============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. PHE 17 1.000 16.455 52.677 68.199 -99.200 -91.000 TYR 18 0.840 16.278 47.646 66.325 -99.200 -91.000 TYR 32 0.840 39.185 51.193 67.556 -99.200 -91.000 TYR 34 0.840 38.300 43.917 65.887 -99.200 -91.000 HIS 50 0.900 19.855 28.126 65.177 -99.200 -91.000 PHE 65 1.000 21.048 39.858 71.996 -99.200 -91.000 HIS 74 0.900 17.299 36.223 75.035 -99.200 -91.000 TYR 104 0.840 16.700 53.598 77.164 -99.200 -91.000 PHE 109 1.000 11.000 63.313 87.039 -99.200 -91.000 HIS 120 0.900 0.090 70.961 79.003 -99.200 -91.000 PHE 125 1.000 4.578 56.458 77.867 -99.200 -91.000 HIS 136 0.900 8.007 46.094 82.014 -99.200 -91.000 TYR 143 0.840 2.561 59.117 81.990 -99.200 -91.000 TYR 158 0.840 -5.465 60.865 80.907 -99.200 -91.000 TYR 164 0.840 8.246 49.725 69.760 -99.200 -91.000 TYR 166 0.840 1.787 58.162 60.217 -99.200 -91.000 PHE 187 1.000 7.357 60.523 77.240 -99.200 -91.000 HIS 199 0.900 0.869 63.392 60.155 -99.200 -91.000 PHE 217 1.000 12.989 58.460 74.622 -99.200 -91.000 TYR 238 0.840 27.897 57.200 63.881 -99.200 -91.000 TYR 251 0.840 34.736 43.990 78.738 -99.200 -91.000 HIS 266 0.900 18.618 62.218 79.534 -99.200 -91.000 PHE 270 1.000 12.305 71.649 75.509 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2nzvG1 LYS 58 HA 0.00 -0.05 0.23 -0.75 4.32 3.75 2nzvG1 LYS 58 HB2 0.01 -0.04 0.07 -0.04 1.87 1.86 2nzvG1 LYS 58 HB3 0.01 -0.05 0.06 -0.04 1.79 1.77 2nzvG1 LYS 58 HG2 0.01 -0.01 -0.02 -0.04 1.46 1.40 2nzvG1 LYS 58 HG3 0.01 0.03 -0.23 -0.04 1.46 1.23 2nzvG1 LYS 58 HD2 0.00 0.02 0.08 -0.04 1.69 1.76 2nzvG1 LYS 58 HD3 0.00 -0.04 0.03 -0.04 1.68 1.63 2nzvG1 LYS 58 HE2 0.00 -0.03 0.02 -0.04 2.99 2.94 2nzvG1 LYS 58 HE3 0.01 0.00 0.00 -0.04 2.99 2.96 2nzvG1 LYS 59 H 0.01 0.09 0.09 -0.55 8.42 8.05 2nzvG1 LYS 59 HA 0.02 0.09 0.38 -0.75 4.32 4.06 2nzvG1 LYS 59 HB2 -0.00 0.05 0.12 -0.04 1.87 2.00 2nzvG1 LYS 59 HB3 0.01 -0.32 0.23 -0.04 1.79 1.68 2nzvG1 LYS 59 HG2 0.05 0.04 0.09 -0.04 1.46 1.61 2nzvG1 LYS 59 HG3 0.05 0.03 0.09 -0.04 1.46 1.59 2nzvG1 LYS 59 HD2 0.02 -0.03 0.13 -0.04 1.69 1.76 2nzvG1 LYS 59 HD3 0.03 0.04 0.07 -0.04 1.68 1.78 2nzvG1 LYS 59 HE2 0.03 0.07 0.03 -0.04 2.99 3.08 2nzvG1 LYS 59 HE3 0.02 0.01 -0.14 -0.04 2.99 2.85 2nzvG1 THR 60 H 0.01 -0.12 0.24 -0.55 8.28 7.86 2nzvG1 THR 60 HA -0.02 0.26 0.90 -0.75 4.39 4.79 2nzvG1 THR 60 HB 0.00 -0.03 0.21 -0.04 4.32 4.46 2nzvG1 THR 60 HG23 0.00 0.07 -0.08 -0.04 1.22 1.17 2nzvG1 THR 61 H -0.05 -0.02 0.19 -0.55 8.28 7.85 2nzvG1 THR 61 HA -0.38 0.06 0.41 -0.75 4.39 3.73 2nzvG1 THR 61 HB -0.09 0.03 0.27 -0.04 4.32 4.48 2nzvG1 THR 61 HG23 -0.28 0.01 0.25 -0.04 1.22 1.15 2nzvG1 THR 62 H 0.04 -0.01 -0.33 -0.55 8.28 7.44 2nzvG1 THR 62 HA 0.09 0.27 1.07 -0.75 4.39 5.06 2nzvG1 THR 62 HB 0.03 -0.01 -0.19 -0.04 4.32 4.11 2nzvG1 THR 62 HG23 0.01 0.05 -0.17 -0.04 1.22 1.07 2nzvG1 VAL 63 H 0.15 0.49 0.16 -0.55 8.24 8.49 2nzvG1 VAL 63 HA 0.07 0.02 0.71 -0.75 4.13 4.18 2nzvG1 VAL 63 HB -0.01 -0.02 -0.25 -0.04 2.12 1.80 2nzvG1 VAL 63 HG13 -0.02 -0.03 -0.19 -0.04 0.97 0.69 2nzvG1 VAL 63 HG23 0.09 0.01 -0.09 -0.04 0.95 0.92 2nzvG1 GLY 64 H 0.02 0.70 0.31 -0.55 8.43 8.91 2nzvG1 GLY 64 HA2 0.01 0.03 0.83 -0.51 4.01 4.36 2nzvG1 GLY 64 HA3 0.01 0.09 0.34 -0.51 4.01 3.95 2nzvG1 VAL 65 H -0.01 0.54 0.18 -0.55 8.24 8.40 2nzvG1 VAL 65 HA -0.01 0.20 0.94 -0.75 4.13 4.51 2nzvG1 VAL 65 HB -0.04 -0.04 -0.08 -0.04 2.12 1.92 2nzvG1 VAL 65 HG13 -0.02 0.02 -0.30 -0.04 0.97 0.63 2nzvG1 VAL 65 HG23 -0.04 -0.03 -0.11 -0.04 0.95 0.73 2nzvG1 ILE 66 H -0.06 0.51 0.16 -0.55 8.25 8.32 2nzvG1 ILE 66 HA -0.10 0.31 1.07 -0.75 4.18 4.71 2nzvG1 ILE 66 HB -0.22 -0.04 0.20 -0.04 1.89 1.79 2nzvG1 ILE 66 HG12 -0.03 0.06 -0.11 -0.04 1.49 1.37 2nzvG1 ILE 66 HG13 0.01 -0.00 -0.25 -0.04 1.21 0.92 2nzvG1 ILE 66 HG23 -0.21 -0.01 -0.16 -0.04 0.93 0.51 2nzvG1 ILE 66 HD13 0.11 0.02 -0.20 -0.04 0.88 0.77 2nzvG1 ILE 67 H -0.16 0.57 0.24 -0.55 8.25 8.36 2nzvG1 ILE 67 HA -0.33 0.20 0.83 -0.75 4.18 4.13 2nzvG1 ILE 67 HB -0.14 0.07 -0.17 -0.04 1.89 1.61 2nzvG1 ILE 67 HG12 -0.65 -0.17 -0.02 -0.04 1.49 0.61 2nzvG1 ILE 67 HG13 -0.26 0.09 0.01 -0.04 1.21 1.01 2nzvG1 ILE 67 HG23 -0.14 -0.02 -0.34 -0.04 0.93 0.39 2nzvG1 ILE 67 HD13 0.00 -0.03 -0.15 -0.04 0.88 0.66 2nzvG1 PRO 68 HA -0.20 -0.10 0.82 -0.51 4.44 4.44 2nzvG1 PRO 68 HB2 -0.35 0.02 0.14 -0.04 2.28 2.05 2nzvG1 PRO 68 HB3 -0.12 -0.07 0.11 -0.04 2.02 1.91 2nzvG1 PRO 68 HG2 -0.23 0.02 -0.03 -0.04 2.03 1.76 2nzvG1 PRO 68 HG3 -0.26 0.14 -0.01 -0.04 2.03 1.87 2nzvG1 PRO 68 HD2 -1.95 0.05 0.15 -0.04 3.68 1.89 2nzvG1 PRO 68 HD3 -0.55 0.32 0.12 -0.04 3.65 3.49 2nzvG1 ASP 69 H -0.38 0.21 -0.02 -0.55 8.40 7.66 2nzvG1 ASP 69 HA -0.04 0.16 0.62 -0.75 4.63 4.62 2nzvG1 ASP 69 HB2 0.01 0.10 -0.17 -0.04 2.71 2.60 2nzvG1 ASP 69 HB3 0.10 -0.04 0.08 -0.04 2.70 2.79 2nzvG1 ILE 70 H -0.02 0.28 0.01 -0.55 8.25 7.97 2nzvG1 ILE 70 HA 0.08 0.04 0.37 -0.75 4.18 3.91 2nzvG1 ILE 70 HB 0.02 0.08 0.11 -0.04 1.89 2.05 2nzvG1 ILE 70 HG12 -0.01 0.12 -0.05 -0.04 1.49 1.51 2nzvG1 ILE 70 HG13 -0.02 -0.09 0.01 -0.04 1.21 1.08 2nzvG1 ILE 70 HG23 -0.01 0.01 -0.10 -0.04 0.93 0.80 2nzvG1 ILE 70 HD13 0.01 0.01 -0.20 -0.04 0.88 0.66 2nzvG1 SER 71 H 0.05 0.06 -0.63 -0.55 8.46 7.39 2nzvG1 SER 71 HA 0.04 0.21 0.57 -0.75 4.49 4.56 2nzvG1 SER 71 HB2 0.04 -0.02 0.00 -0.04 3.95 3.94 2nzvG1 SER 71 HB3 0.03 0.08 0.11 -0.04 3.93 4.11 2nzvG1 ASN 72 H 0.11 0.12 -0.65 -0.55 8.53 7.57 2nzvG1 ASN 72 HA 0.07 0.19 0.89 -0.75 4.76 5.16 2nzvG1 ASN 72 HB2 0.18 0.10 0.03 -0.04 2.88 3.14 2nzvG1 ASN 72 HB3 0.26 -0.12 0.17 -0.04 2.79 3.06 2nzvG1 ASN 72 HD21 -0.05 0.01 0.03 -0.04 7.03 6.98 2nzvG1 ASN 72 HD22 0.11 0.05 0.02 -0.04 7.74 7.88 2nzvG1 ILE 73 H 0.06 0.24 0.13 -0.55 8.25 8.13 2nzvG1 ILE 73 HA 0.04 0.16 0.31 -0.75 4.18 3.95 2nzvG1 ILE 73 HB 0.07 -0.09 0.11 -0.04 1.89 1.94 2nzvG1 ILE 73 HG12 0.03 0.04 0.09 -0.04 1.49 1.61 2nzvG1 ILE 73 HG13 0.04 0.12 0.13 -0.04 1.21 1.46 2nzvG1 ILE 73 HG23 0.03 0.02 0.04 -0.04 0.93 0.98 2nzvG1 ILE 73 HD13 0.04 -0.03 0.15 -0.04 0.88 1.00 2nzvG1 PHE 74 H 0.14 0.06 -0.14 -0.55 8.34 7.85 2nzvG1 PHE 74 HA -0.05 0.08 0.42 -0.75 4.62 4.32 2nzvG1 PHE 74 HB2 -0.15 -0.01 0.12 -0.04 3.15 3.07 2nzvG1 PHE 74 HB3 -0.30 -0.06 0.10 -0.04 3.06 2.75 2nzvG1 PHE 74 HD2 -0.57 -0.05 -0.06 -0.04 7.28 6.56 2nzvG1 PHE 74 HE2 -0.17 0.05 -0.03 -0.04 7.38 7.20 2nzvG1 PHE 74 HZ -0.05 0.08 0.00 -0.04 7.32 7.31 2nzvG1 TYR 75 H 0.16 0.07 -0.09 -0.55 8.29 7.88 2nzvG1 TYR 75 HA -0.08 0.11 0.45 -0.75 4.56 4.28 2nzvG1 TYR 75 HB2 0.06 0.10 0.11 -0.04 3.06 3.30 2nzvG1 TYR 75 HB3 0.01 -0.01 -0.11 -0.04 2.98 2.83 2nzvG1 TYR 75 HD2 0.07 0.10 0.05 -0.04 7.15 7.32 2nzvG1 TYR 75 HE2 0.06 0.07 -0.02 -0.04 6.85 6.93 2nzvG1 ALA 76 H 0.10 0.70 -0.12 -0.55 8.40 8.54 2nzvG1 ALA 76 HA 0.04 0.04 0.52 -0.75 4.34 4.18 2nzvG1 ALA 76 HB3 0.04 0.08 0.04 -0.04 1.41 1.53 2nzvG1 GLU 77 H -0.01 0.69 -0.01 -0.55 8.60 8.72 2nzvG1 GLU 77 HA 0.03 0.05 0.39 -0.75 4.29 4.00 2nzvG1 GLU 77 HB2 -0.04 0.38 0.25 -0.04 2.09 2.64 2nzvG1 GLU 77 HB3 -0.11 -0.04 0.01 -0.04 1.99 1.81 2nzvG1 GLU 77 HG2 0.02 0.03 0.08 -0.04 2.34 2.42 2nzvG1 GLU 77 HG3 0.00 -0.07 0.04 -0.04 2.34 2.27 2nzvG1 LEU 78 H -0.12 0.30 -0.49 -0.55 8.37 7.51 2nzvG1 LEU 78 HA -0.12 0.05 0.36 -0.75 4.35 3.89 2nzvG1 LEU 78 HB2 -0.18 0.08 0.15 -0.04 1.64 1.64 2nzvG1 LEU 78 HB3 -0.07 0.04 -0.09 -0.04 1.64 1.48 2nzvG1 LEU 78 HG -0.23 -0.06 -0.04 -0.04 1.64 1.27 2nzvG1 LEU 78 HD13 -0.43 0.00 -0.09 -0.04 0.93 0.37 2nzvG1 LEU 78 HD23 -0.07 -0.02 -0.14 -0.04 0.89 0.62 2nzvG1 ALA 79 H -0.02 0.50 -0.03 -0.55 8.40 8.29 2nzvG1 ALA 79 HA -0.05 0.00 0.35 -0.75 4.34 3.89 2nzvG1 ALA 79 HB3 -0.01 0.03 0.12 -0.04 1.41 1.51 2nzvG1 ARG 80 H -0.01 0.40 -0.47 -0.55 8.46 7.82 2nzvG1 ARG 80 HA 0.01 0.04 0.42 -0.75 4.34 4.06 2nzvG1 ARG 80 HB2 0.06 0.01 0.04 -0.04 1.90 1.98 2nzvG1 ARG 80 HB3 0.13 0.11 0.06 -0.04 1.80 2.07 2nzvG1 ARG 80 HG2 0.19 -0.02 -0.03 -0.04 1.67 1.77 2nzvG1 ARG 80 HG3 0.39 0.00 -0.26 -0.04 1.67 1.76 2nzvG1 ARG 80 HD2 0.07 -0.04 0.10 -0.04 3.22 3.31 2nzvG1 ARG 80 HD3 0.07 0.01 0.01 -0.04 3.22 3.27 2nzvG1 GLY 81 H -0.22 0.28 -0.16 -0.55 8.43 7.78 2nzvG1 GLY 81 HA2 -1.90 0.05 0.52 -0.51 4.01 2.17 2nzvG1 GLY 81 HA3 -0.81 0.05 0.52 -0.51 4.01 3.26 2nzvG1 ILE 82 H -0.20 0.44 -0.16 -0.55 8.25 7.78 2nzvG1 ILE 82 HA -0.15 0.03 0.10 -0.75 4.18 3.40 2nzvG1 ILE 82 HB -0.08 0.09 0.15 -0.04 1.89 2.01 2nzvG1 ILE 82 HG12 -0.10 0.26 0.00 -0.04 1.49 1.61 2nzvG1 ILE 82 HG13 -0.06 -0.06 -0.09 -0.04 1.21 0.96 2nzvG1 ILE 82 HG23 -0.07 0.00 -0.18 -0.04 0.93 0.65 2nzvG1 ILE 82 HD13 -0.10 -0.05 -0.09 -0.04 0.88 0.60 2nzvG1 GLU 83 H -0.07 0.55 -0.04 -0.55 8.60 8.50 2nzvG1 GLU 83 HA -0.01 0.02 0.28 -0.75 4.29 3.83 2nzvG1 GLU 83 HB2 -0.01 0.04 0.12 -0.04 2.09 2.20 2nzvG1 GLU 83 HB3 -0.00 -0.01 0.17 -0.04 1.99 2.11 2nzvG1 GLU 83 HG2 0.02 -0.03 -0.01 -0.04 2.34 2.28 2nzvG1 GLU 83 HG3 0.02 0.03 -0.20 -0.04 2.34 2.15 2nzvG1 ASP 84 H -0.01 0.40 -0.06 -0.55 8.40 8.18 2nzvG1 ASP 84 HA 0.05 -0.03 0.35 -0.75 4.63 4.25 2nzvG1 ASP 84 HB2 0.03 0.15 0.18 -0.04 2.71 3.03 2nzvG1 ASP 84 HB3 0.14 -0.05 0.04 -0.04 2.70 2.79 2nzvG1 ILE 85 H -0.09 0.56 -0.17 -0.55 8.25 8.00 2nzvG1 ILE 85 HA 0.02 0.05 0.74 -0.75 4.18 4.24 2nzvG1 ILE 85 HB -0.15 0.10 0.16 -0.04 1.89 1.96 2nzvG1 ILE 85 HG12 -0.10 -0.08 -0.02 -0.04 1.49 1.25 2nzvG1 ILE 85 HG13 -0.03 0.01 0.01 -0.04 1.21 1.16 2nzvG1 ILE 85 HG23 -0.34 -0.01 -0.22 -0.04 0.93 0.33 2nzvG1 ILE 85 HD13 -0.01 0.01 -0.11 -0.04 0.88 0.73 2nzvG1 ALA 86 H -0.06 0.70 0.12 -0.55 8.40 8.61 2nzvG1 ALA 86 HA -0.04 0.00 0.26 -0.75 4.34 3.80 2nzvG1 ALA 86 HB3 0.00 -0.01 -0.08 -0.04 1.41 1.28 2nzvG1 THR 87 H 0.05 0.50 -0.56 -0.55 8.28 7.72 2nzvG1 THR 87 HA 0.09 0.06 0.49 -0.75 4.39 4.27 2nzvG1 THR 87 HB 0.06 0.16 0.09 -0.04 4.32 4.59 2nzvG1 THR 87 HG23 0.06 -0.02 -0.12 -0.04 1.22 1.09 2nzvG1 MET 88 H 