resid 33 and name HD2* ) 3.60 1.80 0.36 assign (resid 6 and name HE* ) (resid 36 and name HG* ) 3.86 2.06 0.39 assign (resid 7 and name HB ) (resid 11 and name HD2* ) 5.24 3.44 0.52 assign (resid 7 and name HG2* ) (resid 11 and name HD2* ) 3.40 1.60 0.34 assign (resid 8 and name HA ) (resid 11 and name HD2* ) 4.04 2.24 0.40 assign (resid 8 and name HB* ) (resid 11 and name HD2* ) 5.10 3.30 0.51 assign (resid 9 and name HN ) (resid 9 and name HD* ) 4.61 2.81 0.46 assign (resid 9 and name HA ) (resid 9 and name HD* ) 3.31 1.51 0.33 assign (resid 9 and name HA ) (resid 12 and name HB* ) 3.53 1.73 0.35 assign (resid 9 and name HB* ) (resid 9 and name HG2 ) 2.42 0.62 0.24 assign (resid 9 and name HB* ) (resid 9 and name HD* ) 3.27 1.47 0.33 assign (resid 9 and name HB* ) (resid 9 and name HE ) 4.47 2.67 0.45 assign (resid 9 and name HB* ) (resid 10 and name HN ) 3.62 1.82 0.36 assign (resid 9 and name HB* ) (resid 11 and name HN ) 5.03 3.23 0.50 assign (resid 9 and name HB* ) (resid 13 and name HD1* ) 5.34 3.54 0.53 assign (resid 9 and name HB* ) (resid 33 and name HD1* ) 3.70 1.90 0.37 assign (resid 9 and name HD* ) (resid 12 and name HB* ) 3.87 2.07 0.39 assign (resid 9 and name HD* ) (resid 13 and name HN ) 5.08 3.28 0.51 assign (resid 9 and name HD* ) (resid 13 and name HG ) 4.29 2.49 0.43 assign (resid 9 and name HD* ) (resid 33 and name HD1* ) 5.20 3.40 0.52 assign (resid 9 and name HE ) (resid 29 and name HB* ) 5.34 3.54 0.53 assign (resid 10 and name HG2* ) (resid 30 and name HE* ) 5.02 3.22 0.50 assign (resid 11 and name HN ) (resid 11 and name HD2* ) 4.94 3.14 0.49 assign (resid 11 and name HB2 ) (resid 11 and name HD2* ) 3.35 1.55 0.34 assign (resid 11 and name HB1 ) (resid 11 and name HD2* ) 3.55 1.75 0.35 assign (resid 12 and name HB* ) (resid 13 and name HN ) 3.39 1.59 0.34 assign (resid 12 and name HB* ) (resid 13 and name HG ) 4.79 2.99 0.48 assign (resid 12 and name HB* ) (resid 13 and name HD2* ) 5.34 3.54 0.53 assign (resid 12 and name HG2 ) (resid 16 and name HD* ) 4.77 2.97 0.48 assign (resid 12 and name HG1 ) (resid 16 and name HD* ) 4.51 2.71 0.45 assign (resid 12 and name HG1 ) (resid 16 and name HE* ) 3.94 2.14 0.39 assign (resid 13 and name HA ) (resid 16 and name HD* ) 3.76 1.96 0.38 assign (resid 13 and name HA ) (resid 16 and name HE* ) 5.08 3.28 0.51 assign (resid 13 and name HB2 ) (resid 30 and name HE* ) 4.37 2.57 0.44 assign (resid 13 and name HB1 ) (resid 30 and name HE* ) 4.40 2.60 0.44 assign (resid 13 and name HD1* ) (resid 29 and name HB* ) 3.73 1.93 0.37 assign (resid 13 and name HD2* ) (resid 16 and name HD* ) 3.51 1.71 0.35 assign (resid 13 and name HD2* ) (resid 16 and name HE* ) 3.97 2.17 0.40 assign (resid 13 and name HD2* ) (resid 26 and name HB* ) 3.26 1.46 0.33 assign (resid 14 and name HN ) (resid 30 and name HE* ) 5.04 3.24 0.50 assign (resid 14 and name HA ) (resid 30 and name HE* ) 3.70 1.90 0.37 assign (resid 16 and name HN ) (resid 16 and name HD* ) 5.00 3.20 0.50 assign (resid 16 and name HA ) (resid 16 and name HD* ) 4.35 2.55 0.44 assign (resid 16 and name HB2 ) (resid 16 and name HD* ) 3.13 1.33 0.31 assign (resid 16 and name HB2 ) (resid 16 and name HE* ) 4.68 2.88 0.47 assign (resid 16 and name HB1 ) (resid 16 and name HD* ) 3.01 1.21 0.30 assign (resid 16 and name HD* ) (resid 21 and name HG2* ) 3.74 1.94 0.37 assign (resid 16 and name HD* ) (resid 22 and name HB ) 4.16 2.36 0.42 assign (resid 16 and name HE* ) (resid 21 and name HG2* ) 3.93 2.13 0.39 assign (resid 17 and name HB* ) (resid 30 and name HE* ) 3.44 1.64 0.34 assign (resid 18 and name HN ) (resid 18 and name HG* ) 4.31 2.51 0.43 assign (resid 18 and name HA ) (resid 18 and name HG* ) 3.53 1.73 0.35 assign (resid 18 and name HG* ) (resid 18 and name HE* ) 3.32 1.52 0.33 assign (resid 22 and name HN ) (resid 22 and name HG1* ) 4.05 2.25 0.41 assign (resid 22 and name HA ) (resid 22 and name HG1* ) 3.06 1.26 0.31 assign (resid 22 and name HA ) (resid 26 and name HB* ) 4.04 2.24 0.40 assign (resid 22 and name HB ) (resid 26 and name HB* ) 5.21 3.41 0.52 assign (resid 22 and name HG2* ) (resid 22 and name HG1* ) 3.08 1.28 0.31 assign (resid 22 and name HG2* ) (resid 27 and name HG* ) 3.30 1.50 0.33 assign (resid 22 and name HG1* ) (resid 23 and name HN ) 3.21 1.41 0.32 assign (resid 22 and name HG1* ) (resid 26 and name HB* ) 3.12 1.32 0.31 assign (resid 22 and name HG1* ) (resid 27 and name HN ) 3.52 1.72 0.35 assign (resid 22 and name HG1* ) (resid 27 and name HG* ) 3.96 2.16 0.40 assign (resid 22 and name HD1* ) (resid 26 and name HB* ) 3.99 2.19 0.40 assign (resid 22 and name HD1* ) (resid 27 and name HG* ) 3.57 1.77 0.36 assign (resid 22 and name HD1* ) (resid 30 and name HE* ) 3.95 2.15 0.40 assign (resid 23 and name HN ) (resid 26 and name HB* ) 3.25 1.45 0.33 assign (resid 23 and name HN ) (resid 26 and name HG* ) 4.14 2.34 0.41 assign (resid 23 and name HG2* ) (resid 26 and name HB* ) 5.34 3.54 0.53 assign (resid 23 and name HG2* ) (resid 26 and name HG* ) 4.71 2.91 0.47 assign (resid 24 and name HN ) (resid 24 and name HG* ) 3.44 1.64 0.34 assign (resid 24 and name HA ) (resid 24 and name HG* ) 3.32 1.52 0.33 assign (resid 24 and name HA ) (resid 27 and name HE* ) 5.34 3.54 0.53 assign (resid 24 and name HG* ) (resid 25 and name HN ) 4.83 3.03 0.48 assign (resid 25 and name HN ) (resid 25 and name HG* ) 4.35 2.55 0.44 assign (resid 25 and name HA ) (resid 25 and name HG* ) 3.32 1.52 0.33 assign (resid 25 and name HB* ) (resid 26 and name HN ) 3.83 2.03 0.38 assign (resid 25 and name HG* ) (resid 28 and name HN ) 5.34 3.54 0.53 assign (resid 25 and name HG* ) (resid 28 and name HB* ) 4.55 2.75 0.46 assign (resid 26 and name HN ) (resid 26 and name HB* ) 3.21 1.41 0.32 assign (resid 26 and name HN ) (resid 26 and name HG* ) 3.17 1.37 0.32 assign (resid 26 and name HA ) (resid 26 and name HG* ) 3.18 1.38 0.32 assign (resid 26 and name HA ) (resid 29 and name HB* ) 3.60 1.80 0.36 assign (resid 26 and name HB* ) (resid 27 and name HN ) 3.80 2.00 0.38 assign (resid 26 and name HG* ) (resid 27 and name HN ) 4.63 2.83 0.46 assign (resid 27 and name HA ) (resid 27 and name HG* ) 3.05 1.25 0.31 assign (resid 27 and name HA ) (resid 27 and name HE* ) 4.37 2.57 0.44 assign (resid 27 and name HB1 ) (resid 27 and name HE* ) 4.42 2.62 0.44 assign (resid 27 and name HG* ) (resid 27 and name HE* ) 3.29 1.49 0.33 assign (resid 27 and name HG* ) (resid 28 and name HN ) 5.34 3.54 0.53 assign (resid 27 and name HG* ) (resid 30 and name HB2 ) 5.33 3.53 0.53 assign (resid 28 and name HN ) (resid 29 and name HB* ) 5.05 3.25 0.51 assign (resid 28 and name HA ) (resid 31 and name HB* ) 3.78 1.98 0.38 assign (resid 28 and name HB* ) (resid 29 and name HB* ) 4.50 2.70 0.45 assign (resid 29 and name HN ) (resid 29 and name HB* ) 2.91 1.11 0.29 assign (resid 29 and name HA ) (resid 29 and name HG* ) 3.23 1.43 0.32 assign (resid 29 and name HA ) (resid 32 and name HB* ) 4.10 2.30 0.41 assign (resid 29 and name HB* ) (resid 30 and name HN ) 3.39 1.59 0.34 assign (resid 29 and name HB* ) (resid 33 and name HD1* ) 4.64 2.84 0.46 assign (resid 29 and name HG* ) (resid 30 and name HN ) 4.69 2.89 0.47 assign (resid 29 and name HG* ) (resid 32 and name HN ) 5.34 3.54 0.53 assign (resid 29 and name HG* ) (resid 33 and name HN ) 5.02 3.22 0.50 assign (resid 29 and name HG* ) (resid 33 and name HG ) 4.14 2.34 0.41 assign (resid 30 and name HB2 ) (resid 30 and name HE* ) 4.78 2.98 0.48 assign (resid 30 and name HG2 ) (resid 30 and name HE* ) 3.44 1.64 0.34 assign (resid 30 and name HG2 ) (resid 34 and name HD* ) 4.52 2.72 0.45 assign (resid 30 and name HG1 ) (resid 34 and name HD* ) 4.36 2.56 0.44 assign (resid 31 and name HN ) (resid 31 and name HB* ) 2.88 1.08 0.29 assign (resid 31 and name HN ) (resid 31 and name HG* ) 4.14 2.34 0.41 assign (resid 31 and name HN ) (resid 32 and name HB* ) 5.34 3.54 0.53 assign (resid 31 and name HA ) (resid 31 and name HG* ) 3.54 1.74 0.35 assign (resid 31 and name HA ) (resid 31 and name HE* ) 5.34 3.54 0.53 assign (resid 31 and name HB* ) (resid 32 and name HN ) 3.25 1.45 0.33 assign (resid 31 and name HB* ) (resid 33 and name HN ) 5.34 3.54 0.53 assign (resid 31 and name HG* ) (resid 32 and name HN ) 4.75 2.95 0.47 assign (resid 32 and name HN ) (resid 32 and name HB* ) 2.80 1.00 0.28 assign (resid 32 and name HA ) (resid 32 and name HG* ) 3.48 1.68 0.35 assign (resid 32 and name HB* ) (resid 32 and name HE* ) 4.00 2.20 0.40 assign (resid 32 and name HB* ) (resid 33 and name HN ) 3.28 1.48 0.33 assign (resid 32 and name HG* ) (resid 32 and name HE* ) 3.33 1.53 0.33 assign (resid 33 and name HA ) (resid 36 and name HB* ) 4.02 2.22 0.40 assign (resid 33 and name HA ) (resid 36 and name HG* ) 3.61 1.81 0.36 assign (resid 33 and name HB1 ) (resid 36 and name HB* ) 5.34 3.54 0.53 assign (resid 33 and name HD2* ) (resid 36 and name HB* ) 4.42 2.62 0.44 assign (resid 33 and name HD2* ) (resid 36 and name HG* ) 4.31 2.51 0.43 assign (resid 34 and name HN ) (resid 34 and name HD* ) 4.56 2.76 0.46 assign (resid 34 and name HA ) (resid 34 and name HD* ) 3.93 2.13 0.39 assign (resid 34 and name HB2 ) (resid 35 and name HE* ) 5.34 3.54 0.53 assign (resid 34 and name HB1 ) (resid 35 and name HE* ) 5.34 3.54 0.53 assign (resid 35 and name HN ) (resid 35 and name HB* ) 3.10 1.30 0.31 assign (resid 35 and name HN ) (resid 35 and name HG* ) 3.53 1.73 0.35 assign (resid 35 and name HA ) (resid 35 and name HG* ) 3.51 1.71 0.35 assign (resid 35 and name HA ) (resid 35 and name HE* ) 5.34 3.54 0.53 assign (resid 35 and name HB* ) (resid 36 and name HN ) 3.50 1.70 0.35 assign (resid 35 and name HG* ) (resid 38 and name HD1* ) 4.75 2.95 0.47 assign (resid 36 and name HN ) (resid 36 and name HB* ) 3.38 1.58 0.34 assign (resid 36 and name HN ) (resid 36 and name HG* ) 3.54 1.74 0.35 assign (resid 36 and name HA ) (resid 39 and name HG* ) 3.54 1.74 0.35 assign (resid 36 and name HA ) (resid 39 and name HE* ) 3.95 2.15 0.40 assign (resid 36 and name HB* ) (resid 36 and name HG* ) 2.18 0.38 0.22 assign (resid 36 and name HG* ) (resid 37 and name HN ) 4.77 2.97 0.48 assign (resid 36 and name HG* ) (resid 39 and name HG* ) 5.14 3.34 0.51 assign (resid 38 and name HA ) (resid 41 and name HB* ) 4.09 2.29 0.41 assign (resid 38 and name HB2 ) (resid 41 and name HB* ) 5.34 3.54 0.53 assign (resid 38 and name HD2* ) (resid 41 and name HB* ) 4.33 2.53 0.43 assign (resid 39 and name HN ) (resid 39 and name HB* ) 3.51 1.71 0.35 assign (resid 39 and name HN ) (resid 39 and name HG* ) 3.55 1.75 0.35 assign (resid 39 and name HN ) (resid 39 and name HD* ) 5.05 3.25 0.51 assign (resid 39 and name HA ) (resid 39 and name HG* ) 3.52 1.72 0.35 assign (resid 39 and name HA ) (resid 39 and name HD* ) 4.18 2.38 0.42 assign (resid 39 and name HB* ) (resid 39 and name HD* ) 3.02 1.22 0.30 assign (resid 39 and name HB* ) (resid 39 and name HE* ) 4.76 2.96 0.48 assign (resid 39 and name HB* ) (resid 40 and name HN ) 4.02 2.22 0.40 assign (resid 39 and name HB* ) (resid 40 and name HA* ) 4.64 2.84 0.46 assign (resid 39 and name HG* ) (resid 39 and name HE* ) 3.31 1.51 0.33 assign (resid 41 and name HN ) (resid 41 and name HB* ) 3.44 1.64 0.34 assign (resid 41 and name HA ) (resid 42 and name HG* ) 4.73 2.93 0.47 assign (resid 41 and name HB* ) (resid 42 and name HG* ) 4.76 2.96 0.48 assign (resid 42 and name HN ) (resid 42 and name HG* ) 4.46 2.66 0.45 assign (resid 42 and name HA ) (resid 42 and name HG* ) 3.71 1.91 0.37 assign (resid 42 and name HB* ) (resid 42 and name HD* ) 3.48 1.68 0.35 assign (resid 46 and name HN ) (resid 46 and name HG* ) 4.74 2.94 0.47 assign (resid 46 and name HN ) (resid 46 and name HD* ) 5.34 3.54 0.53 assign (resid 46 and name HA ) (resid 46 and name HD* ) 4.03 2.23 0.40 assign (resid 46 and name HB* ) (resid 46 and name HD* ) 3.18 1.38 0.32 assign (resid 46 and name HB* ) (resid 46 and name HE* ) 4.60 2.80 0.46 assign (resid 47 and name HN ) (resid 47 and name HB* ) 3.49 1.69 0.35 assign (resid 47 and name HA ) (resid 47 and name HD* ) 3.65 1.85 0.37 assign (resid 47 and name HB* ) (resid 48 and name HN ) 4.31 2.51 0.43 assign (resid 48 and name HN ) (resid 48 and name HB* ) 3.62 1.82 0.36 ! Dihedral angle constraints from Talos ! ! ACO file produced by PDBStat ! Version: 5.0-Exp Compiled 2007-05-25 on (troberto) ! dihedral assign (resid 3 and name C ) (resid 4 and name N ) (resid 4 and name CA ) (resid 4 and name C ) 1.0 -58.36 40.00 2 assign (resid 4 and name N ) (resid 4 and name CA ) (resid 4 and name C ) (resid 5 and name N ) 1.0 -38.20 50.00 2 assign (resid 4 and name C ) (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) 1.0 -67.56 40.00 2 assign (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) (resid 6 and name N ) 1.0 -40.58 50.00 2 assign (resid 5 and name C ) (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) 1.0 -66.85 40.00 2 assign (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) (resid 7 and name N ) 1.0 -41.20 50.00 2 assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) 1.0 -62.58 40.00 2 assign (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) (resid 8 and name N ) 1.0 -42.07 50.00 2 assign (resid 7 and name C ) (resid 8 and name N ) (resid 8 and name CA ) (resid 8 and name C ) 1.0 -62.27 40.00 2 assign (resid 8 and name N ) (resid 8 and name CA ) (resid 8 and name C ) (resid 9 and name N ) 1.0 -37.83 50.00 2 assign (resid 8 and name C ) (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name C ) 1.0 -67.66 40.00 2 assign (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name C ) (resid 10 and name N ) 1.0 -40.92 50.00 2 assign (resid 9 and name C ) (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) 1.0 -62.23 40.00 2 assign (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) (resid 11 and name N ) 1.0 -43.47 50.00 2 assign (resid 10 and name C ) (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) 1.0 -62.42 40.00 2 assign (resid 11 and name N ) (resid 11 and name CA ) (resid 11 and name C ) (resid 12 and name N ) 1.0 -40.47 50.00 2 assign (resid 11 and name C ) (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) 1.0 -64.61 40.00 2 assign (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) (resid 13 and name N ) 1.0 -43.69 50.00 2 assign (resid 12 and name C ) (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name C ) 1.0 -58.46 40.00 2 assign (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name C ) (resid 14 and name N ) 1.0 -42.10 50.00 2 assign (resid 13 and name C ) (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name C ) 1.0 -60.39 40.00 2 assign (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name C ) (resid 15 and name N ) 1.0 -43.36 50.00 2 assign (resid 14 and name C ) (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) 1.0 -64.51 40.00 2 assign (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) (resid 16 and name N ) 1.0 -39.21 50.00 2 assign (resid 15 and name C ) (resid 16 and name N ) (resid 16 and name CA ) (resid 16 and name C ) 1.0 -64.36 40.00 2 assign (resid 16 and name N ) (resid 16 and name CA ) (resid 16 and name C ) (resid 17 and name N ) 1.0 -42.06 50.00 2 assign (resid 16 and name C ) (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) 1.0 -66.25 40.00 2 assign (resid 17 and name N ) (resid 17 and name CA ) (resid 17 and name C ) (resid 18 and name N ) 1.0 -35.58 50.00 2 assign (resid 17 and name C ) (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) 1.0 -66.92 40.00 2 assign (resid 18 and name N ) (resid 18 and name CA ) (resid 18 and name C ) (resid 19 and name N ) 1.0 -26.22 50.00 2 assign (resid 18 and name C ) (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) 1.0 -88.58 40.00 2 assign (resid 19 and name N ) (resid 19 and name CA ) (resid 19 and name C ) (resid 20 and name N ) 1.0 0.98 50.00 2 assign (resid 21 and name C ) (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) 1.0 -101.53 40.00 2 assign (resid 22 and name N ) (resid 22 and name CA ) (resid 22 and name C ) (resid 23 and name N ) 1.0 127.27 50.00 2 assign (resid 22 and name C ) (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) 1.0 -85.77 40.00 2 assign (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) (resid 24 and name N ) 1.0 164.24 50.00 2 assign (resid 23 and name C ) (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) 1.0 -58.45 40.00 2 assign (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) (resid 25 and name N ) 1.0 -37.42 50.00 2 assign (resid 24 and name C ) (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name C ) 1.0 -64.69 40.00 2 assign (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name C ) (resid 26 and name N ) 1.0 -40.82 50.00 2 assign (resid 25 and name C ) (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) 1.0 -68.44 40.00 2 assign (resid 26 and name N ) (resid 26 and name CA ) (resid 26 and name C ) (resid 27 and name N ) 1.0 -41.02 50.00 2 assign (resid 26 and name C ) (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) 1.0 -67.38 40.00 2 assign (resid 27 and name N ) (resid 27 and name CA ) (resid 27 and name C ) (resid 28 and name N ) 1.0 -38.69 50.00 2 assign (resid 27 and name C ) (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) 1.0 -66.06 40.00 2 assign (resid 28 and name N ) (resid 28 and name CA ) (resid 28 and name C ) (resid 29 and name N ) 1.0 -38.01 50.00 2 assign (resid 28 and name C ) (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) 1.0 -69.91 40.00 2 assign (resid 29 and name N ) (resid 29 and name CA ) (resid 29 and name C ) (resid 30 and name N ) 1.0 -38.96 50.00 2 assign (resid 29 and name C ) (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) 1.0 -62.07 40.00 2 assign (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) (resid 31 and name N ) 1.0 -42.41 50.00 2 assign (resid 30 and name C ) (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name C ) 1.0 -62.65 40.00 2 assign (resid 31 and name N ) (resid 31 and name CA ) (resid 31 and name C ) (resid 32 and name N ) 1.0 -45.82 50.00 2 assign (resid 31 and name C ) (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) 1.0 -66.63 40.00 2 assign (resid 32 and name N ) (resid 32 and name CA ) (resid 32 and name C ) (resid 33 and name N ) 1.0 -40.11 50.00 2 assign (resid 32 and name C ) (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) 1.0 -63.68 40.00 2 assign (resid 33 and name N ) (resid 33 and name CA ) (resid 33 and name C ) (resid 34 and name N ) 1.0 -39.25 50.00 2 assign (resid 33 and name C ) (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) 1.0 -65.54 40.00 2 assign (resid 34 and name N ) (resid 34 and name CA ) (resid 34 and name C ) (resid 35 and name N ) 1.0 -37.60 50.00 2 assign (resid 34 and name C ) (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name C ) 1.0 -62.96 40.00 2 assign (resid 35 and name N ) (resid 35 and name CA ) (resid 35 and name C ) (resid 36 and name N ) 1.0 -42.40 50.00 2 assign (resid 35 and name C ) (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) 1.0 -65.06 40.00 2 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) (resid 37 and name N ) 1.0 -40.06 50.00 2 assign (resid 36 and name C ) (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name C ) 1.0 -65.17 40.00 2 assign (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name C ) (resid 38 and name N ) 1.0 -42.31 50.00 2 assign (resid 37 and name C ) (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) 1.0 -67.29 40.00 2 assign (resid 38 and name N ) (resid 38 and name CA ) (resid 38 and name C ) (resid 39 and name N ) 1.0 -36.03 50.00 2 assign (resid 39 and name C ) (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) 1.0 65.20 40.00 2 assign (resid 40 and name N ) (resid 40 and name CA ) (resid 40 and name C ) (resid 41 and name N ) 1.0 -30.42 50.00 2 end ! Hydrogen bond constraints used only in the CNS refinement. Generated by AutoStructure; consistent with CYANA. !END Manual Input ! created by NOESY_Assign Version 2.1.1 Copyright(C) 2005 assign (resid 4 and name O )(resid 8 and name N ) 2.80 0.4 0.5 assign (resid 4 and name O )(resid 8 and name HN ) 1.8 0.3 0.5 assign (resid 5 and name O )(resid 9 and name N ) 2.80 0.4 0.5 assign (resid 5 and name O )(resid 9 and name HN ) 1.8 0.3 0.5 assign (resid 6 and name O )(resid 10 and name N ) 2.80 0.4 0.5 assign (resid 6 and name O )(resid 10 and name HN ) 1.8 0.3 0.5 assign (resid 7 and name O )(resid 11 and name N ) 2.80 0.4 0.5 assign (resid 7 and name O )(resid 11 and name HN ) 1.8 0.3 0.5 assign (resid 8 and name O )(resid 12 and name N ) 2.80 0.4 0.5 assign (resid 8 and name O )(resid 12 and name HN ) 1.8 0.3 0.5 assign (resid 9 and name O )(resid 13 and name N ) 2.80 0.4 0.5 assign (resid 9 and name O )(resid 13 and name HN ) 1.8 0.3 0.5 assign (resid 10 and name O )(resid 14 and name N ) 2.80 0.4 0.5 assign (resid 10 and name O )(resid 14 and name HN ) 1.8 0.3 0.5 assign (resid 11 and name O )(resid 15 and name N ) 2.80 0.4 0.5 assign (resid 11 and name O )(resid 15 and name HN ) 1.8 0.3 0.5 assign (resid 13 and name O )(resid 17 and name N ) 2.80 0.4 0.5 assign (resid 13 and name O )(resid 17 and name HN ) 1.8 0.3 0.5 assign (resid 14 and name O )(resid 18 and name N ) 2.80 0.4 0.5 assign (resid 14 and name O )(resid 18 and name HN ) 1.8 0.3 0.5 assign (resid 15 and name O )(resid 19 and name N ) 2.80 0.4 0.5 assign (resid 15 and name O )(resid 19 and name HN ) 1.8 0.3 0.5 assign (resid 16 and name O )(resid 20 and name N ) 2.80 0.4 0.5 assign (resid 16 and name O )(resid 20 and name HN ) 1.8 0.3 0.5 assign (resid 24 and name O )(resid 28 and name N ) 2.80 0.4 0.5 assign (resid 24 and name O )(resid 28 and name HN ) 1.8 0.3 0.5 assign (resid 25 and name O )(resid 29 and name N ) 2.80 0.4 0.5 assign (resid 25 and name O )(resid 29 and name HN ) 1.8 0.3 0.5 assign (resid 26 and name O )(resid 30 and name N ) 2.80 0.4 0.5 assign (resid 26 and name O )(resid 30 and name HN ) 1.8 0.3 0.5 assign (resid 27 and name O )(resid 31 and name N ) 2.80 0.4 0.5 assign (resid 27 and name O )(resid 31 and name HN ) 1.8 0.3 0.5 assign (resid 28 and name O )(resid 32 and name N ) 2.80 0.4 0.5 assign (resid 28 and name O )(resid 32 and name HN ) 1.8 0.3 0.5 assign (resid 29 and name O )(resid 33 and name N ) 2.80 0.4 0.5 assign (resid 29 and name O )(resid 33 and name HN ) 1.8 0.3 0.5 assign (resid 30 and name O )(resid 34 and name N ) 2.80 0.4 0.5 assign (resid 30 and name O )(resid 34 and name HN ) 1.8 0.3 0.5 assign (resid 31 and name O )(resid 35 and name N ) 2.80 0.4 0.5 assign (resid 31 and name O )(resid 35 and name HN ) 1.8 0.3 0.5 assign (resid 32 and name O )(resid 36 and name N ) 2.80 0.4 0.5 assign (resid 32 and name O )(resid 36 and name HN ) 1.8 0.3 0.5 assign (resid 33 and name O )(resid 37 and name N ) 2.80 0.4 0.5 assign (resid 33 and name O )(resid 37 and name HN ) 1.8 0.3 0.5 assign (resid 34 and name O )(resid 38 and name N ) 2.80 0.4 0.5 assign (resid 34 and name O )(resid 38 and name HN ) 1.8 0.3 0.5 assign (resid 35 and name O )(resid 39 and name N ) 2.80 0.4 0.5 assign (resid 35 and name O )(resid 39 and name HN ) 1.8 0.3 0.5 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 1.172 -12.618 5.544 2 H1 MET 1 1H MET 1 -0.014 -12.899 7.605 3 H2 MET 1 2H MET 1 -1.484 -12.524 6.859 4 H3 MET 1 3H MET 1 -0.276 -11.344 6.994 5 HB2 MET 1 2HB MET 1 -1.234 -14.450 5.367 6 HB3 MET 1 1HB MET 1 0.149 -14.531 4.284 7 HG2 MET 1 2HG MET 1 1.610 -15.098 6.115 8 HG3 MET 1 1HG MET 1 0.295 -14.887 7.271 9 HE1 MET 1 3HE MET 1 -0.137 -16.523 3.715 10 HE2 MET 1 1HE MET 1 0.256 -18.207 4.057 11 HE3 MET 1 2HE MET 1 1.510 -16.974 4.148 12 H ILE 2 H ILE 2 0.675 -12.856 3.020 13 HA ILE 2 HA ILE 2 -1.348 -10.832 2.301 14 HB ILE 2 HB ILE 2 0.866 -9.750 2.511 15 HG12 ILE 2 2HG1 ILE 2 -0.096 -9.908 -0.360 16 HG13 ILE 2 1HG1 ILE 2 -0.839 -8.924 0.896 17 HG21 ILE 2 1HG2 ILE 2 2.644 -10.257 0.905 18 HG22 ILE 2 2HG2 ILE 2 1.687 -11.588 0.259 19 HG23 ILE 2 3HG2 ILE 2 2.278 -11.652 1.920 20 HD11 ILE 2 3HD1 ILE 2 0.593 -7.602 -0.544 21 HD12 ILE 2 1HD1 ILE 2 1.969 -8.627 -0.142 22 HD13 ILE 2 2HD1 ILE 2 1.215 -7.634 1.107 23 H SER 3 H SER 3 -2.290 -11.024 0.294 24 HA SER 3 HA SER 3 -1.496 -13.323 -1.395 25 HG SER 3 HG SER 3 -4.956 -13.758 -2.376 26 HB2 SER 3 2HB SER 3 -3.676 -13.727 -0.312 27 HB3 SER 3 1HB SER 3 -4.289 -12.210 -0.971 28 H ASN 4 H ASN 4 -2.424 -13.010 -3.731 29 HA ASN 4 HA ASN 4 -1.002 -10.926 -4.907 30 HB2 ASN 4 2HB ASN 4 -2.166 -11.489 -7.005 31 HB3 ASN 4 1HB ASN 4 -1.641 -12.935 -6.147 32 HD21 ASN 4 1HD2 ASN 4 -3.762 -12.588 -8.138 33 HD22 ASN 4 2HD2 ASN 4 -5.198 -13.182 -7.383 34 H ALA 5 H ALA 5 -4.454 -11.045 -4.097 35 HA ALA 5 HA ALA 5 -5.295 -8.653 -5.254 36 HB1 ALA 5 3HB ALA 5 -6.250 -9.821 -2.637 37 HB2 ALA 5 1HB ALA 5 -6.810 -10.304 -4.239 38 HB3 ALA 5 2HB ALA 5 -7.122 -8.672 -3.652 39 H LYS 6 H LYS 6 -3.814 -9.189 -2.064 40 HA LYS 6 HA LYS 6 -3.914 -6.423 -1.317 41 HB2 LYS 6 2HB LYS 6 -2.594 -8.849 -0.140 42 HB3 LYS 6 1HB LYS 6 -2.243 -7.244 0.490 43 HG2 LYS 6 2HG LYS 6 -4.596 -6.911 1.014 44 HG3 LYS 6 1HG LYS 6 -4.986 -8.489 0.327 45 HD2 LYS 6 2HD LYS 6 -3.745 -9.623 2.043 46 HD3 LYS 6 1HD LYS 6 -3.089 -8.098 2.646 47 HE2 LYS 6 2HE LYS 6 -4.931 -8.999 4.046 48 HE3 LYS 6 1HE LYS 6 -5.259 -7.392 3.401 49 HZ1 LYS 6 3HZ LYS 6 -6.303 -9.937 2.272 50 HZ2 LYS 6 1HZ LYS 6 -6.645 -8.384 1.695 51 HZ3 LYS 6 2HZ LYS 6 -7.186 -8.853 3.226 52 H ILE 7 H ILE 7 -1.493 -8.479 -2.865 53 HA ILE 7 HA ILE 7 0.693 -6.703 -2.731 54 HB ILE 7 HB ILE 7 0.010 -8.685 -4.924 55 HG12 ILE 7 2HG1 ILE 7 1.814 -8.920 -2.494 56 HG13 ILE 7 1HG1 ILE 7 0.263 -9.722 -2.710 57 HG21 ILE 7 1HG2 ILE 7 2.403 -8.575 -5.516 58 HG22 ILE 7 2HG2 ILE 7 2.627 -7.281 -4.339 59 HG23 ILE 7 3HG2 ILE 7 1.594 -7.026 -5.746 60 HD11 ILE 7 3HD1 ILE 7 1.192 -10.996 -4.578 61 HD12 ILE 7 1HD1 ILE 7 2.098 -11.250 -3.086 62 HD13 ILE 7 2HD1 ILE 7 2.748 -10.195 -4.342 63 H ALA 8 H ALA 8 -1.870 -7.041 -5.185 64 HA ALA 8 HA ALA 8 -1.149 -4.892 -6.837 65 HB1 ALA 8 3HB ALA 8 -3.928 -5.918 -6.231 66 HB2 ALA 8 1HB ALA 8 -2.832 -6.570 -7.451 67 HB3 ALA 8 2HB ALA 8 -3.464 -4.932 -7.619 68 H ARG 9 H ARG 9 -3.252 -4.977 -3.973 69 HA ARG 9 HA ARG 9 -3.970 -2.294 -3.795 70 HE ARG 9 HE ARG 9 -5.750 -1.275 0.772 71 HB2 ARG 9 2HB ARG 9 -4.972 -3.948 -2.360 72 HB3 ARG 9 1HB ARG 9 -3.420 -4.352 -1.648 73 HG2 ARG 9 2HG ARG 9 -4.631 -3.092 -0.052 74 HG3 ARG 9 1HG ARG 9 -3.351 -2.053 -0.671 75 HD2 ARG 9 2HD ARG 9 -4.881 -0.775 -1.957 76 HD3 ARG 9 1HD ARG 9 -6.170 -1.963 -1.742 77 HH11 ARG 9 1HH1 ARG 9 -6.039 0.780 -1.994 78 HH12 ARG 9 2HH1 ARG 9 -6.624 2.109 -1.049 79 HH21 ARG 9 1HH2 ARG 9 -6.541 0.427 1.936 80 HH22 ARG 9 2HH2 ARG 9 -6.905 1.923 1.131 81 H ILE 10 H ILE 10 -1.018 -3.899 -2.551 82 HA ILE 10 HA ILE 10 0.138 -1.635 -1.344 83 HB ILE 10 HB ILE 10 1.485 -4.041 -2.584 84 HG12 ILE 10 2HG1 ILE 10 0.837 -3.315 0.289 85 HG13 ILE 10 1HG1 ILE 10 0.076 -4.583 -0.669 86 HG21 ILE 10 1HG2 ILE 10 3.515 -3.396 -1.372 87 HG22 ILE 10 2HG2 ILE 10 2.730 -1.913 -0.831 88 HG23 ILE 10 3HG2 ILE 10 3.056 -2.162 -2.545 89 HD11 ILE 10 3HD1 ILE 10 2.940 -4.508 0.244 90 HD12 ILE 10 1HD1 ILE 10 2.230 -5.756 -0.779 91 HD13 ILE 10 2HD1 ILE 10 1.654 -5.535 0.873 92 H ASN 11 H ASN 11 0.696 -2.962 -4.628 93 HA ASN 11 HA ASN 11 2.420 -0.920 -5.507 94 HB2 ASN 11 2HB ASN 11 0.572 -2.757 -7.038 95 HB3 ASN 11 1HB ASN 11 1.717 -1.668 -7.822 96 HD21 ASN 11 1HD2 ASN 11 1.583 -4.585 -7.816 97 HD22 ASN 11 2HD2 ASN 11 3.115 -5.119 -7.233 98 H GLU 12 H GLU 12 -1.087 -1.123 -5.474 99 HA GLU 12 HA GLU 12 -1.717 1.197 -6.928 100 HB2 GLU 12 2HB GLU 12 -3.414 -0.428 -6.251 101 HB3 GLU 12 1HB GLU 12 -3.128 -0.058 -4.557 102 HG2 GLU 12 2HG GLU 12 -3.833 2.330 -5.137 103 HG3 GLU 12 1HG GLU 12 -4.434 1.653 -6.648 104 H LEU 13 H LEU 13 -1.355 0.760 -3.414 105 HA LEU 13 HA LEU 13 -1.655 3.472 -2.711 106 HG LEU 13 HG LEU 13 -2.503 0.575 -1.559 107 HB2 LEU 13 2HB LEU 13 -0.211 1.282 -1.209 108 HB3 LEU 13 1HB LEU 13 -0.748 2.808 -0.528 109 HD11 LEU 13 1HD1 LEU 13 -1.545 0.178 0.652 110 HD12 LEU 13 2HD1 LEU 13 -3.286 0.437 0.736 111 HD13 LEU 13 3HD1 LEU 13 -2.179 1.726 1.208 112 HD21 LEU 13 3HD2 LEU 13 -3.241 3.325 -0.582 113 HD22 LEU 13 1HD2 LEU 13 -4.382 1.998 -0.778 114 HD23 LEU 13 2HD2 LEU 13 -3.535 2.644 -2.181 115 H ALA 14 H ALA 14 1.264 1.516 -3.205 116 HA ALA 14 HA ALA 14 3.211 3.394 -2.600 117 HB1 ALA 14 3HB ALA 14 4.697 2.107 -4.068 118 HB2 ALA 14 1HB ALA 14 3.303 1.279 -4.762 119 HB3 ALA 14 2HB ALA 14 3.713 1.047 -3.062 120 H ALA 15 H ALA 15 1.545 2.835 -5.706 121 HA ALA 15 HA ALA 15 2.792 4.885 -7.183 122 HB1 ALA 15 3HB ALA 15 -0.006 3.777 -7.487 123 HB2 ALA 15 1HB ALA 15 1.453 3.110 -8.220 124 HB3 ALA 15 2HB ALA 15 0.876 4.705 -8.700 125 H LYS 16 H LYS 16 -0.100 4.912 -5.115 126 HA LYS 16 HA LYS 16 -0.863 7.593 -5.505 127 HB2 LYS 16 2HB LYS 16 -1.186 5.796 -3.091 128 HB3 LYS 16 1HB LYS 16 -1.954 7.369 -3.247 129 HG2 LYS 16 2HG LYS 16 -3.236 6.612 -5.142 130 HG3 LYS 16 1HG LYS 16 -2.384 5.066 -5.142 131 HD2 LYS 16 2HD LYS 16 -3.326 4.494 -2.984 132 HD3 LYS 16 1HD LYS 16 -4.086 6.083 -2.858 133 HE2 LYS 16 2HE LYS 16 -5.524 5.589 -4.742 134 HE3 LYS 16 1HE LYS 16 -4.700 4.054 -5.009 135 HZ1 LYS 16 3HZ LYS 16 -6.029 4.614 -2.433 136 HZ2 LYS 16 1HZ LYS 16 -5.657 3.121 -3.138 137 HZ3 LYS 16 2HZ LYS 16 -6.919 4.062 -3.761 138 H ALA 17 H ALA 17 1.482 6.142 -3.286 139 HA ALA 17 HA ALA 17 2.093 8.525 -1.849 140 HB1 ALA 17 3HB ALA 17 2.550 6.320 -0.925 141 HB2 ALA 17 1HB ALA 17 4.031 7.273 -1.012 142 HB3 ALA 17 2HB ALA 17 3.724 6.007 -2.202 143 H LYS 18 H LYS 18 3.710 6.859 -4.539 144 HA LYS 18 HA LYS 18 5.822 8.679 -4.912 145 HB2 LYS 18 2HB LYS 18 4.436 6.893 -6.934 146 HB3 LYS 18 1HB LYS 18 5.985 7.687 -7.190 147 HG2 LYS 18 2HG LYS 18 7.058 6.353 -5.558 148 HG3 LYS 18 1HG LYS 18 5.522 5.781 -4.906 149 HD2 LYS 18 2HD LYS 18 6.519 4.016 -6.206 150 HD3 LYS 18 1HD LYS 18 5.091 4.611 -7.054 151 HE2 LYS 18 2HE LYS 18 6.835 4.280 -8.662 152 HE3 LYS 18 1HE LYS 18 6.600 6.016 -8.465 153 HZ1 LYS 18 3HZ LYS 18 8.759 4.389 -7.231 154 HZ2 LYS 18 1HZ LYS 18 8.526 6.044 -6.975 155 HZ3 LYS 18 2HZ LYS 18 8.937 5.475 -8.513 156 H ALA 19 H ALA 19 2.491 8.712 -6.043 157 HA ALA 19 HA ALA 19 2.834 11.020 -7.739 158 HB1 ALA 19 3HB ALA 19 0.283 9.803 -6.673 159 HB2 ALA 19 1HB ALA 19 1.086 9.344 -8.176 160 HB3 ALA 19 2HB ALA 19 0.421 10.968 -7.993 161 H GLY 20 H GLY 20 1.623 10.437 -4.463 162 HA2 GLY 20 2HA GLY 20 1.972 12.134 -2.755 163 HA3 GLY 20 1HA GLY 20 1.643 13.356 -3.970 164 H VAL 21 H VAL 21 -0.563 11.031 -4.592 165 HA VAL 21 HA VAL 21 -2.666 12.593 -3.303 166 HB VAL 21 HB VAL 21 -4.219 11.355 -4.758 167 HG11 VAL 21 1HG1 VAL 21 -1.820 12.442 -6.241 168 HG12 VAL 21 2HG1 VAL 21 -3.161 13.392 -5.603 169 HG13 VAL 21 3HG1 VAL 21 -3.442 12.237 -6.905 170 HG21 VAL 21 3HG2 VAL 21 -3.369 9.789 -6.451 171 HG22 VAL 21 1HG2 VAL 21 -3.058 9.199 -4.816 172 HG23 VAL 21 2HG2 VAL 21 -1.751 9.918 -5.758 173 H ILE 22 H ILE 22 -0.924 10.309 -1.994 174 HA ILE 22 HA ILE 22 -2.955 8.386 -1.226 175 HB ILE 22 HB ILE 22 -0.603 7.700 -1.605 176 HG12 ILE 22 2HG1 ILE 22 -1.513 7.232 1.248 177 HG13 ILE 22 1HG1 ILE 22 -2.136 6.374 -0.158 178 HG21 ILE 22 1HG2 ILE 22 -0.007 9.229 0.932 179 HG22 ILE 22 2HG2 ILE 22 0.509 9.681 -0.693 180 HG23 ILE 22 3HG2 ILE 22 1.122 8.200 0.045 181 HD11 ILE 22 3HD1 ILE 22 0.722 6.325 0.793 182 HD12 ILE 22 1HD1 ILE 22 0.066 5.436 -0.583 183 HD13 ILE 22 2HD1 ILE 22 -0.480 5.059 1.052 184 H THR 23 H THR 23 -4.234 8.493 0.546 185 HA THR 23 HA THR 23 -3.946 10.711 2.405 186 HB THR 23 HB THR 23 -6.023 9.849 3.457 187 HG1 THR 23 HG1 THR 23 -7.073 8.073 2.414 188 HG21 THR 23 3HG2 THR 23 -6.174 11.447 1.615 189 HG22 THR 23 1HG2 THR 23 -7.517 10.302 1.557 190 HG23 THR 23 2HG2 THR 23 -6.159 10.124 0.449 191 H GLU 24 H GLU 24 -4.193 10.328 4.764 192 HA GLU 24 HA GLU 24 -2.075 8.865 5.818 193 HB2 GLU 24 2HB GLU 24 -4.580 9.728 7.281 194 HB3 GLU 24 1HB GLU 24 -3.025 9.353 8.013 195 HG2 GLU 24 2HG GLU 24 -3.581 11.625 6.113 196 HG3 GLU 24 1HG GLU 24 -3.401 11.762 7.856 197 H GLU 25 H GLU 25 -5.486 7.953 5.537 198 HA GLU 25 HA GLU 25 -5.339 5.533 6.981 199 HB2 GLU 25 2HB GLU 25 -7.475 6.561 6.508 200 HB3 GLU 25 1HB GLU 25 -7.222 6.398 4.775 201 HG2 GLU 25 2HG GLU 25 -7.391 4.004 4.918 202 HG3 GLU 25 1HG GLU 25 -7.443 4.072 6.680 203 H GLU 26 H GLU 26 -5.102 6.160 3.472 204 HA GLU 26 HA GLU 26 -4.573 3.539 2.633 205 HB2 GLU 26 2HB GLU 26 -3.528 6.136 1.468 206 HB3 GLU 26 1HB GLU 26 -3.555 4.587 0.640 207 HG2 GLU 26 2HG GLU 26 -6.002 6.069 1.586 208 HG3 GLU 26 1HG GLU 26 -5.360 6.135 -0.052 209 H LYS 27 H LYS 27 -2.343 6.114 3.647 210 HA LYS 27 HA LYS 27 0.104 4.821 3.315 211 HB2 LYS 27 2HB LYS 27 -0.778 6.863 5.361 212 HB3 LYS 27 1HB LYS 27 0.893 6.348 5.176 213 HG2 LYS 27 2HG LYS 27 1.071 7.314 3.036 214 HG3 LYS 27 1HG LYS 27 -0.677 7.488 2.880 215 HD2 LYS 27 2HD LYS 27 0.459 9.637 3.334 216 HD3 LYS 27 1HD LYS 27 -0.703 9.205 4.587 217 HE2 LYS 27 2HE LYS 27 1.151 8.365 5.982 218 HE3 LYS 27 1HE LYS 27 2.296 8.860 4.736 219 HZ1 LYS 27 3HZ LYS 27 1.666 11.134 5.054 220 HZ2 LYS 27 1HZ LYS 27 2.081 10.475 6.552 221 HZ3 LYS 27 2HZ LYS 27 0.454 10.712 6.155 222 H ALA 28 H ALA 28 -2.014 4.839 6.180 223 HA ALA 28 HA ALA 28 -0.412 3.316 7.895 224 HB1 ALA 28 3HB ALA 28 -2.467 2.880 9.150 225 HB2 ALA 28 1HB ALA 28 -3.426 3.439 7.778 226 HB3 ALA 28 2HB ALA 28 -2.379 4.566 8.639 227 H GLU 29 H GLU 29 -2.986 2.234 5.676 228 HA GLU 29 HA GLU 29 -2.741 -0.524 6.263 229 HB2 GLU 29 2HB GLU 29 -4.710 0.564 5.145 230 HB3 GLU 29 1HB GLU 29 -3.743 0.704 3.682 231 HG2 GLU 29 2HG GLU 29 -3.526 -1.734 3.589 232 HG3 GLU 29 1HG GLU 29 -4.487 -1.878 5.058 233 H GLN 30 H GLN 30 -1.300 1.516 3.742 234 HA GLN 30 HA GLN 30 0.028 -0.363 2.215 235 HB2 GLN 30 2HB GLN 30 -0.062 2.078 1.741 236 HB3 GLN 30 1HB GLN 30 1.091 2.356 3.039 237 HG2 GLN 30 2HG GLN 30 2.752 0.994 1.818 238 HG3 GLN 30 1HG GLN 30 1.596 0.802 0.499 239 HE21 GLN 30 1HE2 GLN 30 3.776 2.959 2.087 240 HE22 GLN 30 2HE2 GLN 30 3.715 4.216 0.912 241 H GLN 31 H GLN 31 1.412 1.395 5.001 242 HA GLN 31 HA GLN 31 3.851 0.082 5.164 243 HB2 GLN 31 2HB GLN 31 2.159 1.240 7.394 244 HB3 GLN 31 1HB GLN 31 3.851 0.787 7.561 245 HG2 GLN 31 2HG GLN 31 4.502 2.457 5.937 246 HG3 GLN 31 1HG GLN 31 2.812 2.867 5.641 247 HE21 GLN 31 1HE2 GLN 31 1.687 4.045 7.186 248 HE22 GLN 31 2HE2 GLN 31 2.479 4.891 8.465 249 H LYS 32 H LYS 32 0.760 -0.817 6.703 250 HA LYS 32 HA LYS 32 1.770 -3.010 8.171 251 HB2 LYS 32 2HB LYS 32 -0.435 -1.894 8.571 252 HB3 LYS 32 1HB LYS 32 -1.050 -2.685 7.123 253 HG2 LYS 32 2HG LYS 32 -0.619 -4.877 8.136 254 HG3 LYS 32 1HG LYS 32 -0.006 -4.080 9.588 255 HD2 LYS 32 2HD LYS 32 -2.242 -2.981 9.835 256 HD3 LYS 32 1HD LYS 32 -2.822 -3.981 8.499 257 HE2 LYS 32 2HE LYS 32 -1.722 -4.968 11.133 258 HE3 LYS 32 1HE LYS 32 -3.414 -4.975 10.643 259 HZ1 LYS 32 3HZ LYS 32 -1.211 -6.547 9.410 260 HZ2 LYS 32 1HZ LYS 32 -2.800 -6.493 8.828 261 HZ3 LYS 32 2HZ LYS 32 -2.480 -7.142 10.354 262 H LEU 33 H LEU 33 0.074 -2.930 5.019 263 HA LEU 33 HA LEU 33 0.148 -5.688 4.523 264 HG LEU 33 HG LEU 33 -1.946 -3.474 3.956 265 HB2 LEU 33 2HB LEU 33 0.080 -3.370 2.593 266 HB3 LEU 33 1HB LEU 33 -0.132 -5.044 2.112 267 HD11 LEU 33 1HD1 LEU 33 -2.174 -2.819 1.630 268 HD12 LEU 33 2HD1 LEU 33 -3.589 -3.729 2.156 269 HD13 LEU 33 3HD1 LEU 33 -2.366 -4.506 1.152 270 HD21 LEU 33 3HD2 LEU 33 -3.394 -5.449 3.922 271 HD22 LEU 33 1HD2 LEU 33 -1.827 -5.821 4.639 272 HD23 LEU 33 2HD2 LEU 33 -2.185 -6.330 2.988 273 H ARG 34 H ARG 34 2.532 -3.171 3.761 274 HA ARG 34 HA ARG 34 4.295 -4.752 2.251 275 HE ARG 34 HE ARG 34 6.756 -1.804 0.909 276 HB2 ARG 34 2HB ARG 34 4.910 -2.432 4.096 277 HB3 ARG 34 1HB ARG 34 6.051 -3.125 2.951 278 HG2 ARG 34 2HG ARG 34 4.505 -2.532 1.105 279 HG3 ARG 34 1HG ARG 34 3.439 -1.764 2.280 280 HD2 ARG 34 2HD ARG 34 4.745 -0.042 1.291 281 HD3 ARG 34 1HD ARG 34 5.369 -0.287 2.922 282 HH11 ARG 34 1HH1 ARG 34 6.599 1.257 2.502 283 HH12 ARG 34 2HH1 ARG 34 8.248 1.633 2.142 284 HH21 ARG 34 1HH2 ARG 34 8.850 -1.296 0.464 285 HH22 ARG 34 2HH2 ARG 34 9.499 0.215 1.004 286 H GLN 35 H GLN 35 4.017 -4.323 5.765 287 HA GLN 35 HA GLN 35 6.158 -6.052 6.476 288 HB2 GLN 35 2HB GLN 35 3.654 -5.293 8.001 289 HB3 GLN 35 1HB GLN 35 5.015 -6.165 8.695 290 HG2 GLN 35 2HG GLN 35 6.467 -4.292 8.396 291 HG3 GLN 35 1HG GLN 35 5.252 -3.432 7.451 292 HE21 GLN 35 1HE2 GLN 35 3.533 -2.476 8.495 293 HE22 GLN 35 2HE2 GLN 35 3.499 -2.226 10.205 294 H GLU 36 H GLU 36 2.671 -6.634 6.018 295 HA GLU 36 HA GLU 36 2.585 -9.368 6.598 296 HB2 GLU 36 2HB GLU 36 1.024 -7.949 4.417 297 HB3 GLU 36 1HB GLU 36 0.601 -9.480 5.164 298 HG2 GLU 36 2HG GLU 36 0.658 -6.796 6.541 299 HG3 GLU 36 1HG GLU 36 -0.782 -7.648 5.991 300 H TYR 37 H TYR 37 3.720 -7.670 3.752 301 HA TYR 37 HA TYR 37 4.142 -10.022 2.153 302 HD1 TYR 37 HD2 TYR 37 7.401 -8.092 0.781 303 HD2 TYR 37 HD1 TYR 37 3.571 -9.163 -0.749 304 HE1 TYR 37 HE2 TYR 37 8.450 -8.866 -1.308 305 HE2 TYR 37 HE1 TYR 37 4.611 -9.935 -2.833 306 HH TYR 37 HH TYR 37 7.880 -10.508 -3.160 307 HB2 TYR 37 2HB TYR 37 3.759 -7.738 1.204 308 HB3 TYR 37 1HB TYR 37 5.330 -7.250 1.826 309 H LEU 38 H LEU 38 6.155 -7.969 4.227 310 HA LEU 38 HA LEU 38 8.640 -9.164 3.577 311 HG LEU 38 HG LEU 38 7.845 -6.228 3.924 312 HB2 LEU 38 2HB LEU 38 7.771 -7.568 5.987 313 HB3 LEU 38 1HB LEU 38 9.426 -8.084 5.717 314 HD11 LEU 38 1HD1 LEU 38 9.442 -4.519 4.678 315 HD12 LEU 38 2HD1 LEU 38 10.140 -5.681 5.808 316 HD13 LEU 38 3HD1 LEU 38 8.468 -5.152 6.004 317 HD21 LEU 38 3HD2 LEU 38 9.400 -7.565 2.623 318 HD22 LEU 38 1HD2 LEU 38 10.711 -7.166 3.733 319 HD23 LEU 38 2HD2 LEU 38 9.979 -5.907 2.741 320 H LYS 39 H LYS 39 6.071 -10.359 5.498 321 HA LYS 39 HA LYS 39 7.261 -11.955 7.401 322 HB2 LYS 39 2HB LYS 39 5.029 -12.808 5.539 323 HB3 LYS 39 1HB LYS 39 5.407 -13.540 7.091 324 HG2 LYS 39 2HG LYS 39 4.519 -10.685 6.708 325 HG3 LYS 39 1HG LYS 39 3.460 -12.021 7.157 326 HD2 LYS 39 2HD LYS 39 4.755 -12.364 9.211 327 HD3 LYS 39 1HD LYS 39 5.836 -11.044 8.758 328 HE2 LYS 39 2HE LYS 39 3.993 -9.464 8.859 329 HE3 LYS 39 1HE LYS 39 2.864 -10.768 9.216 330 HZ1 LYS 39 3HZ LYS 39 5.138 -9.979 10.948 331 HZ2 LYS 39 1HZ LYS 39 3.971 -11.151 11.298 332 HZ3 LYS 39 2HZ LYS 39 3.531 -9.521 11.194 333 H GLY 40 H GLY 40 9.236 -12.895 6.964 334 HA2 GLY 40 2HA GLY 40 10.449 -14.818 6.418 335 HA3 GLY 40 1HA GLY 40 9.181 -15.285 5.298 336 H PHE 41 H PHE 41 9.591 -12.273 4.339 337 HA PHE 41 HA PHE 41 11.160 -13.027 2.063 338 HD1 PHE 41 HD1 PHE 41 10.268 -12.079 -0.384 339 HD2 PHE 41 HD2 PHE 41 11.610 -8.769 1.945 340 HE1 PHE 41 HE1 PHE 41 11.312 -11.097 -2.383 341 HE2 PHE 41 HE2 PHE 41 12.658 -7.788 -0.055 342 HZ PHE 41 HZ PHE 41 12.508 -8.950 -2.221 343 HB2 PHE 41 2HB PHE 41 9.258 -11.490 1.858 344 HB3 PHE 41 1HB PHE 41 10.081 -10.314 2.877 345 H ARG 42 H ARG 42 13.298 -12.983 1.901 346 HA ARG 42 HA ARG 42 14.865 -11.188 3.650 347 HE ARG 42 HE ARG 42 17.008 -12.625 5.441 348 HB2 ARG 42 2HB ARG 42 15.792 -13.715 2.262 349 HB3 ARG 42 1HB ARG 42 16.700 -12.768 3.433 350 HG2 ARG 42 2HG ARG 42 14.175 -14.331 3.975 351 HG3 ARG 42 1HG ARG 42 15.811 -14.787 4.450 352 HD2 ARG 42 2HD ARG 42 14.315 -12.338 5.398 353 HD3 ARG 42 1HD ARG 42 14.550 -13.822 6.321 354 HH11 ARG 42 1HH1 ARG 42 14.603 -12.584 7.914 355 HH12 ARG 42 2HH1 ARG 42 15.685 -11.952 9.099 356 HH21 ARG 42 1HH2 ARG 42 18.372 -11.825 6.953 357 HH22 ARG 42 2HH2 ARG 42 17.805 -11.513 8.557 358 H SER 43 H SER 43 16.921 -10.357 2.692 359 HA SER 43 HA SER 43 16.368 -9.305 0.039 360 HG SER 43 HG SER 43 16.613 -7.654 2.479 361 HB2 SER 43 2HB SER 43 18.530 -8.715 2.064 362 HB3 SER 43 1HB SER 43 18.551 -8.027 0.439 363 H SER 44 H SER 44 16.661 -10.877 -1.467 364 HA SER 44 HA SER 44 18.602 -12.881 -1.494 365 HG SER 44 HG SER 44 15.848 -13.452 -3.654 366 HB2 SER 44 2HB SER 44 17.182 -11.595 -3.841 367 HB3 SER 44 1HB SER 44 18.096 -13.099 -3.927 368 H MET 45 H MET 45 18.782 -9.590 -2.795 369 HA MET 45 HA MET 45 21.077 -9.902 -4.387 370 HB2 MET 45 2HB MET 45 21.283 -7.468 -4.297 371 HB3 MET 45 1HB MET 45 19.610 -7.948 -4.532 372 HG2 MET 45 2HG MET 45 19.190 -7.563 -2.137 373 HG3 MET 45 1HG MET 45 20.853 -7.015 -1.949 374 HE1 MET 45 3HE MET 45 20.891 -3.778 -4.167 375 HE2 MET 45 1HE MET 45 21.263 -5.406 -4.735 376 HE3 MET 45 2HE MET 45 21.841 -4.866 -3.158 377 H LYS 46 H LYS 46 20.765 -9.606 -0.943 378 HA LYS 46 HA LYS 46 23.710 -9.502 -0.660 379 HB2 LYS 46 2HB LYS 46 22.543 -7.519 0.262 380 HB3 LYS 46 1HB LYS 46 21.591 -8.569 1.298 381 HG2 LYS 46 2HG LYS 46 23.357 -7.541 2.578 382 HG3 LYS 46 1HG LYS 46 23.654 -9.277 2.454 383 HD2 LYS 46 2HD LYS 46 25.263 -8.857 0.635 384 HD3 LYS 46 1HD LYS 46 24.974 -7.121 0.791 385 HE2 LYS 46 2HE LYS 46 25.784 -7.221 3.119 386 HE3 LYS 46 1HE LYS 46 26.119 -8.941 2.917 387 HZ1 LYS 46 3HZ LYS 46 27.397 -6.708 1.431 388 HZ2 LYS 46 1HZ LYS 46 27.676 -8.350 1.129 389 HZ3 LYS 46 2HZ LYS 46 28.121 -7.677 2.615 390 H LEU 47 H LEU 47 21.105 -11.525 -0.473 391 HA LEU 47 HA LEU 47 20.560 -13.477 0.540 392 HG LEU 47 HG LEU 47 22.065 -15.413 2.379 393 HB2 LEU 47 2HB LEU 47 22.916 -14.026 -0.179 394 HB3 LEU 47 1HB LEU 47 23.448 -13.586 1.431 395 HD11 LEU 47 1HD1 LEU 47 21.089 -17.098 0.895 396 HD12 LEU 47 2HD1 LEU 47 21.512 -16.115 -0.507 397 HD13 LEU 47 3HD1 LEU 47 20.338 -15.519 0.666 398 HD21 LEU 47 3HD2 LEU 47 23.469 -17.258 1.639 399 HD22 LEU 47 1HD2 LEU 47 24.432 -15.793 1.830 400 HD23 LEU 47 2HD2 LEU 47 23.965 -16.338 0.220 401 H GLU 48 H GLU 48 20.523 -10.877 1.984 402 HA GLU 48 HA GLU 48 21.174 -11.401 4.741 403 HB2 GLU 48 2HB GLU 48 21.353 -9.143 3.725 404 HB3 GLU 48 1HB GLU 48 19.603 -9.107 3.541 405 HG2 GLU 48 2HG GLU 48 19.372 -9.282 6.000 406 HG3 GLU 48 1HG GLU 48 21.129 -9.216 6.143 Start of MODEL 2 1 HA MET 1 HA MET 1 2.510 -14.922 3.437 2 H1 MET 1 1H MET 1 3.079 -14.019 5.603 3 H2 MET 1 2H MET 1 1.720 -13.008 5.564 4 H3 MET 1 3H MET 1 2.965 -12.795 4.439 5 HB2 MET 1 2HB MET 1 0.490 -16.192 4.162 6 HB3 MET 1 1HB MET 1 1.736 -16.122 5.398 7 HG2 MET 1 2HG MET 1 0.499 -14.331 6.531 8 HG3 MET 1 1HG MET 1 -0.760 -14.438 5.303 9 HE1 MET 1 3HE MET 1 -2.113 -18.088 5.916 10 HE2 MET 1 1HE MET 1 -0.842 -17.596 4.798 11 HE3 MET 1 2HE MET 1 -2.302 -16.622 4.958 12 H ILE 2 H ILE 2 2.295 -12.598 2.423 13 HA ILE 2 HA ILE 2 -0.295 -11.424 2.303 14 HB ILE 2 HB ILE 2 1.766 -10.101 2.217 15 HG12 ILE 2 2HG1 ILE 2 0.109 -9.813 -0.305 16 HG13 ILE 2 1HG1 ILE 2 -0.351 -9.207 1.282 17 HG21 ILE 2 1HG2 ILE 2 3.137 -10.012 0.202 18 HG22 ILE 2 2HG2 ILE 2 2.162 -11.282 -0.536 19 HG23 ILE 2 3HG2 ILE 2 3.135 -11.636 0.891 20 HD11 ILE 2 3HD1 ILE 2 2.030 -8.328 -0.331 21 HD12 ILE 2 1HD1 ILE 2 1.596 -7.731 1.272 22 HD13 ILE 2 2HD1 ILE 2 0.527 -7.436 -0.102 23 H SER 3 H SER 3 -1.929 -11.933 1.025 24 HA SER 3 HA SER 3 -1.717 -13.712 -1.203 25 HG SER 3 HG SER 3 -4.413 -14.518 0.130 26 HB2 SER 3 2HB SER 3 -4.032 -11.929 -0.382 27 HB3 SER 3 1HB SER 3 -4.116 -13.271 -1.524 28 H ASN 4 H ASN 4 -2.032 -13.253 -3.427 29 HA ASN 4 HA ASN 4 -0.559 -11.099 -4.391 30 HB2 ASN 4 2HB ASN 4 -1.002 -13.214 -5.633 31 HB3 ASN 4 1HB ASN 4 -2.647 -12.661 -5.935 32 HD21 ASN 4 1HD2 ASN 4 -2.226 -12.799 -8.170 33 HD22 ASN 4 2HD2 ASN 4 -1.295 -11.592 -8.983 34 H ALA 5 H ALA 5 -4.046 -11.312 -3.870 35 HA ALA 5 HA ALA 5 -4.886 -8.994 -5.189 36 HB1 ALA 5 3HB ALA 5 -6.448 -10.614 -4.236 37 HB2 ALA 5 1HB ALA 5 -6.791 -8.984 -3.649 38 HB3 ALA 5 2HB ALA 5 -5.958 -10.141 -2.606 39 H LYS 6 H LYS 6 -3.516 -9.359 -1.926 40 HA LYS 6 HA LYS 6 -3.760 -6.629 -1.167 41 HB2 LYS 6 2HB LYS 6 -1.769 -8.697 -0.212 42 HB3 LYS 6 1HB LYS 6 -2.112 -7.167 0.580 43 HG2 LYS 6 2HG LYS 6 -4.420 -7.917 0.998 44 HG3 LYS 6 1HG LYS 6 -4.041 -9.461 0.230 45 HD2 LYS 6 2HD LYS 6 -2.289 -9.854 1.931 46 HD3 LYS 6 1HD LYS 6 -2.725 -8.335 2.713 47 HE2 LYS 6 2HE LYS 6 -4.989 -9.212 3.124 48 HE3 LYS 6 1HE LYS 6 -4.527 -10.732 2.361 49 HZ1 LYS 6 3HZ LYS 6 -2.795 -10.963 4.089 50 HZ2 LYS 6 1HZ LYS 6 -4.366 -10.965 4.717 51 HZ3 LYS 6 2HZ LYS 6 -3.403 -9.583 4.854 52 H ILE 7 H ILE 7 -1.149 -8.491 -2.698 53 HA ILE 7 HA ILE 7 0.809 -6.498 -2.849 54 HB ILE 7 HB ILE 7 0.249 -8.665 -4.891 55 HG12 ILE 7 2HG1 ILE 7 2.081 -8.685 -2.471 56 HG13 ILE 7 1HG1 ILE 7 0.546 -9.539 -2.593 57 HG21 ILE 7 1HG2 ILE 7 1.741 -6.936 -5.764 58 HG22 ILE 7 2HG2 ILE 7 2.624 -8.436 -5.486 59 HG23 ILE 7 3HG2 ILE 7 2.781 -7.097 -4.349 60 HD11 ILE 7 3HD1 ILE 7 2.990 -10.048 -4.278 61 HD12 ILE 7 1HD1 ILE 7 1.453 -10.910 -4.395 62 HD13 ILE 7 2HD1 ILE 7 2.426 -11.031 -2.927 63 H ALA 8 H ALA 8 -1.840 -7.249 -5.112 64 HA ALA 8 HA ALA 8 -1.393 -5.286 -7.036 65 HB1 ALA 8 3HB ALA 8 -3.083 -7.038 -7.271 66 HB2 ALA 8 1HB ALA 8 -3.784 -5.443 -7.536 67 HB3 ALA 8 2HB ALA 8 -4.056 -6.286 -6.010 68 H ARG 9 H ARG 9 -3.153 -5.033 -3.952 69 HA ARG 9 HA ARG 9 -3.902 -2.322 -4.195 70 HE ARG 9 HE ARG 9 -5.408 0.824 -1.858 71 HB2 ARG 9 2HB ARG 9 -4.873 -3.853 -2.516 72 HB3 ARG 9 1HB ARG 9 -3.335 -3.895 -1.668 73 HG2 ARG 9 2HG ARG 9 -4.755 -2.392 -0.489 74 HG3 ARG 9 1HG ARG 9 -3.540 -1.422 -1.322 75 HD2 ARG 9 2HD ARG 9 -5.211 -1.047 -3.157 76 HD3 ARG 9 1HD ARG 9 -6.414 -1.850 -2.146 77 HH11 ARG 9 1HH1 ARG 9 -6.888 -1.823 -0.214 78 HH12 ARG 9 2HH1 ARG 9 -7.556 -0.817 1.022 79 HH21 ARG 9 1HH2 ARG 9 -6.260 2.098 -0.242 80 HH22 ARG 9 2HH2 ARG 9 -7.184 1.363 1.025 81 H ILE 10 H ILE 10 -0.955 -3.832 -2.884 82 HA ILE 10 HA ILE 10 0.291 -1.520 -1.904 83 HB ILE 10 HB ILE 10 1.512 -4.025 -3.073 84 HG12 ILE 10 2HG1 ILE 10 1.195 -3.059 -0.215 85 HG13 ILE 10 1HG1 ILE 10 0.236 -4.317 -0.989 86 HG21 ILE 10 1HG2 ILE 10 3.641 -3.326 -2.048 87 HG22 ILE 10 2HG2 ILE 10 2.924 -1.771 -1.635 88 HG23 ILE 10 3HG2 ILE 10 3.131 -2.225 -3.326 89 HD11 ILE 10 3HD1 ILE 10 1.914 -5.276 0.459 90 HD12 ILE 10 1HD1 ILE 10 3.192 -4.435 -0.419 91 HD13 ILE 10 2HD1 ILE 10 2.249 -5.694 -1.221 92 H ASN 11 H ASN 11 0.356 -2.904 -5.189 93 HA ASN 11 HA ASN 11 2.039 -1.001 -6.383 94 HB2 ASN 11 2HB ASN 11 -0.244 -2.628 -7.511 95 HB3 ASN 11 1HB ASN 11 0.752 -1.576 -8.513 96 HD21 ASN 11 1HD2 ASN 11 0.675 -4.506 -6.643 97 HD22 ASN 11 2HD2 ASN 11 2.175 -5.136 -7.224 98 H GLU 12 H GLU 12 -1.433 -0.909 -5.738 99 HA GLU 12 HA GLU 12 -2.001 1.559 -7.001 100 HB2 GLU 12 2HB GLU 12 -3.766 0.017 -6.313 101 HB3 GLU 12 1HB GLU 12 -3.329 0.232 -4.624 102 HG2 GLU 12 2HG GLU 12 -3.876 2.696 -4.956 103 HG3 GLU 12 1HG GLU 12 -4.608 2.219 -6.485 104 H LEU 13 H LEU 13 -1.446 0.851 -3.545 105 HA LEU 13 HA LEU 13 -1.539 3.500 -2.636 106 HG LEU 13 HG LEU 13 -2.465 0.621 -1.656 107 HB2 LEU 13 2HB LEU 13 -0.084 1.141 -1.428 108 HB3 LEU 13 1HB LEU 13 -0.472 2.633 -0.591 109 HD11 LEU 13 1HD1 LEU 13 -1.325 -0.162 0.342 110 HD12 LEU 13 2HD1 LEU 13 -3.005 0.239 0.699 111 HD13 LEU 13 3HD1 LEU 13 -1.714 1.344 1.174 112 HD21 LEU 13 3HD2 LEU 13 -3.356 2.870 -1.860 113 HD22 LEU 13 1HD2 LEU 13 -2.937 3.213 -0.179 114 HD23 LEU 13 2HD2 LEU 13 -4.167 2.005 -0.555 115 H ALA 14 H ALA 14 1.241 1.543 -3.667 116 HA ALA 14 HA ALA 14 3.269 3.392 -3.034 117 HB1 ALA 14 3HB ALA 14 4.662 2.171 -4.641 118 HB2 ALA 14 1HB ALA 14 3.228 1.347 -5.261 119 HB3 ALA 14 2HB ALA 14 3.759 1.069 -3.602 120 H ALA 15 H ALA 15 1.325 2.997 -5.987 121 HA ALA 15 HA ALA 15 2.492 5.074 -7.496 122 HB1 ALA 15 3HB ALA 15 -0.366 4.099 -7.561 123 HB2 ALA 15 1HB ALA 15 0.982 3.386 -8.447 124 HB3 ALA 15 2HB ALA 15 0.448 5.024 -8.824 125 H LYS 16 H LYS 16 -0.366 5.101 -5.366 126 HA LYS 16 HA LYS 16 -1.016 7.807 -5.543 127 HB2 LYS 16 2HB LYS 16 -1.329 5.869 -3.244 128 HB3 LYS 16 1HB LYS 16 -2.022 7.483 -3.243 129 HG2 LYS 16 2HG LYS 16 -3.398 6.918 -5.172 130 HG3 LYS 16 1HG LYS 16 -2.673 5.308 -5.236 131 HD2 LYS 16 2HD LYS 16 -3.607 4.742 -3.086 132 HD3 LYS 16 1HD LYS 16 -4.192 6.391 -2.855 133 HE2 LYS 16 2HE LYS 16 -5.728 6.122 -4.729 134 HE3 LYS 16 1HE LYS 16 -5.116 4.495 -5.018 135 HZ1 LYS 16 3HZ LYS 16 -7.222 4.586 -3.741 136 HZ2 LYS 16 1HZ LYS 16 -6.394 5.346 -2.478 137 HZ3 LYS 16 2HZ LYS 16 -5.978 3.771 -2.936 138 H ALA 17 H ALA 17 1.208 6.184 -3.294 139 HA ALA 17 HA ALA 17 1.934 8.476 -1.813 140 HB1 ALA 17 3HB ALA 17 3.801 7.129 -0.999 141 HB2 ALA 17 1HB ALA 17 3.515 5.947 -2.275 142 HB3 ALA 17 2HB ALA 17 2.308 6.193 -1.013 143 H LYS 18 H LYS 18 3.464 6.912 -4.607 144 HA LYS 18 HA LYS 18 5.667 8.646 -4.855 145 HB2 LYS 18 2HB LYS 18 5.513 6.453 -5.965 146 HB3 LYS 18 1HB LYS 18 4.222 7.058 -6.998 147 HG2 LYS 18 2HG LYS 18 5.732 8.593 -8.073 148 HG3 LYS 18 1HG LYS 18 7.026 8.172 -6.951 149 HD2 LYS 18 2HD LYS 18 7.459 7.018 -8.991 150 HD3 LYS 18 1HD LYS 18 6.905 5.820 -7.825 151 HE2 LYS 18 2HE LYS 18 5.105 7.106 -9.876 152 HE3 LYS 18 1HE LYS 18 5.968 5.600 -10.156 153 HZ1 LYS 18 3HZ LYS 18 3.731 5.148 -9.467 154 HZ2 LYS 18 1HZ LYS 18 3.915 6.083 -8.073 155 HZ3 LYS 18 2HZ LYS 18 4.788 4.648 -8.248 156 H ALA 19 H ALA 19 2.363 8.873 -6.046 157 HA ALA 19 HA ALA 19 2.845 11.266 -7.595 158 HB1 ALA 19 3HB ALA 19 0.219 10.022 -6.777 159 HB2 ALA 19 1HB ALA 19 1.123 9.619 -8.239 160 HB3 ALA 19 2HB ALA 19 0.464 11.242 -8.029 161 H GLY 20 H GLY 20 1.885 10.516 -4.325 162 HA2 GLY 20 2HA GLY 20 1.879 12.041 -2.526 163 HA3 GLY 20 1HA GLY 20 