0.12 0.47 0.08 -0.55 8.47 8.59 2nzvG1 MET 88 HA 0.12 -0.04 0.35 -0.75 4.52 4.19 2nzvG1 MET 88 HB2 0.15 0.04 0.25 -0.04 2.15 2.55 2nzvG1 MET 88 HB3 0.32 0.12 0.18 -0.04 2.03 2.61 2nzvG1 MET 88 HG2 0.22 0.03 -0.02 -0.04 2.63 2.81 2nzvG1 MET 88 HG3 0.12 -0.05 0.10 -0.04 2.56 2.70 2nzvG1 MET 88 HE3 0.09 -0.01 0.01 -0.04 2.10 2.14 2nzvG1 TYR 89 H 0.35 0.27 -0.91 -0.55 8.29 7.44 2nzvG1 TYR 89 HA 0.09 0.13 0.82 -0.75 4.56 4.84 2nzvG1 TYR 89 HB2 0.12 0.02 -0.04 -0.04 3.06 3.11 2nzvG1 TYR 89 HB3 0.24 -0.01 0.10 -0.04 2.98 3.27 2nzvG1 TYR 89 HD2 0.04 -0.09 -0.35 -0.04 7.15 6.72 2nzvG1 TYR 89 HE2 0.02 -0.04 -0.08 -0.04 6.85 6.71 2nzvG1 LYS 90 H 0.15 0.70 -0.05 -0.55 8.42 8.67 2nzvG1 LYS 90 HA 0.08 -0.00 0.43 -0.75 4.32 4.08 2nzvG1 LYS 90 HB2 -0.01 -0.05 0.17 -0.04 1.87 1.93 2nzvG1 LYS 90 HB3 0.02 -0.04 0.07 -0.04 1.79 1.80 2nzvG1 LYS 90 HG2 0.01 -0.05 -0.25 -0.04 1.46 1.13 2nzvG1 LYS 90 HG3 0.01 0.33 -0.33 -0.04 1.46 1.44 2nzvG1 LYS 90 HD2 -0.03 -0.05 0.01 -0.04 1.69 1.58 2nzvG1 LYS 90 HD3 -0.04 -0.04 -0.02 -0.04 1.68 1.55 2nzvG1 LYS 90 HE2 -0.18 0.06 0.12 -0.04 2.99 2.95 2nzvG1 LYS 90 HE3 -0.11 0.00 0.14 -0.04 2.99 2.98 2nzvG1 TYR 91 H 0.22 0.67 0.13 -0.55 8.29 8.76 2nzvG1 TYR 91 HA 0.03 0.24 0.93 -0.75 4.56 5.00 2nzvG1 TYR 91 HB2 0.04 0.02 0.03 -0.04 3.06 3.10 2nzvG1 TYR 91 HB3 0.02 -0.11 -0.10 -0.04 2.98 2.75 2nzvG1 TYR 91 HD2 0.07 0.08 -0.23 -0.04 7.15 7.03 2nzvG1 TYR 91 HE2 0.08 -0.05 -0.05 -0.04 6.85 6.79 2nzvG1 ASN 92 H 0.06 1.04 0.56 -0.55 8.53 9.64 2nzvG1 ASN 92 HA 0.05 0.03 0.66 -0.75 4.76 4.74 2nzvG1 ASN 92 HB2 0.03 0.04 0.12 -0.04 2.88 3.02 2nzvG1 ASN 92 HB3 0.02 -0.00 0.05 -0.04 2.79 2.82 2nzvG1 ASN 92 HD21 -0.00 -0.04 -0.00 -0.04 7.03 6.94 2nzvG1 ASN 92 HD22 0.00 0.05 -0.01 -0.04 7.74 7.74 2nzvG1 ILE 93 H 0.03 0.12 0.19 -0.55 8.25 8.04 2nzvG1 ILE 93 HA 0.03 0.57 1.01 -0.75 4.18 5.04 2nzvG1 ILE 93 HB 0.00 -0.09 -0.06 -0.04 1.89 1.71 2nzvG1 ILE 93 HG12 0.00 -0.04 -0.03 -0.04 1.49 1.38 2nzvG1 ILE 93 HG13 0.02 0.01 0.11 -0.04 1.21 1.30 2nzvG1 ILE 93 HG23 0.01 0.02 -0.24 -0.04 0.93 0.68 2nzvG1 ILE 93 HD13 -0.00 -0.03 -0.22 -0.04 0.88 0.59 2nzvG1 ILE 94 H 0.01 0.36 0.13 -0.55 8.25 8.19 2nzvG1 ILE 94 HA 0.00 0.12 0.85 -0.75 4.18 4.41 2nzvG1 ILE 94 HB 0.01 0.01 0.06 -0.04 1.89 1.93 2nzvG1 ILE 94 HG12 0.01 0.02 -0.08 -0.04 1.49 1.39 2nzvG1 ILE 94 HG13 0.02 -0.05 -0.64 -0.04 1.21 0.50 2nzvG1 ILE 94 HG23 -0.00 -0.00 -0.07 -0.04 0.93 0.82 2nzvG1 ILE 94 HD13 0.01 0.03 -0.11 -0.04 0.88 0.76 2nzvG1 LEU 95 H -0.01 0.14 0.01 -0.55 8.37 7.97 2nzvG1 LEU 95 HA -0.03 0.26 0.76 -0.75 4.35 4.60 2nzvG1 LEU 95 HB2 -0.02 -0.01 0.02 -0.04 1.64 1.59 2nzvG1 LEU 95 HB3 -0.01 0.02 0.07 -0.04 1.64 1.68 2nzvG1 LEU 95 HG -0.03 -0.02 -0.31 -0.04 1.64 1.24 2nzvG1 LEU 95 HD13 -0.06 -0.05 -0.05 -0.04 0.93 0.73 2nzvG1 LEU 95 HD23 -0.02 -0.02 -0.07 -0.04 0.89 0.74 2nzvG1 SER 96 H -0.05 0.31 0.30 -0.55 8.46 8.48 2nzvG1 SER 96 HA -0.03 0.03 0.68 -0.75 4.49 4.42 2nzvG1 SER 96 HB2 -0.02 0.13 -0.30 -0.04 3.95 3.72 2nzvG1 SER 96 HB3 -0.03 -0.01 0.06 -0.04 3.93 3.90 2nzvG1 ASN 97 H -0.03 0.13 0.17 -0.55 8.53 8.25 2nzvG1 ASN 97 HA -0.11 0.36 0.75 -0.75 4.76 5.01 2nzvG1 ASN 97 HB2 -0.03 0.04 0.10 -0.04 2.88 2.95 2nzvG1 ASN 97 HB3 -0.06 0.21 0.18 -0.04 2.79 3.08 2nzvG1 ASN 97 HD21 -0.02 0.02 -0.04 -0.04 7.03 6.94 2nzvG1 ASN 97 HD22 -0.02 0.11 0.05 -0.04 7.74 7.83 2nzvG1 SER 98 H -0.11 0.11 0.56 -0.55 8.46 8.47 2nzvG1 SER 98 HA -0.03 0.29 0.90 -0.75 4.49 4.90 2nzvG1 SER 98 HB2 -0.02 -0.03 -0.03 -0.04 3.95 3.82 2nzvG1 SER 98 HB3 -0.10 0.18 -0.16 -0.04 3.93 3.81 2nzvG1 ASP 99 H -0.06 0.58 0.42 -0.55 8.40 8.79 2nzvG1 ASP 99 HA -0.02 -0.02 0.31 -0.75 4.63 4.16 2nzvG1 ASP 99 HB2 -0.01 0.05 -0.40 -0.04 2.71 2.31 2nzvG1 ASP 99 HB3 0.00 0.03 0.22 -0.04 2.70 2.91 2nzvG1 GLN 100 H -0.05 -0.02 -0.23 -0.55 8.47 7.63 2nzvG1 GLN 100 HA 0.00 -0.03 0.25 -0.75 4.36 3.83 2nzvG1 GLN 100 HB2 0.03 0.18 -0.17 -0.04 2.15 2.14 2nzvG1 GLN 100 HB3 0.04 -0.01 0.23 -0.04 2.02 2.24 2nzvG1 GLN 100 HG2 0.02 -0.08 -0.01 -0.04 2.40 2.29 2nzvG1 GLN 100 HG3 0.08 0.02 -0.02 -0.04 2.39 2.44 2nzvG1 GLN 100 HE21 0.05 -0.37 0.19 -0.04 6.97 6.81 2nzvG1 GLN 100 HE22 0.06 0.14 0.07 -0.04 7.69 7.92 2nzvG1 ASN 101 H 0.01 0.29 -0.27 -0.55 8.53 8.02 2nzvG1 ASN 101 HA 0.03 0.17 0.93 -0.75 4.76 5.14 2nzvG1 ASN 101 HB2 0.01 0.18 0.05 -0.04 2.88 3.09 2nzvG1 ASN 101 HB3 0.02 0.09 0.24 -0.04 2.79 3.10 2nzvG1 ASN 101 HD21 0.01 0.03 0.05 -0.04 7.03 7.08 2nzvG1 ASN 101 HD22 0.01 0.11 0.07 -0.04 7.74 7.89 2nzvG1 GLN 102 H 0.07 0.28 0.09 -0.55 8.47 8.37 2nzvG1 GLN 102 HA 0.22 0.04 0.29 -0.75 4.36 4.15 2nzvG1 GLN 102 HB2 0.11 0.04 0.15 -0.04 2.15 2.42 2nzvG1 GLN 102 HB3 0.09 0.04 0.07 -0.04 2.02 2.18 2nzvG1 GLN 102 HG2 0.17 0.04 -0.02 -0.04 2.40 2.54 2nzvG1 GLN 102 HG3 0.57 -0.03 0.11 -0.04 2.39 3.00 2nzvG1 GLN 102 HE21 0.10 0.02 0.03 -0.04 6.97 7.07 2nzvG1 GLN 102 HE22 0.12 0.02 0.00 -0.04 7.69 7.79 2nzvG1 ASP 103 H 0.05 0.05 -0.36 -0.55 8.40 7.59 2nzvG1 ASP 103 HA 0.02 0.13 0.56 -0.75 4.63 4.60 2nzvG1 ASP 103 HB2 0.01 -0.05 0.12 -0.04 2.71 2.75 2nzvG1 ASP 103 HB3 -0.00 0.09 0.03 -0.04 2.70 2.77 2nzvG1 LYS 104 H 0.03 0.08 0.04 -0.55 8.42 8.02 2nzvG1 LYS 104 HA 0.07 0.06 0.40 -0.75 4.32 4.09 2nzvG1 LYS 104 HB2 0.02 -0.06 0.22 -0.04 1.87 2.01 2nzvG1 LYS 104 HB3 0.02 0.04 0.06 -0.04 1.79 1.88 2nzvG1 LYS 104 HG2 0.04 0.03 0.10 -0.04 1.46 1.60 2nzvG1 LYS 104 HG3 0.01 -0.01 0.08 -0.04 1.46 1.50 2nzvG1 LYS 104 HD2 0.01 -0.01 0.03 -0.04 1.69 1.67 2nzvG1 LYS 104 HD3 0.01 0.02 0.01 -0.04 1.68 1.68 2nzvG1 LYS 104 HE2 0.00 -0.01 0.01 -0.04 2.99 2.96 2nzvG1 LYS 104 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.92 2nzvG1 GLU 105 H 0.07 0.55 -0.34 -0.55 8.60 8.33 2nzvG1 GLU 105 HA 0.06 0.05 0.35 -0.75 4.29 4.00 2nzvG1 GLU 105 HB2 0.20 0.09 0.01 -0.04 2.09 2.35 2nzvG1 GLU 105 HB3 0.33 0.02 -0.12 -0.04 1.99 2.19 2nzvG1 GLU 105 HG2 0.01 -0.01 -0.09 -0.04 2.34 2.20 2nzvG1 GLU 105 HG3 0.09 0.08 -0.37 -0.04 2.34 2.10 2nzvG1 LEU 106 H 0.03 0.38 -0.08 -0.55 8.37 8.15 2nzvG1 LEU 106 HA -0.04 0.05 0.42 -0.75 4.35 4.03 2nzvG1 LEU 106 HB2 -0.02 0.11 0.26 -0.04 1.64 1.96 2nzvG1 LEU 106 HB3 -0.02 0.02 -0.01 -0.04 1.64 1.58 2nzvG1 LEU 106 HG -0.12 -0.03 0.03 -0.04 1.64 1.48 2nzvG1 LEU 106 HD13 -0.17 0.00 -0.02 -0.04 0.93 0.70 2nzvG1 LEU 106 HD23 -0.55 0.06 0.06 -0.04 0.89 0.43 2nzvG1 HIS 107 H 0.13 0.58 -0.08 -0.55 8.41 8.49 2nzvG1 HIS 107 HA -0.01 0.04 0.38 -0.75 4.63 4.29 2nzvG1 HIS 107 HB2 -0.00 0.02 0.07 -0.04 3.26 3.31 2nzvG1 HIS 107 HB3 0.00 0.04 0.12 -0.04 3.20 3.32 2nzvG1 HIS 107 HD2 -0.00 0.01 -0.08 -0.04 6.97 6.86 2nzvG1 HIS 107 HE1 -0.00 0.03 -0.00 -0.04 7.75 7.73 2nzvG1 LEU 108 H 0.08 0.75 -0.07 -0.55 8.37 8.59 2nzvG1 LEU 108 HA -0.04 -0.03 0.38 -0.75 4.35 3.92 2nzvG1 LEU 108 HB2 0.03 0.11 0.15 -0.04 1.64 1.89 2nzvG1 LEU 108 HB3 0.00 -0.03 -0.05 -0.04 1.64 1.52 2nzvG1 LEU 108 HG 0.05 0.04 0.12 -0.04 1.64 1.82 2nzvG1 LEU 108 HD13 -0.02 0.01 -0.16 -0.04 0.93 0.72 2nzvG1 LEU 108 HD23 0.01 -0.02 0.02 -0.04 0.89 0.85 2nzvG1 LEU 109 H 0.03 0.36 -0.51 -0.55 8.37 7.70 2nzvG1 LEU 109 HA 0.03 0.02 0.37 -0.75 4.35 4.02 2nzvG1 LEU 109 HB2 0.09 0.04 0.10 -0.04 1.64 1.84 2nzvG1 LEU 109 HB3 -0.00 0.12 0.04 -0.04 1.64 1.76 2nzvG1 LEU 109 HG 0.07 -0.02 -0.01 -0.04 1.64 1.63 2nzvG1 LEU 109 HD13 -0.03 -0.03 -0.10 -0.04 0.93 0.73 2nzvG1 LEU 109 HD23 -0.02 0.01 -0.09 -0.04 0.89 0.74 2nzvG1 ASN 110 H -0.08 0.39 -0.17 -0.55 8.53 8.12 2nzvG1 ASN 110 HA -0.05 0.09 0.51 -0.75 4.76 4.55 2nzvG1 ASN 110 HB2 -0.22 0.14 0.27 -0.04 2.88 3.03 2nzvG1 ASN 110 HB3 -0.11 -0.03 0.00 -0.04 2.79 2.61 2nzvG1 ASN 110 HD21 0.00 -0.06 -0.06 -0.04 7.03 6.87 2nzvG1 ASN 110 HD22 -0.00 -0.06 -0.01 -0.04 7.74 7.63 2nzvG1 ASN 111 H -0.23 0.43 0.05 -0.55 8.53 8.24 2nzvG1 ASN 111 HA -0.10 -0.00 0.33 -0.75 4.76 4.23 2nzvG1 ASN 111 HB2 -0.10 0.08 0.11 -0.04 2.88 2.92 2nzvG1 ASN 111 HB3 -0.07 -0.00 -0.01 -0.04 2.79 2.67 2nzvG1 ASN 111 HD21 -0.01 -0.05 -0.02 -0.04 7.03 6.90 2nzvG1 ASN 111 HD22 -0.03 0.01 -0.01 -0.04 7.74 7.67 2nzvG1 MET 112 H -0.05 0.47 -0.32 -0.55 8.47 8.03 2nzvG1 MET 112 HA -0.02 0.03 0.34 -0.75 4.52 4.12 2nzvG1 MET 112 HB2 -0.01 0.23 0.10 -0.04 2.15 2.43 2nzvG1 MET 112 HB3 0.00 0.04 -0.10 -0.04 2.03 1.93 2nzvG1 MET 112 HG2 0.00 0.02 -0.02 -0.04 2.63 2.59 2nzvG1 MET 112 HG3 -0.01 -0.04 -0.03 -0.04 2.56 2.44 2nzvG1 MET 112 HE3 -0.01 0.01 -0.10 -0.04 2.10 1.96 2nzvG1 LEU 113 H -0.02 0.42 -0.19 -0.55 8.37 8.03 2nzvG1 LEU 113 HA -0.01 0.02 0.40 -0.75 4.35 4.00 2nzvG1 LEU 113 HB2 -0.02 0.13 0.30 -0.04 1.64 2.00 2nzvG1 LEU 113 HB3 -0.02 -0.05 0.00 -0.04 1.64 1.53 2nzvG1 LEU 113 HG -0.01 0.01 0.08 -0.04 1.64 1.68 2nzvG1 LEU 113 HD13 -0.02 -0.03 0.00 -0.04 0.93 0.84 2nzvG1 LEU 113 HD23 -0.01 -0.00 0.04 -0.04 0.89 0.87 2nzvG1 GLY 114 H -0.03 0.76 -0.10 -0.55 8.43 8.52 2nzvG1 GLY 114 HA2 -0.01 -0.02 0.36 -0.51 4.01 3.83 2nzvG1 GLY 114 HA3 -0.02 -0.03 0.28 -0.51 4.01 3.73 2nzvG1 LYS 115 H -0.02 0.51 -0.16 -0.55 8.42 8.20 2nzvG1 LYS 115 HA -0.01 -0.03 0.34 -0.75 4.32 3.88 2nzvG1 LYS 115 HB2 -0.01 0.01 0.12 -0.04 1.87 1.94 2nzvG1 LYS 115 HB3 -0.00 0.05 0.05 -0.04 1.79 1.85 2nzvG1 LYS 115 HG2 -0.00 -0.09 0.04 -0.04 1.46 1.36 2nzvG1 LYS 115 HG3 -0.00 0.06 0.14 -0.04 1.46 1.61 2nzvG1 LYS 115 HD2 -0.00 -0.05 0.02 -0.04 1.69 1.61 2nzvG1 LYS 115 HD3 -0.00 0.06 0.02 -0.04 1.68 1.72 2nzvG1 LYS 115 HE2 -0.00 -0.05 -0.02 -0.04 2.99 2.88 2nzvG1 LYS 115 HE3 -0.01 0.05 0.00 -0.04 2.99 2.99 2nzvG1 GLN 116 H -0.00 0.44 -1.15 -0.55 8.47 7.22 2nzvG1 GLN 116 HA 0.01 0.04 0.38 -0.75 4.36 4.03 2nzvG1 GLN 116 HB2 0.00 -0.00 -0.11 -0.04 2.15 1.99 2nzvG1 GLN 116 HB3 0.01 -0.04 0.01 -0.04 2.02 1.95 2nzvG1 GLN 116 HG2 0.00 -0.00 0.08 -0.04 2.40 2.44 2nzvG1 GLN 116 HG3 0.00 0.11 0.08 -0.04 2.39 2.54 2nzvG1 GLN 116 HE21 0.00 -0.06 0.02 -0.04 6.97 6.89 2nzvG1 GLN 116 HE22 -0.00 -0.01 0.02 -0.04 7.69 7.66 2nzvG1 VAL 117 H 0.01 0.24 0.08 -0.55 8.24 8.02 2nzvG1 VAL 117 HA 0.03 0.19 1.03 -0.75 4.13 4.63 2nzvG1 VAL 117 HB 0.03 -0.10 0.16 -0.04 2.12 2.17 2nzvG1 VAL 117 HG13 0.02 0.03 -0.22 -0.04 0.97 0.76 2nzvG1 VAL 117 HG23 0.01 0.01 -0.07 -0.04 0.95 0.86 2nzvG1 ASP 118 H 0.08 0.06 0.11 -0.55 8.40 8.11 2nzvG1 ASP 118 HA 0.07 0.08 0.38 -0.75 4.63 4.41 2nzvG1 ASP 118 HB2 0.26 -0.05 -0.02 -0.04 2.71 2.86 2nzvG1 ASP 118 HB3 0.22 0.09 0.02 -0.04 2.70 2.99 2nzvG1 GLY 119 H 0.05 0.05 -0.24 -0.55 8.43 7.75 2nzvG1 GLY 119 HA2 0.00 0.33 0.61 -0.51 4.01 4.43 2nzvG1 GLY 119 HA3 -0.01 -0.06 0.23 -0.51 4.01 3.65 2nzvG1 ILE 120 H -0.02 0.49 0.24 -0.55 8.25 8.41 2nzvG1 ILE 120 HA 0.01 0.26 0.95 -0.75 4.18 4.65 2nzvG1 ILE 120 HB 0.01 0.00 0.06 -0.04 1.89 1.92 2nzvG1 ILE 120 HG12 0.02 -0.00 -0.10 -0.04 1.49 1.36 2nzvG1 ILE 120 HG13 0.01 0.03 -0.62 -0.04 1.21 0.58 2nzvG1 ILE 120 HG23 0.09 -0.04 -0.23 -0.04 0.93 0.70 2nzvG1 ILE 120 HD13 0.01 -0.01 -0.09 -0.04 0.88 0.75 2nzvG1 ILE 121 H 0.02 0.62 0.42 -0.55 8.25 8.76 2nzvG1 ILE 121 HA 0.02 0.32 0.93 -0.75 4.18 4.69 2nzvG1 ILE 121 HB -0.01 -0.09 0.12 -0.04 1.89 1.87 2nzvG1 ILE 121 HG12 -0.04 0.02 -0.24 -0.04 1.49 1.19 2nzvG1 ILE 121 HG13 -0.05 -0.08 -0.13 -0.04 1.21 0.91 2nzvG1 ILE 121 HG23 -0.00 -0.02 -0.11 -0.04 0.93 0.77 2nzvG1 ILE 121 HD13 -0.04 0.02 -0.16 -0.04 0.88 0.66 2nzvG1 PHE 122 H 0.14 0.42 0.30 -0.55 8.34 8.65 2nzvG1 PHE 122 HA -0.01 0.15 0.91 -0.75 4.62 4.92 2nzvG1 PHE 122 HB2 -0.00 0.12 -0.31 -0.04 3.15 2.92 2nzvG1 PHE 122 HB3 0.01 -0.01 -0.07 -0.04 3.06 2.94 2nzvG1 PHE 122 HD2 0.02 0.01 -0.32 -0.04 7.28 6.96 2nzvG1 PHE 122 HE2 0.05 -0.05 -0.23 -0.04 7.38 7.11 2nzvG1 PHE 122 HZ 0.28 -0.11 -0.15 -0.04 7.32 7.31 2nzvG1 MET 123 H -0.54 0.56 0.27 -0.55 8.47 8.21 2nzvG1 MET 123 HA 0.09 0.18 0.93 -0.75 4.52 4.98 2nzvG1 MET 123 HB2 -0.18 -0.06 0.19 -0.04 2.15 2.06 2nzvG1 MET 123 HB3 0.11 -0.05 0.03 -0.04 2.03 2.08 2nzvG1 MET 123 HG2 0.11 0.31 -0.00 -0.04 2.63 3.00 2nzvG1 MET 123 HG3 0.02 -0.06 -0.54 -0.04 2.56 1.94 2nzvG1 MET 123 HE3 0.21 -0.01 -0.07 -0.04 2.10 2.19 2nzvG1 SER 124 H 0.12 0.39 0.15 -0.55 8.46 8.58 2nzvG1 SER 124 HA -0.04 0.04 0.54 -0.75 4.49 4.28 2nzvG1 SER 124 HB2 0.02 0.18 -0.21 -0.04 3.95 3.90 2nzvG1 SER 124 HB3 0.30 0.03 -0.27 -0.04 3.93 3.94 2nzvG1 GLY 125 H 0.06 0.14 0.15 -0.55 8.43 8.24 2nzvG1 GLY 125 HA2 0.05 0.17 0.65 -0.51 4.01 4.36 2nzvG1 GLY 125 HA3 0.06 0.01 0.37 -0.51 4.01 3.93 2nzvG1 ASN 126 H 0.04 0.02 -0.20 -0.55 8.53 7.84 2nzvG1 ASN 126 HA 0.03 0.16 0.75 -0.75 4.76 4.95 2nzvG1 ASN 126 HB2 0.03 0.07 -0.09 -0.04 2.88 2.86 2nzvG1 ASN 126 HB3 0.01 -0.08 0.05 -0.04 2.79 2.73 2nzvG1 ASN 126 HD21 -0.01 -0.02 -0.10 -0.04 7.03 6.86 2nzvG1 ASN 126 HD22 -0.01 -0.06 -0.02 -0.04 7.74 7.60 2nzvG1 VAL 127 H -0.00 0.31 0.04 -0.55 8.24 8.04 2nzvG1 VAL 127 HA -0.28 0.04 0.54 -0.75 4.13 3.68 2nzvG1 VAL 127 HB -0.01 0.10 0.09 -0.04 2.12 2.26 2nzvG1 VAL 127 HG13 -0.07 0.03 -0.22 -0.04 0.97 0.67 2nzvG1 VAL 127 HG23 0.07 -0.00 -0.22 -0.04 0.95 0.76 2nzvG1 THR 128 H -0.88 0.14 0.17 -0.55 8.28 7.16 2nzvG1 THR 128 HA -0.03 0.17 0.45 -0.75 4.39 4.22 2nzvG1 THR 128 HB 0.44 -0.25 0.10 -0.04 4.32 4.56 2nzvG1 THR 128 HG23 0.08 0.01 0.12 -0.04 1.22 1.39 2nzvG1 GLU 129 H 0.04 0.21 0.19 -0.55 8.60 8.49 2nzvG1 GLU 129 HA 0.02 0.11 0.38 -0.75 4.29 4.05 2nzvG1 GLU 129 HB2 0.03 -0.00 0.07 -0.04 2.09 2.15 2nzvG1 GLU 129 HB3 0.02 0.09 0.08 -0.04 1.99 2.15 2nzvG1 GLU 129 HG2 0.02 0.08 0.06 -0.04 2.34 2.47 2nzvG1 GLU 129 HG3 0.02 0.03 0.09 -0.04 2.34 2.44 2nzvG1 GLU 130 H 0.09 -0.01 -0.31 -0.55 8.60 7.82 2nzvG1 GLU 130 HA 0.03 0.18 0.48 -0.75 4.29 4.22 2nzvG1 GLU 130 HB2 0.04 0.06 0.05 -0.04 2.09 2.20 2nzvG1 GLU 130 HB3 0.11 -0.09 0.05 -0.04 1.99 2.02 2nzvG1 GLU 130 HG2 -0.03 -0.00 -0.35 -0.04 2.34 1.92 2nzvG1 GLU 130 HG3 -0.00 0.06 0.00 -0.04 2.34 2.36 2nzvG1 HIS 131 H 0.32 -0.00 -0.18 -0.55 8.41 8.01 2nzvG1 HIS 131 HA -0.05 0.06 0.33 -0.75 4.63 4.21 2nzvG1 HIS 131 HB2 -0.05 0.21 0.05 -0.04 3.26 3.43 2nzvG1 HIS 131 HB3 -0.20 0.09 -0.09 -0.04 3.20 2.96 2nzvG1 HIS 131 HD2 0.11 0.09 -0.06 -0.04 6.97 7.06 2nzvG1 HIS 131 HE1 0.07 -0.01 0.10 -0.04 7.75 7.86 2nzvG1 VAL 132 H 0.05 0.26 -0.62 -0.55 8.24 7.38 2nzvG1 VAL 132 HA -0.04 0.07 0.24 -0.75 4.13 3.65 2nzvG1 VAL 132 HB -0.00 0.13 -0.06 -0.04 2.12 2.15 2nzvG1 VAL 132 HG13 -0.02 -0.00 -0.07 -0.04 0.97 0.84 2nzvG1 VAL 132 HG23 0.00 -0.01 -0.07 -0.04 0.95 0.83 2nzvG1 GLU 133 H 0.00 0.21 -0.20 -0.55 8.60 8.06 2nzvG1 GLU 133 HA -0.01 0.07 0.43 -0.75 4.29 4.03 2nzvG1 GLU 133 HB2 -0.00 -0.03 0.14 -0.04 2.09 2.16 2nzvG1 GLU 133 HB3 -0.01 0.07 0.25 -0.04 1.99 2.26 2nzvG1 GLU 133 HG2 -0.02 0.03 -0.30 -0.04 2.34 2.01 2nzvG1 GLU 133 HG3 -0.01 0.02 0.00 -0.04 2.34 2.31 2nzvG1 GLU 134 H -0.04 0.37 -0.04 -0.55 8.60 8.35 2nzvG1 GLU 134 HA -0.04 0.06 0.34 -0.75 4.29 3.91 2nzvG1 GLU 134 HB2 -0.08 -0.06 0.07 -0.04 2.09 1.98 2nzvG1 GLU 134 HB3 -0.08 0.05 -0.11 -0.04 1.99 1.81 2nzvG1 GLU 134 HG2 -0.05 -0.01 -0.03 -0.04 2.34 2.21 2nzvG1 GLU 134 HG3 -0.04 0.07 0.02 -0.04 2.34 2.35 2nzvG1 LEU 135 H -0.07 0.66 -0.21 -0.55 8.37 8.20 2nzvG1 LEU 135 HA -0.08 0.12 0.53 -0.75 4.35 4.16 2nzvG1 LEU 135 HB2 -0.14 0.18 0.03 -0.04 1.64 1.66 2nzvG1 LEU 135 HB3 -0.13 -0.01 -0.00 -0.04 1.64 1.46 2nzvG1 LEU 135 HG -0.23 -0.07 -0.08 -0.04 1.64 1.21 2nzvG1 LEU 135 HD13 -0.44 -0.04 -0.14 -0.04 0.93 0.27 2nzvG1 LEU 135 HD23 -0.09 0.03 -0.02 -0.04 0.89 0.77 2nzvG1 LYS 136 H -0.05 0.28 -0.61 -0.55 8.42 7.49 2nzvG1 LYS 136 HA -0.04 0.13 0.75 -0.75 4.32 4.39 2nzvG1 LYS 136 HB2 -0.03 0.27 0.26 -0.04 1.87 2.33 2nzvG1 LYS 136 HB3 -0.02 -0.06 -0.00 -0.04 1.79 1.66 2nzvG1 LYS 136 HG2 -0.02 0.01 0.04 -0.04 1.46 1.44 2nzvG1 LYS 136 HG3 -0.03 -0.06 -0.06 -0.04 1.46 1.27 2nzvG1 LYS 136 HD2 -0.02 -0.02 -0.11 -0.04 1.69 1.50 2nzvG1 LYS 136 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.59 2nzvG1 LYS 136 HE2 -0.01 0.05 -0.01 -0.04 2.99 2.98 2nzvG1 LYS 136 HE3 -0.02 -0.09 -0.05 -0.04 2.99 2.80 2nzvG1 LYS 137 H -0.03 0.20 -0.01 -0.55 8.42 8.02 2nzvG1 LYS 137 HA -0.02 0.07 0.45 -0.75 4.32 4.06 2nzvG1 LYS 137 HB2 -0.03 0.03 0.14 -0.04 1.87 1.97 2nzvG1 LYS 137 HB3 -0.02 -0.03 0.14 -0.04 1.79 1.84 2nzvG1 LYS 137 HG2 -0.01 -0.08 0.02 -0.04 1.46 1.34 2nzvG1 LYS 137 HG3 -0.01 0.02 0.04 -0.04 1.46 1.46 2nzvG1 LYS 137 HD2 -0.02 0.13 -0.07 -0.04 1.69 1.70 2nzvG1 LYS 137 HD3 -0.01 -0.11 -0.03 -0.04 1.68 1.48 2nzvG1 LYS 137 HE2 -0.01 0.00 -0.09 -0.04 2.99 2.85 2nzvG1 LYS 137 HE3 -0.02 -0.17 -0.17 -0.04 2.99 2.59 2nzvG1 SER 138 H -0.04 -0.00 -1.11 -0.55 8.46 6.77 2nzvG1 SER 138 HA -0.03 0.05 0.45 -0.75 4.49 4.22 2nzvG1 SER 138 HB2 -0.04 -0.09 -0.00 -0.04 3.95 3.78 2nzvG1 SER 138 HB3 -0.05 0.10 -0.08 -0.04 3.93 3.86 2nzvG1 PRO 139 HA -0.01 0.14 0.69 -0.51 4.44 4.76 2nzvG1 PRO 139 HB2 -0.00 0.04 -0.01 -0.04 2.28 2.27 2nzvG1 PRO 139 HB3 -0.00 -0.02 0.10 -0.04 2.02 2.06 2nzvG1 PRO 139 HG2 -0.01 0.01 0.03 -0.04 2.03 2.02 2nzvG1 PRO 139 HG3 -0.01 0.09 -0.04 -0.04 2.03 2.03 2nzvG1 PRO 139 HD2 -0.01 0.11 0.18 -0.04 3.68 3.92 2nzvG1 PRO 139 HD3 -0.02 0.10 0.24 -0.04 3.65 3.93 2nzvG1 VAL 140 H -0.02 0.12 -0.05 -0.55 8.24 7.74 2nzvG1 VAL 140 HA 0.00 0.20 0.85 -0.75 4.13 4.43 2nzvG1 VAL 140 HB 0.01 0.35 0.06 -0.04 2.12 2.50 2nzvG1 VAL 140 HG13 0.01 -0.01 -0.24 -0.04 0.97 0.69 2nzvG1 VAL 140 HG23 -0.00 0.00 -0.14 -0.04 0.95 0.77 2nzvG1 PRO 141 HA -0.17 -0.01 0.41 -0.51 4.44 4.17 2nzvG1 PRO 141 HB2 -0.03 -0.06 0.07 -0.04 2.28 2.22 2nzvG1 PRO 141 HB3 -0.12 -0.04 0.04 -0.04 2.02 1.86 2nzvG1 PRO 141 HG2 0.06 0.07 -0.06 -0.04 2.03 2.05 2nzvG1 PRO 141 HG3 0.04 0.05 0.06 -0.04 2.03 2.13 2nzvG1 PRO 141 HD2 0.02 0.45 0.37 -0.04 3.68 4.47 2nzvG1 PRO 141 HD3 0.02 0.15 0.28 -0.04 3.65 4.05 2nzvG1 VAL 142 H -0.21 0.25 0.25 -0.55 8.24 7.98 2nzvG1 VAL 142 HA -0.06 0.28 0.99 -0.75 4.13 4.59 2nzvG1 VAL 142 HB -0.10 0.01 0.13 -0.04 2.12 2.11 2nzvG1 VAL 142 HG13 -0.06 -0.05 -0.20 -0.04 0.97 0.62 2nzvG1 VAL 142 HG23 -0.05 0.08 -0.12 -0.04 0.95 0.82 2nzvG1 VAL 143 H -0.03 0.53 0.31 -0.55 8.24 8.50 2nzvG1 VAL 143 HA -0.06 0.23 0.76 -0.75 4.13 4.30 2nzvG1 VAL 143 HB -0.06 0.02 0.01 -0.04 2.12 2.05 2nzvG1 VAL 143 HG13 -0.05 -0.00 -0.03 -0.04 0.97 0.85 2nzvG1 VAL 143 HG23 -0.01 -0.04 -0.15 -0.04 0.95 0.71 2nzvG1 LEU 144 H 0.00 0.55 0.09 -0.55 8.37 8.46 2nzvG1 LEU 144 HA 0.13 0.15 0.86 -0.75 4.35 4.74 2nzvG1 LEU 144 HB2 0.04 0.03 0.22 -0.04 1.64 1.89 2nzvG1 LEU 144 HB3 0.12 -0.06 0.06 -0.04 1.64 1.71 2nzvG1 LEU 144 HG -0.02 0.18 -0.04 -0.04 1.64 1.72 2nzvG1 LEU 144 HD13 0.00 -0.04 -0.16 -0.04 0.93 0.69 2nzvG1 LEU 144 HD23 0.04 -0.02 -0.18 -0.04 0.89 0.69 2nzvG1 ALA 145 H 0.12 0.58 0.35 -0.55 8.40 8.90 2nzvG1 ALA 145 HA 0.05 0.31 1.05 -0.75 4.34 5.00 2nzvG1 ALA 145 HB3 0.03 -0.00 -0.05 -0.04 1.41 1.35 2nzvG1 ALA 146 H 0.09 0.57 0.30 -0.55 8.40 8.81 2nzvG1 ALA 146 HA 0.24 -0.03 0.37 -0.75 4.34 4.17 2nzvG1 ALA 146 HB3 0.27 0.00 0.02 -0.04 1.41 1.66 2nzvG1 SER 147 H 0.14 0.26 -0.49 -0.55 8.46 7.83 2nzvG1 SER 147 HA 0.15 0.09 0.68 -0.75 4.49 4.66 2nzvG1 SER 147 HB2 0.19 0.05 0.00 -0.04 3.95 4.15 2nzvG1 SER 147 HB3 0.17 -0.00 0.06 -0.04 3.93 4.12 2nzvG1 ILE 148 H 0.11 0.14 0.10 -0.55 8.25 8.04 2nzvG1 ILE 148 HA 0.06 0.35 1.06 -0.75 4.18 4.89 2nzvG1 ILE 148 HB 0.05 0.06 -0.07 -0.04 1.89 1.89 2nzvG1 ILE 148 HG12 0.11 -0.09 -0.05 -0.04 1.49 1.42 2nzvG1 ILE 148 HG13 0.06 -0.01 -0.32 -0.04 1.21 0.89 2nzvG1 ILE 148 HG23 0.14 0.01 -0.28 -0.04 0.93 0.76 2nzvG1 ILE 148 HD13 0.08 0.02 -0.25 -0.04 0.88 0.69 2nzvG1 GLU 149 H 0.02 0.34 0.07 -0.55 8.60 8.50 2nzvG1 GLU 149 HA 0.02 0.08 0.65 -0.75 4.29 4.29 2nzvG1 GLU 149 HB2 -0.00 0.05 0.02 -0.04 2.09 2.12 2nzvG1 GLU 149 HB3 -0.00 0.03 -0.21 -0.04 1.99 1.76 2nzvG1 GLU 149 HG2 -0.03 0.11 -0.05 -0.04 2.34 2.34 2nzvG1 GLU 149 HG3 -0.00 0.06 0.14 -0.04 2.34 2.50 2nzvG1 SER 150 H 0.02 0.16 0.07 -0.55 8.46 8.16 2nzvG1 SER 150 