1.802 13.370 -3.671 164 H VAL 21 H VAL 21 -0.441 10.989 -4.447 165 HA VAL 21 HA VAL 21 -2.626 12.667 -3.411 166 HB VAL 21 HB VAL 21 -4.047 11.519 -5.070 167 HG11 VAL 21 1HG1 VAL 21 -1.502 12.638 -6.257 168 HG12 VAL 21 2HG1 VAL 21 -2.883 13.579 -5.694 169 HG13 VAL 21 3HG1 VAL 21 -3.058 12.502 -7.079 170 HG21 VAL 21 3HG2 VAL 21 -3.027 10.036 -6.755 171 HG22 VAL 21 1HG2 VAL 21 -2.938 9.348 -5.133 172 HG23 VAL 21 2HG2 VAL 21 -1.507 10.079 -5.863 173 H ILE 22 H ILE 22 -1.179 10.644 -1.769 174 HA ILE 22 HA ILE 22 -3.345 8.718 -1.218 175 HB ILE 22 HB ILE 22 -1.098 7.773 -1.708 176 HG12 ILE 22 2HG1 ILE 22 -1.997 7.289 1.148 177 HG13 ILE 22 1HG1 ILE 22 -2.728 6.558 -0.276 178 HG21 ILE 22 1HG2 ILE 22 -0.270 9.149 0.849 179 HG22 ILE 22 2HG2 ILE 22 0.287 9.541 -0.781 180 HG23 ILE 22 3HG2 ILE 22 0.704 7.987 -0.056 181 HD11 ILE 22 3HD1 ILE 22 -0.589 5.452 -0.776 182 HD12 ILE 22 1HD1 ILE 22 -1.236 4.997 0.799 183 HD13 ILE 22 2HD1 ILE 22 0.094 6.148 0.693 184 H THR 23 H THR 23 -4.309 8.609 0.803 185 HA THR 23 HA THR 23 -3.839 10.837 2.624 186 HB THR 23 HB THR 23 -5.778 9.926 3.901 187 HG1 THR 23 HG1 THR 23 -6.945 8.197 2.954 188 HG21 THR 23 3HG2 THR 23 -7.487 10.432 2.209 189 HG22 THR 23 1HG2 THR 23 -6.263 10.326 0.945 190 HG23 THR 23 2HG2 THR 23 -6.162 11.595 2.167 191 H GLU 24 H GLU 24 -3.607 10.544 4.909 192 HA GLU 24 HA GLU 24 -1.496 8.953 5.714 193 HB2 GLU 24 2HB GLU 24 -3.729 10.079 7.420 194 HB3 GLU 24 1HB GLU 24 -2.176 9.512 8.024 195 HG2 GLU 24 2HG GLU 24 -2.477 11.760 6.039 196 HG3 GLU 24 1HG GLU 24 -2.400 11.995 7.782 197 H GLU 25 H GLU 25 -4.956 8.222 5.825 198 HA GLU 25 HA GLU 25 -4.741 5.907 7.450 199 HB2 GLU 25 2HB GLU 25 -6.837 7.218 7.101 200 HB3 GLU 25 1HB GLU 25 -6.925 6.580 5.464 201 HG2 GLU 25 2HG GLU 25 -7.334 4.385 6.231 202 HG3 GLU 25 1HG GLU 25 -6.863 4.792 7.880 203 H GLU 26 H GLU 26 -4.801 6.324 3.886 204 HA GLU 26 HA GLU 26 -4.537 3.525 3.353 205 HB2 GLU 26 2HB GLU 26 -3.964 5.941 1.630 206 HB3 GLU 26 1HB GLU 26 -3.773 4.289 1.062 207 HG2 GLU 26 2HG GLU 26 -6.238 3.994 1.760 208 HG3 GLU 26 1HG GLU 26 -6.284 5.757 1.781 209 H LYS 27 H LYS 27 -2.222 6.151 3.840 210 HA LYS 27 HA LYS 27 0.138 4.787 3.171 211 HB2 LYS 27 2HB LYS 27 -0.363 6.948 5.237 212 HB3 LYS 27 1HB LYS 27 1.242 6.382 4.789 213 HG2 LYS 27 2HG LYS 27 0.977 7.171 2.544 214 HG3 LYS 27 1HG LYS 27 -0.727 7.539 2.818 215 HD2 LYS 27 2HD LYS 27 0.652 9.565 2.852 216 HD3 LYS 27 1HD LYS 27 -0.115 9.280 4.414 217 HE2 LYS 27 2HE LYS 27 1.978 8.349 5.276 218 HE3 LYS 27 1HE LYS 27 2.741 8.592 3.705 219 HZ1 LYS 27 3HZ LYS 27 2.514 10.938 3.940 220 HZ2 LYS 27 1HZ LYS 27 3.239 10.348 5.349 221 HZ3 LYS 27 2HZ LYS 27 1.603 10.780 5.354 222 H ALA 28 H ALA 28 -1.599 4.957 6.277 223 HA ALA 28 HA ALA 28 0.057 3.227 7.748 224 HB1 ALA 28 3HB ALA 28 -1.650 4.618 8.791 225 HB2 ALA 28 1HB ALA 28 -1.891 2.926 9.219 226 HB3 ALA 28 2HB ALA 28 -2.920 3.684 8.002 227 H GLU 29 H GLU 29 -2.731 2.554 5.647 228 HA GLU 29 HA GLU 29 -2.854 -0.237 6.015 229 HB2 GLU 29 2HB GLU 29 -4.623 1.103 4.920 230 HB3 GLU 29 1HB GLU 29 -3.559 1.384 3.553 231 HG2 GLU 29 2HG GLU 29 -5.118 -0.315 2.952 232 HG3 GLU 29 1HG GLU 29 -3.532 -1.062 3.126 233 H GLN 30 H GLN 30 -0.974 1.746 3.751 234 HA GLN 30 HA GLN 30 0.177 -0.289 2.213 235 HB2 GLN 30 2HB GLN 30 0.295 2.176 1.746 236 HB3 GLN 30 1HB GLN 30 1.496 2.314 3.021 237 HG2 GLN 30 2HG GLN 30 2.971 0.787 1.765 238 HG3 GLN 30 1HG GLN 30 1.776 0.723 0.471 239 HE21 GLN 30 1HE2 GLN 30 4.513 1.646 0.321 240 HE22 GLN 30 2HE2 GLN 30 4.444 3.289 -0.193 241 H GLN 31 H GLN 31 1.419 1.291 5.160 242 HA GLN 31 HA GLN 31 3.693 -0.256 5.605 243 HB2 GLN 31 2HB GLN 31 3.248 1.719 6.919 244 HB3 GLN 31 1HB GLN 31 1.761 1.026 7.553 245 HG2 GLN 31 2HG GLN 31 3.075 -0.665 8.756 246 HG3 GLN 31 1HG GLN 31 4.557 0.060 8.134 247 HE21 GLN 31 1HE2 GLN 31 1.855 0.484 10.292 248 HE22 GLN 31 2HE2 GLN 31 2.538 1.776 11.212 249 H LYS 32 H LYS 32 0.357 -0.824 6.682 250 HA LYS 32 HA LYS 32 0.669 -3.182 8.118 251 HB2 LYS 32 2HB LYS 32 -1.402 -1.852 8.013 252 HB3 LYS 32 1HB LYS 32 -1.639 -2.347 6.343 253 HG2 LYS 32 2HG LYS 32 -1.776 -4.719 7.170 254 HG3 LYS 32 1HG LYS 32 -1.789 -4.069 8.812 255 HD2 LYS 32 2HD LYS 32 -3.808 -3.516 6.629 256 HD3 LYS 32 1HD LYS 32 -4.065 -4.484 8.081 257 HE2 LYS 32 2HE LYS 32 -3.859 -2.542 9.487 258 HE3 LYS 32 1HE LYS 32 -3.366 -1.545 8.117 259 HZ1 LYS 32 3HZ LYS 32 -6.029 -2.797 8.504 260 HZ2 LYS 32 1HZ LYS 32 -5.564 -1.910 7.141 261 HZ3 LYS 32 2HZ LYS 32 -5.661 -1.156 8.649 262 H LEU 33 H LEU 33 -0.122 -2.839 4.654 263 HA LEU 33 HA LEU 33 -0.144 -5.594 4.049 264 HG LEU 33 HG LEU 33 -1.916 -3.195 3.271 265 HB2 LEU 33 2HB LEU 33 0.344 -3.206 2.258 266 HB3 LEU 33 1HB LEU 33 0.063 -4.838 1.677 267 HD11 LEU 33 1HD1 LEU 33 -1.896 -3.908 0.335 268 HD12 LEU 33 2HD1 LEU 33 -1.577 -2.311 1.014 269 HD13 LEU 33 3HD1 LEU 33 -3.174 -3.040 1.189 270 HD21 LEU 33 3HD2 LEU 33 -3.500 -4.978 2.745 271 HD22 LEU 33 1HD2 LEU 33 -2.134 -5.603 3.669 272 HD23 LEU 33 2HD2 LEU 33 -2.226 -5.888 1.931 273 H ARG 34 H ARG 34 2.478 -3.187 3.851 274 HA ARG 34 HA ARG 34 4.365 -4.852 2.574 275 HE ARG 34 HE ARG 34 7.302 -2.153 1.731 276 HB2 ARG 34 2HB ARG 34 4.771 -2.470 4.391 277 HB3 ARG 34 1HB ARG 34 6.080 -3.277 3.538 278 HG2 ARG 34 2HG ARG 34 4.944 -2.767 1.392 279 HG3 ARG 34 1HG ARG 34 3.725 -1.863 2.292 280 HD2 ARG 34 2HD ARG 34 5.392 -0.347 1.393 281 HD3 ARG 34 1HD ARG 34 5.488 -0.380 3.154 282 HH11 ARG 34 1HH1 ARG 34 6.881 0.871 3.334 283 HH12 ARG 34 2HH1 ARG 34 8.581 1.103 3.551 284 HH21 ARG 34 1HH2 ARG 34 9.459 -1.833 2.006 285 HH22 ARG 34 2HH2 ARG 34 10.022 -0.407 2.811 286 H GLN 35 H GLN 35 3.681 -4.330 6.030 287 HA GLN 35 HA GLN 35 5.642 -6.067 7.051 288 HB2 GLN 35 2HB GLN 35 2.934 -5.247 8.092 289 HB3 GLN 35 1HB GLN 35 3.961 -6.364 8.982 290 HG2 GLN 35 2HG GLN 35 4.694 -3.547 8.197 291 HG3 GLN 35 1HG GLN 35 4.179 -4.074 9.799 292 HE21 GLN 35 1HE2 GLN 35 6.670 -2.813 9.013 293 HE22 GLN 35 2HE2 GLN 35 7.929 -3.901 9.472 294 H GLU 36 H GLU 36 2.220 -6.759 6.295 295 HA GLU 36 HA GLU 36 2.216 -9.510 6.723 296 HB2 GLU 36 2HB GLU 36 0.437 -7.597 5.728 297 HB3 GLU 36 1HB GLU 36 0.626 -8.713 4.387 298 HG2 GLU 36 2HG GLU 36 -0.089 -9.603 7.175 299 HG3 GLU 36 1HG GLU 36 -1.290 -9.147 5.971 300 H TYR 37 H TYR 37 3.334 -7.673 3.952 301 HA TYR 37 HA TYR 37 3.882 -9.795 2.180 302 HD1 TYR 37 HD1 TYR 37 4.003 -8.669 -0.633 303 HD2 TYR 37 HD2 TYR 37 7.456 -7.749 1.683 304 HE1 TYR 37 HE1 TYR 37 5.431 -9.182 -2.570 305 HE2 TYR 37 HE2 TYR 37 8.891 -8.263 -0.243 306 HH TYR 37 HH TYR 37 7.674 -8.636 -3.402 307 HB2 TYR 37 2HB TYR 37 3.812 -7.438 1.479 308 HB3 TYR 37 1HB TYR 37 5.238 -7.096 2.450 309 H LEU 38 H LEU 38 6.016 -8.096 4.486 310 HA LEU 38 HA LEU 38 8.332 -9.613 4.026 311 HG LEU 38 HG LEU 38 7.663 -6.630 4.682 312 HB2 LEU 38 2HB LEU 38 7.448 -8.217 6.559 313 HB3 LEU 38 1HB LEU 38 9.073 -8.800 6.248 314 HD11 LEU 38 1HD1 LEU 38 9.292 -5.121 5.722 315 HD12 LEU 38 2HD1 LEU 38 9.898 -6.458 6.700 316 HD13 LEU 38 3HD1 LEU 38 8.244 -5.884 6.917 317 HD21 LEU 38 3HD2 LEU 38 10.496 -7.662 4.476 318 HD22 LEU 38 1HD2 LEU 38 9.837 -6.274 3.609 319 HD23 LEU 38 2HD2 LEU 38 9.214 -7.891 3.285 320 H LYS 39 H LYS 39 5.615 -10.179 6.203 321 HA LYS 39 HA LYS 39 6.653 -12.326 7.683 322 HB2 LYS 39 2HB LYS 39 3.903 -11.363 7.011 323 HB3 LYS 39 1HB LYS 39 4.062 -12.969 7.703 324 HG2 LYS 39 2HG LYS 39 3.589 -11.207 9.378 325 HG3 LYS 39 1HG LYS 39 5.084 -12.094 9.686 326 HD2 LYS 39 2HD LYS 39 6.382 -10.249 8.733 327 HD3 LYS 39 1HD LYS 39 4.891 -9.371 8.385 328 HE2 LYS 39 2HE LYS 39 4.384 -9.205 10.737 329 HE3 LYS 39 1HE LYS 39 5.781 -10.201 11.147 330 HZ1 LYS 39 3HZ LYS 39 6.225 -7.850 11.487 331 HZ2 LYS 39 1HZ LYS 39 5.886 -7.520 9.867 332 HZ3 LYS 39 2HZ LYS 39 7.222 -8.471 10.273 333 H GLY 40 H GLY 40 7.646 -13.991 6.677 334 HA2 GLY 40 2HA GLY 40 7.473 -16.179 5.783 335 HA3 GLY 40 1HA GLY 40 5.997 -15.711 4.959 336 H PHE 41 H PHE 41 7.695 -13.191 4.136 337 HA PHE 41 HA PHE 41 8.394 -14.146 1.540 338 HD1 PHE 41 HD1 PHE 41 8.240 -12.609 -0.568 339 HD2 PHE 41 HD2 PHE 41 10.927 -10.548 2.022 340 HE1 PHE 41 HE1 PHE 41 9.549 -11.867 -2.514 341 HE2 PHE 41 HE2 PHE 41 12.237 -9.805 0.074 342 HZ PHE 41 HZ PHE 41 11.546 -10.463 -2.195 343 HB2 PHE 41 2HB PHE 41 7.652 -11.847 1.867 344 HB3 PHE 41 1HB PHE 41 9.022 -11.523 2.921 345 H ARG 42 H ARG 42 10.302 -13.175 4.367 346 HA ARG 42 HA ARG 42 12.774 -14.063 3.054 347 HE ARG 42 HE ARG 42 12.241 -10.654 6.486 348 HB2 ARG 42 2HB ARG 42 12.426 -12.716 5.746 349 HB3 ARG 42 1HB ARG 42 13.945 -12.997 4.905 350 HG2 ARG 42 2HG ARG 42 13.167 -11.499 3.085 351 HG3 ARG 42 1HG ARG 42 11.716 -11.160 4.030 352 HD2 ARG 42 2HD ARG 42 14.572 -10.553 4.807 353 HD3 ARG 42 1HD ARG 42 13.331 -9.385 4.354 354 HH11 ARG 42 1HH1 ARG 42 15.251 -9.066 5.964 355 HH12 ARG 42 2HH1 ARG 42 15.438 -8.620 7.619 356 HH21 ARG 42 1HH2 ARG 42 12.495 -10.091 8.618 357 HH22 ARG 42 2HH2 ARG 42 13.885 -9.188 9.111 358 H SER 43 H SER 43 13.969 -15.805 3.744 359 HA SER 43 HA SER 43 13.172 -17.196 6.210 360 HG SER 43 HG SER 43 12.720 -20.396 4.885 361 HB2 SER 43 2HB SER 43 11.998 -18.357 4.376 362 HB3 SER 43 1HB SER 43 13.533 -18.597 3.542 363 H SER 44 H SER 44 14.828 -18.301 7.252 364 HA SER 44 HA SER 44 17.510 -17.457 6.502 365 HG SER 44 HG SER 44 18.708 -17.681 9.520 366 HB2 SER 44 2HB SER 44 16.752 -17.278 8.860 367 HB3 SER 44 1HB SER 44 16.600 -19.033 8.928 368 H MET 45 H MET 45 18.315 -18.655 4.865 369 HA MET 45 HA MET 45 17.771 -21.447 4.565 370 HB2 MET 45 2HB MET 45 18.149 -19.946 2.643 371 HB3 MET 45 1HB MET 45 19.819 -19.725 3.146 372 HG2 MET 45 2HG MET 45 19.606 -21.329 1.305 373 HG3 MET 45 1HG MET 45 20.286 -22.069 2.751 374 HE1 MET 45 3HE MET 45 17.073 -21.734 0.480 375 HE2 MET 45 1HE MET 45 16.513 -21.162 2.050 376 HE3 MET 45 2HE MET 45 15.906 -22.684 1.400 377 H LYS 46 H LYS 46 18.500 -22.555 6.342 378 HA LYS 46 HA LYS 46 21.425 -22.602 6.799 379 HB2 LYS 46 2HB LYS 46 20.932 -23.396 9.069 380 HB3 LYS 46 1HB LYS 46 20.156 -21.848 8.756 381 HG2 LYS 46 2HG LYS 46 18.024 -22.967 8.384 382 HG3 LYS 46 1HG LYS 46 18.790 -24.537 8.633 383 HD2 LYS 46 2HD LYS 46 19.346 -23.890 10.941 384 HD3 LYS 46 1HD LYS 46 18.568 -22.326 10.686 385 HE2 LYS 46 2HE LYS 46 17.081 -23.860 11.872 386 HE3 LYS 46 1HE LYS 46 16.429 -23.456 10.285 387 HZ1 LYS 46 3HZ LYS 46 17.862 -25.957 11.002 388 HZ2 LYS 46 1HZ LYS 46 17.295 -25.575 9.455 389 HZ3 LYS 46 2HZ LYS 46 16.202 -25.806 10.723 390 H LEU 47 H LEU 47 21.806 -24.915 8.106 391 HA LEU 47 HA LEU 47 20.372 -27.092 6.819 392 HG LEU 47 HG LEU 47 24.046 -27.407 7.503 393 HB2 LEU 47 2HB LEU 47 22.277 -28.177 5.875 394 HB3 LEU 47 1HB LEU 47 22.221 -26.544 5.245 395 HD11 LEU 47 1HD1 LEU 47 25.848 -27.407 5.847 396 HD12 LEU 47 2HD1 LEU 47 24.675 -27.097 4.564 397 HD13 LEU 47 3HD1 LEU 47 24.620 -28.616 5.461 398 HD21 LEU 47 3HD2 LEU 47 25.221 -25.315 7.032 399 HD22 LEU 47 1HD2 LEU 47 23.538 -25.004 7.462 400 HD23 LEU 47 2HD2 LEU 47 24.046 -24.923 5.775 401 H GLU 48 H GLU 48 21.169 -29.248 7.662 402 HA GLU 48 HA GLU 48 21.554 -29.047 10.538 403 HB2 GLU 48 2HB GLU 48 21.214 -31.579 10.414 404 HB3 GLU 48 1HB GLU 48 19.855 -30.565 9.954 405 HG2 GLU 48 2HG GLU 48 20.475 -30.900 7.572 406 HG3 GLU 48 1HG GLU 48 21.739 -32.008 8.098 Start of MODEL 3 1 HA MET 1 HA MET 1 2.559 -15.026 3.951 2 H1 MET 1 1H MET 1 2.027 -17.344 4.155 3 H2 MET 1 2H MET 1 0.876 -17.241 2.917 4 H3 MET 1 3H MET 1 0.631 -16.420 4.378 5 HB2 MET 1 2HB MET 1 3.621 -15.072 1.742 6 HB3 MET 1 1HB MET 1 3.797 -16.621 2.555 7 HG2 MET 1 2HG MET 1 1.767 -16.000 0.413 8 HG3 MET 1 1HG MET 1 3.284 -16.864 0.169 9 HE1 MET 1 3HE MET 1 2.746 -20.175 2.113 10 HE2 MET 1 1HE MET 1 3.546 -18.717 2.698 11 HE3 MET 1 2HE MET 1 3.799 -19.259 1.037 12 H ILE 2 H ILE 2 2.538 -13.269 2.039 13 HA ILE 2 HA ILE 2 -0.078 -12.154 2.102 14 HB ILE 2 HB ILE 2 1.939 -10.756 2.139 15 HG12 ILE 2 2HG1 ILE 2 0.210 -10.207 -0.297 16 HG13 ILE 2 1HG1 ILE 2 -0.218 -9.802 1.362 17 HG21 ILE 2 1HG2 ILE 2 3.258 -10.373 0.117 18 HG22 ILE 2 2HG2 ILE 2 2.312 -11.587 -0.742 19 HG23 ILE 2 3HG2 ILE 2 3.334 -12.063 0.614 20 HD11 ILE 2 3HD1 ILE 2 1.704 -8.280 1.468 21 HD12 ILE 2 1HD1 ILE 2 0.577 -7.854 0.180 22 HD13 ILE 2 2HD1 ILE 2 2.091 -8.672 -0.208 23 H SER 3 H SER 3 -1.690 -12.157 0.642 24 HA SER 3 HA SER 3 -1.512 -13.757 -1.760 25 HG SER 3 HG SER 3 -4.959 -13.554 -2.159 26 HB2 SER 3 2HB SER 3 -3.591 -13.793 -0.483 27 HB3 SER 3 1HB SER 3 -3.767 -12.048 -0.657 28 H ASN 4 H ASN 4 -1.656 -13.029 -3.896 29 HA ASN 4 HA ASN 4 -0.293 -10.675 -4.539 30 HB2 ASN 4 2HB ASN 4 -2.182 -12.238 -6.318 31 HB3 ASN 4 1HB ASN 4 -0.942 -11.108 -6.861 32 HD21 ASN 4 1HD2 ASN 4 -1.583 -14.271 -5.629 33 HD22 ASN 4 2HD2 ASN 4 0.013 -14.899 -5.845 34 H ALA 5 H ALA 5 -3.680 -11.171 -3.921 35 HA ALA 5 HA ALA 5 -4.788 -8.873 -5.066 36 HB1 ALA 5 3HB ALA 5 -5.573 -10.218 -2.474 37 HB2 ALA 5 1HB ALA 5 -6.138 -10.663 -4.085 38 HB3 ALA 5 2HB ALA 5 -6.571 -9.096 -3.401 39 H LYS 6 H LYS 6 -3.281 -9.291 -1.858 40 HA LYS 6 HA LYS 6 -3.579 -6.559 -1.081 41 HB2 LYS 6 2HB LYS 6 -1.743 -8.736 -0.056 42 HB3 LYS 6 1HB LYS 6 -1.892 -7.148 0.687 43 HG2 LYS 6 2HG LYS 6 -4.277 -7.588 1.114 44 HG3 LYS 6 1HG LYS 6 -4.093 -9.198 0.413 45 HD2 LYS 6 2HD LYS 6 -2.463 -9.774 2.152 46 HD3 LYS 6 1HD LYS 6 -2.619 -8.156 2.842 47 HE2 LYS 6 2HE LYS 6 -4.974 -8.581 3.343 48 HE3 LYS 6 1HE LYS 6 -4.856 -10.181 2.613 49 HZ1 LYS 6 3HZ LYS 6 -3.232 -10.774 4.331 50 HZ2 LYS 6 1HZ LYS 6 -4.718 -10.329 5.002 51 HZ3 LYS 6 2HZ LYS 6 -3.418 -9.253 5.045 52 H ILE 7 H ILE 7 -1.007 -8.408 -2.655 53 HA ILE 7 HA ILE 7 1.003 -6.457 -2.684 54 HB ILE 7 HB ILE 7 0.410 -8.552 -4.795 55 HG12 ILE 7 2HG1 ILE 7 2.281 -8.610 -2.404 56 HG13 ILE 7 1HG1 ILE 7 0.763 -9.492 -2.541 57 HG21 ILE 7 1HG2 ILE 7 1.874 -6.805 -5.675 58 HG22 ILE 7 2HG2 ILE 7 2.770 -8.307 -5.443 59 HG23 ILE 7 3HG2 ILE 7 2.945 -6.985 -4.286 60 HD11 ILE 7 3HD1 ILE 7 3.214 -9.903 -4.242 61 HD12 ILE 7 1HD1 ILE 7 1.691 -10.781 -4.402 62 HD13 ILE 7 2HD1 ILE 7 2.655 -10.947 -2.935 63 H ALA 8 H ALA 8 -1.579 -7.072 -5.073 64 HA ALA 8 HA ALA 8 -1.005 -4.996 -6.854 65 HB1 ALA 8 3HB ALA 8 -2.622 -6.789 -7.321 66 HB2 ALA 8 1HB ALA 8 -3.318 -5.192 -7.599 67 HB3 ALA 8 2HB ALA 8 -3.729 -6.094 -6.140 68 H ARG 9 H ARG 9 -2.969 -4.992 -3.902 69 HA ARG 9 HA ARG 9 -3.831 -2.322 -3.983 70 HE ARG 9 HE ARG 9 -5.222 -0.194 -0.071 71 HB2 ARG 9 2HB ARG 9 -4.776 -3.957 -2.428 72 HB3 ARG 9 1HB ARG 9 -3.237 -4.082 -1.589 73 HG2 ARG 9 2HG ARG 9 -4.792 -2.721 -0.320 74 HG3 ARG 9 1HG ARG 9 -3.435 -1.741 -0.879 75 HD2 ARG 9 2HD ARG 9 -4.820 -0.882 -2.719 76 HD3 ARG 9 1HD ARG 9 -6.178 -1.858 -2.147 77 HH11 ARG 9 1HH1 ARG 9 -7.025 -0.036 -3.012 78 HH12 ARG 9 2HH1 ARG 9 -7.917 1.350 -2.499 79 HH21 ARG 9 1HH2 ARG 9 -6.360 1.566 0.553 80 HH22 ARG 9 2HH2 ARG 9 -7.548 2.253 -0.511 81 H ILE 10 H ILE 10 -0.899 -3.740 -2.504 82 HA ILE 10 HA ILE 10 0.251 -1.387 -1.523 83 HB ILE 10 HB ILE 10 1.647 -3.831 -2.656 84 HG12 ILE 10 2HG1 ILE 10 1.058 -3.053 0.218 85 HG13 ILE 10 1HG1 ILE 10 0.151 -4.244 -0.708 86 HG21 ILE 10 1HG2 ILE 10 3.621 -3.085 -1.370 87 HG22 ILE 10 2HG2 ILE 10 2.780 -1.585 -0.971 88 HG23 ILE 10 3HG2 ILE 10 3.187 -1.951 -2.648 89 HD11 ILE 10 3HD1 ILE 10 1.739 -5.292 0.811 90 HD12 ILE 10 1HD1 ILE 10 3.067 -4.437 0.028 91 HD13 ILE 10 2HD1 ILE 10 2.143 -5.641 -0.869 92 H ASN 11 H ASN 11 0.559 -2.881 -4.737 93 HA ASN 11 HA ASN 11 2.287 -1.007 -5.896 94 HB2 ASN 11 2HB ASN 11 0.142 -2.735 -7.159 95 HB3 ASN 11 1HB ASN 11 1.314 -1.800 -8.085 96 HD21 ASN 11 1HD2 ASN 11 0.887 -4.700 -7.938 97 HD22 ASN 11 2HD2 ASN 11 2.409 -5.363 -7.465 98 H GLU 12 H GLU 12 -1.195 -0.874 -5.382 99 HA GLU 12 HA GLU 12 -1.600 1.470 -6.991 100 HB2 GLU 12 2HB GLU 12 -3.455 -0.076 -6.480 101 HB3 GLU 12 1HB GLU 12 -3.334 0.342 -4.774 102 HG2 GLU 12 2HG GLU 12 -3.877 2.685 -5.338 103 HG3 GLU 12 1HG GLU 12 -4.068 2.212 -7.024 104 H LEU 13 H LEU 13 -1.385 0.915 -3.470 105 HA LEU 13 HA LEU 13 -1.614 3.606 -2.686 106 HG LEU 13 HG LEU 13 -2.554 0.814 -1.623 107 HB2 LEU 13 2HB LEU 13 -0.163 1.341 -1.304 108 HB3 LEU 13 1HB LEU 13 -0.601 2.867 -0.555 109 HD11 LEU 13 1HD1 LEU 13 -1.416 0.049 0.399 110 HD12 LEU 13 2HD1 LEU 13 -3.116 0.405 0.710 111 HD13 LEU 13 3HD1 LEU 13 -1.870 1.543 1.224 112 HD21 LEU 13 3HD2 LEU 13 -3.440 3.079 -1.821 113 HD22 LEU 13 1HD2 LEU 13 -3.048 3.393 -0.127 114 HD23 LEU 13 2HD2 LEU 13 -4.273 2.193 -0.544 115 H ALA 14 H ALA 14 1.208 1.685 -3.612 116 HA ALA 14 HA ALA 14 3.193 3.602 -3.012 117 HB1 ALA 14 3HB ALA 14 4.641 2.332 -4.506 118 HB2 ALA 14 1HB ALA 14 3.247 1.490 -5.178 119 HB3 ALA 14 2HB ALA 14 3.700 1.238 -3.495 120 H ALA 15 H ALA 15 1.400 2.949 -6.038 121 HA ALA 15 HA ALA 15 2.500 5.016 -7.590 122 HB1 ALA 15 3HB ALA 15 -0.292 3.864 -7.728 123 HB2 ALA 15 1HB ALA 15 1.137 3.197 -8.520 124 HB3 ALA 15 2HB ALA 15 0.519 4.779 -9.000 125 H LYS 16 H LYS 16 -0.304 4.998 -5.419 126 HA LYS 16 HA LYS 16 -1.108 7.670 -5.707 127 HB2 LYS 16 2HB LYS 16 -1.289 5.786 -3.346 128 HB3 LYS 16 1HB LYS 16 -2.030 7.380 -3.362 129 HG2 LYS 16 2HG LYS 16 -3.468 6.764 -5.182 130 HG3 LYS 16 1HG LYS 16 -2.649 5.210 -5.363 131 HD2 LYS 16 2HD LYS 16 -3.457 4.469 -3.218 132 HD3 LYS 16 1HD LYS 16 -4.107 6.069 -2.857 133 HE2 LYS 16 2HE LYS 16 -5.774 5.852 -4.568 134 HE3 LYS 16 1HE LYS 16 -5.046 4.363 -5.165 135 HZ1 LYS 16 3HZ LYS 16 -6.070 4.573 -2.399 136 HZ2 LYS 16 1HZ LYS 16 -5.781 3.178 -3.319 137 HZ3 LYS 16 2HZ LYS 16 -7.090 4.181 -3.688 138 H ALA 17 H ALA 17 1.352 6.209 -3.614 139 HA ALA 17 HA ALA 17 2.053 8.535 -2.168 140 HB1 ALA 17 3HB ALA 17 2.700 6.273 -1.462 141 HB2 ALA 17 1HB ALA 17 4.097 7.346 -1.570 142 HB3 ALA 17 2HB ALA 17 3.794 6.159 -2.839 143 H LYS 18 H LYS 18 3.334 7.160 -5.186 144 HA LYS 18 HA LYS 18 5.331 9.094 -5.674 145 HB2 LYS 18 2HB LYS 18 3.712 7.471 -7.656 146 HB3 LYS 18 1HB LYS 18 5.190 8.348 -8.034 147 HG2 LYS 18 2HG LYS 18 6.472 6.908 -6.564 148 HG3 LYS 18 1HG LYS 18 5.001 6.082 -6.047 149 HD2 LYS 18 2HD LYS 18 6.179 4.734 -7.695 150 HD3 LYS 18 1HD LYS 18 4.644 5.295 -8.358 151 HE2 LYS 18 2HE LYS 18 6.375 5.504 -10.034 152 HE3 LYS 18 1HE LYS 18 5.848 7.109 -9.530 153 HZ1 LYS 18 3HZ LYS 18 8.245 6.987 -9.710 154 HZ2 LYS 18 1HZ LYS 18 8.303 5.722 -8.592 155 HZ3 LYS 18 2HZ LYS 18 7.796 7.258 -8.107 156 H ALA 19 H ALA 19 1.889 9.013 -6.488 157 HA ALA 19 HA ALA 19 1.973 11.548 -7.888 158 HB1 ALA 19 3HB ALA 19 -0.410 9.916 -7.010 159 HB2 ALA 19 1HB ALA 19 0.410 9.776 -8.563 160 HB3 ALA 19 2HB ALA 19 -0.430 11.268 -8.144 161 H GLY 20 H GLY 20 1.892 10.650 -4.643 162 HA2 GLY 20 2HA GLY 20 1.765 11.932 -2.734 163 HA3 GLY 20 1HA GLY 20 1.545 13.345 -3.748 164 H VAL 21 H VAL 21 -0.756 11.023 -4.516 165 HA VAL 21 HA VAL 21 -2.833 12.642 -3.261 166 HB VAL 21 HB VAL 21 -4.410 11.429 -4.679 167 HG11 VAL 21 1HG1 VAL 21 -1.966 12.318 -6.225 168 HG12 VAL 21 2HG1 VAL 21 -3.241 13.374 -5.614 169 HG13 VAL 21 3HG1 VAL 21 -3.607 12.179 -6.862 170 HG21 VAL 21 3HG2 VAL 21 -3.639 9.750 -6.297 171 HG22 VAL 21 1HG2 VAL 21 -3.358 9.222 -4.638 172 HG23 VAL 21 2HG2 VAL 21 -2.015 9.830 -5.611 173 H ILE 22 H ILE 22 -1.110 10.030 -2.269 174 HA ILE 22 HA ILE 22 -3.186 8.378 -1.178 175 HB ILE 22 HB ILE 22 -0.959 7.478 -1.718 176 HG12 ILE 22 2HG1 ILE 22 -1.583 7.258 1.241 177 HG13 ILE 22 1HG1 ILE 22 -2.403 6.357 -0.029 178 HG21 ILE 22 1HG2 ILE 22 0.021 9.135 0.609 179 HG22 ILE 22 2HG2 ILE 22 0.403 9.395 -1.092 180 HG23 ILE 22 3HG2 ILE 22 0.968 7.938 -0.277 181 HD11 ILE 22 3HD1 ILE 22 0.527 6.166 0.645 182 HD12 ILE 22 1HD1 ILE 22 -0.315 5.250 -0.606 183 HD13 ILE 22 2HD1 ILE 22 -0.723 5.006 1.092 184 H THR 23 H THR 23 -4.216 8.536 0.753 185 HA THR 23 HA THR 23 -3.728 10.868 2.413 186 HB THR 23 HB THR 23 -5.691 10.140 3.715 187 HG1 THR 23 HG1 THR 23 -6.149 8.065 1.855 188 HG21 THR 23 3HG2 THR 23 -7.364 10.400 1.945 189 HG22 THR 23 1HG2 THR 23 -6.129 10.075 0.728 190 HG23 THR 23 2HG2 THR 23 -6.021 11.522 1.729 191 H GLU 24 H GLU 24 -3.703 10.684 4.787 192 HA GLU 24 HA GLU 24 -1.460 9.344 5.707 193 HB2 GLU 24 2HB GLU 24 -3.800 10.227 7.407 194 HB3 GLU 24 1HB GLU 24 -2.130 10.035 7.925 195 HG2 GLU 24 2HG GLU 24 -3.156 12.077 5.956 196 HG3 GLU 24 1HG GLU 24 -2.701 12.384 7.626 197 H GLU 25 H GLU 25 -4.870 8.367 5.963 198 HA GLU 25 HA GLU 25 -4.433 6.060 7.545 199 HB2 GLU 25 2HB GLU 25 -6.638 7.178 7.239 200 HB3 GLU 25 1HB GLU 25 -6.690 6.570 5.591 201 HG2 GLU 25 2HG GLU 25 -6.754 4.289 6.388 202 HG3 GLU 25 1HG GLU 25 -6.558 4.836 8.054 203 H GLU 26 H GLU 26 -4.715 6.480 4.011 204 HA GLU 26 HA GLU 26 -4.366 3.758 3.327 205 HB2 GLU 26 2HB GLU 26 -3.730 6.265 1.749 206 HB3 GLU 26 1HB GLU 26 -3.716 4.640 1.074 207 HG2 GLU 26 2HG GLU 26 -6.087 4.396 1.540 208 HG3 GLU 26 1HG GLU 26 -6.119 5.987 2.299 209 H LYS 27 H LYS 27 -2.026 6.331 3.982 210 HA LYS 27 HA LYS 27 0.323 5.000 3.186 211 HB2 LYS 27 2HB LYS 27 -0.083 6.969 5.451 212 HB3 LYS 27 1HB LYS 27 1.485 6.475 4.825 213 HG2 LYS 27 2HG LYS 27 0.965 7.459 2.665 214 HG3 LYS 27 1HG LYS 27 -0.649 7.892 3.233 215 HD2 LYS 27 2HD LYS 27 0.381 9.329 4.969 216 HD3 LYS 27 1HD LYS 27 1.973 8.939 4.314 217 HE2 LYS 27 2HE LYS 27 1.325 9.939 2.166 218 HE3 LYS 27 1HE LYS 27 -0.261 10.333 2.830 219 HZ1 LYS 27 3HZ LYS 27 0.848 11.733 4.481 220 HZ2 LYS 27 1HZ LYS 27 1.174 12.246 2.902 221 HZ3 LYS 27 2HZ LYS 27 2.346 11.393 3.774 222 H ALA 28 H ALA 28 -1.247 5.118 6.391 223 HA ALA 28 HA ALA 28 0.428 3.294 7.712 224 HB1 ALA 28 3HB ALA 28 -1.176 4.771 8.856 225 HB2 ALA 28 1HB ALA 28 -1.371 3.088 9.346 226 HB3 ALA 28 2HB ALA 28 -2.509 3.815 8.211 227 H GLU 29 H GLU 29 -2.483 2.785 5.754 228 HA GLU 29 HA GLU 29 -2.807 0.034 6.148 229 HB2 GLU 29 2HB GLU 29 -4.508 1.359 5.044 230 HB3 GLU 29 1HB GLU 29 -3.417 1.729 3.717 231 HG2 GLU 29 2HG GLU 29 -3.424 -0.577 3.002 232 HG3 GLU 29 1HG GLU 29 -4.388 -1.041 4.402 233 H GLN 30 H GLN 30 -0.895 1.749 3.669 234 HA GLN 30 HA GLN 30 0.107 -0.481 2.320 235 HB2 GLN 30 2HB GLN 30 0.363 1.772 1.443 236 HB3 GLN 30 1HB GLN 30 1.411 2.213 2.784 237 HG2 GLN 30 2HG GLN 30 3.120 0.704 2.013 238 HG3 GLN 30 1HG GLN 30 2.063 0.085 0.749 239 HE21 GLN 30 1HE2 GLN 30 2.206 3.471 1.562 240 HE22 GLN 30 2HE2 GLN 30 3.007 3.976 0.123 241 H GLN 31 H GLN 31 1.456 1.216 5.155 242 HA GLN 31 HA GLN 31 3.747 -0.350 5.527 243 HB2 GLN 31 2HB GLN 31 1.988 1.062 7.544 244 HB3 GLN 31 1HB GLN 31 3.525 0.314 7.958 245 HG2 GLN 31 2HG GLN 31 4.681 1.816 6.415 246 HG3 GLN 31 1HG GLN 31 3.142 2.560 5.984 247 HE21 GLN 31 1HE2 GLN 31 5.597 3.664 7.244 248 HE22 GLN 31 2HE2 GLN 31 5.048 4.420 8.698 249 H LYS 32 H LYS 32 0.488 -0.789 6.880 250 HA LYS 32 HA LYS 32 0.886 -3.148 8.310 251 HB2 LYS 32 2HB LYS 32 -1.146 -1.819 8.494 252 HB3 LYS 32 1HB LYS 32 -1.563 -2.166 6.823 253 HG2 LYS 32 2HG LYS 32 -1.855 -4.535 7.388 254 HG3 LYS 32 1HG LYS 32 -1.436 -4.183 9.066 255 HD2 LYS 32 2HD LYS 32 -3.863 -4.324 8.782 256 HD3 LYS 32 1HD LYS 32 -3.377 -2.694 9.246 257 HE2 LYS 32 2HE LYS 32 -3.520 -1.997 6.886 258 HE3 LYS 32 1HE LYS 32 -4.043 -3.623 6.444 259 HZ1 LYS 32 3HZ LYS 32 -5.990 -3.315 7.869 260 HZ2 LYS 32 1HZ LYS 32 -5.923 -2.148 6.647 261 HZ3 LYS 32 2HZ LYS 32 -5.492 -1.742 8.229 262 H LEU 33 H LEU 33 -0.163 -2.774 4.916 263 HA LEU 33 HA LEU 33 -0.366 -5.513 4.318 264 HG LEU 33 HG LEU 33 -1.989 -2.968 3.616 265 HB2 LEU 33 2HB LEU 33 0.203 -3.175 2.495 266 HB3 LEU 33 1HB LEU 33 -0.235 -4.782 1.945 267 HD11 LEU 33 1HD1 LEU 33 -2.168 -3.716 0.696 268 HD12 LEU 33 2HD1 LEU 33 -1.723 -2.137 1.343 269 HD13 LEU 33 3HD1 LEU 33 -3.351 -2.764 1.595 270 HD21 LEU 33 3HD2 LEU 33 -3.751 -4.622 3.184 271 HD22 LEU 33 1HD2 LEU 33 -2.413 -5.327 4.089 272 HD23 LEU 33 2HD2 LEU 33 -2.583 -5.657 2.367 273 H ARG 34 H ARG 34 2.403 -3.317 4.212 274 HA ARG 34 HA ARG 34 4.172 -5.079 2.879 275 HE ARG 34 HE ARG 34 7.396 -2.484 3.355 276 HB2 ARG 34 2HB ARG 34 4.669 -2.773 4.760 277 HB3 ARG 34 1HB ARG 34 5.974 -3.676 3.998 278 HG2 ARG 34 2HG ARG 34 5.047 -3.086 1.780 279 HG3 ARG 34 1HG ARG 34 3.811 -2.117 2.585 280 HD2 ARG 34 2HD ARG 34 5.641 -0.714 1.795 281 HD3 ARG 34 1HD ARG 34 5.555 -0.698 3.555 282 HH11 ARG 34 1HH1 ARG 34 7.013 0.122 1.118 283 HH12 ARG 34 2HH1 ARG 34 8.711 0.220 0.790 284 HH21 ARG 34 1HH2 ARG 34 9.554 -2.353 2.898 285 HH22 ARG 34 2HH2 ARG 34 10.132 -1.145 1.798 286 H GLN 35 H GLN 35 3.206 -4.812 6.260 287 HA GLN 35 HA GLN 35 5.102 -6.702 7.251 288 HB2 GLN 35 2HB GLN 35 2.361 -6.001 8.352 289 HB3 GLN 35 1HB GLN 35 3.616 -6.885 9.211 290 HG2 GLN 35 2HG GLN 35 3.633 -3.995 8.374 291 HG3 GLN 35 1HG GLN 35 3.656 -4.653 10.009 292 HE21 GLN 35 1HE2 GLN 35 5.599 -5.576 10.786 293 HE22 GLN 35 2HE2 GLN 35 7.118 -5.232 10.043 294 H GLU 36 H GLU 36 1.791 -6.993 5.984 295 HA GLU 36 HA GLU 36 1.454 -9.766 6.203 296 HB2 GLU 36 2HB GLU 36 0.538 -7.968 3.937 297 HB3 GLU 36 1HB GLU 36 -0.093 -9.571 4.287 298 HG2 GLU 36 2HG GLU 36 -0.330 -7.136 6.050 299 HG3 GLU 36 1HG GLU 36 -1.605 -7.841 5.058 300 H TYR 37 H TYR 37 3.099 -7.828 3.753 301 HA TYR 37 HA TYR 37 3.839 -9.883 1.987 302 HD1 TYR 37 HD2 TYR 37 4.348 -9.080 -0.529 303 HD2 TYR 37 HD1 TYR 37 7.532 -7.601 1.886 304 HE1 TYR 37 HE2 TYR 37 5.943 -9.593 -2.327 305 HE2 TYR 37 HE1 TYR 37 9.133 -8.108 0.089 306 HH TYR 37 HH TYR 37 9.378 -9.421 -1.863 307 HB2 TYR 37 2HB TYR 37 3.991 -7.467 1.458 308 HB3 TYR 37 1HB TYR 37 5.313 -7.305 2.608 309 H LEU 38 H LEU 38 5.617 -8.480 4.748 310 HA LEU 38 HA LEU 38 7.904 -10.127 4.461 311 HG LEU 38 HG LEU 38 7.520 -7.136 4.988 312 HB2 LEU 38 2HB LEU 38 6.872 -8.618 6.865 313 HB3 LEU 38 1HB LEU 38 8.445 -9.391 6.780 314 HD11 LEU 38 1HD1 LEU 38 9.128 -5.760 6.226 315 HD12 LEU 38 2HD1 LEU 38 9.456 -7.116 7.308 316 HD13 LEU 38 3HD1 LEU 38 7.854 -6.376 7.280 317 HD21 LEU 38 3HD2 LEU 38 9.105 -8.585 3.852 318 HD22 LEU 38 1HD2 LEU 38 10.208 -8.495 5.227 319 HD23 LEU 38 2HD2 LEU 38 9.872 -7.053 4.266 320 H LYS 39 H LYS 39 4.797 -10.838 5.770 321 HA LYS 39 HA LYS 39 5.445 -12.942 7.518 322 HB2 LYS 39 2HB LYS 39 3.034 -12.560 5.729 323 HB3 LYS 39 1HB LYS 39 3.170 -13.868 6.897 324 HG2 LYS 39 2HG LYS 39 3.340 -12.240 8.714 325 HG3 LYS 39 1HG LYS 39 3.221 -10.920 7.549 326 HD2 LYS 39 2HD LYS 39 0.979 -11.658 6.921 327 HD3 LYS 39 1HD LYS 39 1.106 -13.027 8.029 328 HE2 LYS 39 2HE LYS 39 1.246 -11.516 9.927 329 HE3 LYS 39 1HE LYS 39 1.224 -10.119 8.851 330 HZ1 LYS 39 3HZ LYS 39 -0.977 -12.092 9.147 331 HZ2 LYS 39 1HZ LYS 39 -1.000 -10.722 8.154 332 HZ3 LYS 39 2HZ LYS 39 -0.948 -10.547 9.835 333 H GLY 40 H GLY 40 7.131 -14.171 6.764 334 HA2 GLY 40 2HA GLY 40 7.741 -16.261 5.792 335 HA3 GLY 40 1HA GLY 40 6.543 -16.001 4.532 336 H PHE 41 H PHE 41 7.219 -13.414 3.731 337 HA PHE 41 HA PHE 41 9.501 -13.980 2.071 338 HD1 PHE 41 HD1 PHE 41 5.723 -13.098 1.927 339 HD2 PHE 41 HD2 PHE 41 8.979 -12.987 -0.817 340 HE1 PHE 41 HE1 PHE 41 4.350 -14.252 0.250 341 HE2 PHE 41 HE2 PHE 41 7.609 -14.152 -2.497 342 HZ PHE 41 HZ PHE 41 5.289 -14.785 -1.963 343 HB2 PHE 41 2HB PHE 41 7.647 -11.606 2.270 344 HB3 PHE 41 1HB PHE 41 9.017 -11.641 1.169 345 H ARG 42 H ARG 42 11.514 -13.188 2.166 346 HA ARG 42 HA ARG 42 13.384 -12.076 2.804 347 HE ARG 42 HE ARG 42 13.921 -8.340 0.643 348 HB2 ARG 42 2HB ARG 42 11.487 -9.977 3.884 349 HB3 ARG 42 1HB ARG 42 13.193 -9.749 3.513 350 HG2 ARG 42 2HG ARG 42 11.033 -10.419 1.513 351 HG3 ARG 42 1HG ARG 42 11.754 -8.830 1.766 352 HD2 ARG 42 2HD ARG 42 13.432 -11.225 1.048 353 HD3 ARG 42 1HD ARG 42 12.629 -10.257 -0.186 354 HH11 ARG 42 1HH1 ARG 42 15.056 -11.493 1.445 355 HH12 ARG 42 2HH1 ARG 42 16.699 -10.981 1.590 356 HH21 ARG 42 1HH2 ARG 42 16.031 -7.710 0.783 357 HH22 ARG 42 2HH2 ARG 42 17.244 -8.858 1.239 358 H SER 43 H SER 43 11.605 -13.685 4.807 359 HA SER 43 HA SER 43 12.985 -12.892 7.284 360 HG SER 43 HG SER 43 9.714 -12.821 6.768 361 HB2 SER 43 2HB SER 43 10.626 -14.755 6.870 362 HB3 SER 43 1HB SER 43 11.346 -14.359 8.433 363 H SER 44 H SER 44 14.504 -14.181 8.195 364 HA SER 44 HA SER 44 15.928 -16.020 6.684 365 HG SER 44 HG SER 44 18.223 -16.484 8.662 366 HB2 SER 44 2HB SER 44 16.882 -14.884 8.639 367 HB3 SER 44 1HB SER 44 15.840 -15.822 9.709 368 H MET 45 H MET 45 15.482 -18.006 6.025 369 HA MET 45 HA MET 45 13.336 -19.543 7.217 370 HB2 MET 45 2HB MET 45 13.848 -21.158 5.361 371 HB3 MET 45 1HB MET 45 13.435 -19.536 4.828 372 HG2 MET 45 2HG MET 45 15.806 -19.042 4.473 373 HG3 MET 45 1HG MET 45 16.225 -20.664 5.023 374 HE1 MET 45 3HE MET 45 17.144 -19.357 2.235 375 HE2 MET 45 1HE MET 45 16.934 -20.723 1.141 376 HE3 MET 45 2HE MET 45 17.633 -20.975 2.741 377 H LYS 46 H LYS 46 14.646 -19.624 9.296 378 HA LYS 46 HA LYS 46 16.947 -21.333 9.402 379 HB2 LYS 46 2HB LYS 46 15.203 -20.226 11.612 380 HB3 LYS 46 1HB LYS 46 16.714 -21.092 11.871 381 HG2 LYS 46 2HG LYS 46 17.908 -19.343 10.595 382 HG3 LYS 46 1HG LYS 46 16.387 -18.467 10.411 383 HD2 LYS 46 2HD LYS 46 17.711 -17.525 12.231 384 HD3 LYS 46 1HD LYS 46 16.227 -18.246 12.855 385 HE2 LYS 46 2HE LYS 46 18.174 -18.781 14.260 386 HE3 LYS 46 1HE LYS 46 17.453 -20.226 13.556 387 HZ1 LYS 46 3HZ LYS 46 19.847 -18.844 12.465 388 HZ2 LYS 46 1HZ LYS 46 19.194 -20.311 11.926 389 HZ3 LYS 46 2HZ LYS 46 19.895 -20.209 13.458 390 H LEU 47 H LEU 47 16.723 -23.404 8.948 391 HA LEU 47 HA LEU 47 15.238 -25.072 10.789 392 HG LEU 47 HG LEU 47 14.616 -27.494 8.906 393 HB2 LEU 47 2HB LEU 47 13.597 -24.644 8.978 394 HB3 LEU 47 1HB LEU 47 14.739 -25.279 7.808 395 HD11 LEU 47 1HD1 LEU 47 14.063 -26.794 11.170 396 HD12 LEU 47 2HD1 LEU 47 12.857 -27.928 10.562 397 HD13 LEU 47 3HD1 LEU 47 12.493 -26.204 10.626 398 HD21 LEU 47 3HD2 LEU 47 11.932 -26.362 8.103 399 HD22 LEU 47 1HD2 LEU 47 12.367 -28.072 8.146 400 HD23 LEU 47 2HD2 LEU 47 13.162 -26.991 7.004 401 H GLU 48 H GLU 48 16.572 -26.690 11.359 402 HA GLU 48 HA GLU 48 19.088 -26.980 9.969 403 HB2 GLU 48 2HB GLU 48 18.008 -28.337 12.446 404 HB3 GLU 48 1HB GLU 48 19.654 -28.506 11.850 405 HG2 GLU 48 2HG GLU 48 20.030 -26.112 12.171 406 HG3 GLU 48 1HG GLU 48 18.371 -25.926 12.745 Start of MODEL 4 1 HA MET 1 HA MET 1 1.210 -14.887 4.334 2 H1 MET 1 1H MET 1 -1.009 -15.615 4.919 3 H2 MET 1 2H MET 1 0.021 -16.937 4.720 4 H3 MET 1 3H MET 1 -1.104 -16.556 3.518 5 HB2 MET 1 2HB MET 1 2.126 -15.419 2.121 6 HB3 MET 1 1HB MET 1 1.877 -16.881 3.065 7 HG2 MET 1 2HG MET 1 -0.210 -17.301 1.828 8 HG3 MET 1 1HG MET 1 0.092 -15.859 0.860 9 HE1 MET 1 3HE MET 1 1.361 -19.459 1.802 10 HE2 MET 1 1HE MET 1 2.763 -18.448 2.154 11 HE3 MET 1 2HE MET 1 2.818 -19.586 0.812 12 H ILE 2 H ILE 2 1.634 -13.167 2.626 13 HA ILE 2 HA ILE 2 -0.651 -11.521 2.361 14 HB ILE 2 HB ILE 2 1.535 -10.514 2.545 15 HG12 ILE 2 2HG1 ILE 2 0.358 -9.962 -0.193 16 HG13 ILE 2 1HG1 ILE 2 -0.216 -9.275 1.321 17 HG21 ILE 2 1HG2 ILE 2 2.197 -11.753 -0.132 18 HG22 ILE 2 2HG2 ILE 2 2.857 -12.240 1.430 19 HG23 ILE 2 3HG2 ILE 2 3.222 -10.642 0.779 20 HD11 ILE 2 3HD1 ILE 2 1.145 -7.693 0.084 21 HD12 ILE 2 1HD1 ILE 2 2.497 -8.824 0.099 22 HD13 ILE 2 2HD1 ILE 2 1.914 -8.125 1.611 23 H SER 3 H SER 3 -2.286 -11.797 0.997 24 HA SER 3 HA SER 3 -2.196 -13.465 -1.306 25 HG SER 3 HG SER 3 -5.582 -12.832 -1.895 26 HB2 SER 3 2HB SER 3 -4.298 -13.257 -0.190 27 HB3 SER 3 1HB SER 3 -4.265 -11.498 -0.306 28 H ASN 4 H ASN 4 -2.470 -12.913 -3.508 29 HA ASN 4 HA ASN 4 -0.919 -10.833 -4.532 30 HB2 ASN 4 2HB ASN 4 -3.204 -12.315 -5.861 31 HB3 ASN 4 1HB ASN 4 -2.020 -11.322 -6.708 32 HD21 ASN 4 1HD2 ASN 4 -2.617 -14.178 -6.955 33 HD22 ASN 4 2HD2 ASN 4 -1.123 -14.991 -6.660 34 H ALA 5 H ALA 5 -4.284 -10.872 -3.584 35 HA ALA 5 HA ALA 5 -5.148 -8.475 -4.793 36 HB1 ALA 5 3HB ALA 5 -6.671 -10.117 -3.755 37 HB2 ALA 5 1HB ALA 5 -6.940 -8.484 -3.145 38 HB3 ALA 5 2HB ALA 5 -6.062 -9.659 -2.164 39 H LYS 6 H LYS 6 -3.601 -9.091 -1.658 40 HA LYS 6 HA LYS 6 -3.542 -6.381 -0.793 41 HB2 LYS 6 2HB LYS 6 -1.855 -8.764 0.003 42 HB3 LYS 6 1HB LYS 6 -1.771 -7.197 0.799 43 HG2 LYS 6 2HG LYS 6 -4.106 -7.402 1.483 44 HG3 LYS 6 1HG LYS 6 -4.219 -8.957 0.651 45 HD2 LYS 6 2HD LYS 6 -2.563 -9.919 2.137 46 HD3 LYS 6 1HD LYS 6 -2.315 -8.359 2.924 47 HE2 LYS 6 2HE LYS 6 -4.564 -8.392 3.806 48 HE3 LYS 6 1HE LYS 6 -4.940 -9.855 2.893 49 HZ1 LYS 6 3HZ LYS 6 -4.461 -10.311 5.224 50 HZ2 LYS 6 1HZ LYS 6 -2.903 -9.677 5.050 51 HZ3 LYS 6 2HZ LYS 6 -3.354 -11.072 4.206 52 H ILE 7 H ILE 7 -1.193 -8.435 -2.506 53 HA ILE 7 HA ILE 7 0.930 -6.612 -2.654 54 HB ILE 7 HB ILE 7 0.119 -8.700 -4.696 55 HG12 ILE 7 2HG1 ILE 7 2.064 -8.871 -2.368 56 HG13 ILE 7 1HG1 ILE 7 0.474 -9.624 -2.430 57 HG21 ILE 7 1HG2 ILE 7 1.678 -7.097 -5.660 58 HG22 ILE 7 2HG2 ILE 7 2.478 -8.647 -5.401 59 HG23 ILE 7 3HG2 ILE 7 2.772 -7.309 -4.292 60 HD11 ILE 7 3HD1 ILE 7 2.806 -10.269 -4.222 61 HD12 ILE 7 1HD1 ILE 7 1.211 -11.021 -4.297 62 HD13 ILE 7 2HD1 ILE 7 2.226 -11.237 -2.870 63 H ALA 8 H ALA 8 -1.772 -7.126 -4.942 64 HA ALA 8 HA ALA 8 -1.129 -5.079 -6.756 65 HB1 ALA 8 3HB ALA 8 -2.792 -6.825 -7.215 66 HB2 ALA 8 1HB ALA 8 -3.454 -5.213 -7.478 67 HB3 ALA 8 2HB ALA 8 -3.869 -6.110 -6.017 68 H ARG 9 H ARG 9 -3.055 -5.025 -3.772 69 HA ARG 9 HA ARG 9 -3.891 -2.346 -3.855 70 HE ARG 9 HE ARG 9 -5.738 -0.419 0.002 71 HB2 ARG 9 2HB ARG 9 -4.773 -4.041 -2.280 72 HB3 ARG 9 1HB ARG 9 -3.241 -4.030 -1.420 73 HG2 ARG 9 2HG ARG 9 -4.872 -2.717 -0.222 74 HG3 ARG 9 1HG ARG 9 -3.598 -1.663 -0.837 75 HD2 ARG 9 2HD ARG 9 -5.014 -0.913 -2.638 76 HD3 ARG 9 1HD ARG 9 -6.259 -2.085 -2.204 77 HH11 ARG 9 1HH1 ARG 9 -7.198 -0.287 -3.118 78 HH12 ARG 9 2HH1 ARG 9 -8.316 0.950 -2.655 79 HH21 ARG 9 1HH2 ARG 9 -7.174 1.174 0.570 80 HH22 ARG 9 2HH2 ARG 9 -8.304 1.760 -0.603 81 H ILE 10 H ILE 10 -0.928 -3.794 -2.492 82 HA ILE 10 HA ILE 10 0.296 -1.488 -1.505 83 HB ILE 10 HB ILE 10 1.601 -3.900 -2.799 84 HG12 ILE 10 2HG1 ILE 10 1.161 -3.204 0.120 85 HG13 ILE 10 1HG1 ILE 10 0.258 -4.413 -0.789 86 HG21 ILE 10 1HG2 ILE 10 3.660 -3.208 -1.631 87 HG22 ILE 10 2HG2 ILE 10 2.856 -1.723 -1.117 88 HG23 ILE 10 3HG2 ILE 10 3.144 -2.020 -2.832 89 HD11 ILE 10 3HD1 ILE 10 3.194 -4.490 -0.127 90 HD12 ILE 10 1HD1 ILE 10 2.343 -5.681 -1.113 91 HD13 ILE 10 2HD1 ILE 10 1.919 -5.478 0.586 92 H ASN 11 H ASN 11 0.485 -2.897 -4.772 93 HA ASN 11 HA ASN 11 2.229 -1.039 -5.910 94 HB2 ASN 11 2HB ASN 11 -0.027 -2.546 -7.254 95 HB3 ASN 11 1HB ASN 11 1.324 -1.771 -8.082 96 HD21 ASN 11 1HD2 ASN 11 0.531 -4.575 -8.055 97 HD22 ASN 11 2HD2 ASN 11 1.899 -5.449 -7.471 98 H GLU 12 H GLU 12 -1.330 -0.958 -5.718 99 HA GLU 12 HA GLU 12 -1.725 1.453 -7.110 100 HB2 GLU 12 2HB GLU 12 -3.570 -0.061 -6.545 101 HB3 GLU 12 1HB GLU 12 -3.354 0.291 -4.833 102 HG2 GLU 12 2HG GLU 12 -3.854 2.700 -5.368 103 HG3 GLU 12 1HG GLU 12 -4.278 2.174 -6.994 104 H LEU 13 H LEU 13 -1.447 0.900 -3.599 105 HA LEU 13 HA LEU 13 -1.680 3.604 -2.846 106 HG LEU 13 HG LEU 13 -2.651 0.760 -1.777 107 HB2 LEU 13 2HB LEU 13 -0.311 1.350 -1.365 108 HB3 LEU 13 1HB LEU 13 -0.802 2.882 -0.664 109 HD11 LEU 13 1HD1 LEU 13 -3.377 0.467 0.522 110 HD12 LEU 13 2HD1 LEU 13 -2.216 1.679 1.065 111 HD13 LEU 13 3HD1 LEU 13 -1.647 0.159 0.373 112 HD21 LEU 13 3HD2 LEU 13 -3.578 2.962 -2.197 113 HD22 LEU 13 1HD2 LEU 13 -3.303 3.426 -0.516 114 HD23 LEU 13 2HD2 LEU 13 -4.473 2.166 -0.903 115 H ALA 14 H ALA 14 1.167 1.617 -3.541 116 HA ALA 14 HA ALA 14 3.144 3.502 -2.861 117 HB1 ALA 14 3HB ALA 14 3.603 1.111 -3.232 118 HB2 ALA 14 1HB ALA 14 4.660 2.143 -4.193 119 HB3 ALA 14 2HB ALA 14 3.296 1.325 -4.956 120 H ALA 15 H ALA 15 1.283 2.992 -5.832 121 HA ALA 15 HA ALA 15 2.632 4.894 -7.453 122 HB1 ALA 15 3HB ALA 15 -0.255 4.000 -7.604 123 HB2 ALA 15 1HB ALA 15 1.111 3.193 -8.377 124 HB3 ALA 15 2HB ALA 15 0.649 4.820 -8.875 125 H LYS 16 H LYS 16 -0.322 5.114 -5.485 126 HA LYS 16 HA LYS 16 -0.841 7.846 -5.738 127 HB2 LYS 16 2HB LYS 16 -1.299 5.997 -3.383 128 HB3 LYS 16 1HB LYS 16 -1.975 7.615 -3.509 129 HG2 LYS 16 2HG LYS 16 -3.288 6.991 -5.414 130 HG3 LYS 16 1HG LYS 16 -2.502 5.410 -5.493 131 HD2 LYS 16 2HD LYS 16 -3.473 4.768 -3.377 132 HD3 LYS 16 1HD LYS 16 -4.145 6.383 -3.148 133 HE2 LYS 16 2HE LYS 16 -5.621 6.077 -5.036 134 HE3 LYS 16 1HE LYS 16 -4.883 4.517 -5.404 135 HZ1 LYS 16 3HZ LYS 16 -7.039 4.470 -4.138 136 HZ2 LYS 16 1HZ LYS 16 -6.195 5.077 -2.811 137 HZ3 LYS 16 2HZ LYS 16 -5.780 3.571 -3.468 138 H ALA 17 H ALA 17 1.368 6.146 -3.567 139 HA ALA 17 HA ALA 17 2.181 8.318 -1.979 140 HB1 ALA 17 3HB ALA 17 4.140 6.969 -1.427 141 HB2 ALA 17 1HB ALA 17 3.802 5.895 -2.788 142 HB3 ALA 17 2HB ALA 17 2.680 5.976 -1.429 143 H LYS 18 H LYS 18 3.687 6.974 -4.933 144 HA LYS 18 HA LYS 18 5.706 8.892 -5.219 145 HB2 LYS 18 2HB LYS 18 4.238 7.352 -7.377 146 HB3 LYS 18 1HB LYS 18 5.712 8.274 -7.636 147 HG2 LYS 18 2HG LYS 18 6.838 6.793 -5.953 148 HG3 LYS 18 1HG LYS 18 5.380 5.797 -5.944 149 HD2 LYS 18 2HD LYS 18 7.025 6.421 -8.406 150 HD3 LYS 18 1HD LYS 18 7.173 4.946 -7.452 151 HE2 LYS 18 2HE LYS 18 4.577 5.815 -8.708 152 HE3 LYS 18 1HE LYS 18 5.751 4.806 -9.550 153 HZ1 LYS 18 3HZ LYS 18 4.468 4.119 -6.963 154 HZ2 LYS 18 1HZ LYS 18 5.534 3.142 -7.839 155 HZ3 LYS 18 2HZ LYS 18 4.009 3.502 -8.470 156 H ALA 19 H ALA 19 2.370 8.909 -6.427 157 HA ALA 19 HA ALA 19 2.605 11.411 -7.801 158 HB1 ALA 19 3HB ALA 19 0.117 9.946 -6.910 159 HB2 ALA 19 1HB ALA 19 0.961 9.704 -8.440 160 HB3 ALA 19 2HB ALA 19 0.189 11.252 -8.092 161 H GLY 20 H GLY 20 2.109 10.586 -4.489 162 HA2 GLY 20 2HA GLY 20 2.001 11.978 -2.641 163 HA3 GLY 20 1HA GLY 20 1.991 13.362 -3.720 164 H VAL 21 H VAL 21 -0.382 10.839 -4.125 165 HA VAL 21 HA VAL 21 -2.461 12.688 -3.116 166 HB VAL 21 HB VAL 21 -4.029 11.585 -4.646 167 HG11 VAL 21 1HG1 VAL 21 -2.819 13.570 -5.407 168 HG12 VAL 21 2HG1 VAL 21 -3.146 12.470 -6.744 169 HG13 VAL 21 3HG1 VAL 21 -1.530 12.549 -6.045 170 HG21 VAL 21 3HG2 VAL 21 -3.217 10.016 -6.362 171 HG22 VAL 21 1HG2 VAL 21 -3.031 9.362 -4.735 172 HG23 VAL 21 2HG2 VAL 21 -1.628 10.005 -5.590 173 H ILE 22 H ILE 22 -0.862 10.206 -1.946 174 HA ILE 22 HA ILE 22 -3.012 8.424 -1.176 175 HB ILE 22 HB ILE 22 -0.752 7.551 -1.654 176 HG12 ILE 22 2HG1 ILE 22 -1.575 7.122 1.231 177 HG13 ILE 22 1HG1 ILE 22 -2.302 6.318 -0.156 178 HG21 ILE 22 1HG2 ILE 22 1.088 7.888 -0.082 179 HG22 ILE 22 2HG2 ILE 22 0.091 9.003 0.855 180 HG23 ILE 22 3HG2 ILE 22 0.564 9.417 -0.793 181 HD11 ILE 22 3HD1 ILE 22 0.569 6.062 0.722 182 HD12 ILE 22 1HD1 ILE 22 -0.173 5.246 -0.656 183 HD13 ILE 22 2HD1 ILE 22 -0.712 4.879 0.981 184 H THR 23 H THR 23 -4.180 8.500 0.692 185 HA THR 23 HA THR 23 -3.686 10.726 2.521 186 HB THR 23 HB THR 23 -5.874 10.266 3.473 187 HG1 THR 23 HG1 THR 23 -6.237 8.130 1.640 188 HG21 THR 23 3HG2 THR 23 -7.276 10.612 1.488 189 HG22 THR 23 1HG2 THR 23 -5.942 10.103 0.452 190 HG23 THR 23 2HG2 THR 23 -5.805 11.582 1.405 191 H GLU 24 H GLU 24 -4.260 10.256 4.916 192 HA GLU 24 HA GLU 24 -2.162 8.904 6.089 193 HB2 GLU 24 2HB GLU 24 -4.882 9.370 7.328 194 HB3 GLU 24 1HB GLU 24 -3.380 9.094 8.198 195 HG2 GLU 24 2HG GLU 24 -2.482 11.196 7.345 196 HG3 GLU 24 1HG GLU 24 -3.969 11.468 6.434 197 H GLU 25 H GLU 25 -5.537 7.747 6.085 198 HA GLU 25 HA GLU 25 -5.181 5.264 7.247 199 HB2 GLU 25 2HB GLU 25 -7.377 6.234 6.844 200 HB3 GLU 25 1HB GLU 25 -7.153 6.098 5.107 201 HG2 GLU 25 2HG GLU 25 -8.651 4.385 5.960 202 HG3 GLU 25 1HG GLU 25 -7.196 3.677 5.262 203 H GLU 26 H GLU 26 -4.846 6.137 3.833 204 HA GLU 26 HA GLU 26 -4.421 3.479 2.893 205 HB2 GLU 26 2HB GLU 26 -3.756 6.155 1.652 206 HB3 GLU 26 1HB GLU 26 -3.654 4.613 0.810 207 HG2 GLU 26 2HG GLU 26 -6.040 4.265 1.094 208 HG3 GLU 26 1HG GLU 26 -6.164 5.768 2.008 209 H LYS 27 H LYS 27 -2.226 6.111 3.832 210 HA LYS 27 HA LYS 27 0.207 4.857 3.177 211 HB2 LYS 27 2HB LYS 27 -0.399 6.820 5.408 212 HB3 LYS 27 1HB LYS 27 1.218 6.374 4.876 213 HG2 LYS 27 2HG LYS 27 0.789 7.321 2.682 214 HG3 LYS 27 1HG LYS 27 -0.865 7.712 3.150 215 HD2 LYS 27 2HD LYS 27 0.522 9.700 3.287 216 HD3 LYS 27 1HD LYS 27 0.009 9.218 4.904 217 HE2 LYS 27 2HE LYS 27 2.195 8.113 5.236 218 HE3 LYS 27 1HE LYS 27 2.702 8.676 3.645 219 HZ1 LYS 27 3HZ LYS 27 2.410 10.959 4.420 220 HZ2 LYS 27 1HZ LYS 27 3.531 10.122 5.369 221 HZ3 LYS 27 2HZ LYS 27 1.968 10.393 5.952 222 H ALA 28 H ALA 28 -1.750 4.745 6.133 223 HA ALA 28 HA ALA 28 -0.049 3.043 7.634 224 HB1 ALA 28 3HB ALA 28 -1.811 4.388 8.662 225 HB2 ALA 28 1HB ALA 28 -2.006 2.681 9.064 226 HB3 ALA 28 2HB ALA 28 -3.039 3.425 7.843 227 H GLU 29 H GLU 29 -2.815 2.385 5.500 228 HA GLU 29 HA GLU 29 -2.959 -0.402 5.824 229 HB2 GLU 29 2HB GLU 29 -4.645 1.027 4.646 230 HB3 GLU 29 1HB GLU 29 -3.527 1.179 3.301 231 HG2 GLU 29 2HG GLU 29 -5.151 -0.466 2.729 232 HG3 GLU 29 1HG GLU 29 -3.621 -1.294 3.017 233 H GLN 30 H GLN 30 -1.054 1.559 3.543 234 HA GLN 30 HA GLN 30 0.151 -0.528 2.120 235 HB2 GLN 30 2HB GLN 30 0.240 1.797 1.377 236 HB3 GLN 30 1HB GLN 30 1.245 2.221 2.755 237 HG2 GLN 30 2HG GLN 30 3.055 0.864 1.914 238 HG3 GLN 30 1HG GLN 30 2.045 0.271 0.596 239 HE21 GLN 30 1HE2 GLN 30 3.823 2.994 1.833 240 HE22 GLN 30 2HE2 GLN 30 3.839 3.899 0.368 241 H GLN 31 H GLN 31 1.304 1.168 5.052 242 HA GLN 31 HA GLN 31 3.695 -0.252 5.415 243 HB2 GLN 31 2HB GLN 31 3.078 1.783 6.686 244 HB3 GLN 31 1HB GLN 31 1.848 0.866 7.546 245 HG2 GLN 31 2HG GLN 31 3.803 1.134 8.937 246 HG3 GLN 31 1HG GLN 31 3.603 -0.565 8.513 247 HE21 GLN 31 1HE2 GLN 31 5.504 2.304 8.033 248 HE22 GLN 31 2HE2 GLN 31 6.859 1.526 7.299 249 H LYS 32 H LYS 32 0.499 -0.863 6.833 250 HA LYS 32 HA LYS 32 0.873 -3.248 8.139 251 HB2 LYS 32 2HB LYS 32 -1.226 -2.181 8.318 252 HB3 LYS 32 1HB LYS 32 -1.440 -2.122 6.574 253 HG2 LYS 32 2HG LYS 32 -1.609 -4.657 6.647 254 HG3 LYS 32 1HG LYS 32 -1.733 -4.491 8.403 255 HD2 LYS 32 2HD LYS 32 -3.732 -3.212 8.228 256 HD3 LYS 32 1HD LYS 32 -3.532 -3.010 6.487 257 HE2 LYS 32 2HE LYS 32 -3.758 -5.534 6.311 258 HE3 LYS 32 1HE LYS 32 -4.276 -5.507 7.997 259 HZ1 LYS 32 3HZ LYS 32 -5.588 -4.088 5.741 260 HZ2 LYS 32 1HZ LYS 32 -6.071 -3.996 7.359 261 HZ3 LYS 32 2HZ LYS 32 -6.174 -5.465 6.527 262 H LEU 33 H LEU 33 0.045 -2.855 4.687 263 HA LEU 33 HA LEU 33 0.063 -5.632 4.096 264 HG LEU 33 HG LEU 33 -1.797 -3.194 3.398 265 HB2 LEU 33 2HB LEU 33 0.384 -3.257 2.257 266 HB3 LEU 33 1HB LEU 33 0.069 -4.902 1.737 267 HD11 LEU 33 1HD1 LEU 33 -3.214 -3.175 1.427 268 HD12 LEU 33 2HD1 LEU 33 -2.024 -4.123 0.537 269 HD13 LEU 33 3HD1 LEU 33 -1.635 -2.482 1.053 270 HD21 LEU 33 3HD2 LEU 33 -3.412 -5.025 3.059 271 HD22 LEU 33 1HD2 LEU 33 -2.012 -5.542 4.000 272 HD23 LEU 33 2HD2 LEU 33 -2.145 -5.987 2.299 273 H ARG 34 H ARG 34 2.569 -3.134 3.935 274 HA ARG 34 HA ARG 34 4.547 -4.711 2.668 275 HE ARG 34 HE ARG 34 7.401 -1.396 3.550 276 HB2 ARG 34 2HB ARG 34 4.761 -2.364 4.558 277 HB3 ARG 34 1HB ARG 34 6.170 -3.131 3.835 278 HG2 ARG 34 2HG ARG 34 5.365 -2.583 1.605 279 HG3 ARG 34 1HG ARG 34 3.900 -1.876 2.288 280 HD2 ARG 34 2HD ARG 34 5.500 -0.147 1.672 281 HD3 ARG 34 1HD ARG 34 5.246 -0.172 3.417 282 HH11 ARG 34 1HH1 ARG 34 6.730 0.471 0.740 283 HH12 ARG 34 2HH1 ARG 34 8.395 0.785 0.417 284 HH21 ARG 34 1HH2 ARG 34 9.528 -0.975 3.141 285 HH22 ARG 34 2HH2 ARG 34 9.967 -0.024 1.765 286 H GLN 35 H GLN 35 3.576 -4.395 6.069 287 HA GLN 35 HA GLN 35 5.536 -6.120 7.160 288 HB2 GLN 35 2HB GLN 35 2.678 -5.703 8.090 289 HB3 GLN 35 1HB GLN 35 3.958 -6.452 9.033 290 HG2 GLN 35 2HG GLN 35 3.711 -3.577 8.196 291 HG3 GLN 35 1HG GLN 35 3.718 -4.240 9.827 292 HE21 GLN 35 1HE2 GLN 35 5.629 -3.286 7.124 293 HE22 GLN 35 2HE2 GLN 35 7.167 -3.412 7.899 294 H GLU 36 H GLU 36 2.270 -6.762 5.897 295 HA GLU 36 HA GLU 36 2.156 -9.522 6.157 296 HB2 GLU 36 2HB GLU 36 1.105 -7.789 3.902 297 HB3 GLU 36 1HB GLU 36 0.658 -9.472 4.145 298 HG2 GLU 36 2HG GLU 36 0.176 -7.287 6.165 299 HG3 GLU 36 1HG GLU 36 -1.007 -7.805 4.963 300 H TYR 37 H TYR 37 3.639 -7.577 3.610 301 HA TYR 37 HA TYR 37 4.397 -9.724 1.913 302 HD1 TYR 37 HD2 TYR 37 4.131 -8.849 -0.730 303 HD2 TYR 37 HD1 TYR 37 7.751 -7.401 0.996 304 HE1 TYR 37 HE2 TYR 37 5.341 -9.419 -2.790 305 HE2 TYR 37 HE1 TYR 37 8.961 -7.972 -1.065 306 HH TYR 37 HH TYR 37 7.338 -8.843 -3.960 307 HB2 TYR 37 2HB TYR 37 4.148 -7.294 1.261 308 HB3 TYR 37 1HB TYR 37 5.670 -6.979 2.084 309 H LEU 38 H LEU 38 5.907 -8.216 4.685 310 HA LEU 38 HA LEU 38 8.511 -9.372 4.231 311 HG LEU 38 HG LEU 38 7.777 -6.461 4.674 312 HB2 LEU 38 2HB LEU 38 7.334 -7.944 6.614 313 HB3 LEU 38 1HB LEU 38 8.993 -8.509 6.539 314 HD11 LEU 38 1HD1 LEU 38 9.154 -4.836 5.872 315 HD12 LEU 38 2HD1 LEU 38 9.681 -6.096 6.990 316 HD13 LEU 38 3HD1 LEU 38 7.987 -5.601 6.951 317 HD21 LEU 38 3HD2 LEU 38 10.621 -7.441 4.978 318 HD22 LEU 38 1HD2 LEU 38 10.112 -6.082 3.971 319 HD23 LEU 38 2HD2 LEU 38 9.558 -7.714 3.596 320 H LYS 39 H LYS 39 5.595 -10.428 5.799 321 HA LYS 39 HA LYS 39 6.699 -12.210 7.691 322 HB2 LYS 39 2HB LYS 39 4.061 -12.461 6.226 323 HB3 LYS 39 1HB LYS 39 4.507 -13.321 7.693 324 HG2 LYS 39 2HG LYS 39 4.712 -11.108 8.837 325 HG3 LYS 39 1HG LYS 39 4.065 -10.357 7.378 326 HD2 LYS 39 2HD LYS 39 2.687 -12.358 9.180 327 HD3 LYS 39 1HD LYS 39 2.263 -10.662 8.950 328 HE2 LYS 39 2HE LYS 39 1.800 -11.206 6.535 329 HE3 LYS 39 1HE LYS 39 2.018 -12.905 6.947 330 HZ1 LYS 39 3HZ LYS 39 -0.304 -12.324 6.984 331 HZ2 LYS 39 1HZ LYS 39 -0.022 -11.074 8.087 332 HZ3 LYS 39 2HZ LYS 39 0.207 -12.683 8.556 333 H GLY 40 H GLY 40 8.399 -13.378 6.796 334 HA2 GLY 40 2HA GLY 40 8.937 -15.615 6.076 335 HA3 GLY 40 1HA GLY 40 7.599 -15.535 4.941 336 H PHE 41 H PHE 41 8.888 -12.610 4.581 337 HA PHE 41 HA PHE 41 10.414 -13.424 2.229 338 HD1 PHE 41 HD2 PHE 41 10.116 -12.280 -0.185 339 HD2 PHE 41 HD1 PHE 41 10.930 -9.077 2.507 340 HE1 PHE 41 HE2 PHE 41 11.467 -11.169 -1.915 341 HE2 PHE 41 HE1 PHE 41 12.285 -7.967 0.781 342 HZ PHE 41 HZ PHE 41 12.555 -9.013 -1.434 343 HB2 PHE 41 2HB PHE 41 8.678 -11.762 1.889 344 HB3 PHE 41 1HB PHE 41 9.383 -10.720 3.116 345 H ARG 42 H ARG 42 12.534 -13.597 2.303 346 HA ARG 42 HA ARG 42 14.095 -11.790 4.048 347 HE ARG 42 HE ARG 42 16.287 -14.938 6.542 348 HB2 ARG 42 2HB ARG 42 14.823 -14.586 3.138 349 HB3 ARG 42 1HB ARG 42 15.786 -13.562 4.195 350 HG2 ARG 42 2HG ARG 42 14.158 -13.706 5.942 351 HG3 ARG 42 1HG ARG 42 13.009 -14.517 4.876 352 HD2 ARG 42 2HD ARG 42 14.051 -16.125 6.371 353 HD3 ARG 42 1HD ARG 42 14.537 -16.438 4.706 354 HH11 ARG 42 1HH1 ARG 42 15.748 -17.593 4.416 355 HH12 ARG 42 2HH1 ARG 42 17.398 -18.105 4.463 356 HH21 ARG 42 1HH2 ARG 42 18.381 -15.626 6.631 357 HH22 ARG 42 2HH2 ARG 42 18.876 -16.998 5.704 358 H SER 43 H SER 43 16.429 -11.484 3.140 359 HA SER 43 HA SER 43 16.632 -11.665 0.239 360 HG SER 43 HG SER 43 14.549 -10.146 0.635 361 HB2 SER 43 2HB SER 43 16.428 -8.996 1.645 362 HB3 SER 43 1HB SER 43 17.142 -9.171 0.041 363 H SER 44 H SER 44 18.683 -11.919 -0.429 364 HA SER 44 HA SER 44 20.911 -11.798 1.381 365 HG SER 44 HG SER 44 19.950 -13.833 -0.136 366 HB2 SER 44 2HB SER 44 20.825 -12.123 -1.636 367 HB3 SER 44 1HB SER 44 22.275 -12.299 -0.650 368 H MET 45 H MET 45 21.657 -9.872 2.061 369 HA MET 45 HA MET 45 21.438 -7.542 0.267 370 HB2 MET 45 2HB MET 45 21.771 -7.638 3.273 371 HB3 MET 45 1HB MET 45 21.576 -6.179 2.308 372 HG2 MET 45 2HG MET 45 19.350 -6.875 1.653 373 HG3 MET 45 1HG MET 45 19.542 -8.389 2.532 374 HE1 MET 45 3HE MET 45 19.760 -7.098 6.249 375 HE2 MET 45 1HE MET 45 21.132 -7.280 5.154 376 HE3 MET 45 2HE MET 45 19.863 -8.505 5.190 377 H LYS 46 H LYS 46 23.155 -6.177 -0.126 378 HA LYS 46 HA LYS 46 25.824 -7.143 0.655 379 HB2 LYS 46 2HB LYS 46 25.489 -7.020 -1.748 380 HB3 LYS 46 1HB LYS 46 24.940 -5.357 -1.628 381 HG2 LYS 46 2HG LYS 46 27.249 -5.595 -2.495 382 HG3 LYS 46 1HG LYS 46 27.137 -4.600 -1.044 383 HD2 LYS 46 2HD LYS 46 29.066 -6.116 -0.963 384 HD3 LYS 46 1HD LYS 46 27.913 -6.456 0.324 385 HE2 LYS 46 2HE LYS 46 26.984 -8.296 -1.111 386 HE3 LYS 46 1HE LYS 46 28.313 -8.009 -2.236 387 HZ1 LYS 46 3HZ LYS 46 29.860 -8.479 -0.408 388 HZ2 LYS 46 1HZ LYS 46 28.863 -9.798 -0.755 389 HZ3 LYS 46 2HZ LYS 46 28.559 -8.837 0.606 390 H LEU 47 H LEU 47 26.299 -6.196 2.566 391 HA LEU 47 HA LEU 47 26.704 -3.356 2.715 392 HG LEU 47 HG LEU 47 24.914 -4.731 5.770 393 HB2 LEU 47 2HB LEU 47 25.092 -2.763 4.347 394 HB3 LEU 47 1HB LEU 47 24.230 -3.571 3.054 395 HD11 LEU 47 1HD1 LEU 47 22.476 -4.775 6.070 396 HD12 LEU 47 2HD1 LEU 47 22.276 -3.969 4.513 397 HD13 LEU 47 3HD1 LEU 47 23.093 -3.138 5.837 398 HD21 LEU 47 3HD2 LEU 47 23.635 -6.707 5.098 399 HD22 LEU 47 1HD2 LEU 47 25.047 -6.482 4.066 400 HD23 LEU 47 2HD2 LEU 47 23.446 -6.044 3.474 401 H GLU 48 H GLU 48 27.894 -6.137 3.329 402 HA GLU 48 HA GLU 48 28.388 -6.235 6.136 403 HB2 GLU 48 2HB GLU 48 30.157 -7.531 4.058 404 HB3 GLU 48 1HB GLU 48 29.848 -8.057 5.703 405 HG2 GLU 48 2HG GLU 48 28.504 -9.549 4.688 406 HG3 GLU 48 1HG GLU 48 27.351 -8.216 4.700 Start of MODEL 5 1 HA MET 1 HA MET 1 1.245 -13.943 5.222 2 H1 MET 1 1H MET 1 0.034 -14.521 7.220 3 H2 MET 1 2H MET 1 -1.405 -13.929 6.557 4 H3 MET 1 3H MET 1 -0.127 -12.873 6.878 5 HB2 MET 1 2HB MET 1 -1.239 -15.618 4.757 6 HB3 MET 1 1HB MET 1 0.156 -15.595 3.687 7 HG2 MET 1 2HG MET 1 1.566 -16.461 5.479 8 HG3 MET 1 1HG MET 1 0.185 -16.453 6.576 9 HE1 MET 1 3HE MET 1 0.859 -20.281 5.892 10 HE2 MET 1 1HE MET 1 0.699 -19.043 7.139 11 HE3 MET 1 2HE MET 1 2.060 -18.994 6.015 12 H ILE 2 H ILE 2 1.255 -13.141 3.056 13 HA ILE 2 HA ILE 2 -0.844 -11.153 2.550 14 HB ILE 2 HB ILE 2 1.449 -10.307 2.625 15 HG12 ILE 2 2HG1 ILE 2 0.334 -10.233 -0.194 16 HG13 ILE 2 1HG1 ILE 2 -0.242 -9.240 1.141 17 HG21 ILE 2 1HG2 ILE 2 3.095 -10.908 0.920 18 HG22 ILE 2 2HG2 ILE 2 1.982 -12.101 0.252 19 HG23 ILE 2 3HG2 ILE 2 2.632 -12.314 1.877 20 HD11 ILE 2 3HD1 ILE 2 2.503 -9.157 -0.091 21 HD12 ILE 2 1HD1 ILE 2 1.970 -8.189 1.286 22 HD13 ILE 2 2HD1 