HA 0.01 0.08 0.28 -0.75 4.49 4.10 2nzvG1 SER 150 HB2 0.01 0.09 0.07 -0.04 3.95 4.08 2nzvG1 SER 150 HB3 0.02 0.01 0.11 -0.04 3.93 4.02 2nzvG1 THR 151 H 0.00 0.01 -0.38 -0.55 8.28 7.37 2nzvG1 THR 151 HA 0.00 0.30 1.00 -0.75 4.39 4.95 2nzvG1 THR 151 HB 0.00 0.09 0.05 -0.04 4.32 4.42 2nzvG1 THR 151 HG23 0.01 -0.01 -0.11 -0.04 1.22 1.06 2nzvG1 ASN 152 H -0.00 0.19 0.12 -0.55 8.53 8.30 2nzvG1 ASN 152 HA -0.00 0.09 0.32 -0.75 4.76 4.41 2nzvG1 ASN 152 HB2 0.00 0.28 0.06 -0.04 2.88 3.17 2nzvG1 ASN 152 HB3 0.01 -0.02 0.14 -0.04 2.79 2.88 2nzvG1 ASN 152 HD21 0.00 -0.05 -0.08 -0.04 7.03 6.86 2nzvG1 ASN 152 HD22 0.00 0.01 -0.03 -0.04 7.74 7.68 2nzvG1 GLN 153 H -0.01 -0.07 -0.17 -0.55 8.47 7.67 2nzvG1 GLN 153 HA -0.00 0.15 0.48 -0.75 4.36 4.23 2nzvG1 GLN 153 HB2 -0.02 -0.07 -0.02 -0.04 2.15 2.00 2nzvG1 GLN 153 HB3 -0.02 0.09 0.02 -0.04 2.02 2.07 2nzvG1 GLN 153 HG2 -0.01 -0.12 -0.16 -0.04 2.40 2.07 2nzvG1 GLN 153 HG3 -0.01 -0.02 -0.05 -0.04 2.39 2.27 2nzvG1 GLN 153 HE21 0.00 -0.01 -0.04 -0.04 6.97 6.89 2nzvG1 GLN 153 HE22 0.00 0.06 -0.23 -0.04 7.69 7.48 2nzvG1 ILE 154 H -0.03 -0.10 -0.12 -0.55 8.25 7.45 2nzvG1 ILE 154 HA -0.07 0.31 0.93 -0.75 4.18 4.59 2nzvG1 ILE 154 HB -0.07 0.12 -0.05 -0.04 1.89 1.85 2nzvG1 ILE 154 HG12 -0.08 -0.04 -0.08 -0.04 1.49 1.25 2nzvG1 ILE 154 HG13 -0.05 -0.09 -0.05 -0.04 1.21 0.97 2nzvG1 ILE 154 HG23 -0.09 0.01 -0.07 -0.04 0.93 0.75 2nzvG1 ILE 154 HD13 -0.03 -0.03 0.06 -0.04 0.88 0.84 2nzvG1 PRO 155 HA 0.01 0.11 0.36 -0.51 4.44 4.40 2nzvG1 PRO 155 HB2 -0.07 -0.08 0.18 -0.04 2.28 2.28 2nzvG1 PRO 155 HB3 0.05 0.07 0.28 -0.04 2.02 2.37 2nzvG1 PRO 155 HG2 -0.55 0.04 0.14 -0.04 2.03 1.61 2nzvG1 PRO 155 HG3 -0.06 -0.02 0.13 -0.04 2.03 2.03 2nzvG1 PRO 155 HD2 -0.18 0.58 0.43 -0.04 3.68 4.46 2nzvG1 PRO 155 HD3 -0.17 0.16 0.32 -0.04 3.65 3.91 2nzvG1 SER 156 H 0.01 0.46 0.38 -0.55 8.46 8.77 2nzvG1 SER 156 HA 0.01 0.17 0.69 -0.75 4.49 4.61 2nzvG1 SER 156 HB2 0.01 0.12 0.16 -0.04 3.95 4.19 2nzvG1 SER 156 HB3 0.01 -0.03 -0.06 -0.04 3.93 3.81 2nzvG1 VAL 157 H 0.02 0.65 0.37 -0.55 8.24 8.72 2nzvG1 VAL 157 HA -0.00 0.12 0.82 -0.75 4.13 4.31 2nzvG1 VAL 157 HB 0.00 0.01 0.20 -0.04 2.12 2.29 2nzvG1 VAL 157 HG13 -0.00 -0.02 -0.07 -0.04 0.97 0.84 2nzvG1 VAL 157 HG23 -0.00 0.03 -0.11 -0.04 0.95 0.83 2nzvG1 THR 158 H -0.04 0.35 0.06 -0.55 8.28 8.11 2nzvG1 THR 158 HA -0.00 -0.01 0.67 -0.75 4.39 4.29 2nzvG1 THR 158 HB -0.42 -0.19 0.20 -0.04 4.32 3.86 2nzvG1 THR 158 HG23 0.04 -0.03 -0.30 -0.04 1.22 0.88 2nzvG1 ILE 159 H -0.61 0.12 0.18 -0.55 8.25 7.40 2nzvG1 ILE 159 HA -0.06 0.40 0.73 -0.75 4.18 4.50 2nzvG1 ILE 159 HB 0.00 -0.12 -0.03 -0.04 1.89 1.70 2nzvG1 ILE 159 HG12 0.11 -0.14 -0.23 -0.04 1.49 1.19 2nzvG1 ILE 159 HG13 0.19 -0.07 0.01 -0.04 1.21 1.29 2nzvG1 ILE 159 HG23 0.05 0.04 -0.18 -0.04 0.93 0.80 2nzvG1 ILE 159 HD13 0.07 0.09 0.01 -0.04 0.88 1.00 2nzvG1 ASP 160 H -0.02 0.33 -0.01 -0.55 8.40 8.15 2nzvG1 ASP 160 HA -0.12 0.14 0.66 -0.75 4.63 4.56 2nzvG1 ASP 160 HB2 0.02 0.15 0.05 -0.04 2.71 2.88 2nzvG1 ASP 160 HB3 0.06 0.00 0.17 -0.04 2.70 2.90 2nzvG1 TYR 161 H -0.24 0.39 -0.00 -0.55 8.29 7.89 2nzvG1 TYR 161 HA 0.09 0.05 0.27 -0.75 4.56 4.21 2nzvG1 TYR 161 HB2 0.01 -0.01 0.14 -0.04 3.06 3.16 2nzvG1 TYR 161 HB3 0.01 0.03 -0.06 -0.04 2.98 2.92 2nzvG1 TYR 161 HD2 0.09 0.01 -0.05 -0.04 7.15 7.16 2nzvG1 TYR 161 HE2 0.10 -0.00 -0.07 -0.04 6.85 6.84 2nzvG1 GLU 162 H 0.14 0.16 -0.02 -0.55 8.60 8.33 2nzvG1 GLU 162 HA 0.11 0.19 0.23 -0.75 4.29 4.07 2nzvG1 GLU 162 HB2 0.07 -0.00 0.16 -0.04 2.09 2.28 2nzvG1 GLU 162 HB3 0.04 -0.00 0.01 -0.04 1.99 2.00 2nzvG1 GLU 162 HG2 0.08 -0.05 0.12 -0.04 2.34 2.44 2nzvG1 GLU 162 HG3 0.04 0.07 0.03 -0.04 2.34 2.44 2nzvG1 GLN 163 H 0.03 0.05 -0.60 -0.55 8.47 7.40 2nzvG1 GLN 163 HA 0.01 0.09 0.42 -0.75 4.36 4.13 2nzvG1 GLN 163 HB2 0.02 0.05 0.04 -0.04 2.15 2.22 2nzvG1 GLN 163 HB3 0.15 0.04 -0.08 -0.04 2.02 2.09 2nzvG1 GLN 163 HG2 -0.02 -0.04 -0.04 -0.04 2.40 2.26 2nzvG1 GLN 163 HG3 0.04 0.05 -0.01 -0.04 2.39 2.42 2nzvG1 GLN 163 HE21 -0.27 0.04 -0.03 -0.04 6.97 6.67 2nzvG1 GLN 163 HE22 -0.11 0.01 -0.04 -0.04 7.69 7.50 2nzvG1 ALA 164 H -0.14 0.46 0.03 -0.55 8.40 8.20 2nzvG1 ALA 164 HA 0.09 0.04 0.35 -0.75 4.34 4.07 2nzvG1 ALA 164 HB3 -0.33 0.00 0.02 -0.04 1.41 1.06 2nzvG1 ALA 165 H 0.18 0.54 -0.24 -0.55 8.40 8.34 2nzvG1 ALA 165 HA 0.17 0.01 0.31 -0.75 4.34 4.07 2nzvG1 ALA 165 HB3 0.16 0.03 0.06 -0.04 1.41 1.62 2nzvG1 PHE 166 H 0.20 0.36 -0.36 -0.55 8.34 7.98 2nzvG1 PHE 166 HA -0.09 0.17 0.39 -0.75 4.62 4.33 2nzvG1 PHE 166 HB2 -0.01 -0.02 0.18 -0.04 3.15 3.26 2nzvG1 PHE 166 HB3 0.00 0.14 0.28 -0.04 3.06 3.44 2nzvG1 PHE 166 HD2 -0.01 -0.01 -0.22 -0.04 7.28 7.00 2nzvG1 PHE 166 HE2 -0.01 0.03 -0.22 -0.04 7.38 7.14 2nzvG1 PHE 166 HZ -0.01 0.06 -0.08 -0.04 7.32 7.26 2nzvG1 ASP 167 H 0.33 0.77 0.13 -0.55 8.40 9.07 2nzvG1 ASP 167 HA 0.30 0.02 0.27 -0.75 4.63 4.46 2nzvG1 ASP 167 HB2 0.20 0.00 0.07 -0.04 2.71 2.94 2nzvG1 ASP 167 HB3 0.16 -0.04 -0.07 -0.04 2.70 2.71 2nzvG1 ALA 168 H -0.07 0.36 -0.73 -0.55 8.40 7.41 2nzvG1 ALA 168 HA -0.03 0.06 0.49 -0.75 4.34 4.09 2nzvG1 ALA 168 HB3 -0.25 -0.00 -0.03 -0.04 1.41 1.09 2nzvG1 VAL 169 H -0.41 0.46 0.04 -0.55 8.24 7.79 2nzvG1 VAL 169 HA -0.20 0.01 0.38 -0.75 4.13 3.57 2nzvG1 VAL 169 HB -0.31 0.07 0.20 -0.04 2.12 2.04 2nzvG1 VAL 169 HG13 -0.12 0.03 -0.14 -0.04 0.97 0.69 2nzvG1 VAL 169 HG23 -0.31 0.01 0.07 -0.04 0.95 0.68 2nzvG1 GLN 170 H -0.30 0.77 -0.12 -0.55 8.47 8.28 2nzvG1 GLN 170 HA -0.21 0.07 0.35 -0.75 4.36 3.80 2nzvG1 GLN 170 HB2 -0.41 0.14 -0.11 -0.04 2.15 1.73 2nzvG1 GLN 170 HB3 -0.05 0.02 -0.16 -0.04 2.02 1.80 2nzvG1 GLN 170 HG2 -0.73 0.06 0.03 -0.04 2.40 1.71 2nzvG1 GLN 170 HG3 -0.12 -0.05 -0.06 -0.04 2.39 2.12 2nzvG1 GLN 170 HE21 -0.06 -0.01 0.00 -0.04 6.97 6.87 2nzvG1 GLN 170 HE22 -0.18 0.22 0.03 -0.04 7.69 7.72 2nzvG1 SER 171 H -0.04 0.28 -0.70 -0.55 8.46 7.46 2nzvG1 SER 171 HA 0.05 0.01 0.41 -0.75 4.49 4.21 2nzvG1 SER 171 HB2 0.23 -0.10 0.07 -0.04 3.95 4.10 2nzvG1 SER 171 HB3 0.11 0.17 0.21 -0.04 3.93 4.38 2nzvG1 LEU 172 H -0.01 0.43 -0.38 -0.55 8.37 7.86 2nzvG1 LEU 172 HA 0.14 0.10 0.52 -0.75 4.35 4.35 2nzvG1 LEU 172 HB2 -0.02 0.19 0.07 -0.04 1.64 1.83 2nzvG1 LEU 172 HB3 -0.05 -0.04 -0.11 -0.04 1.64 1.40 2nzvG1 LEU 172 HG 0.00 0.11 -0.10 -0.04 1.64 1.61 2nzvG1 LEU 172 HD13 -0.06 -0.03 -0.23 -0.04 0.93 0.57 2nzvG1 LEU 172 HD23 0.02 0.00 -0.19 -0.04 0.89 0.68 2nzvG1 ILE 173 H -0.01 0.34 -0.08 -0.55 8.25 7.95 2nzvG1 ILE 173 HA 0.05 0.08 0.43 -0.75 4.18 3.98 2nzvG1 ILE 173 HB -0.05 0.05 0.17 -0.04 1.89 2.01 2nzvG1 ILE 173 HG12 -0.03 0.06 -0.00 -0.04 1.49 1.47 2nzvG1 ILE 173 HG13 -0.07 0.03 -0.05 -0.04 1.21 1.07 2nzvG1 ILE 173 HG23 -0.02 0.02 -0.10 -0.04 0.93 0.78 2nzvG1 ILE 173 HD13 -0.15 -0.05 -0.09 -0.04 0.88 0.55 2nzvG1 ASP 174 H 0.00 0.48 -0.18 -0.55 8.40 8.15 2nzvG1 ASP 174 HA -0.00 0.00 0.30 -0.75 4.63 4.18 2nzvG1 ASP 174 HB2 0.02 0.14 0.05 -0.04 2.71 2.87 2nzvG1 ASP 174 HB3 -0.00 -0.05 -0.07 -0.04 2.70 2.54 2nzvG1 SER 175 H 0.06 0.21 -0.51 -0.55 8.46 7.68 2nzvG1 SER 175 HA 0.00 -0.05 0.34 -0.75 4.49 4.02 2nzvG1 SER 175 HB2 0.10 0.03 0.10 -0.04 3.95 4.14 2nzvG1 SER 175 HB3 0.27 0.14 0.01 -0.04 3.93 4.30 2nzvG1 GLY 176 H 0.01 0.49 -0.79 -0.55 8.43 7.59 2nzvG1 GLY 176 HA2 -0.05 0.01 0.31 -0.51 4.01 3.77 2nzvG1 GLY 176 HA3 -0.11 0.03 0.69 -0.51 4.01 4.11 2nzvG1 HIS 177 H 0.05 0.26 0.19 -0.55 8.41 8.37 2nzvG1 HIS 177 HA 0.01 0.16 0.92 -0.75 4.63 4.97 2nzvG1 HIS 177 HB2 0.01 0.05 -0.26 -0.04 3.26 3.02 2nzvG1 HIS 177 HB3 0.02 -0.11 -0.31 -0.04 3.20 2.76 2nzvG1 HIS 177 HD2 0.02 0.11 -0.18 -0.04 6.97 6.87 2nzvG1 HIS 177 HE1 0.02 0.18 0.02 -0.04 7.75 7.92 2nzvG1 LYS 178 H 0.12 0.12 0.08 -0.55 8.42 8.18 2nzvG1 LYS 178 HA 0.06 0.19 0.68 -0.75 4.32 4.49 2nzvG1 LYS 178 HB2 0.06 0.01 0.03 -0.04 1.87 1.93 2nzvG1 LYS 178 HB3 0.04 0.04 0.06 -0.04 1.79 1.88 2nzvG1 LYS 178 HG2 0.11 -0.52 0.25 -0.04 1.46 1.26 2nzvG1 LYS 178 HG3 0.08 0.06 0.06 -0.04 1.46 1.63 2nzvG1 LYS 178 HD2 0.06 0.06 0.06 -0.04 1.69 1.83 2nzvG1 LYS 178 HD3 0.03 0.01 0.04 -0.04 1.68 1.72 2nzvG1 LYS 178 HE2 0.04 -0.14 0.12 -0.04 2.99 2.97 2nzvG1 LYS 178 HE3 0.13 -0.01 0.13 -0.04 2.99 3.20 2nzvG1 ASN 179 H 0.13 0.11 0.10 -0.55 8.53 8.32 2nzvG1 ASN 179 HA 0.25 0.18 0.80 -0.75 4.76 5.24 2nzvG1 ASN 179 HB2 0.14 -0.01 0.19 -0.04 2.88 3.15 2nzvG1 ASN 179 HB3 0.51 0.06 -0.07 -0.04 2.79 3.24 2nzvG1 ASN 179 HD21 0.10 -0.04 -0.03 -0.04 7.03 7.02 2nzvG1 ASN 179 HD22 0.12 0.17 0.03 -0.04 7.74 8.01 2nzvG1 ILE 180 H 0.17 0.27 0.11 -0.55 8.25 8.25 2nzvG1 ILE 180 HA -0.00 0.20 0.84 -0.75 4.18 4.47 2nzvG1 ILE 180 HB 0.17 -0.02 0.05 -0.04 1.89 2.04 2nzvG1 ILE 180 HG12 0.08 0.06 -0.32 -0.04 1.49 1.27 2nzvG1 ILE 180 HG13 0.03 0.02 -0.15 -0.04 1.21 1.07 2nzvG1 ILE 180 HG23 0.18 0.01 -0.11 -0.04 0.93 0.98 2nzvG1 ILE 180 HD13 -0.00 0.00 -0.27 -0.04 0.88 0.57 2nzvG1 ALA 181 H -0.06 0.54 0.43 -0.55 8.40 8.76 2nzvG1 ALA 181 HA -0.03 0.20 0.95 -0.75 4.34 4.71 2nzvG1 ALA 181 HB3 -0.29 0.01 0.09 -0.04 1.41 1.18 2nzvG1 PHE 182 H -0.01 0.88 0.38 -0.55 8.34 9.03 2nzvG1 PHE 182 HA -0.26 0.25 0.93 -0.75 4.62 4.79 2nzvG1 PHE 182 HB2 -1.56 0.09 -0.16 -0.04 3.15 1.47 2nzvG1 PHE 182 HB3 -0.51 -0.06 0.06 -0.04 3.06 2.51 2nzvG1 PHE 182 HD2 -0.25 0.22 -0.02 -0.04 7.28 7.20 2nzvG1 PHE 182 HE2 -0.42 -0.09 -0.27 -0.04 7.38 6.56 2nzvG1 PHE 182 HZ -0.18 -0.11 -0.17 -0.04 7.32 6.82 2nzvG1 VAL 183 H -0.19 0.61 0.24 -0.55 8.24 8.35 2nzvG1 VAL 183 HA -0.39 0.48 1.00 -0.75 4.13 4.47 2nzvG1 VAL 183 HB -0.22 -0.11 0.15 -0.04 2.12 1.90 2nzvG1 VAL 183 HG13 -0.22 -0.00 -0.14 -0.04 0.97 0.57 2nzvG1 VAL 183 HG23 -0.15 0.03 -0.18 -0.04 0.95 0.61 2nzvG1 SER 184 H -0.73 0.27 -0.06 -0.55 8.46 7.40 2nzvG1 SER 184 HA -0.56 0.05 0.96 -0.75 4.49 4.18 2nzvG1 SER 184 HB2 -0.33 -0.08 0.08 -0.04 3.95 3.58 2nzvG1 SER 184 HB3 -1.50 0.06 -0.12 -0.04 3.93 2.33 2nzvG1 GLY 185 H -0.19 0.11 0.11 -0.55 8.43 7.91 2nzvG1 GLY 185 HA2 -0.44 0.57 0.98 -0.51 4.01 4.61 2nzvG1 GLY 185 HA3 -0.60 -0.06 0.27 -0.51 4.01 3.11 2nzvG1 THR 186 H -0.49 0.20 0.17 -0.55 8.28 7.61 2nzvG1 THR 186 HA -0.15 0.02 0.38 -0.75 4.39 3.88 2nzvG1 THR 186 HB -0.02 -0.01 0.14 -0.04 4.32 4.39 2nzvG1 THR 186 HG23 -0.03 -0.01 -0.04 -0.04 1.22 1.09 2nzvG1 LEU 187 H -0.09 0.13 0.06 -0.55 8.37 7.92 2nzvG1 LEU 187 HA 0.02 0.07 0.44 -0.75 4.35 4.12 2nzvG1 LEU 187 HB2 -0.06 0.00 0.06 -0.04 1.64 1.60 2nzvG1 LEU 187 HB3 -0.02 0.05 0.06 -0.04 1.64 1.69 2nzvG1 LEU 187 HG -0.09 -0.09 -0.02 -0.04 1.64 1.40 2nzvG1 LEU 187 HD13 -0.04 0.03 -0.03 -0.04 0.93 0.85 2nzvG1 LEU 187 HD23 -0.02 0.02 -0.06 -0.04 0.89 0.79 2nzvG1 GLU 188 H -0.05 0.01 -0.37 -0.55 8.60 7.65 2nzvG1 GLU 188 HA -0.16 0.13 0.39 -0.75 4.29 3.90 2nzvG1 GLU 188 HB2 -0.03 -0.04 0.00 -0.04 2.09 1.98 2nzvG1 GLU 188 HB3 -0.04 0.03 0.10 -0.04 1.99 2.04 2nzvG1 GLU 188 HG2 -0.08 0.07 0.01 -0.04 2.34 2.31 2nzvG1 GLU 188 HG3 -0.06 -0.09 0.01 -0.04 2.34 2.16 2nzvG1 GLU 189 H 0.07 0.45 -0.40 -0.55 8.60 8.18 2nzvG1 GLU 189 HA 0.09 0.19 0.72 -0.75 4.29 4.53 2nzvG1 GLU 189 HB2 0.08 -0.01 0.21 -0.04 2.09 2.33 2nzvG1 GLU 189 HB3 0.06 0.15 0.14 -0.04 1.99 2.29 2nzvG1 GLU 189 HG2 0.06 -0.00 -0.14 -0.04 2.34 2.22 2nzvG1 GLU 189 HG3 0.06 0.02 0.01 -0.04 2.34 2.39 2nzvG1 PRO 190 HA -0.08 0.03 0.33 -0.51 4.44 4.21 2nzvG1 PRO 190 HB2 0.02 0.03 -0.02 -0.04 2.28 2.27 2nzvG1 PRO 190 HB3 0.09 0.07 0.15 -0.04 2.02 2.30 2nzvG1 PRO 190 HG2 0.05 -0.01 0.17 -0.04 2.03 2.19 2nzvG1 PRO 190 HG3 0.05 0.03 0.20 -0.04 2.03 2.26 2nzvG1 PRO 190 HD2 0.07 0.22 0.44 -0.04 3.68 4.37 2nzvG1 PRO 190 HD3 0.11 0.22 0.34 -0.04 3.65 4.28 2nzvG1 ILE 191 H 0.02 0.20 -0.29 -0.55 8.25 7.63 2nzvG1 ILE 191 HA 0.02 0.07 0.42 -0.75 4.18 3.94 2nzvG1 ILE 191 HB 0.03 -0.01 0.08 -0.04 1.89 1.96 2nzvG1 ILE 191 HG12 -0.25 -0.04 0.07 -0.04 1.49 1.24 2nzvG1 ILE 191 HG13 -0.37 0.05 -0.01 -0.04 1.21 0.83 2nzvG1 ILE 191 HG23 -0.08 0.03 0.04 -0.04 0.93 0.88 2nzvG1 ILE 191 HD13 -0.55 -0.01 -0.23 -0.04 0.88 0.05 2nzvG1 ASN 192 H 0.01 0.69 -0.04 -0.55 8.53 8.64 2nzvG1 ASN 192 HA -0.04 0.02 0.66 -0.75 4.76 4.65 2nzvG1 ASN 192 HB2 0.07 0.21 0.25 -0.04 2.88 3.37 2nzvG1 ASN 192 HB3 0.05 0.02 0.05 -0.04 2.79 2.86 2nzvG1 ASN 192 HD21 -0.07 -0.03 0.01 -0.04 7.03 6.90 2nzvG1 ASN 192 HD22 -0.04 -0.01 0.04 -0.04 7.74 7.69 2nzvG1 HIS 193 H 0.23 0.38 0.11 -0.55 8.41 8.59 2nzvG1 HIS 193 HA 0.08 -0.01 0.35 -0.75 4.63 4.30 2nzvG1 HIS 193 HB2 0.04 0.00 0.05 -0.04 3.26 3.32 2nzvG1 HIS 193 HB3 0.02 0.13 0.20 -0.04 3.20 3.51 2nzvG1 HIS 193 HD2 0.01 0.11 -0.45 -0.04 6.97 6.60 2nzvG1 HIS 193 HE1 0.02 0.00 -0.05 -0.04 7.75 7.68 2nzvG1 ALA 194 H -0.78 0.20 -0.31 -0.55 8.40 6.96 2nzvG1 ALA 194 HA -0.17 0.16 0.66 -0.75 4.34 4.23 2nzvG1 ALA 194 HB3 -0.33 0.09 0.09 -0.04 1.41 1.22 2nzvG1 LYS 195 H -0.08 0.17 -0.43 -0.55 8.42 7.53 2nzvG1 LYS 195 HA 0.03 0.23 1.09 -0.75 4.32 4.92 2nzvG1 LYS 195 HB2 0.04 0.12 0.14 -0.04 1.87 2.13 2nzvG1 LYS 195 HB3 0.12 -0.08 0.06 -0.04 1.79 1.85 2nzvG1 LYS 195 HG2 0.18 -0.06 0.03 -0.04 1.46 1.57 2nzvG1 LYS 195 HG3 0.09 -0.17 0.10 -0.04 1.46 1.44 2nzvG1 LYS 195 HD2 0.01 0.35 -0.19 -0.04 1.69 1.82 2nzvG1 LYS 195 HD3 0.03 -0.01 -0.23 -0.04 1.68 1.43 2nzvG1 LYS 195 HE2 0.04 -0.04 -0.05 -0.04 2.99 2.90 2nzvG1 LYS 195 HE3 0.03 -0.03 -0.00 -0.04 2.99 2.95 2nzvG1 LYS 196 H 0.00 0.45 0.31 -0.55 8.42 8.63 2nzvG1 LYS 196 HA 0.09 0.03 0.35 -0.75 4.32 4.03 2nzvG1 LYS 196 HB2 0.07 -0.01 0.18 -0.04 1.87 2.07 2nzvG1 LYS 196 HB3 0.10 0.02 -0.05 -0.04 1.79 1.82 2nzvG1 LYS 196 HG2 -0.12 -0.02 -0.04 -0.04 1.46 1.24 2nzvG1 LYS 196 HG3 -0.23 0.11 0.08 -0.04 1.46 1.38 2nzvG1 LYS 196 HD2 -0.26 -0.06 0.02 -0.04 1.69 1.34 2nzvG1 LYS 196 HD3 -0.38 0.03 -0.01 -0.04 1.68 1.27 2nzvG1 LYS 196 HE2 -1.30 -0.03 -0.03 -0.04 2.99 1.59 2nzvG1 LYS 196 HE3 -0.78 -0.03 -0.03 -0.04 2.99 2.11 2nzvG1 VAL 197 H 0.14 0.49 -0.06 -0.55 8.24 8.27 2nzvG1 VAL 197 HA 0.18 0.05 0.32 -0.75 4.13 3.94 2nzvG1 VAL 197 HB 0.16 0.19 0.08 -0.04 2.12 2.51 2nzvG1 VAL 197 HG13 0.28 0.00 -0.12 -0.04 0.97 1.09 2nzvG1 VAL 197 HG23 0.29 0.02 -0.17 -0.04 0.95 1.05 2nzvG1 LYS 198 H 0.09 0.21 -0.35 -0.55 8.42 7.81 2nzvG1 LYS 198 HA 0.08 0.02 0.30 -0.75 4.32 3.97 2nzvG1 LYS 198 HB2 0.06 0.08 0.00 -0.04 1.87 1.97 2nzvG1 LYS 198 HB3 0.06 -0.01 -0.02 -0.04 1.79 1.77 2nzvG1 LYS 198 HG2 0.05 0.00 -0.13 -0.04 1.46 1.34 2nzvG1 LYS 198 HG3 0.03 0.28 -0.08 -0.04 1.46 1.64 2nzvG1 LYS 198 HD2 0.04 -0.01 0.01 -0.04 1.69 1.69 2nzvG1 LYS 198 HD3 0.06 -0.06 0.01 -0.04 1.68 1.65 2nzvG1 LYS 198 HE2 0.05 0.13 0.07 -0.04 2.99 3.20 2nzvG1 LYS 198 HE3 0.02 0.04 0.08 -0.04 2.99 3.09 2nzvG1 GLY 199 H 0.09 0.38 -0.27 -0.55 8.43 8.09 2nzvG1 GLY 199 HA2 0.19 -0.02 0.31 -0.51 4.01 3.98 2nzvG1 GLY 199 HA3 0.12 0.07 0.26 -0.51 4.01 3.95 2nzvG1 TYR 200 H 0.08 0.41 -0.33 -0.55 8.29 7.91 2nzvG1 TYR 200 HA -0.23 0.03 0.36 -0.75 4.56 3.96 2nzvG1 TYR 200 HB2 -0.41 -0.06 0.04 -0.04 3.06 2.59 2nzvG1 TYR 200 HB3 -0.22 0.18 0.18 -0.04 2.98 3.08 2nzvG1 TYR 200 HD2 -0.04 -0.03 -0.08 -0.04 7.15 6.96 2nzvG1 TYR 200 HE2 0.11 -0.01 -0.26 -0.04 6.85 6.66 2nzvG1 LYS 201 H 0.04 0.51 -0.08 -0.55 8.42 8.35 2nzvG1 LYS 201 HA -0.32 0.03 0.42 -0.75 4.32 3.69 2nzvG1 LYS 201 HB2 0.03 0.04 0.17 -0.04 1.87 2.07 2nzvG1 LYS 201 HB3 -0.02 -0.05 0.01 -0.04 1.79 1.69 2nzvG1 LYS 201 HG2 -0.02 -0.02 -0.05 -0.04 1.46 1.34 2nzvG1 LYS 201 HG3 0.15 0.06 -0.07 -0.04 1.46 1.55 2nzvG1 LYS 201 HD2 0.09 -0.03 -0.10 -0.04 1.69 1.61 2nzvG1 LYS 201 HD3 0.05 0.00 -0.04 -0.04 1.68 1.65 2nzvG1 LYS 201 HE2 0.12 0.01 -0.11 -0.04 2.99 2.97 2nzvG1 LYS 201 HE3 0.21 -0.03 -0.12 -0.04 2.99 3.01 2nzvG1 ARG 202 H 0.04 0.74 0.07 -0.55 8.46 8.75 2nzvG1 ARG 202 HA 0.05 -0.04 0.33 -0.75 4.34 3.93 2nzvG1 ARG 202 HB2 0.11 -0.04 0.03 -0.04 1.90 1.95 2nzvG1 ARG 202 HB3 0.28 0.05 0.04 -0.04 1.80 2.13 2nzvG1 ARG 202 HG2 0.51 0.04 -0.27 -0.04 1.67 1.91 2nzvG1 ARG 202 HG3 0.15 -0.02 -0.04 -0.04 1.67 1.72 2nzvG1 ARG 202 HD2 0.01 0.01 -0.07 -0.04 3.22 3.14 2nzvG1 ARG 202 HD3 0.05 -0.02 -0.05 -0.04 3.22 3.16 2nzvG1 ALA 203 H -0.07 0.67 -0.19 -0.55 8.40 8.26 2nzvG1 ALA 203 HA -1.08 -0.04 0.30 -0.75 4.34 2.77 2nzvG1 ALA 203 HB3 -0.68 0.00 0.09 -0.04 1.41 0.78 2nzvG1 LEU 204 H -0.23 0.42 -0.54 -0.55 8.37 7.48 2nzvG1 LEU 204 HA -0.15 0.11 0.57 -0.75 4.35 4.13 2nzvG1 LEU 204 HB2 -0.25 0.10 0.26 -0.04 1.64 1.71 2nzvG1 LEU 204 HB3 -0.15 -0.02 -0.05 -0.04 1.64 1.38 2nzvG1 LEU 204 HG -0.33 -0.00 -0.06 -0.04 1.64 1.20 2nzvG1 LEU 204 HD13 -0.75 -0.01 -0.12 -0.04 0.93 0.02 2nzvG1 LEU 204 HD23 -0.08 -0.01 -0.07 -0.04 0.89 0.69 2nzvG1 THR 205 H -0.09 0.68 0.22 -0.55 8.28 8.55 2nzvG1 THR 205 HA -0.03 -0.03 0.42 -0.75 4.39 3.99 2nzvG1 THR 205 HB -0.01 -0.04 0.12 -0.04 4.32 4.35 2nzvG1 THR 205 HG23 -0.03 0.04 -0.11 -0.04 1.22 1.08 2nzvG1 GLU 206 H -0.01 0.64 -0.56 -0.55 8.60 8.11 2nzvG1 GLU 206 HA 0.03 -0.00 0.46 -0.75 4.29 4.03 2nzvG1 GLU 206 HB2 0.11 0.44 0.02 -0.04 2.09 2.62 2nzvG1 GLU 206 HB3 0.10 -0.01 -0.06 -0.04 1.99 1.98 2nzvG1 GLU 206 HG2 0.08 -0.02 0.05 -0.04 2.34 2.40 2nzvG1 GLU 206 HG3 0.12 -0.08 -0.04 -0.04 2.34 2.31 2nzvG1 SER 207 H -0.04 0.83 -0.29 -0.55 8.46 8.42 2nzvG1 SER 207 HA -0.01 0.11 0.83 -0.75 4.49 4.67 2nzvG1 SER 207 HB2 -0.06 0.06 0.07 -0.04 3.95 3.99 2nzvG1 SER 207 HB3 -0.03 -0.05 0.14 -0.04 3.93 3.95 2nzvG1 GLY 208 H -0.02 0.20 -0.23 -0.55 8.43 7.84 2nzvG1 GLY 208 HA2 -0.01 -0.03 0.33 -0.51 4.01 3.78 2nzvG1 GLY 208 HA3 -0.01 0.01 0.40 -0.51 4.01 3.90 2nzvG1 LEU 209 H -0.04 0.16 -0.11 -0.55 8.37 7.84 2nzvG1 LEU 209 HA -0.01 0.23 0.84 -0.75 4.35 4.65 2nzvG1 LEU 209 HB2 -0.05 -0.14 -0.07 -0.04 1.64 1.34 2nzvG1 LEU 209 HB3 -0.01 0.07 0.00 -0.04 1.64 1.66 2nzvG1 LEU 209 HG -0.02 0.12 -0.94 -0.04 1.64 0.76 2nzvG1 LEU 209 HD13 -0.04 -0.00 -0.05 -0.04 0.93 0.79 2nzvG1 LEU 209 HD23 0.01 0.03 0.07 -0.04 0.89 0.96 2nzvG1 PRO 210 HA -0.02 -0.04 0.39 -0.51 4.44 4.26 2nzvG1 PRO 210 HB2 -0.05 -0.03 -0.00 -0.04 2.28 2.15 2nzvG1 PRO 210 HB3 -0.03 0.03 0.08 -0.04 2.02 2.06 2nzvG1 PRO 210 HG2 -0.01 0.02 0.13 -0.04 2.03 2.14 2nzvG1 PRO 210 HG3 -0.02 0.05 0.08 -0.04 2.03 2.10 2nzvG1 PRO 210 HD2 0.00 0.20 0.20 -0.04 3.68 4.04 2nzvG1 PRO 210 HD3 -0.01 0.16 0.17 -0.04 3.65 3.92 2nzvG1 VAL 211 H -0.03 0.14 0.19 -0.55 8.24 7.99 2nzvG1 VAL 211 HA -0.04 0.12 0.55 -0.75 4.13 4.01 2nzvG1 VAL 211 HB -0.01 -0.04 0.24 -0.04 2.12 2.27 2nzvG1 VAL 211 HG13 0.00 -0.02 -0.06 -0.04 0.97 0.85 2nzvG1 VAL 211 HG23 -0.06 0.04 0.09 -0.04 0.95 0.99 2nzvG1 ARG 212 H 0.02 0.44 0.20 -0.55 8.46 8.57 2nzvG1 ARG 212 HA -0.03 0.08 0.74 -0.75 4.34 4.38 2nzvG1 ARG 212 HB2 -0.22 0.12 0.21 -0.04 1.90 1.97 2nzvG1 ARG 212 HB3 -0.22 -0.12 0.05 -0.04 1.80 1.46 2nzvG1 ARG 212 HG2 -0.13 -0.03 -0.07 -0.04 1.67 1.40 2nzvG1 ARG 212 HG3 -0.10 0.05 -0.25 -0.04 1.67 1.32 2nzvG1 ARG 212 HD2 -0.58 -0.02 0.00 -0.04 3.22 2.58 2nzvG1 ARG 212 HD3 -0.21 -0.01 -0.01 -0.04 3.22 2.95 2nzvG1 ASP 213 H 0.02 0.28 0.21 -0.55 8.40 8.36 2nzvG1 ASP 213 HA 0.09 0.04 0.31 -0.75 4.63 4.32 2nzvG1 ASP 213 HB2 0.03 0.03 0.05 -0.04 2.71 2.78 2nzvG1 ASP 213 HB3 0.04 0.02 0.13 -0.04 2.70 2.85 2nzvG1 SER 214 H 0.01 0.01 -0.61 -0.55 8.46 7.33 2nzvG1 SER 214 HA 0.05 0.19 0.73 -0.75 4.49 4.71 2nzvG1 SER 214 HB2 0.04 0.05 0.08 -0.04 3.95 4.07 2nzvG1 SER 214 HB3 0.00 -0.06 0.01 -0.04 3.93 3.84 2nzvG1 TYR 215 H 0.19 0.71 0.02 -0.55 8.29 8.66 2nzvG1 TYR 215 HA 0.05 0.16 0.63 -0.75 4.56 4.64 2nzvG1 TYR 215 HB2 0.14 0.10 0.23 -0.04 3.06 3.48 2nzvG1 TYR 215 HB3 0.21 -0.03 0.15 -0.04 2.98 3.26 2nzvG1 TYR 215 HD2 0.08 0.09 -0.03 -0.04 7.15 7.25 2nzvG1 TYR 215 HE2 0.04 0.02 -0.04 -0.04 6.85 6.83 2nzvG1 ILE 216 H 0.17 0.19 -0.42 -0.55 8.25 7.65 2nzvG1 ILE 216 HA 0.02 0.28 0.98 -0.75 4.18 4.71 2nzvG1 ILE 216 HB 0.11 -0.11 -0.02 -0.04 1.89 1.83 2nzvG1 ILE 216 HG12 0.11 0.23 0.13 -0.04 1.49 1.91 2nzvG1 ILE 