ILE 2 1.216 -7.969 -0.292 23 H SER 3 H SER 3 -2.021 -11.082 0.676 24 HA SER 3 HA SER 3 -1.842 -13.417 -1.118 25 HG SER 3 HG SER 3 -5.161 -11.309 -0.112 26 HB2 SER 3 2HB SER 3 -4.193 -13.034 -1.641 27 HB3 SER 3 1HB SER 3 -3.999 -13.112 0.110 28 H ASN 4 H ASN 4 -2.302 -13.064 -3.398 29 HA ASN 4 HA ASN 4 -0.923 -10.995 -4.639 30 HB2 ASN 4 2HB ASN 4 -2.397 -11.627 -6.674 31 HB3 ASN 4 1HB ASN 4 -1.358 -12.863 -5.976 32 HD21 ASN 4 1HD2 ASN 4 -2.599 -14.540 -6.717 33 HD22 ASN 4 2HD2 ASN 4 -4.145 -14.925 -6.051 34 H ALA 5 H ALA 5 -4.292 -11.092 -3.618 35 HA ALA 5 HA ALA 5 -5.186 -8.705 -4.812 36 HB1 ALA 5 3HB ALA 5 -6.695 -10.336 -3.783 37 HB2 ALA 5 1HB ALA 5 -6.953 -8.721 -3.123 38 HB3 ALA 5 2HB ALA 5 -6.061 -9.925 -2.190 39 H LYS 6 H LYS 6 -3.579 -9.279 -1.688 40 HA LYS 6 HA LYS 6 -3.606 -6.574 -0.818 41 HB2 LYS 6 2HB LYS 6 -1.795 -8.876 -0.066 42 HB3 LYS 6 1HB LYS 6 -1.777 -7.314 0.740 43 HG2 LYS 6 2HG LYS 6 -4.087 -7.646 1.460 44 HG3 LYS 6 1HG LYS 6 -4.129 -9.201 0.624 45 HD2 LYS 6 2HD LYS 6 -2.334 -10.033 2.079 46 HD3 LYS 6 1HD LYS 6 -2.275 -8.477 2.904 47 HE2 LYS 6 2HE LYS 6 -4.494 -8.786 3.773 48 HE3 LYS 6 1HE LYS 6 -4.723 -10.240 2.802 49 HZ1 LYS 6 3HZ LYS 6 -2.723 -9.944 4.985 50 HZ2 LYS 6 1HZ LYS 6 -3.006 -11.343 4.077 51 HZ3 LYS 6 2HZ LYS 6 -4.199 -10.751 5.116 52 H ILE 7 H ILE 7 -1.191 -8.496 -2.592 53 HA ILE 7 HA ILE 7 0.874 -6.607 -2.679 54 HB ILE 7 HB ILE 7 0.174 -8.625 -4.828 55 HG12 ILE 7 2HG1 ILE 7 2.011 -8.885 -2.426 56 HG13 ILE 7 1HG1 ILE 7 0.441 -9.660 -2.601 57 HG21 ILE 7 1HG2 ILE 7 2.537 -8.489 -5.454 58 HG22 ILE 7 2HG2 ILE 7 2.801 -7.253 -4.223 59 HG23 ILE 7 3HG2 ILE 7 1.752 -6.915 -5.602 60 HD11 ILE 7 3HD1 ILE 7 1.277 -10.972 -4.467 61 HD12 ILE 7 1HD1 ILE 7 2.281 -11.198 -3.034 62 HD13 ILE 7 2HD1 ILE 7 2.841 -10.165 -4.346 63 H ALA 8 H ALA 8 -1.754 -7.153 -5.049 64 HA ALA 8 HA ALA 8 -1.160 -5.067 -6.813 65 HB1 ALA 8 3HB ALA 8 -2.826 -6.796 -7.290 66 HB2 ALA 8 1HB ALA 8 -3.500 -5.181 -7.502 67 HB3 ALA 8 2HB ALA 8 -3.892 -6.117 -6.061 68 H ARG 9 H ARG 9 -3.002 -5.024 -3.788 69 HA ARG 9 HA ARG 9 -3.851 -2.337 -3.875 70 HE ARG 9 HE ARG 9 -5.829 -0.556 0.048 71 HB2 ARG 9 2HB ARG 9 -4.741 -4.040 -2.306 72 HB3 ARG 9 1HB ARG 9 -3.208 -4.030 -1.445 73 HG2 ARG 9 2HG ARG 9 -4.822 -2.727 -0.235 74 HG3 ARG 9 1HG ARG 9 -3.571 -1.660 -0.870 75 HD2 ARG 9 2HD ARG 9 -5.031 -0.930 -2.649 76 HD3 ARG 9 1HD ARG 9 -6.254 -2.111 -2.181 77 HH11 ARG 9 1HH1 ARG 9 -6.850 -0.010 -3.200 78 HH12 ARG 9 2HH1 ARG 9 -7.846 1.331 -2.768 79 HH21 ARG 9 1HH2 ARG 9 -7.122 1.157 0.588 80 HH22 ARG 9 2HH2 ARG 9 -7.998 1.990 -0.648 81 H ILE 10 H ILE 10 -0.895 -3.815 -2.506 82 HA ILE 10 HA ILE 10 0.369 -1.519 -1.542 83 HB ILE 10 HB ILE 10 1.596 -3.970 -2.831 84 HG12 ILE 10 2HG1 ILE 10 1.365 -3.184 0.089 85 HG13 ILE 10 1HG1 ILE 10 0.296 -4.323 -0.727 86 HG21 ILE 10 1HG2 ILE 10 3.717 -3.278 -1.760 87 HG22 ILE 10 2HG2 ILE 10 2.963 -1.755 -1.289 88 HG23 ILE 10 3HG2 ILE 10 3.182 -2.140 -2.996 89 HD11 ILE 10 3HD1 ILE 10 3.260 -4.649 -0.303 90 HD12 ILE 10 1HD1 ILE 10 2.213 -5.788 -1.154 91 HD13 ILE 10 2HD1 ILE 10 1.973 -5.484 0.568 92 H ASN 11 H ASN 11 0.485 -2.921 -4.818 93 HA ASN 11 HA ASN 11 2.179 -1.048 -6.013 94 HB2 ASN 11 2HB ASN 11 -0.083 -2.688 -7.170 95 HB3 ASN 11 1HB ASN 11 1.007 -1.719 -8.159 96 HD21 ASN 11 1HD2 ASN 11 0.593 -4.634 -8.066 97 HD22 ASN 11 2HD2 ASN 11 2.150 -5.310 -7.749 98 H GLU 12 H GLU 12 -1.367 -0.951 -5.668 99 HA GLU 12 HA GLU 12 -1.858 1.454 -7.030 100 HB2 GLU 12 2HB GLU 12 -3.660 -0.053 -6.259 101 HB3 GLU 12 1HB GLU 12 -3.292 0.359 -4.588 102 HG2 GLU 12 2HG GLU 12 -3.774 2.787 -5.296 103 HG3 GLU 12 1HG GLU 12 -4.524 2.075 -6.721 104 H LEU 13 H LEU 13 -1.436 0.949 -3.531 105 HA LEU 13 HA LEU 13 -1.455 3.683 -2.837 106 HG LEU 13 HG LEU 13 -2.575 0.850 -1.739 107 HB2 LEU 13 2HB LEU 13 -0.233 1.379 -1.312 108 HB3 LEU 13 1HB LEU 13 -0.679 2.940 -0.647 109 HD11 LEU 13 1HD1 LEU 13 -2.108 1.862 1.063 110 HD12 LEU 13 2HD1 LEU 13 -1.746 0.251 0.440 111 HD13 LEU 13 3HD1 LEU 13 -3.419 0.786 0.577 112 HD21 LEU 13 3HD2 LEU 13 -3.417 3.051 -2.295 113 HD22 LEU 13 1HD2 LEU 13 -3.170 3.598 -0.635 114 HD23 LEU 13 2HD2 LEU 13 -4.373 2.358 -0.986 115 H ALA 14 H ALA 14 1.132 1.581 -3.893 116 HA ALA 14 HA ALA 14 3.319 3.231 -3.155 117 HB1 ALA 14 3HB ALA 14 4.601 1.944 -4.801 118 HB2 ALA 14 1HB ALA 14 3.103 1.265 -5.441 119 HB3 ALA 14 2HB ALA 14 3.609 0.889 -3.794 120 H ALA 15 H ALA 15 1.492 2.939 -6.209 121 HA ALA 15 HA ALA 15 2.764 5.011 -7.621 122 HB1 ALA 15 3HB ALA 15 -0.103 4.074 -7.841 123 HB2 ALA 15 1HB ALA 15 1.280 3.381 -8.688 124 HB3 ALA 15 2HB ALA 15 0.765 5.030 -9.041 125 H LYS 16 H LYS 16 -0.119 5.069 -5.541 126 HA LYS 16 HA LYS 16 -0.682 7.816 -5.714 127 HB2 LYS 16 2HB LYS 16 -1.179 5.828 -3.495 128 HB3 LYS 16 1HB LYS 16 -1.787 7.477 -3.463 129 HG2 LYS 16 2HG LYS 16 -3.041 7.053 -5.523 130 HG3 LYS 16 1HG LYS 16 -2.457 5.386 -5.530 131 HD2 LYS 16 2HD LYS 16 -3.599 4.912 -3.469 132 HD3 LYS 16 1HD LYS 16 -4.027 6.612 -3.258 133 HE2 LYS 16 2HE LYS 16 -5.423 6.508 -5.271 134 HE3 LYS 16 1HE LYS 16 -4.989 4.811 -5.485 135 HZ1 LYS 16 3HZ LYS 16 -6.064 4.283 -3.424 136 HZ2 LYS 16 1HZ LYS 16 -7.149 5.114 -4.417 137 HZ3 LYS 16 2HZ LYS 16 -6.408 5.911 -3.122 138 H ALA 17 H ALA 17 1.471 6.045 -3.516 139 HA ALA 17 HA ALA 17 2.151 8.167 -1.813 140 HB1 ALA 17 3HB ALA 17 4.100 6.833 -1.189 141 HB2 ALA 17 1HB ALA 17 3.850 5.793 -2.592 142 HB3 ALA 17 2HB ALA 17 2.655 5.828 -1.295 143 H LYS 18 H LYS 18 3.773 7.020 -4.782 144 HA LYS 18 HA LYS 18 5.805 9.000 -4.759 145 HB2 LYS 18 2HB LYS 18 5.959 6.899 -6.052 146 HB3 LYS 18 1HB LYS 18 4.679 7.471 -7.117 147 HG2 LYS 18 2HG LYS 18 6.101 9.321 -7.849 148 HG3 LYS 18 1HG LYS 18 7.378 8.778 -6.761 149 HD2 LYS 18 2HD LYS 18 7.845 8.045 -9.030 150 HD3 LYS 18 1HD LYS 18 7.513 6.651 -8.002 151 HE2 LYS 18 2HE LYS 18 5.232 6.542 -8.881 152 HE3 LYS 18 1HE LYS 18 5.541 7.957 -9.884 153 HZ1 LYS 18 3HZ LYS 18 6.905 5.324 -10.101 154 HZ2 LYS 18 1HZ LYS 18 7.266 6.691 -11.036 155 HZ3 LYS 18 2HZ LYS 18 5.752 5.951 -11.174 156 H ALA 19 H ALA 19 2.572 8.918 -6.189 157 HA ALA 19 HA ALA 19 2.836 11.439 -7.550 158 HB1 ALA 19 3HB ALA 19 0.317 9.929 -6.829 159 HB2 ALA 19 1HB ALA 19 1.265 9.691 -8.298 160 HB3 ALA 19 2HB ALA 19 0.462 11.234 -8.009 161 H GLY 20 H GLY 20 2.046 10.490 -4.317 162 HA2 GLY 20 2HA GLY 20 1.883 11.855 -2.440 163 HA3 GLY 20 1HA GLY 20 1.852 13.263 -3.488 164 H VAL 21 H VAL 21 -0.407 10.796 -4.279 165 HA VAL 21 HA VAL 21 -2.600 12.503 -3.289 166 HB VAL 21 HB VAL 21 -4.030 11.358 -4.929 167 HG11 VAL 21 1HG1 VAL 21 -2.886 13.388 -5.611 168 HG12 VAL 21 2HG1 VAL 21 -2.986 12.270 -6.970 169 HG13 VAL 21 3HG1 VAL 21 -1.467 12.461 -6.094 170 HG21 VAL 21 3HG2 VAL 21 -3.054 9.836 -6.597 171 HG22 VAL 21 1HG2 VAL 21 -2.938 9.171 -4.968 172 HG23 VAL 21 2HG2 VAL 21 -1.515 9.877 -5.737 173 H ILE 22 H ILE 22 -1.048 10.216 -1.874 174 HA ILE 22 HA ILE 22 -3.217 8.351 -1.276 175 HB ILE 22 HB ILE 22 -0.971 7.450 -1.689 176 HG12 ILE 22 2HG1 ILE 22 -1.808 7.076 1.201 177 HG13 ILE 22 1HG1 ILE 22 -2.534 6.247 -0.172 178 HG21 ILE 22 1HG2 ILE 22 -0.144 8.952 0.799 179 HG22 ILE 22 2HG2 ILE 22 0.354 9.321 -0.851 180 HG23 ILE 22 3HG2 ILE 22 0.855 7.807 -0.099 181 HD11 ILE 22 3HD1 ILE 22 0.324 5.994 0.746 182 HD12 ILE 22 1HD1 ILE 22 -0.381 5.179 -0.651 183 HD13 ILE 22 2HD1 ILE 22 -0.961 4.810 0.973 184 H THR 23 H THR 23 -4.364 8.320 0.624 185 HA THR 23 HA THR 23 -4.075 10.565 2.439 186 HB THR 23 HB THR 23 -6.052 9.653 3.610 187 HG1 THR 23 HG1 THR 23 -6.245 7.675 1.584 188 HG21 THR 23 3HG2 THR 23 -7.662 9.952 1.775 189 HG22 THR 23 1HG2 THR 23 -6.349 9.811 0.605 190 HG23 THR 23 2HG2 THR 23 -6.385 11.168 1.734 191 H GLU 24 H GLU 24 -4.120 10.268 4.799 192 HA GLU 24 HA GLU 24 -1.878 8.893 5.722 193 HB2 GLU 24 2HB GLU 24 -4.244 9.814 7.369 194 HB3 GLU 24 1HB GLU 24 -2.609 9.524 7.952 195 HG2 GLU 24 2HG GLU 24 -3.396 11.641 5.954 196 HG3 GLU 24 1HG GLU 24 -3.107 11.916 7.666 197 H GLU 25 H GLU 25 -5.313 7.982 5.935 198 HA GLU 25 HA GLU 25 -5.020 5.569 7.319 199 HB2 GLU 25 2HB GLU 25 -7.209 6.498 6.972 200 HB3 GLU 25 1HB GLU 25 -7.036 6.398 5.224 201 HG2 GLU 25 2HG GLU 25 -7.104 3.985 5.306 202 HG3 GLU 25 1HG GLU 25 -7.120 4.014 7.069 203 H GLU 26 H GLU 26 -5.038 6.114 3.784 204 HA GLU 26 HA GLU 26 -4.547 3.441 3.043 205 HB2 GLU 26 2HB GLU 26 -3.898 6.020 1.603 206 HB3 GLU 26 1HB GLU 26 -3.741 4.426 0.879 207 HG2 GLU 26 2HG GLU 26 -6.117 4.041 1.095 208 HG3 GLU 26 1HG GLU 26 -6.321 5.567 1.953 209 H LYS 27 H LYS 27 -2.336 6.045 3.931 210 HA LYS 27 HA LYS 27 0.094 4.746 3.291 211 HB2 LYS 27 2HB LYS 27 -0.586 6.851 5.356 212 HB3 LYS 27 1HB LYS 27 1.060 6.310 5.051 213 HG2 LYS 27 2HG LYS 27 1.087 7.227 2.890 214 HG3 LYS 27 1HG LYS 27 -0.669 7.377 2.837 215 HD2 LYS 27 2HD LYS 27 0.423 9.555 3.130 216 HD3 LYS 27 1HD LYS 27 -0.594 9.146 4.511 217 HE2 LYS 27 2HE LYS 27 1.424 8.399 5.733 218 HE3 LYS 27 1HE LYS 27 2.413 8.901 4.360 219 HZ1 LYS 27 3HZ LYS 27 0.677 10.693 5.977 220 HZ2 LYS 27 1HZ LYS 27 1.652 11.168 4.680 221 HZ3 LYS 27 2HZ LYS 27 2.360 10.585 6.099 222 H ALA 28 H ALA 28 -1.788 4.831 6.319 223 HA ALA 28 HA ALA 28 -0.145 3.139 7.849 224 HB1 ALA 28 3HB ALA 28 -1.951 4.500 8.802 225 HB2 ALA 28 1HB ALA 28 -2.104 2.805 9.267 226 HB3 ALA 28 2HB ALA 28 -3.145 3.472 8.007 227 H GLU 29 H GLU 29 -2.931 2.396 5.773 228 HA GLU 29 HA GLU 29 -2.942 -0.397 6.048 229 HB2 GLU 29 2HB GLU 29 -4.754 0.921 4.982 230 HB3 GLU 29 1HB GLU 29 -3.699 1.263 3.620 231 HG2 GLU 29 2HG GLU 29 -5.177 -0.478 2.968 232 HG3 GLU 29 1HG GLU 29 -3.582 -1.194 3.184 233 H GLN 30 H GLN 30 -1.219 1.698 3.759 234 HA GLN 30 HA GLN 30 -0.025 -0.249 2.155 235 HB2 GLN 30 2HB GLN 30 -0.052 2.186 1.672 236 HB3 GLN 30 1HB GLN 30 1.123 2.437 2.957 237 HG2 GLN 30 2HG GLN 30 2.719 1.002 1.721 238 HG3 GLN 30 1HG GLN 30 1.543 0.874 0.413 239 HE21 GLN 30 1HE2 GLN 30 2.878 1.869 -1.079 240 HE22 GLN 30 2HE2 GLN 30 3.232 3.554 -1.023 241 H GLN 31 H GLN 31 1.161 1.234 5.174 242 HA GLN 31 HA GLN 31 3.599 -0.193 5.309 243 HB2 GLN 31 2HB GLN 31 3.158 1.787 6.690 244 HB3 GLN 31 1HB GLN 31 1.895 0.920 7.557 245 HG2 GLN 31 2HG GLN 31 3.536 -0.624 8.458 246 HG3 GLN 31 1HG GLN 31 4.816 0.166 7.542 247 HE21 GLN 31 1HE2 GLN 31 4.508 -0.228 10.424 248 HE22 GLN 31 2HE2 GLN 31 4.584 1.350 11.123 249 H LYS 32 H LYS 32 0.459 -0.835 6.861 250 HA LYS 32 HA LYS 32 0.907 -3.234 8.103 251 HB2 LYS 32 2HB LYS 32 -1.187 -2.039 8.267 252 HB3 LYS 32 1HB LYS 32 -1.508 -2.264 6.560 253 HG2 LYS 32 2HG LYS 32 -1.321 -4.620 8.415 254 HG3 LYS 32 1HG LYS 32 -2.805 -3.677 8.275 255 HD2 LYS 32 2HD LYS 32 -2.421 -4.081 5.687 256 HD3 LYS 32 1HD LYS 32 -1.476 -5.453 6.267 257 HE2 LYS 32 2HE LYS 32 -3.730 -6.178 5.813 258 HE3 LYS 32 1HE LYS 32 -3.454 -6.216 7.554 259 HZ1 LYS 32 3HZ LYS 32 -4.698 -4.238 7.831 260 HZ2 LYS 32 1HZ LYS 32 -5.624 -5.242 6.831 261 HZ3 LYS 32 2HZ LYS 32 -4.764 -3.944 6.171 262 H LEU 33 H LEU 33 -0.092 -2.824 4.705 263 HA LEU 33 HA LEU 33 -0.047 -5.550 4.004 264 HG LEU 33 HG LEU 33 -1.866 -3.148 3.464 265 HB2 LEU 33 2HB LEU 33 0.333 -3.113 2.262 266 HB3 LEU 33 1HB LEU 33 -0.011 -4.727 1.671 267 HD11 LEU 33 1HD1 LEU 33 -1.984 -3.578 0.479 268 HD12 LEU 33 2HD1 LEU 33 -1.620 -2.057 1.294 269 HD13 LEU 33 3HD1 LEU 33 -3.214 -2.788 1.465 270 HD21 LEU 33 3HD2 LEU 33 -3.522 -4.835 2.800 271 HD22 LEU 33 1HD2 LEU 33 -2.157 -5.562 3.649 272 HD23 LEU 33 2HD2 LEU 33 -2.278 -5.699 1.894 273 H ARG 34 H ARG 34 2.501 -3.095 3.957 274 HA ARG 34 HA ARG 34 4.375 -4.655 2.501 275 HE ARG 34 HE ARG 34 3.814 -0.124 3.384 276 HB2 ARG 34 2HB ARG 34 4.635 -2.217 4.241 277 HB3 ARG 34 1HB ARG 34 6.059 -3.013 3.578 278 HG2 ARG 34 2HG ARG 34 5.288 -2.653 1.327 279 HG3 ARG 34 1HG ARG 34 3.753 -2.014 1.910 280 HD2 ARG 34 2HD ARG 34 6.423 -0.755 2.519 281 HD3 ARG 34 1HD ARG 34 5.423 -0.294 1.142 282 HH11 ARG 34 1HH1 ARG 34 6.701 1.365 2.247 283 HH12 ARG 34 2HH1 ARG 34 6.358 2.875 3.020 284 HH21 ARG 34 1HH2 ARG 34 3.384 1.832 4.367 285 HH22 ARG 34 2HH2 ARG 34 4.513 3.130 4.212 286 H GLN 35 H GLN 35 3.726 -4.369 6.003 287 HA GLN 35 HA GLN 35 5.776 -6.174 6.791 288 HB2 GLN 35 2HB GLN 35 3.186 -5.328 8.066 289 HB3 GLN 35 1HB GLN 35 4.104 -6.661 8.749 290 HG2 GLN 35 2HG GLN 35 4.732 -4.748 9.960 291 HG3 GLN 35 1HG GLN 35 6.075 -5.102 8.879 292 HE21 GLN 35 1HE2 GLN 35 6.448 -3.718 7.108 293 HE22 GLN 35 2HE2 GLN 35 5.784 -2.127 7.058 294 H GLU 36 H GLU 36 2.397 -6.666 5.804 295 HA GLU 36 HA GLU 36 2.200 -9.429 6.038 296 HB2 GLU 36 2HB GLU 36 1.093 -7.679 3.822 297 HB3 GLU 36 1HB GLU 36 0.559 -9.314 4.179 298 HG2 GLU 36 2HG GLU 36 0.365 -7.032 6.135 299 HG3 GLU 36 1HG GLU 36 -0.925 -7.485 5.024 300 H TYR 37 H TYR 37 3.558 -7.494 3.409 301 HA TYR 37 HA TYR 37 4.262 -9.618 1.683 302 HD1 TYR 37 HD2 TYR 37 4.357 -8.694 -1.068 303 HD2 TYR 37 HD1 TYR 37 7.702 -7.253 1.147 304 HE1 TYR 37 HE2 TYR 37 5.821 -9.176 -2.984 305 HE2 TYR 37 HE1 TYR 37 9.175 -7.728 -0.763 306 HH TYR 37 HH TYR 37 8.045 -8.362 -3.862 307 HB2 TYR 37 2HB TYR 37 4.077 -7.273 0.957 308 HB3 TYR 37 1HB TYR 37 5.474 -6.850 1.939 309 H LEU 38 H LEU 38 6.002 -8.025 4.324 310 HA LEU 38 HA LEU 38 8.506 -9.307 3.816 311 HG LEU 38 HG LEU 38 7.793 -6.364 4.388 312 HB2 LEU 38 2HB LEU 38 7.457 -7.910 6.279 313 HB3 LEU 38 1HB LEU 38 9.105 -8.485 6.102 314 HD11 LEU 38 1HD1 LEU 38 9.332 -4.822 5.493 315 HD12 LEU 38 2HD1 LEU 38 9.906 -6.128 6.528 316 HD13 LEU 38 3HD1 LEU 38 8.236 -5.576 6.649 317 HD21 LEU 38 3HD2 LEU 38 10.625 -7.411 4.387 318 HD22 LEU 38 1HD2 LEU 38 10.042 -6.026 3.460 319 HD23 LEU 38 2HD2 LEU 38 9.423 -7.641 3.115 320 H LYS 39 H LYS 39 5.624 -10.368 5.374 321 HA LYS 39 HA LYS 39 6.696 -12.254 7.184 322 HB2 LYS 39 2HB LYS 39 4.067 -12.345 5.680 323 HB3 LYS 39 1HB LYS 39 4.482 -13.368 7.045 324 HG2 LYS 39 2HG LYS 39 4.182 -10.369 7.093 325 HG3 LYS 39 1HG LYS 39 3.044 -11.550 7.738 326 HD2 LYS 39 2HD LYS 39 4.771 -12.304 9.342 327 HD3 LYS 39 1HD LYS 39 5.868 -11.070 8.716 328 HE2 LYS 39 2HE LYS 39 4.251 -9.327 9.387 329 HE3 LYS 39 1HE LYS 39 3.201 -10.579 10.050 330 HZ1 LYS 39 3HZ LYS 39 4.515 -9.544 11.773 331 HZ2 LYS 39 1HZ LYS 39 5.950 -9.948 10.978 332 HZ3 LYS 39 2HZ LYS 39 4.961 -11.166 11.610 333 H GLY 40 H GLY 40 8.087 -13.814 6.644 334 HA2 GLY 40 2HA GLY 40 8.754 -15.823 5.646 335 HA3 GLY 40 1HA GLY 40 7.468 -15.643 4.462 336 H PHE 41 H PHE 41 8.225 -12.947 3.668 337 HA PHE 41 HA PHE 41 9.967 -13.512 1.554 338 HD1 PHE 41 HD2 PHE 41 9.473 -12.064 -0.733 339 HD2 PHE 41 HD1 PHE 41 11.034 -9.395 2.197 340 HE1 PHE 41 HE2 PHE 41 10.805 -10.938 -2.469 341 HE2 PHE 41 HE1 PHE 41 12.368 -8.267 0.465 342 HZ PHE 41 HZ PHE 41 12.252 -9.040 -1.875 343 HB2 PHE 41 2HB PHE 41 8.353 -11.668 1.514 344 HB3 PHE 41 1HB PHE 41 9.261 -10.829 2.765 345 H ARG 42 H ARG 42 10.637 -11.937 4.674 346 HA ARG 42 HA ARG 42 13.394 -11.430 4.062 347 HE ARG 42 HE ARG 42 10.570 -10.053 7.619 348 HB2 ARG 42 2HB ARG 42 11.923 -11.415 6.710 349 HB3 ARG 42 1HB ARG 42 13.587 -10.886 6.494 350 HG2 ARG 42 2HG ARG 42 12.841 -9.120 4.976 351 HG3 ARG 42 1HG ARG 42 11.170 -9.654 5.168 352 HD2 ARG 42 2HD ARG 42 12.946 -8.634 7.393 353 HD3 ARG 42 1HD ARG 42 11.706 -7.693 6.567 354 HH11 ARG 42 1HH1 ARG 42 11.840 -7.013 8.658 355 HH12 ARG 42 2HH1 ARG 42 10.835 -6.946 10.060 356 HH21 ARG 42 1HH2 ARG 42 9.281 -9.952 9.429 357 HH22 ARG 42 2HH2 ARG 42 9.409 -8.593 10.493 358 H SER 43 H SER 43 11.650 -14.054 5.617 359 HA SER 43 HA SER 43 12.253 -16.161 6.248 360 HG SER 43 HG SER 43 14.417 -18.003 4.149 361 HB2 SER 43 2HB SER 43 13.032 -16.250 3.893 362 HB3 SER 43 1HB SER 43 14.618 -15.685 4.408 363 H SER 44 H SER 44 13.264 -13.863 7.796 364 HA SER 44 HA SER 44 14.621 -13.318 9.526 365 HG SER 44 HG SER 44 14.995 -16.908 8.980 366 HB2 SER 44 2HB SER 44 15.215 -15.012 11.086 367 HB3 SER 44 1HB SER 44 13.717 -15.554 10.335 368 H MET 45 H MET 45 15.887 -13.984 6.730 369 HA MET 45 HA MET 45 18.635 -14.544 7.507 370 HB2 MET 45 2HB MET 45 17.639 -15.545 5.454 371 HB3 MET 45 1HB MET 45 17.522 -13.935 4.757 372 HG2 MET 45 2HG MET 45 19.475 -15.168 3.940 373 HG3 MET 45 1HG MET 45 19.935 -13.703 4.811 374 HE1 MET 45 3HE MET 45 21.961 -16.108 4.131 375 HE2 MET 45 1HE MET 45 22.844 -16.221 5.655 376 HE3 MET 45 2HE MET 45 22.444 -14.641 4.982 377 H LYS 46 H LYS 46 20.210 -13.084 7.732 378 HA LYS 46 HA LYS 46 21.202 -11.094 8.153 379 HB2 LYS 46 2HB LYS 46 21.359 -10.928 5.730 380 HB3 LYS 46 1HB LYS 46 19.734 -10.255 5.639 381 HG2 LYS 46 2HG LYS 46 20.470 -8.271 6.854 382 HG3 LYS 46 1HG LYS 46 22.089 -8.948 7.010 383 HD2 LYS 46 2HD LYS 46 20.725 -8.280 4.394 384 HD3 LYS 46 1HD LYS 46 21.920 -7.270 5.203 385 HE2 LYS 46 2HE LYS 46 23.535 -9.174 5.041 386 HE3 LYS 46 1HE LYS 46 22.340 -10.037 4.071 387 HZ1 LYS 46 3HZ LYS 46 23.956 -8.915 2.685 388 HZ2 LYS 46 1HZ LYS 46 23.574 -7.423 3.384 389 HZ3 LYS 46 2HZ LYS 46 22.424 -8.242 2.454 390 H LEU 47 H LEU 47 20.187 -10.676 10.110 391 HA LEU 47 HA LEU 47 18.064 -8.619 10.012 392 HG LEU 47 HG LEU 47 16.267 -10.071 12.932 393 HB2 LEU 47 2HB LEU 47 17.644 -10.920 11.148 394 HB3 LEU 47 1HB LEU 47 18.681 -10.318 12.426 395 HD11 LEU 47 1HD1 LEU 47 17.672 -7.421 12.620 396 HD12 LEU 47 2HD1 LEU 47 17.876 -8.544 13.966 397 HD13 LEU 47 3HD1 LEU 47 16.314 -7.770 13.691 398 HD21 LEU 47 3HD2 LEU 47 14.912 -8.443 11.734 399 HD22 LEU 47 1HD2 LEU 47 15.473 -9.709 10.643 400 HD23 LEU 47 2HD2 LEU 47 16.244 -8.123 10.626 401 H GLU 48 H GLU 48 18.795 -6.634 10.475 402 HA GLU 48 HA GLU 48 21.409 -6.291 11.711 403 HB2 GLU 48 2HB GLU 48 20.629 -5.024 9.660 404 HB3 GLU 48 1HB GLU 48 19.542 -4.129 10.714 405 HG2 GLU 48 2HG GLU 48 21.493 -2.808 10.369 406 HG3 GLU 48 1HG GLU 48 21.519 -3.393 12.031 Start of MODEL 6 1 HA MET 1 HA MET 1 1.412 -15.386 4.135 2 H1 MET 1 1H MET 1 0.302 -17.539 4.063 3 H2 MET 1 2H MET 1 -0.887 -16.906 3.048 4 H3 MET 1 3H MET 1 -0.730 -16.324 4.629 5 HB2 MET 1 2HB MET 1 0.908 -16.479 1.350 6 HB3 MET 1 1HB MET 1 2.209 -15.369 1.762 7 HG2 MET 1 2HG MET 1 1.849 -18.159 2.845 8 HG3 MET 1 1HG MET 1 3.002 -17.665 1.605 9 HE1 MET 1 3HE MET 1 3.825 -19.281 4.218 10 HE2 MET 1 1HE MET 1 5.296 -18.431 4.691 11 HE3 MET 1 2HE MET 1 4.985 -18.776 2.988 12 H ILE 2 H ILE 2 1.716 -13.462 2.388 13 HA ILE 2 HA ILE 2 -0.495 -11.738 2.644 14 HB ILE 2 HB ILE 2 1.723 -10.825 2.427 15 HG12 ILE 2 2HG1 ILE 2 0.068 -10.073 -0.005 16 HG13 ILE 2 1HG1 ILE 2 -0.179 -9.451 1.625 17 HG21 ILE 2 1HG2 ILE 2 2.735 -12.518 1.011 18 HG22 ILE 2 2HG2 ILE 2 3.001 -10.913 0.329 19 HG23 ILE 2 3HG2 ILE 2 1.773 -11.976 -0.366 20 HD11 ILE 2 3HD1 ILE 2 1.001 -7.846 0.258 21 HD12 ILE 2 1HD1 ILE 2 2.265 -9.029 -0.083 22 HD13 ILE 2 2HD1 ILE 2 2.039 -8.423 1.560 23 H SER 3 H SER 3 -2.331 -11.647 1.542 24 HA SER 3 HA SER 3 -2.954 -13.397 -0.584 25 HG SER 3 HG SER 3 -5.082 -13.556 1.054 26 HB2 SER 3 2HB SER 3 -4.466 -10.912 0.280 27 HB3 SER 3 1HB SER 3 -5.111 -12.238 -0.686 28 H ASN 4 H ASN 4 -3.271 -13.063 -2.777 29 HA ASN 4 HA ASN 4 -1.474 -11.450 -4.142 30 HB2 ASN 4 2HB ASN 4 -2.550 -13.430 -5.128 31 HB3 ASN 4 1HB ASN 4 -4.087 -12.576 -5.185 32 HD21 ASN 4 1HD2 ASN 4 -0.877 -12.781 -6.527 33 HD22 ASN 4 2HD2 ASN 4 -1.225 -11.895 -7.972 34 H ALA 5 H ALA 5 -4.813 -10.754 -3.260 35 HA ALA 5 HA ALA 5 -5.151 -8.362 -4.711 36 HB1 ALA 5 3HB ALA 5 -7.010 -7.924 -3.195 37 HB2 ALA 5 1HB ALA 5 -6.421 -9.170 -2.094 38 HB3 ALA 5 2HB ALA 5 -7.001 -9.615 -3.699 39 H LYS 6 H LYS 6 -3.776 -9.003 -1.519 40 HA LYS 6 HA LYS 6 -3.485 -6.319 -0.682 41 HB2 LYS 6 2HB LYS 6 -1.906 -8.792 0.055 42 HB3 LYS 6 1HB LYS 6 -1.738 -7.241 0.866 43 HG2 LYS 6 2HG LYS 6 -4.075 -7.359 1.586 44 HG3 LYS 6 1HG LYS 6 -4.253 -8.906 0.755 45 HD2 LYS 6 2HD LYS 6 -2.587 -9.915 2.211 46 HD3 LYS 6 1HD LYS 6 -2.302 -8.362 3.003 47 HE2 LYS 6 2HE LYS 6 -4.580 -8.358 3.860 48 HE3 LYS 6 1HE LYS 6 -4.928 -9.861 3.006 49 HZ1 LYS 6 3HZ LYS 6 -2.906 -9.554 5.163 50 HZ2 LYS 6 1HZ LYS 6 -3.310 -10.992 4.374 51 HZ3 LYS 6 2HZ LYS 6 -4.445 -10.223 5.358 52 H ILE 7 H ILE 7 -1.254 -8.530 -2.363 53 HA ILE 7 HA ILE 7 0.971 -6.837 -2.548 54 HB ILE 7 HB ILE 7 0.095 -8.878 -4.613 55 HG12 ILE 7 2HG1 ILE 7 1.850 -9.241 -2.167 56 HG13 ILE 7 1HG1 ILE 7 0.198 -9.826 -2.323 57 HG21 ILE 7 1HG2 ILE 7 1.869 -7.400 -5.420 58 HG22 ILE 7 2HG2 ILE 7 2.489 -9.030 -5.154 59 HG23 ILE 7 3HG2 ILE 7 2.833 -7.754 -3.985 60 HD11 ILE 7 3HD1 ILE 7 0.894 -11.292 -4.145 61 HD12 ILE 7 1HD1 ILE 7 1.794 -11.611 -2.665 62 HD13 ILE 7 2HD1 ILE 7 2.550 -10.709 -3.978 63 H ALA 8 H ALA 8 -1.724 -7.266 -4.851 64 HA ALA 8 HA ALA 8 -0.940 -5.318 -6.721 65 HB1 ALA 8 3HB ALA 8 -2.670 -6.985 -7.177 66 HB2 ALA 8 1HB ALA 8 -3.268 -5.354 -7.475 67 HB3 ALA 8 2HB ALA 8 -3.738 -6.212 -6.004 68 H ARG 9 H ARG 9 -2.932 -5.062 -3.800 69 HA ARG 9 HA ARG 9 -3.670 -2.361 -4.023 70 HE ARG 9 HE ARG 9 -5.454 -0.308 -0.062 71 HB2 ARG 9 2HB ARG 9 -4.724 -3.904 -2.450 72 HB3 ARG 9 1HB ARG 9 -3.221 -4.062 -1.556 73 HG2 ARG 9 2HG ARG 9 -4.708 -2.612 -0.353 74 HG3 ARG 9 1HG ARG 9 -3.352 -1.669 -0.962 75 HD2 ARG 9 2HD ARG 9 -4.741 -0.829 -2.793 76 HD3 ARG 9 1HD ARG 9 -6.094 -1.813 -2.228 77 HH11 ARG 9 1HH1 ARG 9 -6.227 0.475 -3.328 78 HH12 ARG 9 2HH1 ARG 9 -6.890 2.007 -2.902 79 HH21 ARG 9 1HH2 ARG 9 -6.275 1.664 0.450 80 HH22 ARG 9 2HH2 ARG 9 -6.895 2.696 -0.797 81 H ILE 10 H ILE 10 -0.750 -3.866 -2.658 82 HA ILE 10 HA ILE 10 0.471 -1.590 -1.567 83 HB ILE 10 HB ILE 10 1.787 -3.973 -2.901 84 HG12 ILE 10 2HG1 ILE 10 1.328 -3.362 0.032 85 HG13 ILE 10 1HG1 ILE 10 0.378 -4.498 -0.922 86 HG21 ILE 10 1HG2 ILE 10 3.818 -3.320 -1.655 87 HG22 ILE 10 2HG2 ILE 10 3.009 -1.841 -1.144 88 HG23 ILE 10 3HG2 ILE 10 3.346 -2.116 -2.852 89 HD11 ILE 10 3HD1 ILE 10 2.381 -5.866 -1.270 90 HD12 ILE 10 1HD1 ILE 10 2.007 -5.659 0.441 91 HD13 ILE 10 2HD1 ILE 10 3.316 -4.731 -0.292 92 H ASN 11 H ASN 11 0.826 -2.948 -4.854 93 HA ASN 11 HA ASN 11 2.538 -0.994 -5.892 94 HB2 ASN 11 2HB ASN 11 0.420 -2.559 -7.389 95 HB3 ASN 11 1HB ASN 11 1.804 -1.745 -8.113 96 HD21 ASN 11 1HD2 ASN 11 1.122 -4.527 -8.289 97 HD22 ASN 11 2HD2 ASN 11 2.426 -5.415 -7.577 98 H GLU 12 H GLU 12 -1.004 -1.048 -5.738 99 HA GLU 12 HA GLU 12 -1.470 1.293 -7.248 100 HB2 GLU 12 2HB GLU 12 -3.210 -0.377 -6.672 101 HB3 GLU 12 1HB GLU 12 -3.136 0.137 -4.994 102 HG2 GLU 12 2HG GLU 12 -3.919 2.358 -5.621 103 HG3 GLU 12 1HG GLU 12 -3.948 1.878 -7.316 104 H LEU 13 H LEU 13 -1.118 0.807 -3.738 105 HA LEU 13 HA LEU 13 -1.445 3.560 -3.074 106 HG LEU 13 HG LEU 13 -2.651 0.905 -1.940 107 HB2 LEU 13 2HB LEU 13 -0.276 1.271 -1.484 108 HB3 LEU 13 1HB LEU 13 -0.626 2.862 -0.827 109 HD11 LEU 13 1HD1 LEU 13 -3.479 0.781 0.342 110 HD12 LEU 13 2HD1 LEU 13 -2.220 1.892 0.880 111 HD13 LEU 13 3HD1 LEU 13 -1.785 0.295 0.271 112 HD21 LEU 13 3HD2 LEU 13 -3.025 3.690 -0.834 113 HD22 LEU 13 1HD2 LEU 13 -4.332 2.550 -1.166 114 HD23 LEU 13 2HD2 LEU 13 -3.333 3.155 -2.487 115 H ALA 14 H ALA 14 1.340 1.593 -3.888 116 HA ALA 14 HA ALA 14 3.384 3.349 -3.071 117 HB1 ALA 14 3HB ALA 14 4.800 2.174 -4.688 118 HB2 ALA 14 1HB ALA 14 3.372 1.446 -5.425 119 HB3 ALA 14 2HB ALA 14 3.816 1.036 -3.767 120 H ALA 15 H ALA 15 1.568 3.107 -6.118 121 HA ALA 15 HA ALA 15 2.801 5.253 -7.471 122 HB1 ALA 15 3HB ALA 15 -0.023 4.209 -7.759 123 HB2 ALA 15 1HB ALA 15 1.399 3.601 -8.607 124 HB3 ALA 15 2HB ALA 15 0.822 5.238 -8.916 125 H LYS 16 H LYS 16 -0.231 5.177 -5.561 126 HA LYS 16 HA LYS 16 -0.835 7.900 -5.654 127 HB2 LYS 16 2HB LYS 16 -1.300 5.951 -3.385 128 HB3 LYS 16 1HB LYS 16 -2.051 7.535 -3.513 129 HG2 LYS 16 2HG LYS 16 -3.094 6.790 -5.660 130 HG3 LYS 16 1HG LYS 16 -2.456 5.172 -5.340 131 HD2 LYS 16 2HD LYS 16 -3.702 5.116 -3.216 132 HD3 LYS 16 1HD LYS 16 -4.363 6.715 -3.566 133 HE2 LYS 16 2HE LYS 16 -5.385 5.771 -5.635 134 HE3 LYS 16 1HE LYS 16 -4.816 4.178 -5.142 135 HZ1 LYS 16 3HZ LYS 16 -6.811 5.886 -3.774 136 HZ2 LYS 16 1HZ LYS 16 -6.120 4.527 -3.048 137 HZ3 LYS 16 2HZ LYS 16 -7.046 4.360 -4.451 138 H ALA 17 H ALA 17 1.384 6.155 -3.529 139 HA ALA 17 HA ALA 17 2.005 8.260 -1.763 140 HB1 ALA 17 3HB ALA 17 3.971 6.952 -1.160 141 HB2 ALA 17 1HB ALA 17 3.757 5.943 -2.590 142 HB3 ALA 17 2HB ALA 17 2.553 5.914 -1.301 143 H LYS 18 H LYS 18 3.828 7.110 -4.620 144 HA LYS 18 HA LYS 18 5.711 9.225 -4.561 145 HB2 LYS 18 2HB LYS 18 4.924 7.376 -6.821 146 HB3 LYS 18 1HB LYS 18 6.319 8.449 -6.845 147 HG2 LYS 18 2HG LYS 18 7.124 7.246 -4.764 148 HG3 LYS 18 1HG LYS 18 5.852 6.062 -5.069 149 HD2 LYS 18 2HD LYS 18 8.073 6.779 -6.993 150 HD3 LYS 18 1HD LYS 18 8.041 5.349 -5.963 151 HE2 LYS 18 2HE LYS 18 6.054 4.537 -7.112 152 HE3 LYS 18 1HE LYS 18 6.009 5.997 -8.101 153 HZ1 LYS 18 3HZ LYS 18 8.155 5.378 -9.037 154 HZ2 LYS 18 1HZ LYS 18 7.009 4.158 -9.296 155 HZ3 LYS 18 2HZ LYS 18 8.184 3.978 -8.095 156 H ALA 19 H ALA 19 2.497 9.041 -5.829 157 HA ALA 19 HA ALA 19 2.768 11.428 -7.459 158 HB1 ALA 19 3HB ALA 19 0.281 9.905 -6.670 159 HB2 ALA 19 1HB ALA 19 1.229 9.634 -8.131 160 HB3 ALA 19 2HB ALA 19 0.385 11.164 -7.901 161 H GLY 20 H GLY 20 2.165 10.703 -4.170 162 HA2 GLY 20 2HA GLY 20 1.887 12.127 -2.369 163 HA3 GLY 20 1HA GLY 20 1.854 13.481 -3.489 164 H VAL 21 H VAL 21 -0.373 10.942 -4.128 165 HA VAL 21 HA VAL 21 -2.581 12.669 -3.199 166 HB VAL 21 HB VAL 21 -3.997 11.549 -4.848 167 HG11 VAL 21 1HG1 VAL 21 -2.786 13.539 -5.552 168 HG12 VAL 21 2HG1 VAL 21 -2.929 12.406 -6.894 169 HG13 VAL 21 3HG1 VAL 21 -1.399 12.556 -6.028 170 HG21 VAL 21 3HG2 VAL 21 -3.059 9.962 -6.468 171 HG22 VAL 21 1HG2 VAL 21 -2.948 9.336 -4.822 172 HG23 VAL 21 2HG2 VAL 21 -1.516 9.995 -5.614 173 H ILE 22 H ILE 22 -0.964 10.193 -1.985 174 HA ILE 22 HA ILE 22 -3.113 8.363 -1.363 175 HB ILE 22 HB ILE 22 -0.804 7.561 -1.685 176 HG12 ILE 22 2HG1 ILE 22 -1.831 7.080 1.128 177 HG13 ILE 22 1HG1 ILE 22 -2.411 6.260 -0.317 178 HG21 ILE 22 1HG2 ILE 22 0.900 7.935 0.038 179 HG22 ILE 22 2HG2 ILE 22 -0.193 9.031 0.882 180 HG23 ILE 22 3HG2 ILE 22 0.404 9.444 -0.725 181 HD11 ILE 22 3HD1 ILE 22 -0.887 4.844 0.885 182 HD12 ILE 22 1HD1 ILE 22 0.358 6.090 0.847 183 HD13 ILE 22 2HD1 ILE 22 -0.164 5.318 -0.651 184 H THR 23 H THR 23 -4.373 8.335 0.423 185 HA THR 23 HA THR 23 -4.255 10.470 2.355 186 HB THR 23 HB THR 23 -6.157 9.387 3.439 187 HG1 THR 23 HG1 THR 23 -6.158 7.295 1.547 188 HG21 THR 23 3HG2 THR 23 -7.752 9.366 1.562 189 HG22 THR 23 1HG2 THR 23 -6.404 9.314 0.423 190 HG23 THR 23 2HG2 THR 23 -6.638 10.729 1.451 191 H GLU 24 H GLU 24 -3.975 10.185 4.684 192 HA GLU 24 HA GLU 24 -1.749 8.550 5.319 193 HB2 GLU 24 2HB GLU 24 -3.628 10.014 7.177 194 HB3 GLU 24 1HB GLU 24 -2.085 9.306 7.645 195 HG2 GLU 24 2HG GLU 24 -1.363 10.896 5.529 196 HG3 GLU 24 1HG GLU 24 -2.664 11.830 6.262 197 H GLU 25 H GLU 25 -5.152 8.002 5.466 198 HA GLU 25 HA GLU 25 -5.150 5.710 7.131 199 HB2 GLU 25 2HB GLU 25 -7.004 6.452 4.851 200 HB3 GLU 25 1HB GLU 25 -7.299 5.157 6.000 201 HG2 GLU 25 2HG GLU 25 -8.607 7.014 6.678 202 HG3 GLU 25 1HG GLU 25 -7.282 6.866 7.826 203 H GLU 26 H GLU 26 -4.891 6.113 3.600 204 HA GLU 26 HA GLU 26 -4.414 3.351 3.056 205 HB2 GLU 26 2HB GLU 26 -3.847 5.842 1.435 206 HB3 GLU 26 1HB GLU 26 -3.615 4.207 0.827 207 HG2 GLU 26 2HG GLU 26 -5.963 3.733 1.039 208 HG3 GLU 26 1HG GLU 26 -6.246 5.287 1.822 209 H LYS 27 H LYS 27 -2.322 6.051 3.911 210 HA LYS 27 HA LYS 27 0.168 4.787 3.421 211 HB2 LYS 27 2HB LYS 27 -0.629 6.935 5.401 212 HB3 LYS 27 1HB LYS 27 1.030 6.391 5.194 213 HG2 LYS 27 2HG LYS 27 1.092 7.184 2.943 214 HG3 LYS 27 1HG LYS 27 -0.641 7.508 2.948 215 HD2 LYS 27 2HD LYS 27 0.707 9.561 3.187 216 HD3 LYS 27 1HD LYS 27 -0.341 9.284 4.575 217 HE2 LYS 27 2HE LYS 27 1.580 8.353 5.811 218 HE3 LYS 27 1HE LYS 27 2.616 8.687 4.422 219 HZ1 LYS 27 3HZ LYS 27 2.027 11.058 4.672 220 HZ2 LYS 27 1HZ LYS 27 2.845 10.438 6.017 221 HZ3 LYS 27 2HZ LYS 27 1.176 10.685 6.082 222 H ALA 28 H ALA 28 -2.013 4.765 6.202 223 HA ALA 28 HA ALA 28 -0.403 3.118 7.876 224 HB1 ALA 28 3HB ALA 28 -2.218 4.509 8.759 225 HB2 ALA 28 1HB ALA 28 -2.458 2.814 9.186 226 HB3 ALA 28 2HB ALA 28 -3.401 3.537 7.882 227 H GLU 29 H GLU 29 -3.049 2.436 5.609 228 HA GLU 29 HA GLU 29 -3.225 -0.335 5.980 229 HB2 GLU 29 2HB GLU 29 -4.955 0.845 4.804 230 HB3 GLU 29 1HB GLU 29 -3.824 1.406 3.582 231 HG2 GLU 29 2HG GLU 29 -3.594 -0.797 2.679 232 HG3 GLU 29 1HG GLU 29 -4.515 -1.494 4.012 233 H GLN 30 H GLN 30 -1.432 1.454 3.446 234 HA GLN 30 HA GLN 30 -0.196 -0.724 2.239 235 HB2 GLN 30 2HB GLN 30 -0.133 1.482 1.232 236 HB3 GLN 30 1HB GLN 30 0.828 2.105 2.565 237 HG2 GLN 30 2HG GLN 30 2.715 0.776 1.910 238 HG3 GLN 30 1HG GLN 30 1.759 -0.068 0.696 239 HE21 GLN 30 1HE2 GLN 30 1.434 3.376 1.181 240 HE22 GLN 30 2HE2 GLN 30 2.193 3.837 -0.296 241 H GLN 31 H GLN 31 0.848 1.141 5.072 242 HA GLN 31 HA GLN 31 3.345 -0.037 5.478 243 HB2 GLN 31 2HB GLN 31 2.549 1.931 6.708 244 HB3 GLN 31 1HB GLN 31 1.361 0.947 7.549 245 HG2 GLN 31 2HG GLN 31 3.091 -0.255 8.700 246 HG3 GLN 31 1HG GLN 31 4.340 0.545 7.748 247 HE21 GLN 31 1HE2 GLN 31 3.914 0.463 10.645 248 HE22 GLN 31 2HE2 GLN 31 3.807 2.107 11.157 249 H LYS 32 H LYS 32 0.149 -1.082 6.645 250 HA LYS 32 HA LYS 32 0.918 -3.425 7.993 251 HB2 LYS 32 2HB LYS 32 -1.317 -2.621 8.262 252 HB3 LYS 32 1HB LYS 32 -1.613 -2.652 6.528 253 HG2 LYS 32 2HG LYS 32 -1.409 -5.154 6.619 254 HG3 LYS 32 1HG LYS 32 -1.350 -5.020 8.377 255 HD2 LYS 32 2HD LYS 32 -3.610 -3.971 6.663 256 HD3 LYS 32 1HD LYS 32 -3.617 -5.547 7.455 257 HE2 LYS 32 2HE LYS 32 -3.354 -2.896 8.879 258 HE3 LYS 32 1HE LYS 32 -4.854 -3.808 8.720 259 HZ1 LYS 32 3HZ LYS 32 -2.390 -4.725 10.099 260 HZ2 LYS 32 1HZ LYS 32 -3.800 -5.640 9.913 261 HZ3 LYS 32 2HZ LYS 32 -3.822 -4.229 10.844 262 H LEU 33 H LEU 33 -0.158 -2.983 4.631 263 HA LEU 33 HA LEU 33 0.018 -5.636 3.785 264 HG LEU 33 HG LEU 33 -1.707 -3.033 3.285 265 HB2 LEU 33 2HB LEU 33 0.484 -3.143 2.142 266 HB3 LEU 33 1HB LEU 33 0.064 -4.728 1.516 267 HD11 LEU 33 1HD1 LEU 33 -1.882 -3.610 0.330 268 HD12 LEU 33 2HD1 LEU 33 -1.447 -2.065 1.067 269 HD13 LEU 33 3HD1 LEU 33 -3.070 -2.722 1.285 270 HD21 LEU 33 3HD2 LEU 33 -3.441 -4.683 2.745 271 HD22 LEU 33 1HD2 LEU 33 -2.097 -5.413 3.619 272 HD23 LEU 33 2HD2 LEU 33 -2.246 -5.651 1.879 273 H ARG 34 H ARG 34 2.513 -3.118 3.863 274 HA ARG 34 HA ARG 34 4.501 -4.573 2.472 275 HE ARG 34 HE ARG 34 7.239 -1.428 2.131 276 HB2 ARG 34 2HB ARG 34 4.739 -2.331 4.488 277 HB3 ARG 34 1HB ARG 34 6.100 -2.972 3.574 278 HG2 ARG 34 2HG ARG 34 5.033 -2.318 1.482 279 HG3 ARG 34 1HG ARG 34 3.636 -1.710 2.374 280 HD2 ARG 34 2HD ARG 34 5.094 0.124 1.742 281 HD3 ARG 34 1HD ARG 34 5.083 -0.068 3.495 282 HH11 ARG 34 1HH1 ARG 34 6.222 1.478 3.683 283 HH12 ARG 34 2HH1 ARG 34 7.838 2.010 3.987 284 HH21 ARG 34 1HH2 ARG 34 9.309 -0.737 2.530 285 HH22 ARG 34 2HH2 ARG 34 9.566 0.764 3.347 286 H GLN 35 H GLN 35 3.635 -4.438 5.918 287 HA GLN 35 HA GLN 35 5.734 -6.094 6.857 288 HB2 GLN 35 2HB GLN 35 2.917 -5.841 7.952 289 HB3 GLN 35 1HB GLN 35 4.293 -6.527 8.807 290 HG2 GLN 35 2HG GLN 35 4.014 -3.671 7.895 291 HG3 GLN 35 1HG GLN 35 3.835 -4.257 9.547 292 HE21 GLN 35 1HE2 GLN 35 5.689 -2.305 8.395 293 HE22 GLN 35 2HE2 GLN 35 7.270 -2.866 8.789 294 H GLU 36 H GLU 36 2.416 -6.896 5.800 295 HA GLU 36 HA GLU 36 2.494 -9.668 5.876 296 HB2 GLU 36 2HB GLU 36 1.241 -7.824 3.825 297 HB3 GLU 36 1HB GLU 36 0.947 -9.556 3.866 298 HG2 GLU 36 2HG GLU 36 0.376 -7.752 6.206 299 HG3 GLU 36 1HG GLU 36 -0.802 -8.077 4.935 300 H TYR 37 H TYR 37 3.642 -7.506 3.335 301 HA TYR 37 HA TYR 37 4.566 -9.417 1.494 302 HD1 TYR 37 HD1 TYR 37 4.558 -8.112 -1.221 303 HD2 TYR 37 HD2 TYR 37 7.773 -6.732 1.217 304 HE1 TYR 37 HE1 TYR 37 6.062 -8.172 -3.167 305 HE2 TYR 37 HE2 TYR 37 9.278 -6.800 -0.721 306 HH TYR 37 HH TYR 37 8.231 -6.978 -3.854 307 HB2 TYR 37 2HB TYR 37 4.146 -7.052 0.966 308 HB3 TYR 37 1HB TYR 37 5.483 -6.570 1.996 309 H LEU 38 H LEU 38 6.100 -7.984 4.327 310 HA LEU 38 HA LEU 38 8.732 -8.976 3.654 311 HG LEU 38 HG LEU 38 7.884 -6.086 4.207 312 HB2 LEU 38 2HB LEU 38 7.665 -7.612 6.126 313 HB3 LEU 38 1HB LEU 38 9.338 -8.099 5.931 314 HD11 LEU 38 1HD1 LEU 38 9.370 -4.448 5.265 315 HD12 LEU 38 2HD1 LEU 38 10.010 -5.712 6.317 316 HD13 LEU 38 3HD1 LEU 38 8.316 -5.232 6.442 317 HD21 LEU 38 3HD2 LEU 38 9.574 -7.300 2.934 318 HD22 LEU 38 1HD2 LEU 38 10.777 -6.964 4.180 319 HD23 LEU 38 2HD2 LEU 38 10.092 -5.643 3.234 320 H LYS 39 H LYS 39 6.010 -10.300 5.338 321 HA LYS 39 HA LYS 39 7.348 -11.898 7.232 322 HB2 LYS 39 2HB LYS 39 4.771 -12.593 5.801 323 HB3 LYS 39 1HB LYS 39 5.347 -13.299 7.304 324 HG2 LYS 39 2HG LYS 39 5.318 -10.768 8.085 325 HG3 LYS 39 1HG LYS 39 4.130 -10.634 6.791 326 HD2 LYS 39 2HD LYS 39 4.010 -12.424 9.223 327 HD3 LYS 39 1HD LYS 39 2.961 -11.059 8.843 328 HE2 LYS 39 2HE LYS 39 3.122 -13.655 7.304 329 HE3 LYS 39 1HE LYS 39 1.843 -13.195 8.425 330 HZ1 LYS 39 3HZ LYS 39 1.366 -11.293 6.942 331 HZ2 LYS 39 1HZ LYS 39 1.103 -12.796 6.215 332 HZ3 LYS 39 2HZ LYS 39 2.486 -11.909 5.832 333 H GLY 40 H GLY 40 8.792 -13.454 6.947 334 HA2 GLY 40 2HA GLY 40 9.510 -15.554 6.004 335 HA3 GLY 40 1HA GLY 40 8.709 -15.120 4.504 336 H PHE 41 H PHE 41 9.800 -12.363 4.604 337 HA PHE 41 HA PHE 41 12.309 -12.854 3.289 338 HD1 PHE 41 HD2 PHE 41 13.108 -11.628 1.301 339 HD2 PHE 41 HD1 PHE 41 12.394 -8.451 4.052 340 HE1 PHE 41 HE2 PHE 41 15.015 -10.391 0.362 341 HE2 PHE 41 HE1 PHE 41 14.302 -7.212 3.114 342 HZ PHE 41 HZ PHE 41 15.615 -8.182 1.268 343 HB2 PHE 41 2HB PHE 41 10.765 -11.104 2.503 344 HB3 PHE 41 1HB PHE 41 10.948 -10.247 4.028 345 H ARG 42 H ARG 42 14.334 -12.691 4.105 346 HA ARG 42 HA ARG 42 16.046 -12.538 5.589 347 HE ARG 42 HE ARG 42 16.983 -7.950 4.135 348 HB2 ARG 42 2HB ARG 42 14.305 -10.356 6.750 349 HB3 ARG 42 1HB ARG 42 15.906 -10.735 7.375 350 HG2 ARG 42 2HG ARG 42 16.872 -10.231 5.166 351 HG3 ARG 42 1HG ARG 42 15.262 -9.806 4.577 352 HD2 ARG 42 2HD ARG 42 15.118 -7.992 6.186 353 HD3 ARG 42 1HD ARG 42 16.670 -8.457 6.885 354 HH11 ARG 42 1HH1 ARG 42 16.424 -6.252 7.094 355 HH12 ARG 42 2HH1 ARG 42 17.205 -4.815 6.527 356 HH21 ARG 42 1HH2 ARG 42 17.974 -6.108 3.443 357 HH22 ARG 42 2HH2 ARG 42 18.074 -4.732 4.496 358 H SER 43 H SER 43 13.808 -14.385 6.033 359 HA SER 43 HA SER 43 14.122 -14.820 8.943 360 HG SER 43 HG SER 43 12.002 -15.870 9.982 361 HB2 SER 43 2HB SER 43 11.774 -14.424 8.310 362 HB3 SER 43 1HB SER 43 11.856 -15.753 7.153 363 H SER 44 H SER 44 13.966 -17.182 9.578 364 HA SER 44 HA SER 44 15.937 -18.652 8.072 365 HG SER 44 HG SER 44 17.100 -18.974 10.680 366 HB2 SER 44 2HB SER 44 14.385 -19.446 10.553 367 HB3 SER 44 1HB SER 44 15.727 -20.357 9.864 368 H MET 45 H MET 45 15.080 -19.257 6.121 369 HA MET 45 HA MET 45 12.596 -20.670 5.878 370 HB2 MET 45 2HB MET 45 13.578 -19.332 4.036 371 HB3 MET 45 1HB MET 45 14.905 -20.479 3.924 372 HG2 MET 45 2HG MET 45 13.361 -22.236 3.267 373 HG3 MET 45 1HG MET 45 11.998 -21.134 3.448 374 HE1 MET 45 3HE MET 45 13.260 -18.424 2.236 375 HE2 MET 45 1HE MET 45 11.624 -18.993 1.896 376 HE3 MET 45 2HE MET 45 12.698 -18.547 0.569 377 H LYS 46 H LYS 46 12.221 -22.791 6.200 378 HA LYS 46 HA LYS 46 14.504 -24.461 6.983 379 HB2 LYS 46 2HB LYS 46 12.845 -25.867 8.109 380 HB3 LYS 46 1HB LYS 46 12.735 -24.188 8.621 381 HG2 LYS 46 2HG LYS 46 10.808 -23.858 7.143 382 HG3 LYS 46 1HG LYS 46 10.913 -25.544 6.632 383 HD2 LYS 46 2HD LYS 46 10.438 -24.595 9.458 384 HD3 LYS 46 1HD LYS 46 9.192 -25.200 8.362 385 HE2 LYS 46 2HE LYS 46 10.295 -27.374 8.279 386 HE3 LYS 46 1HE LYS 46 11.595 -26.773 9.310 387 HZ1 LYS 46 3HZ LYS 46 8.741 -26.971 10.101 388 HZ2 LYS 46 1HZ LYS 46 10.014 -26.455 11.086 389 HZ3 LYS 46 2HZ LYS 46 9.959 -28.058 10.555 390 H LEU 47 H LEU 47 13.065 -23.992 4.151 391 HA LEU 47 HA LEU 47 13.493 -26.761 3.306 392 HG LEU 47 HG LEU 47 11.144 -24.442 1.526 393 HB2 LEU 47 2HB LEU 47 11.455 -26.912 2.047 394 HB3 LEU 47 1HB LEU 47 11.058 -26.534 3.711 395 HD11 LEU 47 1HD1 LEU 47 9.465 -26.143 0.975 396 HD12 LEU 47 2HD1 LEU 47 8.717 -24.611 1.420 397 HD13 LEU 47 3HD1 LEU 47 8.742 -25.946 2.573 398 HD21 LEU 47 3HD2 LEU 47 11.356 -23.575 3.802 399 HD22 LEU 47 1HD2 LEU 47 9.894 -24.442 4.279 400 HD23 LEU 47 2HD2 LEU 47 9.800 -23.133 3.100 401 H GLU 48 H GLU 48 13.529 -26.956 0.884 402 HA GLU 48 HA GLU 48 14.763 -24.548 -0.307 403 HB2 GLU 48 2HB GLU 48 16.242 -26.515 -0.139 404 HB3 GLU 48 1HB GLU 48 15.096 -27.460 -1.082 405 HG2 GLU 48 2HG GLU 48 15.433 -25.843 -2.962 406 HG3 GLU 48 1HG GLU 48 16.713 -25.093 -2.014 Start of MODEL 7 1 HA MET 1 HA MET 1 1.297 -14.605 4.057 2 H1 MET 1 1H MET 1 2.350 -12.848 5.224 3 H2 MET 1 2H MET 1 1.820 -13.985 6.358 4 H3 MET 1 3H MET 1 0.970 -12.537 6.154 5 HB2 MET 1 2HB MET 1 -1.023 -14.065 5.928 6 HB3 MET 1 1HB MET 1 -1.149 -15.064 4.486 7 HG2 MET 1 2HG MET 1 0.524 -16.594 5.397 8 HG3 MET 1 1HG MET 1 0.664 -15.585 6.834 9 HE1 MET 1 3HE MET 1 0.242 -17.815 8.288 10 HE2 MET 1 1HE MET 1 0.052 -18.750 6.803 11 HE3 MET 1 2HE MET 1 -1.165 -18.854 8.074 12 H ILE 2 H ILE 2 1.553 -13.263 2.302 13 HA ILE 2 HA ILE 2 -0.390 -11.075 1.978 14 HB ILE 2 HB ILE 2 1.968 -10.396 1.904 15 HG12 ILE 2 2HG1 ILE 2 0.645 -10.160 -0.812 16 HG13 ILE 2 1HG1 ILE 2 0.204 -9.201 0.596 17 HG21 ILE 2 1HG2 ILE 2 3.429 -11.053 0.070 18 HG22 ILE 2 2HG2 ILE 2 2.179 -12.116 -0.575 19 HG23 ILE 2 3HG2 ILE 2 2.917 -12.471 0.986 20 HD11 ILE 2 3HD1 ILE 2 2.841 -9.175 -0.841 21 HD12 ILE 2 1HD1 ILE 2 2.488 -8.280 0.638 22 HD13 ILE 2 2HD1 ILE 2 1.606 -7.916 -0.846 23 H SER 3 H SER 3 -1.733 -10.945 0.245 24 HA SER 3 HA SER 3 -1.881 -13.300 -1.529 25 HG SER 3 HG SER 3 -5.160 -11.186 -0.311 26 HB2 SER 3 2HB SER 3 -4.283 -12.838 -1.707 27 HB3 SER 3 1HB SER 3 -3.824 -12.994 -0.012 28 H ASN 4 H ASN 4 -2.960 -12.814 -3.693 29 HA ASN 4 HA ASN 4 -1.531 -10.949 -5.188 30 HB2 ASN 4 2HB ASN 4 -4.272 -12.089 -5.801 31 HB3 ASN 4 1HB ASN 4 -3.203 -11.316 -6.969 32 HD21 ASN 4 1HD2 ASN 4 -3.106 -13.161 -8.235 33 HD22 ASN 4 2HD2 ASN 4 -2.208 -14.556 -7.761 34 H ALA 5 H ALA 5 -4.710 -10.618 -3.646 35 HA ALA 5 HA ALA 5 -5.369 -8.061 -4.633 36 HB1 ALA 5 3HB ALA 5 -6.944 -7.926 -2.776 37 HB2 ALA 5 1HB ALA 5 -6.141 -9.277 -1.972 38 HB3 ALA 5 2HB ALA 5 -6.983 -9.533 -3.500 39 H LYS 6 H LYS 6 -3.624 -9.021 -1.675 40 HA LYS 6 HA LYS 6 -3.173 -6.418 -0.676 41 HB2 LYS 6 2HB LYS 6 -1.494 -8.914 -0.285 42 HB3 LYS 6 1HB LYS 6 -1.363 -7.443 0.671 43 HG2 LYS 6 2HG LYS 6 -3.657 -7.750 1.459 44 HG3 LYS 6 1HG LYS 6 -3.789 -9.225 0.502 45 HD2 LYS 6 2HD LYS 6 -1.925 -10.199 1.827 46 HD3 LYS 6 1HD LYS 6 -1.896 -8.736 2.811 47 HE2 LYS 6 2HE LYS 6 -4.195 -9.146 3.514 48 HE3 LYS 6 1HE LYS 6 -4.266 -10.586 2.501 49 HZ1 LYS 6 3HZ LYS 6 -2.587 -11.615 3.874 50 HZ2 LYS 6 1HZ LYS 6 -3.865 -11.088 4.847 51 HZ3 LYS 6 2HZ LYS 6 -2.420 -10.215 4.802 52 H ILE 7 H ILE 7 -1.147 -8.494 -2.757 53 HA ILE 7 HA ILE 7 1.021 -6.769 -3.128 54 HB ILE 7 HB ILE 7 -0.181 -8.716 -5.117 55 HG12 ILE 7 2HG1 ILE 7 2.086 -9.070 -3.132 56 HG13 ILE 7 1HG1 ILE 7 0.473 -9.752 -2.970 57 HG21 ILE 7 1HG2 ILE 7 2.017 -8.715 -6.196 58 HG22 ILE 7 2HG2 ILE 7 2.579 -7.483 -5.071 59 HG23 ILE 7 3HG2 ILE 7 1.298 -7.107 -6.222 60 HD11 ILE 7 3HD1 ILE 7 2.456 -10.410 -5.137 61 HD12 ILE 7 1HD1 ILE 7 0.841 -11.101 -4.970 62 HD13 ILE 7 2HD1 ILE 7 2.066 -11.410 -3.738 63 H ALA 8 H ALA 8 -1.921 -7.092 -5.130 64 HA ALA 8 HA ALA 8 -1.341 -5.052 -6.963 65 HB1 ALA 8 3HB ALA 8 -4.044 -6.033 -6.046 66 HB2 ALA 8 1HB ALA 8 -3.074 -6.730 -7.344 67 HB3 ALA 8 2HB ALA 8 -3.726 -5.099 -7.509 68 H ARG 9 H ARG 9 -2.902 -4.932 -3.788 69 HA ARG 9 HA ARG 9 -3.718 -2.208 -3.960 70 HE ARG 9 HE ARG 9 -5.435 0.195 -0.599 71 HB2 ARG 9 2HB ARG 9 -4.668 -3.885 -2.352 72 HB3 ARG 9 1HB ARG 9 -3.164 -3.799 -1.444 73 HG2 ARG 9 2HG ARG 9 -4.879 -2.409 -0.419 74 HG3 ARG 9 1HG ARG 9 -3.547 -1.416 -1.016 75 HD2 ARG 9 2HD ARG 9 -4.855 -0.893 -3.031 76 HD3 ARG 9 1HD ARG 9 -6.183 -1.880 -2.423 77 HH11 ARG 9 1HH1 ARG 9 -7.232 -0.472 -3.465 78 HH12 ARG 9 2HH1 ARG 9 -8.356 0.814 -3.186 79 HH21 ARG 9 1HH2 ARG 9 -6.868 1.864 -0.276 80 HH22 ARG 9 2HH2 ARG 9 -8.134 2.136 -1.425 81 H ILE 10 H ILE 10 -0.802 -3.792 -2.666 82 HA ILE 10 HA ILE 10 0.429 -1.491 -1.589 83 HB ILE 10 HB ILE 10 1.721 -3.981 -2.738 84 HG12 ILE 10 2HG1 ILE 10 1.117 -3.194 0.131 85 HG13 ILE 10 1HG1 ILE 10 0.216 -4.377 -0.808 86 HG21 ILE 10 1HG2 ILE 10 3.318 -2.127 -2.697 87 HG22 ILE 10 2HG2 ILE 10 3.728 -3.334 -1.479 88 HG23 ILE 10 3HG2 ILE 10 2.945 -1.829 -0.999 89 HD11 ILE 10 3HD1 ILE 10 2.216 -5.778 -0.944 90 HD12 ILE 10 1HD1 ILE 10 1.746 -5.457 0.724 91 HD13 ILE 10 2HD1 ILE 10 3.104 -4.591 0.008 92 H ASN 11 H ASN 11 0.627 -2.910 -4.865 93 HA ASN 11 HA ASN 11 2.404 -1.010 -5.955 94 HB2 ASN 11 2HB ASN 11 0.193 -2.558 -7.335 95 HB3 ASN 11 1HB ASN 11 1.490 -1.693 -8.156 96 HD21 ASN 11 1HD2 ASN 11 0.854 -4.509 -8.279 97 HD22 ASN 11 2HD2 ASN 11 2.253 -5.353 -7.720 98 H GLU 12 H GLU 12 -1.142 -1.047 -5.803 99 HA GLU 12 HA GLU 12 -1.691 1.349 -7.129 100 HB2 GLU 12 2HB GLU 12 -3.457 -0.191 -6.603 101 HB3 GLU 12 1HB GLU 12 -3.124 -0.079 -4.882 102 HG2 GLU 12 2HG GLU 12 -5.132 1.126 -5.373 103 HG3 GLU 12 1HG GLU 12 -3.879 2.275 -4.923 104 H LEU 13 H LEU 13 -1.266 0.812 -3.620 105 HA LEU 13 HA LEU 13 -1.547 3.542 -2.922 106 HG LEU 13 HG LEU 13 -2.634 0.805 -1.804 107 HB2 LEU 13 2HB LEU 13 -0.267 1.278 -1.385 108 HB3 LEU 13 1HB LEU 13 -0.683 2.845 -0.713 109 HD11 LEU 13 1HD1 LEU 13 -2.098 1.721 1.022 110 HD12 LEU 13 2HD1 LEU 13 -1.738 0.132 0.340 111 HD13 LEU 13 3HD1 LEU 13 -3.414 0.654 0.523 112 HD21 LEU 13 3HD2 LEU 13 -3.410 3.075 -2.255 113 HD22 LEU 13 1HD2 LEU 13 -3.168 3.506 -0.560 114 HD23 LEU 13 2HD2 LEU 13 -4.390 2.313 -1.002 115 H ALA 14 H ALA 14 1.298 1.538 -3.588 116 HA ALA 14 HA ALA 14 3.270 3.465 -2.965 117 HB1 ALA 14 3HB ALA 14 4.770 2.129 -4.377 118 HB2 ALA 14 1HB ALA 14 3.384 1.235 -5.003 119 HB3 ALA 14 2HB ALA 14 3.818 1.107 -3.299 120 H ALA 15 H ALA 15 1.331 2.910 -5.863 121 HA ALA 15 HA ALA 15 2.579 4.876 -7.497 122 HB1 ALA 15 3HB ALA 15 -0.262 3.843 -7.593 123 HB2 ALA 15 1HB ALA 15 1.121 3.143 -8.437 124 HB3 ALA 15 2HB ALA 15 0.549 4.758 -8.865 125 H LYS 16 H LYS 16 -0.282 4.965 -5.363 126 HA LYS 16 HA LYS 16 -0.899 7.685 -5.609 127 HB2 LYS 16 2HB LYS 16 -1.153 5.958 -3.132 128 HB3 LYS 16 1HB LYS 16 -1.966 7.495 -3.398 129 HG2 LYS 16 2HG LYS 16 -3.118 6.440 -5.366 130 HG3 LYS 16 1HG LYS 16 -2.425 4.897 -4.853 131 HD2 LYS 16 2HD LYS 16 -3.511 5.250 -2.615 132 HD3 LYS 16 1HD LYS 16 -4.327 6.658 -3.298 133 HE2 LYS 16 2HE LYS 16 -4.611 3.781 -4.154 134 HE3 LYS 16 1HE LYS 16 -5.828 4.787 -3.371 135 HZ1 LYS 16 3HZ LYS 16 -4.764 5.049 -6.122 136 HZ2 LYS 16 1HZ LYS 16 -5.717 6.239 -5.383 137 HZ3 LYS 16 2HZ LYS 16 -6.353 4.701 -5.652 138 H ALA 17 H ALA 17 1.518 6.060 -3.612 139 HA ALA 17 HA ALA 17 2.336 8.293 -2.076 140 HB1 ALA 17 3HB ALA 17 3.958 5.877 -2.885 141 HB2 ALA 17 1HB ALA 17 2.897 5.980 -1.480 142 HB3 ALA 17 2HB ALA 17 4.335 6.993 -1.573 143 H LYS 18 H LYS 18 3.661 6.914 -5.099 144 HA LYS 18 HA LYS 18 5.604 8.948 -5.495 145 HB2 LYS 18 2HB LYS 18 4.320 6.967 -7.381 146 HB3 LYS 18 1HB LYS 18 5.558 8.103 -7.905 147 HG2 LYS 18 2HG LYS 18 7.130 7.156 -6.289 148 HG3 LYS 18 1HG LYS 18 5.890 6.026 -5.739 149 HD2 LYS 18 2HD LYS 18 6.845 6.151 -8.600 150 HD3 LYS 18 1HD LYS 18 7.596 5.119 -7.383 151 HE2 LYS 18 2HE LYS 18 4.666 5.020 -8.110 152 HE3 LYS 18 1HE LYS 18 5.894 3.961 -8.803 153 HZ1 LYS 18 3HZ LYS 18 4.725 2.924 -6.949 154 HZ2 LYS 18 1HZ LYS 18 5.243 4.154 -5.910 155 HZ3 LYS 18 2HZ LYS 18 6.370 3.106 -6.608 156 H ALA 19 H ALA 19 2.196 8.812 -6.153 157 HA ALA 19 HA ALA 19 2.246 11.274 -7.728 158 HB1 ALA 19 3HB ALA 19 -0.096 9.596 -6.816 159 HB2 ALA 19 1HB ALA 19 0.700 9.499 -8.387 160 HB3 ALA 19 2HB ALA 19 -0.171 10.962 -7.930 161 H GLY 20 H GLY 20 2.168 10.430 -4.469 162 HA2 GLY 20 2HA GLY 20 2.077 11.777 -2.596 163 HA3 GLY 20 1HA GLY 20 1.710 13.141 -3.636 164 H VAL 21 H VAL 21 -0.508 10.858 -4.457 165 HA VAL 21 HA VAL 21 -2.578 12.342 -3.066 166 HB VAL 21 HB VAL 21 -4.165 11.185 -4.510 167 HG11 VAL 21 1HG1 VAL 21 -3.062 13.178 -5.375 168 HG12 VAL 21 2HG1 VAL 21 -3.375 12.032 -6.677 169 HG13 VAL 21 3HG1 VAL 21 -1.747 12.194 -6.018 170 HG21 VAL 21 3HG2 VAL 21 -3.374 9.605 -6.243 171 HG22 VAL 21 1HG2 VAL 21 -3.142 8.983 -4.609 172 HG23 VAL 21 2HG2 VAL 21 -1.771 9.629 -5.508 173 H ILE 22 H ILE 22 -0.808 9.812 -2.058 174 HA ILE 22 HA ILE 22 -2.875 8.064 -1.069 175 HB ILE 22 HB ILE 22 -0.617 7.211 -1.559 176 HG12 ILE 22 2HG1 ILE 22 -1.317 6.954 1.378 177 HG13 ILE 22 1HG1 ILE 22 -2.091 6.054 0.077 178 HG21 ILE 22 1HG2 ILE 22 0.687 9.153 -0.867 179 HG22 ILE 22 2HG2 ILE 22 1.269 7.684 -0.087 180 HG23 ILE 22 3HG2 ILE 22 0.288 8.832 0.822 181 HD11 ILE 22 3HD1 ILE 22 -0.430 4.711 1.231 182 HD12 ILE 22 1HD1 ILE 22 0.819 5.892 0.840 183 HD13 ILE 22 2HD1 ILE 22 0.029 4.980 -0.450 184 H THR 23 H THR 23 -4.101 8.370 0.701 185 HA THR 23 HA THR 23 -3.626 10.645 2.423 186 HB THR 23 HB THR 23 -5.732 10.026 3.535 187 HG1 THR 23 HG1 THR 23 -6.892 8.207 2.785 188 HG21 THR 23 3HG2 THR 23 -5.808 11.387 1.495 189 HG22 THR 23 1HG2 THR 23 -7.233 10.354 1.635 190 HG23 THR 23 2HG2 THR 23 -5.935 9.920 0.520 191 H GLU 24 H GLU 24 -3.864 10.409 4.818 192 HA GLU 24 HA GLU 24 -1.765 8.966 5.923 193 HB2 GLU 24 2HB GLU 24 -4.266 9.970 7.309 194 HB3 GLU 24 1HB GLU 24 -2.771 9.514 8.116 195 HG2 GLU 24 2HG GLU 24 -2.933 11.704 6.059 196 HG3 GLU 24 1HG GLU 24 -3.134 11.980 7.784 197 H GLU 25 H GLU 25 -5.221 8.114 5.899 198 HA GLU 25 HA GLU 25 -5.038 5.729 7.354 199 HB2 GLU 25 2HB GLU 25 -7.189 6.700 6.968 200 HB3 GLU 25 1HB GLU 25 -6.987 6.612 5.222 201 HG2 GLU 25 2HG GLU 25 -7.164 4.221 5.255 202 HG3 GLU 25 1HG GLU 25 -7.130 4.194 7.015 203 H GLU 26 H GLU 26 -4.847 6.249 3.826 204 HA GLU 26 HA GLU 26 -4.483 3.514 3.169 205 HB2 GLU 26 2HB GLU 26 -3.714 5.994 1.613 206 HB3 GLU 26 1HB GLU 26 -3.711 4.359 0.963 207 HG2 GLU 26 2HG GLU 26 -6.091 5.944 1.906 208 HG3 GLU 26 1HG GLU 26 -5.702 5.474 0.252 209 H LYS 27 H LYS 27 -2.226 6.067 4.035 210 HA LYS 27 HA LYS 27 0.188 4.736 3.423 211 HB2 LYS 27 2HB LYS 27 -0.461 6.767 5.575 212 HB3 LYS 27 1HB LYS 27 1.172 6.241 5.184 213 HG2 LYS 27 2HG LYS 27 1.054 7.210 3.011 214 HG3 LYS 27 1HG LYS 27 -0.680 7.491 3.165 215 HD2 LYS 27 2HD LYS 27 0.554 9.569 3.470 216 HD3 LYS 27 1HD LYS 27 -0.258 9.105 4.964 217 HE2 LYS 27 2HE LYS 27 1.880 8.150 5.779 218 HE3 LYS 27 1HE LYS 27 2.668 8.738 4.315 219 HZ1 LYS 27 3HZ LYS 27 2.115 10.988 4.942 220 HZ2 LYS 27 1HZ LYS 27 2.959 10.240 6.201 221 HZ3 LYS 27 2HZ LYS 27 1.285 10.445 6.308 222 H ALA 28 H ALA 28 -1.755 4.814 6.405 223 HA ALA 28 HA ALA 28 -0.174 3.033 7.919 224 HB1 ALA 28 3HB ALA 28 -2.129 2.787 9.357 225 HB2 ALA 28 1HB ALA 28 -3.156 3.503 8.114 226 HB3 ALA 28 2HB ALA 28 -1.914 4.478 8.899 227 H GLU 29 H GLU 29 -2.882 2.474 5.704 228 HA GLU 29 HA GLU 29 -3.127 -0.311 6.040 229 HB2 GLU 29 2HB GLU 29 -4.811 1.037 4.876 230 HB3 GLU 29 1HB GLU 29 -3.669 1.398 3.591 231 HG2 GLU 29 2HG GLU 29 -5.224 -0.295 2.858 232 HG3 GLU 29 1HG GLU 29 -3.607 -0.986 2.990 233 H GLN 30 H GLN 30 -1.312 1.520 3.559 234 HA GLN 30 HA GLN 30 -0.118 -0.588 2.221 235 HB2 GLN 30 2HB GLN 30 0.083 1.581 1.285 236 HB3 GLN 30 1HB GLN 30 0.820 2.230 2.745 237 HG2 GLN 30 2HG GLN 30 2.881 1.205 2.302 238 HG3 GLN 30 1HG GLN 30 2.180 0.102 1.122 239 HE21 GLN 30 1HE2 GLN 30 3.199 3.404 1.697 240 HE22 GLN 30 2HE2 GLN 30 3.285 3.852 0.034 241 H GLN 31 H GLN 31 1.187 1.189 5.032 242 HA GLN 31 HA GLN 31 3.559 -0.249 5.369 243 HB2 GLN 31 2HB GLN 31 2.955 1.841 6.566 244 HB3 GLN 31 1HB GLN 31 1.792 0.936 7.525 245 HG2 GLN 31 2HG GLN 31 3.605 -0.393 8.482 246 HG3 GLN 31 1HG GLN 31 4.776 0.499 7.508 247 HE21 GLN 31 1HE2 GLN 31 4.592 0.261 10.391 248 HE22 GLN 31 2HE2 GLN 31 4.434 1.868 11.003 249 H LYS 32 H LYS 32 0.304 -0.916 6.559 250 HA LYS 32 HA LYS 32 0.918 -3.183 8.130 251 HB2 LYS 32 2HB LYS 32 -1.126 -1.965 8.462 252 HB3 LYS 32 1HB LYS 32 -1.642 -2.265 6.811 253 HG2 LYS 32 2HG LYS 32 -2.209 -4.477 7.252 254 HG3 LYS 32 1HG LYS 32 -1.192 -4.555 8.692 255 HD2 LYS 32 2HD LYS 32 -3.600 -4.475 9.238 256 HD3 LYS 32 1HD LYS 32 -2.706 -3.109 9.897 257 HE2 LYS 32 2HE LYS 32 -4.746 -2.256 9.037 258 HE3 LYS 32 1HE LYS 32 -3.474 -1.768 7.919 259 HZ1 LYS 32 3HZ LYS 32 -5.534 -2.595 6.854 260 HZ2 LYS 32 1HZ LYS 32 -5.221 -4.128 7.492 261 HZ3 LYS 32 2HZ LYS 32 -4.146 -3.431 6.381 262 H LEU 33 H LEU 33 -0.324 -2.944 4.786 263 HA LEU 33 HA LEU 33 -0.316 -5.701 4.211 264 HG LEU 33 HG LEU 33 -2.088 -3.234 3.472 265 HB2 LEU 33 2HB LEU 33 0.100 -3.365 2.335 266 HB3 LEU 33 1HB LEU 33 -0.265 -5.007 1.835 267 HD11 LEU 33 1HD1 LEU 33 -3.461 -3.127 1.463 268 HD12 LEU 33 2HD1 LEU 33 -2.265 -4.076 0.578 269 HD13 LEU 33 3HD1 LEU 33 -1.856 -2.462 1.166 270 HD21 LEU 33 3HD2 LEU 33 -3.767 -4.975 3.104 271 HD22 LEU 33 1HD2 LEU 33 -2.385 -5.602 4.003 272 HD23 LEU 33 2HD2 LEU 33 -2.565 -5.976 2.288 273 H ARG 34 H ARG 34 2.238 -3.270 4.025 274 HA ARG 34 HA ARG 34 4.137 -4.936 2.704 275 HE ARG 34 HE ARG 34 4.165 -0.514 0.345 276 HB2 ARG 34 2HB ARG 34 4.461 -2.416 4.335 277 HB3 ARG 34 1HB ARG 34 5.810 -3.232 3.552 278 HG2 ARG 34 2HG ARG 34 4.693 -2.947 1.370 279 HG3 ARG 34 1HG ARG 34 3.385 -2.079 2.171 280 HD2 ARG 34 2HD ARG 34 4.934 -0.348 2.886 281 HD3 ARG 34 1HD ARG 34 6.286 -1.235 2.183 282 HH11 ARG 34 1HH1 ARG 34 7.202 0.351 1.719 283 HH12 ARG 34 2HH1 ARG 34 7.633 1.381 0.399 284 HH21 ARG 34 1HH2 ARG 34 4.703 0.830 -1.329 285 HH22 ARG 34 2HH2 ARG 34 6.232 1.636 -1.331 286 H GLN 35 H GLN 35 3.293 -4.480 6.108 287 HA GLN 35 HA GLN 35 5.395 -5.992 7.229 288 HB2 GLN 35 2HB GLN 35 2.521 -5.617 8.098 289 HB3 GLN 35 1HB GLN 35 3.680 -6.542 9.042 290 HG2 GLN 35 2HG GLN 35 4.021 -3.647 8.274 291 HG3 GLN 35 1HG GLN 35 3.395 -4.211 9.824 292 HE21 GLN 35 1HE2 GLN 35 5.808 -2.651 9.191 293 HE22 GLN 35 2HE2 GLN 35 7.118 -3.533 9.883 294 H GLU 36 H GLU 36 2.235 -6.989 5.931 295 HA GLU 36 HA GLU 36 2.559 -9.770 6.145 296 HB2 GLU 36 2HB GLU 36 1.075 -8.097 4.109 297 HB3 GLU 36 1HB GLU 36 0.987 -9.852 4.149 298 HG2 GLU 36 2HG GLU 36 0.318 -8.223 6.577 299 HG3 GLU 36 1HG GLU 36 -0.863 -8.474 5.293 300 H TYR 37 H TYR 37 3.732 -7.494 3.724 301 HA TYR 37 HA TYR 37 4.843 -9.427 1.956 302 HD1 TYR 37 HD2 TYR 37 4.777 -8.565 -0.648 303 HD2 TYR 37 HD1 TYR 37 7.836 -6.437 1.413 304 HE1 TYR 37 HE2 TYR 37 6.248 -8.790 -2.603 305 HE2 TYR 37 HE1 TYR 37 9.312 -6.661 -0.539 306 HH TYR 37 HH TYR 37 9.574 -8.111 -2.501 307 HB2 TYR 37 2HB TYR 37 4.302 -7.057 1.362 308 HB3 TYR 37 1HB TYR 37 5.663 -6.535 2.344 309 H LEU 38 H LEU 38 6.028 -7.781 4.829 310 HA LEU 38 HA LEU 38 8.753 -8.645 4.562 311 HG LEU 38 HG LEU 38 7.628 -5.836 5.126 312 HB2 LEU 38 2HB LEU 38 7.237 -7.494 6.909 313 HB3 LEU 38 1HB LEU 38 8.951 -7.862 6.945 314 HD11 LEU 38 1HD1 LEU 38 8.765 -4.163 6.485 315 HD12 LEU 38 2HD1 LEU 38 9.405 -5.430 7.535 316 HD13 LEU 38 3HD1 LEU 38 7.667 -5.132 7.471 317 HD21 LEU 38 3HD2 LEU 38 9.559 -6.843 4.048 318 HD22 LEU 38 1HD2 LEU 38 10.545 -6.552 5.483 319 HD23 LEU 38 2HD2 LEU 38 9.933 -5.192 4.539 320 H LYS 39 H LYS 39 5.887 -10.144 5.724 321 HA LYS 39 HA LYS 39 6.868 -11.955 7.613 322 HB2 LYS 39 2HB LYS 39 4.687 -12.358 5.545 323 HB3 LYS 39 1HB LYS 39 4.959 -13.412 6.926 324 HG2 LYS 39 2HG LYS 39 4.297 -10.477 7.145 325 HG3 LYS 39 1HG LYS 39 3.101 -11.769 7.209 326 HD2 LYS 39 2HD LYS 39 5.439 -11.495 9.105 327 HD3 LYS 39 1HD LYS 39 3.796 -10.954 9.454 328 HE2 LYS 39 2HE LYS 39 2.985 -13.251 9.217 329 HE3 LYS 39 1HE LYS 39 4.619 -13.796 8.835 330 HZ1 LYS 39 3HZ LYS 39 3.720 -12.607 11.399 331 HZ2 LYS 39 1HZ LYS 39 5.316 -13.037 11.041 332 HZ3 LYS 39 2HZ LYS 39 4.118 -14.224 11.129 333 H GLY 40 H GLY 40 8.785 -12.991 7.221 334 HA2 GLY 40 2HA GLY 40 10.102 -14.722 6.412 335 HA3 GLY 40 1HA GLY 40 8.822 -15.129 5.280 336 H PHE 41 H PHE 41 9.930 -11.858 5.316 337 HA PHE 41 HA PHE 41 11.012 -12.172 2.621 338 HD1 PHE 41 HD1 PHE 41 10.074 -10.538 0.681 339 HD2 PHE 41 HD2 PHE 41 12.162 -8.140 3.517 340 HE1 PHE 41 HE1 PHE 41 11.044 -9.222 -1.152 341 HE2 PHE 41 HE2 PHE 41 13.133 -6.818 1.681 342 HZ PHE 41 HZ PHE 41 12.574 -7.359 -0.654 343 HB2 PHE 41 2HB PHE 41 9.394 -10.365 3.123 344 HB3 PHE 41 1HB PHE 41 10.541 -9.665 4.259 345 H ARG 42 H ARG 42 13.109 -11.502 1.994 346 HA ARG 42 HA ARG 42 15.073 -11.609 4.181 347 HE ARG 42 HE ARG 42 13.847 -15.835 3.139 348 HB2 ARG 42 2HB ARG 42 15.558 -11.947 1.214 349 HB3 ARG 42 1HB ARG 42 16.684 -12.305 2.519 350 HG2 ARG 42 2HG ARG 42 14.091 -13.737 1.949 351 HG3 ARG 42 1HG ARG 42 15.717 -14.347 1.641 352 HD2 ARG 42 2HD ARG 42 16.200 -14.368 4.018 353 HD3 ARG 42 1HD ARG 42 14.633 -13.639 4.374 354 HH11 ARG 42 1HH1 ARG 42 16.265 -15.443 5.562 355 HH12 ARG 42 2HH1 ARG 42 16.089 -17.068 6.131 356 HH21 ARG 42 1HH2 ARG 42 13.623 -17.903 3.909 357 HH22 ARG 42 2HH2 ARG 42 14.626 -18.430 5.219 358 H SER 43 H SER 43 15.896 -9.734 4.868 359 HA SER 43 HA SER 43 17.018 -7.812 3.053 360 HG SER 43 HG SER 43 15.190 -4.985 4.349 361 HB2 SER 43 2HB SER 43 14.689 -7.075 2.902 362 HB3 SER 43 1HB SER 43 14.582 -6.972 4.658 363 H SER 44 H SER 44 18.418 -6.341 4.069 364 HA SER 44 HA SER 44 18.561 -6.287 6.982 365 HG SER 44 HG SER 44 21.051 -8.147 4.617 366 HB2 SER 44 2HB SER 44 20.956 -6.918 7.019 367 HB3 SER 44 1HB SER 44 19.953 -8.229 6.398 368 H MET 45 H MET 45 20.260 -4.712 7.747 369 HA MET 45 HA MET 45 20.637 -2.528 5.793 370 HB2 MET 45 2HB MET 45 20.364 -2.422 8.806 371 HB3 MET 45 1HB MET 45 20.792 -1.038 7.810 372 HG2 MET 45 2HG MET 45 18.651 -1.206 6.649 373 HG3 MET 45 1HG MET 45 18.227 -2.607 7.628 374 HE1 MET 45 3HE MET 45 16.468 0.142 7.299 375 HE2 MET 45 1HE MET 45 15.890 0.300 8.956 376 HE3 MET 45 2HE MET 45 15.929 -1.286 8.186 377 H LYS 46 H LYS 46 22.645 -1.919 5.283 378 HA LYS 46 HA LYS 46 24.878 -2.506 7.103 379 HB2 LYS 46 2HB LYS 46 24.857 -4.319 5.458 380 HB3 LYS 46 1HB LYS 46 24.844 -3.154 4.140 381 HG2 LYS 46 2HG LYS 46 27.071 -2.382 4.785 382 HG3 LYS 46 1HG LYS 46 27.081 -3.512 6.141 383 HD2 LYS 46 2HD LYS 46 26.969 -5.397 4.594 384 HD3 LYS 46 1HD LYS 46 26.890 -4.286 3.225 385 HE2 LYS 46 2HE LYS 46 29.119 -3.445 3.754 386 HE3 LYS 46 1HE LYS 46 29.200 -4.504 5.163 387 HZ1 LYS 46 3HZ LYS 46 30.389 -5.395 3.230 388 HZ2 LYS 46 1HZ LYS 46 28.944 -5.436 2.356 389 HZ3 LYS 46 2HZ LYS 46 29.132 -6.413 3.723 390 H LEU 47 H LEU 47 26.562 -1.003 7.053 391 HA LEU 47 HA LEU 47 26.234 1.279 5.225 392 HG LEU 47 HG LEU 47 27.829 1.243 8.637 393 HB2 LEU 47 2HB LEU 47 26.663 2.870 7.023 394 HB3 LEU 47 1HB LEU 47 25.201 1.952 7.317 395 HD11 LEU 47 1HD1 LEU 47 27.088 2.489 10.596 396 HD12 LEU 47 2HD1 LEU 47 25.669 3.059 9.717 397 HD13 LEU 47 3HD1 LEU 47 27.281 3.563 9.208 398 HD21 LEU 47 3HD2 LEU 47 26.356 0.166 10.295 399 HD22 LEU 47 1HD2 LEU 47 26.136 -0.510 8.684 400 HD23 LEU 47 2HD2 LEU 47 24.950 0.621 9.330 401 H GLU 48 H GLU 48 28.060 2.129 4.414 402 HA GLU 48 HA GLU 48 30.618 0.889 5.199 403 HB2 GLU 48 2HB GLU 48 29.981 0.597 2.860 404 HB3 GLU 48 1HB GLU 48 29.824 2.336 2.662 405 HG2 GLU 48 2HG GLU 48 32.236 2.585 3.124 406 HG3 GLU 48 1HG GLU 48 32.371 0.829 3.231 Start of MODEL 8 1 HA MET 1 HA MET 1 1.414 -12.788 5.350 2 H1 MET 1 1H MET 1 0.094 -13.663 7.158 3 H2 MET 1 2H MET 1 -1.313 -13.531 6.236 4 H3 MET 1 3H MET 1 -0.470 -12.137 6.688 5 HB2 MET 1 2HB MET 1 -0.301 -15.211 4.871 6 HB3 MET 1 1HB MET 1 0.878 -14.716 3.663 7 HG2 MET 1 2HG MET 1 1.679 -16.453 5.258 8 HG3 MET 1 1HG MET 1 2.682 -15.006 5.172 9 HE1 MET 1 3HE MET 1 2.926 -17.130 7.548 10 HE2 MET 1 1HE MET 1 3.083 -16.024 8.913 11 HE3 MET 1 2HE MET 1 3.906 -15.670 7.393 12 H ILE 2 H ILE 2 1.371 -12.805 2.803 13 HA ILE 2 HA ILE 2 -0.674 -10.810 2.119 14 HB ILE 2 HB ILE 2 1.672 -10.045 2.133 15 HG12 ILE 2 2HG1 ILE 2 0.503 -10.063 -0.663 16 HG13 ILE 2 1HG1 ILE 2 -0.063 -9.036 0.647 17 HG21 ILE 2 1HG2 ILE 2 3.231 -10.786 0.392 18 HG22 ILE 2 2HG2 ILE 2 2.058 -11.986 -0.153 19 HG23 ILE 2 3HG2 ILE 2 2.769 -12.115 1.457 20 HD11 ILE 2 3HD1 ILE 2 2.671 -8.991 -0.585 21 HD12 ILE 2 1HD1 ILE 2 2.139 -7.985 0.765 22 HD13 ILE 2 2HD1 ILE 2 1.388 -7.808 -0.820 23 H SER 3 H SER 3 -1.946 -10.990 0.341 24 HA SER 3 HA SER 3 -1.513 -13.270 -1.493 25 HG SER 3 HG SER 3 -4.999 -13.190 -2.186 26 HB2 SER 3 2HB SER 3 -3.484 -13.689 -0.079 27 HB3 SER 3 1HB SER 3 -4.178 -12.146 -0.571 28 H ASN 4 H ASN 4 -3.139 -12.827 -3.508 29 HA ASN 4 HA ASN 4 -1.822 -11.057 -5.144 30 HB2 ASN 4 2HB ASN 4 -3.379 -12.894 -5.852 31 HB3 ASN 4 1HB ASN 4 -4.731 -11.838 -5.451 32 HD21 ASN 4 1HD2 ASN 4 -2.202 -12.512 -7.700 33 HD22 ASN 4 2HD2 ASN 4 -2.687 -11.371 -8.903 34 H ALA 5 H ALA 5 -4.940 -10.425 -3.507 35 HA ALA 5 HA ALA 5 -5.377 -7.848 -4.516 36 HB1 ALA 5 3HB ALA 5 -6.958 -7.566 -2.691 37 HB2 ALA 5 1HB ALA 5 -6.262 -8.954 -1.852 38 HB3 ALA 5 2HB ALA 5 -7.096 -9.180 -3.390 39 H LYS 6 H LYS 6 -3.737 -8.849 -1.518 40 HA LYS 6 HA LYS 6 -3.169 -6.250 -0.571 41 HB2 LYS 6 2HB LYS 6 -1.802 -8.897 -0.057 42 HB3 LYS 6 1HB LYS 6 -1.357 -7.411 0.766 43 HG2 LYS 6 2HG LYS 6 -3.603 -7.252 1.716 44 HG3 LYS 6 1HG LYS 6 -4.064 -8.739 0.886 45 HD2 LYS 6 2HD LYS 6 -2.403 -9.994 2.164 46 HD3 LYS 6 1HD LYS 6 -1.845 -8.508 2.934 47 HE2 LYS 6 2HE LYS 6 -3.990 -8.232 4.034 48 HE3 LYS 6 1HE LYS 6 -4.636 -9.641 3.196 49 HZ1 LYS 6 3HZ LYS 6 -2.412 -9.666 5.173 50 HZ2 LYS 6 1HZ LYS 6 -3.021 -11.020 4.364 51 HZ3 LYS 6 2HZ LYS 6 -3.997 -10.179 5.456 52 H ILE 7 H ILE 7 -1.240 -8.481 -2.584 53 HA ILE 7 HA ILE 7 1.091 -6.944 -2.829 54 HB ILE 7 HB ILE 7 -0.152 -8.768 -4.906 55 HG12 ILE 7 2HG1 ILE 7 1.960 -9.348 -2.807 56 HG13 ILE 7 1HG1 ILE 7 0.285 -9.883 -2.739 57 HG21 ILE 7 1HG2 ILE 7 1.501 -7.311 -5.929 58 HG22 ILE 7 2HG2 ILE 7 2.131 -8.954 -5.826 59 HG23 ILE 7 3HG2 ILE 7 2.678 -7.728 -4.682 60 HD11 ILE 7 3HD1 ILE 7 2.336 -10.702 -4.785 61 HD12 ILE 7 1HD1 ILE 7 0.645 -11.209 -4.772 62 HD13 ILE 7 2HD1 ILE 7 1.719 -11.681 -3.456 63 H ALA 8 H ALA 8 -1.660 -7.111 -5.109 64 HA ALA 8 HA ALA 8 -0.857 -5.057 -6.821 65 HB1 ALA 8 3HB ALA 8 -3.174 -4.984 -7.574 66 HB2 ALA 8 1HB ALA 8 -3.684 -5.882 -6.145 67 HB3 ALA 8 2HB ALA 8 -2.649 -6.653 -7.347 68 H ARG 9 H ARG 9 -2.627 -4.902 -3.758 69 HA ARG 9 HA ARG 9 -3.392 -2.180 -3.963 70 HE ARG 9 HE ARG 9 -5.231 0.806 -2.040 71 HB2 ARG 9 2HB ARG 9 -4.360 -3.857 -2.350 72 HB3 ARG 9 1HB ARG 9 -2.896 -3.683 -1.389 73 HG2 ARG 9 2HG ARG 9 -4.621 -2.291 -0.456 74 HG3 ARG 9 1HG ARG 9 -3.370 -1.262 -1.161 75 HD2 ARG 9 2HD ARG 9 -4.795 -1.107 -3.227 76 HD3 ARG 9 1HD ARG 9 -6.069 -1.939 -2.337 77 HH11 ARG 9 1HH1 ARG 9 -6.921 -1.828 -0.597 78 HH12 ARG 9 2HH1 ARG 9 -7.895 -0.800 0.394 79 HH21 ARG 9 1HH2 ARG 9 -6.501 2.116 -0.763 80 HH22 ARG 9 2HH2 ARG 9 -7.675 1.402 0.283 81 H ILE 10 H ILE 10 -0.519 -3.732 -2.511 82 HA ILE 10 HA ILE 10 0.713 -1.446 -1.470 83 HB ILE 10 HB ILE 10 2.019 -3.867 -2.739 84 HG12 ILE 10 2HG1 ILE 10 1.494 -3.188 0.173 85 HG13 ILE 10 1HG1 ILE 10 0.598 -4.371 -0.776 86 HG21 ILE 10 1HG2 ILE 10 4.055 -3.218 -1.534 87 HG22 ILE 10 2HG2 ILE 10 3.260 -1.743 -0.983 88 HG23 ILE 10 3HG2 ILE 10 3.574 -1.985 -2.702 89 HD11 ILE 10 3HD1 ILE 10 3.517 -4.514 -0.048 90 HD12 ILE 10 1HD1 ILE 10 2.646 -5.693 -1.034 91 HD13 ILE 10 2HD1 ILE 10 2.208 -5.460 0.659 92 H ASN 11 H ASN 11 0.909 -2.813 -4.752 93 HA ASN 11 HA ASN 11 2.641 -0.869 -5.836 94 HB2 ASN 11 2HB ASN 11 0.526 -2.544 -7.220 95 HB3 ASN 11 1HB ASN 11 1.809 -1.653 -8.038 96 HD21 ASN 11 1HD2 ASN 11 1.216 -4.544 -7.924 97 HD22 ASN 11 2HD2 ASN 11 2.673 -5.281 -7.361 98 H GLU 12 H GLU 12 -0.906 -0.978 -5.620 99 HA GLU 12 HA GLU 12 -1.501 1.383 -7.024 100 HB2 GLU 12 2HB GLU 12 -3.249 -0.187 -6.347 101 HB3 GLU 12 1HB GLU 12 -2.926 0.149 -4.649 102 HG2 GLU 12 2HG GLU 12 -3.515 2.591 -5.240 103 HG3 GLU 12 1HG GLU 12 -4.222 1.916 -6.704 104 H LEU 13 H LEU 13 -1.120 0.918 -3.512 105 HA LEU 13 HA LEU 13 -1.427 3.643 -2.843 106 HG LEU 13 HG LEU 13 -2.477 0.865 -1.774 107 HB2 LEU 13 2HB LEU 13 -0.132 1.413 -1.263 108 HB3 LEU 13 1HB LEU 13 -0.629 2.964 -0.609 109 HD11 LEU 13 1HD1 LEU 13 -2.074 1.756 1.083 110 HD12 LEU 13 2HD1 LEU 13 -1.581 0.209 0.393 111 HD13 LEU 13 3HD1 LEU 13 -3.293 0.614 0.517 112 HD21 LEU 13 3HD2 LEU 13 -3.335 3.088 -2.213 113 HD22 LEU 13 1HD2 LEU 13 -3.095 3.545 -0.525 114 HD23 LEU 13 2HD2 LEU 13 -4.289 2.317 -0.946 115 H ALA 14 H ALA 14 1.437 1.698 -3.544 116 HA ALA 14 HA ALA 14 3.407 3.579 -2.846 117 HB1 ALA 14 3HB ALA 14 4.891 2.353 -4.330 118 HB2 ALA 14 1HB ALA 14 3.513 1.562 -5.099 119 HB3 ALA 14 2HB ALA 14 3.892 1.227 -3.409 120 H ALA 15 H ALA 15 1.740 3.031 -5.960 121 HA ALA 15 HA ALA 15 2.894 5.177 -7.377 122 HB1 ALA 15 3HB ALA 15 0.162 3.935 -7.753 123 HB2 ALA 15 1HB ALA 15 1.669 3.359 -8.468 124 HB3 ALA 15 2HB ALA 15 1.019 4.932 -8.930 125 H LYS 16 H LYS 16 -0.081 5.000 -5.433 126 HA LYS 16 HA LYS 16 -0.981 7.627 -5.779 127 HB2 LYS 16 2HB LYS 16 -1.272 5.703 -3.475 128 HB3 LYS 16 1HB LYS 16 -2.036 7.284 -3.478 129 HG2 LYS 16 2HG LYS 16 -3.280 6.681 -5.500 130 HG3 LYS 16 1HG LYS 16 -2.523 5.084 -5.481 131 HD2 LYS 16 2HD LYS 16 -3.580 4.532 -3.399 132 HD3 LYS 16 1HD LYS 16 -4.155 6.186 -3.187 133 HE2 LYS 16 2HE LYS 16 -5.626 5.933 -5.122 134 HE3 LYS 16 1HE LYS 16 -5.028 4.292 -5.375 135 HZ1 LYS 16 3HZ LYS 16 -7.203 4.520 -4.151 136 HZ2 LYS 16 1HZ LYS 16 -6.320 5.136 -2.845 137 HZ3 LYS 16 2HZ LYS 16 -6.029 3.562 -3.395 138 H ALA 17 H ALA 17 1.349 6.303 -3.454 139 HA ALA 17 HA ALA 17 1.826 8.711 -2.033 140 HB1 ALA 17 3HB ALA 17 3.818 7.606 -1.174 141 HB2 ALA 17 1HB ALA 17 3.684 6.359 -2.414 142 HB3 ALA 17 2HB ALA 17 2.448 6.498 -1.164 143 H LYS 18 H LYS 18 3.488 7.203 -4.778 144 HA LYS 18 HA LYS 18 5.457 9.167 -5.194 145 HB2 LYS 18 2HB LYS 18 5.555 6.950 -6.219 146 HB3 LYS 18 1HB LYS 18 4.110 7.294 -7.157 147 HG2 LYS 18 2HG LYS 18 5.266 8.911 -8.484 148 HG3 LYS 18 1HG LYS 18 6.684 8.838 -7.439 149 HD2 LYS 18 2HD LYS 18 7.048 7.576 -9.507 150 HD3 LYS 18 1HD LYS 18 7.070 6.509 -8.102 151 HE2 LYS 18 2HE LYS 18 5.828 5.459 -9.888 152 HE3 LYS 18 1HE LYS 18 4.719 5.888 -8.587 153 HZ1 LYS 18 3HZ LYS 18 5.136 7.464 -11.069 154 HZ2 LYS 18 1HZ LYS 18 4.026 7.813 -9.843 155 HZ3 LYS 18 2HZ LYS 18 3.833 6.422 -10.784 156 H ALA 19 H ALA 19 2.090 9.008 -6.162 157 HA ALA 19 HA ALA 19 2.251 11.419 -7.779 158 HB1 ALA 19 3HB ALA 19 0.764 9.565 -8.421 159 HB2 ALA 19 1HB ALA 19 -0.121 11.074 -8.183 160 HB3 ALA 19 2HB ALA 19 -0.169 9.816 -6.947 161 H GLY 20 H GLY 20 1.779 10.666 -4.487 162 HA2 GLY 20 2HA GLY 20 1.488 12.071 -2.673 163 HA3 GLY 20 1HA GLY 20 1.371 13.425 -3.782 164 H VAL 21 H VAL 21 -0.819 11.032 -4.667 165 HA VAL 21 HA VAL 21 -3.043 12.665 -3.718 166 HB VAL 21 HB VAL 21 -4.446 11.312 -5.199 167 HG11 VAL 21 1HG1 VAL 21 -3.290 13.252 -6.133 168 HG12 VAL 21 2HG1 VAL 21 -3.451 11.977 -7.339 169 HG13 VAL 21 3HG1 VAL 21 -1.901 12.241 -6.541 170 HG21 VAL 21 3HG2 VAL 21 -3.461 9.591 -6.649 171 HG22 VAL 21 1HG2 VAL 21 -3.325 9.152 -4.947 172 HG23 VAL 21 2HG2 VAL 21 -1.917 9.767 -5.815 173 H ILE 22 H ILE 22 -1.373 10.085 -2.494 174 HA ILE 22 HA ILE 22 -3.577 8.514 -1.496 175 HB ILE 22 HB ILE 22 -1.330 7.542 -2.002 176 HG12 ILE 22 2HG1 ILE 22 -2.234 7.185 0.872 177 HG13 ILE 22 1HG1 ILE 22 -2.938 6.374 -0.524 178 HG21 ILE 22 1HG2 ILE 22 -0.466 8.977 0.506 179 HG22 ILE 22 2HG2 ILE 22 0.050 9.359 -1.136 180 HG23 ILE 22 3HG2 ILE 22 0.496 7.817 -0.409 181 HD11 ILE 22 3HD1 ILE 22 -1.431 4.906 0.669 182 HD12 ILE 22 1HD1 ILE 22 -0.113 6.058 0.467 183 HD13 ILE 22 2HD1 ILE 22 -0.807 5.253 -0.942 184 H THR 23 H THR 23 -4.389 8.447 0.584 185 HA THR 23 HA THR 23 -3.702 10.695 2.350 186 HB THR 23 HB THR 23 -5.672 10.028 3.687 187 HG1 THR 23 HG1 THR 23 -6.172 8.097 1.634 188 HG21 THR 23 3HG2 THR 23 -7.386 10.626 2.028 189 HG22 THR 23 1HG2 THR 23 -6.220 10.343 0.735 190 HG23 THR 23 2HG2 THR 23 -5.950 11.644 1.894 191 H GLU 24 H GLU 24 -3.209 10.373 4.593 192 HA GLU 24 HA GLU 24 -1.255 8.412 5.027 193 HB2 GLU 24 2HB GLU 24 -2.769 10.011 7.097 194 HB3 GLU 24 1HB GLU 24 -1.270 9.134 7.379 195 HG2 GLU 24 2HG GLU 24 -0.279 10.591 5.524 196 HG3 GLU 24 1HG GLU 24 -1.716 11.592 5.716 197 H GLU 25 H GLU 25 -4.694 8.303 5.627 198 HA GLU 25 HA GLU 25 -4.827 6.045 7.283 199 HB2 GLU 25 2HB GLU 25 -6.787 7.404 6.761 200 HB3 GLU 25 1HB GLU 25 -6.699 6.925 5.074 201 HG2 GLU 25 2HG GLU 25 -7.223 4.630 5.666 202 HG3 GLU 25 1HG GLU 25 -7.225 5.053 7.379 203 H GLU 26 H GLU 26 -4.750 6.273 3.736 204 HA GLU 26 HA GLU 26 -4.697 3.470 3.250 205 HB2 GLU 26 2HB GLU 26 -3.731 5.743 1.495 206 HB3 GLU 26 1HB GLU 26 -4.048 4.098 0.962 207 HG2 GLU 26 2HG GLU 26 -6.400 4.350 1.430 208 HG3 GLU 26 1HG GLU 26 -6.127 5.955 2.108 209 H LYS 27 H LYS 27 -2.195 5.905 3.773 210 HA LYS 27 HA LYS 27 0.044 4.341 3.045 211 HB2 LYS 27 2HB LYS 27 -0.137 6.577 5.083 212 HB3 LYS 27 1HB LYS 27 1.360 5.929 4.420 213 HG2 LYS 27 2HG LYS 27 0.655 6.655 2.170 214 HG3 LYS 27 1HG LYS 27 -0.815 7.339 2.867 215 HD2 LYS 27 2HD LYS 27 0.838 9.084 2.500 216 HD3 LYS 27 1HD LYS 27 0.558 8.869 4.228 217 HE2 LYS 27 2HE LYS 27 2.608 7.597 4.439 218 HE3 LYS 27 1HE LYS 27 2.859 7.649 2.695 219 HZ1 LYS 27 3HZ LYS 27 4.201 9.277 3.943 220 HZ2 LYS 27 1HZ LYS 27 2.778 10.044 4.443 221 HZ3 LYS 27 2HZ LYS 27 3.182 10.003 2.801 222 H ALA 28 H ALA 28 -1.519 4.837 6.213 223 HA ALA 28 HA ALA 28 0.056 3.094 7.737 224 HB1 ALA 28 3HB ALA 28 -1.544 4.655 8.728 225 HB2 ALA 28 1HB ALA 28 -1.844 3.010 9.291 226 HB3 ALA 28 2HB ALA 28 -2.885 3.725 8.058 227 H GLU 29 H GLU 29 -2.802 2.461 5.739 228 HA GLU 29 HA GLU 29 -3.077 -0.288 6.258 229 HB2 GLU 29 2HB GLU 29 -4.756 1.084 5.058 230 HB3 GLU 29 1HB GLU 29 -3.664 1.201 3.685 231 HG2 GLU 29 2HG GLU 29 -5.347 -0.458 3.239 232 HG3 GLU 29 1HG GLU 29 -3.778 -1.243 3.403 233 H GLN 30 H GLN 30 -1.252 1.394 3.695 234 HA GLN 30 HA GLN 30 -0.150 -0.812 2.411 235 HB2 GLN 30 2HB GLN 30 0.016 1.467 1.515 236 HB3 GLN 30 1HB GLN 30 1.101 1.918 2.823 237 HG2 GLN 30 2HG GLN 30 2.809 0.443 1.997 238 HG3 GLN 30 1HG GLN 30 1.716 -0.217 0.783 239 HE21 GLN 30 1HE2 GLN 30 1.868 3.194 1.557 240 HE22 GLN 30 2HE2 GLN 30 2.567 3.690 0.062 241 H GLN 31 H GLN 31 1.001 0.899 5.311 242 HA GLN 31 HA GLN 31 3.417 -0.445 5.715 243 HB2 GLN 31 2HB GLN 31 1.430 0.450 7.821 244 HB3 GLN 31 1HB GLN 31 3.121 0.060 8.112 245 HG2 GLN 31 2HG GLN 31 3.797 1.928 6.676 246 HG3 GLN 31 1HG GLN 31 2.101 2.319 6.396 247 HE21 GLN 31 1HE2 GLN 31 2.261 4.359 7.307 248 HE22 GLN 31 2HE2 GLN 31 2.466 4.611 9.003 249 H LYS 32 H LYS 32 0.186 -1.302 6.997 250 HA LYS 32 HA LYS 32 0.774 -3.725 8.213 251 HB2 LYS 32 2HB LYS 32 -1.437 -2.587 8.298 252 HB3 LYS 32 1HB LYS 32 -1.730 -3.066 6.632 253 HG2 LYS 32 2HG LYS 32 -1.466 -5.463 7.418 254 HG3 LYS 32 1HG LYS 32 -1.532 -4.831 9.062 255 HD2 LYS 32 2HD LYS 32 -3.679 -4.543 6.950 256 HD3 LYS 32 1HD LYS 32 -3.725 -5.635 8.330 257 HE2 LYS 32 2HE LYS 32 -5.068 -3.816 8.959 258 HE3 LYS 32 1HE LYS 32 -3.535 -3.540 9.783 259 HZ1 LYS 32 3HZ LYS 32 -4.660 -1.602 8.566 260 HZ2 LYS 32 1HZ LYS 32 -4.071 -2.313 7.156 261 HZ3 LYS 32 2HZ LYS 32 -2.998 -1.808 8.363 262 H LEU 33 H LEU 33 -0.111 -3.136 4.824 263 HA LEU 33 HA LEU 33 -0.087 -5.797 3.931 264 HG LEU 33 HG LEU 33 -1.647 -3.037 3.395 265 HB2 LEU 33 2HB LEU 33 0.552 -3.303 2.353 266 HB3 LEU 33 1HB LEU 33 0.065 -4.849 1.685 267 HD11 LEU 33 1HD1 LEU 33 -1.308 -2.164 1.152 268 HD12 LEU 33 2HD1 LEU 33 -2.965 -2.731 1.359 269 HD13 LEU 33 3HD1 LEU 33 -1.805 -3.709 0.460 270 HD21 LEU 33 3HD2 LEU 33 -3.464 -4.614 2.866 271 HD22 LEU 33 1HD2 LEU 33 -2.186 -5.360 3.826 272 HD23 LEU 33 2HD2 LEU 33 -2.292 -5.683 2.095 273 H ARG 34 H ARG 34 2.519 -3.382 4.071 274 HA ARG 34 HA ARG 34 4.465 -4.885 2.686 275 HE ARG 34 HE ARG 34 7.328 -2.026 2.574 276 HB2 ARG 34 2HB ARG 34 4.828 -2.764 4.816 277 HB3 ARG 34 1HB ARG 34 6.134 -3.419 3.831 278 HG2 ARG 34 2HG ARG 34 5.012 -2.584 1.808 279 HG3 ARG 34 1HG ARG 34 3.730 -1.905 2.808 280 HD2 ARG 34 2HD ARG 34 5.261 -0.147 2.245 281 HD3 ARG 34 1HD ARG 34 5.442 -0.514 3.960 282 HH11 ARG 34 1HH1 ARG 34 6.669 1.286 3.260 283 HH12 ARG 34 2HH1 ARG 34 8.317 1.765 3.065 284 HH21 ARG 34 1HH2 ARG 34 9.432 -1.396 2.318 285 HH22 ARG 34 2HH2 ARG 34 9.859 0.273 2.509 286 H GLN 35 H GLN 35 3.766 -4.672 6.182 287 HA GLN 35 HA GLN 35 5.740 -6.531 6.982 288 HB2 GLN 35 2HB GLN 35 3.231 -5.483 8.249 289 HB3 GLN 35 1HB GLN 35 4.063 -6.845 8.987 290 HG2 GLN 35 2HG GLN 35 4.754 -4.755 10.008 291 HG3 GLN 35 1HG GLN 35 6.103 -5.526 9.181 292 HE21 GLN 35 1HE2 GLN 35 3.977 -2.802 9.256 293 HE22 GLN 35 2HE2 GLN 35 4.794 -1.870 8.052 294 H GLU 36 H GLU 36 2.397 -6.993 5.902 295 HA GLU 36 HA GLU 36 2.247 -9.789 6.283 296 HB2 GLU 36 2HB GLU 36 0.935 -8.002 4.217 297 HB3 GLU 36 1HB GLU 36 0.544 -9.706 4.409 298 HG2 GLU 36 2HG GLU 36 0.229 -7.616 6.560 299 HG3 GLU 36 1HG GLU 36 -1.066 -8.186 5.508 300 H TYR 37 H TYR 37 3.668 -7.824 3.772 301 HA TYR 37 HA TYR 37 4.316 -9.947 1.961 302 HD1 TYR 37 HD1 TYR 37 4.433 -9.264 -0.691 303 HD2 TYR 37 HD2 TYR 37 7.547 -7.099 1.261 304 HE1 TYR 37 HE1 TYR 37 5.870 -9.562 -2.661 305 HE2 TYR 37 HE2 TYR 37 8.993 -7.404 -0.707 306 HH TYR 37 HH TYR 37 7.810 -8.397 -3.705 307 HB2 TYR 37 2HB TYR 37 4.016 -7.606 1.256 308 HB3 TYR 37 1HB TYR 37 5.404 -7.131 2.220 309 H LEU 38 H LEU 38 5.964 -8.329 4.620 310 HA LEU 38 HA LEU 38 8.540 -9.467 4.095 311 HG LEU 38 HG LEU 38 7.536 -6.533 4.735 312 HB2 LEU 38 2HB LEU 38 7.459 -8.133 6.582 313 HB3 LEU 38 1HB LEU 38 9.141 -8.551 6.318 314 HD11 LEU 38 1HD1 LEU 38 9.052 -4.891 5.719 315 HD12 LEU 38 2HD1 LEU 38 9.832 -6.164 6.658 316 HD13 LEU 38 3HD1 LEU 38 8.146 -5.749 6.963 317 HD21 LEU 38 3HD2 LEU 38 10.420 -7.375 4.440 318 HD22 LEU 38 1HD2 LEU 38 9.654 -6.025 3.601 319 HD23 LEU 38 2HD2 LEU 38 9.119 -7.676 3.287 320 H LYS 39 H LYS 39 5.731 -10.589 5.807 321 HA LYS 39 HA LYS 39 6.904 -12.380 7.615 322 HB2 LYS 39 2HB LYS 39 4.267 -12.499 6.149 323 HB3 LYS 39 1HB LYS 39 4.741 -13.703 7.340 324 HG2 LYS 39 2HG LYS 39 4.940 -11.934 9.036 325 HG3 LYS 39 1HG LYS 39 4.407 -10.746 7.845 326 HD2 LYS 39 2HD LYS 39 2.262 -11.874 7.633 327 HD3 LYS 39 1HD LYS 39 2.797 -13.152 8.727 328 HE2 LYS 39 2HE LYS 39 2.491 -10.237 9.462 329 HE3 LYS 39 1HE LYS 39 1.328 -11.508 9.832 330 HZ1 LYS 39 3HZ LYS 39 4.112 -11.310 10.847 331 HZ2 LYS 39 1HZ LYS 39 3.083 -12.623 11.131 332 HZ3 LYS 39 2HZ LYS 39 2.692 -11.094 11.737 333 H GLY 40 H GLY 40 8.670 -13.438 6.740 334 HA2 GLY 40 2HA GLY 40 9.417 -15.586 6.024 335 HA3 GLY 40 1HA GLY 40 8.027 -15.693 4.957 336 H PHE 41 H PHE 41 9.182 -12.637 4.558 337 HA PHE 41 HA PHE 41 10.425 -13.341 2.030 338 HD1 PHE 41 HD1 PHE 41 9.532 -12.264 -0.123 339 HD2 PHE 41 HD2 PHE 41 11.314 -9.099 2.103 340 HE1 PHE 41 HE1 PHE 41 10.456 -11.324 -2.198 341 HE2 PHE 41 HE2 PHE 41 12.239 -8.156 0.027 342 HZ PHE 41 HZ PHE 41 11.811 -9.269 -2.129 343 HB2 PHE 41 2HB PHE 41 8.735 -11.498 2.249 344 HB3 PHE 41 1HB PHE 41 9.909 -10.592 3.193 345 H ARG 42 H ARG 42 12.490 -12.548 1.349 346 HA ARG 42 HA ARG 42 14.558 -13.146 3.094 347 HE ARG 42 HE ARG 42 14.058 -10.739 -2.717 348 HB2 ARG 42 2HB ARG 42 16.064 -12.173 1.346 349 HB3 ARG 42 1HB ARG 42 14.895 -13.344 0.746 350 HG2 ARG 42 2HG ARG 42 13.475 -11.509 -0.060 351 HG3 ARG 42 1HG ARG 42 14.662 -10.344 0.530 352 HD2 ARG 42 2HD ARG 42 16.342 -11.287 -0.985 353 HD3 ARG 42 1HD ARG 42 15.159 -12.453 -1.574 354 HH11 ARG 42 1HH1 ARG 42 16.815 -9.578 -0.993 355 HH12 ARG 42 2HH1 ARG 42 16.837 -8.061 -1.831 356 HH21 ARG 42 1HH2 ARG 42 14.107 -8.797 -3.797 357 HH22 ARG 42 2HH2 ARG 42 15.316 -7.626 -3.409 358 H SER 43 H SER 43 13.236 -9.911 2.390 359 HA SER 43 HA SER 43 15.320 -8.628 3.958 360 HG SER 43 HG SER 43 11.980 -7.428 3.555 361 HB2 SER 43 2HB SER 43 14.130 -6.521 3.509 362 HB3 SER 43 1HB SER 43 14.373 -7.430 2.019 363 H SER 44 H SER 44 15.070 -9.619 5.993 364 HA SER 44 HA SER 44 12.497 -9.494 7.347 365 HG SER 44 HG SER 44 13.445 -11.779 9.649 366 HB2 SER 44 2HB SER 44 13.853 -11.521 7.567 367 HB3 SER 44 1HB SER 44 15.163 -10.584 8.289 368 H MET 45 H MET 45 15.804 -8.266 8.034 369 HA MET 45 HA MET 45 16.587 -6.735 9.531 370 HB2 MET 45 2HB MET 45 15.317 -5.254 7.944 371 HB3 MET 45 1HB MET 45 13.946 -5.323 9.041 372 HG2 MET 45 2HG MET 45 15.312 -4.289 10.799 373 HG3 MET 45 1HG MET 45 16.672 -4.202 9.679 374 HE1 MET 45 3HE MET 45 15.586 -0.443 10.016 375 HE2 MET 45 1HE MET 45 16.905 -1.600 10.196 376 HE3 MET 45 2HE MET 45 15.523 -1.658 11.292 377 H LYS 46 H LYS 46 15.871 -8.809 10.879 378 HA LYS 46 HA LYS 46 13.706 -8.456 12.725 379 HB2 LYS 46 2HB LYS 46 14.494 -10.668 11.872 380 HB3 LYS 46 1HB LYS 46 15.973 -10.466 12.804 381 HG2 LYS 46 2HG LYS 46 14.676 -10.448 14.875 382 HG3 LYS 46 1HG LYS 46 13.183 -10.620 13.949 383 HD2 LYS 46 2HD LYS 46 13.967 -12.787 13.096 384 HD3 LYS 46 1HD LYS 46 15.456 -12.612 14.027 385 HE2 LYS 46 2HE LYS 46 13.888 -14.068 15.186 386 HE3 LYS 46 1HE LYS 46 14.155 -12.589 16.104 387 HZ1 LYS 46 3HZ LYS 46 11.812 -13.114 14.353 388 HZ2 LYS 46 1HZ LYS 46 12.061 -11.730 15.294 389 HZ3 LYS 46 2HZ LYS 46 11.815 -13.227 16.041 390 H LEU 47 H LEU 47 13.911 -8.396 15.064 391 HA LEU 47 HA LEU 47 15.809 -6.418 15.919 392 HG LEU 47 HG LEU 47 13.822 -5.026 16.558 393 HB2 LEU 47 2HB LEU 47 13.652 -7.935 17.385 394 HB3 LEU 47 1HB LEU 47 14.684 -6.755 18.167 395 HD11 LEU 47 1HD1 LEU 47 11.831 -7.171 15.823 396 HD12 LEU 47 2HD1 LEU 47 13.079 -6.511 14.767 397 HD13 LEU 47 3HD1 LEU 47 11.763 -5.479 15.329 398 HD21 LEU 47 3HD2 LEU 47 11.674 -4.736 17.695 399 HD22 LEU 47 1HD2 LEU 47 12.945 -5.204 18.824 400 HD23 LEU 47 2HD2 LEU 47 11.762 -6.396 18.286 401 H GLU 48 H GLU 48 17.376 -6.598 17.550 402 HA GLU 48 HA GLU 48 18.623 -9.242 17.722 403 HB2 GLU 48 2HB GLU 48 19.645 -6.489 18.469 404 HB3 GLU 48 1HB GLU 48 20.582 -7.972 18.614 405 HG2 GLU 48 2HG GLU 48 20.521 -8.303 16.231 406 HG3 GLU 48 1HG GLU 48 19.440 -6.926 16.025 Start of MODEL 9 1 HA MET 1 HA MET 1 2.124 -15.483 3.245 2 H1 MET 1 1H MET 1 1.085 -17.326 4.449 3 H2 MET 1 2H MET 1 -0.444 -16.688 4.102 4 H3 MET 1 3H MET 1 0.642 -15.813 5.059 5 HB2 MET 1 2HB MET 1 1.656 -16.324 1.013 6 HB3 MET 1 1HB MET 1 1.698 -17.667 2.147 7 HG2 MET 1 2HG MET 1 -0.742 -17.716 2.196 8 HG3 MET 1 1HG MET 1 -0.794 -16.354 1.081 9 HE1 MET 1 3HE MET 1 -2.322 -17.560 -0.648 10 HE2 MET 1 1HE MET 1 -2.439 -18.930 0.459 11 HE3 MET 1 2HE MET 1 -2.042 -19.197 -1.238 12 H ILE 2 H ILE 2 1.912 -13.628 1.927 13 HA ILE 2 HA ILE 2 -0.521 -12.120 2.333 14 HB ILE 2 HB ILE 2 1.591 -10.952 2.536 15 HG12 ILE 2 2HG1 ILE 2 0.079 -10.038 0.066 16 HG13 ILE 2 1HG1 ILE 2 -0.364 -9.679 1.731 17 HG21 ILE 2 1HG2 ILE 2 2.072 -11.579 -0.379 18 HG22 ILE 2 2HG2 ILE 2 2.914 -12.315 0.982 19 HG23 ILE 2 3HG2 ILE 2 3.099 -10.591 0.662 20 HD11 ILE 2 3HD1 ILE 2 0.720 -7.784 0.684 21 HD12 ILE 2 1HD1 ILE 2 2.142 -8.767 0.333 22 HD13 ILE 2 2HD1 ILE 2 1.705 -8.409 2.006 23 H SER 3 H SER 3 -2.155 -11.821 0.918 24 HA SER 3 HA SER 3 -2.274 -13.410 -1.462 25 HG SER 3 HG SER 3 -4.977 -10.977 0.258 26 HB2 SER 3 2HB SER 3 -4.533 -12.528 -1.725 27 HB3 SER 3 1HB SER 3 -4.263 -12.945 -0.032 28 H ASN 4 H ASN 4 -2.430 -12.752 -3.623 29 HA ASN 4 HA ASN 4 -0.892 -10.552 -4.463 30 HB2 ASN 4 2HB ASN 4 -2.918 -12.234 -5.949 31 HB3 ASN 4 1HB ASN 4 -1.929 -10.999 -6.727 32 HD21 ASN 4 1HD2 ASN 4 -0.917 -12.511 -8.027 33 HD22 ASN 4 2HD2 ASN 4 0.262 -13.612 -7.409 34 H ALA 5 H ALA 5 -4.215 -10.763 -3.546 35 HA ALA 5 HA ALA 5 -5.211 -8.391 -4.709 36 HB1 ALA 5 3HB ALA 5 -6.922 -8.469 -2.953 37 HB2 ALA 5 1HB ALA 5 -5.982 -9.683 -2.084 38 HB3 ALA 5 2HB ALA 5 -6.667 -10.061 -3.665 39 H LYS 6 H LYS 6 -3.725 -8.962 -1.506 40 HA LYS 6 HA LYS 6 -3.599 -6.265 -0.698 41 HB2 LYS 6 2HB LYS 6 -1.984 -8.702 0.040 42 HB3 LYS 6 1HB LYS 6 -1.623 -7.125 0.732 43 HG2 LYS 6 2HG LYS 6 -3.818 -6.996 1.719 44 HG3 LYS 6 1HG LYS 6 -4.309 -8.487 0.913 45 HD2 LYS 6 2HD LYS 6 -2.844 -9.800 2.248 46 HD3 LYS 6 1HD LYS 6 -2.011 -8.372 2.868 47 HE2 LYS 6 2HE LYS 6 -3.824 -7.760 4.225 48 HE3 LYS 6 1HE LYS 6 -4.946 -8.812 3.357 49 HZ1 LYS 6 3HZ LYS 6 -2.711 -9.718 5.083 50 HZ2 LYS 6 1HZ LYS 6 -3.810 -10.725 4.283 51 HZ3 LYS 6 2HZ LYS 6 -4.338 -9.700 5.520 52 H ILE 7 H ILE 7 -1.239 -8.286 -2.433 53 HA ILE 7 HA ILE 7 0.819 -6.411 -2.696 54 HB ILE 7 HB ILE 7 0.030 -8.577 -4.663 55 HG12 ILE 7 2HG1 ILE 7 2.029 -8.619 -2.379 56 HG13 ILE 7 1HG1 ILE 7 0.460 -9.414 -2.375 57 HG21 ILE 7 1HG2 ILE 7 1.512 -6.973 -5.719 58 HG22 ILE 7 2HG2 ILE 7 2.391 -8.465 -5.398 59 HG23 ILE 7 3HG2 ILE 7 2.629 -7.061 -4.358 60 HD11 ILE 7 3HD1 ILE 7 2.754 -10.063 -4.211 61 HD12 ILE 7 1HD1 ILE 7 1.181 -10.858 -4.203 62 HD13 ILE 7 2HD1 ILE 7 2.246 -10.993 -2.804 63 H ALA 8 H ALA 8 -2.005 -6.966 -4.801 64 HA ALA 8 HA ALA 8 -1.404 -5.062 -6.778 65 HB1 ALA 8 3HB ALA 8 -3.167 -6.759 -7.025 66 HB2 ALA 8 1HB ALA 8 -3.777 -5.134 -7.345 67 HB3 ALA 8 2HB ALA 8 -4.135 -5.924 -5.809 68 H ARG 9 H ARG 9 -3.317 -4.754 -3.797 69 HA ARG 9 HA ARG 9 -3.920 -2.027 -3.933 70 HE ARG 9 HE ARG 9 -5.420 -0.132 0.309 71 HB2 ARG 9 2HB ARG 9 -4.970 -3.509 -2.322 72 HB3 ARG 9 1HB ARG 9 -3.428 -3.820 -1.543 73 HG2 ARG 9 2HG ARG 9 -4.702 -2.325 -0.180 74 HG3 ARG 9 1HG ARG 9 -3.336 -1.443 -0.858 75 HD2 ARG 9 2HD ARG 9 -4.757 -0.357 -2.465 76 HD3 ARG 9 1HD ARG 9 -6.128 -1.375 -2.014 77 HH11 ARG 9 1HH1 ARG 9 -6.259 1.029 -2.832 78 HH12 ARG 9 2HH1 ARG 9 -6.990 2.467 -2.205 79 HH21 ARG 9 1HH2 ARG 9 -6.329 1.713 1.074 80 HH22 ARG 9 2HH2 ARG 9 -7.029 2.854 -0.028 81 H ILE 10 H ILE 10 -1.037 -3.678 -2.682 82 HA ILE 10 HA ILE 10 0.336 -1.446 -1.663 83 HB ILE 10 HB ILE 10 1.422 -4.009 -2.853 84 HG12 ILE 10 2HG1 ILE 10 1.049 -3.143 0.030 85 HG13 ILE 10 1HG1 ILE 10 0.033 -4.292 -0.830 86 HG21 ILE 10 1HG2 ILE 10 3.539 -3.481 -1.721 87 HG22 ILE 10 2HG2 ILE 10 2.895 -1.902 -1.268 88 HG23 ILE 10 3HG2 ILE 10 3.145 -2.298 -2.968 89 HD11 ILE 10 3HD1 ILE 10 1.941 -5.802 -1.058 90 HD12 ILE 10 1HD1 ILE 10 1.593 -5.431 0.629 91 HD13 ILE 10 2HD1 ILE 10 2.951 -4.653 -0.183 92 H ASN 11 H ASN 11 0.478 -2.926 -4.916 93 HA ASN 11 HA ASN 11 2.327 -1.136 -6.050 94 HB2 ASN 11 2HB ASN 11 0.071 -2.626 -7.420 95 HB3 ASN 11 1HB ASN 11 1.444 -1.880 -8.235 96 HD21 ASN 11 1HD2 ASN 11 0.616 -4.653 -8.241 97 HD22 ASN 11 2HD2 ASN 11 1.947 -5.560 -7.625 98 H GLU 12 H GLU 12 -1.215 -1.028 -5.946 99 HA GLU 12 HA GLU 12 -1.637 1.322 -7.411 100 HB2 GLU 12 2HB GLU 12 -3.447 -0.199 -6.815 101 HB3 GLU 12 1HB GLU 12 -3.220 0.151 -5.108 102 HG2 GLU 12 2HG GLU 12 -3.872 2.506 -5.554 103 HG3 GLU 12 1HG GLU 12 -4.202 2.060 -7.228 104 H LEU 13 H LEU 13 -1.405 0.919 -3.867 105 HA LEU 13 HA LEU 13 -1.523 3.681 -3.271 106 HG LEU 13 HG LEU 13 -2.863 1.165 -2.041 107 HB2 LEU 13 2HB LEU 13 -0.455 1.364 -1.654 108 HB3 LEU 13 1HB LEU 13 -0.674 2.986 -1.021 109 HD11 LEU 13 1HD1 LEU 13 -1.994 0.487 0.131 110 HD12 LEU 13 2HD1 LEU 13 -3.622 1.145 0.276 111 HD13 LEU 13 3HD1 LEU 13 -2.232 2.123 0.750 112 HD21 LEU 13 3HD2 LEU 13 -3.400 3.464 -2.568 113 HD22 LEU 13 1HD2 LEU 13 -3.023 3.965 -0.920 114 HD23 LEU 13 2HD2 LEU 13 -4.403 2.912 -1.229 115 H ALA 14 H ALA 14 1.160 1.564 -4.050 116 HA ALA 14 HA ALA 14 3.315 3.167 -3.295 117 HB1 ALA 14 3HB ALA 14 4.593 1.995 -5.024 118 HB2 ALA 14 1HB ALA 14 3.092 1.398 -5.734 119 HB3 ALA 14 2HB ALA 14 3.572 0.877 -4.119 120 H ALA 15 H ALA 15 1.479 3.142 -6.353 121 HA ALA 15 HA ALA 15 2.871 5.309 -7.549 122 HB1 ALA 15 3HB ALA 15 0.072 4.332 -8.137 123 HB2 ALA 15 1HB ALA 15 1.555 3.702 -8.858 124 HB3 ALA 15 2HB ALA 15 1.060 5.365 -9.174 125 H LYS 16 H LYS 16 -0.151 5.154 -5.662 126 HA LYS 16 HA LYS 16 -0.870 7.851 -5.779 127 HB2 LYS 16 2HB LYS 16 -1.236 5.825 -3.569 128 HB3 LYS 16 1HB LYS 16 -1.927 7.439 -3.506 129 HG2 LYS 16 2HG LYS 16 -3.120 6.889 -5.668 130 HG3 LYS 16 1HG LYS 16 -2.590 5.218 -5.428 131 HD2 LYS 16 2HD LYS 16 -3.741 5.125 -3.290 132 HD3 LYS 16 1HD LYS 16 -4.194 6.823 -3.428 133 HE2 LYS 16 2HE LYS 16 -5.470 6.214 -5.506 134 HE3 LYS 16 1HE LYS 16 -5.150 4.521 -5.127 135 HZ1 LYS 16 3HZ LYS 16 -6.663 6.459 -3.465 136 HZ2 LYS 16 1HZ LYS 16 -6.243 4.904 -2.953 137 HZ3 LYS 16 2HZ LYS 16 -7.287 5.109 -4.268 138 H ALA 17 H ALA 17 1.413 6.219 -3.609 139 HA ALA 17 HA ALA 17 1.992 8.443 -1.955 140 HB1 ALA 17 3HB ALA 17 3.759 6.072 -2.569 141 HB2 ALA 17 1HB ALA 17 2.512 6.127 -1.321 142 HB3 ALA 17 2HB ALA 17 3.925 7.176 -1.202 143 H LYS 18 H LYS 18 3.619 7.175 -4.856 144 HA LYS 18 HA LYS 18 5.664 9.096 -5.038 145 HB2 LYS 18 2HB LYS 18 4.212 7.587 -7.224 146 HB3 LYS 18 1HB LYS 18 5.697 8.499 -7.466 147 HG2 LYS 18 2HG LYS 18 6.909 7.023 -5.997 148 HG3 LYS 18 1HG LYS 18 5.424 6.175 -5.565 149 HD2 LYS 18 2HD LYS 18 6.767 4.918 -7.202 150 HD3 LYS 18 1HD LYS 18 5.185 5.364 -7.843 151 HE2 LYS 18 2HE LYS 18 6.141 7.147 -9.134 152 HE3 LYS 18 1HE LYS 18 7.718 6.923 -8.375 153 HZ1 LYS 18 3HZ LYS 18 6.347 4.927 -10.090 154 HZ2 LYS 18 1HZ LYS 18 7.885 4.765 -9.403 155 HZ3 LYS 18 2HZ LYS 18 7.602 5.938 -10.590 156 H ALA 19 H ALA 19 2.361 9.104 -6.334 157 HA ALA 19 HA ALA 19 2.566 11.687 -7.550 158 HB1 ALA 19 3HB ALA 19 0.095 10.122 -6.803 159 HB2 ALA 19 1HB ALA 19 0.984 9.967 -8.318 160 HB3 ALA 19 2HB ALA 19 0.175 11.484 -7.921 161 H GLY 20 H GLY 20 1.947 10.595 -4.336 162 HA2 GLY 20 2HA GLY 20 1.825 11.844 -2.387 163 HA3 GLY 20 1HA GLY 20 1.796 13.307 -3.356 164 H VAL 21 H VAL 21 -0.536 10.931 -4.197 165 HA VAL 21 HA VAL 21 -2.660 12.644 -3.076 166 HB VAL 21 HB VAL 21 -4.157 11.612 -4.739 167 HG11 VAL 21 1HG1 VAL 21 -1.601 12.726 -5.909 168 HG12 VAL 21 2HG1 VAL 21 -2.980 13.659 -5.327 169 HG13 VAL 21 3HG1 VAL 21 -3.153 12.626 -6.748 170 HG21 VAL 21 3HG2 VAL 21 -3.220 10.178 -6.520 171 HG22 VAL 21 1HG2 VAL 21 -3.125 9.415 -4.933 172 HG23 VAL 21 2HG2 VAL 21 -1.683 10.128 -5.657 173 H ILE 22 H ILE 22 -1.095 10.153 -1.945 174 HA ILE 22 HA ILE 22 -3.295 8.351 -1.322 175 HB ILE 22 HB ILE 22 -1.071 7.430 -1.829 176 HG12 ILE 22 2HG1 ILE 22 -1.897 6.924 1.046 177 HG13 ILE 22 1HG1 ILE 22 -2.622 6.167 -0.369 178 HG21 ILE 22 1HG2 ILE 22 -0.170 8.781 0.717 179 HG22 ILE 22 2HG2 ILE 22 0.301 9.230 -0.921 180 HG23 ILE 22 3HG2 ILE 22 0.791 7.671 -0.261 181 HD11 ILE 22 3HD1 ILE 22 0.226 5.852 0.553 182 HD12 ILE 22 1HD1 ILE 22 -0.470 5.114 -0.890 183 HD13 ILE 22 2HD1 ILE 22 -1.067 4.666 0.708 184 H THR 23 H THR 23 -4.434 8.332 0.577 185 HA THR 23 HA THR 23 -4.050 10.495 2.451 186 HB THR 23 HB THR 23 -5.993 9.618 3.653 187 HG1 THR 23 HG1 THR 23 -6.382 7.585 1.756 188 HG21 THR 23 3HG2 THR 23 -6.387 11.032 1.696 189 HG22 THR 23 1HG2 THR 23 -7.662 9.826 1.869 190 HG23 THR 23 2HG2 THR 23 -6.400 9.605 0.658 191 H GLU 24 H GLU 24 -3.915 10.184 4.787 192 HA GLU 24 HA GLU 24 -1.659 8.732 5.554 193 HB2 GLU 24 2HB GLU 24 -3.903 9.685 7.353 194 HB3 GLU 24 1HB GLU 24 -2.256 9.306 7.848 195 HG2 GLU 24 2HG GLU 24 -1.437 11.139 6.401 196 HG3 GLU 24 1HG GLU 24 -3.107 11.544 6.016 197 H GLU 25 H GLU 25 -5.097 7.933 5.974 198 HA GLU 25 HA GLU 25 -4.884 5.498 7.286 199 HB2 GLU 25 2HB GLU 25 -7.022 6.560 6.886 200 HB3 GLU 25 1HB GLU 25 -6.838 6.366 5.147 201 HG2 GLU 25 2HG GLU 25 -6.920 3.917 5.436 202 HG3 GLU 25 1HG GLU 25 -7.174 4.150 7.166 203 H GLU 26 H GLU 26 -4.957 6.044 3.756 204 HA GLU 26 HA GLU 26 -4.548 3.368 3.000 205 HB2 GLU 26 2HB GLU 26 -3.863 5.929 1.543 206 HB3 GLU 26 1HB GLU 26 -3.813 4.332 0.812 207 HG2 GLU 26 2HG GLU 26 -6.197 4.061 1.159 208 HG3 GLU 26 1HG GLU 26 -6.275 5.619 1.983 209 H LYS 27 H LYS 27 -2.215 5.927 3.790 210 HA LYS 27 HA LYS 27 0.110 4.531 2.996 211 HB2 LYS 27 2HB LYS 27 -0.204 6.606 5.181 212 HB3 LYS 27 1HB LYS 27 1.334 6.021 4.562 213 HG2 LYS 27 2HG LYS 27 0.438 6.811 2.260 214 HG3 LYS 27 1HG LYS 27 -0.708 7.750 3.217 215 HD2 LYS 27 2HD LYS 27 1.233 9.110 2.665 216 HD3 LYS 27 1HD LYS 27 1.183 8.810 4.404 217 HE2 LYS 27 2HE LYS 27 2.863 7.086 4.202 218 HE3 LYS 27 1HE LYS 27 2.844 7.216 2.444 219 HZ1 LYS 27 3HZ LYS 27 3.688 9.478 2.653 220 HZ2 LYS 27 1HZ LYS 27 4.731 8.363 3.381 221 HZ3 LYS 27 2HZ LYS 27 3.725 9.327 4.336 222 H ALA 28 H ALA 28 -1.302 4.867 6.273 223 HA ALA 28 HA ALA 28 0.353 3.054 7.599 224 HB1 ALA 28 3HB ALA 28 -1.419 2.910 9.285 225 HB2 ALA 28 1HB ALA 28 -2.556 3.653 8.158 226 HB3 ALA 28 2HB ALA 28 -1.177 4.574 8.756 227 H GLU 29 H GLU 29 -2.596 2.487 5.741 228 HA GLU 29 HA GLU 29 -2.887 -0.260 6.278 229 HB2 GLU 29 2HB GLU 29 -4.656 1.111 5.269 230 HB3 GLU 29 1HB GLU 29 -3.690 1.305 3.812 231 HG2 GLU 29 2HG GLU 29 -3.873 -1.040 3.308 232 HG3 GLU 29 1HG GLU 29 -4.676 -1.350 4.845 233 H GLN 30 H GLN 30 -1.352 1.357 3.464 234 HA GLN 30 HA GLN 30 -0.325 -0.923 2.229 235 HB2 GLN 30 2HB GLN 30 -0.277 1.242 1.112 236 HB3 GLN 30 1HB GLN 30 0.852 1.869 2.307 237 HG2 GLN 30 2HG GLN 30 2.545 0.268 1.550 238 HG3 GLN 30 1HG GLN 30 1.415 -0.368 0.359 239 HE21 GLN 30 1HE2 GLN 30 1.645 3.048 1.080 240 HE22 GLN 30 2HE2 GLN 30 2.372 3.501 -0.416 241 H GLN 31 H GLN 31 1.127 1.095 4.779 242 HA GLN 31 HA GLN 31 3.595 -0.200 5.004 243 HB2 GLN 31 2HB GLN 31 1.901 1.165 7.108 244 HB3 GLN 31 1HB GLN 31 3.546 0.619 7.400 245 HG2 GLN 31 2HG GLN 31 4.381 2.127 5.685 246 HG3 GLN 31 1HG GLN 31 2.735 2.640 5.314 247 HE21 GLN 31 1HE2 GLN 31 5.331 2.809 7.632 248 HE22 GLN 31 2HE2 GLN 31 4.699 4.152 8.524 249 H LYS 32 H LYS 32 0.518 -0.902 6.668 250 HA LYS 32 HA LYS 32 1.346 -3.154 8.115 251 HB2 LYS 32 2HB LYS 32 -0.774 -2.151 8.606 252 HB3 LYS 32 1HB LYS 32 -1.353 -2.419 6.966 253 HG2 LYS 32 2HG LYS 32 -1.378 -4.825 7.338 254 HG3 LYS 32 1HG LYS 32 -0.722 -4.596 8.961 255 HD2 LYS 32 2HD LYS 32 -2.724 -3.396 9.638 256 HD3 LYS 32 1HD LYS 32 -3.371 -3.499 7.999 257 HE2 LYS 32 2HE LYS 32 -2.738 -5.883 9.739 258 HE3 LYS 32 1HE LYS 32 -4.340 -5.165 9.576 259 HZ1 LYS 32 3HZ LYS 32 -2.758 -6.290 7.326 260 HZ2 LYS 32 1HZ LYS 32 -4.337 -5.698 7.244 261 HZ3 LYS 32 2HZ LYS 32 -4.007 -7.097 8.128 262 H LEU 33 H LEU 33 -0.063 -2.967 4.847 263 HA LEU 33 HA LEU 33 -0.059 -5.707 4.272 264 HG LEU 33 HG LEU 33 -1.739 -3.033 3.503 265 HB2 LEU 33 2HB LEU 33 0.354 -3.425 2.334 266 HB3 LEU 33 1HB LEU 33 -0.145 -5.053 1.914 267 HD11 LEU 33 1HD1 LEU 33 -3.301 -3.173 1.615 268 HD12 LEU 33 2HD1 LEU 33 -2.169 -4.230 0.770 269 HD13 LEU 33 3HD1 LEU 33 -1.719 -2.562 1.132 270 HD21 LEU 33 3HD2 LEU 33 -3.546 -4.711 3.475 271 HD22 LEU 33 1HD2 LEU 33 -2.150 -5.237 4.415 272 HD23 LEU 33 2HD2 LEU 33 -2.420 -5.888 2.799 273 H ARG 34 H ARG 34 2.488 -3.274 3.866 274 HA ARG 34 HA ARG 34 4.406 -4.932 2.621 275 HE ARG 34 HE ARG 34 7.128 -1.868 1.827 276 HB2 ARG 34 2HB ARG 34 4.828 -2.527 4.422 277 HB3 ARG 34 1HB ARG 34 6.079 -3.277 3.440 278 HG2 ARG 34 2HG ARG 34 4.872 -2.692 1.410 279 HG3 ARG 34 1HG ARG 34 3.566 -1.995 2.368 280 HD2 ARG 34 2HD ARG 34 4.936 -0.195 1.596 281 HD3 ARG 34 1HD ARG 34 5.235 -0.385 3.323 282 HH11 ARG 34 1HH1 ARG 34 6.342 1.381 2.700 283 HH12 ARG 34 2HH1 ARG 34 7.969 1.932 2.531 284 HH21 ARG 34 1HH2 ARG 34 9.195 -1.147 1.604 285 HH22 ARG 34 2HH2 ARG 34 9.570 0.519 1.905 286 H GLN 35 H GLN 35 3.637 -4.336 6.032 287 HA GLN 35 HA GLN 35 5.688 -5.913 7.169 288 HB2 GLN 35 2HB GLN 35 2.897 -5.361 8.211 289 HB3 GLN 35 1HB GLN 35 4.196 -6.073 9.157 290 HG2 GLN 35 2HG GLN 35 4.216 -3.312 7.941 291 HG3 GLN 35 1HG GLN 35 3.902 -3.688 9.633 292 HE21 GLN 35 1HE2 GLN 35 5.987 -2.022 8.507 293 HE22 GLN 35 2HE2 GLN 35 7.490 -2.715 9.008 294 H GLU 36 H GLU 36 2.396 -6.746 6.117 295 HA GLU 36 HA GLU 36 2.513 -9.482 6.842 296 HB2 GLU 36 2HB GLU 36 0.834 -8.172 4.689 297 HB3 GLU 36 1HB GLU 36 0.563 -9.769 5.378 298 HG2 GLU 36 2HG GLU 36 0.323 -8.620 7.621 299 HG3 GLU 36 1HG GLU 36 0.289 -7.100 6.732 300 H TYR 37 H TYR 37 3.548 -7.741 3.976 301 HA TYR 37 HA TYR 37 4.260 -9.998 2.406 302 HD1 TYR 37 HD1 TYR 37 4.691 -9.607 -0.300 303 HD2 TYR 37 HD2 TYR 37 7.587 -7.228 1.731 304 HE1 TYR 37 HE1 TYR 37 6.348 -10.146 -2.037 305 HE2 TYR 37 HE2 TYR 37 9.245 -7.758 -0.003 306 HH TYR 37 HH TYR 37 9.670 -9.480 -1.676 307 HB2 TYR 37 2HB TYR 37 4.064 -7.791 1.406 308 HB3 TYR 37 1HB TYR 37 5.338 -7.165 2.444 309 H LEU 38 H LEU 38 5.904 -8.205 4.951 310 HA LEU 38 HA LEU 38 8.427 -9.532 4.619 311 HG LEU 38 HG LEU 38 7.725 -6.532 4.805 312 HB2 LEU 38 2HB LEU 38 7.359 -7.828 6.873 313 HB3 LEU 38 1HB LEU 38 9.004 -8.429 6.785 314 HD11 LEU 38 1HD1 LEU 38 9.220 -4.854 5.727 315 HD12 LEU 38 2HD1 LEU 38 9.845 -6.022 6.891 316 HD13 LEU 38 3HD1 LEU 38 8.164 -5.494 6.986 317 HD21 LEU 38 3HD2 LEU 38 9.369 -7.973 3.726 318 HD22 LEU 38 1HD2 LEU 38 10.555 -7.574 4.970 319 HD23 LEU 38 2HD2 LEU 38 9.982 -6.326 3.864 320 H LYS 39 H LYS 39 5.510 -10.318 6.336 321 HA LYS 39 HA LYS 39 6.538 -12.004 8.337 322 HB2 LYS 39 2HB LYS 39 3.937 -12.253 6.804 323 HB3 LYS 39 1HB LYS 39 4.324 -13.145 8.268 324 HG2 LYS 39 2HG LYS 39 4.517 -11.004 9.487 325 HG3 LYS 39 1HG LYS 39 4.039 -10.151 8.019 326 HD2 LYS 39 2HD LYS 39 1.901 -11.405 8.020 327 HD3 LYS 39 1HD LYS 39 2.380 -12.183 9.530 328 HE2 LYS 39 2HE LYS 39 2.485 -9.969 10.612 329 HE3 LYS 39 1HE LYS 39 1.966 -9.219 9.104 330 HZ1 LYS 39 3HZ LYS 39 -0.098 -10.512 9.252 331 HZ2 LYS 39 1HZ LYS 39 0.106 -9.482 10.582 332 HZ3 LYS 39 2HZ LYS 39 0.403 -11.137 10.739 333 H GLY 40 H GLY 40 8.044 -13.516 7.909 334 HA2 GLY 40 2HA GLY 40 8.682 -15.678 7.228 335 HA3 GLY 40 1HA GLY 40 7.414 -15.658 6.011 336 H PHE 41 H PHE 41 8.674 -12.779 5.511 337 HA PHE 41 HA PHE 41 10.207 -13.650 3.228 338 HD1 PHE 41 HD2 PHE 41 9.456 -12.207 0.816 339 HD2 PHE 41 HD1 PHE 41 11.579 -9.704 3.528 340 HE1 PHE 41 HE2 PHE 41 10.738 -11.267 -1.060 341 HE2 PHE 41 HE1 PHE 41 12.864 -8.761 1.656 342 HZ PHE 41 HZ PHE 41 12.444 -9.542 -0.640 343 HB2 PHE 41 2HB PHE 41 8.624 -11.760 3.096 344 HB3 PHE 41 1HB PHE 41 9.606 -10.857 4.240 345 H ARG 42 H ARG 42 12.120 -14.547 3.954 346 HA ARG 42 HA ARG 42 14.051 -12.646 5.142 347 HE ARG 42 HE ARG 42 13.662 -17.124 6.615 348 HB2 ARG 42 2HB ARG 42 14.071 -15.675 5.304 349 HB3 ARG 42 1HB ARG 42 15.321 -14.616 5.949 350 HG2 ARG 42 2HG ARG 42 13.649 -13.610 7.465 351 HG3 ARG 42 1HG ARG 42 12.444 -14.744 6.849 352 HD2 ARG 42 2HD ARG 42 15.004 -15.467 8.283 353 HD3 ARG 42 1HD ARG 42 13.380 -15.509 8.971 354 HH11 ARG 42 1HH1 ARG 42 14.091 -17.048 10.033 355 HH12 ARG 42 2HH1 ARG 42 13.944 -18.763 10.195 356 HH21 ARG 42 1HH2 ARG 42 13.513 -19.314 6.826 357 HH22 ARG 42 2HH2 ARG 42 13.636 -20.040 8.389 358 H SER 43 H SER 43 15.156 -11.805 3.485 359 HA SER 43 HA SER 43 15.990 -11.455 1.415 360 HG SER 43 HG SER 43 16.700 -15.141 2.098 361 HB2 SER 43 2HB SER 43 17.504 -13.025 0.449 362 HB3 SER 43 1HB SER 43 17.668 -13.213 2.191 363 H SER 44 H SER 44 14.896 -14.804 0.874 364 HA SER 44 HA SER 44 13.328 -15.692 -0.536 365 HG SER 44 HG SER 44 12.186 -16.203 1.592 366 HB2 SER 44 2HB SER 44 11.694 -13.518 0.794 367 HB3 SER 44 1HB SER 44 11.045 -14.971 0.035 368 H MET 45 H MET 45 14.832 -13.492 -1.892 369 HA MET 45 HA MET 45 12.882 -12.161 -3.564 370 HB2 MET 45 2HB MET 45 15.897 -12.245 -3.563 371 HB3 MET 45 1HB MET 45 14.996 -11.469 -4.859 372 HG2 MET 45 2HG MET 45 14.816 -10.743 -1.942 373 HG3 MET 45 1HG MET 45 15.755 -9.879 -3.162 374 HE1 MET 45 3HE MET 45 13.677 -8.360 -1.336 375 HE2 MET 45 1HE MET 45 12.857 -7.355 -2.531 376 HE3 MET 45 2HE MET 45 14.603 -7.590 -2.623 377 H LYS 46 H LYS 46 11.784 -13.335 -5.001 378 HA LYS 46 HA LYS 46 13.304 -15.056 -6.852 379 HB2 LYS 46 2HB LYS 46 11.260 -16.511 -7.019 380 HB3 LYS 46 1HB LYS 46 12.086 -16.576 -5.470 381 HG2 LYS 46 2HG LYS 46 10.390 -14.997 -4.554 382 HG3 LYS 46 1HG LYS 46 9.527 -15.096 -6.089 383 HD2 LYS 46 2HD LYS 46 10.150 -17.459 -4.308 384 HD3 LYS 46 1HD LYS 46 8.609 -16.601 -4.333 385 HE2 LYS 46 2HE LYS 46 9.842 -17.981 -6.722 386 HE3 LYS 46 1HE LYS 46 8.614 -18.694 -5.678 387 HZ1 LYS 46 3HZ LYS 46 8.284 -16.217 -7.285 388 HZ2 LYS 46 1HZ LYS 46 7.105 -16.905 -6.287 389 HZ3 LYS 46 2HZ LYS 46 7.633 -17.731 -7.661 390 H LEU 47 H LEU 47 13.396 -13.876 -8.670 391 HA LEU 47 HA LEU 47 11.021 -12.370 -9.524 392 HG LEU 47 HG LEU 47 13.192 -9.837 -11.181 393 HB2 LEU 47 2HB LEU 47 13.415 -11.369 -9.337 394 HB3 LEU 47 1HB LEU 47 13.734 -12.225 -10.829 395 HD11 LEU 47 1HD1 LEU 47 12.741 -11.420 -12.979 396 HD12 LEU 47 2HD1 LEU 47 11.553 -10.118 -12.966 397 HD13 LEU 47 3HD1 LEU 47 11.123 -11.708 -12.337 398 HD21 LEU 47 3HD2 LEU 47 11.658 -9.500 -9.329 399 HD22 LEU 47 1HD2 LEU 47 10.476 -10.572 -10.082 400 HD23 LEU 47 2HD2 LEU 47 10.894 -9.041 -10.851 401 H GLU 48 H GLU 48 9.724 -13.904 -10.460 402 HA GLU 48 HA GLU 48 10.673 -15.935 -12.222 403 HB2 GLU 48 2HB GLU 48 8.241 -16.322 -12.689 404 HB3 GLU 48 1HB GLU 48 8.680 -16.370 -10.989 405 HG2 GLU 48 2HG GLU 48 7.831 -14.070 -10.724 406 HG3 GLU 48 1HG GLU 48 7.336 -14.076 -12.416 Start of MODEL 10 1 HA MET 1 HA MET 1 1.397 -14.708 4.091 2 H1 MET 1 1H MET 1 0.084 -16.122 5.535 3 H2 MET 1 2H MET 1 -1.344 -15.447 4.943 4 H3 MET 1 3H MET 1 -0.264 -14.490 5.823 5 HB2 MET 1 2HB MET 1 -0.768 -16.075 2.473 6 HB3 MET 1 1HB MET 1 0.912 -15.826 2.017 7 HG2 MET 1 2HG MET 1 0.489 -18.139 2.612 8 HG3 MET 1 1HG MET 1 1.622 -17.394 3.742 9 HE1 MET 1 3HE MET 1 -0.609 -20.011 5.807 10 HE2 MET 1 1HE MET 1 1.032 -19.645 5.271 11 HE3 MET 1 2HE MET 1 -0.191 -20.134 4.097 12 H ILE 2 H ILE 2 1.459 -13.129 2.375 13 HA ILE 2 HA ILE 2 -0.725 -11.233 2.474 14 HB ILE 2 HB ILE 2 1.514 -10.326 2.429 15 HG12 ILE 2 2HG1 ILE 2 0.102 -9.763 -0.198 16 HG13 ILE 2 1HG1 ILE 2 -0.317 -9.043 1.352 17 HG21 ILE 2 1HG2 ILE 2 3.005 -10.547 0.500 18 HG22 ILE 2 2HG2 ILE 2 1.852 -11.634 -0.275 19 HG23 ILE 2 3HG2 ILE 2 2.654 -12.119 1.220 20 HD11 ILE 2 3HD1 ILE 2 2.272 -8.680 -0.137 21 HD12 ILE 2 1HD1 ILE 2 1.888 -7.984 1.438 22 HD13 ILE 2 2HD1 ILE 2 0.965 -7.505 0.017 23 H SER 3 H SER 3 -2.488 -11.472 1.276 24 HA SER 3 HA SER 3 -2.807 -13.232 -0.895 25 HG SER 3 HG SER 3 -5.523 -12.910 0.799 26 HB2 SER 3 2HB SER 3 -4.509 -10.774 -0.406 27 HB3 SER 3 1HB SER 3 -5.000 -12.302 -1.136 28 H ASN 4 H ASN 4 -2.818 -12.936 -3.133 29 HA ASN 4 HA ASN 4 -1.100 -11.116 -4.310 30 HB2 ASN 4 2HB ASN 4 -2.295 -11.672 -6.477 31 HB3 ASN 4 1HB ASN 4 -1.685 -13.040 -5.555 32 HD21 ASN 4 1HD2 ASN 4 -3.105 -14.441 -6.541 33 HD22 ASN 4 2HD2 ASN 4 -4.792 -14.461 -6.181 34 H ALA 5 H ALA 5 -4.579 -10.747 -3.776 35 HA ALA 5 HA ALA 5 -5.002 -8.350 -5.156 36 HB1 ALA 5 3HB ALA 5 -6.943 -8.038 -3.714 37 HB2 ALA 5 1HB ALA 5 -6.314 -9.234 -2.579 38 HB3 ALA 5 2HB ALA 5 -6.804 -9.729 -4.199 39 H LYS 6 H LYS 6 -3.725 -8.918 -1.905 40 HA LYS 6 HA LYS 6 -3.567 -6.183 -1.133 41 HB2 LYS 6 2HB LYS 6 -2.006 -8.571 -0.121 42 HB3 LYS 6 1HB LYS 6 -2.048 -6.987 0.647 43 HG2 LYS 6 2HG LYS 6 -4.483 -7.241 0.963 44 HG3 LYS 6 1HG LYS 6 -4.379 -8.861 0.272 45 HD2 LYS 6 2HD LYS 6 -2.889 -9.556 2.076 46 HD3 LYS 6 1HD LYS 6 -2.929 -7.925 2.754 47 HE2 LYS 6 2HE LYS 6 -4.437 -9.338 3.993 48 HE3 LYS 6 1HE LYS 6 -5.376 -8.163 3.075 49 HZ1 LYS 6 3HZ LYS 6 -6.378 -10.324 2.899 50 HZ2 LYS 6 1HZ LYS 6 -4.929 -11.013 2.357 51 HZ3 LYS 6 2HZ LYS 6 -5.751 -9.894 1.392 52 H ILE 7 H ILE 7 -1.277 -8.424 -2.659 53 HA ILE 7 HA ILE 7 0.976 -6.754 -2.751 54 HB ILE 7 HB ILE 7 0.095 -8.810 -4.797 55 HG12 ILE 7 2HG1 ILE 7 1.929 -9.076 -2.394 56 HG13 ILE 7 1HG1 ILE 7 0.295 -9.720 -2.512 57 HG21 ILE 7 1HG2 ILE 7 2.476 -8.930 -5.415 58 HG22 ILE 7 2HG2 ILE 7 2.822 -7.602 -4.310 59 HG23 ILE 7 3HG2 ILE 7 1.798 -7.330 -5.719 60 HD11 ILE 7 3HD1 ILE 7 2.657 -10.554 -4.183 61 HD12 ILE 7 1HD1 ILE 7 1.019 -11.193 -4.328 62 HD13 ILE 7 2HD1 ILE 7 1.942 -11.458 -2.847 63 H ALA 8 H ALA 8 -1.641 -7.157 -5.148 64 HA ALA 8 HA ALA 8 -0.823 -5.129 -6.927 65 HB1 ALA 8 3HB ALA 8 -2.500 -6.839 -7.489 66 HB2 ALA 8 1HB ALA 8 -3.098 -5.209 -7.795 67 HB3 ALA 8 2HB ALA 8 -3.632 -6.091 -6.363 68 H ARG 9 H ARG 9 -2.794 -5.036 -3.999 69 HA ARG 9 HA ARG 9 -3.659 -2.358 -4.168 70 HE ARG 9 HE ARG 9 -5.374 0.027 -0.763 71 HB2 ARG 9 2HB ARG 9 -4.601 -4.046 -2.596 72 HB3 ARG 9 1HB ARG 9 -3.110 -3.980 -1.667 73 HG2 ARG 9 2HG ARG 9 -4.801 -2.652 -0.579 74 HG3 ARG 9 1HG ARG 9 -3.531 -1.592 -1.197 75 HD2 ARG 9 2HD ARG 9 -4.930 -1.070 -3.146 76 HD3 ARG 9 1HD ARG 9 -6.191 -2.131 -2.521 77 HH11 ARG 9 1HH1 ARG 9 -7.630 -1.113 -3.108 78 HH12 ARG 9 2HH1 ARG 9 -8.803 0.089 -2.709 79 HH21 ARG 9 1HH2 ARG 9 -6.888 1.560 -0.268 80 HH22 ARG 9 2HH2 ARG 9 -8.389 1.584 -1.129 81 H ILE 10 H ILE 10 -0.749 -3.798 -2.695 82 HA ILE 10 HA ILE 10 0.366 -1.475 -1.598 83 HB ILE 10 HB ILE 10 1.776 -3.897 -2.747 84 HG12 ILE 10 2HG1 ILE 10 1.054 -3.167 0.111 85 HG13 ILE 10 1HG1 ILE 10 0.262 -4.402 -0.865 86 HG21 ILE 10 1HG2 ILE 10 3.726 -3.186 -1.409 87 HG22 ILE 10 2HG2 ILE 10 2.880 -1.694 -0.992 88 HG23 ILE 10 3HG2 ILE 10 3.319 -2.020 -2.668 89 HD11 ILE 10 3HD1 ILE 10 3.125 -4.435 0.062 90 HD12 ILE 10 1HD1 ILE 10 2.357 -5.665 -0.943 91 HD13 ILE 10 2HD1 ILE 10 1.798 -5.401 0.708 92 H ASN 11 H ASN 11 0.805 -2.891 -4.844 93 HA ASN 11 HA ASN 11 2.545 -0.951 -5.880 94 HB2 ASN 11 2HB ASN 11 0.437 -2.583 -7.324 95 HB3 ASN 11 1HB ASN 11 1.738 -1.693 -8.112 96 HD21 ASN 11 1HD2 ASN 11 1.127 -4.563 -8.086 97 HD22 ASN 11 2HD2 ASN 11 2.562 -5.329 -7.507 98 H GLU 12 H GLU 12 -0.993 -1.027 -5.799 99 HA GLU 12 HA GLU 12 -1.479 1.355 -7.230 100 HB2 GLU 12 2HB GLU 12 -3.255 -0.226 -6.887 101 HB3 GLU 12 1HB GLU 12 -3.085 -0.132 -5.141 102 HG2 GLU 12 2HG GLU 12 -5.070 1.039 -5.888 103 HG3 GLU 12 1HG GLU 12 -3.918 2.156 -5.164 104 H LEU 13 H LEU 13 -1.323 0.788 -3.704 105 HA LEU 13 HA LEU 13 -1.738 3.482 -2.956 106 HG LEU 13 HG LEU 13 -2.700 0.677 -1.947 107 HB2 LEU 13 2HB LEU 13 -0.358 1.262 -1.441 108 HB3 LEU 13 1HB LEU 13 -0.889 2.781 -0.742 109 HD11 LEU 13 1HD1 LEU 13 -2.250 1.444 0.936 110 HD12 LEU 13 2HD1 LEU 13 -1.718 -0.050 0.163 111 HD13 LEU 13 3HD1 LEU 13 -3.441 0.285 0.344 112 HD21 LEU 13 3HD2 LEU 13 -3.623 2.905 -2.249 113 HD22 LEU 13 1HD2 LEU 13 -3.369 3.266 -0.540 114 HD23 LEU 13 2HD2 LEU 13 -4.529 2.027 -1.020 115 H ALA 14 H ALA 14 1.254 1.597 -3.363 116 HA ALA 14 HA ALA 14 3.106 3.574 -2.680 117 HB1 ALA 14 3HB ALA 14 4.728 2.293 -3.990 118 HB2 ALA 14 1HB ALA 14 3.415 1.387 -4.746 119 HB3 ALA 14 2HB ALA 14 3.718 1.223 -3.017 120 H ALA 15 H ALA 15 1.534 2.870 -5.788 121 HA ALA 15 HA ALA 15 2.768 4.874 -7.330 122 HB1 ALA 15 3HB ALA 15 -0.028 3.752 -7.588 123 HB2 ALA 15 1HB ALA 15 1.430 3.087 -8.327 124 HB3 ALA 15 2HB ALA 15 0.831 4.669 -8.827 125 H LYS 16 H LYS 16 -0.169 4.968 -5.304 126 HA LYS 16 HA LYS 16 -0.876 7.650 -5.744 127 HB2 LYS 16 2HB LYS 16 -1.184 6.065 -3.183 128 HB3 LYS 16 1HB LYS 16 -2.035 7.550 -3.576 129 HG2 LYS 16 2HG LYS 16 -3.090 6.364 -5.498 130 HG3 LYS 16 1HG LYS 16 -2.328 4.875 -4.932 131 HD2 LYS 16 2HD LYS 16 -3.480 5.275 -2.709 132 HD3 LYS 16 1HD LYS 16 -4.389 6.561 -3.504 133 HE2 LYS 16 2HE LYS 16 -4.378 3.641 -4.246 134 HE3 LYS 16 1HE LYS 16 -5.685 4.509 -3.448 135 HZ1 LYS 16 3HZ LYS 16 -5.901 5.881 -5.439 136 HZ2 LYS 16 1HZ LYS 16 -6.143 4.245 -5.781 137 HZ3 LYS 16 2HZ LYS 16 -4.685 4.985 -6.204 138 H ALA 17 H ALA 17 1.472 6.211 -3.535 139 HA ALA 17 HA ALA 17 2.212 8.585 -2.170 140 HB1 ALA 17 3HB ALA 17 4.198 7.342 -1.472 141 HB2 ALA 17 1HB ALA 17 3.858 6.101 -2.678 142 HB3 ALA 17 2HB ALA 17 2.752 6.344 -1.328 143 H LYS 18 H LYS 18 3.561 6.966 -5.029 144 HA LYS 18 HA LYS 18 5.606 8.839 -5.578 145 HB2 LYS 18 2HB LYS 18 4.096 7.043 -7.496 146 HB3 LYS 18 1HB LYS 18 5.619 7.852 -7.843 147 HG2 LYS 18 2HG LYS 18 6.744 6.552 -6.137 148 HG3 LYS 18 1HG LYS 18 5.220 5.798 -5.669 149 HD2 LYS 18 2HD LYS 18 6.509 4.288 -7.072 150 HD3 LYS 18 1HD LYS 18 5.043 4.793 -7.912 151 HE2 LYS 18 2HE LYS 18 6.969 4.805 -9.414 