216 HG13 0.03 -0.05 -0.06 -0.04 1.21 1.09 2nzvG1 ILE 216 HG23 0.37 0.01 -0.14 -0.04 0.93 1.13 2nzvG1 ILE 216 HD13 0.12 -0.04 -0.03 -0.04 0.88 0.89 2nzvG1 VAL 217 H -0.16 0.71 0.31 -0.55 8.24 8.55 2nzvG1 VAL 217 HA -0.07 0.10 0.84 -0.75 4.13 4.24 2nzvG1 VAL 217 HB -0.04 0.10 -0.03 -0.04 2.12 2.11 2nzvG1 VAL 217 HG13 -0.07 0.02 -0.10 -0.04 0.97 0.77 2nzvG1 VAL 217 HG23 -0.10 -0.04 -0.13 -0.04 0.95 0.64 2nzvG1 GLU 218 H -0.12 0.10 0.06 -0.55 8.60 8.09 2nzvG1 GLU 218 HA -0.27 0.28 0.73 -0.75 4.29 4.28 2nzvG1 GLU 218 HB2 -0.21 -0.18 -0.07 -0.04 2.09 1.59 2nzvG1 GLU 218 HB3 -0.17 -0.00 -0.10 -0.04 1.99 1.68 2nzvG1 GLU 218 HG2 -0.10 0.08 0.00 -0.04 2.34 2.28 2nzvG1 GLU 218 HG3 -0.13 0.04 -0.29 -0.04 2.34 1.91 2nzvG1 GLY 219 H -0.25 0.23 0.27 -0.55 8.43 8.13 2nzvG1 GLY 219 HA2 -0.16 0.01 0.37 -0.51 4.01 3.73 2nzvG1 GLY 219 HA3 -0.18 0.13 0.44 -0.51 4.01 3.89 2nzvG1 ASP 220 H -0.17 0.12 0.19 -0.55 8.40 8.00 2nzvG1 ASP 220 HA -0.43 0.04 0.65 -0.75 4.63 4.14 2nzvG1 ASP 220 HB2 -0.10 -0.07 0.21 -0.04 2.71 2.70 2nzvG1 ASP 220 HB3 -0.13 0.11 0.17 -0.04 2.70 2.82 2nzvG1 TYR 221 H -0.14 0.15 0.13 -0.55 8.29 7.88 2nzvG1 TYR 221 HA -0.11 0.25 0.48 -0.75 4.56 4.42 2nzvG1 TYR 221 HB2 -0.09 0.00 0.11 -0.04 3.06 3.04 2nzvG1 TYR 221 HB3 -0.13 -0.03 0.15 -0.04 2.98 2.93 2nzvG1 TYR 221 HD2 -0.14 0.03 -0.01 -0.04 7.15 6.99 2nzvG1 TYR 221 HE2 -0.14 0.03 0.00 -0.04 6.85 6.70 2nzvG1 THR 222 H -0.04 0.09 -0.71 -0.55 8.28 7.07 2nzvG1 THR 222 HA 0.06 0.17 0.66 -0.75 4.39 4.52 2nzvG1 THR 222 HB 0.05 -0.01 0.00 -0.04 4.32 4.32 2nzvG1 THR 222 HG23 0.03 0.02 -0.03 -0.04 1.22 1.20 2nzvG1 TYR 223 H 0.17 0.19 0.13 -0.55 8.29 8.22 2nzvG1 TYR 223 HA -0.03 0.19 0.29 -0.75 4.56 4.26 2nzvG1 TYR 223 HB2 -0.00 0.04 0.16 -0.04 3.06 3.22 2nzvG1 TYR 223 HB3 0.01 -0.05 0.15 -0.04 2.98 3.04 2nzvG1 TYR 223 HD2 -0.00 -0.04 -0.12 -0.04 7.15 6.95 2nzvG1 TYR 223 HE2 0.06 0.07 -0.17 -0.04 6.85 6.77 2nzvG1 ASP 224 H 0.15 0.01 -0.29 -0.55 8.40 7.71 2nzvG1 ASP 224 HA -0.03 0.15 0.38 -0.75 4.63 4.38 2nzvG1 ASP 224 HB2 0.05 -0.11 0.08 -0.04 2.71 2.69 2nzvG1 ASP 224 HB3 0.00 0.06 -0.04 -0.04 2.70 2.68 2nzvG1 SER 225 H -0.05 0.04 -0.12 -0.55 8.46 7.79 2nzvG1 SER 225 HA -0.09 0.04 0.40 -0.75 4.49 4.09 2nzvG1 SER 225 HB2 -0.12 0.04 0.11 -0.04 3.95 3.93 2nzvG1 SER 225 HB3 -0.09 -0.15 0.17 -0.04 3.93 3.81 2nzvG1 GLY 226 H -0.15 0.30 -0.27 -0.55 8.43 7.77 2nzvG1 GLY 226 HA2 -0.16 0.00 0.24 -0.51 4.01 3.59 2nzvG1 GLY 226 HA3 -0.19 0.08 0.33 -0.51 4.01 3.72 2nzvG1 ILE 227 H -0.20 0.49 -0.60 -0.55 8.25 7.38 2nzvG1 ILE 227 HA -0.14 0.21 0.52 -0.75 4.18 4.00 2nzvG1 ILE 227 HB -0.11 0.02 0.11 -0.04 1.89 1.87 2nzvG1 ILE 227 HG12 -0.34 0.10 0.13 -0.04 1.49 1.34 2nzvG1 ILE 227 HG13 -0.43 0.13 0.15 -0.04 1.21 1.02 2nzvG1 ILE 227 HG23 -0.06 -0.02 0.03 -0.04 0.93 0.84 2nzvG1 ILE 227 HD13 -0.20 -0.04 0.03 -0.04 0.88 0.63 2nzvG1 GLU 228 H -0.10 0.28 0.14 -0.55 8.60 8.38 2nzvG1 GLU 228 HA -0.05 0.07 0.49 -0.75 4.29 4.04 2nzvG1 GLU 228 HB2 -0.08 0.04 0.18 -0.04 2.09 2.19 2nzvG1 GLU 228 HB3 -0.05 0.00 0.08 -0.04 1.99 1.97 2nzvG1 GLU 228 HG2 -0.04 0.03 0.05 -0.04 2.34 2.33 2nzvG1 GLU 228 HG3 -0.07 0.07 0.09 -0.04 2.34 2.38 2nzvG1 ALA 229 H -0.10 0.47 -0.12 -0.55 8.40 8.09 2nzvG1 ALA 229 HA -0.08 0.03 0.30 -0.75 4.34 3.83 2nzvG1 ALA 229 HB3 -0.13 0.04 -0.06 -0.04 1.41 1.22 2nzvG1 VAL 230 H -0.09 0.23 -0.51 -0.55 8.24 7.32 2nzvG1 VAL 230 HA -0.07 0.03 0.26 -0.75 4.13 3.60 2nzvG1 VAL 230 HB -0.05 0.07 -0.13 -0.04 2.12 1.96 2nzvG1 VAL 230 HG13 -0.05 0.01 -0.01 -0.04 0.97 0.89 2nzvG1 VAL 230 HG23 -0.09 -0.05 0.17 -0.04 0.95 0.93 2nzvG1 GLU 231 H -0.05 0.33 -0.36 -0.55 8.60 7.98 2nzvG1 GLU 231 HA -0.02 0.11 0.54 -0.75 4.29 4.16 2nzvG1 GLU 231 HB2 -0.03 0.04 0.25 -0.04 2.09 2.31 2nzvG1 GLU 231 HB3 -0.02 -0.04 0.03 -0.04 1.99 1.92 2nzvG1 GLU 231 HG2 -0.02 0.03 0.01 -0.04 2.34 2.32 2nzvG1 GLU 231 HG3 -0.04 0.23 0.08 -0.04 2.34 2.57 2nzvG1 LYS 232 H -0.04 0.64 0.13 -0.55 8.42 8.59 2nzvG1 LYS 232 HA -0.01 -0.00 0.33 -0.75 4.32 3.88 2nzvG1 LYS 232 HB2 -0.03 -0.07 0.08 -0.04 1.87 1.81 2nzvG1 LYS 232 HB3 -0.04 0.05 0.05 -0.04 1.79 1.81 2nzvG1 LYS 232 HG2 -0.01 0.05 -0.05 -0.04 1.46 1.41 2nzvG1 LYS 232 HG3 -0.01 -0.00 0.09 -0.04 1.46 1.50 2nzvG1 LYS 232 HD2 -0.03 -0.04 -0.01 -0.04 1.69 1.56 2nzvG1 LYS 232 HD3 -0.02 -0.01 0.00 -0.04 1.68 1.61 2nzvG1 LYS 232 HE2 -0.02 0.02 0.01 -0.04 2.99 2.96 2nzvG1 LYS 232 HE3 -0.03 0.01 0.00 -0.04 2.99 2.93 2nzvG1 LEU 233 H -0.03 0.36 -0.71 -0.55 8.37 7.44 2nzvG1 LEU 233 HA 0.01 0.07 0.55 -0.75 4.35 4.22 2nzvG1 LEU 233 HB2 -0.05 0.07 0.08 -0.04 1.64 1.69 2nzvG1 LEU 233 HB3 -0.07 -0.02 -0.06 -0.04 1.64 1.45 2nzvG1 LEU 233 HG -0.06 0.03 -0.09 -0.04 1.64 1.47 2nzvG1 LEU 233 HD13 -0.11 -0.04 -0.15 -0.04 0.93 0.59 2nzvG1 LEU 233 HD23 -0.05 0.01 -0.02 -0.04 0.89 0.80 2nzvG1 LEU 234 H -0.01 0.44 -0.03 -0.55 8.37 8.22 2nzvG1 LEU 234 HA 0.01 0.08 0.58 -0.75 4.35 4.27 2nzvG1 LEU 234 HB2 -0.01 0.01 0.15 -0.04 1.64 1.76 2nzvG1 LEU 234 HB3 0.00 -0.04 0.14 -0.04 1.64 1.70 2nzvG1 LEU 234 HG -0.02 0.18 0.14 -0.04 1.64 1.90 2nzvG1 LEU 234 HD13 -0.01 -0.04 0.01 -0.04 0.93 0.85 2nzvG1 LEU 234 HD23 -0.01 -0.02 0.01 -0.04 0.89 0.83 2nzvG1 GLU 235 H 0.01 0.25 -0.59 -0.55 8.60 7.72 2nzvG1 GLU 235 HA 0.01 0.01 0.35 -0.75 4.29 3.91 2nzvG1 GLU 235 HB2 0.01 0.26 0.04 -0.04 2.09 2.36 2nzvG1 GLU 235 HB3 0.01 -0.10 -0.06 -0.04 1.99 1.80 2nzvG1 GLU 235 HG2 0.00 -0.03 -0.01 -0.04 2.34 2.26 2nzvG1 GLU 235 HG3 -0.00 0.09 -0.14 -0.04 2.34 2.24 2nzvG1 GLU 236 H 0.05 0.27 -0.64 -0.55 8.60 7.73 2nzvG1 GLU 236 HA 0.05 -0.08 0.35 -0.75 4.29 3.85 2nzvG1 GLU 236 HB2 0.12 0.32 0.06 -0.04 2.09 2.55 2nzvG1 GLU 236 HB3 0.14 0.09 -0.44 -0.04 1.99 1.74 2nzvG1 GLU 236 HG2 0.22 0.07 -0.01 -0.04 2.34 2.57 2nzvG1 GLU 236 HG3 0.07 -0.19 0.05 -0.04 2.34 2.22 2nzvG1 ASP 237 H 0.03 0.03 0.11 -0.55 8.40 8.02 2nzvG1 ASP 237 HA 0.03 0.13 0.45 -0.75 4.63 4.48 2nzvG1 ASP 237 HB2 0.02 -0.09 0.16 -0.04 2.71 2.75 2nzvG1 ASP 237 HB3 0.02 0.01 -0.00 -0.04 2.70 2.68 2nzvG1 GLU 238 H 0.05 -0.00 -0.08 -0.55 8.60 8.02 2nzvG1 GLU 238 HA 0.07 0.12 0.64 -0.75 4.29 4.36 2nzvG1 GLU 238 HB2 0.04 -0.07 0.14 -0.04 2.09 2.15 2nzvG1 GLU 238 HB3 0.11 0.06 -0.00 -0.04 1.99 2.12 2nzvG1 GLU 238 HG2 0.01 -0.08 -0.02 -0.04 2.34 2.21 2nzvG1 GLU 238 HG3 0.00 -0.02 0.00 -0.04 2.34 2.29 2nzvG1 LYS 239 H 0.07 0.19 0.04 -0.55 8.42 8.17 2nzvG1 LYS 239 HA 0.08 0.16 0.45 -0.75 4.32 4.26 2nzvG1 LYS 239 HB2 0.04 -0.09 0.12 -0.04 1.87 1.90 2nzvG1 LYS 239 HB3 0.03 0.12 -0.02 -0.04 1.79 1.88 2nzvG1 LYS 239 HG2 0.02 -0.08 0.07 -0.04 1.46 1.43 2nzvG1 LYS 239 HG3 0.03 0.03 0.08 -0.04 1.46 1.56 2nzvG1 LYS 239 HD2 0.04 0.37 -0.06 -0.04 1.69 1.99 2nzvG1 LYS 239 HD3 0.03 -0.13 0.06 -0.04 1.68 1.60 2nzvG1 LYS 239 HE2 0.02 -0.15 0.06 -0.04 2.99 2.88 2nzvG1 LYS 239 HE3 0.02 0.57 0.14 -0.04 2.99 3.69 2nzvG1 PRO 240 HA -0.06 0.09 0.53 -0.51 4.44 4.49 2nzvG1 PRO 240 HB2 -0.14 -0.05 -0.10 -0.04 2.28 1.95 2nzvG1 PRO 240 HB3 -0.31 0.02 0.01 -0.04 2.02 1.70 2nzvG1 PRO 240 HG2 -0.28 -0.04 -0.01 -0.04 2.03 1.67 2nzvG1 PRO 240 HG3 -0.77 0.04 -0.02 -0.04 2.03 1.23 2nzvG1 PRO 240 HD2 -0.06 0.05 0.07 -0.04 3.68 3.71 2nzvG1 PRO 240 HD3 0.00 0.28 0.21 -0.04 3.65 4.10 2nzvG1 THR 241 H 0.00 0.45 0.37 -0.55 8.28 8.55 2nzvG1 THR 241 HA 0.04 0.24 0.88 -0.75 4.39 4.80 2nzvG1 THR 241 HB 0.23 0.12 0.20 -0.04 4.32 4.84 2nzvG1 THR 241 HG23 0.09 0.01 -0.02 -0.04 1.22 1.25 2nzvG1 ALA 242 H -0.09 0.18 0.22 -0.55 8.40 8.17 2nzvG1 ALA 242 HA -0.16 0.13 0.79 -0.75 4.34 4.34 2nzvG1 ALA 242 HB3 -0.63 0.03 -0.07 -0.04 1.41 0.70 2nzvG1 ILE 243 H -0.05 0.94 0.36 -0.55 8.25 8.95 2nzvG1 ILE 243 HA -0.01 0.17 1.18 -0.75 4.18 4.77 2nzvG1 ILE 243 HB -0.04 -0.03 -0.01 -0.04 1.89 1.77 2nzvG1 ILE 243 HG12 -0.10 0.03 -0.26 -0.04 1.49 1.13 2nzvG1 ILE 243 HG13 -0.07 0.01 -0.31 -0.04 1.21 0.80 2nzvG1 ILE 243 HG23 -0.05 -0.02 -0.31 -0.04 0.93 0.50 2nzvG1 ILE 243 HD13 -0.07 0.02 -0.15 -0.04 0.88 0.63 2nzvG1 PHE 244 H 0.16 0.56 0.20 -0.55 8.34 8.71 2nzvG1 PHE 244 HA 0.02 0.14 0.83 -0.75 4.62 4.85 2nzvG1 PHE 244 HB2 -0.01 0.04 0.01 -0.04 3.15 3.15 2nzvG1 PHE 244 HB3 -0.06 0.10 0.24 -0.04 3.06 3.30 2nzvG1 PHE 244 HD2 -0.40 0.05 -0.02 -0.04 7.28 6.86 2nzvG1 PHE 244 HE2 -0.16 -0.00 -0.10 -0.04 7.38 7.07 2nzvG1 PHE 244 HZ 0.21 -0.12 -0.10 -0.04 7.32 7.27 2nzvG1 VAL 245 H -0.06 0.78 0.32 -0.55 8.24 8.74 2nzvG1 VAL 245 HA -0.23 0.26 1.15 -0.75 4.13 4.56 2nzvG1 VAL 245 HB -0.08 -0.12 -0.00 -0.04 2.12 1.87 2nzvG1 VAL 245 HG13 -0.15 -0.08 -0.18 -0.04 0.97 0.52 2nzvG1 VAL 245 HG23 -0.08 0.05 -0.24 -0.04 0.95 0.64 2nzvG1 GLY 246 H -0.31 0.77 0.24 -0.55 8.43 8.59 2nzvG1 GLY 246 HA2 -0.30 0.08 0.25 -0.51 4.01 3.53 2nzvG1 GLY 246 HA3 -0.22 -0.07 0.35 -0.51 4.01 3.56 2nzvG1 THR 247 H -0.10 0.14 -0.73 -0.55 8.28 7.05 2nzvG1 THR 247 HA 0.05 0.06 0.40 -0.75 4.39 4.15 2nzvG1 THR 247 HB -0.17 0.38 0.12 -0.04 4.32 4.61 2nzvG1 THR 247 HG23 0.01 -0.06 -0.20 -0.04 1.22 0.92 2nzvG1 ASP 248 H 0.06 0.62 0.33 -0.55 8.40 8.87 2nzvG1 ASP 248 HA 0.02 0.07 0.40 -0.75 4.63 4.36 2nzvG1 ASP 248 HB2 0.05 0.05 0.26 -0.04 2.71 3.02 2nzvG1 ASP 248 HB3 0.03 -0.00 -0.06 -0.04 2.70 2.63 2nzvG1 GLU 249 H 0.01 0.11 -0.11 -0.55 8.60 8.06 2nzvG1 GLU 249 HA 0.06 0.16 0.58 -0.75 4.29 4.34 2nzvG1 GLU 249 HB2 0.06 0.03 0.13 -0.04 2.09 2.28 2nzvG1 GLU 249 HB3 0.03 -0.04 0.14 -0.04 1.99 2.08 2nzvG1 GLU 249 HG2 0.05 0.42 0.00 -0.04 2.34 2.77 2nzvG1 GLU 249 HG3 0.10 -0.01 -0.61 -0.04 2.34 1.78 2nzvG1 MET 250 H -0.02 0.38 -0.07 -0.55 8.47 8.21 2nzvG1 MET 250 HA -0.09 0.07 0.41 -0.75 4.52 4.15 2nzvG1 MET 250 HB2 -0.09 0.06 -0.04 -0.04 2.15 2.04 2nzvG1 MET 250 HB3 -0.13 0.07 -0.07 -0.04 2.03 1.86 2nzvG1 MET 250 HG2 -0.07 0.01 -0.36 -0.04 2.63 2.17 2nzvG1 MET 250 HG3 -0.02 -0.09 -0.19 -0.04 2.56 2.23 2nzvG1 MET 250 HE3 -0.15 0.01 -0.28 -0.04 2.10 1.64 2nzvG1 ALA 251 H -0.04 0.24 -0.29 -0.55 8.40 