152 HE3 LYS 18 1HE LYS 18 6.336 6.435 -9.190 153 HZ1 LYS 18 3HZ LYS 18 8.663 5.329 -7.716 154 HZ2 LYS 18 1HZ LYS 18 8.109 6.925 -7.677 155 HZ3 LYS 18 2HZ LYS 18 8.780 6.296 -9.095 156 H ALA 19 H ALA 19 2.186 8.826 -6.266 157 HA ALA 19 HA ALA 19 2.307 11.170 -7.979 158 HB1 ALA 19 3HB ALA 19 -0.136 11.009 -8.010 159 HB2 ALA 19 1HB ALA 19 -0.075 9.743 -6.782 160 HB3 ALA 19 2HB ALA 19 0.613 9.454 -8.382 161 H GLY 20 H GLY 20 1.800 10.453 -4.601 162 HA2 GLY 20 2HA GLY 20 2.054 12.008 -2.850 163 HA3 GLY 20 1HA GLY 20 1.744 13.315 -3.979 164 H VAL 21 H VAL 21 -0.540 10.837 -4.326 165 HA VAL 21 HA VAL 21 -2.561 12.560 -3.074 166 HB VAL 21 HB VAL 21 -4.216 11.378 -4.392 167 HG11 VAL 21 1HG1 VAL 21 -3.052 13.210 -5.489 168 HG12 VAL 21 2HG1 VAL 21 -3.448 11.952 -6.658 169 HG13 VAL 21 3HG1 VAL 21 -1.797 12.103 -6.055 170 HG21 VAL 21 3HG2 VAL 21 -3.586 9.585 -5.972 171 HG22 VAL 21 1HG2 VAL 21 -3.312 9.113 -4.294 172 HG23 VAL 21 2HG2 VAL 21 -1.950 9.591 -5.310 173 H ILE 22 H ILE 22 -0.802 9.995 -2.032 174 HA ILE 22 HA ILE 22 -2.880 8.280 -1.038 175 HB ILE 22 HB ILE 22 -0.645 7.417 -1.631 176 HG12 ILE 22 2HG1 ILE 22 -1.326 6.975 1.292 177 HG13 ILE 22 1HG1 ILE 22 -2.140 6.191 -0.057 178 HG21 ILE 22 1HG2 ILE 22 0.306 8.880 0.836 179 HG22 ILE 22 2HG2 ILE 22 0.730 9.261 -0.833 180 HG23 ILE 22 3HG2 ILE 22 1.259 7.741 -0.117 181 HD11 ILE 22 3HD1 ILE 22 -0.498 4.730 0.984 182 HD12 ILE 22 1HD1 ILE 22 0.775 5.901 0.641 183 HD13 ILE 22 2HD1 ILE 22 -0.061 5.093 -0.685 184 H THR 23 H THR 23 -4.042 8.506 0.771 185 HA THR 23 HA THR 23 -3.478 10.634 2.642 186 HB THR 23 HB THR 23 -5.503 9.835 3.856 187 HG1 THR 23 HG1 THR 23 -6.757 8.182 2.712 188 HG21 THR 23 3HG2 THR 23 -7.118 10.425 2.097 189 HG22 THR 23 1HG2 THR 23 -5.855 10.238 0.880 190 HG23 THR 23 2HG2 THR 23 -5.725 11.506 2.102 191 H GLU 24 H GLU 24 -3.384 10.320 4.963 192 HA GLU 24 HA GLU 24 -1.369 8.625 5.834 193 HB2 GLU 24 2HB GLU 24 -3.591 9.855 7.483 194 HB3 GLU 24 1HB GLU 24 -2.061 9.253 8.109 195 HG2 GLU 24 2HG GLU 24 -2.327 11.515 6.137 196 HG3 GLU 24 1HG GLU 24 -2.157 11.718 7.876 197 H GLU 25 H GLU 25 -4.846 8.093 5.766 198 HA GLU 25 HA GLU 25 -4.884 5.689 7.268 199 HB2 GLU 25 2HB GLU 25 -6.881 7.087 6.784 200 HB3 GLU 25 1HB GLU 25 -6.794 6.595 5.098 201 HG2 GLU 25 2HG GLU 25 -7.210 4.286 5.724 202 HG3 GLU 25 1HG GLU 25 -7.229 4.736 7.431 203 H GLU 26 H GLU 26 -4.835 6.260 3.719 204 HA GLU 26 HA GLU 26 -4.607 3.563 2.950 205 HB2 GLU 26 2HB GLU 26 -3.488 6.007 1.549 206 HB3 GLU 26 1HB GLU 26 -3.687 4.420 0.821 207 HG2 GLU 26 2HG GLU 26 -5.871 6.269 1.765 208 HG3 GLU 26 1HG GLU 26 -5.459 5.868 0.099 209 H LYS 27 H LYS 27 -2.143 5.943 3.831 210 HA LYS 27 HA LYS 27 0.147 4.386 3.339 211 HB2 LYS 27 2HB LYS 27 -0.349 6.591 5.352 212 HB3 LYS 27 1HB LYS 27 1.234 5.881 5.060 213 HG2 LYS 27 2HG LYS 27 1.255 6.681 2.801 214 HG3 LYS 27 1HG LYS 27 -0.426 7.201 2.919 215 HD2 LYS 27 2HD LYS 27 1.157 9.086 3.094 216 HD3 LYS 27 1HD LYS 27 0.168 8.900 4.543 217 HE2 LYS 27 2HE LYS 27 2.029 7.762 5.664 218 HE3 LYS 27 1HE LYS 27 3.015 7.938 4.213 219 HZ1 LYS 27 3HZ LYS 27 3.002 10.291 4.460 220 HZ2 LYS 27 1HZ LYS 27 3.439 9.629 5.952 221 HZ3 LYS 27 2HZ LYS 27 1.873 10.225 5.718 222 H ALA 28 H ALA 28 -1.925 4.623 6.205 223 HA ALA 28 HA ALA 28 -0.421 2.958 7.914 224 HB1 ALA 28 3HB ALA 28 -2.208 4.419 8.718 225 HB2 ALA 28 1HB ALA 28 -2.485 2.750 9.216 226 HB3 ALA 28 2HB ALA 28 -3.404 3.434 7.875 227 H GLU 29 H GLU 29 -3.205 2.196 5.803 228 HA GLU 29 HA GLU 29 -3.217 -0.587 6.214 229 HB2 GLU 29 2HB GLU 29 -5.055 0.687 5.126 230 HB3 GLU 29 1HB GLU 29 -4.034 0.932 3.718 231 HG2 GLU 29 2HG GLU 29 -5.578 -0.831 3.244 232 HG3 GLU 29 1HG GLU 29 -3.970 -1.535 3.394 233 H GLN 30 H GLN 30 -1.495 1.411 3.840 234 HA GLN 30 HA GLN 30 -0.247 -0.646 2.399 235 HB2 GLN 30 2HB GLN 30 -0.263 1.633 1.574 236 HB3 GLN 30 1HB GLN 30 0.669 2.185 2.957 237 HG2 GLN 30 2HG GLN 30 2.607 0.983 2.209 238 HG3 GLN 30 1HG GLN 30 1.689 0.222 0.913 239 HE21 GLN 30 1HE2 GLN 30 3.120 3.217 2.025 240 HE22 GLN 30 2HE2 GLN 30 3.105 3.998 0.490 241 H GLN 31 H GLN 31 0.758 1.002 5.386 242 HA GLN 31 HA GLN 31 3.262 -0.261 5.694 243 HB2 GLN 31 2HB GLN 31 2.505 1.673 7.054 244 HB3 GLN 31 1HB GLN 31 1.336 0.636 7.859 245 HG2 GLN 31 2HG GLN 31 3.171 -0.727 8.756 246 HG3 GLN 31 1HG GLN 31 4.337 0.331 7.962 247 HE21 GLN 31 1HE2 GLN 31 2.072 0.013 10.575 248 HE22 GLN 31 2HE2 GLN 31 2.602 1.402 11.458 249 H LYS 32 H LYS 32 0.083 -1.100 7.048 250 HA LYS 32 HA LYS 32 0.578 -3.523 8.252 251 HB2 LYS 32 2HB LYS 32 -1.567 -2.550 8.467 252 HB3 LYS 32 1HB LYS 32 -1.791 -2.454 6.728 253 HG2 LYS 32 2HG LYS 32 -1.864 -4.987 6.721 254 HG3 LYS 32 1HG LYS 32 -1.945 -4.893 8.485 255 HD2 LYS 32 2HD LYS 32 -4.000 -3.705 8.420 256 HD3 LYS 32 1HD LYS 32 -3.852 -3.404 6.689 257 HE2 LYS 32 2HE LYS 32 -3.995 -5.910 6.370 258 HE3 LYS 32 1HE LYS 32 -4.441 -6.014 8.074 259 HZ1 LYS 32 3HZ LYS 32 -6.377 -5.961 6.603 260 HZ2 LYS 32 1HZ LYS 32 -5.902 -4.444 6.017 261 HZ3 LYS 32 2HZ LYS 32 -6.351 -4.620 7.638 262 H LEU 33 H LEU 33 -0.489 -3.125 4.855 263 HA LEU 33 HA LEU 33 -0.284 -5.802 4.087 264 HG LEU 33 HG LEU 33 -2.060 -3.201 3.401 265 HB2 LEU 33 2HB LEU 33 0.141 -3.354 2.360 266 HB3 LEU 33 1HB LEU 33 -0.220 -4.970 1.777 267 HD11 LEU 33 1HD1 LEU 33 -3.436 -3.178 1.382 268 HD12 LEU 33 2HD1 LEU 33 -2.217 -4.131 0.534 269 HD13 LEU 33 3HD1 LEU 33 -1.835 -2.497 1.083 270 HD21 LEU 33 3HD2 LEU 33 -3.741 -4.957 3.078 271 HD22 LEU 33 1HD2 LEU 33 -2.369 -5.534 4.026 272 HD23 LEU 33 2HD2 LEU 33 -2.520 -5.986 2.328 273 H ARG 34 H ARG 34 2.178 -3.247 4.067 274 HA ARG 34 HA ARG 34 4.165 -4.826 2.776 275 HE ARG 34 HE ARG 34 3.846 -0.310 3.755 276 HB2 ARG 34 2HB ARG 34 4.303 -2.269 4.356 277 HB3 ARG 34 1HB ARG 34 5.751 -3.051 3.728 278 HG2 ARG 34 2HG ARG 34 4.902 -2.866 1.459 279 HG3 ARG 34 1HG ARG 34 3.404 -2.154 2.056 280 HD2 ARG 34 2HD ARG 34 6.160 -0.953 2.373 281 HD3 ARG 34 1HD ARG 34 4.963 -0.460 1.172 282 HH11 ARG 34 1HH1 ARG 34 6.082 1.328 1.696 283 HH12 ARG 34 2HH1 ARG 34 5.858 2.846 2.497 284 HH21 ARG 34 1HH2 ARG 34 3.555 1.658 4.743 285 HH22 ARG 34 2HH2 ARG 34 4.461 3.026 4.204 286 H GLN 35 H GLN 35 3.146 -4.574 6.123 287 HA GLN 35 HA GLN 35 5.378 -5.852 7.311 288 HB2 GLN 35 2HB GLN 35 2.462 -6.050 8.128 289 HB3 GLN 35 1HB GLN 35 3.837 -6.498 9.127 290 HG2 GLN 35 2HG GLN 35 3.226 -3.722 8.128 291 HG3 GLN 35 1HG GLN 35 2.914 -4.323 9.753 292 HE21 GLN 35 1HE2 GLN 35 5.370 -3.341 7.490 293 HE22 GLN 35 2HE2 GLN 35 6.648 -3.182 8.644 294 H GLU 36 H GLU 36 2.335 -7.179 6.003 295 HA GLU 36 HA GLU 36 3.023 -9.912 6.138 296 HB2 GLU 36 2HB GLU 36 1.202 -8.406 4.250 297 HB3 GLU 36 1HB GLU 36 1.357 -10.157 4.232 298 HG2 GLU 36 2HG GLU 36 0.404 -8.493 6.558 299 HG3 GLU 36 1HG GLU 36 -0.614 -9.431 5.467 300 H TYR 37 H TYR 37 3.572 -7.493 3.623 301 HA TYR 37 HA TYR 37 4.677 -9.158 1.651 302 HD1 TYR 37 HD2 TYR 37 7.551 -6.303 1.195 303 HD2 TYR 37 HD1 TYR 37 4.151 -7.691 -0.971 304 HE1 TYR 37 HE2 TYR 37 8.858 -6.250 -0.887 305 HE2 TYR 37 HE1 TYR 37 5.453 -7.636 -3.056 306 HH TYR 37 HH TYR 37 7.441 -6.527 -3.968 307 HB2 TYR 37 2HB TYR 37 3.915 -6.821 1.288 308 HB3 TYR 37 1HB TYR 37 5.308 -6.243 2.192 309 H LEU 38 H LEU 38 6.182 -7.552 4.417 310 HA LEU 38 HA LEU 38 8.857 -8.261 3.596 311 HG LEU 38 HG LEU 38 7.752 -5.471 4.214 312 HB2 LEU 38 2HB LEU 38 7.798 -7.018 6.130 313 HB3 LEU 38 1HB LEU 38 9.498 -7.331 5.842 314 HD11 LEU 38 1HD1 LEU 38 9.068 -3.681 5.208 315 HD12 LEU 38 2HD1 LEU 38 9.960 -4.853 6.179 316 HD13 LEU 38 3HD1 LEU 38 8.235 -4.610 6.452 317 HD21 LEU 38 3HD2 LEU 38 10.721 -6.018 4.024 318 HD22 LEU 38 1HD2 LEU 38 9.830 -4.797 3.114 319 HD23 LEU 38 2HD2 LEU 38 9.500 -6.507 2.848 320 H LYS 39 H LYS 39 7.357 -8.926 6.789 321 HA LYS 39 HA LYS 39 7.729 -10.632 8.268 322 HB2 LYS 39 2HB LYS 39 7.411 -12.212 5.702 323 HB3 LYS 39 1HB LYS 39 7.422 -12.938 7.305 324 HG2 LYS 39 2HG LYS 39 5.439 -10.871 6.358 325 HG3 LYS 39 1HG LYS 39 5.152 -12.613 6.410 326 HD2 LYS 39 2HD LYS 39 5.410 -12.626 8.819 327 HD3 LYS 39 1HD LYS 39 5.855 -10.919 8.814 328 HE2 LYS 39 2HE LYS 39 3.547 -11.181 9.507 329 HE3 LYS 39 1HE LYS 39 3.626 -10.349 7.958 330 HZ1 LYS 39 3HZ LYS 39 3.117 -12.481 6.874 331 HZ2 LYS 39 1HZ LYS 39 1.887 -11.976 7.918 332 HZ3 LYS 39 2HZ LYS 39 2.944 -13.206 8.389 333 H GLY 40 H GLY 40 10.115 -9.395 7.384 334 HA2 GLY 40 2HA GLY 40 12.348 -9.935 8.033 335 HA3 GLY 40 1HA GLY 40 12.026 -11.621 7.672 336 H PHE 41 H PHE 41 10.800 -9.820 5.166 337 HA PHE 41 HA PHE 41 12.528 -10.689 3.185 338 HD1 PHE 41 HD2 PHE 41 11.280 -11.005 0.816 339 HD2 PHE 41 HD1 PHE 41 11.682 -6.814 1.460 340 HE1 PHE 41 HE2 PHE 41 11.804 -10.692 -1.565 341 HE2 PHE 41 HE1 PHE 41 12.203 -6.497 -0.921 342 HZ PHE 41 HZ PHE 41 12.266 -8.435 -2.438 343 HB2 PHE 41 2HB PHE 41 10.251 -9.773 2.822 344 HB3 PHE 41 1HB PHE 41 10.855 -8.162 3.176 345 H ARG 42 H ARG 42 12.498 -7.457 4.708 346 HA ARG 42 HA ARG 42 15.319 -7.314 4.880 347 HE ARG 42 HE ARG 42 14.748 -6.820 0.567 348 HB2 ARG 42 2HB ARG 42 15.719 -5.423 3.333 349 HB3 ARG 42 1HB ARG 42 15.261 -6.898 2.496 350 HG2 ARG 42 2HG ARG 42 12.956 -6.027 2.277 351 HG3 ARG 42 1HG ARG 42 13.481 -4.524 3.040 352 HD2 ARG 42 2HD ARG 42 13.414 -4.394 0.561 353 HD3 ARG 42 1HD ARG 42 15.016 -4.082 1.229 354 HH11 ARG 42 1HH1 ARG 42 15.129 -3.731 -0.929 355 HH12 ARG 42 2HH1 ARG 42 15.957 -4.383 -2.296 356 HH21 ARG 42 1HH2 ARG 42 15.825 -7.629 -1.175 357 HH22 ARG 42 2HH2 ARG 42 16.358 -6.568 -2.431 358 H SER 43 H SER 43 16.045 -5.475 6.031 359 HA SER 43 HA SER 43 13.983 -3.618 7.003 360 HG SER 43 HG SER 43 16.688 -4.935 9.432 361 HB2 SER 43 2HB SER 43 14.857 -3.896 9.339 362 HB3 SER 43 1HB SER 43 14.065 -5.340 8.708 363 H SER 44 H SER 44 15.283 -2.386 5.342 364 HA SER 44 HA SER 44 17.954 -1.568 6.053 365 HG SER 44 HG SER 44 15.863 0.501 3.392 366 HB2 SER 44 2HB SER 44 17.755 -0.024 4.122 367 HB3 SER 44 1HB SER 44 17.314 -1.677 3.696 368 H MET 45 H MET 45 18.599 0.628 6.493 369 HA MET 45 HA MET 45 18.566 2.552 7.683 370 HB2 MET 45 2HB MET 45 15.637 2.584 6.922 371 HB3 MET 45 1HB MET 45 16.489 3.934 7.659 372 HG2 MET 45 2HG MET 45 17.959 4.091 5.724 373 HG3 MET 45 1HG MET 45 17.167 2.696 4.994 374 HE1 MET 45 3HE MET 45 16.773 6.435 6.113 375 HE2 MET 45 1HE MET 45 15.472 5.645 7.008 376 HE3 MET 45 2HE MET 45 15.090 6.764 5.699 377 H LYS 46 H LYS 46 17.410 -0.182 8.833 378 HA LYS 46 HA LYS 46 15.988 0.579 11.181 379 HB2 LYS 46 2HB LYS 46 15.879 -1.707 10.386 380 HB3 LYS 46 1HB LYS 46 17.621 -1.885 10.519 381 HG2 LYS 46 2HG LYS 46 17.417 -1.617 12.979 382 HG3 LYS 46 1HG LYS 46 15.663 -1.574 12.791 383 HD2 LYS 46 2HD LYS 46 15.649 -3.817 11.896 384 HD3 LYS 46 1HD LYS 46 17.411 -3.863 11.869 385 HE2 LYS 46 2HE LYS 46 17.416 -3.653 14.339 386 HE3 LYS 46 1HE LYS 46 15.654 -3.704 14.320 387 HZ1 LYS 46 3HZ LYS 46 17.361 -5.861 13.223 388 HZ2 LYS 46 1HZ LYS 46 15.695 -5.911 13.499 389 HZ3 LYS 46 2HZ LYS 46 16.772 -5.860 14.806 390 H LEU 47 H LEU 47 16.835 1.921 12.652 391 HA LEU 47 HA LEU 47 18.218 2.829 14.211 392 HG LEU 47 HG LEU 47 21.409 2.296 14.524 393 HB2 LEU 47 2HB LEU 47 18.917 0.617 14.892 394 HB3 LEU 47 1HB LEU 47 20.026 0.503 13.543 395 HD11 LEU 47 1HD1 LEU 47 21.000 3.054 16.813 396 HD12 LEU 47 2HD1 LEU 47 19.484 2.155 16.843 397 HD13 LEU 47 3HD1 LEU 47 19.685 3.511 15.734 398 HD21 LEU 47 3HD2 LEU 47 22.305 1.003 16.402 399 HD22 LEU 47 1HD2 LEU 47 21.951 -0.025 15.016 400 HD23 LEU 47 2HD2 LEU 47 20.858 -0.007 16.400 401 H GLU 48 H GLU 48 19.110 2.377 10.961 402 HA GLU 48 HA GLU 48 21.465 4.067 11.028 403 HB2 GLU 48 2HB GLU 48 19.946 2.932 8.665 404 HB3 GLU 48 1HB GLU 48 21.515 3.721 8.594 405 HG2 GLU 48 2HG GLU 48 22.498 1.932 9.930 406 HG3 GLU 48 1HG GLU 48 20.920 1.150 10.062 Start of MODEL 11 1 HA MET 1 HA MET 1 0.214 -14.413 4.835 2 H1 MET 1 1H MET 1 -0.527 -12.212 6.670 3 H2 MET 1 2H MET 1 1.014 -12.543 6.046 4 H3 MET 1 3H MET 1 0.288 -13.623 7.126 5 HB2 MET 1 2HB MET 1 -1.507 -15.080 6.485 6 HB3 MET 1 1HB MET 1 -2.501 -13.716 5.988 7 HG2 MET 1 2HG MET 1 -3.247 -15.809 4.976 8 HG3 MET 1 1HG MET 1 -2.720 -14.648 3.761 9 HE1 MET 1 3HE MET 1 -2.605 -16.577 1.942 10 HE2 MET 1 1HE MET 1 -3.150 -17.746 3.150 11 HE3 MET 1 2HE MET 1 -1.722 -18.085 2.170 12 H ILE 2 H ILE 2 0.815 -13.236 3.067 13 HA ILE 2 HA ILE 2 -1.051 -11.149 2.116 14 HB ILE 2 HB ILE 2 1.176 -10.272 2.598 15 HG12 ILE 2 2HG1 ILE 2 0.677 -10.397 -0.395 16 HG13 ILE 2 1HG1 ILE 2 -0.156 -9.322 0.721 17 HG21 ILE 2 1HG2 ILE 2 2.471 -12.322 2.262 18 HG22 ILE 2 2HG2 ILE 2 3.148 -10.975 1.348 19 HG23 ILE 2 3HG2 ILE 2 2.200 -12.211 0.521 20 HD11 ILE 2 3HD1 ILE 2 1.582 -8.142 -0.459 21 HD12 ILE 2 1HD1 ILE 2 2.787 -9.304 0.099 22 HD13 ILE 2 2HD1 ILE 2 1.979 -8.246 1.257 23 H SER 3 H SER 3 -1.821 -11.185 0.039 24 HA SER 3 HA SER 3 -0.996 -13.398 -1.725 25 HG SER 3 HG SER 3 -3.946 -14.726 -2.478 26 HB2 SER 3 2HB SER 3 -3.117 -14.042 -0.661 27 HB3 SER 3 1HB SER 3 -3.852 -12.533 -1.181 28 H ASN 4 H ASN 4 -2.294 -12.972 -3.962 29 HA ASN 4 HA ASN 4 -0.895 -10.905 -5.186 30 HB2 ASN 4 2HB ASN 4 -3.407 -12.296 -6.136 31 HB3 ASN 4 1HB ASN 4 -2.337 -11.334 -7.154 32 HD21 ASN 4 1HD2 ASN 4 -0.307 -12.141 -7.679 33 HD22 ASN 4 2HD2 ASN 4 0.105 -13.801 -7.454 34 H ALA 5 H ALA 5 -4.228 -10.876 -3.956 35 HA ALA 5 HA ALA 5 -5.016 -8.397 -5.022 36 HB1 ALA 5 3HB ALA 5 -6.760 -8.388 -3.330 37 HB2 ALA 5 1HB ALA 5 -5.916 -9.642 -2.420 38 HB3 ALA 5 2HB ALA 5 -6.580 -10.002 -4.013 39 H LYS 6 H LYS 6 -3.630 -9.121 -1.790 40 HA LYS 6 HA LYS 6 -3.435 -6.483 -0.889 41 HB2 LYS 6 2HB LYS 6 -1.667 -8.853 -0.254 42 HB3 LYS 6 1HB LYS 6 -1.578 -7.313 0.590 43 HG2 LYS 6 2HG LYS 6 -3.994 -7.625 1.211 44 HG3 LYS 6 1HG LYS 6 -3.874 -9.261 0.556 45 HD2 LYS 6 2HD LYS 6 -2.088 -9.777 2.158 46 HD3 LYS 6 1HD LYS 6 -2.175 -8.133 2.797 47 HE2 LYS 6 2HE LYS 6 -4.564 -8.580 3.410 48 HE3 LYS 6 1HE LYS 6 -4.320 -10.258 2.925 49 HZ1 LYS 6 3HZ LYS 6 -2.890 -8.834 5.106 50 HZ2 LYS 6 1HZ LYS 6 -2.567 -10.422 4.616 51 HZ3 LYS 6 2HZ LYS 6 -4.066 -10.034 5.291 52 H ILE 7 H ILE 7 -1.096 -8.395 -2.782 53 HA ILE 7 HA ILE 7 0.967 -6.492 -2.906 54 HB ILE 7 HB ILE 7 0.185 -8.540 -4.997 55 HG12 ILE 7 2HG1 ILE 7 2.235 -8.687 -2.764 56 HG13 ILE 7 1HG1 ILE 7 0.675 -9.500 -2.770 57 HG21 ILE 7 1HG2 ILE 7 2.506 -8.346 -5.796 58 HG22 ILE 7 2HG2 ILE 7 2.789 -7.037 -4.649 59 HG23 ILE 7 3HG2 ILE 7 1.630 -6.823 -5.962 60 HD11 ILE 7 3HD1 ILE 7 2.900 -10.011 -4.731 61 HD12 ILE 7 1HD1 ILE 7 1.360 -10.864 -4.643 62 HD13 ILE 7 2HD1 ILE 7 2.520 -11.002 -3.323 63 H ALA 8 H ALA 8 -1.765 -7.016 -5.159 64 HA ALA 8 HA ALA 8 -1.209 -4.936 -6.951 65 HB1 ALA 8 3HB ALA 8 -2.871 -6.684 -7.383 66 HB2 ALA 8 1HB ALA 8 -3.568 -5.076 -7.585 67 HB3 ALA 8 2HB ALA 8 -3.910 -6.009 -6.127 68 H ARG 9 H ARG 9 -3.033 -4.925 -3.916 69 HA ARG 9 HA ARG 9 -3.840 -2.226 -3.941 70 HE ARG 9 HE ARG 9 -5.497 -0.513 0.269 71 HB2 ARG 9 2HB ARG 9 -4.825 -3.856 -2.424 72 HB3 ARG 9 1HB ARG 9 -3.281 -4.091 -1.621 73 HG2 ARG 9 2HG ARG 9 -4.717 -2.729 -0.252 74 HG3 ARG 9 1HG ARG 9 -3.364 -1.760 -0.827 75 HD2 ARG 9 2HD ARG 9 -4.768 -0.719 -2.501 76 HD3 ARG 9 1HD ARG 9 -6.119 -1.768 -2.062 77 HH11 ARG 9 1HH1 ARG 9 -6.235 0.646 -2.902 78 HH12 ARG 9 2HH1 ARG 9 -6.969 2.088 -2.297 79 HH21 ARG 9 1HH2 ARG 9 -6.414 1.326 0.996 80 HH22 ARG 9 2HH2 ARG 9 -7.045 2.489 -0.120 81 H ILE 10 H ILE 10 -0.893 -3.767 -2.645 82 HA ILE 10 HA ILE 10 0.286 -1.480 -1.515 83 HB ILE 10 HB ILE 10 1.640 -3.895 -2.750 84 HG12 ILE 10 2HG1 ILE 10 0.985 -3.235 0.139 85 HG13 ILE 10 1HG1 ILE 10 0.148 -4.419 -0.854 86 HG21 ILE 10 1HG2 ILE 10 3.613 -3.239 -1.409 87 HG22 ILE 10 2HG2 ILE 10 2.794 -1.741 -0.965 88 HG23 ILE 10 3HG2 ILE 10 3.214 -2.052 -2.651 89 HD11 ILE 10 3HD1 ILE 10 2.218 -5.724 -1.016 90 HD12 ILE 10 1HD1 ILE 10 1.686 -5.506 0.652 91 HD13 ILE 10 2HD1 ILE 10 3.025 -4.546 0.023 92 H ASN 11 H ASN 11 0.702 -2.862 -4.779 93 HA ASN 11 HA ASN 11 2.423 -0.894 -5.800 94 HB2 ASN 11 2HB ASN 11 0.361 -2.576 -7.247 95 HB3 ASN 11 1HB ASN 11 1.632 -1.650 -8.037 96 HD21 ASN 11 1HD2 ASN 11 1.110 -4.520 -8.035 97 HD22 ASN 11 2HD2 ASN 11 2.554 -5.265 -7.452 98 H GLU 12 H GLU 12 -1.125 -1.021 -5.736 99 HA GLU 12 HA GLU 12 -1.661 1.328 -7.187 100 HB2 GLU 12 2HB GLU 12 -3.404 -0.296 -6.675 101 HB3 GLU 12 1HB GLU 12 -3.227 0.003 -4.951 102 HG2 GLU 12 2HG GLU 12 -4.043 2.290 -5.262 103 HG3 GLU 12 1HG GLU 12 -4.203 1.999 -6.992 104 H LEU 13 H LEU 13 -1.443 0.862 -3.645 105 HA LEU 13 HA LEU 13 -1.664 3.589 -2.954 106 HG LEU 13 HG LEU 13 -2.800 0.989 -1.759 107 HB2 LEU 13 2HB LEU 13 -0.367 1.291 -1.478 108 HB3 LEU 13 1HB LEU 13 -0.645 2.875 -0.777 109 HD11 LEU 13 1HD1 LEU 13 -1.723 0.192 0.288 110 HD12 LEU 13 2HD1 LEU 13 -3.372 0.728 0.600 111 HD13 LEU 13 3HD1 LEU 13 -2.011 1.753 1.055 112 HD21 LEU 13 3HD2 LEU 13 -3.004 3.668 -0.375 113 HD22 LEU 13 1HD2 LEU 13 -4.354 2.582 -0.716 114 HD23 LEU 13 2HD2 LEU 13 -3.451 3.311 -2.044 115 H ALA 14 H ALA 14 1.103 1.629 -3.870 116 HA ALA 14 HA ALA 14 3.155 3.442 -3.175 117 HB1 ALA 14 3HB ALA 14 3.119 1.416 -5.420 118 HB2 ALA 14 1HB ALA 14 3.585 1.093 -3.750 119 HB3 ALA 14 2HB ALA 14 4.552 2.188 -4.739 120 H ALA 15 H ALA 15 1.362 2.970 -6.225 121 HA ALA 15 HA ALA 15 2.546 5.053 -7.691 122 HB1 ALA 15 3HB ALA 15 -0.283 4.017 -7.929 123 HB2 ALA 15 1HB ALA 15 1.136 3.311 -8.703 124 HB3 ALA 15 2HB ALA 15 0.605 4.929 -9.149 125 H LYS 16 H LYS 16 -0.349 5.061 -5.610 126 HA LYS 16 HA LYS 16 -1.041 7.764 -5.863 127 HB2 LYS 16 2HB LYS 16 -1.335 5.872 -3.521 128 HB3 LYS 16 1HB LYS 16 -2.045 7.481 -3.559 129 HG2 LYS 16 2HG LYS 16 -3.403 6.873 -5.474 130 HG3 LYS 16 1HG LYS 16 -2.647 5.280 -5.531 131 HD2 LYS 16 2HD LYS 16 -3.585 4.691 -3.393 132 HD3 LYS 16 1HD LYS 16 -4.196 6.329 -3.162 133 HE2 LYS 16 2HE LYS 16 -5.075 4.470 -5.376 134 HE3 LYS 16 1HE LYS 16 -5.937 4.695 -3.856 135 HZ1 LYS 16 3HZ LYS 16 -5.396 6.818 -5.856 136 HZ2 LYS 16 1HZ LYS 16 -6.222 7.030 -4.396 137 HZ3 LYS 16 2HZ LYS 16 -6.881 6.052 -5.609 138 H ALA 17 H ALA 17 1.331 6.210 -3.746 139 HA ALA 17 HA ALA 17 2.082 8.510 -2.269 140 HB1 ALA 17 3HB ALA 17 3.707 6.037 -2.894 141 HB2 ALA 17 1HB ALA 17 2.600 6.229 -1.534 142 HB3 ALA 17 2HB ALA 17 4.057 7.216 -1.629 143 H LYS 18 H LYS 18 3.311 7.097 -5.283 144 HA LYS 18 HA LYS 18 5.451 8.884 -5.717 145 HB2 LYS 18 2HB LYS 18 3.725 7.443 -7.754 146 HB3 LYS 18 1HB LYS 18 5.284 8.191 -8.088 147 HG2 LYS 18 2HG LYS 18 6.424 6.593 -6.715 148 HG3 LYS 18 1HG LYS 18 4.896 5.948 -6.110 149 HD2 LYS 18 2HD LYS 18 5.656 4.402 -7.735 150 HD3 LYS 18 1HD LYS 18 4.357 5.309 -8.501 151 HE2 LYS 18 2HE LYS 18 7.320 5.756 -8.896 152 HE3 LYS 18 1HE LYS 18 6.224 4.974 -10.031 153 HZ1 LYS 18 3HZ LYS 18 6.566 7.201 -10.729 154 HZ2 LYS 18 1HZ LYS 18 6.206 7.821 -9.201 155 HZ3 LYS 18 2HZ LYS 18 4.988 7.108 -10.134 156 H ALA 19 H ALA 19 2.042 9.037 -6.674 157 HA ALA 19 HA ALA 19 2.285 11.532 -8.069 158 HB1 ALA 19 3HB ALA 19 -0.170 10.085 -7.072 159 HB2 ALA 19 1HB ALA 19 0.564 9.910 -8.664 160 HB3 ALA 19 2HB ALA 19 -0.165 11.446 -8.194 161 H GLY 20 H GLY 20 1.860 10.644 -4.763 162 HA2 GLY 20 2HA GLY 20 1.914 12.001 -2.881 163 HA3 GLY 20 1HA GLY 20 1.888 13.410 -3.928 164 H VAL 21 H VAL 21 -0.528 10.878 -4.129 165 HA VAL 21 HA VAL 21 -2.557 12.817 -3.183 166 HB VAL 21 HB VAL 21 -4.184 11.631 -4.584 167 HG11 VAL 21 1HG1 VAL 21 -2.947 13.511 -5.548 168 HG12 VAL 21 2HG1 VAL 21 -3.333 12.305 -6.775 169 HG13 VAL 21 3HG1 VAL 21 -1.699 12.404 -6.118 170 HG21 VAL 21 3HG2 VAL 21 -3.445 9.902 -6.181 171 HG22 VAL 21 1HG2 VAL 21 -3.247 9.386 -4.508 172 HG23 VAL 21 2HG2 VAL 21 -1.843 9.912 -5.439 173 H ILE 22 H ILE 22 -0.978 10.188 -2.065 174 HA ILE 22 HA ILE 22 -3.210 8.629 -1.075 175 HB ILE 22 HB ILE 22 -1.115 7.543 -1.771 176 HG12 ILE 22 2HG1 ILE 22 -1.666 7.191 1.191 177 HG13 ILE 22 1HG1 ILE 22 -2.590 6.450 -0.111 178 HG21 ILE 22 1HG2 ILE 22 0.127 8.922 0.610 179 HG22 ILE 22 2HG2 ILE 22 0.468 9.259 -1.087 180 HG23 ILE 22 3HG2 ILE 22 0.904 7.697 -0.395 181 HD11 ILE 22 3HD1 ILE 22 -0.588 5.226 -0.824 182 HD12 ILE 22 1HD1 ILE 22 -1.033 4.862 0.842 183 HD13 ILE 22 2HD1 ILE 22 0.315 5.949 0.507 184 H THR 23 H THR 23 -4.138 8.738 0.919 185 HA THR 23 HA THR 23 -3.287 10.827 2.757 186 HB THR 23 HB THR 23 -5.265 10.203 4.112 187 HG1 THR 23 HG1 THR 23 -6.579 8.655 2.400 188 HG21 THR 23 3HG2 THR 23 -6.979 10.902 2.491 189 HG22 THR 23 1HG2 THR 23 -5.840 10.621 1.174 190 HG23 THR 23 2HG2 THR 23 -5.516 11.879 2.370 191 H GLU 24 H GLU 24 -3.363 10.313 5.165 192 HA GLU 24 HA GLU 24 -1.218 8.565 5.728 193 HB2 GLU 24 2HB GLU 24 -3.154 9.852 7.668 194 HB3 GLU 24 1HB GLU 24 -1.568 9.203 8.061 195 HG2 GLU 24 2HG GLU 24 -2.133 11.564 6.272 196 HG3 GLU 24 1HG GLU 24 -1.506 11.625 7.913 197 H GLU 25 H GLU 25 -4.719 8.131 5.985 198 HA GLU 25 HA GLU 25 -4.638 5.723 7.489 199 HB2 GLU 25 2HB GLU 25 -6.703 7.000 7.285 200 HB3 GLU 25 1HB GLU 25 -6.730 6.739 5.546 201 HG2 GLU 25 2HG GLU 25 -7.033 4.347 5.891 202 HG3 GLU 25 1HG GLU 25 -6.960 4.575 7.636 203 H GLU 26 H GLU 26 -4.807 6.328 3.982 204 HA GLU 26 HA GLU 26 -4.703 3.651 3.125 205 HB2 GLU 26 2HB GLU 26 -3.560 6.092 1.735 206 HB3 GLU 26 1HB GLU 26 -3.934 4.552 0.976 207 HG2 GLU 26 2HG GLU 26 -5.976 6.345 2.277 208 HG3 GLU 26 1HG GLU 26 -5.602 6.343 0.557 209 H LYS 27 H LYS 27 -2.106 5.986 3.764 210 HA LYS 27 HA LYS 27 0.110 4.369 3.193 211 HB2 LYS 27 2HB LYS 27 -0.248 6.607 5.196 212 HB3 LYS 27 1HB LYS 27 1.311 5.880 4.830 213 HG2 LYS 27 2HG LYS 27 1.267 6.681 2.596 214 HG3 LYS 27 1HG LYS 27 -0.434 7.133 2.720 215 HD2 LYS 27 2HD LYS 27 1.016 9.103 2.837 216 HD3 LYS 27 1HD LYS 27 0.128 8.872 4.343 217 HE2 LYS 27 2HE LYS 27 2.121 7.832 5.343 218 HE3 LYS 27 1HE LYS 27 3.008 8.105 3.842 219 HZ1 LYS 27 3HZ LYS 27 1.819 10.226 5.550 220 HZ2 LYS 27 1HZ LYS 27 2.706 10.478 4.127 221 HZ3 LYS 27 2HZ LYS 27 3.459 9.817 5.488 222 H ALA 28 H ALA 28 -1.731 4.737 6.214 223 HA ALA 28 HA ALA 28 -0.212 3.035 7.837 224 HB1 ALA 28 3HB ALA 28 -2.216 2.829 9.228 225 HB2 ALA 28 1HB ALA 28 -3.194 3.522 7.929 226 HB3 ALA 28 2HB ALA 28 -1.956 4.499 8.722 227 H GLU 29 H GLU 29 -2.938 2.301 5.667 228 HA GLU 29 HA GLU 29 -3.040 -0.473 6.169 229 HB2 GLU 29 2HB GLU 29 -4.865 0.648 5.035 230 HB3 GLU 29 1HB GLU 29 -3.813 1.099 3.699 231 HG2 GLU 29 2HG GLU 29 -3.579 -1.230 3.055 232 HG3 GLU 29 1HG GLU 29 -4.532 -1.732 4.451 233 H GLN 30 H GLN 30 -1.295 1.384 3.672 234 HA GLN 30 HA GLN 30 -0.035 -0.692 2.330 235 HB2 GLN 30 2HB GLN 30 0.082 1.654 1.600 236 HB3 GLN 30 1HB GLN 30 1.093 2.043 2.984 237 HG2 GLN 30 2HG GLN 30 2.825 0.516 2.121 238 HG3 GLN 30 1HG GLN 30 1.819 0.198 0.712 239 HE21 GLN 30 1HE2 GLN 30 1.574 1.817 -0.844 240 HE22 GLN 30 2HE2 GLN 30 2.619 3.187 -0.910 241 H GLN 31 H GLN 31 1.068 1.040 5.236 242 HA GLN 31 HA GLN 31 3.441 -0.296 5.757 243 HB2 GLN 31 2HB GLN 31 2.779 1.619 7.063 244 HB3 GLN 31 1HB GLN 31 1.350 0.786 7.658 245 HG2 GLN 31 2HG GLN 31 2.856 -0.817 8.835 246 HG3 GLN 31 1HG GLN 31 4.225 0.176 8.342 247 HE21 GLN 31 1HE2 GLN 31 3.188 -0.466 11.014 248 HE22 GLN 31 2HE2 GLN 31 2.852 1.047 11.776 249 H LYS 32 H LYS 32 0.188 -1.150 6.939 250 HA LYS 32 HA LYS 32 0.851 -3.501 8.308 251 HB2 LYS 32 2HB LYS 32 -1.739 -2.840 6.884 252 HB3 LYS 32 1HB LYS 32 -1.538 -4.035 8.160 253 HG2 LYS 32 2HG LYS 32 -1.087 -2.362 9.786 254 HG3 LYS 32 1HG LYS 32 -0.927 -1.114 8.551 255 HD2 LYS 32 2HD LYS 32 -3.339 -1.420 8.002 256 HD3 LYS 32 1HD LYS 32 -3.461 -2.562 9.345 257 HE2 LYS 32 2HE LYS 32 -2.828 -0.821 10.918 258 HE3 LYS 32 1HE LYS 32 -2.598 0.322 9.597 259 HZ1 LYS 32 3HZ LYS 32 -5.177 -0.970 10.278 260 HZ2 LYS 32 1HZ LYS 32 -4.927 0.222 9.105 261 HZ3 LYS 32 2HZ LYS 32 -4.729 0.595 10.744 262 H LEU 33 H LEU 33 -0.161 -3.059 4.924 263 HA LEU 33 HA LEU 33 -0.140 -5.787 4.190 264 HG LEU 33 HG LEU 33 -1.883 -3.260 3.513 265 HB2 LEU 33 2HB LEU 33 0.354 -3.346 2.474 266 HB3 LEU 33 1HB LEU 33 0.005 -4.955 1.867 267 HD11 LEU 33 1HD1 LEU 33 -1.568 -2.373 1.261 268 HD12 LEU 33 2HD1 LEU 33 -3.179 -3.064 1.450 269 HD13 LEU 33 3HD1 LEU 33 -1.932 -3.959 0.575 270 HD21 LEU 33 3HD2 LEU 33 -3.551 -4.984 2.946 271 HD22 LEU 33 1HD2 LEU 33 -2.239 -5.616 3.939 272 HD23 LEU 33 2HD2 LEU 33 -2.276 -5.959 2.210 273 H ARG 34 H ARG 34 2.392 -3.312 4.163 274 HA ARG 34 HA ARG 34 4.388 -4.867 2.895 275 HE ARG 34 HE ARG 34 7.026 -1.056 3.876 276 HB2 ARG 34 2HB ARG 34 4.590 -2.505 4.771 277 HB3 ARG 34 1HB ARG 34 5.979 -3.220 3.959 278 HG2 ARG 34 2HG ARG 34 5.078 -2.657 1.795 279 HG3 ARG 34 1HG ARG 34 3.574 -2.091 2.526 280 HD2 ARG 34 2HD ARG 34 5.012 -0.218 1.910 281 HD3 ARG 34 1HD ARG 34 4.789 -0.296 3.656 282 HH11 ARG 34 1HH1 ARG 34 6.206 -0.210 0.639 283 HH12 ARG 34 2HH1 ARG 34 7.850 0.016 0.167 284 HH21 ARG 34 1HH2 ARG 34 9.131 -0.728 3.266 285 HH22 ARG 34 2HH2 ARG 34 9.483 -0.239 1.643 286 H GLN 35 H GLN 35 3.439 -4.535 6.299 287 HA GLN 35 HA GLN 35 5.525 -6.127 7.374 288 HB2 GLN 35 2HB GLN 35 2.701 -5.757 8.409 289 HB3 GLN 35 1HB GLN 35 4.037 -6.447 9.321 290 HG2 GLN 35 2HG GLN 35 3.740 -3.609 8.361 291 HG3 GLN 35 1HG GLN 35 3.751 -4.192 10.024 292 HE21 GLN 35 1HE2 GLN 35 5.670 -3.335 7.284 293 HE22 GLN 35 2HE2 GLN 35 7.204 -3.427 8.072 294 H GLU 36 H GLU 36 2.285 -6.949 6.160 295 HA GLU 36 HA GLU 36 2.404 -9.742 6.501 296 HB2 GLU 36 2HB GLU 36 0.984 -8.026 4.449 297 HB3 GLU 36 1HB GLU 36 0.777 -9.770 4.534 298 HG2 GLU 36 2HG GLU 36 0.256 -7.985 6.895 299 HG3 GLU 36 1HG GLU 36 -0.974 -8.321 5.677 300 H TYR 37 H TYR 37 3.613 -7.654 3.926 301 HA TYR 37 HA TYR 37 4.507 -9.688 2.170 302 HD1 TYR 37 HD1 TYR 37 4.851 -9.089 -0.382 303 HD2 TYR 37 HD2 TYR 37 7.677 -6.682 1.707 304 HE1 TYR 37 HE1 TYR 37 6.472 -9.421 -2.201 305 HE2 TYR 37 HE2 TYR 37 9.301 -7.007 -0.104 306 HH TYR 37 HH TYR 37 9.783 -8.502 -1.909 307 HB2 TYR 37 2HB TYR 37 4.205 -7.356 1.456 308 HB3 TYR 37 1HB TYR 37 5.498 -6.844 2.532 309 H LEU 38 H LEU 38 5.965 -8.147 4.978 310 HA LEU 38 HA LEU 38 8.557 -9.329 4.617 311 HG LEU 38 HG LEU 38 7.692 -6.410 5.217 312 HB2 LEU 38 2HB LEU 38 7.282 -8.030 7.032 313 HB3 LEU 38 1HB LEU 38 8.957 -8.541 6.953 314 HD11 LEU 38 1HD1 LEU 38 9.080 -4.849 6.478 315 HD12 LEU 38 2HD1 LEU 38 9.653 -6.166 7.501 316 HD13 LEU 38 3HD1 LEU 38 7.954 -5.699 7.536 317 HD21 LEU 38 3HD2 LEU 38 9.460 -7.601 4.030 318 HD22 LEU 38 1HD2 LEU 38 10.562 -7.346 5.383 319 HD23 LEU 38 2HD2 LEU 38 9.979 -5.969 4.446 320 H LYS 39 H LYS 39 5.580 -10.372 6.056 321 HA LYS 39 HA LYS 39 6.448 -12.276 7.894 322 HB2 LYS 39 2HB LYS 39 4.028 -12.341 6.081 323 HB3 LYS 39 1HB LYS 39 4.277 -13.433 7.436 324 HG2 LYS 39 2HG LYS 39 4.097 -10.432 7.672 325 HG3 LYS 39 1HG LYS 39 2.752 -11.542 7.928 326 HD2 LYS 39 2HD LYS 39 5.341 -11.556 9.494 327 HD3 LYS 39 1HD LYS 39 3.828 -10.829 10.043 328 HE2 LYS 39 2HE LYS 39 2.738 -13.027 9.925 329 HE3 LYS 39 1HE LYS 39 4.255 -13.751 9.394 330 HZ1 LYS 39 3HZ LYS 39 3.807 -12.407 12.004 331 HZ2 LYS 39 1HZ LYS 39 5.260 -13.107 11.499 332 HZ3 LYS 39 2HZ LYS 39 3.901 -14.076 11.759 333 H GLY 40 H GLY 40 7.979 -13.755 7.489 334 HA2 GLY 40 2HA GLY 40 8.869 -15.720 6.641 335 HA3 GLY 40 1HA GLY 40 7.525 -15.810 5.515 336 H PHE 41 H PHE 41 8.618 -12.809 4.983 337 HA PHE 41 HA PHE 41 9.897 -13.452 2.535 338 HD1 PHE 41 HD1 PHE 41 9.515 -11.869 0.482 339 HD2 PHE 41 HD2 PHE 41 11.625 -9.514 3.337 340 HE1 PHE 41 HE1 PHE 41 10.807 -10.828 -1.332 341 HE2 PHE 41 HE2 PHE 41 12.921 -8.473 1.524 342 HZ PHE 41 HZ PHE 41 12.511 -9.131 -0.812 343 HB2 PHE 41 2HB PHE 41 8.643 -11.361 2.871 344 HB3 PHE 41 1HB PHE 41 9.836 -10.822 4.046 345 H ARG 42 H ARG 42 11.165 -12.226 5.630 346 HA ARG 42 HA ARG 42 13.889 -12.909 4.713 347 HE ARG 42 HE ARG 42 16.014 -9.786 5.327 348 HB2 ARG 42 2HB ARG 42 13.103 -11.148 7.047 349 HB3 ARG 42 1HB ARG 42 14.727 -11.394 6.417 350 HG2 ARG 42 2HG ARG 42 13.931 -10.381 4.248 351 HG3 ARG 42 1HG ARG 42 12.439 -9.951 5.088 352 HD2 ARG 42 2HD ARG 42 13.911 -8.048 5.096 353 HD3 ARG 42 1HD ARG 42 13.805 -8.679 6.740 354 HH11 ARG 42 1HH1 ARG 42 14.984 -6.959 7.017 355 HH12 ARG 42 2HH1 ARG 42 16.601 -6.466 7.382 356 HH21 ARG 42 1HH2 ARG 42 18.076 -9.138 5.832 357 HH22 ARG 42 2HH2 ARG 42 18.317 -7.696 6.758 358 H SER 43 H SER 43 15.329 -13.431 6.813 359 HA SER 43 HA SER 43 14.220 -15.905 7.820 360 HG SER 43 HG SER 43 15.967 -17.241 8.903 361 HB2 SER 43 2HB SER 43 16.561 -15.868 7.137 362 HB3 SER 43 1HB SER 43 16.918 -14.620 8.331 363 H SER 44 H SER 44 13.377 -16.306 9.779 364 HA SER 44 HA SER 44 13.263 -14.108 11.726 365 HG SER 44 HG SER 44 11.053 -15.266 10.001 366 HB2 SER 44 2HB SER 44 11.700 -16.708 11.621 367 HB3 SER 44 1HB SER 44 11.468 -15.428 12.810 368 H MET 45 H MET 45 15.136 -14.149 12.894 369 HA MET 45 HA MET 45 16.248 -16.709 13.760 370 HB2 MET 45 2HB MET 45 17.324 -13.888 13.850 371 HB3 MET 45 1HB MET 45 18.168 -15.266 14.546 372 HG2 MET 45 2HG MET 45 17.439 -14.910 11.642 373 HG3 MET 45 1HG MET 45 19.045 -14.731 12.346 374 HE1 MET 45 3HE MET 45 18.658 -16.583 9.858 375 HE2 MET 45 1HE MET 45 19.534 -18.030 10.350 376 HE3 MET 45 2HE MET 45 20.190 -16.434 10.723 377 H LYS 46 H LYS 46 16.341 -17.432 15.820 378 HA LYS 46 HA LYS 46 14.946 -15.976 17.919 379 HB2 LYS 46 2HB LYS 46 16.375 -18.646 17.997 380 HB3 LYS 46 1HB LYS 46 15.358 -17.991 19.274 381 HG2 LYS 46 2HG LYS 46 13.427 -18.055 17.763 382 HG3 LYS 46 1HG LYS 46 14.451 -18.740 16.497 383 HD2 LYS 46 2HD LYS 46 14.918 -20.681 17.926 384 HD3 LYS 46 1HD LYS 46 13.894 -19.998 19.190 385 HE2 LYS 46 2HE LYS 46 11.971 -20.103 17.626 386 HE3 LYS 46 1HE LYS 46 13.017 -20.872 16.433 387 HZ1 LYS 46 3HZ LYS 46 11.682 -22.466 17.708 388 HZ2 LYS 46 1HZ LYS 46 12.446 -21.966 19.131 389 HZ3 LYS 46 2HZ LYS 46 13.340 -22.720 17.909 390 H LEU 47 H LEU 47 17.872 -15.606 16.671 391 HA LEU 47 HA LEU 47 19.121 -14.893 19.240 392 HG LEU 47 HG LEU 47 20.446 -15.012 15.721 393 HB2 LEU 47 2HB LEU 47 21.324 -15.164 18.172 394 HB3 LEU 47 1HB LEU 47 20.426 -16.663 18.244 395 HD11 LEU 47 1HD1 LEU 47 22.789 -15.368 16.330 396 HD12 LEU 47 2HD1 LEU 47 22.342 -16.335 14.927 397 HD13 LEU 47 3HD1 LEU 47 22.485 -17.098 16.510 398 HD21 LEU 47 3HD2 LEU 47 18.812 -16.815 15.828 399 HD22 LEU 47 1HD2 LEU 47 20.071 -17.965 16.273 400 HD23 LEU 47 2HD2 LEU 47 20.081 -17.216 14.675 401 H GLU 48 H GLU 48 20.396 -12.951 19.244 402 HA GLU 48 HA GLU 48 19.531 -11.017 17.185 403 HB2 GLU 48 2HB GLU 48 19.569 -9.313 19.075 404 HB3 GLU 48 1HB GLU 48 18.257 -10.480 19.092 405 HG2 GLU 48 2HG GLU 48 20.758 -10.733 20.764 406 HG3 GLU 48 1HG GLU 48 19.267 -9.981 21.322 Start of MODEL 12 1 HA MET 1 HA MET 1 0.768 -13.334 5.294 2 H1 MET 1 1H MET 1 -0.709 -13.848 7.083 3 H2 MET 1 2H MET 1 -2.070 -13.593 6.109 4 H3 MET 1 3H MET 1 -1.065 -12.293 6.513 5 HB2 MET 1 2HB MET 1 -1.403 -15.273 4.440 6 HB3 MET 1 1HB MET 1 0.215 -15.203 3.754 7 HG2 MET 1 2HG MET 1 -0.509 -15.926 6.590 8 HG3 MET 1 1HG MET 1 0.065 -17.020 5.329 9 HE1 MET 1 3HE MET 1 1.945 -17.943 6.949 10 HE2 MET 1 1HE MET 1 1.384 -16.870 8.229 11 HE3 MET 1 2HE MET 1 3.096 -16.916 7.801 12 H ILE 2 H ILE 2 1.095 -12.753 3.033 13 HA ILE 2 HA ILE 2 -0.916 -10.801 2.205 14 HB ILE 2 HB ILE 2 1.367 -9.999 2.396 15 HG12 ILE 2 2HG1 ILE 2 0.560 -10.096 -0.526 16 HG13 ILE 2 1HG1 ILE 2 -0.206 -9.059 0.674 17 HG21 ILE 2 1HG2 ILE 2 2.570 -12.062 1.905 18 HG22 ILE 2 2HG2 ILE 2 3.142 -10.743 0.883 19 HG23 ILE 2 3HG2 ILE 2 2.063 -11.973 0.218 20 HD11 ILE 2 3HD1 ILE 2 2.674 -8.952 -0.189 21 HD12 ILE 2 1HD1 ILE 2 1.931 -7.927 1.041 22 HD13 ILE 2 2HD1 ILE 2 1.394 -7.823 -0.635 23 H SER 3 H SER 3 -2.347 -11.206 0.682 24 HA SER 3 HA SER 3 -1.875 -13.320 -1.300 25 HG SER 3 HG SER 3 -4.890 -14.196 -0.062 26 HB2 SER 3 2HB SER 3 -4.410 -11.816 -0.584 27 HB3 SER 3 1HB SER 3 -4.300 -13.083 -1.806 28 H ASN 4 H ASN 4 -2.813 -12.817 -3.560 29 HA ASN 4 HA ASN 4 -1.188 -10.830 -4.691 30 HB2 ASN 4 2HB ASN 4 -2.072 -12.887 -5.847 31 HB3 ASN 4 1HB ASN 4 -3.618 -12.057 -6.013 32 HD21 ASN 4 1HD2 ASN 4 -3.502 -12.076 -8.259 33 HD22 ASN 4 2HD2 ASN 4 -2.414 -11.067 -9.135 34 H ALA 5 H ALA 5 -4.567 -10.659 -3.671 35 HA ALA 5 HA ALA 5 -5.239 -8.208 -4.907 36 HB1 ALA 5 3HB ALA 5 -7.022 -8.051 -3.224 37 HB2 ALA 5 1HB ALA 5 -6.269 -9.356 -2.306 38 HB3 ALA 5 2HB ALA 5 -6.922 -9.671 -3.913 39 H LYS 6 H LYS 6 -3.686 -8.924 -1.801 40 HA LYS 6 HA LYS 6 -3.493 -6.249 -0.875 41 HB2 LYS 6 2HB LYS 6 -1.789 -8.672 -0.227 42 HB3 LYS 6 1HB LYS 6 -1.717 -7.144 0.640 43 HG2 LYS 6 2HG LYS 6 -4.035 -7.414 1.342 44 HG3 LYS 6 1HG LYS 6 -4.139 -8.928 0.444 45 HD2 LYS 6 2HD LYS 6 -2.419 -9.910 1.893 46 HD3 LYS 6 1HD LYS 6 -2.285 -8.388 2.776 47 HE2 LYS 6 2HE LYS 6 -4.584 -8.587 3.535 48 HE3 LYS 6 1HE LYS 6 -4.804 -10.050 2.577 49 HZ1 LYS 6 3HZ LYS 6 -3.264 -11.207 3.951 50 HZ2 LYS 6 1HZ LYS 6 -4.387 -10.457 4.967 51 HZ3 LYS 6 2HZ LYS 6 -2.836 -9.804 4.791 52 H ILE 7 H ILE 7 -1.256 -8.325 -2.716 53 HA ILE 7 HA ILE 7 0.895 -6.550 -2.961 54 HB ILE 7 HB ILE 7 -0.068 -8.544 -5.031 55 HG12 ILE 7 2HG1 ILE 7 1.920 -8.904 -2.765 56 HG13 ILE 7 1HG1 ILE 7 0.288 -9.562 -2.801 57 HG21 ILE 7 1HG2 ILE 7 2.654 -7.296 -4.630 58 HG22 ILE 7 2HG2 ILE 7 1.548 -6.984 -5.968 59 HG23 ILE 7 3HG2 ILE 7 2.280 -8.578 -5.780 60 HD11 ILE 7 3HD1 ILE 7 2.536 -10.282 -4.671 61 HD12 ILE 7 1HD1 ILE 7 0.893 -10.922 -4.748 62 HD13 ILE 7 2HD1 ILE 7 1.907 -11.266 -3.348 63 H ALA 8 H ALA 8 -1.951 -6.950 -5.066 64 HA ALA 8 HA ALA 8 -1.373 -4.987 -6.967 65 HB1 ALA 8 3HB ALA 8 -4.079 -5.833 -5.926 66 HB2 ALA 8 1HB ALA 8 -3.180 -6.603 -7.235 67 HB3 ALA 8 2HB ALA 8 -3.781 -4.956 -7.428 68 H ARG 9 H ARG 9 -3.068 -4.678 -3.856 69 HA ARG 9 HA ARG 9 -3.690 -1.937 -4.066 70 HE ARG 9 HE ARG 9 -5.445 0.478 -0.583 71 HB2 ARG 9 2HB ARG 9 -4.650 -3.529 -2.377 72 HB3 ARG 9 1HB ARG 9 -3.121 -3.462 -1.513 73 HG2 ARG 9 2HG ARG 9 -4.733 -1.996 -0.462 74 HG3 ARG 9 1HG ARG 9 -3.437 -1.036 -1.179 75 HD2 ARG 9 2HD ARG 9 -4.843 -0.501 -3.084 76 HD3 ARG 9 1HD ARG 9 -6.121 -1.552 -2.471 77 HH11 ARG 9 1HH1 ARG 9 -7.162 -0.029 -3.529 78 HH12 ARG 9 2HH1 ARG 9 -8.264 1.263 -3.235 79 HH21 ARG 9 1HH2 ARG 9 -6.901 2.101 -0.196 80 HH22 ARG 9 2HH2 ARG 9 -8.131 2.444 -1.365 81 H ILE 10 H ILE 10 -0.813 -3.585 -2.741 82 HA ILE 10 HA ILE 10 0.526 -1.334 -1.735 83 HB ILE 10 HB ILE 10 1.725 -3.846 -2.935 84 HG12 ILE 10 2HG1 ILE 10 1.152 -3.071 -0.055 85 HG13 ILE 10 1HG1 ILE 10 0.260 -4.260 -0.998 86 HG21 ILE 10 1HG2 ILE 10 3.771 -3.255 -1.686 87 HG22 ILE 10 2HG2 ILE 10 3.038 -1.715 -1.234 88 HG23 ILE 10 3HG2 ILE 10 3.382 -2.066 -2.928 89 HD11 ILE 10 3HD1 ILE 10 2.280 -5.644 -1.134 90 HD12 ILE 10 1HD1 ILE 10 1.788 -5.342 0.532 91 HD13 ILE 10 2HD1 ILE 10 3.146 -4.457 -0.161 92 H ASN 11 H ASN 11 0.912 -2.851 -4.973 93 HA ASN 11 HA ASN 11 2.648 -0.962 -6.075 94 HB2 ASN 11 2HB ASN 11 0.534 -2.689 -7.368 95 HB3 ASN 11 1HB ASN 11 1.611 -1.656 -8.304 96 HD21 ASN 11 1HD2 ASN 11 1.381 -4.531 -6.367 97 HD22 ASN 11 2HD2 ASN 11 2.951 -5.137 -6.746 98 H GLU 12 H GLU 12 -0.903 -0.936 -5.971 99 HA GLU 12 HA GLU 12 -1.322 1.432 -7.426 100 HB2 GLU 12 2HB GLU 12 -3.111 -0.168 -6.850 101 HB3 GLU 12 1HB GLU 12 -2.980 0.295 -5.156 102 HG2 GLU 12 2HG GLU 12 -3.692 2.566 -5.718 103 HG3 GLU 12 1HG GLU 12 -3.799 2.117 -7.421 104 H LEU 13 H LEU 13 -0.960 0.940 -3.912 105 HA LEU 13 HA LEU 13 -1.150 3.657 -3.176 106 HG LEU 13 HG LEU 13 -2.039 0.845 -1.900 107 HB2 LEU 13 2HB LEU 13 0.314 1.402 -1.789 108 HB3 LEU 13 1HB LEU 13 -0.050 2.960 -1.069 109 HD11 LEU 13 1HD1 LEU 13 -1.344 1.971 0.808 110 HD12 LEU 13 2HD1 LEU 13 -0.900 0.374 0.200 111 HD13 LEU 13 3HD1 LEU 13 -2.596 0.774 0.471 112 HD21 LEU 13 3HD2 LEU 13 -2.943 3.034 -2.428 113 HD22 LEU 13 1HD2 LEU 13 -2.555 3.613 -0.807 114 HD23 LEU 13 2HD2 LEU 13 -3.770 2.350 -1.030 115 H ALA 14 H ALA 14 1.542 1.728 -4.342 116 HA ALA 14 HA ALA 14 3.636 3.559 -3.817 117 HB1 ALA 14 3HB ALA 14 4.020 1.204 -4.443 118 HB2 ALA 14 1HB ALA 14 4.904 2.319 -5.489 119 HB3 ALA 14 2HB ALA 14 3.426 1.550 -6.070 120 H ALA 15 H ALA 15 1.349 3.244 -6.499 121 HA ALA 15 HA ALA 15 2.391 5.379 -8.076 122 HB1 ALA 15 3HB ALA 15 -0.431 4.294 -7.965 123 HB2 ALA 15 1HB ALA 15 0.871 3.670 -8.980 124 HB3 ALA 15 2HB ALA 15 0.251 5.302 -9.244 125 H LYS 16 H LYS 16 -0.294 5.207 -5.737 126 HA LYS 16 HA LYS 16 -1.038 7.901 -5.730 127 HB2 LYS 16 2HB LYS 16 -1.113 5.904 -3.452 128 HB3 LYS 16 1HB LYS 16 -1.954 7.449 -3.459 129 HG2 LYS 16 2HG LYS 16 -3.294 6.714 -5.376 130 HG3 LYS 16 1HG LYS 16 -2.449 5.159 -5.363 131 HD2 LYS 16 2HD LYS 16 -3.280 4.727 -3.095 132 HD3 LYS 16 1HD LYS 16 -4.114 6.281 -3.099 133 HE2 LYS 16 2HE LYS 16 -4.666 3.980 -4.976 134 HE3 LYS 16 1HE LYS 16 -5.642 4.418 -3.575 135 HZ1 LYS 16 3HZ LYS 16 -6.673 5.323 -5.483 136 HZ2 LYS 16 1HZ LYS 16 -5.233 6.004 -6.048 137 HZ3 LYS 16 2HZ LYS 16 -5.973 6.621 -4.658 138 H ALA 17 H ALA 17 1.538 6.259 -3.964 139 HA ALA 17 HA ALA 17 2.245 8.350 -2.206 140 HB1 ALA 17 3HB ALA 17 4.361 7.159 -1.914 141 HB2 ALA 17 1HB ALA 17 4.021 6.181 -3.345 142 HB3 ALA 17 2HB ALA 17 3.004 6.030 -1.909 143 H LYS 18 H LYS 18 3.694 7.402 -5.337 144 HA LYS 18 HA LYS 18 5.456 9.578 -5.573 145 HB2 LYS 18 2HB LYS 18 4.140 7.894 -7.718 146 HB3 LYS 18 1HB LYS 18 5.418 9.062 -8.033 147 HG2 LYS 18 2HG LYS 18 6.882 7.782 -6.465 148 HG3 LYS 18 1HG LYS 18 5.616 6.555 -6.369 149 HD2 LYS 18 2HD LYS 18 6.966 7.444 -8.923 150 HD3 LYS 18 1HD LYS 18 7.411 6.009 -8.002 151 HE2 LYS 18 2HE LYS 18 4.664 6.497 -9.158 152 HE3 LYS 18 1HE LYS 18 5.921 5.565 -9.965 153 HZ1 LYS 18 3HZ LYS 18 5.929 4.027 -8.108 154 HZ2 LYS 18 1HZ LYS 18 4.381 4.140 -8.777 155 HZ3 LYS 18 2HZ LYS 18 4.734 4.925 -7.320 156 H ALA 19 H ALA 19 2.090 9.213 -6.631 157 HA ALA 19 HA ALA 19 1.928 11.784 -7.875 158 HB1 ALA 19 3HB ALA 19 -0.295 9.978 -6.917 159 HB2 ALA 19 1HB ALA 19 0.449 9.940 -8.516 160 HB3 ALA 19 2HB ALA 19 -0.472 11.354 -8.006 161 H GLY 20 H GLY 20 1.706 10.718 -4.598 162 HA2 GLY 20 2HA GLY 20 1.650 12.033 -2.678 163 HA3 GLY 20 1HA GLY 20 1.322 13.442 -3.673 164 H VAL 21 H VAL 21 -0.818 10.977 -4.458 165 HA VAL 21 HA VAL 21 -2.981 12.406 -3.091 166 HB VAL 21 HB VAL 21 -4.501 11.223 -4.599 167 HG11 VAL 21 1HG1 VAL 21 -3.497 13.306 -5.371 168 HG12 VAL 21 2HG1 VAL 21 -3.741 12.198 -6.721 169 HG13 VAL 21 3HG1 VAL 21 -2.131 12.416 -6.043 170 HG21 VAL 21 3HG2 VAL 21 -3.644 9.749 -6.368 171 HG22 VAL 21 1HG2 VAL 21 -3.327 9.087 -4.764 172 HG23 VAL 21 2HG2 VAL 21 -2.027 9.858 -5.674 173 H ILE 22 H ILE 22 -1.104 10.148 -1.977 174 HA ILE 22 HA ILE 22 -2.977 8.069 -1.228 175 HB ILE 22 HB ILE 22 -0.663 7.460 -1.624 176 HG12 ILE 22 2HG1 ILE 22 -1.328 7.188 1.324 177 HG13 ILE 22 1HG1 ILE 22 -1.960 6.161 0.040 178 HG21 ILE 22 1HG2 ILE 22 0.045 9.272 0.686 179 HG22 ILE 22 2HG2 ILE 22 0.421 9.546 -1.015 180 HG23 ILE 22 3HG2 ILE 22 1.160 8.195 -0.158 181 HD11 ILE 22 3HD1 ILE 22 0.292 5.375 -0.453 182 HD12 ILE 22 1HD1 ILE 22 -0.140 5.082 1.231 183 HD13 ILE 22 2HD1 ILE 22 0.937 6.416 0.818 184 H THR 23 H THR 23 -4.168 7.964 0.619 185 HA THR 23 HA THR 23 -4.223 10.278 2.365 186 HB THR 23 HB THR 23 -6.151 9.246 3.442 187 HG1 THR 23 HG1 THR 23 -6.845 7.137 2.420 188 HG21 THR 23 3HG2 THR 23 -7.660 9.090 1.507 189 HG22 THR 23 1HG2 THR 23 -6.268 8.972 0.431 190 HG23 THR 23 2HG2 THR 23 -6.546 10.448 1.354 191 H GLU 24 H GLU 24 -4.343 10.035 4.728 192 HA GLU 24 HA GLU 24 -2.087 8.891 5.888 193 HB2 GLU 24 2HB GLU 24 -4.719 9.457 7.276 194 HB3 GLU 24 1HB GLU 24 -3.135 9.351 8.034 195 HG2 GLU 24 2HG GLU 24 -2.409 11.328 6.786 196 HG3 GLU 24 1HG GLU 24 -3.994 11.436 6.033 197 H GLU 25 H GLU 25 -5.390 7.622 5.692 198 HA GLU 25 HA GLU 25 -5.036 5.275 7.184 199 HB2 GLU 25 2HB GLU 25 -7.238 6.162 6.529 200 HB3 GLU 25 1HB GLU 25 -6.904 5.768 4.848 201 HG2 GLU 25 2HG GLU 25 -6.865 3.397 5.381 202 HG3 GLU 25 1HG GLU 25 -7.097 3.756 7.094 203 H GLU 26 H GLU 26 -4.728 5.806 3.664 204 HA GLU 26 HA GLU 26 -3.996 3.159 3.012 205 HB2 GLU 26 2HB GLU 26 -3.318 5.736 1.577 206 HB3 GLU 26 1HB GLU 26 -3.135 4.123 0.900 207 HG2 GLU 26 2HG GLU 26 -5.708 5.477 1.683 208 HG3 GLU 26 1HG GLU 26 -5.135 5.141 0.051 209 H LYS 27 H LYS 27 -2.081 5.902 4.120 210 HA LYS 27 HA LYS 27 0.484 4.826 3.596 211 HB2 LYS 27 2HB LYS 27 -0.427 6.788 5.715 212 HB3 LYS 27 1HB LYS 27 1.259 6.427 5.365 213 HG2 LYS 27 2HG LYS 27 1.000 7.280 3.103 214 HG3 LYS 27 1HG LYS 27 -0.716 7.574 3.393 215 HD2 LYS 27 2HD LYS 27 -0.133 9.194 5.152 216 HD3 LYS 27 1HD LYS 27 1.583 8.903 4.845 217 HE2 LYS 27 2HE LYS 27 1.302 9.720 2.543 218 HE3 LYS 27 1HE LYS 27 -0.409 10.001 2.853 219 HZ1 LYS 27 3HZ LYS 27 0.188 11.640 4.513 220 HZ2 LYS 27 1HZ LYS 27 0.890 12.028 3.026 221 HZ3 LYS 27 2HZ LYS 27 1.834 11.350 4.253 222 H ALA 28 H ALA 28 -1.503 4.763 6.557 223 HA ALA 28 HA ALA 28 0.189 3.098 8.078 224 HB1 ALA 28 3HB ALA 28 -1.627 4.412 9.066 225 HB2 ALA 28 1HB ALA 28 -1.764 2.709 9.499 226 HB3 ALA 28 2HB ALA 28 -2.813 3.389 8.257 227 H GLU 29 H GLU 29 -2.580 2.313 5.984 228 HA GLU 29 HA GLU 29 -2.544 -0.481 6.363 229 HB2 GLU 29 2HB GLU 29 -4.459 0.740 5.404 230 HB3 GLU 29 1HB GLU 29 -3.515 1.096 3.965 231 HG2 GLU 29 2HG GLU 29 -5.043 -0.716 3.520 232 HG3 GLU 29 1HG GLU 29 -3.386 -1.311 3.467 233 H GLN 30 H GLN 30 -0.810 1.592 4.055 234 HA GLN 30 HA GLN 30 0.286 -0.385 2.409 235 HB2 GLN 30 2HB GLN 30 0.491 2.024 1.935 236 HB3 GLN 30 1HB GLN 30 1.575 2.209 3.307 237 HG2 GLN 30 2HG GLN 30 3.192 0.706 2.208 238 HG3 GLN 30 1HG GLN 30 2.111 0.583 0.822 239 HE21 GLN 30 1HE2 GLN 30 1.897 2.363 -0.557 240 HE22 GLN 30 2HE2 GLN 30 3.021 3.671 -0.542 241 H GLN 31 H GLN 31 1.588 1.003 5.417 242 HA GLN 31 HA GLN 31 3.871 -0.632 5.650 243 HB2 GLN 31 2HB GLN 31 2.163 0.573 7.846 244 HB3 GLN 31 1HB GLN 31 3.805 -0.027 8.050 245 HG2 GLN 31 2HG GLN 31 4.687 1.707 6.658 246 HG3 GLN 31 1HG GLN 31 3.069 2.227 6.187 247 HE21 GLN 31 1HE2 GLN 31 5.435 2.209 8.738 248 HE22 GLN 31 2HE2 GLN 31 4.679 3.421 9.706 249 H LYS 32 H LYS 32 0.637 -0.991 7.057 250 HA LYS 32 HA LYS 32 0.868 -3.406 8.378 251 HB2 LYS 32 2HB LYS 32 -1.047 -2.000 8.631 252 HB3 LYS 32 1HB LYS 32 -1.434 -2.105 6.923 253 HG2 LYS 32 2HG LYS 32 -2.151 -4.377 7.161 254 HG3 LYS 32 1HG LYS 32 -1.585 -4.429 8.835 255 HD2 LYS 32 2HD LYS 32 -3.267 -2.943 9.566 256 HD3 LYS 32 1HD LYS 32 -3.643 -2.423 7.923 257 HE2 LYS 32 2HE LYS 32 -4.136 -5.201 9.000 258 HE3 LYS 32 1HE LYS 32 -5.352 -3.928 8.930 259 HZ1 LYS 32 3HZ LYS 32 -5.008 -3.847 6.507 260 HZ2 LYS 32 1HZ LYS 32 -5.585 -5.348 7.039 261 HZ3 LYS 32 2HZ LYS 32 -3.958 -5.165 6.625 262 H LEU 33 H LEU 33 0.036 -2.890 4.946 263 HA LEU 33 HA LEU 33 -0.236 -5.618 4.239 264 HG LEU 33 HG LEU 33 -1.846 -3.151 3.460 265 HB2 LEU 33 2HB LEU 33 0.464 -3.192 2.576 266 HB3 LEU 33 1HB LEU 33 0.166 -4.782 1.890 267 HD11 LEU 33 1HD1 LEU 33 -1.647 -3.695 0.496 268 HD12 LEU 33 2HD1 LEU 33 -1.392 -2.146 1.299 269 HD13 LEU 33 3HD1 LEU 33 -2.990 -2.889 1.307 270 HD21 LEU 33 3HD2 LEU 33 -3.460 -4.841 2.747 271 HD22 LEU 33 1HD2 LEU 33 -2.179 -5.564 3.717 272 HD23 LEU 33 2HD2 LEU 33 -2.173 -5.757 1.965 273 H ARG 34 H ARG 34 2.543 -3.403 4.150 274 HA ARG 34 HA ARG 34 4.348 -5.233 2.959 275 HE ARG 34 HE ARG 34 7.495 -2.620 3.171 276 HB2 ARG 34 2HB ARG 34 4.828 -2.774 4.645 277 HB3 ARG 34 1HB ARG 34 6.131 -3.710 3.917 278 HG2 ARG 34 2HG ARG 34 5.113 -3.304 1.686 279 HG3 ARG 34 1HG ARG 34 3.918 -2.262 2.459 280 HD2 ARG 34 2HD ARG 34 5.760 -0.971 1.476 281 HD3 ARG 34 1HD ARG 34 5.684 -0.771 3.227 282 HH11 ARG 34 1HH1 ARG 34 7.151 -0.107 0.848 283 HH12 ARG 34 2HH1 ARG 34 8.843 -0.043 0.505 284 HH21 ARG 34 1HH2 ARG 34 9.658 -2.535 2.739 285 HH22 ARG 34 2HH2 ARG 34 10.262 -1.409 1.570 286 H GLN 35 H GLN 35 3.339 -4.770 6.305 287 HA GLN 35 HA GLN 35 5.315 -6.407 7.508 288 HB2 GLN 35 2HB GLN 35 2.432 -5.979 8.343 289 HB3 GLN 35 1HB GLN 35 3.670 -6.732 9.339 290 HG2 GLN 35 2HG GLN 35 3.568 -3.868 8.408 291 HG3 GLN 35 1HG GLN 35 3.378 -4.466 10.052 292 HE21 GLN 35 1HE2 GLN 35 5.613 -3.714 7.530 293 HE22 GLN 35 2HE2 GLN 35 7.048 -3.872 8.477 294 H GLU 36 H GLU 36 2.123 -7.144 6.136 295 HA GLU 36 HA GLU 36 2.152 -9.930 6.418 296 HB2 GLU 36 2HB GLU 36 0.954 -8.185 4.253 297 HB3 GLU 36 1HB GLU 36 0.638 -9.909 4.394 298 HG2 GLU 36 2HG GLU 36 0.080 -7.978 6.630 299 HG3 GLU 36 1HG GLU 36 -1.095 -8.339 5.367 300 H TYR 37 H TYR 37 3.611 -7.866 3.954 301 HA TYR 37 HA TYR 37 4.566 -9.960 2.276 302 HD1 TYR 37 HD1 TYR 37 4.912 -9.231 -0.389 303 HD2 TYR 37 HD2 TYR 37 7.838 -7.172 1.925 304 HE1 TYR 37 HE1 TYR 37 6.576 -9.608 -2.161 305 HE2 TYR 37 HE2 TYR 37 9.503 -7.542 0.156 306 HH TYR 37 HH TYR 37 9.915 -9.051 -1.700 307 HB2 TYR 37 2HB TYR 37 4.291 -7.635 1.510 308 HB3 TYR 37 1HB TYR 37 5.563 -7.118 2.608 309 H LEU 38 H LEU 38 5.793 -8.469 5.188 310 HA LEU 38 HA LEU 38 8.454 -9.574 4.917 311 HG LEU 38 HG LEU 38 7.617 -6.643 5.355 312 HB2 LEU 38 2HB LEU 38 7.087 -8.172 7.215 313 HB3 LEU 38 1HB LEU 38 8.757 -8.709 7.252 314 HD11 LEU 38 1HD1 LEU 38 7.749 -5.804 7.628 315 HD12 LEU 38 2HD1 LEU 38 8.985 -5.049 6.623 316 HD13 LEU 38 3HD1 LEU 38 9.427 -6.331 7.752 317 HD21 LEU 38 3HD2 LEU 38 9.423 -7.884 4.308 318 HD22 LEU 38 1HD2 LEU 38 10.453 -7.625 5.718 319 HD23 LEU 38 2HD2 LEU 38 9.963 -6.257 4.718 320 H LYS 39 H LYS 39 5.447 -10.706 6.150 321 HA LYS 39 HA LYS 39 6.260 -12.491 8.148 322 HB2 LYS 39 2HB LYS 39 4.010 -12.804 6.144 323 HB3 LYS 39 1HB LYS 39 4.207 -13.785 7.589 324 HG2 LYS 39 2HG LYS 39 3.791 -10.798 7.577 325 HG3 LYS 39 1HG LYS 39 2.522 -11.994 7.839 326 HD2 LYS 39 2HD LYS 39 3.738 -12.811 9.826 327 HD3 LYS 39 1HD LYS 39 4.965 -11.568 9.571 328 HE2 LYS 39 2HE LYS 39 3.249 -9.828 9.856 329 HE3 LYS 39 1HE LYS 39 2.031 -11.077 10.119 330 HZ1 LYS 39 3HZ LYS 39 4.406 -10.562 11.832 331 HZ2 LYS 39 1HZ LYS 39 3.276 -11.797 12.079 332 HZ3 LYS 39 2HZ LYS 39 2.803 -10.183 12.209 333 H GLY 40 H GLY 40 8.128 -13.632 7.731 334 HA2 GLY 40 2HA GLY 40 9.093 -15.695 7.132 335 HA3 GLY 40 1HA GLY 40 7.874 -15.886 5.886 336 H PHE 41 H PHE 41 9.070 -12.817 5.590 337 HA PHE 41 HA PHE 41 10.732 -13.589 3.316 338 HD1 PHE 41 HD1 PHE 41 10.022 -12.312 0.848 339 HD2 PHE 41 HD2 PHE 41 11.713 -9.520 3.590 340 HE1 PHE 41 HE1 PHE 41 11.353 -11.330 -0.973 341 HE2 PHE 41 HE2 PHE 41 13.041 -8.534 1.770 342 HZ PHE 41 HZ PHE 41 12.865 -9.438 -0.514 343 HB2 PHE 41 2HB PHE 41 8.985 -11.846 3.060 344 HB3 PHE 41 1HB PHE 41 9.830 -10.843 4.232 345 H ARG 42 H ARG 42 12.827 -13.965 3.689 346 HA ARG 42 HA ARG 42 14.508 -12.026 5.004 347 HE ARG 42 HE ARG 42 16.298 -15.814 7.498 348 HB2 ARG 42 2HB ARG 42 15.380 -13.575 6.735 349 HB3 ARG 42 1HB ARG 42 13.688 -13.168 6.987 350 HG2 ARG 42 2HG ARG 42 12.996 -15.310 6.091 351 HG3 ARG 42 1HG ARG 42 14.667 -15.715 5.697 352 HD2 ARG 42 2HD ARG 42 13.639 -15.187 8.488 353 HD3 ARG 42 1HD ARG 42 13.837 -16.791 7.781 354 HH11 ARG 42 1HH1 ARG 42 14.178 -15.707 10.216 355 HH12 ARG 42 2HH1 ARG 42 15.477 -15.722 11.352 356 HH21 ARG 42 1HH2 ARG 42 17.955 -15.842 8.994 357 HH22 ARG 42 2HH2 ARG 42 17.569 -15.828 10.681 358 H SER 43 H SER 43 16.842 -13.011 5.242 359 HA SER 43 HA SER 43 17.414 -14.684 2.873 360 HG SER 43 HG SER 43 20.817 -13.715 3.472 361 HB2 SER 43 2HB SER 43 18.540 -12.539 2.766 362 HB3 SER 43 1HB SER 43 19.198 -12.754 4.387 363 H SER 44 H SER 44 18.012 -16.743 3.228 364 HA SER 44 HA SER 44 19.559 -17.435 5.613 365 HG SER 44 HG SER 44 17.492 -17.804 7.521 366 HB2 SER 44 2HB SER 44 16.881 -18.703 4.972 367 HB3 SER 44 1HB SER 44 18.022 -19.341 6.155 368 H MET 45 H MET 45 20.645 -19.457 5.486 369 HA MET 45 HA MET 45 21.281 -20.298 2.789 370 HB2 MET 45 2HB MET 45 22.287 -21.269 5.477 371 HB3 MET 45 1HB MET 45 22.928 -21.784 3.923 372 HG2 MET 45 2HG MET 45 23.688 -19.549 3.438 373 HG3 MET 45 1HG MET 45 22.932 -18.937 4.908 374 HE1 MET 45 3HE MET 45 26.496 -21.881 4.956 375 HE2 MET 45 1HE MET 45 25.703 -21.344 3.476 376 HE3 MET 45 2HE MET 45 24.837 -22.379 4.611 377 H LYS 46 H LYS 46 21.259 -22.551 2.102 378 HA LYS 46 HA LYS 46 18.777 -23.850 2.781 379 HB2 LYS 46 2HB LYS 46 20.817 -24.131 0.671 380 HB3 LYS 46 1HB LYS 46 20.062 -25.643 1.149 381 HG2 LYS 46 2HG LYS 46 18.915 -24.641 -0.744 382 HG3 LYS 46 1HG LYS 46 17.861 -24.723 0.667 383 HD2 LYS 46 2HD LYS 46 18.323 -22.346 1.126 384 HD3 LYS 46 1HD LYS 46 19.341 -22.279 -0.315 385 HE2 LYS 46 2HE LYS 46 16.379 -22.874 -0.228 386 HE3 LYS 46 1HE LYS 46 17.134 -21.390 -0.808 387 HZ1 LYS 46 3HZ LYS 46 16.531 -22.795 -2.655 388 HZ2 LYS 46 1HZ LYS 46 17.418 -24.090 -2.024 389 HZ3 LYS 46 2HZ LYS 46 18.214 -22.696 -2.563 390 H LEU 47 H LEU 47 19.010 -24.464 4.940 391 HA LEU 47 HA LEU 47 21.034 -26.396 5.698 392 HG LEU 47 HG LEU 47 20.116 -23.565 6.875 393 HB2 LEU 47 2HB LEU 47 18.585 -25.453 7.202 394 HB3 LEU 47 1HB LEU 47 19.892 -26.413 7.873 395 HD11 LEU 47 1HD1 LEU 47 20.208 -24.695 9.674 396 HD12 LEU 47 2HD1 LEU 47 18.901 -23.734 8.980 397 HD13 LEU 47 3HD1 LEU 47 20.487 -23.011 9.233 398 HD21 LEU 47 3HD2 LEU 47 22.399 -23.635 7.789 399 HD22 LEU 47 1HD2 LEU 47 22.187 -24.786 6.468 400 HD23 LEU 47 2HD2 LEU 47 22.201 -25.354 8.139 401 H GLU 48 H GLU 48 20.737 -28.226 4.480 402 HA GLU 48 HA GLU 48 18.117 -29.428 4.191 403 HB2 GLU 48 2HB GLU 48 19.414 -31.181 2.891 404 HB3 GLU 48 1HB GLU 48 19.434 -29.550 2.244 405 HG2 GLU 48 2HG GLU 48 21.672 -29.215 3.251 406 HG3 GLU 48 1HG GLU 48 21.649 -30.892 3.794 Start of MODEL 13 1 HA MET 1 HA MET 1 -0.391 -13.806 5.434 2 H1 MET 1 1H MET 1 -1.684 -13.616 7.460 3 H2 MET 1 2H MET 1 -2.680 -12.455 6.739 4 H3 MET 1 3H MET 1 -1.044 -12.124 6.997 5 HB2 MET 1 2HB MET 1 -2.117 -14.948 4.074 6 HB3 MET 1 1HB MET 1 -2.220 -15.366 5.776 7 HG2 MET 1 2HG MET 1 -4.083 -13.777 6.035 8 HG3 MET 1 1HG MET 1 -3.994 -13.421 4.310 9 HE1 MET 1 3HE MET 1 -5.103 -17.570 6.006 10 HE2 MET 