7.76 2nzvG1 ALA 251 HA -0.08 0.14 0.31 -0.75 4.34 3.95 2nzvG1 ALA 251 HB3 -0.03 0.06 -0.08 -0.04 1.41 1.32 2nzvG1 LEU 252 H -0.02 0.14 -0.43 -0.55 8.37 7.51 2nzvG1 LEU 252 HA -0.15 0.12 0.46 -0.75 4.35 4.03 2nzvG1 LEU 252 HB2 0.10 -0.03 0.16 -0.04 1.64 1.83 2nzvG1 LEU 252 HB3 0.20 0.02 -0.05 -0.04 1.64 1.77 2nzvG1 LEU 252 HG -0.01 0.06 0.00 -0.04 1.64 1.65 2nzvG1 LEU 252 HD13 0.00 0.08 -0.13 -0.04 0.93 0.83 2nzvG1 LEU 252 HD23 0.06 -0.02 -0.01 -0.04 0.89 0.88 2nzvG1 GLY 253 H -0.19 0.19 -0.28 -0.55 8.43 7.60 2nzvG1 GLY 253 HA2 -0.85 0.00 0.37 -0.51 4.01 3.03 2nzvG1 GLY 253 HA3 -0.66 0.19 0.26 -0.51 4.01 3.29 2nzvG1 VAL 254 H -0.18 0.23 -0.48 -0.55 8.24 7.26 2nzvG1 VAL 254 HA -0.12 0.16 0.40 -0.75 4.13 3.81 2nzvG1 VAL 254 HB -0.10 0.03 0.06 -0.04 2.12 2.07 2nzvG1 VAL 254 HG13 -0.07 -0.00 -0.20 -0.04 0.97 0.65 2nzvG1 VAL 254 HG23 -0.12 0.06 -0.00 -0.04 0.95 0.84 2nzvG1 ILE 255 H -0.16 0.30 -0.31 -0.55 8.25 7.54 2nzvG1 ILE 255 HA -0.03 0.08 0.33 -0.75 4.18 3.80 2nzvG1 ILE 255 HB -0.25 -0.00 0.18 -0.04 1.89 1.78 2nzvG1 ILE 255 HG12 -0.09 0.35 0.15 -0.04 1.49 1.85 2nzvG1 ILE 255 HG13 -0.08 -0.09 -0.01 -0.04 1.21 0.99 2nzvG1 ILE 255 HG23 0.04 0.01 -0.12 -0.04 0.93 0.82 2nzvG1 ILE 255 HD13 -0.02 -0.02 -0.07 -0.04 0.88 0.74 2nzvG1 HIS 256 H -0.26 0.37 -0.05 -0.55 8.41 7.93 2nzvG1 HIS 256 HA 0.02 0.06 0.38 -0.75 4.63 4.33 2nzvG1 HIS 256 HB2 -0.01 -0.01 0.16 -0.04 3.26 3.37 2nzvG1 HIS 256 HB3 0.06 -0.02 0.02 -0.04 3.20 3.22 2nzvG1 HIS 256 HD2 0.05 0.04 0.01 -0.04 6.97 7.03 2nzvG1 HIS 256 HE1 0.13 -0.06 -0.00 -0.04 7.75 7.78 2nzvG1 GLY 257 H -0.01 0.57 -0.02 -0.55 8.43 8.42 2nzvG1 GLY 257 HA2 0.00 -0.06 0.38 -0.51 4.01 3.82 2nzvG1 GLY 257 HA3 -0.04 0.08 0.36 -0.51 4.01 3.90 2nzvG1 ALA 258 H -0.02 0.45 -0.50 -0.55 8.40 7.78 2nzvG1 ALA 258 HA -0.01 0.02 0.45 -0.75 4.34 4.05 2nzvG1 ALA 258 HB3 -0.01 0.01 0.06 -0.04 1.41 1.43 2nzvG1 GLN 259 H 0.04 0.47 -0.06 -0.55 8.47 8.38 2nzvG1 GLN 259 HA 0.03 0.29 0.66 -0.75 4.36 4.58 2nzvG1 GLN 259 HB2 0.07 -0.03 0.20 -0.04 2.15 2.36 2nzvG1 GLN 259 HB3 0.04 -0.07 0.06 -0.04 2.02 2.00 2nzvG1 GLN 259 HG2 0.04 0.01 0.03 -0.04 2.40 2.44 2nzvG1 GLN 259 HG3 0.06 0.37 -0.06 -0.04 2.39 2.72 2nzvG1 GLN 259 HE21 0.07 0.17 0.11 -0.04 6.97 7.28 2nzvG1 GLN 259 HE22 0.05 -0.08 0.07 -0.04 7.69 7.69 2nzvG1 ASP 260 H 0.03 0.61 0.05 -0.55 8.40 8.54 2nzvG1 ASP 260 HA 0.01 0.01 0.41 -0.75 4.63 4.30 2nzvG1 ASP 260 HB2 0.01 0.13 0.12 -0.04 2.71 2.93 2nzvG1 ASP 260 HB3 0.01 -0.03 -0.01 -0.04 2.70 2.63 2nzvG1 ARG 261 H 0.01 0.31 -0.37 -0.55 8.46 7.85 2nzvG1 ARG 261 HA 0.00 -0.01 0.36 -0.75 4.34 3.94 2nzvG1 ARG 261 HB2 0.00 0.15 0.02 -0.04 1.90 2.03 2nzvG1 ARG 261 HB3 0.00 -0.02 0.07 -0.04 1.80 1.81 2nzvG1 ARG 261 HG2 -0.00 -0.01 0.05 -0.04 1.67 1.67 2nzvG1 ARG 261 HG3 -0.01 0.02 0.01 -0.04 1.67 1.66 2nzvG1 ARG 261 HD2 -0.00 -0.03 0.02 -0.04 3.22 3.16 2nzvG1 ARG 261 HD3 -0.01 -0.07 -0.01 -0.04 3.22 3.10 2nzvG1 GLY 262 H 0.01 0.49 -0.73 -0.55 8.43 7.65 2nzvG1 GLY 262 HA2 0.01 0.01 0.29 -0.51 4.01 3.80 2nzvG1 GLY 262 HA3 0.01 0.06 0.70 -0.51 4.01 4.27 2nzvG1 LEU 263 H 0.01 0.27 0.15 -0.55 8.37 8.25 2nzvG1 LEU 263 HA 0.01 0.13 0.84 -0.75 4.35 4.59 2nzvG1 LEU 263 HB2 0.01 0.31 0.09 -0.04 1.64 2.01 2nzvG1 LEU 263 HB3 0.01 -0.07 0.05 -0.04 1.64 1.59 2nzvG1 LEU 263 HG 0.01 -0.02 0.00 -0.04 1.64 1.59 2nzvG1 LEU 263 HD13 0.01 0.01 -0.40 -0.04 0.93 0.51 2nzvG1 LEU 263 HD23 0.00 -0.00 -0.00 -0.04 0.89 0.85 2nzvG1 ASN 264 H 0.02 0.13 0.15 -0.55 8.53 8.28 2nzvG1 ASN 264 HA 0.02 0.25 0.95 -0.75 4.76 5.22 2nzvG1 ASN 264 HB2 0.02 -0.11 -0.09 -0.04 2.88 2.66 2nzvG1 ASN 264 HB3 0.02 0.02 0.01 -0.04 2.79 2.80 2nzvG1 ASN 264 HD21 0.01 0.04 -0.04 -0.04 7.03 7.00 2nzvG1 ASN 264 HD22 0.02 -0.03 -0.06 -0.04 7.74 7.63 2nzvG1 VAL 265 H 0.03 0.27 0.15 -0.55 8.24 8.14 2nzvG1 VAL 265 HA 0.03 0.41 0.84 -0.75 4.13 4.65 2nzvG1 VAL 265 HB 0.03 -0.04 0.13 -0.04 2.12 2.19 2nzvG1 VAL 265 HG13 0.02 0.03 0.02 -0.04 0.97 0.99 2nzvG1 VAL 265 HG23 0.01 0.02 -0.18 -0.04 0.95 0.77 2nzvG1 PRO 266 HA 0.04 0.31 0.31 -0.51 4.44 4.58 2nzvG1 PRO 266 HB2 0.06 0.02 -0.06 -0.04 2.28 2.26 2nzvG1 PRO 266 HB3 0.05 -0.01 -0.24 -0.04 2.02 1.78 2nzvG1 PRO 266 HG2 0.04 0.06 -0.08 -0.04 2.03 2.01 2nzvG1 PRO 266 HG3 0.05 0.01 -0.04 -0.04 2.03 2.00 2nzvG1 PRO 266 HD2 0.03 0.04 0.35 -0.04 3.68 4.07 2nzvG1 PRO 266 HD3 0.04 0.36 0.20 -0.04 3.65 4.21 2nzvG1 ASN 267 H 0.03 0.10 -0.35 -0.55 8.53 7.77 2nzvG1 ASN 267 HA 0.03 0.02 0.26 -0.75 4.76 4.31 2nzvG1 ASN 267 HB2 0.02 -0.10 -0.14 -0.04 2.88 2.62 2nzvG1 ASN 267 HB3 0.02 0.03 -0.04 -0.04 2.79 2.76 2nzvG1 ASN 267 HD21 0.02 -0.01 -0.03 -0.04 7.03 6.98 2nzvG1 ASN 267 HD22 0.02 0.04 0.00 -0.04 7.74 7.76 2nzvG1 ASP 268 H 0.03 0.50 -0.35 -0.55 8.40 8.03 2nzvG1 ASP 268 HA 0.03 0.10 0.90 -0.75 4.63 4.92 2nzvG1 ASP 268 HB2 0.02 0.09 0.29 -0.04 2.71 3.08 2nzvG1 ASP 268 HB3 0.02 0.03 0.12 -0.04 2.70 2.83 2nzvG1 LEU 269 H 0.02 0.09 0.15 -0.55 8.37 8.08 2nzvG1 LEU 269 HA 0.03 0.48 0.86 -0.75 4.35 4.96 2nzvG1 LEU 269 HB2 -0.03 -0.08 -0.24 -0.04 1.64 1.24 2nzvG1 LEU 269 HB3 -0.01 0.09 -0.14 -0.04 1.64 1.55 2nzvG1 LEU 269 HG -0.00 -0.04 -0.05 -0.04 1.64 1.51 2nzvG1 LEU 269 HD13 -0.03 -0.01 -0.18 -0.04 0.93 0.67 2nzvG1 LEU 269 HD23 -0.00 -0.00 -0.03 -0.04 0.89 0.82 2nzvG1 GLU 270 H -0.06 0.37 0.36 -0.55 8.60 8.73 2nzvG1 GLU 270 HA 0.02 0.10 0.91 -0.75 4.29 4.57 2nzvG1 GLU 270 HB2 -0.09 -0.03 0.17 -0.04 2.09 2.09 2nzvG1 GLU 270 HB3 0.03 -0.03 0.20 -0.04 1.99 2.15 2nzvG1 GLU 270 HG2 0.07 -0.16 -0.02 -0.04 2.34 2.19 2nzvG1 GLU 270 HG3 0.12 0.25 -0.10 -0.04 2.34 2.57 2nzvG1 ILE 271 H 0.02 0.88 0.42 -0.55 8.25 9.01 2nzvG1 ILE 271 HA 0.01 0.36 1.11 -0.75 4.18 4.91 2nzvG1 ILE 271 HB -0.00 -0.06 0.04 -0.04 1.89 1.82 2nzvG1 ILE 271 HG12 -0.03 -0.06 -0.20 -0.04 1.49 1.16 2nzvG1 ILE 271 HG13 -0.02 0.08 -0.28 -0.04 1.21 0.94 2nzvG1 ILE 271 HG23 -0.01 -0.01 -0.08 -0.04 0.93 0.78 2nzvG1 ILE 271 HD13 -0.01 -0.02 -0.28 -0.04 0.88 0.53 2nzvG1 ILE 272 H 0.08 0.43 0.31 -0.55 8.25 8.52 2nzvG1 ILE 272 HA 0.04 0.18 0.80 -0.75 4.18 4.44 2nzvG1 ILE 272 HB 0.19 -0.03 0.01 -0.04 1.89 2.03 2nzvG1 ILE 272 HG12 0.03 0.04 -0.04 -0.04 1.49 1.48 2nzvG1 ILE 272 HG13 0.05 -0.00 -0.68 -0.04 1.21 0.54 2nzvG1 ILE 272 HG23 0.08 0.01 -0.20 -0.04 0.93 0.77 2nzvG1 ILE 272 HD13 0.05 0.01 -0.18 -0.04 0.88 0.71 2nzvG1 GLY 273 H 0.02 0.73 0.28 -0.55 8.43 8.92 2nzvG1 GLY 273 HA2 0.03 0.17 0.63 -0.51 4.01 4.34 2nzvG1 GLY 273 HA3 0.03 -0.13 0.35 -0.51 4.01 3.75 2nzvG1 PHE 274 H 0.11 0.05 0.23 -0.55 8.34 8.17 2nzvG1 PHE 274 HA 0.04 0.15 0.72 -0.75 4.62 4.78 2nzvG1 PHE 274 HB2 -0.06 0.26 -0.52 -0.04 3.15 2.80 2nzvG1 PHE 274 HB3 -0.06 -0.06 -0.20 -0.04 3.06 2.70 2nzvG1 PHE 274 HD2 0.10 0.04 -0.08 -0.04 7.28 7.29 2nzvG1 PHE 274 HE2 0.15 -0.01 -0.12 -0.04 7.38 7.37 2nzvG1 PHE 274 HZ 0.13 -0.02 -0.09 -0.04 7.32 7.31 2nzvG1 ASP 275 H -0.11 0.54 0.18 -0.55 8.40 8.46 2nzvG1 ASP 275 HA 0.21 0.07 0.44 -0.75 4.63 4.60 2nzvG1 ASP 275 HB2 0.14 0.22 0.72 -0.04 2.71 3.75 2nzvG1 ASP 275 HB3 0.20 -0.04 0.16 -0.04 2.70 2.97 2nzvG1 ASN 276 H 0.02 0.01 -0.62 -0.55 8.53 7.39 2nzvG1 ASN 276 HA -0.00 0.03 0.18 -0.75 4.76 4.22 2nzvG1 ASN 276 HB2 -0.04 0.01 -0.40 -0.04 2.88 2.40 2nzvG1 ASN 276 HB3 -0.00 0.08 -0.11 -0.04 2.79 2.72 2nzvG1 ASN 276 HD21 -0.01 0.05 -0.04 -0.04 7.03 7.00 2nzvG1 ASN 276 HD22 -0.01 -0.05 -0.06 -0.04 7.74 7.58 2nzvG1 THR 277 H 0.05 -0.08 -0.24 -0.55 8.28 7.46 2nzvG1 THR 277 HA 0.04 0.20 0.40 -0.75 4.39 4.28 2nzvG1 THR 277 HB 0.05 -0.04 0.17 -0.04 4.32 4.45 2nzvG1 THR 277 HG23 0.10 0.01 0.05 -0.04 1.22 1.34 2nzvG1 ARG 278 H 0.02 0.14 0.16 -0.55 8.46 8.23 2nzvG1 ARG 278 HA 0.01 0.24 0.47 -0.75 4.34 4.31 2nzvG1 ARG 278 HB2 0.01 -0.04 0.09 -0.04 1.90 1.93 2nzvG1 ARG 278 HB3 0.01 0.09 0.09 -0.04 1.80 1.95 2nzvG1 ARG 278 HG2 0.01 0.10 0.03 -0.04 1.67 1.76 2nzvG1 ARG 278 HG3 0.01 -0.08 0.09 -0.04 1.67 1.65 2nzvG1 ARG 278 HD2 0.00 0.03 0.02 -0.04 3.22 3.24 2nzvG1 ARG 278 HD3 0.01 -0.02 0.03 -0.04 3.22 3.19 2nzvG1 LEU 279 H 0.02 -0.00 -0.26 -0.55 8.37 7.59 2nzvG1 LEU 279 HA 0.02 0.16 0.36 -0.75 4.35 4.13 2nzvG1 LEU 279 HB2 0.03 -0.08 -0.15 -0.04 1.64 1.39 2nzvG1 LEU 279 HB3 0.03 0.13 -0.01 -0.04 1.64 1.75 2nzvG1 LEU 279 HG 0.02 0.09 0.02 -0.04 1.64 1.72 2nzvG1 LEU 279 HD13 0.03 -0.06 0.01 -0.04 0.93 0.87 2nzvG1 LEU 279 HD23 0.03 0.01 0.01 -0.04 0.89 0.90 2nzvG1 SER 280 H 0.02 0.24 -0.80 -0.55 8.46 7.37 2nzvG1 SER 280 HA 0.01 -0.02 0.28 -0.75 4.49 4.01 2nzvG1 SER 280 HB2 0.01 -0.21 -0.06 -0.04 3.95 3.65 2nzvG1 SER 280 HB3 0.01 0.16 -0.05 -0.04 3.93 4.01 2nzvG1 THR 281 H 0.01 0.39 -0.36 -0.55 8.28 7.77 2nzvG1 THR 281 HA 0.02 0.16 0.79 -0.75 4.39 4.60 2nzvG1 THR 281 HB 0.01 0.02 0.09 -0.04 4.32 4.40 2nzvG1 THR 281 HG23 0.01 -0.00 -0.04 -0.04 1.22 1.14 2nzvG1 MET 282 H 0.02 0.09 -0.17 -0.55 8.47 7.86 2nzvG1 MET 282 HA 0.02 0.20 0.67 -0.75 4.52 4.66 2nzvG1 MET 282 HB2 0.02 -0.08 0.15 -0.04 2.15 2.21 2nzvG1 MET 282 HB3 0.02 0.01 0.19 -0.04 2.03 2.21 2nzvG1 MET 282 HG2 0.01 0.06 -0.07 -0.04 2.63 2.60 2nzvG1 MET 282 HG3 0.01 0.14 0.01 -0.04 2.56 2.68 2nzvG1 MET 282 HE3 0.01 -0.03 -0.16 -0.04 2.10 1.88 2nzvG1 VAL 283 H 0.03 0.21 -0.63 -0.55 8.24 7.30 2nzvG1 VAL 283 HA 0.09 0.18 0.94 -0.75 4.13 4.60 2nzvG1 VAL 283 HB 0.04 0.29 -0.03 -0.04 2.12 2.38 2nzvG1 VAL 283 HG13 0.05 -0.03 0.01 -0.04 0.97 0.95 2nzvG1 VAL 283 HG23 0.02 0.00 -0.08 -0.04 0.95 0.85 2nzvG1 ARG 284 H 0.11 0.21 0.03 -0.55 8.46 8.25 2nzvG1 ARG 284 HA 0.04 0.02 0.60 -0.75 4.34 4.24 2nzvG1 ARG 284 HB2 0.05 -0.03 -0.19 -0.04 1.90 1.70 2nzvG1 ARG 284 HB3 0.06 0.01 0.11 -0.04 1.80 1.94 2nzvG1 ARG 284 HG2 0.03 -0.00 -0.02 -0.04 1.67 1.64 2nzvG1 ARG 284 HG3 0.03 -0.01 0.04 -0.04 1.67 1.69 2nzvG1 ARG 284 HD2 0.02 -0.03 -0.05 -0.04 3.22 3.13 2nzvG1 ARG 284 HD3 0.02 -0.02 0.00 -0.04 3.22 3.18 2nzvG1 PRO 285 HA 0.03 0.09 0.26 -0.51 4.44 4.32 2nzvG1 PRO 285 