1 1HE MET 1 -4.626 -16.195 7.002 11 HE3 MET 1 2HE MET 1 -3.446 -16.973 5.947 12 H ILE 2 H ILE 2 -0.660 -13.549 2.943 13 HA ILE 2 HA ILE 2 -1.892 -11.067 2.116 14 HB ILE 2 HB ILE 2 0.123 -10.138 3.034 15 HG12 ILE 2 2HG1 ILE 2 0.423 -10.268 0.018 16 HG13 ILE 2 1HG1 ILE 2 -0.722 -9.237 0.862 17 HG21 ILE 2 1HG2 ILE 2 1.523 -12.128 3.066 18 HG22 ILE 2 2HG2 ILE 2 2.365 -10.794 2.280 19 HG23 ILE 2 3HG2 ILE 2 1.660 -12.083 1.307 20 HD11 ILE 2 3HD1 ILE 2 1.121 -8.044 1.918 21 HD12 ILE 2 1HD1 ILE 2 1.239 -8.002 0.158 22 HD13 ILE 2 2HD1 ILE 2 2.273 -9.090 1.087 23 H SER 3 H SER 3 -2.857 -11.618 0.290 24 HA SER 3 HA SER 3 -1.449 -13.367 -1.629 25 HG SER 3 HG SER 3 -4.658 -13.889 -3.187 26 HB2 SER 3 2HB SER 3 -3.634 -14.221 -0.891 27 HB3 SER 3 1HB SER 3 -4.408 -12.733 -1.428 28 H ASN 4 H ASN 4 -2.592 -12.843 -3.971 29 HA ASN 4 HA ASN 4 -1.116 -10.710 -4.939 30 HB2 ASN 4 2HB ASN 4 -3.528 -12.053 -6.174 31 HB3 ASN 4 1HB ASN 4 -2.427 -10.986 -7.041 32 HD21 ASN 4 1HD2 ASN 4 -3.030 -13.798 -7.503 33 HD22 ASN 4 2HD2 ASN 4 -1.520 -14.635 -7.387 34 H ALA 5 H ALA 5 -4.569 -10.689 -4.027 35 HA ALA 5 HA ALA 5 -5.218 -8.161 -5.049 36 HB1 ALA 5 3HB ALA 5 -7.104 -8.167 -3.530 37 HB2 ALA 5 1HB ALA 5 -6.356 -9.438 -2.563 38 HB3 ALA 5 2HB ALA 5 -6.876 -9.777 -4.213 39 H LYS 6 H LYS 6 -3.792 -9.030 -1.912 40 HA LYS 6 HA LYS 6 -3.742 -6.364 -0.892 41 HB2 LYS 6 2HB LYS 6 -2.250 -8.870 -0.136 42 HB3 LYS 6 1HB LYS 6 -1.977 -7.338 0.684 43 HG2 LYS 6 2HG LYS 6 -4.317 -7.270 1.369 44 HG3 LYS 6 1HG LYS 6 -4.619 -8.790 0.523 45 HD2 LYS 6 2HD LYS 6 -3.167 -9.985 2.009 46 HD3 LYS 6 1HD LYS 6 -2.591 -8.488 2.744 47 HE2 LYS 6 2HE LYS 6 -4.217 -9.683 4.163 48 HE3 LYS 6 1HE LYS 6 -4.772 -8.074 3.707 49 HZ1 LYS 6 3HZ LYS 6 -5.624 -10.614 2.424 50 HZ2 LYS 6 1HZ LYS 6 -6.173 -9.069 2.021 51 HZ3 LYS 6 2HZ LYS 6 -6.531 -9.722 3.535 52 H ILE 7 H ILE 7 -1.406 -8.343 -2.678 53 HA ILE 7 HA ILE 7 0.767 -6.539 -2.587 54 HB ILE 7 HB ILE 7 0.089 -8.557 -4.743 55 HG12 ILE 7 2HG1 ILE 7 1.868 -8.808 -2.297 56 HG13 ILE 7 1HG1 ILE 7 0.276 -9.538 -2.477 57 HG21 ILE 7 1HG2 ILE 7 1.713 -6.932 -5.546 58 HG22 ILE 7 2HG2 ILE 7 2.498 -8.488 -5.275 59 HG23 ILE 7 3HG2 ILE 7 2.709 -7.181 -4.109 60 HD11 ILE 7 3HD1 ILE 7 2.724 -10.176 -4.109 61 HD12 ILE 7 1HD1 ILE 7 1.126 -10.891 -4.335 62 HD13 ILE 7 2HD1 ILE 7 2.015 -11.171 -2.837 63 H ALA 8 H ALA 8 -1.766 -6.988 -5.061 64 HA ALA 8 HA ALA 8 -1.055 -4.872 -6.758 65 HB1 ALA 8 3HB ALA 8 -2.673 -6.601 -7.389 66 HB2 ALA 8 1HB ALA 8 -3.352 -4.986 -7.595 67 HB3 ALA 8 2HB ALA 8 -3.817 -5.967 -6.205 68 H ARG 9 H ARG 9 -2.969 -4.913 -3.798 69 HA ARG 9 HA ARG 9 -3.851 -2.244 -3.798 70 HE ARG 9 HE ARG 9 -5.518 -0.503 0.305 71 HB2 ARG 9 2HB ARG 9 -4.658 -3.966 -2.226 72 HB3 ARG 9 1HB ARG 9 -3.080 -4.003 -1.454 73 HG2 ARG 9 2HG ARG 9 -4.586 -2.730 -0.091 74 HG3 ARG 9 1HG ARG 9 -3.391 -1.635 -0.785 75 HD2 ARG 9 2HD ARG 9 -4.960 -0.813 -2.386 76 HD3 ARG 9 1HD ARG 9 -6.131 -2.066 -1.975 77 HH11 ARG 9 1HH1 ARG 9 -7.252 -0.320 -2.667 78 HH12 ARG 9 2HH1 ARG 9 -8.434 0.773 -2.031 79 HH21 ARG 9 1HH2 ARG 9 -7.001 0.887 1.100 80 HH22 ARG 9 2HH2 ARG 9 -8.298 1.448 0.097 81 H ILE 10 H ILE 10 -0.894 -3.686 -2.384 82 HA ILE 10 HA ILE 10 0.320 -1.345 -1.455 83 HB ILE 10 HB ILE 10 1.686 -3.801 -2.594 84 HG12 ILE 10 2HG1 ILE 10 0.966 -3.110 0.271 85 HG13 ILE 10 1HG1 ILE 10 0.134 -4.298 -0.728 86 HG21 ILE 10 1HG2 ILE 10 2.780 -1.657 -0.760 87 HG22 ILE 10 2HG2 ILE 10 3.216 -1.894 -2.453 88 HG23 ILE 10 3HG2 ILE 10 3.628 -3.123 -1.259 89 HD11 ILE 10 3HD1 ILE 10 2.202 -5.620 -0.839 90 HD12 ILE 10 1HD1 ILE 10 1.634 -5.384 0.813 91 HD13 ILE 10 2HD1 ILE 10 2.993 -4.441 0.208 92 H ASN 11 H ASN 11 0.660 -2.926 -4.641 93 HA ASN 11 HA ASN 11 2.434 -1.156 -5.845 94 HB2 ASN 11 2HB ASN 11 0.128 -2.628 -7.155 95 HB3 ASN 11 1HB ASN 11 1.508 -1.931 -8.000 96 HD21 ASN 11 1HD2 ASN 11 0.621 -4.685 -7.934 97 HD22 ASN 11 2HD2 ASN 11 1.942 -5.602 -7.310 98 H GLU 12 H GLU 12 -1.140 -1.033 -5.933 99 HA GLU 12 HA GLU 12 -1.439 1.345 -7.365 100 HB2 GLU 12 2HB GLU 12 -3.260 -0.276 -6.736 101 HB3 GLU 12 1HB GLU 12 -3.215 0.380 -5.109 102 HG2 GLU 12 2HG GLU 12 -5.046 1.374 -6.263 103 HG3 GLU 12 1HG GLU 12 -3.804 2.603 -6.039 104 H LEU 13 H LEU 13 -1.257 0.858 -3.836 105 HA LEU 13 HA LEU 13 -1.465 3.570 -3.099 106 HG LEU 13 HG LEU 13 -2.489 0.805 -1.939 107 HB2 LEU 13 2HB LEU 13 -0.122 1.289 -1.639 108 HB3 LEU 13 1HB LEU 13 -0.504 2.848 -0.928 109 HD11 LEU 13 1HD1 LEU 13 -1.892 1.761 0.861 110 HD12 LEU 13 2HD1 LEU 13 -1.462 0.191 0.183 111 HD13 LEU 13 3HD1 LEU 13 -3.158 0.622 0.399 112 HD21 LEU 13 3HD2 LEU 13 -3.337 3.012 -2.402 113 HD22 LEU 13 1HD2 LEU 13 -2.949 3.547 -0.766 114 HD23 LEU 13 2HD2 LEU 13 -4.205 2.335 -1.025 115 H ALA 14 H ALA 14 1.319 1.632 -4.049 116 HA ALA 14 HA ALA 14 3.359 3.418 -3.266 117 HB1 ALA 14 3HB ALA 14 4.778 2.216 -4.858 118 HB2 ALA 14 1HB ALA 14 3.353 1.462 -5.568 119 HB3 ALA 14 2HB ALA 14 3.806 1.098 -3.906 120 H ALA 15 H ALA 15 1.587 3.097 -6.341 121 HA ALA 15 HA ALA 15 2.816 5.242 -7.702 122 HB1 ALA 15 3HB ALA 15 0.003 4.182 -8.014 123 HB2 ALA 15 1HB ALA 15 1.438 3.558 -8.829 124 HB3 ALA 15 2HB ALA 15 0.866 5.189 -9.176 125 H LYS 16 H LYS 16 -0.207 5.149 -5.805 126 HA LYS 16 HA LYS 16 -0.866 7.870 -5.986 127 HB2 LYS 16 2HB LYS 16 -1.424 6.010 -3.654 128 HB3 LYS 16 1HB LYS 16 -2.296 7.490 -4.041 129 HG2 LYS 16 2HG LYS 16 -3.134 6.512 -6.089 130 HG3 LYS 16 1HG LYS 16 -2.172 5.061 -5.826 131 HD2 LYS 16 2HD LYS 16 -4.232 4.358 -5.081 132 HD3 LYS 16 1HD LYS 16 -3.513 4.925 -3.577 133 HE2 LYS 16 2HE LYS 16 -5.324 6.607 -5.313 134 HE3 LYS 16 1HE LYS 16 -5.896 5.628 -3.967 135 HZ1 LYS 16 3HZ LYS 16 -4.502 6.923 -2.480 136 HZ2 LYS 16 1HZ LYS 16 -5.583 7.917 -3.315 137 HZ3 LYS 16 2HZ LYS 16 -3.961 7.870 -3.773 138 H ALA 17 H ALA 17 1.309 6.186 -3.771 139 HA ALA 17 HA ALA 17 1.841 8.327 -2.012 140 HB1 ALA 17 3HB ALA 17 3.658 6.040 -2.785 141 HB2 ALA 17 1HB ALA 17 2.446 6.006 -1.506 142 HB3 ALA 17 2HB ALA 17 3.839 7.078 -1.369 143 H LYS 18 H LYS 18 3.740 7.175 -4.819 144 HA LYS 18 HA LYS 18 5.617 9.263 -4.837 145 HB2 LYS 18 2HB LYS 18 4.608 7.574 -7.134 146 HB3 LYS 18 1HB LYS 18 6.040 8.594 -7.197 147 HG2 LYS 18 2HG LYS 18 7.085 7.258 -5.437 148 HG3 LYS 18 1HG LYS 18 5.643 6.245 -5.341 149 HD2 LYS 18 2HD LYS 18 7.405 6.555 -7.784 150 HD3 LYS 18 1HD LYS 18 7.454 5.198 -6.657 151 HE2 LYS 18 2HE LYS 18 5.111 4.675 -7.213 152 HE3 LYS 18 1HE LYS 18 5.095 6.009 -8.366 153 HZ1 LYS 18 3HZ LYS 18 6.851 4.892 -9.607 154 HZ2 LYS 18 1HZ LYS 18 5.481 3.911 -9.473 155 HZ3 LYS 18 2HZ LYS 18 6.835 3.605 -8.509 156 H ALA 19 H ALA 19 2.387 9.084 -6.213 157 HA ALA 19 HA ALA 19 2.608 11.601 -7.619 158 HB1 ALA 19 3HB ALA 19 0.169 9.933 -6.992 159 HB2 ALA 19 1HB ALA 19 1.150 9.822 -8.454 160 HB3 ALA 19 2HB ALA 19 0.237 11.292 -8.116 161 H GLY 20 H GLY 20 2.032 10.716 -4.376 162 HA2 GLY 20 2HA GLY 20 1.823 12.155 -2.548 163 HA3 GLY 20 1HA GLY 20 1.516 13.483 -3.653 164 H VAL 21 H VAL 21 -0.497 11.067 -4.581 165 HA VAL 21 HA VAL 21 -2.774 12.384 -3.285 166 HB VAL 21 HB VAL 21 -4.148 11.257 -5.000 167 HG11 VAL 21 1HG1 VAL 21 -1.760 12.742 -6.128 168 HG12 VAL 21 2HG1 VAL 21 -3.221 13.475 -5.464 169 HG13 VAL 21 3HG1 VAL 21 -3.312 12.515 -6.939 170 HG21 VAL 21 3HG2 VAL 21 -1.507 10.162 -5.995 171 HG22 VAL 21 1HG2 VAL 21 -3.044 10.058 -6.855 172 HG23 VAL 21 2HG2 VAL 21 -2.839 9.229 -5.313 173 H ILE 22 H ILE 22 -1.094 10.384 -1.883 174 HA ILE 22 HA ILE 22 -3.055 8.245 -1.383 175 HB ILE 22 HB ILE 22 -0.702 7.570 -1.792 176 HG12 ILE 22 2HG1 ILE 22 -1.611 7.013 1.048 177 HG13 ILE 22 1HG1 ILE 22 -2.218 6.185 -0.382 178 HG21 ILE 22 1HG2 ILE 22 -0.106 9.052 0.773 179 HG22 ILE 22 2HG2 ILE 22 0.438 9.502 -0.843 180 HG23 ILE 22 3HG2 ILE 22 1.021 8.012 -0.100 181 HD11 ILE 22 3HD1 ILE 22 0.621 6.129 0.621 182 HD12 ILE 22 1HD1 ILE 22 0.019 5.302 -0.815 183 HD13 ILE 22 2HD1 ILE 22 -0.573 4.841 0.781 184 H THR 23 H THR 23 -4.167 8.100 0.540 185 HA THR 23 HA THR 23 -4.056 10.407 2.314 186 HB THR 23 HB THR 23 -6.042 9.557 3.378 187 HG1 THR 23 HG1 THR 23 -6.878 7.453 2.518 188 HG21 THR 23 3HG2 THR 23 -7.576 9.375 1.468 189 HG22 THR 23 1HG2 THR 23 -6.204 9.097 0.395 190 HG23 THR 23 2HG2 THR 23 -6.379 10.648 1.216 191 H GLU 24 H GLU 24 -4.052 10.139 4.668 192 HA GLU 24 HA GLU 24 -1.775 8.778 5.583 193 HB2 GLU 24 2HB GLU 24 -4.094 9.733 7.279 194 HB3 GLU 24 1HB GLU 24 -2.424 9.512 7.791 195 HG2 GLU 24 2HG GLU 24 -1.734 11.305 6.247 196 HG3 GLU 24 1HG GLU 24 -3.419 11.542 5.795 197 H GLU 25 H GLU 25 -5.186 7.875 5.619 198 HA GLU 25 HA GLU 25 -4.931 5.516 7.165 199 HB2 GLU 25 2HB GLU 25 -7.114 6.496 6.792 200 HB3 GLU 25 1HB GLU 25 -6.955 6.282 5.051 201 HG2 GLU 25 2HG GLU 25 -7.001 3.867 5.312 202 HG3 GLU 25 1HG GLU 25 -7.081 4.038 7.064 203 H GLU 26 H GLU 26 -4.921 6.030 3.616 204 HA GLU 26 HA GLU 26 -4.480 3.379 2.837 205 HB2 GLU 26 2HB GLU 26 -3.543 5.945 1.538 206 HB3 GLU 26 1HB GLU 26 -3.400 4.362 0.791 207 HG2 GLU 26 2HG GLU 26 -5.869 4.136 0.909 208 HG3 GLU 26 1HG GLU 26 -5.950 5.787 1.525 209 H LYS 27 H LYS 27 -2.131 5.880 3.762 210 HA LYS 27 HA LYS 27 0.212 4.400 3.284 211 HB2 LYS 27 2HB LYS 27 -0.258 6.525 5.394 212 HB3 LYS 27 1HB LYS 27 1.315 5.959 4.843 213 HG2 LYS 27 2HG LYS 27 0.789 6.792 2.575 214 HG3 LYS 27 1HG LYS 27 -0.742 7.415 3.184 215 HD2 LYS 27 2HD LYS 27 0.831 9.226 3.105 216 HD3 LYS 27 1HD LYS 27 0.538 8.821 4.797 217 HE2 LYS 27 2HE LYS 27 2.624 7.542 4.857 218 HE3 LYS 27 1HE LYS 27 2.911 7.915 3.158 219 HZ1 LYS 27 3HZ LYS 27 2.978 10.279 3.767 220 HZ2 LYS 27 1HZ LYS 27 4.184 9.382 4.547 221 HZ3 LYS 27 2HZ LYS 27 2.803 9.863 5.395 222 H ALA 28 H ALA 28 -1.713 4.737 6.272 223 HA ALA 28 HA ALA 28 -0.219 3.055 7.925 224 HB1 ALA 28 3HB ALA 28 -2.217 2.864 9.293 225 HB2 ALA 28 1HB ALA 28 -3.218 3.434 7.956 226 HB3 ALA 28 2HB ALA 28 -2.043 4.517 8.703 227 H GLU 29 H GLU 29 -2.911 2.256 5.739 228 HA GLU 29 HA GLU 29 -3.010 -0.515 6.204 229 HB2 GLU 29 2HB GLU 29 -4.795 0.597 5.009 230 HB3 GLU 29 1HB GLU 29 -3.690 1.103 3.738 231 HG2 GLU 29 2HG GLU 29 -3.356 -1.261 3.115 232 HG3 GLU 29 1HG GLU 29 -4.511 -1.735 4.357 233 H GLN 30 H GLN 30 -1.208 1.343 3.755 234 HA GLN 30 HA GLN 30 0.024 -0.761 2.414 235 HB2 GLN 30 2HB GLN 30 0.107 1.562 1.628 236 HB3 GLN 30 1HB GLN 30 1.138 1.998 2.985 237 HG2 GLN 30 2HG GLN 30 2.872 0.464 2.130 238 HG3 GLN 30 1HG GLN 30 1.841 0.101 0.748 239 HE21 GLN 30 1HE2 GLN 30 1.606 1.637 -0.869 240 HE22 GLN 30 2HE2 GLN 30 2.618 3.030 -0.983 241 H GLN 31 H GLN 31 1.273 1.093 5.205 242 HA GLN 31 HA GLN 31 3.670 -0.279 5.592 243 HB2 GLN 31 2HB GLN 31 1.869 0.868 7.739 244 HB3 GLN 31 1HB GLN 31 3.583 0.512 7.914 245 HG2 GLN 31 2HG GLN 31 2.387 2.578 6.073 246 HG3 GLN 31 1HG GLN 31 3.164 2.898 7.620 247 HE21 GLN 31 1HE2 GLN 31 5.398 2.683 7.788 248 HE22 GLN 31 2HE2 GLN 31 6.418 2.660 6.393 249 H LYS 32 H LYS 32 0.435 -1.021 6.824 250 HA LYS 32 HA LYS 32 1.047 -3.253 8.410 251 HB2 LYS 32 2HB LYS 32 -1.127 -2.051 8.387 252 HB3 LYS 32 1HB LYS 32 -1.466 -2.720 6.799 253 HG2 LYS 32 2HG LYS 32 -1.427 -4.987 7.779 254 HG3 LYS 32 1HG LYS 32 -1.172 -4.266 9.370 255 HD2 LYS 32 2HD LYS 32 -3.303 -2.997 9.062 256 HD3 LYS 32 1HD LYS 32 -3.568 -3.894 7.566 257 HE2 LYS 32 2HE LYS 32 -4.828 -4.925 9.346 258 HE3 LYS 32 1HE LYS 32 -3.516 -6.001 8.868 259 HZ1 LYS 32 3HZ LYS 32 -2.259 -5.314 10.781 260 HZ2 LYS 32 1HZ LYS 32 -3.786 -5.828 11.289 261 HZ3 LYS 32 2HZ LYS 32 -3.433 -4.177 11.212 262 H LEU 33 H LEU 33 0.009 -3.108 5.000 263 HA LEU 33 HA LEU 33 0.172 -5.892 4.509 264 HG LEU 33 HG LEU 33 -1.786 -3.504 3.765 265 HB2 LEU 33 2HB LEU 33 0.348 -3.601 2.546 266 HB3 LEU 33 1HB LEU 33 0.043 -5.279 2.131 267 HD11 LEU 33 1HD1 LEU 33 -2.083 -4.581 0.961 268 HD12 LEU 33 2HD1 LEU 33 -1.752 -2.906 1.399 269 HD13 LEU 33 3HD1 LEU 33 -3.288 -3.645 1.846 270 HD21 LEU 33 3HD2 LEU 33 -3.381 -5.366 3.623 271 HD22 LEU 33 1HD2 LEU 33 -1.923 -5.818 4.507 272 HD23 LEU 33 2HD2 LEU 33 -2.149 -6.359 2.843 273 H ARG 34 H ARG 34 2.562 -3.320 4.300 274 HA ARG 34 HA ARG 34 4.565 -4.737 2.878 275 HE ARG 34 HE ARG 34 7.136 -1.226 2.861 276 HB2 ARG 34 2HB ARG 34 4.779 -2.465 4.869 277 HB3 ARG 34 1HB ARG 34 6.136 -3.072 3.927 278 HG2 ARG 34 2HG ARG 34 5.138 -2.379 1.879 279 HG3 ARG 34 1HG ARG 34 3.605 -2.023 2.675 280 HD2 ARG 34 2HD ARG 34 4.673 0.057 2.281 281 HD3 ARG 34 1HD ARG 34 4.817 -0.266 4.006 282 HH11 ARG 34 1HH1 ARG 34 5.538 1.810 3.160 283 HH12 ARG 34 2HH1 ARG 34 6.997 2.715 2.970 284 HH21 ARG 34 1HH2 ARG 34 9.002 -0.041 2.643 285 HH22 ARG 34 2HH2 ARG 34 8.927 1.691 2.684 286 H GLN 35 H GLN 35 3.935 -4.398 6.362 287 HA GLN 35 HA GLN 35 6.093 -6.012 7.236 288 HB2 GLN 35 2HB GLN 35 3.432 -5.417 8.554 289 HB3 GLN 35 1HB GLN 35 4.782 -6.206 9.358 290 HG2 GLN 35 2HG GLN 35 6.151 -4.230 9.102 291 HG3 GLN 35 1HG GLN 35 4.885 -3.440 8.163 292 HE21 GLN 35 1HE2 GLN 35 3.072 -2.651 9.212 293 HE22 GLN 35 2HE2 GLN 35 3.015 -2.437 10.927 294 H GLU 36 H GLU 36 2.762 -6.791 6.323 295 HA GLU 36 HA GLU 36 2.885 -9.573 6.860 296 HB2 GLU 36 2HB GLU 36 1.193 -7.953 4.947 297 HB3 GLU 36 1HB GLU 36 0.991 -9.685 5.163 298 HG2 GLU 36 2HG GLU 36 0.757 -7.672 7.393 299 HG3 GLU 36 1HG GLU 36 -0.609 -8.270 6.452 300 H TYR 37 H TYR 37 3.703 -7.654 4.013 301 HA TYR 37 HA TYR 37 4.145 -9.810 2.228 302 HD1 TYR 37 HD1 TYR 37 3.521 -9.037 -0.408 303 HD2 TYR 37 HD2 TYR 37 7.244 -7.331 0.771 304 HE1 TYR 37 HE1 TYR 37 4.455 -9.564 -2.616 305 HE2 TYR 37 HE2 TYR 37 8.184 -7.858 -1.440 306 HH TYR 37 HH TYR 37 7.784 -9.391 -3.301 307 HB2 TYR 37 2HB TYR 37 3.714 -7.450 1.547 308 HB3 TYR 37 1HB TYR 37 5.312 -7.016 2.138 309 H LEU 38 H LEU 38 6.323 -7.946 4.322 310 HA LEU 38 HA LEU 38 8.684 -9.325 3.402 311 HG LEU 38 HG LEU 38 7.973 -6.284 3.575 312 HB2 LEU 38 2HB LEU 38 8.280 -7.439 5.732 313 HB3 LEU 38 1HB LEU 38 9.836 -8.042 5.191 314 HD11 LEU 38 1HD1 LEU 38 9.679 -4.560 3.883 315 HD12 LEU 38 2HD1 LEU 38 10.599 -5.646 4.924 316 HD13 LEU 38 3HD1 LEU 38 9.007 -5.082 5.426 317 HD21 LEU 38 3HD2 LEU 38 9.249 -7.788 2.141 318 HD22 LEU 38 1HD2 LEU 38 10.747 -7.302 2.938 319 HD23 LEU 38 2HD2 LEU 38 9.834 -6.131 1.982 320 H LYS 39 H LYS 39 7.070 -9.156 6.603 321 HA LYS 39 HA LYS 39 7.158 -10.487 8.436 322 HB2 LYS 39 2HB LYS 39 7.524 -12.572 6.290 323 HB3 LYS 39 1HB LYS 39 7.491 -13.003 7.993 324 HG2 LYS 39 2HG LYS 39 5.268 -11.626 6.484 325 HG3 LYS 39 1HG LYS 39 5.321 -13.335 6.930 326 HD2 LYS 39 2HD LYS 39 5.570 -12.499 9.348 327 HD3 LYS 39 1HD LYS 39 5.056 -10.930 8.725 328 HE2 LYS 39 2HE LYS 39 3.511 -13.518 8.556 329 HE3 LYS 39 1HE LYS 39 3.164 -12.166 9.629 330 HZ1 LYS 39 3HZ LYS 39 1.736 -12.206 7.669 331 HZ2 LYS 39 1HZ LYS 39 3.085 -12.049 6.662 332 HZ3 LYS 39 2HZ LYS 39 2.666 -10.796 7.729 333 H GLY 40 H GLY 40 9.033 -9.439 9.265 334 HA2 GLY 40 2HA GLY 40 10.942 -9.843 10.558 335 HA3 GLY 40 1HA GLY 40 11.221 -11.321 9.661 336 H PHE 41 H PHE 41 11.154 -10.023 7.033 337 HA PHE 41 HA PHE 41 13.862 -9.458 6.696 338 HD1 PHE 41 HD2 PHE 41 13.972 -11.256 5.816 339 HD2 PHE 41 HD1 PHE 41 10.792 -10.068 3.238 340 HE1 PHE 41 HE2 PHE 41 13.774 -13.567 4.995 341 HE2 PHE 41 HE1 PHE 41 10.591 -12.377 2.418 342 HZ PHE 41 HZ PHE 41 12.084 -14.129 3.296 343 HB2 PHE 41 2HB PHE 41 11.550 -8.600 4.943 344 HB3 PHE 41 1HB PHE 41 13.242 -8.570 4.463 345 H ARG 42 H ARG 42 15.108 -7.722 6.973 346 HA ARG 42 HA ARG 42 15.851 -5.600 7.199 347 HE ARG 42 HE ARG 42 15.764 -2.997 2.882 348 HB2 ARG 42 2HB ARG 42 13.122 -4.977 6.109 349 HB3 ARG 42 1HB ARG 42 14.193 -3.688 6.642 350 HG2 ARG 42 2HG ARG 42 15.867 -4.344 5.035 351 HG3 ARG 42 1HG ARG 42 14.918 -5.756 4.569 352 HD2 ARG 42 2HD ARG 42 13.276 -4.440 3.517 353 HD3 ARG 42 1HD ARG 42 13.826 -2.967 4.312 354 HH11 ARG 42 1HH1 ARG 42 13.282 -5.204 1.971 355 HH12 ARG 42 2HH1 ARG 42 13.741 -5.193 0.307 356 HH21 ARG 42 1HH2 ARG 42 16.341 -2.987 0.763 357 HH22 ARG 42 2HH2 ARG 42 15.470 -3.964 -0.370 358 H SER 43 H SER 43 12.493 -5.657 8.499 359 HA SER 43 HA SER 43 13.005 -3.813 10.565 360 HG SER 43 HG SER 43 9.821 -6.368 10.614 361 HB2 SER 43 2HB SER 43 10.913 -4.596 11.579 362 HB3 SER 43 1HB SER 43 10.720 -4.402 9.839 363 H SER 44 H SER 44 13.427 -7.289 10.406 364 HA SER 44 HA SER 44 14.450 -8.808 11.761 365 HG SER 44 HG SER 44 17.039 -7.701 14.004 366 HB2 SER 44 2HB SER 44 16.354 -7.240 11.571 367 HB3 SER 44 1HB SER 44 15.770 -6.361 12.980 368 H MET 45 H MET 45 11.941 -7.316 12.668 369 HA MET 45 HA MET 45 11.987 -7.186 15.514 370 HB2 MET 45 2HB MET 45 10.376 -5.917 14.168 371 HB3 MET 45 1HB MET 45 9.650 -7.414 13.597 372 HG2 MET 45 2HG MET 45 8.286 -6.425 15.326 373 HG3 MET 45 1HG MET 45 8.966 -7.954 15.886 374 HE1 MET 45 3HE MET 45 8.478 -7.427 18.429 375 HE2 MET 45 1HE MET 45 7.672 -5.947 17.902 376 HE3 MET 45 2HE MET 45 8.874 -5.887 19.193 377 H LYS 46 H LYS 46 11.822 -8.781 16.977 378 HA LYS 46 HA LYS 46 11.356 -11.515 16.114 379 HB2 LYS 46 2HB LYS 46 12.186 -10.285 18.741 380 HB3 LYS 46 1HB LYS 46 11.757 -11.984 18.621 381 HG2 LYS 46 2HG LYS 46 14.139 -11.776 18.503 382 HG3 LYS 46 1HG LYS 46 13.533 -12.280 16.926 383 HD2 LYS 46 2HD LYS 46 13.681 -9.924 16.160 384 HD3 LYS 46 1HD LYS 46 14.382 -9.488 17.721 385 HE2 LYS 46 2HE LYS 46 16.264 -10.999 17.295 386 HE3 LYS 46 1HE LYS 46 15.560 -11.450 15.741 387 HZ1 LYS 46 3HZ LYS 46 17.223 -9.815 15.360 388 HZ2 LYS 46 1HZ LYS 46 16.589 -8.780 16.537 389 HZ3 LYS 46 2HZ LYS 46 15.729 -9.068 15.108 390 H LEU 47 H LEU 47 9.054 -9.972 15.781 391 HA LEU 47 HA LEU 47 7.218 -10.307 17.940 392 HG LEU 47 HG LEU 47 4.619 -10.625 16.178 393 HB2 LEU 47 2HB LEU 47 6.900 -8.624 16.173 394 HB3 LEU 47 1HB LEU 47 6.674 -9.899 14.993 395 HD11 LEU 47 1HD1 LEU 47 3.647 -9.127 17.894 396 HD12 LEU 47 2HD1 LEU 47 5.163 -8.224 17.931 397 HD13 LEU 47 3HD1 LEU 47 5.128 -9.916 18.428 398 HD21 LEU 47 3HD2 LEU 47 4.662 -7.703 15.400 399 HD22 LEU 47 1HD2 LEU 47 3.221 -8.712 15.527 400 HD23 LEU 47 2HD2 LEU 47 4.443 -9.070 14.308 401 H GLU 48 H GLU 48 7.446 -12.464 18.581 402 HA GLU 48 HA GLU 48 6.051 -14.435 16.928 403 HB2 GLU 48 2HB GLU 48 8.381 -14.664 16.253 404 HB3 GLU 48 1HB GLU 48 8.886 -14.806 17.932 405 HG2 GLU 48 2HG GLU 48 7.598 -16.900 18.115 406 HG3 GLU 48 1HG GLU 48 7.172 -16.761 16.410 Start of MODEL 14 1 HA MET 1 HA MET 1 -0.221 -12.892 5.999 2 H1 MET 1 1H MET 1 -2.071 -13.067 7.522 3 H2 MET 1 2H MET 1 -3.157 -12.675 6.288 4 H3 MET 1 3H MET 1 -2.014 -11.539 6.801 5 HB2 MET 1 2HB MET 1 -1.277 -15.072 6.366 6 HB3 MET 1 1HB MET 1 -2.422 -14.755 5.067 7 HG2 MET 1 2HG MET 1 -0.527 -16.257 4.451 8 HG3 MET 1 1HG MET 1 -0.697 -14.831 3.423 9 HE1 MET 1 3HE MET 1 1.789 -15.209 2.495 10 HE2 MET 1 1HE MET 1 1.943 -16.632 3.520 11 HE3 MET 1 2HE MET 1 3.197 -15.392 3.541 12 H ILE 2 H ILE 2 0.600 -12.545 3.912 13 HA ILE 2 HA ILE 2 -0.679 -10.481 2.444 14 HB ILE 2 HB ILE 2 1.783 -10.742 2.626 15 HG12 ILE 2 2HG1 ILE 2 2.289 -10.248 0.186 16 HG13 ILE 2 1HG1 ILE 2 0.603 -10.618 -0.162 17 HG21 ILE 2 1HG2 ILE 2 2.951 -12.328 1.164 18 HG22 ILE 2 2HG2 ILE 2 1.405 -13.031 0.696 19 HG23 ILE 2 3HG2 ILE 2 1.956 -13.148 2.367 20 HD11 ILE 2 3HD1 ILE 2 0.967 -8.233 0.006 21 HD12 ILE 2 1HD1 ILE 2 1.598 -8.426 1.642 22 HD13 ILE 2 2HD1 ILE 2 -0.094 -8.793 1.300 23 H SER 3 H SER 3 -1.550 -10.468 0.350 24 HA SER 3 HA SER 3 -2.051 -13.052 -0.975 25 HG SER 3 HG SER 3 -5.179 -10.545 -0.212 26 HB2 SER 3 2HB SER 3 -4.379 -12.490 -1.381 27 HB3 SER 3 1HB SER 3 -4.081 -12.376 0.353 28 H ASN 4 H ASN 4 -2.778 -12.741 -3.279 29 HA ASN 4 HA ASN 4 -1.110 -10.955 -4.680 30 HB2 ASN 4 2HB ASN 4 -3.647 -12.252 -5.716 31 HB3 ASN 4 1HB ASN 4 -2.323 -11.620 -6.688 32 HD21 ASN 4 1HD2 ASN 4 -3.438 -14.219 -4.732 33 HD22 ASN 4 2HD2 ASN 4 -2.129 -15.298 -5.053 34 H ALA 5 H ALA 5 -4.480 -10.694 -3.660 35 HA ALA 5 HA ALA 5 -5.101 -8.240 -4.903 36 HB1 ALA 5 3HB ALA 5 -6.908 -8.064 -3.260 37 HB2 ALA 5 1HB ALA 5 -6.177 -9.354 -2.306 38 HB3 ALA 5 2HB ALA 5 -6.803 -9.695 -3.919 39 H LYS 6 H LYS 6 -3.725 -8.947 -1.684 40 HA LYS 6 HA LYS 6 -3.467 -6.282 -0.809 41 HB2 LYS 6 2HB LYS 6 -1.883 -8.758 -0.117 42 HB3 LYS 6 1HB LYS 6 -1.626 -7.207 0.671 43 HG2 LYS 6 2HG LYS 6 -3.975 -7.227 1.423 44 HG3 LYS 6 1HG LYS 6 -4.170 -8.825 0.696 45 HD2 LYS 6 2HD LYS 6 -2.466 -9.737 2.180 46 HD3 LYS 6 1HD LYS 6 -2.170 -8.135 2.859 47 HE2 LYS 6 2HE LYS 6 -4.745 -9.700 3.049 48 HE3 LYS 6 1HE LYS 6 -3.570 -9.472 4.344 49 HZ1 LYS 6 3HZ LYS 6 -5.141 -7.319 3.029 50 HZ2 LYS 6 1HZ LYS 6 -4.005 -7.093 4.261 51 HZ3 LYS 6 2HZ LYS 6 -5.425 -7.953 4.569 52 H ILE 7 H ILE 7 -1.167 -8.364 -2.573 53 HA ILE 7 HA ILE 7 0.945 -6.522 -2.771 54 HB ILE 7 HB ILE 7 0.159 -8.668 -4.766 55 HG12 ILE 7 2HG1 ILE 7 2.154 -8.750 -2.476 56 HG13 ILE 7 1HG1 ILE 7 0.569 -9.516 -2.467 57 HG21 ILE 7 1HG2 ILE 7 2.495 -8.565 -5.516 58 HG22 ILE 7 2HG2 ILE 7 2.792 -7.223 -4.408 59 HG23 ILE 7 3HG2 ILE 7 1.674 -7.022 -5.757 60 HD11 ILE 7 3HD1 ILE 7 2.837 -10.191 -4.325 61 HD12 ILE 7 1HD1 ILE 7 1.254 -10.970 -4.288 62 HD13 ILE 7 2HD1 ILE 7 2.341 -11.116 -2.906 63 H ALA 8 H ALA 8 -1.840 -7.072 -4.913 64 HA ALA 8 HA ALA 8 -1.310 -5.111 -6.835 65 HB1 ALA 8 3HB ALA 8 -4.005 -5.974 -5.763 66 HB2 ALA 8 1HB ALA 8 -3.104 -6.767 -7.059 67 HB3 ALA 8 2HB ALA 8 -3.717 -5.127 -7.286 68 H ARG 9 H ARG 9 -3.036 -4.833 -3.726 69 HA ARG 9 HA ARG 9 -3.583 -2.070 -3.884 70 HE ARG 9 HE ARG 9 -6.629 -1.648 -0.482 71 HB2 ARG 9 2HB ARG 9 -4.676 -3.578 -2.261 72 HB3 ARG 9 1HB ARG 9 -3.152 -3.765 -1.405 73 HG2 ARG 9 2HG ARG 9 -4.456 -2.201 -0.186 74 HG3 ARG 9 1HG ARG 9 -3.173 -1.296 -0.988 75 HD2 ARG 9 2HD ARG 9 -4.937 0.064 -1.491 76 HD3 ARG 9 1HD ARG 9 -5.047 -1.033 -2.864 77 HH11 ARG 9 1HH1 ARG 9 -6.520 -0.633 -3.764 78 HH12 ARG 9 2HH1 ARG 9 -8.238 -0.667 -3.950 79 HH21 ARG 9 1HH2 ARG 9 -8.845 -1.687 -0.727 80 HH22 ARG 9 2HH2 ARG 9 -9.533 -1.257 -2.255 81 H ILE 10 H ILE 10 -0.728 -3.827 -2.707 82 HA ILE 10 HA ILE 10 0.722 -1.665 -1.660 83 HB ILE 10 HB ILE 10 1.699 -4.186 -3.024 84 HG12 ILE 10 2HG1 ILE 10 1.700 -3.382 -0.097 85 HG13 ILE 10 1HG1 ILE 10 0.491 -4.424 -0.848 86 HG21 ILE 10 1HG2 ILE 10 3.927 -3.693 -2.074 87 HG22 ILE 10 2HG2 ILE 10 3.346 -2.103 -1.578 88 HG23 ILE 10 3HG2 ILE 10 3.433 -2.514 -3.289 89 HD11 ILE 10 3HD1 ILE 10 2.148 -5.713 0.365 90 HD12 ILE 10 1HD1 ILE 10 3.436 -5.014 -0.616 91 HD13 ILE 10 2HD1 ILE 10 2.226 -6.061 -1.361 92 H ASN 11 H ASN 11 0.949 -3.055 -4.964 93 HA ASN 11 HA ASN 11 2.637 -1.131 -6.076 94 HB2 ASN 11 2HB ASN 11 0.449 -2.760 -7.389 95 HB3 ASN 11 1HB ASN 11 1.612 -1.791 -8.285 96 HD21 ASN 11 1HD2 ASN 11 1.091 -4.683 -6.493 97 HD22 ASN 11 2HD2 ASN 11 2.625 -5.404 -6.817 98 H GLU 12 H GLU 12 -0.862 -1.085 -5.663 99 HA GLU 12 HA GLU 12 -1.406 1.278 -7.118 100 HB2 GLU 12 2HB GLU 12 -3.147 -0.341 -6.463 101 HB3 GLU 12 1HB GLU 12 -2.901 0.075 -4.773 102 HG2 GLU 12 2HG GLU 12 -4.860 1.193 -5.505 103 HG3 GLU 12 1HG GLU 12 -3.601 2.409 -5.322 104 H LEU 13 H LEU 13 -1.296 0.852 -3.560 105 HA LEU 13 HA LEU 13 -1.454 3.556 -2.902 106 HG LEU 13 HG LEU 13 -2.572 0.881 -1.666 107 HB2 LEU 13 2HB LEU 13 -0.196 1.288 -1.357 108 HB3 LEU 13 1HB LEU 13 -0.522 2.876 -0.687 109 HD11 LEU 13 1HD1 LEU 13 -2.017 1.949 1.104 110 HD12 LEU 13 2HD1 LEU 13 -1.601 0.340 0.517 111 HD13 LEU 13 3HD1 LEU 13 -3.292 0.815 0.661 112 HD21 LEU 13 3HD2 LEU 13 -3.298 3.130 -2.224 113 HD22 LEU 13 1HD2 LEU 13 -2.978 3.666 -0.574 114 HD23 LEU 13 2HD2 LEU 13 -4.255 2.492 -0.888 115 H ALA 14 H ALA 14 1.438 1.560 -3.454 116 HA ALA 14 HA ALA 14 3.387 3.444 -2.749 117 HB1 ALA 14 3HB ALA 14 3.896 1.087 -3.234 118 HB2 ALA 14 1HB ALA 14 4.916 2.173 -4.177 119 HB3 ALA 14 2HB ALA 14 3.552 1.361 -4.941 120 H ALA 15 H ALA 15 1.778 2.896 -5.886 121 HA ALA 15 HA ALA 15 3.057 4.981 -7.304 122 HB1 ALA 15 3HB ALA 15 0.323 3.774 -7.750 123 HB2 ALA 15 1HB ALA 15 1.839 3.181 -8.423 124 HB3 ALA 15 2HB ALA 15 1.216 4.756 -8.909 125 H LYS 16 H LYS 16 0.063 4.888 -5.398 126 HA LYS 16 HA LYS 16 -0.759 7.548 -5.863 127 HB2 LYS 16 2HB LYS 16 -1.297 5.822 -3.427 128 HB3 LYS 16 1HB LYS 16 -2.199 7.262 -3.890 129 HG2 LYS 16 2HG LYS 16 -2.948 6.156 -5.935 130 HG3 LYS 16 1HG LYS 16 -2.008 4.728 -5.516 131 HD2 LYS 16 2HD LYS 16 -4.149 4.139 -4.854 132 HD3 LYS 16 1HD LYS 16 -3.434 4.710 -3.348 133 HE2 LYS 16 2HE LYS 16 -5.044 6.525 -5.129 134 HE3 LYS 16 1HE LYS 16 -5.810 5.485 -3.935 135 HZ1 LYS 16 3HZ LYS 16 -5.388 7.767 -3.154 136 HZ2 LYS 16 1HZ LYS 16 -3.728 7.495 -3.286 137 HZ3 LYS 16 2HZ LYS 16 -4.649 6.591 -2.192 138 H ALA 17 H ALA 17 1.514 6.162 -3.558 139 HA ALA 17 HA ALA 17 1.947 8.542 -2.047 140 HB1 ALA 17 3HB ALA 17 3.953 7.426 -1.207 141 HB2 ALA 17 1HB ALA 17 3.793 6.181 -2.447 142 HB3 ALA 17 2HB ALA 17 2.568 6.333 -1.186 143 H LYS 18 H LYS 18 3.574 7.094 -4.846 144 HA LYS 18 HA LYS 18 5.573 9.015 -5.253 145 HB2 LYS 18 2HB LYS 18 5.499 6.853 -6.425 146 HB3 LYS 18 1HB LYS 18 4.074 7.371 -7.310 147 HG2 LYS 18 2HG LYS 18 5.397 9.148 -8.380 148 HG3 LYS 18 1HG LYS 18 6.827 8.585 -7.511 149 HD2 LYS 18 2HD LYS 18 5.207 6.978 -9.499 150 HD3 LYS 18 1HD LYS 18 6.776 7.721 -9.810 151 HE2 LYS 18 2HE LYS 18 7.809 6.289 -8.118 152 HE3 LYS 18 1HE LYS 18 6.236 5.580 -7.747 153 HZ1 LYS 18 3HZ LYS 18 6.140 4.731 -10.017 154 HZ2 LYS 18 1HZ LYS 18 7.498 4.148 -9.197 155 HZ3 LYS 18 2HZ LYS 18 7.671 5.376 -10.337 156 H ALA 19 H ALA 19 2.235 8.902 -6.455 157 HA ALA 19 HA ALA 19 2.408 11.444 -7.812 158 HB1 ALA 19 3HB ALA 19 -0.005 9.744 -7.168 159 HB2 ALA 19 1HB ALA 19 0.958 9.652 -8.644 160 HB3 ALA 19 2HB ALA 19 0.035 11.113 -8.282 161 H GLY 20 H GLY 20 1.943 10.546 -4.571 162 HA2 GLY 20 2HA GLY 20 1.618 11.882 -2.710 163 HA3 GLY 20 1HA GLY 20 1.461 13.266 -3.779 164 H VAL 21 H VAL 21 -0.606 10.617 -4.449 165 HA VAL 21 HA VAL 21 -2.909 12.108 -3.367 166 HB VAL 21 HB VAL 21 -4.292 10.784 -4.916 167 HG11 VAL 21 1HG1 VAL 21 -3.405 12.924 -5.660 168 HG12 VAL 21 2HG1 VAL 21 -3.491 11.792 -7.008 169 HG13 VAL 21 3HG1 VAL 21 -1.938 12.138 -6.243 170 HG21 VAL 21 3HG2 VAL 21 -2.944 8.739 -4.990 171 HG22 VAL 21 1HG2 VAL 21 -1.674 9.597 -5.861 172 HG23 VAL 21 2HG2 VAL 21 -3.250 9.353 -6.614 173 H ILE 22 H ILE 22 -1.107 10.197 -1.863 174 HA ILE 22 HA ILE 22 -3.040 8.124 -1.086 175 HB ILE 22 HB ILE 22 -0.700 7.449 -1.559 176 HG12 ILE 22 2HG1 ILE 22 -1.498 7.055 1.340 177 HG13 ILE 22 1HG1 ILE 22 -2.135 6.138 -0.020 178 HG21 ILE 22 1HG2 ILE 22 -0.005 9.082 0.888 179 HG22 ILE 22 2HG2 ILE 22 0.450 9.450 -0.776 180 HG23 ILE 22 3HG2 ILE 22 1.093 8.012 0.014 181 HD11 ILE 22 3HD1 ILE 22 0.741 6.184 0.867 182 HD12 ILE 22 1HD1 ILE 22 0.080 5.244 -0.471 183 HD13 ILE 22 2HD1 ILE 22 -0.424 4.900 1.184 184 H THR 23 H THR 23 -4.127 8.190 0.825 185 HA THR 23 HA THR 23 -3.841 10.575 2.493 186 HB THR 23 HB THR 23 -5.951 9.879 3.542 187 HG1 THR 23 HG1 THR 23 -6.267 7.784 1.701 188 HG21 THR 23 3HG2 THR 23 -6.091 11.219 1.508 189 HG22 THR 23 1HG2 THR 23 -7.414 10.053 1.554 190 HG23 THR 23 2HG2 THR 23 -6.018 9.761 0.517 191 H GLU 24 H GLU 24 -4.099 10.320 4.886 192 HA GLU 24 HA GLU 24 -2.006 8.926 6.046 193 HB2 GLU 24 2HB GLU 24 -4.577 9.710 7.449 194 HB3 GLU 24 1HB GLU 24 -3.007 9.446 8.202 195 HG2 GLU 24 2HG GLU 24 -2.105 11.354 6.922 196 HG3 GLU 24 1HG GLU 24 -3.709 11.637 6.255 197 H GLU 25 H GLU 25 -5.430 7.952 5.935 198 HA GLU 25 HA GLU 25 -5.237 5.528 7.319 199 HB2 GLU 25 2HB GLU 25 -7.365 6.644 6.682 200 HB3 GLU 25 1HB GLU 25 -7.073 6.209 5.006 201 HG2 GLU 25 2HG GLU 25 -8.654 4.671 5.864 202 HG3 GLU 25 1HG GLU 25 -7.127 3.806 5.703 203 H GLU 26 H GLU 26 -4.965 6.163 3.812 204 HA GLU 26 HA GLU 26 -4.469 3.514 3.005 205 HB2 GLU 26 2HB GLU 26 -3.584 6.109 1.728 206 HB3 GLU 26 1HB GLU 26 -3.526 4.534 0.947 207 HG2 GLU 26 2HG GLU 26 -5.959 4.361 1.117 208 HG3 GLU 26 1HG GLU 26 -6.016 5.939 1.902 209 H LYS 27 H LYS 27 -2.214 6.085 3.994 210 HA LYS 27 HA LYS 27 0.193 4.729 3.446 211 HB2 LYS 27 2HB LYS 27 -0.396 6.793 5.593 212 HB3 LYS 27 1HB LYS 27 1.216 6.270 5.121 213 HG2 LYS 27 2HG LYS 27 0.835 7.134 2.858 214 HG3 LYS 27 1HG LYS 27 -0.781 7.652 3.332 215 HD2 LYS 27 2HD LYS 27 0.679 9.560 3.396 216 HD3 LYS 27 1HD LYS 27 0.252 9.132 5.053 217 HE2 LYS 27 2HE LYS 27 2.397 8.058 5.375 218 HE3 LYS 27 1HE LYS 27 2.819 8.317 3.680 219 HZ1 LYS 27 3HZ LYS 27 2.370 10.448 5.702 220 HZ2 LYS 27 1HZ LYS 27 2.758 10.706 4.075 221 HZ3 LYS 27 2HZ LYS 27 3.871 9.956 5.104 222 H ALA 28 H ALA 28 -1.912 4.702 6.291 223 HA ALA 28 HA ALA 28 -0.281 3.103 7.961 224 HB1 ALA 28 3HB ALA 28 -2.173 4.444 8.790 225 HB2 ALA 28 1HB ALA 28 -2.288 2.758 9.296 226 HB3 ALA 28 2HB ALA 28 -3.293 3.354 7.975 227 H GLU 29 H GLU 29 -2.895 2.242 5.685 228 HA GLU 29 HA GLU 29 -2.757 -0.548 6.150 229 HB2 GLU 29 2HB GLU 29 -4.715 0.454 5.103 230 HB3 GLU 29 1HB GLU 29 -3.752 0.961 3.723 231 HG2 GLU 29 2HG GLU 29 -5.087 -0.987 3.170 232 HG3 GLU 29 1HG GLU 29 -3.371 -1.372 3.108 233 H GLN 30 H GLN 30 -1.115 1.530 3.729 234 HA GLN 30 HA GLN 30 0.142 -0.505 2.275 235 HB2 GLN 30 2HB GLN 30 0.187 1.819 1.513 236 HB3 GLN 30 1HB GLN 30 1.195 2.274 2.884 237 HG2 GLN 30 2HG GLN 30 3.011 0.902 2.057 238 HG3 GLN 30 1HG GLN 30 2.006 0.312 0.738 239 HE21 GLN 30 1HE2 GLN 30 2.026 3.654 1.774 240 HE22 GLN 30 2HE2 GLN 30 2.786 4.272 0.361 241 H GLN 31 H GLN 31 1.191 1.105 5.256 242 HA GLN 31 HA GLN 31 3.621 -0.246 5.659 243 HB2 GLN 31 2HB GLN 31 2.914 1.667 7.017 244 HB3 GLN 31 1HB GLN 31 1.573 0.739 7.672 245 HG2 GLN 31 2HG GLN 31 3.210 -0.800 8.724 246 HG3 GLN 31 1HG GLN 31 4.510 0.241 8.137 247 HE21 GLN 31 1HE2 GLN 31 5.196 0.693 10.233 248 HE22 GLN 31 2HE2 GLN 31 4.319 1.751 11.279 249 H LYS 32 H LYS 32 0.380 -1.019 6.873 250 HA LYS 32 HA LYS 32 0.889 -3.496 8.034 251 HB2 LYS 32 2HB LYS 32 -1.141 -2.385 8.506 252 HB3 LYS 32 1HB LYS 32 -1.561 -2.241 6.811 253 HG2 LYS 32 2HG LYS 32 -2.130 -4.549 6.673 254 HG3 LYS 32 1HG LYS 32 -1.454 -4.876 8.273 255 HD2 LYS 32 2HD LYS 32 -3.196 -3.756 9.373 256 HD3 LYS 32 1HD LYS 32 -3.675 -2.877 7.921 257 HE2 LYS 32 2HE LYS 32 -3.951 -5.869 8.194 258 HE3 LYS 32 1HE LYS 32 -5.221 -4.739 8.663 259 HZ1 LYS 32 3HZ LYS 32 -4.046 -4.986 5.947 260 HZ2 LYS 32 1HZ LYS 32 -5.254 -3.891 6.399 261 HZ3 LYS 32 2HZ LYS 32 -5.565 -5.555 6.425 262 H LEU 33 H LEU 33 0.198 -2.714 4.658 263 HA LEU 33 HA LEU 33 -0.072 -5.360 3.683 264 HG LEU 33 HG LEU 33 -1.634 -2.880 3.083 265 HB2 LEU 33 2HB LEU 33 0.763 -2.803 2.311 266 HB3 LEU 33 1HB LEU 33 0.482 -4.310 1.463 267 HD11 LEU 33 1HD1 LEU 33 -2.532 -2.116 0.962 268 HD12 LEU 33 2HD1 LEU 33 -1.192 -2.868 0.095 269 HD13 LEU 33 3HD1 LEU 33 -0.891 -1.511 1.185 270 HD21 LEU 33 3HD2 LEU 33 -3.171 -4.349 1.859 271 HD22 LEU 33 1HD2 LEU 33 -2.023 -5.275 2.827 272 HD23 LEU 33 2HD2 LEU 33 -1.797 -5.139 1.084 273 H ARG 34 H ARG 34 2.715 -3.166 3.894 274 HA ARG 34 HA ARG 34 4.517 -4.911 2.567 275 HE ARG 34 HE ARG 34 4.379 -0.040 3.483 276 HB2 ARG 34 2HB ARG 34 4.974 -2.530 4.370 277 HB3 ARG 34 1HB ARG 34 6.279 -3.383 3.549 278 HG2 ARG 34 2HG ARG 34 5.281 -2.860 1.380 279 HG3 ARG 34 1HG ARG 34 3.941 -2.040 2.180 280 HD2 ARG 34 2HD ARG 34 6.833 -1.221 2.429 281 HD3 ARG 34 1HD ARG 34 5.699 -0.514 1.284 282 HH11 ARG 34 1HH1 ARG 34 7.786 0.193 3.036 283 HH12 ARG 34 2HH1 ARG 34 7.963 1.472 4.184 284 HH21 ARG 34 1HH2 ARG 34 4.624 1.614 4.953 285 HH22 ARG 34 2HH2 ARG 34 6.207 2.229 5.285 286 H GLN 35 H GLN 35 3.749 -4.434 6.010 287 HA GLN 35 HA GLN 35 5.615 -6.295 7.033 288 HB2 GLN 35 2HB GLN 35 3.075 -5.092 8.029 289 HB3 GLN 35 1HB GLN 35 3.619 -6.564 8.820 290 HG2 GLN 35 2HG GLN 35 4.358 -4.494 9.955 291 HG3 GLN 35 1HG GLN 35 5.685 -5.544 9.465 292 HE21 GLN 35 1HE2 GLN 35 7.111 -4.837 7.890 293 HE22 GLN 35 2HE2 GLN 35 7.152 -3.203 7.333 294 H GLU 36 H GLU 36 2.434 -6.735 5.578 295 HA GLU 36 HA GLU 36 2.291 -9.563 5.961 296 HB2 GLU 36 2HB GLU 36 1.009 -7.759 3.894 297 HB3 GLU 36 1HB GLU 36 0.632 -9.468 4.074 298 HG2 GLU 36 2HG GLU 36 0.298 -7.482 6.309 299 HG3 GLU 36 1HG GLU 36 -0.965 -7.818 5.129 300 H TYR 37 H TYR 37 3.553 -7.499 3.394 301 HA TYR 37 HA TYR 37 4.184 -9.507 1.516 302 HD1 TYR 37 HD1 TYR 37 3.924 -8.129 -1.146 303 HD2 TYR 37 HD2 TYR 37 7.624 -7.389 0.837 304 HE1 TYR 37 HE1 TYR 37 5.123 -8.455 -3.266 305 HE2 TYR 37 HE2 TYR 37 8.830 -7.724 -1.281 306 HH TYR 37 HH TYR 37 7.321 -7.718 -4.272 307 HB2 TYR 37 2HB TYR 37 3.990 -7.059 1.056 308 HB3 TYR 37 1HB TYR 37 5.512 -6.807 1.896 309 H LEU 38 H LEU 38 5.960 -8.175 4.246 310 HA LEU 38 HA LEU 38 8.390 -9.643 3.612 311 HG LEU 38 HG LEU 38 7.895 -6.578 3.967 312 HB2 LEU 38 2HB LEU 38 7.665 -7.948 6.009 313 HB3 LEU 38 1HB LEU 38 9.248 -8.646 5.715 314 HD11 LEU 38 1HD1 LEU 38 9.570 -5.036 4.824 315 HD12 LEU 38 2HD1 LEU 38 10.213 -6.295 5.876 316 HD13 LEU 38 3HD1 LEU 38 8.582 -5.680 6.136 317 HD21 LEU 38 3HD2 LEU 38 10.663 -7.786 3.817 318 HD22 LEU 38 1HD2 LEU 38 10.080 -6.435 2.840 319 HD23 LEU 38 2HD2 LEU 38 9.351 -8.030 2.662 320 H LYS 39 H LYS 39 6.155 -9.583 6.416 321 HA LYS 39 HA LYS 39 5.766 -11.061 8.094 322 HB2 LYS 39 2HB LYS 39 6.249 -13.020 5.841 323 HB3 LYS 39 1HB LYS 39 5.663 -13.497 7.426 324 HG2 LYS 39 2HG LYS 39 4.152 -11.373 5.994 325 HG3 LYS 39 1HG LYS 39 4.037 -13.016 5.372 326 HD2 LYS 39 2HD LYS 39 2.216 -12.704 6.883 327 HD3 LYS 39 1HD LYS 39 3.380 -13.757 7.680 328 HE2 LYS 39 2HE LYS 39 2.580 -12.174 9.287 329 HE3 LYS 39 1HE LYS 39 4.248 -11.762 8.903 330 HZ1 LYS 39 3HZ LYS 39 3.493 -9.994 7.497 331 HZ2 LYS 39 1HZ LYS 39 2.748 -9.831 9.007 332 HZ3 LYS 39 2HZ LYS 39 1.877 -10.449 7.699 333 H GLY 40 H GLY 40 8.005 -10.074 8.716 334 HA2 GLY 40 2HA GLY 40 9.572 -10.856 10.365 335 HA3 GLY 40 1HA GLY 40 9.734 -12.349 9.456 336 H PHE 41 H PHE 41 9.986 -10.844 6.871 337 HA PHE 41 HA PHE 41 12.815 -10.570 6.885 338 HD1 PHE 41 HD1 PHE 41 13.464 -12.183 5.769 339 HD2 PHE 41 HD2 PHE 41 9.953 -11.492 3.450 340 HE1 PHE 41 HE1 PHE 41 13.456 -14.542 5.080 341 HE2 PHE 41 HE2 PHE 41 9.945 -13.855 2.761 342 HZ PHE 41 HZ PHE 41 11.696 -15.380 3.576 343 HB2 PHE 41 2HB PHE 41 10.780 -9.781 4.789 344 HB3 PHE 41 1HB PHE 41 12.523 -9.726 4.544 345 H ARG 42 H ARG 42 14.007 -8.634 6.124 346 HA ARG 42 HA ARG 42 13.185 -6.316 7.720 347 HE ARG 42 HE ARG 42 16.782 -8.964 10.220 348 HB2 ARG 42 2HB ARG 42 15.835 -6.932 6.393 349 HB3 ARG 42 1HB ARG 42 15.526 -5.631 7.536 350 HG2 ARG 42 2HG ARG 42 15.110 -7.237 9.307 351 HG3 ARG 42 1HG ARG 42 15.304 -8.576 8.171 352 HD2 ARG 42 2HD ARG 42 17.632 -7.890 7.779 353 HD3 ARG 42 1HD ARG 42 17.436 -6.568 8.929 354 HH11 ARG 42 1HH1 ARG 42 19.542 -7.506 8.772 355 HH12 ARG 42 2HH1 ARG 42 20.649 -8.171 9.922 356 HH21 ARG 42 1HH2 ARG 42 18.206 -9.866 11.662 357 HH22 ARG 42 2HH2 ARG 42 19.895 -9.512 11.542 358 H SER 43 H SER 43 12.515 -4.431 6.828 359 HA SER 43 HA SER 43 12.629 -4.100 3.927 360 HG SER 43 HG SER 43 11.875 -1.597 6.459 361 HB2 SER 43 2HB SER 43 11.192 -2.094 4.333 362 HB3 SER 43 1HB SER 43 10.496 -3.585 4.959 363 H SER 44 H SER 44 15.050 -3.964 4.166 364 HA SER 44 HA SER 44 16.062 -1.393 5.116 365 HG SER 44 HG SER 44 18.270 -3.868 3.155 366 HB2 SER 44 2HB SER 44 18.303 -2.352 4.618 367 HB3 SER 44 1HB SER 44 17.359 -3.371 5.704 368 H MET 45 H MET 45 15.994 0.297 3.793 369 HA MET 45 HA MET 45 15.820 -0.114 0.899 370 HB2 MET 45 2HB MET 45 15.410 2.388 2.552 371 HB3 MET 45 1HB MET 45 15.123 2.248 0.826 372 HG2 MET 45 2HG MET 45 13.671 0.575 2.864 373 HG3 MET 45 1HG MET 45 13.093 2.144 2.314 374 HE1 MET 45 3HE MET 45 13.298 -1.640 1.628 375 HE2 MET 45 1HE MET 45 14.604 -1.153 0.548 376 HE3 MET 45 2HE MET 45 13.095 -1.777 -0.121 377 H LYS 46 H LYS 46 17.047 1.137 -0.614 378 HA LYS 46 HA LYS 46 19.819 1.522 0.179 379 HB2 LYS 46 2HB LYS 46 18.485 1.892 -2.515 380 HB3 LYS 46 1HB LYS 46 20.219 1.822 -2.221 381 HG2 LYS 46 2HG LYS 46 18.323 -0.447 -1.620 382 HG3 LYS 46 1HG LYS 46 19.214 -0.281 -3.132 383 HD2 LYS 46 2HD LYS 46 20.529 -0.404 -0.413 384 HD3 LYS 46 1HD LYS 46 20.267 -1.814 -1.440 385 HE2 LYS 46 2HE LYS 46 21.882 0.634 -2.176 386 HE3 LYS 46 1HE LYS 46 22.542 -0.928 -1.691 387 HZ1 LYS 46 3HZ LYS 46 21.468 -1.914 -3.643 388 HZ2 LYS 46 1HZ LYS 46 22.577 -0.713 -4.075 389 HZ3 LYS 46 2HZ LYS 46 20.921 -0.387 -4.122 390 H LEU 47 H LEU 47 17.109 3.455 0.180 391 HA LEU 47 HA LEU 47 18.380 5.934 -0.641 392 HG LEU 47 HG LEU 47 14.988 7.410 -0.954 393 HB2 LEU 47 2HB LEU 47 15.913 5.234 -0.988 394 HB3 LEU 47 1HB LEU 47 15.687 5.646 0.697 395 HD11 LEU 47 1HD1 LEU 47 15.402 7.986 1.370 396 HD12 LEU 47 2HD1 LEU 47 15.914 9.289 0.294 397 HD13 LEU 47 3HD1 LEU 47 17.116 8.222 1.022 398 HD21 LEU 47 3HD2 LEU 47 16.704 8.784 -2.001 399 HD22 LEU 47 1HD2 LEU 47 16.802 7.116 -2.561 400 HD23 LEU 47 2HD2 LEU 47 17.964 7.717 -1.377 401 H GLU 48 H GLU 48 19.121 7.525 0.709 402 HA GLU 48 HA GLU 48 20.068 6.861 3.262 403 HB2 GLU 48 2HB GLU 48 19.710 9.593 2.008 404 HB3 GLU 48 1HB GLU 48 20.666 9.266 3.448 405 HG2 GLU 48 2HG GLU 48 22.201 7.904 2.181 406 HG3 GLU 48 1HG GLU 48 21.197 8.052 0.738 Start of MODEL 15 1 HA MET 1 HA MET 1 1.240 -13.439 5.219 2 H1 MET 1 1H MET 1 0.139 -13.829 7.304 3 H2 MET 1 2H MET 1 -1.365 -13.441 6.639 4 H3 MET 1 3H MET 1 -0.182 -12.244 6.801 5 HB2 MET 1 2HB MET 1 0.349 -15.682 5.619 6 HB3 MET 1 1HB MET 1 -1.214 -15.204 4.973 7 HG2 MET 1 2HG MET 1 -0.129 -14.817 2.774 8 HG3 MET 1 1HG MET 1 1.376 -15.435 3.451 9 HE1 MET 1 3HE MET 1 -2.292 -16.684 4.180 10 HE2 MET 1 1HE MET 1 -2.462 -17.963 2.978 11 HE3 MET 1 2HE MET 1 -2.336 -16.282 2.464 12 H ILE 2 H ILE 2 1.289 -12.436 3.216 13 HA ILE 2 HA ILE 2 -1.007 -10.767 2.529 14 HB ILE 2 HB ILE 2 1.285 -9.808 2.555 15 HG12 ILE 2 2HG1 ILE 2 -0.025 -9.783 -0.181 16 HG13 ILE 2 1HG1 ILE 2 -0.534 -8.807 1.193 17 HG21 ILE 2 1HG2 ILE 2 2.851 -10.325 0.744 18 HG22 ILE 2 2HG2 ILE 2 1.756 -11.571 0.144 19 HG23 ILE 2 3HG2 ILE 2 2.518 -11.751 1.725 20 HD11 ILE 2 3HD1 ILE 2 0.774 -7.501 -0.357 21 HD12 ILE 2 1HD1 ILE 2 2.117 -8.637 -0.219 22 HD13 ILE 2 2HD1 ILE 2 1.630 -7.672 1.176 23 H SER 3 H SER 3 -2.163 -10.854 0.618 24 HA SER 3 HA SER 3 -1.775 -13.236 -1.082 25 HG SER 3 HG SER 3 -5.335 -11.302 -0.793 26 HB2 SER 3 2HB SER 3 -4.172 -12.838 -1.754 27 HB3 SER 3 1HB SER 3 -3.950 -13.235 -0.050 28 H ASN 4 H ASN 4 -2.371 -12.969 -3.404 29 HA ASN 4 HA ASN 4 -0.791 -11.084 -4.678 30 HB2 ASN 4 2HB ASN 4 -3.205 -12.558 -5.767 31 HB3 ASN 4 1HB ASN 4 -2.049 -11.672 -6.760 32 HD21 ASN 4 1HD2 ASN 4 -1.423 -13.506 -7.880 33 HD22 ASN 4 2HD2 ASN 4 -0.453 -14.741 -7.160 34 H ALA 5 H ALA 5 -4.277 -10.895 -4.013 35 HA ALA 5 HA ALA 5 -4.854 -8.514 -5.346 36 HB1 ALA 5 3HB ALA 5 -6.577 -9.965 -4.415 37 HB2 ALA 5 1HB ALA 5 -6.772 -8.313 -3.841 38 HB3 ALA 5 2HB ALA 5 -6.072 -9.537 -2.782 39 H LYS 6 H LYS 6 -3.696 -8.990 -2.006 40 HA LYS 6 HA LYS 6 -3.645 -6.231 -1.342 41 HB2 LYS 6 2HB LYS 6 -2.228 -8.611 -0.140 42 HB3 LYS 6 1HB LYS 6 -2.107 -6.986 0.525 43 HG2 LYS 6 2HG LYS 6 -4.523 -6.935 0.873 44 HG3 LYS 6 1HG LYS 6 -4.660 -8.556 0.190 45 HD2 LYS 6 2HD LYS 6 -3.345 -9.475 2.005 46 HD3 LYS 6 1HD LYS 6 -3.051 -7.858 2.652 47 HE2 LYS 6 2HE LYS 6 -4.805 -9.015 3.908 48 HE3 LYS 6 1HE LYS 6 -5.435 -7.584 3.095 49 HZ1 LYS 6 3HZ LYS 6 -6.324 -9.018 1.354 50 HZ2 LYS 6 1HZ LYS 6 -6.936 -9.454 2.868 51 HZ3 LYS 6 2HZ LYS 6 -5.725 -10.385 2.149 52 H ILE 7 H ILE 7 -1.256 -8.377 -2.819 53 HA ILE 7 HA ILE 7 0.942 -6.619 -2.827 54 HB ILE 7 HB ILE 7 0.165 -8.658 -4.934 55 HG12 ILE 7 2HG1 ILE 7 2.046 -8.888 -2.563 56 HG13 ILE 7 1HG1 ILE 7 0.444 -9.611 -2.669 57 HG21 ILE 7 1HG2 ILE 7 2.540 -8.627 -5.579 58 HG22 ILE 7 2HG2 ILE 7 2.831 -7.321 -4.433 59 HG23 ILE 7 3HG2 ILE 7 1.779 -7.056 -5.821 60 HD11 ILE 7 3HD1 ILE 7 2.806 -10.284 -4.411 61 HD12 ILE 7 1HD1 ILE 7 1.201 -11.005 -4.528 62 HD13 ILE 7 2HD1 ILE 7 2.174 -11.254 -3.080 63 H ALA 8 H ALA 8 -1.750 -6.983 -5.135 64 HA ALA 8 HA ALA 8 -0.989 -4.907 -6.905 65 HB1 ALA 8 3HB ALA 8 -2.669 -6.579 -7.508 66 HB2 ALA 8 1HB ALA 8 -3.323 -4.947 -7.664 67 HB3 ALA 8 2HB ALA 8 -3.760 -5.942 -6.274 68 H ARG 9 H ARG 9 -2.939 -4.936 -3.958 69 HA ARG 9 HA ARG 9 -3.749 -2.253 -3.918 70 HE ARG 9 HE ARG 9 -5.900 -0.896 0.170 71 HB2 ARG 9 2HB ARG 9 -4.613 -3.999 -2.400 72 HB3 ARG 9 1HB ARG 9 -3.059 -4.060 -1.582 73 HG2 ARG 9 2HG ARG 9 -4.648 -2.803 -0.270 74 HG3 ARG 9 1HG ARG 9 -3.368 -1.736 -0.845 75 HD2 ARG 9 2HD ARG 9 -4.794 -0.775 -2.491 76 HD3 ARG 9 1HD ARG 9 -6.017 -2.025 -2.257 77 HH11 ARG 9 1HH1 ARG 9 -6.214 0.498 -2.968 78 HH12 ARG 9 2HH1 ARG 9 -7.163 1.823 -2.393 79 HH21 ARG 9 1HH2 ARG 9 -7.099 0.805 0.885 80 HH22 ARG 9 2HH2 ARG 9 -7.659 1.997 -0.237 81 H ILE 10 H ILE 10 -0.755 -3.771 -2.716 82 HA ILE 10 HA ILE 10 0.441 -1.469 -1.636 83 HB ILE 10 HB ILE 10 1.722 -3.922 -2.857 84 HG12 ILE 10 2HG1 ILE 10 1.308 -3.084 0.030 85 HG13 ILE 10 1HG1 ILE 10 0.376 -4.311 -0.821 86 HG21 ILE 10 1HG2 ILE 10 3.808 -3.231 -1.748 87 HG22 ILE 10 2HG2 ILE 10 3.051 -1.708 -1.278 88 HG23 ILE 10 3HG2 ILE 10 3.309 -2.078 -2.984 89 HD11 ILE 10 3HD1 ILE 10 3.310 -4.430 -0.152 90 HD12 ILE 10 1HD1 ILE 10 2.429 -5.645 -1.080 91 HD13 ILE 10 2HD1 ILE 10 2.008 -5.346 0.606 92 H ASN 11 H ASN 11 0.740 -2.846 -4.935 93 HA ASN 11 HA ASN 11 2.397 -0.878 -6.032 94 HB2 ASN 11 2HB ASN 11 0.262 -2.591 -7.312 95 HB3 ASN 11 1HB ASN 11 1.277 -1.496 -8.243 96 HD21 ASN 11 1HD2 ASN 11 1.140 -4.490 -6.534 97 HD22 ASN 11 2HD2 ASN 11 2.712 -5.042 -6.985 98 H GLU 12 H GLU 12 -1.166 -0.959 -5.880 99 HA GLU 12 HA GLU 12 -1.689 1.469 -7.168 100 HB2 GLU 12 2HB GLU 12 -3.496 -0.029 -6.696 101 HB3 GLU 12 1HB GLU 12 -3.176 0.030 -4.967 102 HG2 GLU 12 2HG GLU 12 -3.855 2.387 -4.925 103 HG3 GLU 12 1HG GLU 12 -4.184 2.315 -6.657 104 H LEU 13 H LEU 13 -1.338 0.863 -3.670 105 HA LEU 13 HA LEU 13 -1.505 3.566 -2.883 106 HG LEU 13 HG LEU 13 -2.523 0.744 -1.792 107 HB2 LEU 13 2HB LEU 13 -0.154 1.255 -1.477 108 HB3 LEU 13 1HB LEU 13 -0.561 2.794 -0.740 109 HD11 LEU 13 1HD1 LEU 13 -1.488 0.085 0.307 110 HD12 LEU 13 2HD1 LEU 13 -3.183 0.509 0.549 111 HD13 LEU 13 3HD1 LEU 13 -1.914 1.640 1.023 112 HD21 LEU 13 3HD2 LEU 13 -3.400 2.971 -2.172 113 HD22 LEU 13 1HD2 LEU 13 -3.036 3.427 -0.508 114 HD23 LEU 13 2HD2 LEU 13 -4.263 2.205 -0.841 115 H ALA 14 H ALA 14 1.178 1.639 -4.039 116 HA ALA 14 HA ALA 14 3.266 3.446 -3.328 117 HB1 ALA 14 3HB ALA 14 3.158 1.384 -5.534 118 HB2 ALA 14 1HB ALA 14 3.731 1.118 -3.887 119 HB3 ALA 14 2HB ALA 14 4.614 2.201 -4.963 120 H ALA 15 H ALA 15 1.237 3.057 -6.214 121 HA ALA 15 HA ALA 15 2.375 5.151 -7.746 122 HB1 ALA 15 3HB ALA 15 -0.458 4.088 -7.780 123 HB2 ALA 15 1HB ALA 15 0.894 3.459 -8.723 124 HB3 ALA 15 2HB ALA 15 0.284 5.086 -9.032 125 H LYS 16 H LYS 16 -0.387 5.088 -5.497 126 HA LYS 16 HA LYS 16 -1.087 7.792 -5.602 127 HB2 LYS 16 2HB LYS 16 -1.268 5.817 -3.317 128 HB3 LYS 16 1HB LYS 16 -1.988 7.421 -3.272 129 HG2 LYS 16 2HG LYS 16 -3.413 6.848 -5.172 130 HG3 LYS 16 1HG LYS 16 -2.675 5.244 -5.246 131 HD2 LYS 16 2HD LYS 16 -3.542 4.695 -3.055 132 HD3 LYS 16 1HD LYS 16 -4.155 6.335 -2.841 133 HE2 LYS 16 2HE LYS 16 -5.087 4.367 -4.934 134 HE3 LYS 16 1HE LYS 16 -5.932 4.745 -3.436 135 HZ1 LYS 16 3HZ LYS 16 -6.859 5.961 -5.296 136 HZ2 LYS 16 1HZ LYS 16 -5.358 6.660 -5.625 137 HZ3 LYS 16 2HZ LYS 16 -6.160 7.031 -4.186 138 H ALA 17 H ALA 17 1.258 6.147 -3.494 139 HA ALA 17 HA ALA 17 2.095 8.380 -2.011 140 HB1 ALA 17 3HB ALA 17 4.056 7.064 -1.436 141 HB2 ALA 17 1HB ALA 17 3.737 5.959 -2.774 142 HB3 ALA 17 2HB ALA 17 2.619 6.042 -1.413 143 H LYS 18 H LYS 18 3.446 6.981 -4.998 144 HA LYS 18 HA LYS 18 5.510 8.847 -5.387 145 HB2 LYS 18 2HB LYS 18 5.313 6.673 -6.569 146 HB3 LYS 18 1HB LYS 18 3.959 7.312 -7.488 147 HG2 LYS 18 2HG LYS 18 5.389 8.919 -8.579 148 HG3 LYS 18 1HG LYS 18 6.752 8.454 -7.559 149 HD2 LYS 18 2HD LYS 18 6.999 7.416 -9.727 150 HD3 LYS 18 1HD LYS 18 6.650 6.170 -8.527 151 HE2 LYS 18 2HE LYS 18 5.358 5.696 -10.487 152 HE3 LYS 18 1HE LYS 18 4.251 6.265 -9.238 153 HZ1 LYS 18 3HZ LYS 18 3.732 7.288 -11.340 154 HZ2 LYS 18 1HZ LYS 18 5.315 7.862 -11.507 155 HZ3 LYS 18 2HZ LYS 18 4.315 8.469 -10.283 156 H ALA 19 H ALA 19 2.094 8.988 -6.172 157 HA ALA 19 HA ALA 19 2.361 11.507 -7.623 158 HB1 ALA 19 3HB ALA 19 -0.111 9.942 -6.870 159 HB2 ALA 19 1HB ALA 19 0.747 9.845 -8.408 160 HB3 ALA 19 2HB ALA 19 -0.060 11.344 -7.941 161 H GLY 20 H GLY 20 2.022 10.555 -4.381 162 HA2 GLY 20 2HA GLY 20 1.908 11.865 -2.472 163 HA3 GLY 20 1HA GLY 20 1.691 13.279 -3.489 164 H VAL 21 H VAL 21 -0.576 11.022 -4.412 165 HA VAL 21 HA VAL 21 -2.685 12.583 -3.135 166 HB VAL 21 HB VAL 21 -4.218 11.500 -4.682 167 HG11 VAL 21 1HG1 VAL 21 -1.678 12.380 -6.064 168 HG12 VAL 21 2HG1 VAL 21 -2.976 13.434 -5.500 169 HG13 VAL 21 3HG1 VAL 21 -3.275 12.289 -6.806 170 HG21 VAL 21 3HG2 VAL 21 -3.419 9.863 -6.346 171 HG22 VAL 21 1HG2 VAL 21 -3.277 9.253 -4.697 172 HG23 VAL 21 2HG2 VAL 21 -1.846 9.839 -5.549 173 H ILE 22 H ILE 22 -1.005 10.142 -1.982 174 HA ILE 22 HA ILE 22 -3.075 8.266 -1.251 175 HB ILE 22 HB ILE 22 -0.751 7.529 -1.624 176 HG12 ILE 22 2HG1 ILE 22 -1.636 7.086 1.241 177 HG13 ILE 22 1HG1 ILE 22 -2.285 6.230 -0.154 178 HG21 ILE 22 1HG2 ILE 22 -0.091 9.064 0.891 179 HG22 ILE 22 2HG2 ILE 22 0.409 9.492 -0.744 180 HG23 ILE 22 3HG2 ILE 22 1.004 8.009 0.001 181 HD11 ILE 22 3HD1 ILE 22 -0.655 4.878 1.018 182 HD12 ILE 22 1HD1 ILE 22 0.566 6.133 0.812 183 HD13 ILE 22 2HD1 ILE 22 -0.075 5.284 -0.596 184 H THR 23 H THR 23 -4.211 8.169 0.655 185 HA THR 23 HA THR 23 -4.105 10.489 2.401 186 HB THR 23 HB THR 23 -6.065 9.637 3.493 187 HG1 THR 23 HG1 THR 23 -6.794 7.440 2.477 188 HG21 THR 23 3HG2 THR 23 -7.606 9.329 1.602 189 HG22 THR 23 1HG2 THR 23 -6.231 9.067 0.528 190 HG23 THR 23 2HG2 THR 23 -6.458 10.635 1.301 191 H GLU 24 H GLU 24 -4.059 10.267 4.767 192 HA GLU 24 HA GLU 24 -1.756 8.937 5.666 193 HB2 GLU 24 2HB GLU 24 -4.075 9.880 7.365 194 HB3 GLU 24 1HB GLU 24 -2.419 9.618 7.899 195 HG2 GLU 24 2HG GLU 24 -1.733 11.406 6.249 196 HG3 GLU 24 1HG GLU 24 -3.447 11.755 6.054 197 H GLU 25 H GLU 25 -5.143 7.986 5.756 198 HA GLU 25 HA GLU 25 -4.839 5.636 7.313 199 HB2 GLU 25 2HB GLU 25 -7.013 6.698 6.984 200 HB3 GLU 25 1HB GLU 25 -6.935 6.385 5.256 201 HG2 GLU 25 2HG GLU 25 -8.424 4.822 6.358 202 HG3 GLU 25 1HG GLU 25 -7.034 3.984 5.674 203 H GLU 26 H GLU 26 -4.857 6.186 3.781 204 HA GLU 26 HA GLU 26 -4.451 3.485 3.043 205 HB2 GLU 26 2HB GLU 26 -3.716 6.038 1.591 206 HB3 GLU 26 1HB GLU 26 -3.635 4.436 0.874 207 HG2 GLU 26 2HG GLU 26 -6.036 4.159 1.173 208 HG3 GLU 26 1HG GLU 26 -6.133 5.749 1.928 209 H LYS 27 H LYS 27 -2.208 6.057 3.924 210 HA LYS 27 HA LYS 27 0.207 4.735 3.305 211 HB2 LYS 27 2HB LYS 27 -0.418 6.799 5.432 212 HB3 LYS 27 1HB LYS 27 1.211 6.258 5.046 213 HG2 LYS 27 2HG LYS 27 0.969 7.103 2.774 214 HG3 LYS 27 1HG LYS 27 -0.683 7.603 3.125 215 HD2 LYS 27 2HD LYS 27 0.726 9.537 3.259 216 HD3 LYS 27 1HD LYS 27 0.220 9.120 4.895 217 HE2 LYS 27 2HE LYS 27 2.856 8.234 3.729 218 HE3 LYS 27 1HE LYS 27 2.663 9.766 4.576 219 HZ1 LYS 27 3HZ LYS 27 2.124 7.084 5.734 220 HZ2 LYS 27 1HZ LYS 27 1.967 8.558 6.541 221 HZ3 LYS 27 2HZ LYS 27 3.489 8.029 6.035 222 H ALA 28 H ALA 28 -1.703 4.812 6.311 223 HA ALA 28 HA ALA 28 -0.146 3.069 7.852 224 HB1 ALA 28 3HB ALA 28 -2.012 4.378 8.774 225 HB2 ALA 28 1HB ALA 28 -2.169 2.667 9.170 226 HB3 ALA 28 2HB ALA 28 -3.158 3.369 7.889 227 H GLU 29 H GLU 29 -2.829 2.370 5.627 228 HA GLU 29 HA GLU 29 -2.933 -0.403 5.850 229 HB2 GLU 29 2HB GLU 29 -4.599 0.882 4.607 230 HB3 GLU 29 1HB GLU 29 -3.394 1.330 3.408 231 HG2 GLU 29 2HG GLU 29 -4.629 -0.371 2.398 232 HG3 GLU 29 1HG GLU 29 -3.151 -1.160 2.938 233 H GLN 30 H GLN 30 -1.022 1.539 3.529 234 HA GLN 30 HA GLN 30 0.237 -0.536 2.177 235 HB2 GLN 30 2HB GLN 30 0.361 1.804 1.448 236 HB3 GLN 30 1HB GLN 30 1.367 2.196 2.838 237 HG2 GLN 30 2HG GLN 30 3.118 0.707 1.993 238 HG3 GLN 30 1HG GLN 30 2.111 0.309 0.601 239 HE21 GLN 30 1HE2 GLN 30 1.841 1.845 -1.022 240 HE22 GLN 30 2HE2 GLN 30 2.843 3.242 -1.144 241 H GLN 31 H GLN 31 1.415 1.200 5.075 242 HA GLN 31 HA GLN 31 3.793 -0.246 5.430 243 HB2 GLN 31 2HB GLN 31 3.330 1.826 6.646 244 HB3 GLN 31 1HB GLN 31 2.016 1.048 7.519 245 HG2 GLN 31 2HG GLN 31 3.593 -0.449 8.611 246 HG3 GLN 31 1HG GLN 31 4.923 0.266 7.701 247 HE21 GLN 31 1HE2 GLN 31 5.667 2.303 8.273 248 HE22 GLN 31 2HE2 GLN 31 5.240 3.060 9.763 249 H LYS 32 H LYS 32 0.556 -0.826 6.789 250 HA LYS 32 HA LYS 32 1.091 -3.098 8.310 251 HB2 LYS 32 2HB LYS 32 -1.036 -1.856 8.367 252 HB3 LYS 32 1HB LYS 32 -1.421 -2.431 6.749 253 HG2 LYS 32 2HG LYS 32 -1.426 -4.755 7.624 254 HG3 LYS 32 1HG LYS 32 -1.165 -4.106 9.246 255 HD2 LYS 32 2HD LYS 32 -3.273 -2.828 9.048 256 HD3 LYS 32 1HD LYS 32 -3.538 -3.542 7.456 257 HE2 LYS 32 2HE LYS 32 -4.845 -4.751 9.077 258 HE3 LYS 32 1HE LYS 32 -3.535 -5.790 8.516 259 HZ1 LYS 32 3HZ LYS 32 -3.596 -4.274 11.068 260 HZ2 LYS 32 1HZ LYS 32 -2.295 -5.216 10.531 261 HZ3 LYS 32 2HZ LYS 32 -3.776 -5.944 10.895 262 H LEU 33 H LEU 33 0.007 -2.927 4.916 263 HA LEU 33 HA LEU 33 0.038 -5.694 4.406 264 HG LEU 33 HG LEU 33 -1.757 -3.210 3.577 265 HB2 LEU 33 2HB LEU 33 0.417 -3.403 2.468 266 HB3 LEU 33 1HB LEU 33 0.056 -5.061 2.016 267 HD11 LEU 33 1HD1 LEU 33 -3.177 -3.283 1.603 268 HD12 LEU 33 2HD1 LEU 33 -2.000 -4.302 0.777 269 HD13 LEU 33 3HD1 LEU 33 -1.584 -2.642 1.205 270 HD21 LEU 33 3HD2 LEU 33 -3.427 -4.998 3.382 271 HD22 LEU 33 1HD2 LEU 33 -2.031 -5.509 4.328 272 HD23 LEU 33 2HD2 LEU 33 -2.210 -6.050 2.660 273 H ARG 34 H ARG 34 2.602 -3.292 4.320 274 HA ARG 34 HA ARG 34 4.528 -4.828 2.930 275 HE ARG 34 HE ARG 34 7.305 -1.297 4.187 276 HB2 ARG 34 2HB ARG 34 4.804 -2.557 4.902 277 HB3 ARG 34 1HB ARG 34 6.198 -3.314 4.134 278 HG2 ARG 34 2HG ARG 34 5.402 -2.678 1.948 279 HG3 ARG 34 1HG ARG 34 3.910 -2.041 2.638 280 HD2 ARG 34 2HD ARG 34 5.512 -0.259 2.090 281 HD3 ARG 34 1HD ARG 34 5.141 -0.317 3.812 282 HH11 ARG 34 1HH1 ARG 34 6.804 -0.072 1.015 283 HH12 ARG 34 2HH1 ARG 34 8.486 0.138 0.705 284 HH21 ARG 34 1HH2 ARG 34 9.468 -1.000 3.795 285 HH22 ARG 34 2HH2 ARG 34 9.985 -0.380 2.263 286 H GLN 35 H GLN 35 3.814 -4.575 6.429 287 HA GLN 35 HA GLN 35 5.793 -6.439 7.239 288 HB2 GLN 35 2HB GLN 35 3.230 -5.498 8.504 289 HB3 GLN 35 1HB GLN 35 4.144 -6.815 9.224 290 HG2 GLN 35 2HG GLN 35 4.797 -4.839 10.343 291 HG3 GLN 35 1HG GLN 35 6.133 -5.284 9.287 292 HE21 GLN 35 1HE2 GLN 35 6.548 -3.996 7.453 293 HE22 GLN 35 2HE2 GLN 35 5.919 -2.394 7.319 294 H GLU 36 H GLU 36 2.374 -6.898 6.338 295 HA GLU 36 HA GLU 36 2.304 -9.703 6.585 296 HB2 GLU 36 2HB GLU 36 0.769 -7.814 4.796 297 HB3 GLU 36 1HB GLU 36 0.433 -9.537 4.865 298 HG2 GLU 36 2HG GLU 36 0.293 -7.656 7.216 299 HG3 GLU 36 1HG GLU 36 -1.089 -8.184 6.258 300 H TYR 37 H TYR 37 3.520 -7.633 4.036 301 HA TYR 37 HA TYR 37 3.911 -9.622 2.054 302 HD1 TYR 37 HD1 TYR 37 4.040 -8.600 -0.604 303 HD2 TYR 37 HD2 TYR 37 7.483 -7.323 1.559 304 HE1 TYR 37 HE1 TYR 37 5.430 -8.984 -2.599 305 HE2 TYR 37 HE2 TYR 37 8.880 -7.703 -0.428 306 HH TYR 37 HH TYR 37 7.572 -8.240 -3.529 307 HB2 TYR 37 2HB TYR 37 3.871 -7.238 1.511 308 HB3 TYR 37 1HB TYR 37 5.316 -6.971 2.477 309 H LEU 38 H LEU 38 5.932 -8.406 4.685 310 HA LEU 38 HA LEU 38 8.277 -9.857 4.003 311 HG LEU 38 HG LEU 38 7.602 -6.981 5.087 312 HB2 LEU 38 2HB LEU 38 7.369 -8.836 6.702 313 HB3 LEU 38 1HB LEU 38 8.994 -9.371 6.313 314 HD11 LEU 38 1HD1 LEU 38 8.174 -6.578 7.411 315 HD12 LEU 38 2HD1 LEU 38 9.225 -5.648 6.347 316 HD13 LEU 38 3HD1 LEU 38 9.827 -7.112 7.121 317 HD21 LEU 38 3HD2 LEU 38 10.437 -7.976 4.744 318 HD22 LEU 38 1HD2 LEU 38 9.780 -6.475 4.089 319 HD23 LEU 38 2HD2 LEU 38 9.161 -8.026 3.527 320 H LYS 39 H LYS 39 5.392 -10.683 5.805 321 HA LYS 39 HA LYS 39 6.304 -13.042 7.060 322 HB2 LYS 39 2HB LYS 39 3.516 -12.275 6.154 323 HB3 LYS 39 1HB LYS 39 3.883 -13.641 7.199 324 HG2 LYS 39 2HG LYS 39 4.412 -10.740 7.841 325 HG3 LYS 39 1HG LYS 39 3.089 -11.721 8.476 326 HD2 LYS 39 2HD LYS 39 4.715 -13.223 9.539 327 HD3 LYS 39 1HD LYS 39 6.039 -12.245 8.900 328 HE2 LYS 39 2HE LYS 39 5.223 -10.323 10.199 329 HE3 LYS 39 1HE LYS 39 3.921 -11.320 10.848 330 HZ1 LYS 39 3HZ LYS 39 5.717 -11.200 12.415 331 HZ2 LYS 39 1HZ LYS 39 6.831 -11.741 11.259 332 HZ3 LYS 39 2HZ LYS 39 5.619 -12.778 11.817 333 H GLY 40 H GLY 40 7.441 -14.424 5.742 334 HA2 GLY 40 2HA GLY 40 7.237 -16.478 4.497 335 HA3 GLY 40 1HA GLY 40 5.889 -15.776 3.617 336 H PHE 41 H PHE 41 8.038 -13.352 3.759 337 HA PHE 41 HA PHE 41 9.136 -13.941 1.107 338 HD1 PHE 41 HD2 PHE 41 8.838 -12.354 -0.900 339 HD2 PHE 41 HD1 PHE 41 10.973 -10.076 2.001 340 HE1 PHE 41 HE2 PHE 41 10.189 -11.344 -2.690 341 HE2 PHE 41 HE1 PHE 41 12.326 -9.065 0.213 342 HZ PHE 41 HZ PHE 41 11.936 -9.697 -2.135 343 HB2 PHE 41 2HB PHE 41 7.938 -11.794 1.494 344 HB3 PHE 41 1HB PHE 41 9.154 -11.347 2.681 345 H ARG 42 H ARG 42 11.388 -13.602 0.637 346 HA ARG 42 HA ARG 42 13.103 -14.916 2.411 347 HE ARG 42 HE ARG 42 14.137 -14.884 -1.946 348 HB2 ARG 42 2HB ARG 42 14.933 -14.216 0.849 349 HB3 ARG 42 1HB ARG 42 13.561 -14.992 0.071 350 HG2 ARG 42 2HG ARG 42 12.765 -12.932 -0.795 351 HG3 ARG 42 1HG ARG 42 13.871 -12.000 0.214 352 HD2 ARG 42 2HD ARG 42 14.579 -12.141 -2.162 353 HD3 ARG 42 1HD ARG 42 15.771 -12.789 -1.036 354 HH11 ARG 42 1HH1 ARG 42 16.502 -12.698 -3.186 355 HH12 ARG 42 2HH1 ARG 42 17.120 -13.856 -4.312 356 HH21 ARG 42 1HH2 ARG 42 14.932 -16.330 -3.410 357 HH22 ARG 42 2HH2 ARG 42 16.239 -15.874 -4.448 358 H SER 43 H SER 43 12.099 -11.743 2.777 359 HA SER 43 HA SER 43 14.522 -10.491 3.593 360 HG SER 43 HG SER 43 12.536 -8.271 5.492 361 HB2 SER 43 2HB SER 43 12.560 -9.156 2.978 362 HB3 SER 43 1HB SER 43 11.671 -9.803 4.357 363 H SER 44 H SER 44 15.704 -11.462 5.139 364 HA SER 44 HA SER 44 14.633 -12.745 7.454 365 HG SER 44 HG SER 44 17.870 -10.925 7.529 366 HB2 SER 44 2HB SER 44 16.988 -12.819 8.228 367 HB3 SER 44 1HB SER 44 16.829 -13.374 6.561 368 H MET 45 H MET 45 13.268 -11.239 8.500 369 HA MET 45 HA MET 45 14.340 -8.665 9.329 370 HB2 MET 45 2HB MET 45 11.667 -9.955 9.930 371 HB3 MET 45 1HB MET 45 12.103 -8.288 10.282 372 HG2 MET 45 2HG MET 45 11.919 -9.532 7.542 373 HG3 MET 45 1HG MET 45 10.742 -8.441 8.271 374 HE1 MET 45 3HE MET 45 12.734 -5.081 8.478 375 HE2 MET 45 1HE MET 45 12.612 -6.307 9.740 376 HE3 MET 45 2HE MET 45 11.195 -5.886 8.777 377 H LYS 46 H LYS 46 13.297 -11.670 10.928 378 HA LYS 46 HA LYS 46 14.289 -10.682 13.499 379 HB2 LYS 46 2HB LYS 46 12.100 -12.124 13.001 380 HB3 LYS 46 1HB LYS 46 13.224 -13.463 13.154 381 HG2 LYS 46 2HG LYS 46 12.633 -11.370 15.248 382 HG3 LYS 46 1HG LYS 46 12.092 -13.049 15.253 383 HD2 LYS 46 2HD LYS 46 14.481 -13.756 15.340 384 HD3 LYS 46 1HD LYS 46 14.934 -12.055 15.483 385 HE2 LYS 46 2HE LYS 46 14.896 -13.067 17.677 386 HE3 LYS 46 1HE LYS 46 13.580 -11.902 17.548 387 HZ1 LYS 46 3HZ LYS 46 13.291 -14.836 17.203 388 HZ2 LYS 46 1HZ LYS 46 12.037 -13.700 17.188 389 HZ3 LYS 46 2HZ LYS 46 12.905 -13.983 18.611 390 H LEU 47 H LEU 47 16.520 -10.649 13.179 391 HA LEU 47 HA LEU 47 17.917 -12.939 12.123 392 HG LEU 47 HG LEU 47 17.877 -9.951 11.215 393 HB2 LEU 47 2HB LEU 47 18.958 -10.398 13.384 394 HB3 LEU 47 1HB LEU 47 19.963 -11.625 12.634 395 HD11 LEU 47 1HD1 LEU 47 19.875 -8.684 11.856 396 HD12 LEU 47 2HD1 LEU 47 19.766 -8.896 10.110 397 HD13 LEU 47 3HD1 LEU 47 20.889 -9.879 11.048 398 HD21 LEU 47 3HD2 LEU 47 18.727 -10.971 9.167 399 HD22 LEU 47 1HD2 LEU 47 18.068 -12.195 10.253 400 HD23 LEU 47 2HD2 LEU 47 19.815 -11.990 10.111 401 H GLU 48 H GLU 48 18.320 -14.701 13.267 402 HA GLU 48 HA GLU 48 19.079 -14.430 16.115 403 HB2 GLU 48 2HB GLU 48 17.481 -16.630 14.783 404 HB3 GLU 48 1HB GLU 48 18.180 -16.785 16.390 405 HG2 GLU 48 2HG GLU 48 16.829 -14.950 17.200 406 HG3 GLU 48 1HG GLU 48 16.191 -14.670 15.580 Start of MODEL 16 1 HA MET 1 HA MET 1 1.077 -13.005 5.570 2 H1 MET 1 1H MET 1 -0.362 -13.559 7.418 3 H2 MET 1 2H MET 1 -1.729 -13.386 6.441 4 H3 MET 1 3H MET 1 -0.754 -12.043 6.775 5 HB2 MET 1 2HB MET 1 -0.876 -15.271 5.105 6 HB3 MET 1 1HB MET 1 0.620 -15.073 4.198 7 HG2 MET 1 2HG MET 1 0.782 -16.700 6.063 8 HG3 MET 1 1HG MET 1 1.935 -15.372 6.178 9 HE1 MET 1 3HE MET 1 1.309 -17.273 8.628 10 HE2 MET 1 1HE MET 1 1.137 -16.108 9.940 11 HE3 MET 1 2HE MET 1 2.412 -15.902 8.739 12 H ILE 2 H ILE 2 1.306 -12.715 3.244 13 HA ILE 2 HA ILE 2 -0.814 -10.920 2.326 14 HB ILE 2 HB ILE 2 1.537 -10.103 2.468 15 HG12 ILE 2 2HG1 ILE 2 0.405 -10.099 -0.344 16 HG13 ILE 2 1HG1 ILE 2 -0.184 -9.085 0.968 17 HG21 ILE 2 1HG2 ILE 2 3.159 -10.774 0.773 18 HG22 ILE 2 2HG2 ILE 2 2.020 -11.960 0.133 19 HG23 ILE 2 3HG2 ILE 2 2.676 -12.154 1.759 20 HD11 ILE 2 3HD1 ILE 2 1.259 -7.830 -0.480 21 HD12 ILE 2 1HD1 ILE 2 2.556 -9.003 -0.258 22 HD13 ILE 2 2HD1 ILE 2 2.018 -8.018 1.103 23 H SER 3 H SER 3 -1.632 -10.921 0.219 24 HA SER 3 HA SER 3 -1.185 -13.311 -1.450 25 HG SER 3 HG SER 3 -4.923 -12.076 -0.424 26 HB2 SER 3 2HB SER 3 -3.580 -13.443 -1.926 27 HB3 SER 3 1HB SER 3 -3.325 -13.544 -0.185 28 H ASN 4 H ASN 4 -2.157 -12.912 -3.726 29 HA ASN 4 HA ASN 4 -0.915 -10.751 -4.944 30 HB2 ASN 4 2HB ASN 4 -1.644 -12.745 -6.174 31 HB3 ASN 4 1HB ASN 4 -3.327 -12.284 -5.951 32 HD21 ASN 4 1HD2 ASN 4 -0.367 -11.580 -7.633 33 HD22 ASN 4 2HD2 ASN 4 -1.060 -10.523 -8.814 34 H ALA 5 H ALA 5 -4.250 -10.984 -3.762 35 HA ALA 5 HA ALA 5 -5.244 -8.556 -4.736 36 HB1 ALA 5 3HB ALA 5 -6.646 -10.277 -3.695 37 HB2 ALA 5 1HB ALA 5 -6.906 -8.697 -2.954 38 HB3 ALA 5 2HB ALA 5 -5.935 -9.913 -2.126 39 H LYS 6 H LYS 6 -3.527 -9.241 -1.695 40 HA LYS 6 HA LYS 6 -3.551 -6.557 -0.744 41 HB2 LYS 6 2HB LYS 6 -1.727 -8.871 -0.046 42 HB3 LYS 6 1HB LYS 6 -1.784 -7.344 0.829 43 HG2 LYS 6 2HG LYS 6 -4.115 -7.762 1.429 44 HG3 LYS 6 1HG LYS 6 -4.077 -9.283 0.534 45 HD2 LYS 6 2HD LYS 6 -2.384 -10.162 2.053 46 HD3 LYS 6 1HD LYS 6 -2.331 -8.623 2.915 47 HE2 LYS 6 2HE LYS 6 -4.662 -8.907 3.595 48 HE3 LYS 6 1HE LYS 6 -4.751 -10.423 2.702 49 HZ1 LYS 6 3HZ LYS 6 -2.925 -9.926 4.992 50 HZ2 LYS 6 1HZ LYS 6 -3.149 -11.391 4.180 51 HZ3 LYS 6 2HZ LYS 6 -4.407 -10.732 5.094 52 H ILE 7 H ILE 7 -1.201 -8.439 -2.630 53 HA ILE 7 HA ILE 7 0.857 -6.535 -2.778 54 HB ILE 7 HB ILE 7 0.035 -8.569 -4.873 55 HG12 ILE 7 2HG1 ILE 7 2.136 -8.724 -2.689 56 HG13 ILE 7 1HG1 ILE 7 0.587 -9.558 -2.669 57 HG21 ILE 7 1HG2 ILE 7 1.449 -6.834 -5.845 58 HG22 ILE 7 2HG2 ILE 7 2.333 -8.355 -5.722 59 HG23 ILE 7 3HG2 ILE 7 2.639 -7.061 -4.564 60 HD11 ILE 7 3HD1 ILE 7 2.817 -10.011 -4.643 61 HD12 ILE 7 1HD1 ILE 7 1.266 -10.852 -4.630 62 HD13 ILE 7 2HD1 ILE 7 2.391 -11.053 -3.287 63 H ALA 8 H ALA 8 -1.981 -7.029 -4.865 64 HA ALA 8 HA ALA 8 -1.533 -5.006 -6.737 65 HB1 ALA 8 3HB ALA 8 -3.283 -6.698 -6.988 66 HB2 ALA 8 1HB ALA 8 -3.945 -5.070 -7.150 67 HB3 ALA 8 2HB ALA 8 -4.182 -5.974 -5.653 68 H ARG 9 H ARG 9 -3.055 -4.856 -3.537 69 HA ARG 9 HA ARG 9 -3.801 -2.130 -3.623 70 HE ARG 9 HE ARG 9 -6.550 -2.700 -0.877 71 HB2 ARG 9 2HB ARG 9 -4.663 -3.730 -1.943 72 HB3 ARG 9 1HB ARG 9 -3.066 -3.807 -1.208 73 HG2 ARG 9 2HG ARG 9 -4.400 -2.340 0.115 74 HG3 ARG 9 1HG ARG 9 -3.232 -1.346 -0.762 75 HD2 ARG 9 2HD ARG 9 -5.365 -0.252 -0.858 76 HD3 ARG 9 1HD ARG 9 -5.006 -0.893 -2.464 77 HH11 ARG 9 1HH1 ARG 9 -6.726 0.022 -2.985 78 HH12 ARG 9 2HH1 ARG 9 -8.404 -0.218 -3.330 79 HH21 ARG 9 1HH2 ARG 9 -8.683 -3.017 -1.351 80 HH22 ARG 9 2HH2 ARG 9 -9.499 -1.929 -2.418 81 H ILE 10 H ILE 10 -0.840 -3.725 -2.406 82 HA ILE 10 HA ILE 10 0.492 -1.423 -1.505 83 HB ILE 10 HB ILE 10 1.690 -3.955 -2.664 84 HG12 ILE 10 2HG1 ILE 10 1.165 -3.132 0.210 85 HG13 ILE 10 1HG1 ILE 10 0.258 -4.340 -0.691 86 HG21 ILE 10 1HG2 ILE 10 3.745 -3.320 -1.469 87 HG22 ILE 10 2HG2 ILE 10 2.998 -1.793 -1.004 88 HG23 ILE 10 3HG2 ILE 10 3.314 -2.137 -2.704 89 HD11 ILE 10 3HD1 ILE 10 3.150 -4.506 0.122 90 HD12 ILE 10 1HD1 ILE 10 2.306 -5.700 -0.865 91 HD13 ILE 10 2HD1 ILE 10 1.800 -5.415 0.799 92 H ASN 11 H ASN 11 0.580 -2.990 -4.712 93 HA ASN 11 HA ASN 11 2.333 -1.225 -5.996 94 HB2 ASN 11 2HB ASN 11 -0.017 -2.759 -7.139 95 HB3 ASN 11 1HB ASN 11 1.240 -1.988 -8.106 96 HD21 ASN 11 1HD2 ASN 11 0.461 -4.821 -7.865 97 HD22 ASN 11 2HD2 ASN 11 1.905 -5.649 -7.410 98 H GLU 12 H GLU 12 -1.189 -1.069 -5.640 99 HA GLU 12 HA GLU 12 -1.682 1.291 -7.070 100 HB2 GLU 12 2HB GLU 12 -3.492 -0.147 -6.383 101 HB3 GLU 12 1HB GLU 12 -3.087 0.066 -4.687 102 HG2 GLU 12 2HG GLU 12 -3.686 2.462 -4.889 103 HG3 GLU 12 1HG GLU 12 -4.194 2.159 -6.551 104 H LEU 13 H LEU 13 -1.381 0.913 -3.534 105 HA LEU 13 HA LEU 13 -1.475 3.652 -2.942 106 HG LEU 13 HG LEU 13 -2.624 0.932 -1.760 107 HB2 LEU 13 2HB LEU 13 -0.265 1.409 -1.321 108 HB3 LEU 13 1HB LEU 13 -0.682 3.000 -0.708 109 HD11 LEU 13 1HD1 LEU 13 -3.437 0.842 0.539 110 HD12 LEU 13 2HD1 LEU 13 -2.178 1.973 1.034 111 HD13 LEU 13 3HD1 LEU 13 -1.742 0.373 0.436 112 HD21 LEU 13 3HD2 LEU 13 -3.151 3.689 -0.650 113 HD22 LEU 13 1HD2 LEU 13 -4.381 2.483 -1.034 114 HD23 LEU 13 2HD2 LEU 13 -3.389 3.171 -2.319 115 H ALA 14 H ALA 14 1.227 1.577 -3.791 116 HA ALA 14 HA ALA 14 3.347 3.294 -3.076 117 HB1 ALA 14 3HB ALA 14 4.685 2.038 -4.684 118 HB2 ALA 14 1HB ALA 14 3.221 1.348 -5.386 119 HB3 ALA 14 2HB ALA 14 3.680 0.949 -3.731 120 H ALA 15 H ALA 15 1.519 2.999 -6.131 121 HA ALA 15 HA ALA 15 2.786 5.121 -7.498 122 HB1 ALA 15 3HB ALA 15 -0.042 4.103 -7.835 123 HB2 ALA 15 1HB ALA 15 1.390 3.454 -8.634 124 HB3 ALA 15 2HB ALA 15 0.852 5.096 -8.987 125 H LYS 16 H LYS 16 -0.223 5.058 -5.585 126 HA LYS 16 HA LYS 16 -0.857 7.781 -5.756 127 HB2 LYS 16 2HB LYS 16 -1.380 5.955 -3.393 128 HB3 LYS 16 1HB LYS 16 -2.269 7.418 -3.808 129 HG2 LYS 16 2HG LYS 16 -3.072 6.361 -5.862 130 HG3 LYS 16 1HG LYS 16 -2.160 4.903 -5.476 131 HD2 LYS 16 2HD LYS 16 -4.272 4.325 -4.745 132 HD3 LYS 16 1HD LYS 16 -3.555 4.947 -3.261 133 HE2 LYS 16 2HE LYS 16 -5.178 6.692 -5.099 134 HE3 LYS 16 1HE LYS 16 -5.932 5.700 -3.857 135 HZ1 LYS 16 3HZ LYS 16 -5.535 7.981 -3.134 136 HZ2 LYS 16 1HZ LYS 16 -3.873 7.776 -3.344 137 HZ3 LYS 16 2HZ LYS 16 -4.700 6.869 -2.177 138 H ALA 17 H ALA 17 1.393 6.077 -3.658 139 HA ALA 17 HA ALA 17 2.009 8.258 -1.940 140 HB1 ALA 17 3HB ALA 17 3.941 6.938 -1.254 141 HB2 ALA 17 1HB ALA 17 3.707 5.854 -2.627 142 HB3 ALA 17 2HB ALA 17 2.499 5.929 -1.344 143 H LYS 18 H LYS 18 3.480 7.057 -4.947 144 HA LYS 18 HA LYS 18 5.593 8.972 -5.012 145 HB2 LYS 18 2HB LYS 18 4.367 7.347 -7.256 146 HB3 LYS 18 1HB LYS 18 5.849 8.286 -7.392 147 HG2 LYS 18 2HG LYS 18 6.894 6.876 -5.673 148 HG3 LYS 18 1HG LYS 18 5.411 5.923 -5.563 149 HD2 LYS 18 2HD LYS 18 7.134 6.235 -8.034 150 HD3 LYS 18 1HD LYS 18 7.097 4.820 -6.977 151 HE2 LYS 18 2HE LYS 18 4.746 4.450 -7.539 152 HE3 LYS 18 1HE LYS 18 4.749 5.890 -8.556 153 HZ1 LYS 18 3HZ LYS 18 4.991 3.856 -9.849 154 HZ2 LYS 18 1HZ LYS 18 6.409 3.468 -9.012 155 HZ3 LYS 18 2HZ LYS 18 6.359 4.837 -10.002 156 H ALA 19 H ALA 19 2.260 9.039 -6.068 157 HA ALA 19 HA ALA 19 2.602 11.568 -7.484 158 HB1 ALA 19 3HB ALA 19 0.086 9.998 -6.919 159 HB2 ALA 19 1HB ALA 19 1.067 9.876 -8.378 160 HB3 ALA 19 2HB ALA 19 0.232 11.384 -8.005 161 H GLY 20 H GLY 20 1.994 10.567 -4.293 162 HA2 GLY 20 2HA GLY 20 1.823 11.934 -2.409 163 HA3 GLY 20 1HA GLY 20 1.495 13.307 -3.452 164 H VAL 21 H VAL 21 -0.574 11.120 -4.597 165 HA VAL 21 HA VAL 21 -2.820 12.323 -3.217 166 HB VAL 21 HB VAL 21 -4.211 11.148 -4.872 167 HG11 VAL 21 1HG1 VAL 21 -3.285 13.324 -5.452 168 HG12 VAL 21 2HG1 VAL 21 -3.370 12.294 -6.880 169 HG13 VAL 21 3HG1 VAL 21 -1.824 12.558 -6.074 170 HG21 VAL 21 3HG2 VAL 21 -3.134 9.861 -6.690 171 HG22 VAL 21 1HG2 VAL 21 -2.945 9.090 -5.115 172 HG23 VAL 21 2HG2 VAL 21 -1.595 9.971 -5.832 173 H ILE 22 H ILE 22 -1.117 10.376 -1.751 174 HA ILE 22 HA ILE 22 -3.064 8.239 -1.191 175 HB ILE 22 HB ILE 22 -0.758 7.520 -1.707 176 HG12 ILE 22 2HG1 ILE 22 -1.509 7.019 1.188 177 HG13 ILE 22 1HG1 ILE 22 -2.184 6.168 -0.198 178 HG21 ILE 22 1HG2 ILE 22 0.021 9.029 0.795 179 HG22 ILE 22 2HG2 ILE 22 0.456 9.458 -0.860 180 HG23 ILE 22 3HG2 ILE 22 1.077 7.973 -0.146 181 HD11 ILE 22 3HD1 ILE 22 -0.488 4.834 0.895 182 HD12 ILE 22 1HD1 ILE 22 0.694 6.125 0.681 183 HD13 ILE 22 2HD1 ILE 22 0.038 5.287 -0.727 184 H THR 23 H THR 23 -4.252 8.304 0.661 185 HA THR 23 HA THR 23 -4.003 10.566 2.425 186 HB THR 23 HB THR 23 -5.912 9.715 3.616 187 HG1 THR 23 HG1 THR 23 -6.767 7.596 2.999 188 HG21 THR 23 3HG2 THR 23 -7.537 9.444 1.799 189 HG22 THR 23 1HG2 THR 23 -6.218 9.167 0.661 190 HG23 THR 23 2HG2 THR 23 -6.388 10.735 1.451 191 H GLU 24 H GLU 24 -3.884 10.359 4.806 192 HA GLU 24 HA GLU 24 -1.544 9.059 5.643 193 HB2 GLU 24 2HB GLU 24 -3.817 9.960 7.430 194 HB3 GLU 24 1HB GLU 24 -2.128 9.758 7.884 195 HG2 GLU 24 2HG GLU 24 -1.562 11.569 6.244 196 HG3 GLU 24 1HG GLU 24 -3.290 11.833 6.030 197 H GLU 25 H GLU 25 -4.926 8.086 5.799 198 HA GLU 25 HA GLU 25 -4.498 5.714 7.324 199 HB2 GLU 25 2HB GLU 25 -6.706 6.724 7.220 200 HB3 GLU 25 1HB GLU 25 -6.772 6.478 5.478 201 HG2 GLU 25 2HG GLU 25 -6.800 4.076 5.781 202 HG3 GLU 25 1HG GLU 25 -6.612 4.265 7.522 203 H GLU 26 H GLU 26 -4.744 6.333 3.804 204 HA GLU 26 HA GLU 26 -4.412 3.655 2.981 205 HB2 GLU 26 2HB GLU 26 -3.684 6.246 1.612 206 HB3 GLU 26 1HB GLU 26 -3.500 4.676 0.844 207 HG2 GLU 26 2HG GLU 26 -5.931 4.295 1.129 208 HG3 GLU 26 1HG GLU 26 -6.075 5.925 1.787 209 H LYS 27 H LYS 27 -2.028 6.133 3.852 210 HA LYS 27 HA LYS 27 0.294 4.675 3.175 211 HB2 LYS 27 2HB LYS 27 -0.114 6.727 5.369 212 HB3 LYS 27 1HB LYS 27 1.452 6.137 4.825 213 HG2 LYS 27 2HG LYS 27 1.029 7.050 2.595 214 HG3 LYS 27 1HG LYS 27 -0.546 7.633 3.132 215 HD2 LYS 27 2HD LYS 27 1.024 9.464 3.163 216 HD3 LYS 27 1HD LYS 27 0.600 9.048 4.823 217 HE2 LYS 27 2HE LYS 27 2.688 7.783 5.039 218 HE3 LYS 27 1HE LYS 27 3.106 8.184 3.374 219 HZ1 LYS 27 3HZ LYS 27 4.223 9.639 4.936 220 HZ2 LYS 27 1HZ LYS 27 2.743 10.135 5.580 221 HZ3 LYS 27 2HZ LYS 27 3.141 10.520 3.987 222 H ALA 28 H ALA 28 -1.708 4.694 6.089 223 HA ALA 28 HA ALA 28 -0.116 2.883 7.604 224 HB1 ALA 28 3HB ALA 28 -1.797 4.367 8.621 225 HB2 ALA 28 1HB ALA 28 -2.057 2.678 9.056 226 HB3 ALA 28 2HB ALA 28 -3.076 3.441 7.833 227 H GLU 29 H GLU 29 -2.832 2.457 5.370 228 HA GLU 29 HA GLU 29 -3.191 -0.323 5.732 229 HB2 GLU 29 2HB GLU 29 -4.762 1.309 4.570 230 HB3 GLU 29 1HB GLU 29 -3.695 1.222 3.177 231 HG2 GLU 29 2HG GLU 29 -5.554 -0.239 2.822 232 HG3 GLU 29 1HG GLU 29 -4.106 -1.215 3.058 233 H GLN 30 H GLN 30 -1.309 1.513 3.321 234 HA GLN 30 HA GLN 30 -0.064 -0.594 1.988 235 HB2 GLN 30 2HB GLN 30 0.104 1.772 1.291 236 HB3 GLN 30 1HB GLN 30 1.110 2.116 2.691 237 HG2 GLN 30 2HG GLN 30 2.805 0.545 1.818 238 HG3 GLN 30 1HG GLN 30 1.804 0.295 0.389 239 HE21 GLN 30 1HE2 GLN 30 3.403 1.099 -0.994 240 HE22 GLN 30 2HE2 GLN 30 3.801 2.777 -1.066 241 H GLN 31 H GLN 31 1.053 1.195 4.852 242 HA GLN 31 HA GLN 31 3.352 -0.168 5.508 243 HB2 GLN 31 2HB GLN 31 2.742 1.752 6.768 244 HB3 GLN 31 1HB GLN 31 1.191 1.060 7.218 245 HG2 GLN 31 2HG GLN 31 2.388 -0.604 8.612 246 HG3 GLN 31 1HG GLN 31 3.904 0.205 8.214 247 HE21 GLN 31 1HE2 GLN 31 4.255 0.660 10.409 248 HE22 GLN 31 2HE2 GLN 31 3.373 1.889 11.238 249 H LYS 32 H LYS 32 0.131 -0.915 6.840 250 HA LYS 32 HA LYS 32 0.657 -3.208 8.242 251 HB2 LYS 32 2HB LYS 32 -1.513 -2.041 8.215 252 HB3 LYS 32 1HB LYS 32 -1.805 -2.614 6.579 253 HG2 LYS 32 2HG LYS 32 -1.756 -4.947 7.451 254 HG3 LYS 32 1HG LYS 32 -1.622 -4.286 9.083 255 HD2 LYS 32 2HD LYS 32 -3.762 -3.039 8.655 256 HD3 LYS 32 1HD LYS 32 -3.908 -3.926 7.138 257 HE2 LYS 32 2HE LYS 32 -5.250 -5.011 8.824 258 HE3 LYS 32 1HE LYS 32 -3.879 -6.046 8.422 259 HZ1 LYS 32 3HZ LYS 32 -4.235 -5.963 10.798 260 HZ2 LYS 32 1HZ LYS 32 -4.092 -4.279 10.800 261 HZ3 LYS 32 2HZ LYS 32 -2.755 -5.241 10.420 262 H LEU 33 H LEU 33 -0.147 -2.989 4.784 263 HA LEU 33 HA LEU 33 -0.047 -5.821 4.375 264 HG LEU 33 HG LEU 33 -2.133 -3.556 3.638 265 HB2 LEU 33 2HB LEU 33 -0.048 -3.563 2.368 266 HB3 LEU 33 1HB LEU 33 -0.264 -5.261 1.979 267 HD11 LEU 33 1HD1 LEU 33 -2.254 -3.070 1.259 268 HD12 LEU 33 2HD1 LEU 33 -3.709 -3.902 1.805 269 HD13 LEU 33 3HD1 LEU 33 -2.476 -4.784 0.905 270 HD21 LEU 33 3HD2 LEU 33 -3.608 -5.505 3.689 271 HD22 LEU 33 1HD2 LEU 33 -2.074 -5.843 4.491 272 HD23 LEU 33 2HD2 LEU 33 -2.375 -6.465 2.870 273 H ARG 34 H ARG 34 2.349 -3.267 4.179 274 HA ARG 34 HA ARG 34 4.250 -4.755 2.666 275 HE ARG 34 HE ARG 34 7.015 -2.222 1.948 276 HB2 ARG 34 2HB ARG 34 4.631 -2.450 4.583 277 HB3 ARG 34 1HB ARG 34 5.935 -3.163 3.642 278 HG2 ARG 34 2HG ARG 34 4.587 -2.625 1.575 279 HG3 ARG 34 1HG ARG 34 3.517 -1.691 2.621 280 HD2 ARG 34 2HD ARG 34 5.080 -0.165 1.674 281 HD3 ARG 34 1HD ARG 34 5.534 -0.387 3.364 282 HH11 ARG 34 1HH1 ARG 34 6.705 1.209 2.057 283 HH12 ARG 34 2HH1 ARG 34 8.297 1.479 1.433 284 HH21 ARG 34 1HH2 ARG 34 9.061 -1.860 1.159 285 HH22 ARG 34 2HH2 ARG 34 9.614 -0.238 0.933 286 H GLN 35 H GLN 35 3.667 -4.451 6.177 287 HA GLN 35 HA GLN 35 5.685 -6.222 7.017 288 HB2 GLN 35 2HB GLN 35 2.965 -5.599 8.167 289 HB3 GLN 35 1HB GLN 35 4.020 -6.792 8.909 290 HG2 GLN 35 2HG GLN 35 4.362 -4.796 10.097 291 HG3 GLN 35 1HG GLN 35 5.773 -4.991 9.063 292 HE21 GLN 35 1HE2 GLN 35 6.070 -3.576 7.333 293 HE22 GLN 35 2HE2 GLN 35 5.188 -2.097 7.201 294 H GLU 36 H GLU 36 2.325 -6.879 6.013 295 HA GLU 36 HA GLU 36 2.325 -9.651 6.130 296 HB2 GLU 36 2HB GLU 36 0.966 -7.745 4.219 297 HB3 GLU 36 1HB GLU 36 0.698 -9.481 4.148 298 HG2 GLU 36 2HG GLU 36 0.244 -7.883 6.653 299 HG3 GLU 36 1HG GLU 36 -1.003 -8.110 5.428 300 H TYR 37 H TYR 37 3.566 -7.545 3.582 301 HA TYR 37 HA TYR 37 4.327 -9.585 1.773 302 HD1 TYR 37 HD2 TYR 37 4.304 -8.959 -0.720 303 HD2 TYR 37 HD1 TYR 37 7.526 -6.732 0.953 304 HE1 TYR 37 HE2 TYR 37 5.635 -9.379 -2.738 305 HE2 TYR 37 HE1 TYR 37 8.868 -7.150 -1.068 306 HH TYR 37 HH TYR 37 7.507 -8.400 -3.937 307 HB2 TYR 37 2HB TYR 37 4.025 -7.180 1.183 308 HB3 TYR 37 1HB TYR 37 5.485 -6.803 2.091 309 H LEU 38 H LEU 38 5.903 -8.152 4.557 310 HA LEU 38 HA LEU 38 8.463 -9.381 3.959 311 HG LEU 38 HG LEU 38 7.766 -6.360 4.346 312 HB2 LEU 38 2HB LEU 38 7.531 -7.767 6.334 313 HB3 LEU 38 1HB LEU 38 9.168 -8.366 6.127 314 HD11 LEU 38 1HD1 LEU 38 9.417 -4.778 5.204 315 HD12 LEU 38 2HD1 LEU 38 10.072 -6.023 6.270 316 HD13 LEU 38 3HD1 LEU 38 8.426 -5.433 6.507 317 HD21 LEU 38 3HD2 LEU 38 10.569 -7.479 4.178 318 HD22 LEU 38 1HD2 LEU 38 9.935 -6.149 3.209 319 HD23 LEU 38 2HD2 LEU 38 9.257 -7.766 3.034 320 H LYS 39 H LYS 39 5.614 -10.383 5.547 321 HA LYS 39 HA LYS 39 6.562 -11.951 7.654 322 HB2 LYS 39 2HB LYS 39 4.244 -12.620 5.819 323 HB3 LYS 39 1HB LYS 39 4.522 -13.300 7.415 324 HG2 LYS 39 2HG LYS 39 3.981 -10.391 6.839 325 HG3 LYS 39 1HG LYS 39 2.780 -11.558 7.388 326 HD2 LYS 39 2HD LYS 39 3.949 -11.853 9.478 327 HD3 LYS 39 1HD LYS 39 5.287 -10.844 8.918 328 HE2 LYS 39 2HE LYS 39 3.774 -9.635 10.443 329 HE3 LYS 39 1HE LYS 39 3.840 -8.901 8.843 330 HZ1 LYS 39 3HZ LYS 39 1.582 -8.997 9.663 331 HZ2 LYS 39 1HZ LYS 39 1.680 -10.673 9.855 332 HZ3 LYS 39 2HZ LYS 39 1.737 -9.994 8.309 333 H GLY 40 H GLY 40 8.477 -13.021 7.182 334 HA2 GLY 40 2HA GLY 40 9.673 -14.926 6.616 335 HA3 GLY 40 1HA GLY 40 8.223 -15.571 5.865 336 H PHE 41 H PHE 41 9.065 -12.460 4.730 337 HA PHE 41 HA PHE 41 9.553 -13.253 2.081 338 HD1 PHE 41 HD1 PHE 41 8.767 -11.399 0.220 339 HD2 PHE 41 HD2 PHE 41 12.240 -9.892 2.179 340 HE1 PHE 41 HE1 PHE 41 9.622 -10.568 -1.930 341 HE2 PHE 41 HE2 PHE 41 13.093 -9.062 0.029 342 HZ PHE 41 HZ PHE 41 11.786 -9.401 -2.028 343 HB2 PHE 41 2HB PHE 41 8.865 -10.965 2.729 344 HB3 PHE 41 1HB PHE 41 10.440 -10.702 3.467 345 H ARG 42 H ARG 42 11.904 -12.088 4.497 346 HA ARG 42 HA ARG 42 13.961 -13.746 3.186 347 HE ARG 42 HE ARG 42 17.196 -11.538 3.872 348 HB2 ARG 42 2HB ARG 42 14.279 -11.361 5.023 349 HB3 ARG 42 1HB ARG 42 15.609 -12.357 4.446 350 HG2 ARG 42 2HG ARG 42 14.892 -11.757 2.100 351 HG3 ARG 42 1HG ARG 42 13.802 -10.575 2.829 352 HD2 ARG 42 2HD ARG 42 15.911 -9.536 2.145 353 HD3 ARG 42 1HD ARG 42 15.699 -9.465 3.896 354 HH11 ARG 42 1HH1 ARG 42 17.465 -8.934 1.623 355 HH12 ARG 42 2HH1 ARG 42 19.148 -9.223 1.337 356 HH21 ARG 42 1HH2 ARG 42 19.347 -11.876 3.510 357 HH22 ARG 42 2HH2 ARG 42 20.196 -10.870 2.390 358 H SER 43 H SER 43 15.462 -14.901 4.666 359 HA SER 43 HA SER 43 15.761 -16.517 6.245 360 HG SER 43 HG SER 43 14.458 -17.036 8.665 361 HB2 SER 43 2HB SER 43 15.714 -14.628 7.847 362 HB3 SER 43 1HB SER 43 13.966 -14.782 7.974 363 H SER 44 H SER 44 13.530 -16.612 4.336 364 HA SER 44 HA SER 44 11.140 -17.627 5.255 365 HG SER 44 HG SER 44 13.279 -19.453 2.994 366 HB2 SER 44 2HB SER 44 11.030 -18.896 3.098 367 HB3 SER 44 1HB SER 44 11.519 -17.217 2.885 368 H MET 45 H MET 45 10.641 -19.308 6.534 369 HA MET 45 HA MET 45 12.712 -21.006 7.482 370 HB2 MET 45 2HB MET 45 10.782 -20.130 8.837 371 HB3 MET 45 1HB MET 45 9.751 -21.286 8.011 372 HG2 MET 45 2HG MET 45 10.298 -22.259 10.079 373 HG3 MET 45 1HG MET 45 11.278 -23.096 8.878 374 HE1 MET 45 3HE MET 45 13.889 -21.666 8.328 375 HE2 MET 45 1HE MET 45 13.816 -23.304 8.979 376 HE3 MET 45 2HE MET 45 14.886 -22.108 9.713 377 H LYS 46 H LYS 46 13.514 -22.494 6.089 378 HA LYS 46 HA LYS 46 11.664 -24.678 5.341 379 HB2 LYS 46 2HB LYS 46 14.101 -23.741 3.797 380 HB3 LYS 46 1HB LYS 46 13.174 -25.186 3.424 381 HG2 LYS 46 2HG LYS 46 11.197 -23.789 2.990 382 HG3 LYS 46 1HG LYS 46 12.160 -22.347 3.319 383 HD2 LYS 46 2HD LYS 46 12.680 -24.359 1.118 384 HD3 LYS 46 1HD LYS 46 11.946 -22.770 0.906 385 HE2 LYS 46 2HE LYS 46 14.040 -21.746 1.787 386 HE3 LYS 46 1HE LYS 46 14.759 -23.353 1.838 387 HZ1 LYS 46 3HZ LYS 46 14.494 -23.527 -0.545 388 HZ2 LYS 46 1HZ LYS 46 15.365 -22.126 -0.169 389 HZ3 LYS 46 2HZ LYS 46 13.736 -22.016 -0.610 390 H LEU 47 H LEU 47 13.234 -26.737 4.827 391 HA LEU 47 HA LEU 47 14.478 -27.346 7.336 392 HG LEU 47 HG LEU 47 16.224 -29.782 6.214 393 HB2 LEU 47 2HB LEU 47 13.287 -29.055 6.041 394 HB3 LEU 47 1HB LEU 47 14.461 -28.905 4.746 395 HD11 LEU 47 1HD1 LEU 47 15.669 -30.690 8.422 396 HD12 LEU 47 2HD1 LEU 47 14.028 -30.063 8.270 397 HD13 LEU 47 3HD1 LEU 47 15.394 -28.951 8.352 398 HD21 LEU 47 3HD2 LEU 47 15.393 -32.090 6.406 399 HD22 LEU 47 1HD2 LEU 47 14.955 -31.361 4.861 400 HD23 LEU 47 2HD2 LEU 47 13.749 -31.514 6.140 401 H GLU 48 H GLU 48 16.445 -26.716 7.915 402 HA GLU 48 HA GLU 48 18.767 -27.170 6.325 403 HB2 GLU 48 2HB GLU 48 17.775 -25.062 5.302 404 HB3 GLU 48 1HB GLU 48 18.107 -24.253 6.822 405 HG2 GLU 48 2HG GLU 48 20.282 -25.610 5.253 406 HG3 GLU 48 1HG GLU 48 19.766 -23.966 4.891 Start of MODEL 17 1 HA MET 1 HA MET 1 1.644 -14.579 4.930 2 H1 MET 1 1H MET 1 1.144 -16.928 4.755 3 H2 MET 1 2H MET 1 0.324 -16.678 3.300 4 H3 MET 1 3H MET 1 -0.276 -16.014 4.735 5 HB2 MET 1 2HB MET 1 2.416 -15.774 2.253 6 HB3 MET 1 1HB MET 1 3.232 -14.433 3.044 7 HG2 MET 1 2HG MET 1 3.080 -17.282 4.008 8 HG3 MET 1 1HG MET 1 4.495 -16.448 3.364 9 HE1 MET 1 3HE MET 1 5.634 -16.775 7.030 10 HE2 MET 1 1HE MET 1 6.087 -16.922 5.332 11 HE3 MET 1 2HE MET 1 4.843 -17.973 6.008 12 H ILE 2 H ILE 2 2.232 -12.917 2.758 13 HA ILE 2 HA ILE 2 -0.257 -11.654 2.213 14 HB ILE 2 HB ILE 2 1.832 -10.379 2.356 15 HG12 ILE 2 2HG1 ILE 2 0.577 -10.202 -0.399 16 HG13 ILE 2 1HG1 ILE 2 -0.070 -9.462 1.062 17 HG21 ILE 2 1HG2 ILE 2 3.344 -12.016 1.357 18 HG22 ILE 2 2HG2 ILE 2 3.499 -10.445 0.570 19 HG23 ILE 2 3HG2 ILE 2 2.608 -11.745 -0.223 20 HD11 ILE 2 3HD1 ILE 2 1.078 -7.833 -0.309 21 HD12 ILE 2 1HD1 ILE 2 2.558 -8.791 -0.250 22 HD13 ILE 2 2HD1 ILE 2 1.921 -8.056 1.224 23 H SER 3 H SER 3 -1.548 -11.678 0.384 24 HA SER 3 HA SER 3 -0.779 -13.586 -1.744 25 HG SER 3 HG SER 3 -4.259 -13.839 -2.601 26 HB2 SER 3 2HB SER 3 -2.831 -14.230 -0.540 27 HB3 SER 3 1HB SER 3 -3.565 -12.684 -0.959 28 H ASN 4 H ASN 4 -1.844 -13.073 -3.906 29 HA ASN 4 HA ASN 4 -0.636 -10.786 -4.928 30 HB2 ASN 4 2HB ASN 4 -2.882 -12.413 -6.139 31 HB3 ASN 4 1HB ASN 4 -1.869 -11.270 -7.017 32 HD21 ASN 4 1HD2 ASN 4 -1.024 -12.808 -8.389 33 HD22 ASN 4 2HD2 ASN 4 0.083 -14.021 -7.863 34 H ALA 5 H ALA 5 -3.863 -11.118 -3.608 35 HA ALA 5 HA ALA 5 -5.051 -8.799 -4.663 36 HB1 ALA 5 3HB ALA 5 -6.311 -10.505 -3.441 37 HB2 ALA 5 1HB ALA 5 -6.579 -8.899 -2.762 38 HB3 ALA 5 2HB ALA 5 -5.504 -10.035 -1.945 39 H LYS 6 H LYS 6 -3.176 -9.217 -1.648 40 HA LYS 6 HA LYS 6 -3.256 -6.440 -0.966 41 HB2 LYS 6 2HB LYS 6 -1.455 -8.668 0.003 42 HB3 LYS 6 1HB LYS 6 -1.446 -7.040 0.667 43 HG2 LYS 6 2HG LYS 6 -3.866 -7.354 1.242 44 HG3 LYS 6 1HG LYS 6 -3.698 -9.041 0.749 45 HD2 LYS 6 2HD LYS 6 -1.971 -9.382 2.449 46 HD3 LYS 6 1HD LYS 6 -2.081 -7.684 2.917 47 HE2 LYS 6 2HE LYS 6 -3.318 -9.031 4.494 48 HE3 LYS 6 1HE LYS 6 -4.443 -8.049 3.559 49 HZ1 LYS 6 3HZ LYS 6 -4.907 -9.983 2.173 50 HZ2 LYS 6 1HZ LYS 6 -5.248 -10.303 3.799 51 HZ3 LYS 6 2HZ LYS 6 -3.840 -10.917 3.094 52 H ILE 7 H ILE 7 -0.857 -8.505 -2.590 53 HA ILE 7 HA ILE 7 1.230 -6.683 -2.872 54 HB ILE 7 HB ILE 7 0.333 -8.767 -4.883 55 HG12 ILE 7 2HG1 ILE 7 2.383 -8.923 -2.649 56 HG13 ILE 7 1HG1 ILE 7 0.799 -9.688 -2.638 57 HG21 ILE 7 1HG2 ILE 7 1.838 -7.147 -5.915 58 HG22 ILE 7 2HG2 ILE 7 2.650 -8.699 -5.711 59 HG23 ILE 7 3HG2 ILE 7 3.003 -7.368 -4.608 60 HD11 ILE 7 3HD1 ILE 7 1.472 -11.083 -4.536 61 HD12 ILE 7 1HD1 ILE 7 2.533 -11.292 -3.143 62 HD13 ILE 7 2HD1 ILE 7 3.065 -10.325 -4.517 63 H ALA 8 H ALA 8 -1.566 -7.179 -5.040 64 HA ALA 8 HA ALA 8 -0.966 -5.140 -6.883 65 HB1 ALA 8 3HB ALA 8 -2.636 -6.882 -7.300 66 HB2 ALA 8 1HB ALA 8 -3.317 -5.272 -7.529 67 HB3 ALA 8 2HB ALA 8 -3.679 -6.181 -6.062 68 H ARG 9 H ARG 9 -2.766 -5.050 -3.810 69 HA ARG 9 HA ARG 9 -3.585 -2.340 -4.047 70 HE ARG 9 HE ARG 9 -5.154 0.618 -1.415 71 HB2 ARG 9 2HB ARG 9 -4.636 -3.969 -2.495 72 HB3 ARG 9 1HB ARG 9 -3.180 -3.941 -1.512 73 HG2 ARG 9 2HG ARG 9 -4.892 -2.524 -0.536 74 HG3 ARG 9 1HG ARG 9 -3.519 -1.552 -1.065 75 HD2 ARG 9 2HD ARG 9 -4.746 -0.980 -3.128 76 HD3 ARG 9 1HD ARG 9 -6.127 -1.913 -2.552 77 HH11 ARG 9 1HH1 ARG 9 -7.555 -1.845 -1.573 78 HH12 ARG 9 2HH1 ARG 9 -8.753 -0.878 -0.784 79 HH21 ARG 9 1HH2 ARG 9 -6.717 1.861 -0.429 80 HH22 ARG 9 2HH2 ARG 9 -8.290 1.189 -0.159 81 H ILE 10 H ILE 10 -0.638 -3.824 -2.752 82 HA ILE 10 HA ILE 10 0.544 -1.558 -1.597 83 HB ILE 10 HB ILE 10 1.852 -3.862 -3.071 84 HG12 ILE 10 2HG1 ILE 10 1.610 -3.272 -0.100 85 HG13 ILE 10 1HG1 ILE 10 0.617 -4.430 -0.981 86 HG21 ILE 10 1HG2 ILE 10 3.964 -3.162 -1.993 87 HG22 ILE 10 2HG2 ILE 10 3.163 -1.708 -1.401 88 HG23 ILE 10 3HG2 ILE 10 3.363 -1.959 -3.134 89 HD11 ILE 10 3HD1 ILE 10 3.598 -4.584 -0.577 90 HD12 ILE 10 1HD1 ILE 10 2.625 -5.741 -1.486 91 HD13 ILE 10 2HD1 ILE 10 2.375 -5.546 0.249 92 H ASN 11 H ASN 11 0.781 -2.741 -4.956 93 HA ASN 11 HA ASN 11 2.207 -0.556 -6.008 94 HB2 ASN 11 2HB ASN 11 0.313 -2.524 -7.301 95 HB3 ASN 11 1HB ASN 11 1.186 -1.305 -8.221 96 HD21 ASN 11 1HD2 ASN 11 1.495 -4.211 -6.314 97 HD22 ASN 11 2HD2 ASN 11 3.106 -4.579 -6.807 98 H GLU 12 H GLU 12 -1.289 -1.074 -5.667 99 HA GLU 12 HA GLU 12 -2.289 1.229 -6.865 100 HB2 GLU 12 2HB GLU 12 -3.734 -0.533 -5.996 101 HB3 GLU 12 1HB GLU 12 -3.204 -0.201 -4.356 102 HG2 GLU 12 2HG GLU 12 -5.332 0.757 -4.521 103 HG3 GLU 12 1HG GLU 12 -4.209 2.108 -4.636 104 H LEU 13 H LEU 13 -1.348 0.801 -3.450 105 HA LEU 13 HA LEU 13 -1.659 3.561 -2.791 106 HG LEU 13 HG LEU 13 -2.655 0.877 -1.610 107 HB2 LEU 13 2HB LEU 13 -0.232 1.344 -1.309 108 HB3 LEU 13 1HB LEU 13 -0.639 2.913 -0.639 109 HD11 LEU 13 1HD1 LEU 13 -3.193 0.545 0.751 110 HD12 LEU 13 2HD1 LEU 13 -1.870 1.619 1.206 111 HD13 LEU 13 3HD1 LEU 13 -1.529 0.091 0.396 112 HD21 LEU 13 3HD2 LEU 13 -3.480 3.151 -1.829 113 HD22 LEU 13 1HD2 LEU 13 -3.033 3.499 -0.159 114 HD23 LEU 13 2HD2 LEU 13 -4.306 2.329 -0.507 115 H ALA 14 H ALA 14 0.960 1.690 -4.102 116 HA ALA 14 HA ALA 14 3.082 3.491 -3.458 117 HB1 ALA 14 3HB ALA 14 4.367 2.275 -5.139 118 HB2 ALA 14 1HB ALA 14 2.894 1.490 -5.714 119 HB3 ALA 14 2HB ALA 14 3.492 1.160 -4.089 120 H ALA 15 H ALA 15 1.032 3.066 -6.341 121 HA ALA 15 HA ALA 15 1.990 5.179 -7.894 122 HB1 ALA 15 3HB ALA 15 -0.865 4.205 -7.664 123 HB2 ALA 15 1HB ALA 15 0.375 3.520 -8.714 124 HB3 ALA 15 2HB ALA 15 -0.201 5.166 -8.988 125 H LYS 16 H LYS 16 -0.649 5.172 -5.504 126 HA LYS 16 HA LYS 16 -1.255 7.882 -5.434 127 HB2 LYS 16 2HB LYS 16 -1.270 5.791 -3.257 128 HB3 LYS 16 1HB LYS 16 -1.915 7.408 -3.021 129 HG2 LYS 16 2HG LYS 16 -3.630 7.055 -4.627 130 HG3 LYS 16 1HG LYS 16 -2.884 5.555 -5.187 131 HD2 LYS 16 2HD LYS 16 -3.405 4.435 -3.150 132 HD3 LYS 16 1HD LYS 16 -3.881 5.942 -2.367 133 HE2 LYS 16 2HE LYS 16 -5.311 4.796 -4.765 134 HE3 LYS 16 1HE LYS 16 -5.770 4.448 -3.102 135 HZ1 LYS 16 3HZ LYS 16 -7.086 6.247 -4.003 136 HZ2 LYS 16 1HZ LYS 16 -5.693 7.142 -4.340 137 HZ3 LYS 16 2HZ LYS 16 -6.122 6.808 -2.733 138 H ALA 17 H ALA 17 1.235 6.132 -3.593 139 HA ALA 17 HA ALA 17 2.135 8.256 -2.002 140 HB1 ALA 17 3HB ALA 17 2.698 5.916 -1.558 141 HB2 ALA 17 1HB ALA 17 4.145 6.923 -1.632 142 HB3 ALA 17 2HB ALA 17 3.722 5.885 -2.995 143 H LYS 18 H LYS 18 3.287 7.163 -5.188 144 HA LYS 18 HA LYS 18 5.354 9.131 -5.357 145 HB2 LYS 18 2HB LYS 18 4.095 7.366 -7.469 146 HB3 LYS 18 1HB LYS 18 5.492 8.398 -7.757 147 HG2 LYS 18 2HG LYS 18 6.762 7.169 -6.070 148 HG3 LYS 18 1HG LYS 18 5.361 6.150 -5.744 149 HD2 LYS 18 2HD LYS 18 6.761 6.340 -8.420 150 HD3 LYS 18 1HD LYS 18 7.056 5.079 -7.223 151 HE2 LYS 18 2HE LYS 18 4.637 4.470 -7.366 152 HE3 LYS 18 1HE LYS 18 4.467 5.633 -8.680 153 HZ1 LYS 18 3HZ LYS 18 6.064 4.377 -9.970 154 HZ2 LYS 18 1HZ LYS 18 4.795 3.370 -9.491 155 HZ3 LYS 18 2HZ LYS 18 6.286 3.284 -8.701 156 H ALA 19 H ALA 19 2.060 8.929 -6.671 157 HA ALA 19 HA ALA 19 2.159 11.441 -8.033 158 HB1 ALA 19 3HB ALA 19 -0.247 9.865 -7.101 159 HB2 ALA 19 1HB ALA 19 0.563 9.691 -8.660 160 HB3 ALA 19 2HB ALA 19 -0.263 11.198 -8.258 161 H GLY 20 H GLY 20 1.824 10.600 -4.736 162 HA2 GLY 20 2HA GLY 20 1.843 12.029 -2.902 163 HA3 GLY 20 1HA GLY 20 1.618 13.388 -3.989 164 H VAL 21 H VAL 21 -0.678 10.963 -4.545 165 HA VAL 21 HA VAL 21 -2.760 12.609 -3.289 166 HB VAL 21 HB VAL 21 -4.359 11.407 -4.662 167 HG11 VAL 21 1HG1 VAL 21 -3.194 13.274 -5.717 168 HG12 VAL 21 2HG1 VAL 21 -3.553 12.021 -6.906 169 HG13 VAL 21 3HG1 VAL 21 -1.918 12.188 -6.267 170 HG21 VAL 21 3HG2 VAL 21 -3.675 9.640 -6.232 171 HG22 VAL 21 1HG2 VAL 21 -3.384 9.163 -4.557 172 HG23 VAL 21 2HG2 VAL 21 -2.040 9.690 -5.573 173 H ILE 22 H ILE 22 -0.974 10.639 -1.814 174 HA ILE 22 HA ILE 22 -3.000 8.741 -0.837 175 HB ILE 22 HB ILE 22 -0.829 7.831 -1.674 176 HG12 ILE 22 2HG1 ILE 22 -1.303 7.324 1.277 177 HG13 ILE 22 1HG1 ILE 22 -2.258 6.619 -0.025 178 HG21 ILE 22 1HG2 ILE 22 0.339 9.174 0.766 179 HG22 ILE 22 2HG2 ILE 22 0.642 9.626 -0.910 180 HG23 ILE 22 3HG2 ILE 22 1.185 8.060 -0.308 181 HD11 ILE 22 3HD1 ILE 22 0.689 6.186 0.422 182 HD12 ILE 22 1HD1 ILE 22 -0.284 5.465 -0.860 183 HD13 ILE 22 2HD1 ILE 22 -0.602 5.057 0.825 184 H THR 23 H THR 23 -3.784 8.861 1.193 185 HA THR 23 HA THR 23 -2.847 11.019 2.942 186 HB THR 23 HB THR 23 -4.849 10.440 4.342 187 HG1 THR 23 HG1 THR 23 -5.661 8.820 2.149 188 HG21 THR 23 3HG2 THR 23 -6.495 11.363 2.780 189 HG22 THR 23 1HG2 THR 23 -5.407 11.037 1.431 190 HG23 THR 23 2HG2 THR 23 -4.956 12.215 2.665 191 H GLU 24 H GLU 24 -2.771 10.571 5.328 192 HA GLU 24 HA GLU 24 -0.750 8.720 5.894 193 HB2 GLU 24 2HB GLU 24 -2.673 10.028 7.830 194 HB3 GLU 24 1HB GLU 24 -1.146 9.266 8.259 195 HG2 GLU 24 2HG GLU 24 -1.450 11.680 6.475 196 HG3 GLU 24 1HG GLU 24 -0.999 11.719 8.173 197 H GLU 25 H GLU 25 -4.239 8.386 6.100 198 HA GLU 25 HA GLU 25 -4.271 5.910 7.504 199 HB2 GLU 25 2HB GLU 25 -6.279 7.241 7.395 200 HB3 GLU 25 1HB GLU 25 -6.283 7.173 5.638 201 HG2 GLU 25 2HG GLU 25 -6.746 4.805 5.679 202 HG3 GLU 25 1HG GLU 25 -6.613 4.777 7.436 203 H GLU 26 H GLU 26 -4.548 6.651 4.007 204 HA GLU 26 HA GLU 26 -4.534 4.008 3.067 205 HB2 GLU 26 2HB GLU 26 -3.410 6.492 1.745 206 HB3 GLU 26 1HB GLU 26 -3.749 4.974 0.925 207 HG2 GLU 26 2HG GLU 26 -6.112 5.211 1.360 208 HG3 GLU 26 1HG GLU 26 -5.821 6.667 2.313 209 H LYS 27 H LYS 27 -1.866 6.194 3.835 210 HA LYS 27 HA LYS 27 0.273 4.495 3.134 211 HB2 LYS 27 2HB LYS 27 0.091 6.686 5.218 212 HB3 LYS 27 1HB LYS 27 1.595 5.911 4.734 213 HG2 LYS 27 2HG LYS 27 1.439 6.788 2.530 214 HG3 LYS 27 1HG LYS 27 -0.217 7.336 2.794 215 HD2 LYS 27 2HD LYS 27 1.368 9.200 2.880 216 HD3 LYS 27 1HD LYS 27 0.565 8.968 4.433 217 HE2 LYS 27 2HE LYS 27 2.552 7.774 5.261 218 HE3 LYS 27 1HE LYS 27 3.345 8.031 3.708 219 HZ1 LYS 27 3HZ LYS 27 3.301 10.386 4.068 220 HZ2 LYS 27 1HZ LYS 27 4.013 9.645 5.411 221 HZ3 LYS 27 2HZ LYS 27 2.419 10.212 5.497 222 H ALA 28 H ALA 28 -1.669 4.759 6.071 223 HA ALA 28 HA ALA 28 -0.153 3.023 7.708 224 HB1 ALA 28 3HB ALA 28 -1.874 4.552 8.577 225 HB2 ALA 28 1HB ALA 28 -2.131 2.893 9.116 226 HB3 ALA 28 2HB ALA 28 -3.122 3.565 7.821 227 H GLU 29 H GLU 29 -2.923 2.398 5.543 228 HA GLU 29 HA GLU 29 -2.967 -0.405 6.000 229 HB2 GLU 29 2HB GLU 29 -4.886 0.809 5.002 230 HB3 GLU 29 1HB GLU 29 -3.931 1.102 3.551 231 HG2 GLU 29 2HG GLU 29 -3.904 -1.197 2.981 232 HG3 GLU 29 1HG GLU 29 -4.501 -1.675 4.568 233 H GLN 30 H GLN 30 -1.297 1.623 3.594 234 HA GLN 30 HA GLN 30 -0.002 -0.338 2.108 235 HB2 GLN 30 2HB GLN 30 0.153 2.051 1.579 236 HB3 GLN 30 1HB GLN 30 1.087 2.334 3.041 237 HG2 GLN 30 2HG GLN 30 2.897 0.937 2.146 238 HG3 GLN 30 1HG GLN 30 1.956 0.672 0.679 239 HE21 GLN 30 1HE2 GLN 30 1.728 2.356 -0.793 240 HE22 GLN 30 2HE2 GLN 30 2.707 3.773 -0.739 241 H GLN 31 H GLN 31 0.903 1.033 5.252 242 HA GLN 31 HA GLN 31 3.232 -0.500 5.687 243 HB2 GLN 31 2HB GLN 31 2.605 1.487 7.025 244 HB3 GLN 31 1HB GLN 31 1.268 0.584 7.724 245 HG2 GLN 31 2HG GLN 31 2.875 -0.995 8.710 246 HG3 GLN 31 1HG GLN 31 4.199 -0.038 8.047 247 HE21 GLN 31 1HE2 GLN 31 5.061 0.457 10.039 248 HE22 GLN 31 2HE2 GLN 31 4.281 1.515 11.160 249 H LYS 32 H LYS 32 -0.153 -1.057 6.644 250 HA LYS 32 HA LYS 32 0.087 -3.466 7.996 251 HB2 LYS 32 2HB LYS 32 -1.974 -2.112 7.856 252 HB3 LYS 32 1HB LYS 32 -2.159 -2.567 6.169 253 HG2 LYS 32 2HG LYS 32 -2.387 -4.938 6.882 254 HG3 LYS 32 1HG LYS 32 -2.327 -4.399 8.562 255 HD2 LYS 32 2HD LYS 32 -4.402 -3.609 6.506 256 HD3 LYS 32 1HD LYS 32 -4.635 -4.740 7.839 257 HE2 LYS 32 2HE LYS 32 -4.221 -2.926 9.443 258 HE3 LYS 32 1HE LYS 32 -3.996 -1.798 8.106 259 HZ1 LYS 32 3HZ LYS 32 -6.491 -3.258 8.780 260 HZ2 LYS 32 1HZ LYS 32 -6.296 -2.270 7.421 261 HZ3 LYS 32 2HZ LYS 32 -6.210 -1.598 8.968 262 H LEU 33 H LEU 33 -0.403 -2.950 4.508 263 HA LEU 33 HA LEU 33 -0.469 -5.662 3.732 264 HG LEU 33 HG LEU 33 -1.786 -2.861 2.941 265 HB2 LEU 33 2HB LEU 33 0.506 -3.297 2.117 266 HB3 LEU 33 1HB LEU 33 -0.029 -4.839 1.476 267 HD11 LEU 33 1HD1 LEU 33 -1.646 -3.517 0.002 268 HD12 LEU 33 2HD1 LEU 33 -1.068 -2.033 0.757 269 HD13 LEU 33 3HD1 LEU 33 -2.788 -2.416 0.776 270 HD21 LEU 33 3HD2 LEU 33 -3.638 -4.273 2.208 271 HD22 LEU 33 1HD2 LEU 33 -2.527 -5.170 3.241 272 HD23 LEU 33 2HD2 LEU 33 -2.498 -5.414 1.493 273 H ARG 34 H ARG 34 2.214 -3.340 3.948 274 HA ARG 34 HA ARG 34 4.211 -5.055 2.932 275 HE ARG 34 HE ARG 34 3.905 -0.480 4.060 276 HB2 ARG 34 2HB ARG 34 4.370 -2.627 4.720 277 HB3 ARG 34 1HB ARG 34 5.795 -3.468 4.119 278 HG2 ARG 34 2HG ARG 34 5.154 -3.005 1.829 279 HG3 ARG 34 1HG ARG 34 3.656 -2.250 2.373 280 HD2 ARG 34 2HD ARG 34 6.421 -1.270 3.082 281 HD3 ARG 34 1HD ARG 34 5.446 -0.631 1.760 282 HH11 ARG 34 1HH1 ARG 34 6.835 0.865 2.857 283 HH12 ARG 34 2HH1 ARG 34 6.647 2.336 3.741 284 HH21 ARG 34 1HH2 ARG 34 3.675 1.453 5.178 285 HH22 ARG 34 2HH2 ARG 34 4.895 2.666 5.032 286 H GLN 35 H GLN 35 2.890 -4.694 6.179 287 HA GLN 35 HA GLN 35 4.771 -6.262 7.566 288 HB2 GLN 35 2HB GLN 35 1.788 -5.997 8.050 289 HB3 GLN 35 1HB GLN 35 2.935 -6.693 9.187 290 HG2 GLN 35 2HG GLN 35 2.955 -3.843 8.195 291 HG3 GLN 35 1HG GLN 35 2.355 -4.386 9.760 292 HE21 GLN 35 1HE2 GLN 35 4.545 -2.534 9.019 293 HE22 GLN 35 2HE2 GLN 35 5.943 -3.137 9.832 294 H GLU 36 H GLU 36 1.644 -7.256 6.145 295 HA GLU 36 HA GLU 36 1.896 -10.021 6.307 296 HB2 GLU 36 2HB GLU 36 0.641 -8.323 4.131 297 HB3 GLU 36 1HB GLU 36 0.426 -10.062 4.257 298 HG2 GLU 36 2HG GLU 36 -0.326 -8.167 6.469 299 HG3 GLU 36 1HG GLU 36 -1.433 -8.610 5.171 300 H TYR 37 H TYR 37 3.180 -7.792 3.910 301 HA TYR 37 HA TYR 37 4.272 -9.673 2.115 302 HD1 TYR 37 HD2 TYR 37 4.537 -8.572 -0.538 303 HD2 TYR 37 HD1 TYR 37 7.387 -6.770 2.072 304 HE1 TYR 37 HE2 TYR 37 6.221 -8.648 -2.327 305 HE2 TYR 37 HE1 TYR 37 9.072 -6.840 0.285 306 HH TYR 37 HH TYR 37 9.519 -8.122 -1.783 307 HB2 TYR 37 2HB TYR 37 3.851 -7.332 1.536 308 HB3 TYR 37 1HB TYR 37 5.076 -6.811 2.683 309 H LEU 38 H LEU 38 5.552 -8.210 5.055 310 HA LEU 38 HA LEU 38 8.209 -9.325 4.583 311 HG LEU 38 HG LEU 38 7.513 -6.350 4.624 312 HB2 LEU 38 2HB LEU 38 7.133 -7.531 6.759 313 HB3 LEU 38 1HB LEU 38 8.782 -8.130 6.722 314 HD11 LEU 38 1HD1 LEU 38 9.027 -4.627 5.474 315 HD12 LEU 38 2HD1 LEU 38 9.581 -5.729 6.735 316 HD13 LEU 38 3HD1 LEU 38 7.907 -5.172 6.723 317 HD21 LEU 38 3HD2 LEU 38 9.777 -6.181 3.694 318 HD22 LEU 38 1HD2 LEU 38 9.188 -7.841 3.651 319 HD23 LEU 38 2HD2 LEU 38 10.356 -7.352 4.879 320 H LYS 39 H LYS 39 5.391 -10.495 5.978 321 HA LYS 39 HA LYS 39 6.323 -11.843 8.262 322 HB2 LYS 39 2HB LYS 39 4.215 -12.779 6.296 323 HB3 LYS 39 1HB LYS 39 4.450 -13.421 7.916 324 HG2 LYS 39 2HG LYS 39 3.691 -10.574 7.278 325 HG3 LYS 39 1HG LYS 39 2.559 -11.837 7.745 326 HD2 LYS 39 2HD LYS 39 4.891 -11.203 9.516 327 HD3 LYS 39 1HD LYS 39 3.479 -10.151 9.527 328 HE2 LYS 39 2HE LYS 39 3.286 -11.781 11.291 329 HE3 LYS 39 1HE LYS 39 2.062 -12.100 10.068 330 HZ1 LYS 39 3HZ LYS 39 3.124 -14.120 10.860 331 HZ2 LYS 39 1HZ LYS 39 4.631 -13.558 10.347 332 HZ3 LYS 39 2HZ LYS 39 3.428 -13.891 9.213 333 H GLY 40 H GLY 40 8.391 -12.707 7.944 334 HA2 GLY 40 2HA GLY 40 9.845 -14.452 7.538 335 HA3 GLY 40 1HA GLY 40 8.494 -15.362 6.892 336 H PHE 41 H PHE 41 9.180 -12.270 5.489 337 HA PHE 41 HA PHE 41 9.586 -13.420 2.906 338 HD1 PHE 41 HD1 PHE 41 8.290 -12.072 0.875 339 HD2 PHE 41 HD2 PHE 41 11.526 -9.681 2.278 340 HE1 PHE 41 HE1 PHE 41 8.853 -11.476 -1.444 341 HE2 PHE 41 HE2 PHE 41 12.090 -9.084 -0.039 342 HZ PHE 41 HZ PHE 41 10.754 -9.979 -1.903 343 HB2 PHE 41 2HB PHE 41 8.447 -11.256 3.260 344 HB3 PHE 41 1HB PHE 41 9.960 -10.554 3.814 345 H ARG 42 H ARG 42 11.734 -11.390 4.927 346 HA ARG 42 HA ARG 42 14.036 -11.899 3.304 347 HE ARG 42 HE ARG 42 13.329 -6.959 3.825 348 HB2 ARG 42 2HB ARG 42 13.859 -10.763 6.107 349 HB3 ARG 42 1HB ARG 42 15.290 -10.721 5.081 350 HG2 ARG 42 2HG ARG 42 14.101 -9.323 3.465 351 HG3 ARG 42 1HG ARG 42 12.654 -9.382 4.473 352 HD2 ARG 42 2HD ARG 42 13.883 -8.270 6.285 353 HD3 ARG 42 1HD ARG 42 15.318 -8.196 5.264 354 HH11 ARG 42 1HH1 ARG 42 14.843 -6.475 6.884 355 HH12 ARG 42 2HH1 ARG 42 14.590 -4.765 6.856 356 HH21 ARG 42 1HH2 ARG 42 12.994 -4.757 3.818 357 HH22 ARG 42 2HH2 ARG 42 13.518 -3.817 5.171 358 H SER 43 H SER 43 13.569 -12.725 6.775 359 HA SER 43 HA SER 43 15.386 -14.972 6.488 360 HG SER 43 HG SER 43 13.827 -13.554 9.968 361 HB2 SER 43 2HB SER 43 14.968 -15.335 8.921 362 HB3 SER 43 1HB SER 43 15.534 -13.711 8.550 363 H SER 44 H SER 44 14.424 -16.466 5.185 364 HA SER 44 HA SER 44 11.684 -17.259 5.434 365 HG SER 44 HG SER 44 14.659 -18.271 2.994 366 HB2 SER 44 2HB SER 44 12.280 -18.972 3.730 367 HB3 SER 44 1HB SER 44 12.790 -17.349 3.269 368 H MET 45 H MET 45 10.868 -19.326 6.000 369 HA MET 45 HA MET 45 12.050 -20.465 8.345 370 HB2 MET 45 2HB MET 45 9.707 -21.432 6.687 371 HB3 MET 45 1HB MET 45 10.134 -22.019 8.288 372 HG2 MET 45 2HG MET 45 8.303 -20.478 8.447 373 HG3 MET 45 1HG MET 45 9.732 -19.775 9.201 374 HE1 MET 45 3HE MET 45 7.889 -16.643 7.740 375 HE2 MET 45 1HE MET 45 8.587 -17.378 9.181 376 HE3 MET 45 2HE MET 45 7.149 -18.079 8.441 377 H LYS 46 H LYS 46 11.875 -21.400 4.964 378 HA LYS 46 HA LYS 46 12.701 -23.134 3.753 379 HB2 LYS 46 2HB LYS 46 14.869 -22.393 4.622 380 HB3 LYS 46 1HB LYS 46 14.642 -23.361 6.070 381 HG2 LYS 46 2HG LYS 46 16.169 -24.490 4.600 382 HG3 LYS 46 1HG LYS 46 14.663 -25.405 4.676 383 HD2 LYS 46 2HD LYS 46 15.467 -25.316 2.387 384 HD3 LYS 46 1HD LYS 46 13.967 -24.399 2.530 385 HE2 LYS 46 2HE LYS 46 15.217 -22.314 2.598 386 HE3 LYS 46 1HE LYS 46 16.741 -23.201 2.561 387 HZ1 LYS 46 3HZ LYS 46 16.084 -24.071 0.371 388 HZ2 LYS 46 1HZ LYS 46 16.233 -22.387 0.386 389 HZ3 LYS 46 2HZ LYS 46 14.700 -23.101 0.409 390 H LEU 47 H LEU 47 10.944 -24.490 3.779 391 HA LEU 47 HA LEU 47 11.102 -26.999 5.066 392 HG LEU 47 HG LEU 47 10.059 -27.884 7.157 393 HB2 LEU 47 2HB LEU 47 10.442 -25.393 6.976 394 HB3 LEU 47 1HB LEU 47 8.888 -25.268 6.183 395 HD11 LEU 47 1HD1 LEU 47 8.566 -27.689 9.079 396 HD12 LEU 47 2HD1 LEU 47 8.078 -26.079 8.550 397 HD13 LEU 47 3HD1 LEU 47 9.744 -26.377 9.049 398 HD21 LEU 47 3HD2 LEU 47 7.718 -28.666 7.020 399 HD22 LEU 47 1HD2 LEU 47 8.370 -28.199 5.451 400 HD23 LEU 47 2HD2 LEU 47 7.262 -27.121 6.298 401 H GLU 48 H GLU 48 10.429 -28.077 3.295 402 HA GLU 48 HA GLU 48 8.274 -27.095 1.619 403 HB2 GLU 48 2HB GLU 48 9.973 -29.594 1.466 404 HB3 GLU 48 1HB GLU 48 8.741 -29.176 0.286 405 HG2 GLU 48 2HG GLU 48 10.870 -28.563 -0.592 406 HG3 GLU 48 1HG GLU 48 9.983 -27.090 -0.210 Start of MODEL 18 1 HA MET 1 HA MET 1 0.956 -12.195 6.021 2 H1 MET 1 1H MET 1 -0.814 -12.939 7.497 3 H2 MET 1 2H MET 1 -1.911 -12.907 6.218 4 H3 MET 1 3H MET 1 -1.181 -11.477 6.741 5 HB2 MET 1 2HB MET 1 -0.477 -14.718 5.150 6 HB3 MET 1 1HB MET 1 1.199 -14.332 4.777 7 HG2 MET 1 2HG MET 1 1.724 -14.322 7.175 8 HG3 MET 1 1HG MET 1 0.049 -14.731 7.537 9 HE1 MET 1 3HE MET 1 -1.086 -17.047 6.833 10 HE2 MET 1 1HE MET 1 -0.238 -18.316 5.945 11 HE3 MET 1 2HE MET 1 -0.600 -16.778 5.159 12 H ILE 2 H ILE 2 1.551 -12.599 3.527 13 HA ILE 2 HA ILE 2 -0.050 -10.579 2.205 14 HB ILE 2 HB ILE 2 2.469 -10.582 2.219 15 HG12 ILE 2 2HG1 ILE 2 2.640 -9.857 -0.197 16 HG13 ILE 2 1HG1 ILE 2 0.996 -10.448 -0.422 17 HG21 ILE 2 1HG2 ILE 2 2.830 -12.960 1.771 18 HG22 ILE 2 2HG2 ILE 2 3.651 -11.950 0.581 19 HG23 ILE 2 3HG2 ILE 2 2.145 -12.764 0.155 20 HD11 ILE 2 3HD1 ILE 2 0.192 -8.847 1.234 21 HD12 ILE 2 1HD1 ILE 2 1.027 -8.048 -0.099 22 HD13 ILE 2 2HD1 ILE 2 1.837 -8.252 1.454 23 H SER 3 H SER 3 -0.876 -10.733 0.079 24 HA SER 3 HA SER 3 -1.092 -13.361 -1.181 25 HG SER 3 HG SER 3 -4.626 -11.505 -0.278 26 HB2 SER 3 2HB SER 3 -3.518 -13.169 -1.476 27 HB3 SER 3 1HB SER 3 -3.128 -13.135 0.241 28 H ASN 4 H ASN 4 -1.727 -13.182 -3.470 29 HA ASN 4 HA ASN 4 -0.402 -11.122 -4.795 30 HB2 ASN 4 2HB ASN 4 -2.580 -12.936 -5.858 31 HB3 ASN 4 1HB ASN 4 -1.531 -11.932 -6.859 32 HD21 ASN 4 1HD2 ASN 4 -0.477 -13.540 -7.921 33 HD22 ASN 4 2HD2 ASN 4 0.569 -14.678 -7.144 34 H ALA 5 H ALA 5 -3.805 -11.356 -3.903 35 HA ALA 5 HA ALA 5 -4.742 -9.049 -5.226 36 HB1 ALA 5 3HB ALA 5 -6.606 -9.108 -3.656 37 HB2 ALA 5 1HB ALA 5 -5.717 -10.223 -2.616 38 HB3 ALA 5 2HB ALA 5 -6.231 -10.736 -4.224 39 H LYS 6 H LYS 6 -3.367 -9.482 -1.958 40 HA LYS 6 HA LYS 6 -3.522 -6.765 -1.174 41 HB2 LYS 6 2HB LYS 6 -1.701 -9.002 -0.262 42 HB3 LYS 6 1HB LYS 6 -1.706 -7.407 0.477 43 HG2 LYS 6 2HG LYS 6 -4.049 -7.698 1.111 44 HG3 LYS 6 1HG LYS 6 -4.059 -9.291 0.354 45 HD2 LYS 6 2HD LYS 6 -2.364 -10.078 1.930 46 HD3 LYS 6 1HD LYS 6 -2.277 -8.474 2.663 47 HE2 LYS 6 2HE LYS 6 -4.610 -8.659 3.365 48 HE3 LYS 6 1HE LYS 6 -4.726 -10.243 2.600 49 HZ1 LYS 6 3HZ LYS 6 -2.850 -9.607 4.813 50 HZ2 LYS 6 1HZ LYS 6 -3.172 -11.132 4.155 51 HZ3 LYS 6 2HZ LYS 6 -4.366 -10.316 5.031 52 H ILE 7 H ILE 7 -1.027 -8.590 -2.915 53 HA ILE 7 HA ILE 7 1.009 -6.652 -2.890 54 HB ILE 7 HB ILE 7 0.404 -8.704 -5.035 55 HG12 ILE 7 2HG1 ILE 7 2.302 -8.814 -2.670 56 HG13 ILE 7 1HG1 ILE 7 0.768 -9.668 -2.783 57 HG21 ILE 7 1HG2 ILE 7 2.769 -8.452 -5.674 58 HG22 ILE 7 2HG2 ILE 7 2.938 -7.139 -4.507 59 HG23 ILE 7 3HG2 ILE 7 1.865 -6.954 -5.897 60 HD11 ILE 7 3HD1 ILE 7 3.168 -10.105 -4.549 61 HD12 ILE 7 1HD1 ILE 7 1.626 -10.959 -4.671 62 HD13 ILE 7 2HD1 ILE 7 2.631 -11.147 -3.231 63 H ALA 8 H ALA 8 -1.561 -7.222 -5.304 64 HA ALA 8 HA ALA 8 -1.016 -5.088 -7.019 65 HB1 ALA 8 3HB ALA 8 -2.660 -6.851 -7.506 66 HB2 ALA 8 1HB ALA 8 -3.353 -5.240 -7.708 67 HB3 ALA 8 2HB ALA 8 -3.730 -6.189 -6.270 68 H ARG 9 H ARG 9 -3.070 -5.170 -4.115 69 HA ARG 9 HA ARG 9 -3.888 -2.496 -4.090 70 HE ARG 9 HE ARG 9 -5.489 -0.460 -0.228 71 HB2 ARG 9 2HB ARG 9 -4.874 -4.218 -2.655 72 HB3 ARG 9 1HB ARG 9 -3.371 -4.354 -1.754 73 HG2 ARG 9 2HG ARG 9 -4.963 -3.079 -0.482 74 HG3 ARG 9 1HG ARG 9 -3.645 -2.023 -0.987 75 HD2 ARG 9 2HD ARG 9 -5.019 -1.091 -2.753 76 HD3 ARG 9 1HD ARG 9 -6.315 -2.231 -2.386 77 HH11 ARG 9 1HH1 ARG 9 -7.731 -1.074 -2.768 78 HH12 ARG 9 2HH1 ARG 9 -8.951 -0.074 -2.067 79 HH21 ARG 9 1HH2 ARG 9 -7.050 0.793 0.658 80 HH22 ARG 9 2HH2 ARG 9 -8.569 0.987 -0.156 81 H ILE 10 H ILE 10 -0.962 -3.977 -2.666 82 HA ILE 10 HA ILE 10 0.087 -1.714 -1.403 83 HB ILE 10 HB ILE 10 1.536 -4.036 -2.692 84 HG12 ILE 10 2HG1 ILE 10 0.977 -3.420 0.226 85 HG13 ILE 10 1HG1 ILE 10 0.053 -4.555 -0.754 86 HG21 ILE 10 1HG2 ILE 10 3.511 -3.349 -1.380 87 HG22 ILE 10 2HG2 ILE 10 2.663 -1.877 -0.901 88 HG23 ILE 10 3HG2 ILE 10 3.064 -2.154 -2.597 89 HD11 ILE 10 3HD1 ILE 10 2.047 -5.932 -1.037 90 HD12 ILE 10 1HD1 ILE 10 1.652 -5.699 0.666 91 HD13 ILE 10 2HD1 ILE 10 2.973 -4.791 -0.061 92 H ASN 11 H ASN 11 0.582 -2.853 -4.744 93 HA ASN 11 HA ASN 11 2.246 -0.683 -5.518 94 HB2 ASN 11 2HB ASN 11 0.647 -2.698 -7.088 95 HB3 ASN 11 1HB ASN 11 1.574 -1.427 -7.880 96 HD21 ASN 11 1HD2 ASN 11 1.760 -4.336 -5.975 97 HD22 ASN 11 2HD2 ASN 11 3.447 -4.610 -6.216 98 H GLU 12 H GLU 12 -1.254 -1.133 -5.549 99 HA GLU 12 HA GLU 12 -1.959 1.155 -7.047 100 HB2 GLU 12 2HB GLU 12 -3.590 -0.571 -6.502 101 HB3 GLU 12 1HB GLU 12 -3.432 -0.229 -4.785 102 HG2 GLU 12 2HG GLU 12 -4.384 2.005 -5.141 103 HG3 GLU 12 1HG GLU 12 -4.535 1.663 -6.866 104 H LEU 13 H LEU 13 -1.639 0.731 -3.522 105 HA LEU 13 HA LEU 13 -2.008 3.463 -2.855 106 HG LEU 13 HG LEU 13 -2.941 0.689 -1.747 107 HB2 LEU 13 2HB LEU 13 -0.566 1.289 -1.319 108 HB3 LEU 13 1HB LEU 13 -1.093 2.825 -0.654 109 HD11 LEU 13 1HD1 LEU 13 -3.561 0.279 0.574 110 HD12 LEU 13 2HD1 LEU 13 -2.355 1.453 1.116 111 HD13 LEU 13 3HD1 LEU 13 -1.843 -0.034 0.313 112 HD21 LEU 13 3HD2 LEU 13 -3.853 2.940 -1.985 113 HD22 LEU 13 1HD2 LEU 13 -3.545 3.262 -0.278 114 HD23 LEU 13 2HD2 LEU 13 -4.724 2.036 -0.747 115 H ALA 14 H ALA 14 0.898 1.509 -3.437 116 HA ALA 14 HA ALA 14 2.851 3.419 -2.875 117 HB1 ALA 14 3HB ALA 14 2.962 1.271 -4.996 118 HB2 ALA 14 1HB ALA 14 3.368 1.056 -3.292 119 HB3 ALA 14 2HB ALA 14 4.344 2.122 -4.306 120 H ALA 15 H ALA 15 1.083 2.820 -5.912 121 HA ALA 15 HA ALA 15 2.320 4.793 -7.484 122 HB1 ALA 15 3HB ALA 15 -0.530 3.802 -7.630 123 HB2 ALA 15 1HB ALA 15 0.866 3.063 -8.417 124 HB3 ALA 15 2HB ALA 15 0.331 4.672 -8.902 125 H LYS 16 H LYS 16 -0.310 5.001 -5.153 126 HA LYS 16 HA LYS 16 -1.002 7.718 -5.623 127 HB2 LYS 16 2HB LYS 16 -1.326 5.986 -3.162 128 HB3 LYS 16 1HB LYS 16 -2.011 7.598 -3.328 129 HG2 LYS 16 2HG LYS 16 -3.408 6.875 -5.151 130 HG3 LYS 16 1HG LYS 16 -2.650 5.280 -5.149 131 HD2 LYS 16 2HD LYS 16 -3.559 4.774 -2.990 132 HD3 LYS 16 1HD LYS 16 -4.122 6.431 -2.777 133 HE2 LYS 16 2HE LYS 16 -5.123 4.515 -4.886 134 HE3 LYS 16 1HE LYS 16 -5.941 4.867 -3.365 135 HZ1 LYS 16 3HZ LYS 16 -5.462 6.713 -5.630 136 HZ2 LYS 16 1HZ LYS 16 -5.950 7.249 -4.103 137 HZ3 LYS 16 2HZ LYS 16 -6.942 6.214 -4.990 138 H ALA 17 H ALA 17 1.361 6.151 -3.518 139 HA ALA 17 HA ALA 17 2.218 8.554 -2.213 140 HB1 ALA 17 3HB ALA 17 3.619 5.890 -2.455 141 HB2 ALA 17 1HB ALA 17 2.490 6.353 -1.181 142 HB3 ALA 17 2HB ALA 17 4.037 7.185 -1.332 143 H LYS 18 H LYS 18 3.270 6.779 -5.069 144 HA LYS 18 HA LYS 18 5.640 8.265 -5.563 145 HB2 LYS 18 2HB LYS 18 3.876 6.659 -7.428 146 HB3 LYS 18 1HB LYS 18 5.435 7.335 -7.886 147 HG2 LYS 18 2HG LYS 18 6.588 5.941 -6.330 148 HG3 LYS 18 1HG LYS 18 5.076 5.406 -5.599 149 HD2 LYS 18 2HD LYS 18 5.979 3.678 -7.057 150 HD3 LYS 18 1HD LYS 18 4.457 4.295 -7.701 151 HE2 LYS 18 2HE LYS 18 5.707 5.707 -9.279 152 HE3 LYS 18 1HE LYS 18 7.224 5.071 -8.638 153 HZ1 LYS 18 3HZ LYS 18 5.104 3.466 -9.961 154 HZ2 LYS 18 1HZ LYS 18 6.567 2.867 -9.358 155 HZ3 LYS 18 2HZ LYS 18 6.566 3.935 -10.667 156 H ALA 19 H ALA 19 2.278 8.640 -6.644 157 HA ALA 19 HA ALA 19 2.745 11.007 -8.170 158 HB1 ALA 19 3HB ALA 19 0.195 9.996 -6.905 159 HB2 ALA 19 1HB ALA 19 0.771 9.618 -8.529 160 HB3 ALA 19 2HB ALA 19 0.306 11.272 -8.121 161 H GLY 20 H GLY 20 1.571 10.432 -4.858 162 HA2 GLY 20 2HA GLY 20 2.241 11.877 -3.038 163 HA3 GLY 20 1HA GLY 20 2.298 13.214 -4.175 164 H VAL 21 H VAL 21 -0.346 10.874 -3.940 165 HA VAL 21 HA VAL 21 -2.127 13.072 -3.063 166 HB VAL 21 HB VAL 21 -3.956 11.946 -4.228 167 HG11 VAL 21 1HG1 VAL 21 -1.536 12.333 -5.998 168 HG12 VAL 21 2HG1 VAL 21 -2.658 13.589 -5.476 169 HG13 VAL 21 3HG1 VAL 21 -3.214 12.300 -6.545 170 HG21 VAL 21 3HG2 VAL 21 -3.524 10.003 -5.693 171 HG22 VAL 21 1HG2 VAL 21 -3.233 9.626 -3.994 172 HG23 VAL 21 2HG2 VAL 21 -1.873 9.920 -5.079 173 H ILE 22 H ILE 22 -0.734 10.259 -1.982 174 HA ILE 22 HA ILE 22 -2.988 8.875 -0.904 175 HB ILE 22 HB ILE 22 -0.894 7.751 -1.581 176 HG12 ILE 22 2HG1 ILE 22 -1.515 7.327 1.355 177 HG13 ILE 22 1HG1 ILE 22 -2.500 6.711 0.034 178 HG21 ILE 22 1HG2 ILE 22 0.293 9.046 0.879 179 HG22 ILE 22 2HG2 ILE 22 0.722 9.391 -0.798 180 HG23 ILE 22 3HG2 ILE 22 1.071 7.808 -0.107 181 HD11 ILE 22 3HD1 ILE 22 -1.043 4.995 0.940 182 HD12 ILE 22 1HD1 ILE 22 0.370 5.983 0.576 183 HD13 ILE 22 2HD1 ILE 22 -0.628 5.358 -0.737 184 H THR 23 H THR 23 -3.806 8.808 1.147 185 HA THR 23 HA THR 23 -2.998 10.943 3.001 186 HB THR 23 HB THR 23 -5.079 10.466 4.207 187 HG1 THR 23 HG1 THR 23 -5.744 8.575 2.187 188 HG21 THR 23 3HG2 THR 23 -6.673 11.106 2.460 189 HG22 THR 23 1HG2 THR 23 -5.497 10.674 1.221 190 HG23 THR 23 2HG2 THR 23 -5.169 12.014 2.318 191 H GLU 24 H GLU 24 -2.996 10.441 5.364 192 HA GLU 24 HA GLU 24 -1.075 8.485 5.960 193 HB2 GLU 24 2HB GLU 24 -2.983 9.827 7.884 194 HB3 GLU 24 1HB GLU 24 -1.482 9.016 8.310 195 HG2 GLU 24 2HG GLU 24 -0.285 10.702 6.874 196 HG3 GLU 24 1HG GLU 24 -1.814 11.565 6.742 197 H GLU 25 H GLU 25 -4.609 8.368 6.230 198 HA GLU 25 HA GLU 25 -4.842 5.900 7.552 199 HB2 GLU 25 2HB GLU 25 -6.789 7.284 7.234 200 HB3 GLU 25 1HB GLU 25 -6.632 7.193 5.483 201 HG2 GLU 25 2HG GLU 25 -7.147 4.812 5.542 202 HG3 GLU 25 1HG GLU 25 -7.255 4.869 7.301 203 H GLU 26 H GLU 26 -4.762 6.584 4.053 204 HA GLU 26 HA GLU 26 -4.741 3.901 3.193 205 HB2 GLU 26 2HB GLU 26 -3.591 6.356 1.840 206 HB3 GLU 26 1HB GLU 26 -3.868 4.804 1.057 207 HG2 GLU 26 2HG GLU 26 -6.240 5.009 1.342 208 HG3 GLU 26 1HG GLU 26 -6.042 6.464 2.320 209 H LYS 27 H LYS 27 -2.121 6.097 4.108 210 HA LYS 27 HA LYS 27 0.016 4.358 3.413 211 HB2 LYS 27 2HB LYS 27 -0.098 6.627 5.410 212 HB3 LYS 27 1HB LYS 27 1.378 5.800 4.933 213 HG2 LYS 27 2HG LYS 27 1.019 6.530 2.608 214 HG3 LYS 27 1HG LYS 27 -0.426 7.402 3.122 215 HD2 LYS 27 2HD LYS 27 1.474 8.923 2.945 216 HD3 LYS 27 1HD LYS 27 0.948 8.781 4.624 217 HE2 LYS 27 2HE LYS 27 2.758 7.148 5.026 218 HE3 LYS 27 1HE LYS 27 3.301 7.364 3.361 219 HZ1 LYS 27 3HZ LYS 27 4.588 8.695 4.918 220 HZ2 LYS 27 1HZ LYS 27 3.188 9.495 5.427 221 HZ3 LYS 27 2HZ LYS 27 3.740 9.682 3.842 222 H ALA 28 H ALA 28 -1.988 4.647 6.294 223 HA ALA 28 HA ALA 28 -0.461 2.936 7.973 224 HB1 ALA 28 3HB ALA 28 -2.513 2.738 9.309 225 HB2 ALA 28 1HB ALA 28 -3.431 3.497 8.008 226 HB3 ALA 28 2HB ALA 28 -2.193 4.414 8.865 227 H GLU 29 H GLU 29 -3.285 2.336 5.894 228 HA GLU 29 HA GLU 29 -3.413 -0.447 6.104 229 HB2 GLU 29 2HB GLU 29 -5.157 0.869 5.021 230 HB3 GLU 29 1HB GLU 29 -4.042 1.368 3.758 231 HG2 GLU 29 2HG GLU 29 -3.877 -0.974 3.008 232 HG3 GLU 29 1HG GLU 29 -5.043 -1.435 4.248 233 H GLN 30 H GLN 30 -1.683 1.536 3.694 234 HA GLN 30 HA GLN 30 -0.364 -0.435 2.268 235 HB2 GLN 30 2HB GLN 30 -0.312 1.846 1.524 236 HB3 GLN 30 1HB GLN 30 0.489 2.372 2.996 237 HG2 GLN 30 2HG GLN 30 2.519 1.247 2.356 238 HG3 GLN 30 1HG GLN 30 1.730 0.542 0.946 239 HE21 GLN 30 1HE2 GLN 30 4.060 2.362 1.235 240 HE22 GLN 30 2HE2 GLN 30 3.711 3.699 0.201 241 H GLN 31 H GLN 31 0.689 1.166 5.264 242 HA GLN 31 HA GLN 31 3.165 -0.100 5.586 243 HB2 GLN 31 2HB GLN 31 2.415 1.815 6.944 244 HB3 GLN 31 1HB GLN 31 1.212 0.800 7.724 245 HG2 GLN 31 2HG GLN 31 2.974 -0.561 8.717 246 HG3 GLN 31 1HG GLN 31 4.199 0.411 7.902 247 HE21 GLN 31 1HE2 GLN 31 1.881 0.302 10.484 248 HE22 GLN 31 2HE2 GLN 31 2.427 1.726 11.296 249 H LYS 32 H LYS 32 -0.010 -1.025 6.935 250 HA LYS 32 HA LYS 32 0.750 -3.404 8.186 251 HB2 LYS 32 2HB LYS 32 -1.404 -2.331 8.593 252 HB3 LYS 32 1HB LYS 32 -1.907 -2.659 6.941 253 HG2 LYS 32 2HG LYS 32 -1.880 -5.058 7.389 254 HG3 LYS 32 1HG LYS 32 -1.315 -4.753 9.034 255 HD2 LYS 32 2HD LYS 32 -3.381 -3.551 9.539 256 HD3 LYS 32 1HD LYS 32 -3.948 -3.794 7.885 257 HE2 LYS 32 2HE LYS 32 -4.982 -5.395 9.415 258 HE3 LYS 32 1HE LYS 32 -3.954 -6.221 8.243 259 HZ1 LYS 32 3HZ LYS 32 -2.207 -6.310 9.944 260 HZ2 LYS 32 1HZ LYS 32 -3.604 -7.123 10.433 261 HZ3 LYS 32 2HZ LYS 32 -3.253 -5.597 11.061 262 H LEU 33 H LEU 33 -0.505 -2.923 4.882 263 HA LEU 33 HA LEU 33 -0.487 -5.647 4.126 264 HG LEU 33 HG LEU 33 -2.421 -3.257 3.673 265 HB2 LEU 33 2HB LEU 33 -0.300 -3.155 2.428 266 HB3 LEU 33 1HB LEU 33 -0.589 -4.769 1.799 267 HD11 LEU 33 1HD1 LEU 33 -2.701 -3.890 0.735 268 HD12 LEU 33 2HD1 LEU 33 -2.418 -2.297 1.441 269 HD13 LEU 33 3HD1 LEU 33 -3.936 -3.142 1.750 270 HD21 LEU 33 3HD2 LEU 33 -4.007 -5.085 3.267 271 HD22 LEU 33 1HD2 LEU 33 -2.542 -5.659 4.062 272 HD23 LEU 33 2HD2 LEU 33 -2.779 -5.945 2.337 273 H ARG 34 H ARG 34 1.981 -3.112 3.867 274 HA ARG 34 HA ARG 34 3.842 -4.658 2.390 275 HE ARG 34 HE ARG 34 5.098 -0.862 -0.152 276 HB2 ARG 34 2HB ARG 34 4.100 -2.202 4.100 277 HB3 ARG 34 1HB ARG 34 5.543 -3.021 3.513 278 HG2 ARG 34 2HG ARG 34 4.685 -2.771 1.194 279 HG3 ARG 34 1HG ARG 34 3.333 -1.836 1.834 280 HD2 ARG 34 2HD ARG 34 4.784 -0.107 2.603 281 HD3 ARG 34 1HD ARG 34 6.213 -1.093 2.306 282 HH11 ARG 34 1HH1 ARG 34 5.954 1.453 2.254 283 HH12 ARG 34 2HH1 ARG 34 6.349 2.671 1.092 284 HH21 ARG 34 1HH2 ARG 34 5.612 0.698 -1.627 285 HH22 ARG 34 2HH2 ARG 34 6.167 2.247 -1.083 286 H GLN 35 H GLN 35 3.252 -4.352 5.882 287 HA GLN 35 HA GLN 35 5.424 -5.925 6.758 288 HB2 GLN 35 2HB GLN 35 2.657 -5.731 7.982 289 HB3 GLN 35 1HB GLN 35 4.090 -6.361 8.787 290 HG2 GLN 35 2HG GLN 35 3.637 -3.527 7.869 291 HG3 GLN 35 1HG GLN 35 3.641 -4.112 9.530 292 HE21 GLN 35 1HE2 GLN 35 5.289 -2.081 8.189 293 HE22 GLN 35 2HE2 GLN 35 6.927 -2.559 8.449 294 H GLU 36 H GLU 36 2.115 -6.845 5.831 295 HA GLU 36 HA GLU 36 2.216 -9.602 6.041 296 HB2 GLU 36 2HB GLU 36 0.997 -7.998 3.770 297 HB3 GLU 36 1HB GLU 36 0.602 -9.664 4.163 298 HG2 GLU 36 2HG GLU 36 0.183 -7.377 6.070 299 HG3 GLU 36 1HG GLU 36 -1.037 -7.919 4.920 300 H TYR 37 H TYR 37 3.438 -7.547 3.450 301 HA TYR 37 HA TYR 37 4.324 -9.631 1.726 302 HD1 TYR 37 HD2 TYR 37 3.797 -8.609 -0.976 303 HD2 TYR 37 HD1 TYR 37 7.419 -7.130 0.711 304 HE1 TYR 37 HE2 TYR 37 4.955 -9.032 -3.099 305 HE2 TYR 37 HE1 TYR 37 8.584 -7.551 -1.415 306 HH TYR 37 HH TYR 37 6.925 -8.228 -4.307 307 HB2 TYR 37 2HB TYR 37 3.793 -7.245 1.085 308 HB3 TYR 37 1HB TYR 37 5.307 -6.766 1.839 309 H LEU 38 H LEU 38 5.864 -7.762 4.290 310 HA LEU 38 HA LEU 38 8.515 -8.753 3.768 311 HG LEU 38 HG LEU 38 7.400 -5.906 4.060 312 HB2 LEU 38 2HB LEU 38 7.382 -7.262 6.136 313 HB3 LEU 38 1HB LEU 38 9.085 -7.613 5.902 314 HD11 LEU 38 1HD1 LEU 38 8.649 -4.012 4.954 315 HD12 LEU 38 2HD1 LEU 38 9.474 -5.082 6.091 316 HD13 LEU 38 3HD1 LEU 38 7.733 -4.827 6.220 317 HD21 LEU 38 3HD2 LEU 38 9.234 -7.045 2.902 318 HD22 LEU 38 1HD2 LEU 38 10.381 -6.406 4.080 319 HD23 LEU 38 2HD2 LEU 38 9.514 -5.308 3.005 320 H LYS 39 H LYS 39 5.824 -10.111 5.327 321 HA LYS 39 HA LYS 39 6.969 -11.624 7.383 322 HB2 LYS 39 2HB LYS 39 4.738 -12.444 5.501 323 HB3 LYS 39 1HB LYS 39 5.101 -13.210 7.040 324 HG2 LYS 39 2HG LYS 39 4.221 -10.345 6.683 325 HG3 LYS 39 1HG LYS 39 3.181 -11.683 7.171 326 HD2 LYS 39 2HD LYS 39 5.629 -10.793 8.705 327 HD3 LYS 39 1HD LYS 39 3.987 -10.254 9.060 328 HE2 LYS 39 2HE LYS 39 3.316 -12.575 9.472 329 HE3 LYS 39 1HE LYS 39 4.957 -13.114 9.120 330 HZ1 LYS 39 3HZ LYS 39 4.138 -11.342 11.355 331 HZ2 LYS 39 1HZ LYS 39 5.734 -11.769 10.992 332 HZ3 LYS 39 2HZ LYS 39 4.633 -12.952 11.480 333 H GLY 40 H GLY 40 8.924 -12.579 7.015 334 HA2 GLY 40 2HA GLY 40 10.158 -14.507 6.450 335 HA3 GLY 40 1HA GLY 40 8.987 -14.874 5.194 336 H PHE 41 H PHE 41 10.199 -11.645 5.324 337 HA PHE 41 HA PHE 41 11.298 -11.859 2.698 338 HD1 PHE 41 HD1 PHE 41 10.649 -9.938 1.067 339 HD2 PHE 41 HD2 PHE 41 13.349 -8.250 3.898 340 HE1 PHE 41 HE1 PHE 41 11.729 -8.658 -0.732 341 HE2 PHE 41 HE2 PHE 41 14.436 -6.973 2.098 342 HZ PHE 41 HZ PHE 41 13.628 -7.176 -0.220 343 HB2 PHE 41 2HB PHE 41 10.174 -9.814 3.599 344 HB3 PHE 41 1HB PHE 41 11.558 -9.560 4.654 345 H ARG 42 H ARG 42 13.218 -12.708 2.234 346 HA ARG 42 HA ARG 42 15.404 -13.314 2.288 347 HE ARG 42 HE ARG 42 18.293 -10.804 1.333 348 HB2 ARG 42 2HB ARG 42 15.698 -10.801 3.950 349 HB3 ARG 42 1HB ARG 42 17.020 -11.677 3.186 350 HG2 ARG 42 2HG ARG 42 15.936 -11.243 0.976 351 HG3 ARG 42 1HG ARG 42 14.768 -10.216 1.812 352 HD2 ARG 42 2HD ARG 42 16.518 -8.838 0.891 353 HD3 ARG 42 1HD ARG 42 16.648 -8.834 2.650 354 HH11 ARG 42 1HH1 ARG 42 18.136 -7.561 2.498 355 HH12 ARG 42 2HH1 ARG 42 19.857 -7.404 2.576 356 HH21 ARG 42 1HH2 ARG 42 20.471 -10.595 1.459 357 HH22 ARG 42 2HH2 ARG 42 21.168 -9.108 2.015 358 H SER 43 H SER 43 13.657 -14.313 4.446 359 HA SER 43 HA SER 43 13.804 -15.814 6.135 360 HG SER 43 HG SER 43 17.452 -15.033 5.427 361 HB2 SER 43 2HB SER 43 15.804 -16.971 6.614 362 HB3 SER 43 1HB SER 43 15.947 -16.511 4.921 363 H SER 44 H SER 44 16.132 -13.160 6.659 364 HA SER 44 HA SER 44 16.095 -13.381 9.489 365 HG SER 44 HG SER 44 18.105 -13.201 7.673 366 HB2 SER 44 2HB SER 44 16.955 -11.073 7.724 367 HB3 SER 44 1HB SER 44 17.249 -11.175 9.459 368 H MET 45 H MET 45 14.046 -13.278 10.345 369 HA MET 45 HA MET 45 12.358 -10.948 9.864 370 HB2 MET 45 2HB MET 45 11.980 -13.243 11.807 371 HB3 MET 45 1HB MET 45 10.776 -12.032 11.390 372 HG2 MET 45 2HG MET 45 10.769 -12.866 9.075 373 HG3 MET 45 1HG MET 45 11.936 -14.107 9.537 374 HE1 MET 45 3HE MET 45 10.376 -16.078 8.687 375 HE2 MET 45 1HE MET 45 9.214 -14.874 8.124 376 HE3 MET 45 2HE MET 45 8.672 -16.226 9.116 377 H LYS 46 H LYS 46 14.515 -12.219 12.323 378 HA LYS 46 HA LYS 46 15.417 -11.372 14.223 379 HB2 LYS 46 2HB LYS 46 14.575 -8.745 12.979 380 HB3 LYS 46 1HB LYS 46 15.582 -8.872 14.414 381 HG2 LYS 46 2HG LYS 46 16.274 -9.956 11.684 382 HG3 LYS 46 1HG LYS 46 16.906 -8.471 12.396 383 HD2 LYS 46 2HD LYS 46 17.921 -9.792 14.219 384 HD3 LYS 46 1HD LYS 46 17.306 -11.272 13.480 385 HE2 LYS 46 2HE LYS 46 18.660 -10.851 11.486 386 HE3 LYS 46 1HE LYS 46 19.249 -9.344 12.191 387 HZ1 LYS 46 3HZ LYS 46 20.260 -10.630 13.976 388 HZ2 LYS 46 1HZ LYS 46 20.848 -11.122 12.470 389 HZ3 LYS 46 2HZ LYS 46 19.707 -12.067 13.285 390 H LEU 47 H LEU 47 12.490 -12.015 14.080 391 HA LEU 47 HA LEU 47 11.329 -10.312 16.146 392 HG LEU 47 HG LEU 47 8.959 -12.307 16.796 393 HB2 LEU 47 2HB LEU 47 9.944 -11.028 14.232 394 HB3 LEU 47 1HB LEU 47 10.185 -12.704 14.684 395 HD11 LEU 47 1HD1 LEU 47 9.451 -9.936 17.096 396 HD12 LEU 47 2HD1 LEU 47 7.712 -10.223 17.117 397 HD13 LEU 47 3HD1 LEU 47 8.476 -9.538 15.680 398 HD21 LEU 47 3HD2 LEU 47 6.729 -12.075 15.800 399 HD22 LEU 47 1HD2 LEU 47 7.760 -13.145 14.851 400 HD23 LEU 47 2HD2 LEU 47 7.456 -11.496 14.300 401 H GLU 48 H GLU 48 10.719 -11.057 18.212 402 HA GLU 48 HA GLU 48 12.183 -13.406 19.156 403 HB2 GLU 48 2HB GLU 48 11.479 -12.527 21.450 404 HB3 GLU 48 1HB GLU 48 12.616 -11.555 20.531 405 HG2 GLU 48 2HG GLU 48 10.854 -10.023 19.891 406 HG3 GLU 48 1HG GLU 48 9.651 -11.027 20.701 Start of MODEL 19 1 HA MET 1 HA MET 1 -2.790 -15.942 4.144 2 H1 MET 1 1H MET 1 0.001 -15.140 4.710 3 H2 MET 1 2H MET 1 -0.561 -15.957 3.340 4 H3 MET 1 3H MET 1 -0.616 -16.708 4.851 5 HB2 MET 1 2HB MET 1 -3.354 -14.695 6.224 6 HB3 MET 1 1HB MET 1 -2.400 -16.140 6.506 7 HG2 MET 1 2HG MET 1 -0.386 -14.741 6.727 8 HG3 MET 1 1HG MET 1 -1.386 -13.305 6.509 9 HE1 MET 1 3HE MET 1 -0.322 -12.386 8.799 10 HE2 MET 1 1HE MET 1 0.582 -13.882 9.048 11 HE3 MET 1 2HE MET 1 -0.433 -13.239 10.338 12 H ILE 2 H ILE 2 -0.454 -13.957 3.069 13 HA ILE 2 HA ILE 2 -2.236 -11.647 2.718 14 HB ILE 2 HB ILE 2 0.049 -11.075 3.316 15 HG12 ILE 2 2HG1 ILE 2 -0.514 -10.417 0.406 16 HG13 ILE 2 1HG1 ILE 2 -1.165 -9.554 1.795 17 HG21 ILE 2 1HG2 ILE 2 1.958 -11.589 1.878 18 HG22 ILE 2 2HG2 ILE 2 0.913 -12.524 0.812 19 HG23 ILE 2 3HG2 ILE 2 1.189 -13.062 2.468 20 HD11 ILE 2 3HD1 ILE 2 0.673 -8.338 0.792 21 HD12 ILE 2 1HD1 ILE 2 1.740 -9.724 1.020 22 HD13 ILE 2 2HD1 ILE 2 1.096 -8.866 2.421 23 H SER 3 H SER 3 -3.470 -11.464 0.961 24 HA SER 3 HA SER 3 -3.180 -13.263 -1.280 25 HG SER 3 HG SER 3 -6.234 -11.868 -2.578 26 HB2 SER 3 2HB SER 3 -5.427 -12.693 -0.613 27 HB3 SER 3 1HB SER 3 -5.088 -10.969 -0.768 28 H ASN 4 H ASN 4 -2.658 -12.756 -3.410 29 HA ASN 4 HA ASN 4 -0.766 -10.759 -3.920 30 HB2 ASN 4 2HB ASN 4 -2.578 -12.134 -5.921 31 HB3 ASN 4 1HB ASN 4 -1.097 -11.263 -6.307 32 HD21 ASN 4 1HD2 ASN 4 0.035 -12.959 -7.126 33 HD22 ASN 4 2HD2 ASN 4 0.531 -14.324 -6.191 34 H ALA 5 H ALA 5 -4.217 -10.575 -3.823 35 HA ALA 5 HA ALA 5 -4.661 -8.183 -5.244 36 HB1 ALA 5 3HB ALA 5 -6.711 -7.989 -3.923 37 HB2 ALA 5 1HB ALA 5 -6.120 -9.214 -2.801 38 HB3 ALA 5 2HB ALA 5 -6.475 -9.647 -4.475 39 H LYS 6 H LYS 6 -3.768 -8.752 -1.835 40 HA LYS 6 HA LYS 6 -3.705 -6.015 -1.078 41 HB2 LYS 6 2HB LYS 6 -2.295 -8.420 0.098 42 HB3 LYS 6 1HB LYS 6 -2.291 -6.822 0.834 43 HG2 LYS 6 2HG LYS 6 -4.766 -6.929 0.970 44 HG3 LYS 6 1HG LYS 6 -4.693 -8.581 0.356 45 HD2 LYS 6 2HD LYS 6 -3.416 -9.289 2.290 46 HD3 LYS 6 1HD LYS 6 -3.322 -7.627 2.875 47 HE2 LYS 6 2HE LYS 6 -5.828 -9.287 2.585 48 HE3 LYS 6 1HE LYS 6 -5.019 -8.875 4.096 49 HZ1 LYS 6 3HZ LYS 6 -6.248 -6.923 2.218 50 HZ2 LYS 6 1HZ LYS 6 -5.501 -6.546 3.690 51 HZ3 LYS 6 2HZ LYS 6 -6.928 -7.450 3.670 52 H ILE 7 H ILE 7 -1.278 -8.214 -2.407 53 HA ILE 7 HA ILE 7 0.953 -6.490 -2.306 54 HB ILE 7 HB ILE 7 0.330 -8.599 -4.396 55 HG12 ILE 7 2HG1 ILE 7 1.877 -8.818 -1.792 56 HG13 ILE 7 1HG1 ILE 7 0.283 -9.501 -2.099 57 HG21 ILE 7 1HG2 ILE 7 2.773 -8.680 -4.727 58 HG22 ILE 7 2HG2 ILE 7 2.959 -7.324 -3.613 59 HG23 ILE 7 3HG2 ILE 7 2.097 -7.102 -5.136 60 HD11 ILE 7 3HD1 ILE 7 1.255 -10.946 -3.831 61 HD12 ILE 7 1HD1 ILE 7 1.980 -11.211 -2.246 62 HD13 ILE 7 2HD1 ILE 7 2.850 -10.285 -3.469 63 H ALA 8 H ALA 8 -1.531 -6.959 -4.814 64 HA ALA 8 HA ALA 8 -0.635 -5.011 -6.640 65 HB1 ALA 8 3HB ALA 8 -3.460 -5.944 -6.104 66 HB2 ALA 8 1HB ALA 8 -2.312 -6.700 -7.210 67 HB3 ALA 8 2HB ALA 8 -2.914 -5.075 -7.538 68 H ARG 9 H ARG 9 -2.750 -4.794 -3.806 69 HA ARG 9 HA ARG 9 -3.471 -2.086 -4.031 70 HE ARG 9 HE ARG 9 -5.290 0.980 -1.505 71 HB2 ARG 9 2HB ARG 9 -4.551 -3.659 -2.464 72 HB3 ARG 9 1HB ARG 9 -3.075 -3.721 -1.510 73 HG2 ARG 9 2HG ARG 9 -4.659 -2.259 -0.440 74 HG3 ARG 9 1HG ARG 9 -3.307 -1.301 -1.049 75 HD2 ARG 9 2HD ARG 9 -4.631 -0.626 -2.985 76 HD3 ARG 9 1HD ARG 9 -5.974 -1.632 -2.438 77 HH11 ARG 9 1HH1 ARG 9 -6.747 -1.997 -0.585 78 HH12 ARG 9 2HH1 ARG 9 -7.687 -1.274 0.665 79 HH21 ARG 9 1HH2 ARG 9 -6.549 1.906 0.085 80 HH22 ARG 9 2HH2 ARG 9 -7.591 0.898 1.026 81 H ILE 10 H ILE 10 -0.651 -3.617 -2.469 82 HA ILE 10 HA ILE 10 0.555 -1.342 -1.390 83 HB ILE 10 HB ILE 10 1.916 -3.746 -2.640 84 HG12 ILE 10 2HG1 ILE 10 1.246 -3.146 0.258 85 HG13 ILE 10 1HG1 ILE 10 0.379 -4.281 -0.767 86 HG21 ILE 10 1HG2 ILE 10 3.872 -3.121 -1.273 87 HG22 ILE 10 2HG2 ILE 10 3.042 -1.646 -0.775 88 HG23 ILE 10 3HG2 ILE 10 3.480 -1.885 -2.468 89 HD11 ILE 10 3HD1 ILE 10 2.394 -5.649 -0.953 90 HD12 ILE 10 1HD1 ILE 10 1.899 -5.429 0.725 91 HD13 ILE 10 2HD1 ILE 10 3.257 -4.510 0.083 92 H ASN 11 H ASN 11 0.861 -2.687 -4.673 93 HA ASN 11 HA ASN 11 2.587 -0.680 -5.685 94 HB2 ASN 11 2HB ASN 11 0.613 -2.422 -7.187 95 HB3 ASN 11 1HB ASN 11 1.954 -1.533 -7.904 96 HD21 ASN 11 1HD2 ASN 11 1.394 -4.392 -7.898 97 HD22 ASN 11 2HD2 ASN 11 2.775 -5.148 -7.192 98 H GLU 12 H GLU 12 -0.949 -0.997 -5.683 99 HA GLU 12 HA GLU 12 -1.669 1.292 -7.102 100 HB2 GLU 12 2HB GLU 12 -3.312 -0.358 -6.394 101 HB3 GLU 12 1HB GLU 12 -2.988 -0.015 -4.703 102 HG2 GLU 12 2HG GLU 12 -5.031 1.035 -5.185 103 HG3 GLU 12 1HG GLU 12 -3.837 2.329 -5.136 104 H LEU 13 H LEU 13 -1.014 0.925 -3.633 105 HA LEU 13 HA LEU 13 -1.368 3.685 -3.003 106 HG LEU 13 HG LEU 13 -2.289 0.855 -1.817 107 HB2 LEU 13 2HB LEU 13 0.024 1.518 -1.416 108 HB3 LEU 13 1HB LEU 13 -0.507 3.073 -0.795 109 HD11 LEU 13 1HD1 LEU 13 -1.911 1.954 0.964 110 HD12 LEU 13 2HD1 LEU 13 -1.383 0.376 0.379 111 HD13 LEU 13 3HD1 LEU 13 -3.104 0.744 0.487 112 HD21 LEU 13 3HD2 LEU 13 -2.986 3.608 -0.813 113 HD22 LEU 13 1HD2 LEU 13 -4.147 2.305 -1.065 114 HD23 LEU 13 2HD2 LEU 13 -3.252 2.964 -2.432 115 H ALA 14 H ALA 14 1.395 1.709 -3.906 116 HA ALA 14 HA ALA 14 3.455 3.552 -3.359 117 HB1 ALA 14 3HB ALA 14 4.769 2.319 -5.010 118 HB2 ALA 14 1HB ALA 14 3.308 1.526 -5.600 119 HB3 ALA 14 2HB ALA 14 3.883 1.212 -3.962 120 H ALA 15 H ALA 15 1.405 3.108 -6.236 121 HA ALA 15 HA ALA 15 2.448 5.191 -7.808 122 HB1 ALA 15 3HB ALA 15 0.915 3.495 -8.684 123 HB2 ALA 15 1HB ALA 15 0.320 5.120 -9.013 124 HB3 ALA 15 2HB ALA 15 -0.393 4.167 -7.713 125 H LYS 16 H LYS 16 -0.334 5.212 -5.567 126 HA LYS 16 HA LYS 16 -0.940 7.933 -5.702 127 HB2 LYS 16 2HB LYS 16 -1.190 6.094 -3.311 128 HB3 LYS 16 1HB LYS 16 -1.988 7.652 -3.485 129 HG2 LYS 16 2HG LYS 16 -3.175 6.768 -5.477 130 HG3 LYS 16 1HG LYS 16 -2.450 5.189 -5.158 131 HD2 LYS 16 2HD LYS 16 -3.518 5.194 -2.918 132 HD3 LYS 16 1HD LYS 16 -4.295 6.728 -3.318 133 HE2 LYS 16 2HE LYS 16 -4.695 4.080 -4.707 134 HE3 LYS 16 1HE LYS 16 -5.849 4.913 -3.669 135 HZ1 LYS 16 3HZ LYS 16 -6.409 5.264 -5.963 136 HZ2 LYS 16 1HZ LYS 16 -4.862 5.850 -6.308 137 HZ3 LYS 16 2HZ LYS 16 -5.890 6.731 -5.303 138 H ALA 17 H ALA 17 1.502 6.263 -3.786 139 HA ALA 17 HA ALA 17 2.281 8.485 -2.193 140 HB1 ALA 17 3HB ALA 17 3.881 6.036 -2.958 141 HB2 ALA 17 1HB ALA 17 2.799 6.173 -1.573 142 HB3 ALA 17 2HB ALA 17 4.260 7.158 -1.650 143 H LYS 18 H LYS 18 3.453 7.209 -5.296 144 HA LYS 18 HA LYS 18 5.565 9.067 -5.639 145 HB2 LYS 18 2HB LYS 18 3.952 7.513 -7.678 146 HB3 LYS 18 1HB LYS 18 5.394 8.444 -8.067 147 HG2 LYS 18 2HG LYS 18 6.705 7.017 -6.539 148 HG3 LYS 18 1HG LYS 18 5.259 6.061 -6.214 149 HD2 LYS 18 2HD LYS 18 6.517 6.419 -8.942 150 HD3 LYS 18 1HD LYS 18 6.771 5.025 -7.890 151 HE2 LYS 18 2HE LYS 18 4.412 4.471 -7.999 152 HE3 LYS 18 1HE LYS 18 4.090 5.917 -8.958 153 HZ1 LYS 18 3HZ LYS 18 4.234 3.934 -10.337 154 HZ2 LYS 18 1HZ LYS 18 5.810 3.648 -9.802 155 HZ3 LYS 18 2HZ LYS 18 5.463 5.025 -10.720 156 H ALA 19 H ALA 19 2.158 9.131 -6.659 157 HA ALA 19 HA ALA 19 2.331 11.714 -7.899 158 HB1 ALA 19 3HB ALA 19 -0.100 10.183 -6.968 159 HB2 ALA 19 1HB ALA 19 0.638 10.079 -8.567 160 HB3 ALA 19 2HB ALA 19 -0.106 11.588 -8.035 161 H GLY 20 H GLY 20 1.681 10.579 -4.657 162 HA2 GLY 20 2HA GLY 20 1.892 11.902 -2.712 163 HA3 GLY 20 1HA GLY 20 1.648 13.344 -3.683 164 H VAL 21 H VAL 21 -0.661 11.073 -4.512 165 HA VAL 21 HA VAL 21 -2.725 12.597 -3.113 166 HB VAL 21 HB VAL 21 -4.317 11.452 -4.593 167 HG11 VAL 21 1HG1 VAL 21 -3.279 13.506 -5.381 168 HG12 VAL 21 2HG1 VAL 21 -3.553 12.399 -6.729 169 HG13 VAL 21 3HG1 VAL 21 -1.930 12.591 -6.060 170 HG21 VAL 21 3HG2 VAL 21 -3.511 9.953 -6.382 171 HG22 VAL 21 1HG2 VAL 21 -3.219 9.280 -4.777 172 HG23 VAL 21 2HG2 VAL 21 -1.890 10.002 -5.686 173 H ILE 22 H ILE 22 -0.975 10.312 -1.924 174 HA ILE 22 HA ILE 22 -2.962 8.312 -1.225 175 HB ILE 22 HB ILE 22 -0.647 7.641 -1.710 176 HG12 ILE 22 2HG1 ILE 22 -1.410 7.082 1.169 177 HG13 ILE 22 1HG1 ILE 22 -2.089 6.260 -0.231 178 HG21 ILE 22 1HG2 ILE 22 0.542 9.569 -0.834 179 HG22 ILE 22 2HG2 ILE 22 1.159 8.082 -0.112 180 HG23 ILE 22 3HG2 ILE 22 0.082 9.130 0.813 181 HD11 ILE 22 3HD1 ILE 22 0.794 6.190 0.639 182 HD12 ILE 22 1HD1 ILE 22 0.127 5.377 -0.779 183 HD13 ILE 22 2HD1 ILE 22 -0.398 4.903 0.837 184 H THR 23 H THR 23 -4.148 8.256 0.603 185 HA THR 23 HA THR 23 -3.940 10.483 2.469 186 HB THR 23 HB THR 23 -6.062 9.704 3.399 187 HG1 THR 23 HG1 THR 23 -7.042 7.842 2.171 188 HG21 THR 23 3HG2 THR 23 -6.170 11.108 1.400 189 HG22 THR 23 1HG2 THR 23 -7.482 9.930 1.399 190 HG23 THR 23 2HG2 THR 23 -6.069 9.677 0.373 191 H GLU 24 H GLU 24 -4.360 9.969 4.850 192 HA GLU 24 HA GLU 24 -2.125 8.599 5.856 193 HB2 GLU 24 2HB GLU 24 -4.642 9.351 7.362 194 HB3 GLU 24 1HB GLU 24 -3.064 9.014 8.068 195 HG2 GLU 24 2HG GLU 24 -2.151 10.971 6.838 196 HG3 GLU 24 1HG GLU 24 -3.785 11.332 6.279 197 H GLU 25 H GLU 25 -5.545 7.621 5.715 198 HA GLU 25 HA GLU 25 -5.296 5.153 7.038 199 HB2 GLU 25 2HB GLU 25 -7.473 6.158 6.570 200 HB3 GLU 25 1HB GLU 25 -7.214 5.977 4.840 201 HG2 GLU 25 2HG GLU 25 -7.240 3.554 5.074 202 HG3 GLU 25 1HG GLU 25 -7.445 3.712 6.818 203 H GLU 26 H GLU 26 -4.965 5.974 3.596 204 HA GLU 26 HA GLU 26 -4.486 3.378 2.634 205 HB2 GLU 26 2HB GLU 26 -3.486 6.034 1.571 206 HB3 GLU 26 1HB GLU 26 -3.427 4.515 0.689 207 HG2 GLU 26 2HG GLU 26 -5.930 5.922 1.610 208 HG3 GLU 26 1HG GLU 26 -5.292 5.913 -0.033 209 H LYS 27 H LYS 27 -2.210 5.881 3.747 210 HA LYS 27 HA LYS 27 0.170 4.443 3.291 211 HB2 LYS 27 2HB LYS 27 -0.366 6.542 5.408 212 HB3 LYS 27 1HB LYS 27 1.218 6.051 4.820 213 HG2 LYS 27 2HG LYS 27 0.750 6.948 2.639 214 HG3 LYS 27 1HG LYS 27 -0.919 7.288 3.092 215 HD2 LYS 27 2HD LYS 27 0.238 9.352 3.188 216 HD3 LYS 27 1HD LYS 27 -0.000 8.842 4.858 217 HE2 LYS 27 2HE LYS 27 2.293 8.029 4.957 218 HE3 LYS 27 1HE LYS 27 2.536 8.461 3.264 219 HZ1 LYS 27 3HZ LYS 27 2.060 10.790 3.894 220 HZ2 LYS 27 1HZ LYS 27 3.451 10.167 4.627 221 HZ3 LYS 27 2HZ LYS 27 2.022 10.322 5.518 222 H ALA 28 H ALA 28 -1.875 4.677 6.192 223 HA ALA 28 HA ALA 28 -0.315 3.155 7.946 224 HB1 ALA 28 3HB ALA 28 -2.361 2.843 9.244 225 HB2 ALA 28 1HB ALA 28 -3.332 3.370 7.868 226 HB3 ALA 28 2HB ALA 28 -2.237 4.502 8.660 227 H GLU 29 H GLU 29 -2.953 2.097 5.777 228 HA GLU 29 HA GLU 29 -2.704 -0.662 6.392 229 HB2 GLU 29 2HB GLU 29 -4.732 0.289 5.355 230 HB3 GLU 29 1HB GLU 29 -3.824 0.620 3.885 231 HG2 GLU 29 2HG GLU 29 -3.558 -1.684 3.410 232 HG3 GLU 29 1HG GLU 29 -4.102 -2.154 5.015 233 H GLN 30 H GLN 30 -1.305 1.346 3.814 234 HA GLN 30 HA GLN 30 -0.080 -0.579 2.253 235 HB2 GLN 30 2HB GLN 30 -0.134 1.875 1.768 236 HB3 GLN 30 1HB GLN 30 1.112 2.109 2.988 237 HG2 GLN 30 2HG GLN 30 2.634 0.676 1.685 238 HG3 GLN 30 1HG GLN 30 1.385 0.499 0.452 239 HE21 GLN 30 1HE2 GLN 30 2.585 1.451 -1.162 240 HE22 GLN 30 2HE2 GLN 30 2.961 3.133 -1.183 241 H GLN 31 H GLN 31 1.285 1.072 5.102 242 HA GLN 31 HA GLN 31 3.737 -0.275 5.184 243 HB2 GLN 31 2HB GLN 31 3.265 1.735 6.512 244 HB3 GLN 31 1HB GLN 31 2.129 0.828 7.502 245 HG2 GLN 31 2HG GLN 31 3.945 -0.589 8.309 246 HG3 GLN 31 1HG GLN 31 5.092 0.285 7.296 247 HE21 GLN 31 1HE2 GLN 31 5.063 -0.045 10.188 248 HE22 GLN 31 2HE2 GLN 31 5.018 1.549 10.850 249 H LYS 32 H LYS 32 0.667 -1.087 6.830 250 HA LYS 32 HA LYS 32 1.663 -3.366 8.175 251 HB2 LYS 32 2HB LYS 32 -0.447 -2.119 8.718 252 HB3 LYS 32 1HB LYS 32 -1.197 -2.879 7.324 253 HG2 LYS 32 2HG LYS 32 -1.034 -5.043 8.306 254 HG3 LYS 32 1HG LYS 32 0.005 -4.446 9.600 255 HD2 LYS 32 2HD LYS 32 -1.855 -3.052 10.427 256 HD3 LYS 32 1HD LYS 32 -2.893 -3.701 9.157 257 HE2 LYS 32 2HE LYS 32 -1.554 -5.343 11.310 258 HE3 LYS 32 1HE LYS 32 -3.229 -4.797 11.354 259 HZ1 LYS 32 3HZ LYS 32 -2.041 -6.622 9.334 260 HZ2 LYS 32 1HZ LYS 32 -3.640 -6.070 9.325 261 HZ3 LYS 32 2HZ LYS 32 -3.091 -7.062 10.579 262 H LEU 33 H LEU 33 0.184 -3.008 4.965 263 HA LEU 33 HA LEU 33 0.064 -5.765 4.323 264 HG LEU 33 HG LEU 33 -1.699 -3.190 3.673 265 HB2 LEU 33 2HB LEU 33 0.421 -3.393 2.481 266 HB3 LEU 33 1HB LEU 33 0.001 -5.017 1.966 267 HD11 LEU 33 1HD1 LEU 33 -3.211 -3.182 1.752 268 HD12 LEU 33 2HD1 LEU 33 -2.065 -4.167 0.840 269 HD13 LEU 33 3HD1 LEU 33 -1.627 -2.531 1.330 270 HD21 LEU 33 3HD2 LEU 33 -3.420 -4.919 3.511 271 HD22 LEU 33 1HD2 LEU 33 -1.990 -5.519 4.348 272 HD23 LEU 33 2HD2 LEU 33 -2.288 -5.978 2.670 273 H ARG 34 H ARG 34 2.608 -3.326 3.901 274 HA ARG 34 HA ARG 34 4.492 -4.976 2.597 275 HE ARG 34 HE ARG 34 7.451 -1.340 2.984 276 HB2 ARG 34 2HB ARG 34 4.937 -2.606 4.436 277 HB3 ARG 34 1HB ARG 34 6.188 -3.350 3.447 278 HG2 ARG 34 2HG ARG 34 4.962 -2.758 1.422 279 HG3 ARG 34 1HG ARG 34 3.674 -2.050 2.396 280 HD2 ARG 34 2HD ARG 34 5.107 -0.294 1.563 281 HD3 ARG 34 1HD ARG 34 5.302 -0.428 3.310 282 HH11 ARG 34 1HH1 ARG 34 5.947 -0.438 0.021 283 HH12 ARG 34 2HH1 ARG 34 7.424 -0.441 -0.867 284 HH21 ARG 34 1HH2 ARG 34 9.346 -1.318 1.862 285 HH22 ARG 34 2HH2 ARG 34 9.347 -0.931 0.175 286 H GLN 35 H GLN 35 3.748 -4.486 6.021 287 HA GLN 35 HA GLN 35 5.827 -6.066 7.093 288 HB2 GLN 35 2HB GLN 35 3.058 -5.536 8.193 289 HB3 GLN 35 1HB GLN 35 4.391 -6.224 9.110 290 HG2 GLN 35 2HG GLN 35 4.330 -3.467 7.883 291 HG3 GLN 35 1HG GLN 35 4.096 -3.848 9.586 292 HE21 GLN 35 1HE2 GLN 35 6.150 -5.883 9.657 293 HE22 GLN 35 2HE2 GLN 35 7.659 -5.053 9.591 294 H GLU 36 H GLU 36 2.553 -6.927 5.990 295 HA GLU 36 HA GLU 36 2.671 -9.679 6.588 296 HB2 GLU 36 2HB GLU 36 1.113 -8.046 4.607 297 HB3 GLU 36 1HB GLU 36 1.068 -9.799 4.496 298 HG2 GLU 36 2HG GLU 36 0.272 -8.159 6.896 299 HG3 GLU 36 1HG GLU 36 -0.826 -8.934 5.755 300 H TYR 37 H TYR 37 3.647 -7.895 3.687 301 HA TYR 37 HA TYR 37 4.371 -10.139 2.128 302 HD1 TYR 37 HD1 TYR 37 3.721 -9.263 -0.653 303 HD2 TYR 37 HD2 TYR 37 7.528 -7.976 0.759 304 HE1 TYR 37 HE1 TYR 37 4.732 -9.936 -2.788 305 HE2 TYR 37 HE2 TYR 37 8.550 -8.646 -1.376 306 HH TYR 37 HH TYR 37 6.800 -9.284 -4.134 307 HB2 TYR 37 2HB TYR 37 3.909 -7.802 1.299 308 HB3 TYR 37 1HB TYR 37 5.485 -7.330 1.923 309 H LEU 38 H LEU 38 6.284 -8.031 4.257 310 HA LEU 38 HA LEU 38 8.766 -9.378 3.618 311 HG LEU 38 HG LEU 38 7.922 -6.443 3.281 312 HB2 LEU 38 2HB LEU 38 8.149 -7.214 5.632 313 HB3 LEU 38 1HB LEU 38 9.759 -7.802 5.259 314 HD11 LEU 38 1HD1 LEU 38 9.407 -4.520 3.480 315 HD12 LEU 38 2HD1 LEU 38 10.337 -5.354 4.726 316 HD13 LEU 38 3HD1 LEU 38 8.656 -4.903 5.029 317 HD21 LEU 38 3HD2 LEU 38 9.465 -8.004 2.212 318 HD22 LEU 38 1HD2 LEU 38 10.825 -7.240 3.036 319 HD23 LEU 38 2HD2 LEU 38 9.895 -6.336 1.839 320 H LYS 39 H LYS 39 6.618 -9.209 6.456 321 HA LYS 39 HA LYS 39 6.548 -10.341 8.423 322 HB2 LYS 39 2HB LYS 39 7.779 -12.376 6.594 323 HB3 LYS 39 1HB LYS 39 7.642 -12.733 8.311 324 HG2 LYS 39 2HG LYS 39 5.329 -11.966 6.532 325 HG3 LYS 39 1HG LYS 39 5.767 -13.620 6.964 326 HD2 LYS 39 2HD LYS 39 5.418 -13.106 9.334 327 HD3 LYS 39 1HD LYS 39 5.007 -11.440 8.919 328 HE2 LYS 39 2HE LYS 39 3.492 -13.904 8.045 329 HE3 LYS 39 1HE LYS 39 3.008 -12.803 9.337 330 HZ1 LYS 39 3HZ LYS 39 3.281 -12.113 6.461 331 HZ2 LYS 39 1HZ LYS 39 2.877 -11.021 7.690 332 HZ3 LYS 39 2HZ LYS 39 1.831 -12.291 7.311 333 H GLY 40 H GLY 40 8.721 -8.502 8.036 334 HA2 GLY 40 2HA GLY 40 10.306 -7.863 9.702 335 HA3 GLY 40 1HA GLY 40 10.587 -9.562 10.054 336 H PHE 41 H PHE 41 10.546 -9.435 6.795 337 HA PHE 41 HA PHE 41 13.369 -9.624 6.500 338 HD1 PHE 41 HD2 PHE 41 14.227 -11.496 4.791 339 HD2 PHE 41 HD1 PHE 41 12.371 -8.430 2.485 340 HE1 PHE 41 HE2 PHE 41 16.019 -11.674 3.115 341 HE2 PHE 41 HE1 PHE 41 14.163 -8.605 0.809 342 HZ PHE 41 HZ PHE 41 15.991 -10.226 1.122 343 HB2 PHE 41 2HB PHE 41 11.761 -10.838 5.051 344 HB3 PHE 41 1HB PHE 41 11.250 -9.306 4.354 345 H ARG 42 H ARG 42 14.383 -7.731 7.120 346 HA ARG 42 HA ARG 42 13.662 -5.219 5.821 347 HE ARG 42 HE ARG 42 14.954 -2.648 8.637 348 HB2 ARG 42 2HB ARG 42 15.845 -5.861 7.821 349 HB3 ARG 42 1HB ARG 42 15.482 -4.251 7.210 350 HG2 ARG 42 2HG ARG 42 13.223 -4.406 8.178 351 HG3 ARG 42 1HG ARG 42 13.624 -6.000 8.823 352 HD2 ARG 42 2HD ARG 42 13.859 -4.320 10.558 353 HD3 ARG 42 1HD ARG 42 15.439 -4.988 10.146 354 HH11 ARG 42 1HH1 ARG 42 15.746 -3.683 11.827 355 HH12 ARG 42 2HH1 ARG 42 16.514 -2.191 12.238 356 HH21 ARG 42 1HH2 ARG 42 15.961 -0.734 9.180 357 HH22 ARG 42 2HH2 ARG 42 16.634 -0.549 10.761 358 H SER 43 H SER 43 14.213 -5.231 3.717 359 HA SER 43 HA SER 43 16.667 -6.428 2.754 360 HG SER 43 HG SER 43 15.491 -5.898 -0.564 361 HB2 SER 43 2HB SER 43 14.599 -6.560 1.415 362 HB3 SER 43 1HB SER 43 14.568 -4.804 1.277 363 H SER 44 H SER 44 16.205 -3.641 4.338 364 HA SER 44 HA SER 44 17.562 -1.729 2.712 365 HG SER 44 HG SER 44 18.186 0.085 5.676 366 HB2 SER 44 2HB SER 44 16.059 -1.032 4.539 367 HB3 SER 44 1HB SER 44 17.161 -1.738 5.721 368 H MET 45 H MET 45 19.543 -0.565 3.845 369 HA MET 45 HA MET 45 21.584 -2.494 4.666 370 HB2 MET 45 2HB MET 45 21.651 -2.573 2.225 371 HB3 MET 45 1HB MET 45 21.763 -0.823 2.144 372 HG2 MET 45 2HG MET 45 23.958 -0.918 3.229 373 HG3 MET 45 1HG MET 45 23.848 -2.677 3.288 374 HE1 MET 45 3HE MET 45 22.441 -3.322 0.482 375 HE2 MET 45 1HE MET 45 23.805 -4.227 1.136 376 HE3 MET 45 2HE MET 45 23.865 -3.618 -0.517 377 H LYS 46 H LYS 46 23.434 -1.513 5.653 378 HA LYS 46 HA LYS 46 22.972 1.030 6.854 379 HB2 LYS 46 2HB LYS 46 24.258 -0.717 8.000 380 HB3 LYS 46 1HB LYS 46 25.507 -0.617 6.770 381 HG2 LYS 46 2HG LYS 46 26.272 0.539 8.712 382 HG3 LYS 46 1HG LYS 46 25.936 1.736 7.467 383 HD2 LYS 46 2HD LYS 46 23.804 1.082 9.469 384 HD3 LYS 46 1HD LYS 46 25.154 2.100 9.963 385 HE2 LYS 46 2HE LYS 46 23.331 2.657 7.615 386 HE3 LYS 46 1HE LYS 46 23.186 3.396 9.209 387 HZ1 LYS 46 3HZ LYS 46 25.366 4.388 8.916 388 HZ2 LYS 46 1HZ LYS 46 24.349 4.832 7.641 389 HZ3 LYS 46 2HZ LYS 46 25.538 3.657 7.403 390 H LEU 47 H LEU 47 22.649 2.345 5.002 391 HA LEU 47 HA LEU 47 25.101 3.140 3.577 392 HG LEU 47 HG LEU 47 21.476 2.574 3.500 393 HB2 LEU 47 2HB LEU 47 23.429 4.399 2.088 394 HB3 LEU 47 1HB LEU 47 23.491 2.653 1.968 395 HD11 LEU 47 1HD1 LEU 47 21.622 4.783 4.473 396 HD12 LEU 47 2HD1 LEU 47 20.083 4.577 3.641 397 HD13 LEU 47 3HD1 LEU 47 21.371 5.523 2.893 398 HD21 LEU 47 3HD2 LEU 47 19.895 3.062 1.706 399 HD22 LEU 47 1HD2 LEU 47 21.311 2.208 1.097 400 HD23 LEU 47 2HD2 LEU 47 21.146 3.942 0.830 401 H GLU 48 H GLU 48 25.104 5.600 3.017 402 HA GLU 48 HA GLU 48 24.647 7.041 5.558 403 HB2 GLU 48 2HB GLU 48 26.642 7.776 3.408 404 HB3 GLU 48 1HB GLU 48 26.548 8.416 5.043 405 HG2 GLU 48 2HG GLU 48 27.340 5.623 4.232 406 HG3 GLU 48 1HG GLU 48 28.399 6.878 4.866 Start of MODEL 20 1 HA MET 1 HA MET 1 0.933 -14.139 4.934 2 H1 MET 1 1H MET 1 -0.620 -15.180 6.466 3 H2 MET 1 2H MET 1 -1.925 -14.623 5.549 4 H3 MET 1 3H MET 1 -0.902 -13.520 6.318 5 HB2 MET 1 2HB MET 1 0.269 -16.513 4.649 6 HB3 MET 1 1HB MET 1 -1.037 -16.010 3.586 7 HG2 MET 1 2HG MET 1 0.642 -15.070 2.031 8 HG3 MET 1 1HG MET 1 1.917 -15.694 3.075 9 HE1 MET 1 3HE MET 1 2.356 -18.292 3.487 10 HE2 MET 1 1HE MET 1 1.365 -19.570 2.787 11 HE3 MET 1 2HE MET 1 0.684 -18.497 4.008 12 H ILE 2 H ILE 2 1.310 -13.062 2.921 13 HA ILE 2 HA ILE 2 -0.846 -11.271 2.137 14 HB ILE 2 HB ILE 2 1.385 -10.338 2.545 15 HG12 ILE 2 2HG1 ILE 2 0.638 -10.109 -0.383 16 HG13 ILE 2 1HG1 ILE 2 -0.194 -9.272 0.922 17 HG21 ILE 2 1HG2 ILE 2 2.756 -12.222 1.835 18 HG22 ILE 2 2HG2 ILE 2 3.240 -10.749 0.995 19 HG23 ILE 2 3HG2 ILE 2 2.272 -11.963 0.157 20 HD11 ILE 2 3HD1 ILE 2 2.690 -8.912 0.140 21 HD12 ILE 2 1HD1 ILE 2 1.875 -8.090 1.473 22 HD13 ILE 2 2HD1 ILE 2 1.359 -7.800 -0.188 23 H SER 3 H SER 3 -1.974 -11.369 0.272 24 HA SER 3 HA SER 3 -1.204 -13.411 -1.724 25 HG SER 3 HG SER 3 -4.712 -13.721 -2.544 26 HB2 SER 3 2HB SER 3 -3.227 -14.097 -0.521 27 HB3 SER 3 1HB SER 3 -4.002 -12.561 -0.909 28 H ASN 4 H ASN 4 -2.604 -12.943 -3.857 29 HA ASN 4 HA ASN 4 -1.374 -10.783 -5.103 30 HB2 ASN 4 2HB ASN 4 -3.895 -12.244 -5.922 31 HB3 ASN 4 1HB ASN 4 -2.973 -11.169 -6.970 32 HD21 ASN 4 1HD2 ASN 4 -3.540 -13.980 -7.326 33 HD22 ASN 4 2HD2 ASN 4 -2.008 -14.774 -7.420 34 H ALA 5 H ALA 5 -4.639 -10.916 -3.696 35 HA ALA 5 HA ALA 5 -5.573 -8.418 -4.550 36 HB1 ALA 5 3HB ALA 5 -7.140 -8.530 -2.690 37 HB2 ALA 5 1HB ALA 5 -6.169 -9.790 -1.924 38 HB3 ALA 5 2HB ALA 5 -6.983 -10.112 -3.455 39 H LYS 6 H LYS 6 -3.483 -9.254 -1.834 40 HA LYS 6 HA LYS 6 -3.499 -6.597 -0.710 41 HB2 LYS 6 2HB LYS 6 -1.708 -8.962 -0.105 42 HB3 LYS 6 1HB LYS 6 -1.792 -7.483 0.843 43 HG2 LYS 6 2HG LYS 6 -4.154 -7.972 1.353 44 HG3 LYS 6 1HG LYS 6 -4.020 -9.477 0.441 45 HD2 LYS 6 2HD LYS 6 -2.300 -10.274 1.992 46 HD3 LYS 6 1HD LYS 6 -2.404 -8.763 2.900 47 HE2 LYS 6 2HE LYS 6 -4.781 -9.267 3.395 48 HE3 LYS 6 1HE LYS 6 -4.606 -10.805 2.550 49 HZ1 LYS 6 3HZ LYS 6 -3.003 -10.016 4.925 50 HZ2 LYS 6 1HZ LYS 6 -3.019 -11.531 4.175 51 HZ3 LYS 6 2HZ LYS 6 -4.392 -10.976 4.992 52 H ILE 7 H ILE 7 -1.203 -8.545 -2.612 53 HA ILE 7 HA ILE 7 0.891 -6.644 -2.650 54 HB ILE 7 HB ILE 7 0.286 -8.767 -4.727 55 HG12 ILE 7 2HG1 ILE 7 2.044 -8.860 -2.257 56 HG13 ILE 7 1HG1 ILE 7 0.510 -9.696 -2.457 57 HG21 ILE 7 1HG2 ILE 7 2.670 -8.609 -5.285 58 HG22 ILE 7 2HG2 ILE 7 2.862 -7.299 -4.125 59 HG23 ILE 7 3HG2 ILE 7 1.851 -7.070 -5.549 60 HD11 ILE 7 3HD1 ILE 7 3.038 -10.212 -4.010 61 HD12 ILE 7 1HD1 ILE 7 1.494 -11.027 -4.267 62 HD13 ILE 7 2HD1 ILE 7 2.353 -11.223 -2.739 63 H ALA 8 H ALA 8 -1.681 -7.292 -5.057 64 HA ALA 8 HA ALA 8 -1.120 -5.244 -6.856 65 HB1 ALA 8 3HB ALA 8 -2.819 -6.976 -7.245 66 HB2 ALA 8 1HB ALA 8 -3.463 -5.356 -7.515 67 HB3 ALA 8 2HB ALA 8 -3.853 -6.228 -6.030 68 H ARG 9 H ARG 9 -3.190 -5.133 -3.962 69 HA ARG 9 HA ARG 9 -3.896 -2.455 -3.943 70 HE ARG 9 HE ARG 9 -5.721 -1.090 0.412 71 HB2 ARG 9 2HB ARG 9 -4.751 -4.127 -2.366 72 HB3 ARG 9 1HB ARG 9 -3.175 -4.232 -1.602 73 HG2 ARG 9 2HG ARG 9 -4.514 -2.926 -0.180 74 HG3 ARG 9 1HG ARG 9 -3.425 -1.802 -0.989 75 HD2 ARG 9 2HD ARG 9 -5.141 -0.942 -2.343 76 HD3 ARG 9 1HD ARG 9 -6.199 -2.321 -2.029 77 HH11 ARG 9 1HH1 ARG 9 -7.252 -0.286 -2.575 78 HH12 ARG 9 2HH1 ARG 9 -8.386 0.775 -1.815 79 HH21 ARG 9 1HH2 ARG 9 -7.194 0.216 1.367 80 HH22 ARG 9 2HH2 ARG 9 -8.362 1.046 0.397 81 H ILE 10 H ILE 10 -0.879 -3.937 -2.692 82 HA ILE 10 HA ILE 10 0.333 -1.603 -1.713 83 HB ILE 10 HB ILE 10 1.639 -4.061 -2.906 84 HG12 ILE 10 2HG1 ILE 10 1.208 -3.230 -0.020 85 HG13 ILE 10 1HG1 ILE 10 0.289 -4.464 -0.872 86 HG21 ILE 10 1HG2 ILE 10 3.704 -3.332 -1.770 87 HG22 ILE 10 2HG2 ILE 10 2.916 -1.816 -1.329 88 HG23 ILE 10 3HG2 ILE 10 3.203 -2.204 -3.027 89 HD11 ILE 10 3HD1 ILE 10 3.235 -4.567 -0.258 90 HD12 ILE 10 1HD1 ILE 10 2.314 -5.803 -1.119 91 HD13 ILE 10 2HD1 ILE 10 1.959 -5.455 0.573 92 H ASN 11 H ASN 11 0.479 -3.019 -4.999 93 HA ASN 11 HA ASN 11 2.205 -1.137 -6.160 94 HB2 ASN 11 2HB ASN 11 -0.057 -2.731 -7.385 95 HB3 ASN 11 1HB ASN 11 1.051 -1.745 -8.335 96 HD21 ASN 11 1HD2 ASN 11 0.670 -4.655 -6.508 97 HD22 ASN 11 2HD2 ASN 11 2.177 -5.366 -6.950 98 H GLU 12 H GLU 12 -1.329 -1.090 -5.860 99 HA GLU 12 HA GLU 12 -1.869 1.343 -7.127 100 HB2 GLU 12 2HB GLU 12 -3.602 -0.261 -6.462 101 HB3 GLU 12 1HB GLU 12 -3.261 0.049 -4.768 102 HG2 GLU 12 2HG GLU 12 -5.270 1.193 -5.394 103 HG3 GLU 12 1HG GLU 12 -4.008 2.380 -5.071 104 H LEU 13 H LEU 13 -1.376 0.725 -3.647 105 HA LEU 13 HA LEU 13 -1.460 3.396 -2.783 106 HG LEU 13 HG LEU 13 -2.458 0.664 -1.807 107 HB2 LEU 13 2HB LEU 13 0.007 1.052 -1.562 108 HB3 LEU 13 1HB LEU 13 -0.357 2.560 -0.739 109 HD11 LEU 13 1HD1 LEU 13 -1.466 1.013 1.019 110 HD12 LEU 13 2HD1 LEU 13 -1.185 -0.389 -0.015 111 HD13 LEU 13 3HD1 LEU 13 -2.821 0.006 0.510 112 HD21 LEU 13 3HD2 LEU 13 -3.214 2.979 -1.657 113 HD22 LEU 13 1HD2 LEU 13 -2.666 3.061 0.021 114 HD23 LEU 13 2HD2 LEU 13 -3.991 1.985 -0.427 115 H ALA 14 H ALA 14 1.231 1.434 -3.937 116 HA ALA 14 HA ALA 14 3.346 3.183 -3.359 117 HB1 ALA 14 3HB ALA 14 4.579 2.001 -5.124 118 HB2 ALA 14 1HB ALA 14 3.077 1.256 -5.673 119 HB3 ALA 14 2HB ALA 14 3.717 0.880 -4.075 120 H ALA 15 H ALA 15 1.428 2.861 -6.361 121 HA ALA 15 HA ALA 15 2.503 4.990 -7.797 122 HB1 ALA 15 3HB ALA 15 -0.333 3.952 -7.773 123 HB2 ALA 15 1HB ALA 15 0.984 3.402 -8.808 124 HB3 ALA 15 2HB ALA 15 0.335 5.031 -8.998 125 H LYS 16 H LYS 16 -0.185 4.994 -5.468 126 HA LYS 16 HA LYS 16 -0.777 7.739 -5.521 127 HB2 LYS 16 2HB LYS 16 -0.994 5.773 -3.229 128 HB3 LYS 16 1HB LYS 16 -1.723 7.373 -3.246 129 HG2 LYS 16 2HG LYS 16 -3.150 6.754 -5.094 130 HG3 LYS 16 1HG LYS 16 -2.363 5.179 -5.219 131 HD2 LYS 16 2HD LYS 16 -3.164 4.584 -2.997 132 HD3 LYS 16 1HD LYS 16 -3.894 6.179 -2.814 133 HE2 LYS 16 2HE LYS 16 -4.660 4.162 -4.927 134 HE3 LYS 16 1HE LYS 16 -5.529 4.425 -3.418 135 HZ1 LYS 16 3HZ LYS 16 -6.592 5.610 -5.200 136 HZ2 LYS 16 1HZ LYS 16 -5.154 6.414 -5.588 137 HZ3 LYS 16 2HZ LYS 16 -5.921 6.726 -4.117 138 H ALA 17 H ALA 17 1.628 5.933 -3.642 139 HA ALA 17 HA ALA 17 2.480 8.001 -1.950 140 HB1 ALA 17 3HB ALA 17 4.492 6.674 -1.596 141 HB2 ALA 17 1HB ALA 17 4.109 5.691 -3.012 142 HB3 ALA 17 2HB ALA 17 3.058 5.649 -1.596 143 H LYS 18 H LYS 18 3.737 7.025 -5.157 144 HA LYS 18 HA LYS 18 5.625 9.203 -5.243 145 HB2 LYS 18 2HB LYS 18 4.709 7.159 -7.252 146 HB3 LYS 18 1HB LYS 18 5.666 8.537 -7.774 147 HG2 LYS 18 2HG LYS 18 7.212 6.807 -7.435 148 HG3 LYS 18 1HG LYS 18 7.372 7.846 -6.023 149 HD2 LYS 18 2HD LYS 18 7.384 5.671 -5.153 150 HD3 LYS 18 1HD LYS 18 5.737 6.238 -4.876 151 HE2 LYS 18 2HE LYS 18 5.626 3.990 -5.701 152 HE3 LYS 18 1HE LYS 18 5.052 5.068 -6.972 153 HZ1 LYS 18 3HZ LYS 18 6.532 3.356 -7.829 154 HZ2 LYS 18 1HZ LYS 18 7.774 3.892 -6.815 155 HZ3 LYS 18 2HZ LYS 18 7.203 4.893 -8.051 156 H ALA 19 H ALA 19 2.283 8.883 -5.971 157 HA ALA 19 HA ALA 19 2.158 11.248 -7.659 158 HB1 ALA 19 3HB ALA 19 -0.079 9.623 -6.440 159 HB2 ALA 19 1HB ALA 19 0.622 9.365 -8.037 160 HB3 ALA 19 2HB ALA 19 -0.246 10.860 -7.686 161 H GLY 20 H GLY 20 1.930 10.508 -4.280 162 HA2 GLY 20 2HA GLY 20 1.980 12.014 -2.504 163 HA3 GLY 20 1HA GLY 20 1.697 13.327 -3.634 164 H VAL 21 H VAL 21 -0.613 11.068 -4.292 165 HA VAL 21 HA VAL 21 -2.655 12.639 -2.921 166 HB VAL 21 HB VAL 21 -4.269 11.439 -4.306 167 HG11 VAL 21 1HG1 VAL 21 -3.165 13.409 -5.242 168 HG12 VAL 21 2HG1 VAL 21 -3.547 12.236 -6.501 169 HG13 VAL 21 3HG1 VAL 21 -1.890 12.388 -5.913 170 HG21 VAL 21 3HG2 VAL 21 -3.232 9.235 -4.351 171 HG22 VAL 21 1HG2 VAL 21 -1.898 9.857 -5.326 172 HG23 VAL 21 2HG2 VAL 21 -3.530 9.801 -5.994 173 H ILE 22 H ILE 22 -0.872 10.387 -1.685 174 HA ILE 22 HA ILE 22 -2.825 8.421 -0.838 175 HB ILE 22 HB ILE 22 -0.557 7.704 -1.346 176 HG12 ILE 22 2HG1 ILE 22 -1.128 7.417 1.618 177 HG13 ILE 22 1HG1 ILE 22 -1.854 6.443 0.342 178 HG21 ILE 22 1HG2 ILE 22 0.336 9.436 0.962 179 HG22 ILE 22 2HG2 ILE 22 0.662 9.723 -0.748 180 HG23 ILE 22 3HG2 ILE 22 1.357 8.316 0.055 181 HD11 ILE 22 3HD1 ILE 22 -0.062 5.241 1.431 182 HD12 ILE 22 1HD1 ILE 22 1.069 6.542 1.054 183 HD13 ILE 22 2HD1 ILE 22 0.360 5.584 -0.247 184 H THR 23 H THR 23 -4.045 8.539 0.963 185 HA THR 23 HA THR 23 -3.711 10.732 2.839 186 HB THR 23 HB THR 23 -5.730 9.965 3.912 187 HG1 THR 23 HG1 THR 23 -6.669 7.932 2.773 188 HG21 THR 23 3HG2 THR 23 -7.303 9.959 2.013 189 HG22 THR 23 1HG2 THR 23 -5.955 9.677 0.909 190 HG23 THR 23 2HG2 THR 23 -6.047 11.181 1.824 191 H GLU 24 H GLU 24 -4.003 10.145 5.282 192 HA GLU 24 HA GLU 24 -1.714 8.685 6.093 193 HB2 GLU 24 2HB GLU 24 -4.066 9.564 7.779 194 HB3 GLU 24 1HB GLU 24 -2.489 9.066 8.383 195 HG2 GLU 24 2HG GLU 24 -1.532 10.977 7.007 196 HG3 GLU 24 1HG GLU 24 -3.192 11.535 6.823 197 H GLU 25 H GLU 25 -5.170 7.855 6.054 198 HA GLU 25 HA GLU 25 -4.937 5.312 7.244 199 HB2 GLU 25 2HB GLU 25 -7.107 6.328 6.992 200 HB3 GLU 25 1HB GLU 25 -6.937 6.383 5.242 201 HG2 GLU 25 2HG GLU 25 -7.014 3.961 5.129 202 HG3 GLU 25 1HG GLU 25 -7.084 3.863 6.886 203 H GLU 26 H GLU 26 -4.681 6.345 3.844 204 HA GLU 26 HA GLU 26 -4.249 3.723 2.823 205 HB2 GLU 26 2HB GLU 26 -3.472 6.404 1.642 206 HB3 GLU 26 1HB GLU 26 -3.449 4.872 0.777 207 HG2 GLU 26 2HG GLU 26 -5.886 4.661 1.170 208 HG3 GLU 26 1HG GLU 26 -5.870 6.256 1.919 209 H LYS 27 H LYS 27 -2.087 6.190 4.126 210 HA LYS 27 HA LYS 27 0.383 4.944 3.559 211 HB2 LYS 27 2HB LYS 27 -0.485 6.740 5.833 212 HB3 LYS 27 1HB LYS 27 1.167 6.166 5.663 213 HG2 LYS 27 2HG LYS 27 1.451 7.338 3.605 214 HG3 LYS 27 1HG LYS 27 -0.268 7.735 3.525 215 HD2 LYS 27 2HD LYS 27 -0.067 9.160 5.482 216 HD3 LYS 27 1HD LYS 27 1.621 8.690 5.688 217 HE2 LYS 27 2HE LYS 27 0.601 10.043 3.199 218 HE3 LYS 27 1HE LYS 27 1.195 10.943 4.595 219 HZ1 LYS 27 3HZ LYS 27 2.741 8.983 2.982 220 HZ2 LYS 27 1HZ LYS 27 3.317 9.767 4.366 221 HZ3 LYS 27 2HZ LYS 27 2.940 10.660 2.983 222 H ALA 28 H ALA 28 -1.735 4.700 6.422 223 HA ALA 28 HA ALA 28 -0.312 2.701 7.793 224 HB1 ALA 28 3HB ALA 28 -2.069 4.034 8.844 225 HB2 ALA 28 1HB ALA 28 -2.402 2.311 9.016 226 HB3 ALA 28 2HB ALA 28 -3.281 3.265 7.819 227 H GLU 29 H GLU 29 -2.840 2.497 5.327 228 HA GLU 29 HA GLU 29 -3.210 -0.274 5.242 229 HB2 GLU 29 2HB GLU 29 -4.610 1.380 4.035 230 HB3 GLU 29 1HB GLU 29 -3.277 1.696 2.935 231 HG2 GLU 29 2HG GLU 29 -4.531 0.244 1.693 232 HG3 GLU 29 1HG GLU 29 -3.415 -0.870 2.476 233 H GLN 30 H GLN 30 -0.957 1.774 3.387 234 HA GLN 30 HA GLN 30 0.373 -0.221 1.962 235 HB2 GLN 30 2HB GLN 30 0.636 2.175 1.484 236 HB3 GLN 30 1HB GLN 30 1.474 2.400 3.016 237 HG2 GLN 30 2HG GLN 30 3.264 0.887 2.219 238 HG3 GLN 30 1HG GLN 30 2.432 0.765 0.670 239 HE21 GLN 30 1HE2 GLN 30 4.206 1.635 -0.416 240 HE22 GLN 30 2HE2 GLN 30 4.596 3.313 -0.329 241 H GLN 31 H GLN 31 1.305 1.262 5.076 242 HA GLN 31 HA GLN 31 3.539 -0.326 5.617 243 HB2 GLN 31 2HB GLN 31 3.000 1.688 6.899 244 HB3 GLN 31 1HB GLN 31 1.572 0.905 7.562 245 HG2 GLN 31 2HG GLN 31 3.006 -0.740 8.692 246 HG3 GLN 31 1HG GLN 31 4.432 0.069 8.041 247 HE21 GLN 31 1HE2 GLN 31 5.237 0.549 10.079 248 HE22 GLN 31 2HE2 GLN 31 4.522 1.751 11.096 249 H LYS 32 H LYS 32 0.137 -0.848 6.464 250 HA LYS 32 HA LYS 32 0.285 -3.162 7.971 251 HB2 LYS 32 2HB LYS 32 -1.781 -1.864 7.571 252 HB3 LYS 32 1HB LYS 32 -1.805 -2.419 5.904 253 HG2 LYS 32 2HG LYS 32 -1.954 -4.779 6.849 254 HG3 LYS 32 1HG LYS 32 -2.288 -4.016 8.405 255 HD2 LYS 32 2HD LYS 32 -3.904 -3.786 5.861 256 HD3 LYS 32 1HD LYS 32 -4.388 -4.559 7.370 257 HE2 LYS 32 2HE LYS 32 -3.832 -1.606 7.030 258 HE3 LYS 32 1HE LYS 32 -5.433 -2.342 7.045 259 HZ1 LYS 32 3HZ LYS 32 -4.828 -1.389 9.186 260 HZ2 LYS 32 1HZ LYS 32 -3.496 -2.425 9.295 261 HZ3 LYS 32 2HZ LYS 32 -5.067 -3.057 9.303 262 H LEU 33 H LEU 33 -0.207 -2.951 4.446 263 HA LEU 33 HA LEU 33 0.012 -5.772 4.061 264 HG LEU 33 HG LEU 33 -2.032 -3.476 3.177 265 HB2 LEU 33 2HB LEU 33 0.120 -3.525 2.046 266 HB3 LEU 33 1HB LEU 33 -0.085 -5.227 1.666 267 HD11 LEU 33 1HD1 LEU 33 -2.020 -3.061 0.791 268 HD12 LEU 33 2HD1 LEU 33 -3.500 -3.892 1.265 269 HD13 LEU 33 3HD1 LEU 33 -2.205 -4.784 0.469 270 HD21 LEU 33 3HD2 LEU 33 -3.519 -5.433 3.180 271 HD22 LEU 33 1HD2 LEU 33 -2.053 -5.720 4.118 272 HD23 LEU 33 2HD2 LEU 33 -2.220 -6.417 2.506 273 H ARG 34 H ARG 34 2.322 -3.126 3.955 274 HA ARG 34 HA ARG 34 4.419 -4.609 2.738 275 HE ARG 34 HE ARG 34 7.300 -0.983 3.673 276 HB2 ARG 34 2HB ARG 34 4.451 -2.194 4.549 277 HB3 ARG 34 1HB ARG 34 5.933 -2.931 3.953 278 HG2 ARG 34 2HG ARG 34 5.132 -2.563 1.630 279 HG3 ARG 34 1HG ARG 34 3.727 -1.722 2.285 280 HD2 ARG 34 2HD ARG 34 5.457 -0.145 1.571 281 HD3 ARG 34 1HD ARG 34 5.190 -0.058 3.311 282 HH11 ARG 34 1HH1 ARG 34 6.610 -0.773 0.294 283 HH12 ARG 34 2HH1 ARG 34 8.248 -1.091 -0.165 284 HH21 ARG 34 1HH2 ARG 34 9.395 -1.415 3.049 285 HH22 ARG 34 2HH2 ARG 34 9.793 -1.455 1.369 286 H GLN 35 H GLN 35 3.327 -4.291 6.098 287 HA GLN 35 HA GLN 35 5.340 -5.887 7.280 288 HB2 GLN 35 2HB GLN 35 2.446 -5.488 8.083 289 HB3 GLN 35 1HB GLN 35 3.644 -6.301 9.082 290 HG2 GLN 35 2HG GLN 35 3.802 -3.430 8.165 291 HG3 GLN 35 1HG GLN 35 3.271 -3.968 9.758 292 HE21 GLN 35 1HE2 GLN 35 5.542 -2.268 8.958 293 HE22 GLN 35 2HE2 GLN 35 6.936 -3.025 9.631 294 H GLU 36 H GLU 36 2.225 -6.729 5.796 295 HA GLU 36 HA GLU 36 2.312 -9.520 6.086 296 HB2 GLU 36 2HB GLU 36 1.224 -7.850 3.798 297 HB3 GLU 36 1HB GLU 36 0.888 -9.560 4.031 298 HG2 GLU 36 2HG GLU 36 0.202 -7.468 6.083 299 HG3 GLU 36 1HG GLU 36 -0.895 -7.929 4.782 300 H TYR 37 H TYR 37 3.680 -7.409 3.605 301 HA TYR 37 HA TYR 37 4.912 -9.399 2.014 302 HD1 TYR 37 HD1 TYR 37 5.505 -8.505 -0.695 303 HD2 TYR 37 HD2 TYR 37 7.859 -6.273 2.068 304 HE1 TYR 37 HE1 TYR 37 7.406 -8.581 -2.256 305 HE2 TYR 37 HE2 TYR 37 9.763 -6.349 0.517 306 HH TYR 37 HH TYR 37 9.469 -7.275 -2.724 307 HB2 TYR 37 2HB TYR 37 4.473 -7.176 1.157 308 HB3 TYR 37 1HB TYR 37 5.499 -6.451 2.386 309 H LEU 38 H LEU 38 5.924 -7.722 4.925 310 HA LEU 38 HA LEU 38 8.646 -8.677 4.825 311 HG LEU 38 HG LEU 38 7.593 -5.795 5.194 312 HB2 LEU 38 2HB LEU 38 7.072 -7.348 7.033 313 HB3 LEU 38 1HB LEU 38 8.768 -7.772 7.159 314 HD11 LEU 38 1HD1 LEU 38 8.756 -4.100 6.515 315 HD12 LEU 38 2HD1 LEU 38 9.283 -5.337 7.656 316 HD13 LEU 38 3HD1 LEU 38 7.566 -4.961 7.489 317 HD21 LEU 38 3HD2 LEU 38 10.464 -6.585 5.701 318 HD22 LEU 38 1HD2 LEU 38 9.934 -5.256 4.665 319 HD23 LEU 38 2HD2 LEU 38 9.523 -6.918 4.247 320 H LYS 39 H LYS 39 5.642 -9.960 5.928 321 HA LYS 39 HA LYS 39 6.580 -11.769 7.880 322 HB2 LYS 39 2HB LYS 39 4.208 -11.955 6.008 323 HB3 LYS 39 1HB LYS 39 4.522 -13.118 7.291 324 HG2 LYS 39 2HG LYS 39 3.996 -10.167 7.647 325 HG3 LYS 39 1HG LYS 39 2.883 -11.486 8.014 326 HD2 LYS 39 2HD LYS 39 4.342 -12.307 9.752 327 HD3 LYS 39 1HD LYS 39 5.585 -11.131 9.319 328 HE2 LYS 39 2HE LYS 39 4.071 -9.308 9.966 329 HE3 LYS 39 1HE LYS 39 2.844 -10.495 10.415 330 HZ1 LYS 39 3HZ LYS 39 4.140 -9.671 12.315 331 HZ2 LYS 39 1HZ LYS 39 5.543 -10.326 11.642 332 HZ3 LYS 39 2HZ LYS 39 4.273 -11.339 12.119 333 H GLY 40 H GLY 40 8.190 -13.135 7.567 334 HA2 GLY 40 2HA GLY 40 9.050 -15.168 6.594 335 HA3 GLY 40 1HA GLY 40 8.325 -14.698 5.064 336 H PHE 41 H PHE 41 9.221 -11.931 5.277 337 HA PHE 41 HA PHE 41 11.884 -12.281 4.200 338 HD1 PHE 41 HD1 PHE 41 12.536 -10.876 1.869 339 HD2 PHE 41 HD2 PHE 41 11.725 -8.065 4.970 340 HE1 PHE 41 HE1 PHE 41 14.410 -9.483 1.097 341 HE2 PHE 41 HE2 PHE 41 13.599 -6.670 4.200 342 HZ PHE 41 HZ PHE 41 14.942 -7.377 2.261 343 HB2 PHE 41 2HB PHE 41 10.318 -10.783 3.068 344 HB3 PHE 41 1HB PHE 41 10.173 -9.799 4.519 345 H ARG 42 H ARG 42 13.746 -11.927 5.238 346 HA ARG 42 HA ARG 42 13.806 -11.166 7.997 347 HE ARG 42 HE ARG 42 13.169 -14.653 7.109 348 HB2 ARG 42 2HB ARG 42 16.125 -11.403 6.062 349 HB3 ARG 42 1HB ARG 42 16.217 -11.426 7.819 350 HG2 ARG 42 2HG ARG 42 14.910 -13.509 6.072 351 HG3 ARG 42 1HG ARG 42 16.453 -13.665 6.912 352 HD2 ARG 42 2HD ARG 42 15.253 -14.634 8.546 353 HD3 ARG 42 1HD ARG 42 14.753 -12.997 8.963 354 HH11 ARG 42 1HH1 ARG 42 13.389 -12.727 9.963 355 HH12 ARG 42 2HH1 ARG 42 11.705 -12.873 10.316 356 HH21 ARG 42 1HH2 ARG 42 11.030 -14.864 7.605 357 HH22 ARG 42 2HH2 ARG 42 10.383 -14.071 9.000 358 H SER 43 H SER 43 13.305 -9.113 8.501 359 HA SER 43 HA SER 43 13.530 -6.917 6.732 360 HG SER 43 HG SER 43 12.068 -4.848 9.167 361 HB2 SER 43 2HB SER 43 11.864 -6.963 8.532 362 HB3 SER 43 1HB SER 43 13.145 -6.901 9.742 363 H SER 44 H SER 44 14.793 -5.000 6.885 364 HA SER 44 HA SER 44 17.566 -5.510 7.565 365 HG SER 44 HG SER 44 18.630 -3.195 7.404 366 HB2 SER 44 2HB SER 44 17.020 -4.353 5.469 367 HB3 SER 44 1HB SER 44 16.263 -3.045 6.371 368 H MET 45 H MET 45 14.953 -4.334 9.288 369 HA MET 45 HA MET 45 16.724 -3.259 11.342 370 HB2 MET 45 2HB MET 45 15.304 -1.238 11.671 371 HB3 MET 45 1HB MET 45 16.178 -1.241 10.147 372 HG2 MET 45 2HG MET 45 14.188 -1.804 8.929 373 HG3 MET 45 1HG MET 45 13.288 -2.052 10.425 374 HE1 MET 45 3HE MET 45 15.125 0.619 8.173 375 HE2 MET 45 1HE MET 45 15.876 0.826 9.754 376 HE3 MET 45 2HE MET 45 14.838 2.095 9.096 377 H LYS 46 H LYS 46 16.219 -4.229 13.180 378 HA LYS 46 HA LYS 46 13.380 -4.646 13.867 379 HB2 LYS 46 2HB LYS 46 14.625 -6.776 13.167 380 HB3 LYS 46 1HB LYS 46 15.578 -6.585 14.628 381 HG2 LYS 46 2HG LYS 46 12.569 -6.796 14.660 382 HG3 LYS 46 1HG LYS 46 13.626 -8.205 14.725 383 HD2 LYS 46 2HD LYS 46 13.608 -5.928 16.719 384 HD3 LYS 46 1HD LYS 46 12.858 -7.506 16.960 385 HE2 LYS 46 2HE LYS 46 15.032 -8.589 16.831 386 HE3 LYS 46 1HE LYS 46 15.808 -7.045 16.480 387 HZ1 LYS 46 3HZ LYS 46 15.067 -6.259 18.668 388 HZ2 LYS 46 1HZ LYS 46 16.094 -7.597 18.783 389 HZ3 LYS 46 2HZ LYS 46 14.426 -7.785 18.999 390 H LEU 47 H LEU 47 13.110 -3.055 15.339 391 HA LEU 47 HA LEU 47 14.484 -3.195 17.858 392 HG LEU 47 HG LEU 47 14.908 -1.198 14.785 393 HB2 LEU 47 2HB LEU 47 15.277 -0.784 17.757 394 HB3 LEU 47 1HB LEU 47 16.205 -1.958 16.847 395 HD11 LEU 47 1HD1 LEU 47 13.054 -0.072 15.861 396 HD12 LEU 47 2HD1 LEU 47 13.956 1.065 14.861 397 HD13 LEU 47 3HD1 LEU 47 14.155 1.082 16.614 398 HD21 LEU 47 3HD2 LEU 47 16.343 0.762 14.451 399 HD22 LEU 47 1HD2 LEU 47 17.225 -0.583 15.170 400 HD23 LEU 47 2HD2 LEU 47 16.722 0.775 16.172 401 H GLU 48 H GLU 48 13.802 -1.136 19.243 402 HA GLU 48 HA GLU 48 11.207 -0.055 18.556 403 HB2 GLU 48 2HB GLU 48 10.586 -2.286 19.384 404 HB3 GLU 48 1HB GLU 48 11.448 -1.980 20.884 405 HG2 GLU 48 2HG GLU 48 9.888 -0.084 21.321 406 HG3 GLU 48 1HG GLU 48 8.976 -0.572 19.892