HB2 0.03 -0.12 -0.27 -0.04 2.28 1.88 2nzvG1 PRO 285 HB3 0.03 0.15 0.01 -0.04 2.02 2.17 2nzvG1 PRO 285 HG2 0.03 -0.11 -0.27 -0.04 2.03 1.63 2nzvG1 PRO 285 HG3 0.03 0.16 -0.18 -0.04 2.03 2.00 2nzvG1 PRO 285 HD2 0.04 0.07 0.25 -0.04 3.68 4.00 2nzvG1 PRO 285 HD3 0.04 0.18 0.25 -0.04 3.65 4.07 2nzvG1 GLN 286 H 0.03 0.13 0.07 -0.55 8.47 8.15 2nzvG1 GLN 286 HA 0.02 0.17 0.67 -0.75 4.36 4.46 2nzvG1 GLN 286 HB2 0.03 -0.15 0.22 -0.04 2.15 2.21 2nzvG1 GLN 286 HB3 0.02 0.13 0.10 -0.04 2.02 2.22 2nzvG1 GLN 286 HG2 0.02 0.21 0.02 -0.04 2.40 2.62 2nzvG1 GLN 286 HG3 0.02 -0.05 0.09 -0.04 2.39 2.41 2nzvG1 GLN 286 HE21 0.02 -0.13 0.12 -0.04 6.97 6.94 2nzvG1 GLN 286 HE22 0.02 0.33 0.22 -0.04 7.69 8.22 2nzvG1 LEU 287 H 0.01 0.26 0.19 -0.55 8.37 8.28 2nzvG1 LEU 287 HA 0.01 -0.01 0.31 -0.75 4.35 3.90 2nzvG1 LEU 287 HB2 0.00 0.09 0.09 -0.04 1.64 1.78 2nzvG1 LEU 287 HB3 0.00 -0.09 0.08 -0.04 1.64 1.59 2nzvG1 LEU 287 HG -0.00 -0.06 -0.11 -0.04 1.64 1.42 2nzvG1 LEU 287 HD13 -0.00 -0.00 -0.34 -0.04 0.93 0.55 2nzvG1 LEU 287 HD23 -0.01 0.02 -0.13 -0.04 0.89 0.74 2nzvG1 THR 288 H 0.00 0.22 0.18 -0.55 8.28 8.13 2nzvG1 THR 288 HA -0.06 0.34 0.85 -0.75 4.39 4.77 2nzvG1 THR 288 HB -0.01 0.16 0.19 -0.04 4.32 4.61 2nzvG1 THR 288 HG23 -0.29 0.01 -0.33 -0.04 1.22 0.57 2nzvG1 SER 289 H -0.12 0.38 0.21 -0.55 8.46 8.39 2nzvG1 SER 289 HA -0.05 0.20 0.92 -0.75 4.49 4.80 2nzvG1 SER 289 HB2 -0.02 0.04 -0.34 -0.04 3.95 3.59 2nzvG1 SER 289 HB3 -0.05 0.09 -0.10 -0.04 3.93 3.83 2nzvG1 VAL 290 H -0.16 0.34 -0.12 -0.55 8.24 7.75 2nzvG1 VAL 290 HA -0.19 0.20 0.66 -0.75 4.13 4.05 2nzvG1 VAL 290 HB -1.23 -0.22 0.10 -0.04 2.12 0.73 2nzvG1 VAL 290 HG13 -0.23 0.02 -0.11 -0.04 0.97 0.62 2nzvG1 VAL 290 HG23 -0.03 0.12 0.00 -0.04 0.95 1.00 2nzvG1 VAL 291 H -0.09 1.14 0.39 -0.55 8.24 9.13 2nzvG1 VAL 291 HA -0.06 -0.01 0.34 -0.75 4.13 3.65 2nzvG1 VAL 291 HB -0.01 -0.17 0.07 -0.04 2.12 1.98 2nzvG1 VAL 291 HG13 0.01 0.01 -0.28 -0.04 0.97 0.67 2nzvG1 VAL 291 HG23 -0.04 0.04 -0.22 -0.04 0.95 0.69 2nzvG1 GLN 292 H 0.03 0.34 0.04 -0.55 8.47 8.32 2nzvG1 GLN 292 HA 0.11 0.27 0.74 -0.75 4.36 4.73 2nzvG1 GLN 292 HB2 0.26 0.03 -0.06 -0.04 2.15 2.33 2nzvG1 GLN 292 HB3 0.22 -0.11 0.20 -0.04 2.02 2.29 2nzvG1 GLN 292 HG2 0.19 -0.07 -0.30 -0.04 2.40 2.18 2nzvG1 GLN 292 HG3 0.27 0.09 -0.06 -0.04 2.39 2.65 2nzvG1 GLN 292 HE21 0.58 0.01 -0.01 -0.04 6.97 7.50 2nzvG1 GLN 292 HE22 0.31 0.02 -0.08 -0.04 7.69 7.90 2nzvG1 PRO 293 HA 0.05 0.14 0.64 -0.51 4.44 4.75 2nzvG1 PRO 293 HB2 0.06 -0.11 0.14 -0.04 2.28 2.33 2nzvG1 PRO 293 HB3 0.04 0.12 0.02 -0.04 2.02 2.16 2nzvG1 PRO 293 HG2 0.05 -0.07 0.06 -0.04 2.03 2.03 2nzvG1 PRO 293 HG3 0.05 0.17 0.01 -0.04 2.03 2.22 2nzvG1 PRO 293 HD2 0.09 0.10 0.09 -0.04 3.68 3.92 2nzvG1 PRO 293 HD3 0.07 0.28 0.01 -0.04 3.65 3.96 2nzvG1 MET 294 H 0.02 0.42 0.10 -0.55 8.47 8.46 2nzvG1 MET 294 HA -0.08 0.05 0.24 -0.75 4.52 3.97 2nzvG1 MET 294 HB2 -0.08 0.02 0.14 -0.04 2.15 2.18 2nzvG1 MET 294 HB3 -0.19 0.04 -0.23 -0.04 2.03 1.61 2nzvG1 MET 294 HG2 -0.82 0.03 0.07 -0.04 2.63 1.86 2nzvG1 MET 294 HG3 -0.68 0.00 0.00 -0.04 2.56 1.85 2nzvG1 MET 294 HE3 0.12 0.05 0.09 -0.04 2.10 2.31 2nzvG1 TYR 295 H 0.11 0.14 -0.09 -0.55 8.29 7.90 2nzvG1 TYR 295 HA -0.05 0.11 0.52 -0.75 4.56 4.38 2nzvG1 TYR 295 HB2 -0.03 0.06 0.13 -0.04 3.06 3.18 2nzvG1 TYR 295 HB3 -0.02 -0.02 0.06 -0.04 2.98 2.96 2nzvG1 TYR 295 HD2 -0.02 0.01 -0.21 -0.04 7.15 6.89 2nzvG1 TYR 295 HE2 -0.01 0.06 -0.11 -0.04 6.85 6.75 2nzvG1 ASP 296 H 0.13 0.09 -0.40 -0.55 8.40 7.68 2nzvG1 ASP 296 HA 0.10 0.03 0.38 -0.75 4.63 4.39 2nzvG1 ASP 296 HB2 0.05 0.16 0.12 -0.04 2.71 2.99 2nzvG1 ASP 296 HB3 0.05 0.01 0.03 -0.04 2.70 2.75 2nzvG1 ILE 297 H 0.01 0.55 -0.07 -0.55 8.25 8.18 2nzvG1 ILE 297 HA -0.00 0.01 0.28 -0.75 4.18 3.71 2nzvG1 ILE 297 HB -0.03 0.06 0.02 -0.04 1.89 1.89 2nzvG1 ILE 297 HG12 0.02 0.46 -0.17 -0.04 1.49 1.77 2nzvG1 ILE 297 HG13 0.05 -0.14 -0.23 -0.04 1.21 0.85 2nzvG1 ILE 297 HG23 0.03 -0.04 -0.08 -0.04 0.93 0.80 2nzvG1 ILE 297 HD13 0.05 -0.03 -0.19 -0.04 0.88 0.66 2nzvG1 GLY 298 H -0.09 0.49 -0.33 -0.55 8.43 7.95 2nzvG1 GLY 298 HA2 -0.10 -0.01 0.36 -0.51 4.01 3.75 2nzvG1 GLY 298 HA3 -0.20 -0.00 0.41 -0.51 4.01 3.71 2nzvG1 ALA 299 H -0.35 0.62 0.13 -0.55 8.40 8.26 2nzvG1 ALA 299 HA -0.21 0.08 0.21 -0.75 4.34 3.67 2nzvG1 ALA 299 HB3 -0.12 -0.01 0.12 -0.04 1.41 1.36 2nzvG1 VAL 300 H -0.05 0.47 -0.02 -0.55 8.24 8.09 2nzvG1 VAL 300 HA -0.05 -0.03 0.39 -0.75 4.13 3.69 2nzvG1 VAL 300 HB -0.02 0.12 0.04 -0.04 2.12 2.23 2nzvG1 VAL 300 HG13 -0.01 -0.02 -0.09 -0.04 0.97 0.81 2nzvG1 VAL 300 HG23 -0.00 -0.01 0.05 -0.04 0.95 0.95 2nzvG1 ALA 301 H -0.06 0.58 -0.38 -0.55 8.40 7.99 2nzvG1 ALA 301 HA -0.03 -0.04 0.47 -0.75 4.34 3.99 2nzvG1 ALA 301 HB3 -0.04 0.03 0.13 -0.04 1.41 1.50 2nzvG1 MET 302 H -0.11 0.52 -0.06 -0.55 8.47 8.27 2nzvG1 MET 302 HA -0.12 0.07 0.47 -0.75 4.52 4.19 2nzvG1 MET 302 HB2 -0.13 -0.08 -0.00 -0.04 2.15 1.90 2nzvG1 MET 302 HB3 -0.16 0.14 0.12 -0.04 2.03 2.09 2nzvG1 MET 302 HG2 -0.16 -0.01 -0.14 -0.04 2.63 2.27 2nzvG1 MET 302 HG3 -0.28 0.02 -0.43 -0.04 2.56 1.83 2nzvG1 MET 302 HE3 -0.10 -0.01 -0.14 -0.04 2.10 1.81 2nzvG1 ARG 303 H -0.16 0.65 0.06 -0.55 8.46 8.45 2nzvG1 ARG 303 HA -0.39 0.06 0.29 -0.75 4.34 3.55 2nzvG1 ARG 303 HB2 -0.19 0.01 0.01 -0.04 1.90 1.69 2nzvG1 ARG 303 HB3 -0.10 0.02 0.09 -0.04 1.80 1.77 2nzvG1 ARG 303 HG2 -0.03 -0.02 -0.07 -0.04 1.67 1.50 2nzvG1 ARG 303 HG3 -0.05 0.01 -0.33 -0.04 1.67 1.25 2nzvG1 ARG 303 HD2 -0.15 -0.06 0.05 -0.04 3.22 3.02 2nzvG1 ARG 303 HD3 -0.21 0.03 -0.02 -0.04 3.22 2.98 2nzvG1 LEU 304 H -0.06 0.56 -0.27 -0.55 8.37 8.05 2nzvG1 LEU 304 HA 0.00 -0.01 0.44 -0.75 4.35 4.03 2nzvG1 LEU 304 HB2 0.01 -0.03 0.10 -0.04 1.64 1.68 2nzvG1 LEU 304 HB3 0.00 0.15 0.10 -0.04 1.64 1.86 2nzvG1 LEU 304 HG 0.18 -0.08 -0.01 -0.04 1.64 1.69 2nzvG1 LEU 304 HD13 0.08 -0.02 0.05 -0.04 0.93 1.00 2nzvG1 LEU 304 HD23 0.07 0.02 -0.20 -0.04 0.89 0.74 2nzvG1 LEU 305 H -0.06 0.26 -0.52 -0.55 8.37 7.50 2nzvG1 LEU 305 HA 0.04 0.00 0.38 -0.75 4.35 4.02 2nzvG1 LEU 305 HB2 -0.06 0.06 0.11 -0.04 1.64 1.70 2nzvG1 LEU 305 HB3 -0.13 0.15 0.12 -0.04 1.64 1.75 2nzvG1 LEU 305 HG -0.10 0.00 -0.23 -0.04 1.64 1.28 2nzvG1 LEU 305 HD13 -0.05 0.01 -0.14 -0.04 0.93 0.71 2nzvG1 LEU 305 HD23 -0.08 -0.03 -0.21 -0.04 0.89 0.52 2nzvG1 THR 306 H -0.16 0.54 -0.15 -0.55 8.28 7.96 2nzvG1 THR 306 HA -0.19 0.03 0.29 -0.75 4.39 3.77 2nzvG1 THR 306 HB 0.07 0.00 -0.02 -0.04 4.32 4.33 2nzvG1 THR 306 HG23 -0.57 0.05 -0.15 -0.04 1.22 0.50 2nzvG1 LYS 307 H -0.01 0.48 -0.22 -0.55 8.42 8.12 2nzvG1 LYS 307 HA 0.04 0.01 0.30 -0.75 4.32 3.92 2nzvG1 LYS 307 HB2 -0.01 0.17 0.15 -0.04 1.87 2.14 2nzvG1 LYS 307 HB3 -0.06 -0.12 -0.13 -0.04 1.79 1.44 2nzvG1 LYS 307 HG2 0.03 -0.03 -0.01 -0.04 1.46 1.40 2nzvG1 LYS 307 HG3 0.01 0.20 0.04 -0.04 1.46 1.66 2nzvG1 LYS 307 HD2 -0.01 -0.03 -0.02 -0.04 1.69 1.59 2nzvG1 LYS 307 HD3 -0.03 0.00 -0.08 -0.04 1.68 1.54 2nzvG1 LYS 307 HE2 0.03 0.01 -0.02 -0.04 2.99 2.97 2nzvG1 LYS 307 HE3 0.02 -0.01 -0.07 -0.04 2.99 2.89 2nzvG1 TYR 308 H 0.14 0.62 -0.05 -0.55 8.29 8.45 2nzvG1 TYR 308 HA -0.00 -0.04 0.34 -0.75 4.56 4.11 2nzvG1 TYR 308 HB2 -0.03 0.09 0.19 -0.04 3.06 3.27 2nzvG1 TYR 308 HB3 -0.01 0.03 -0.00 -0.04 2.98 2.95 2nzvG1 TYR 308 HD2 -0.01 0.06 0.04 -0.04 7.15 7.20 2nzvG1 TYR 308 HE2 -0.01 -0.04 0.04 -0.04 6.85 6.80 2nzvG1 MET 309 H 0.08 0.53 -0.43 -0.55 8.47 8.10 2nzvG1 MET 309 HA 0.09 0.12 0.69 -0.75 4.52 4.66 2nzvG1 MET 309 HB2 -0.00 0.04 0.09 -0.04 2.15 2.24 2nzvG1 MET 309 HB3 0.12 -0.08 -0.03 -0.04 2.03 2.00 2nzvG1 MET 309 HG2 0.04 0.11 -0.01 -0.04 2.63 2.73 2nzvG1 MET 309 HG3 -0.01 0.09 -0.06 -0.04 2.56 2.53 2nzvG1 MET 309 HE3 -0.52 -0.02 -0.25 -0.04 2.10 1.27 2nzvG1 ASN 310 H 0.08 0.75 0.09 -0.55 8.53 8.90 2nzvG1 ASN 310 HA 0.10 0.09 0.71 -0.75 4.76 4.90 2nzvG1 ASN 310 HB2 0.11 0.06 0.03 -0.04 2.88 3.04 2nzvG1 ASN 310 HB3 0.08 -0.06 0.11 -0.04 2.79 2.88 2nzvG1 ASN 310 HD21 0.37 0.02 -0.01 -0.04 7.03 7.36 2nzvG1 ASN 310 HD22 0.24 -0.06 -0.04 -0.04 7.74 7.84 2nzvG1 LYS 311 H 0.06 0.14 -0.68 -0.55 8.42 7.39 2nzvG1 LYS 311 HA -0.00 0.01 0.30 -0.75 4.32 3.88 2nzvG1 LYS 311 HB2 0.03 0.04 -0.18 -0.04 1.87 1.71 2nzvG1 LYS 311 HB3 0.01 -0.05 0.17 -0.04 1.79 1.87 2nzvG1 LYS 311 HG2 0.03 0.01 0.05 -0.04 1.46 1.51 2nzvG1 LYS 311 HG3 0.05 0.10 -0.08 -0.04 1.46 1.48 2nzvG1 LYS 311 HD2 0.03 -0.02 -0.01 -0.04 1.69 1.64 2nzvG1 LYS 311 HD3 0.02 -0.05 0.03 -0.04 1.68 1.63 2nzvG1 LYS 311 HE2 0.04 -0.01 0.04 -0.04 2.99 3.01 2nzvG1 LYS 311 HE3 0.04 0.06 0.03 -0.04 2.99 3.08 2nzvG1 GLU 312 H -0.03 0.21 -0.14 -0.55 8.60 8.10 2nzvG1 GLU 312 HA -0.00 0.16 0.64 -0.75 4.29 4.33 2nzvG1 GLU 312 HB2 -0.02 -0.09 0.04 -0.04 2.09 1.98 2nzvG1 GLU 312 HB3 -0.00 -0.06 0.13 -0.04 1.99 2.02 2nzvG1 GLU 312 HG2 0.03 0.11 -0.14 -0.04 2.34 2.30 2nzvG1 GLU 312 HG3 0.04 0.07 -0.17 -0.04 2.34 2.25 2nzvG1 THR 313 H -0.04 0.17 0.04 -0.55 8.28 7.90 2nzvG1 THR 313 HA -0.09 0.22 0.83 -0.75 4.39 4.59 2nzvG1 THR 313 HB -0.03 -0.06 0.04 -0.04 4.32 4.23 2nzvG1 THR 313 HG23 -0.04 0.02 -0.13 -0.04 1.22 1.02 2nzvG1 VAL 314 H -0.19 0.23 -0.03 -0.55 8.24 7.70 2nzvG1 VAL 314 HA -0.10 0.04 0.51 -0.75 4.13 3.83 2nzvG1 VAL 314 HB -0.23 0.04 0.01 -0.04 2.12 1.90 2nzvG1 VAL 314 HG13 -0.04 -0.05 -0.38 -0.04 0.97 0.47 2nzvG1 VAL 314 HG23 -0.79 0.02 -0.07 -0.04 0.95 0.06 2nzvG1 ASP 315 H -0.04 0.16 0.18 -0.55 8.40 8.15 2nzvG1 ASP 315 HA -0.02 0.08 0.39 -0.75 4.63 4.32 2nzvG1 ASP 315 HB2 -0.01 0.03 0.11 -0.04 2.71 2.79 2nzvG1 ASP 315 HB3 -0.01 -0.05 0.18 -0.04 2.70 2.78 2nzvG1 SER 316 H -0.01 0.18 -0.06 -0.55 8.46 8.02 2nzvG1 SER 316 HA 0.01 0.18 0.59 -0.75 4.49 4.51 2nzvG1 SER 316 HB2 0.00 0.08 -0.10 -0.04 3.95 3.90 2nzvG1 SER 316 HB3 0.01 -0.05 -0.05 -0.04 3.93 3.79 2nzvG1 SER 317 H 0.05 0.23 0.07 -0.55 8.46 8.27 2nzvG1 SER 317 HA 0.13 0.14 0.65 -0.75 4.49 4.66 2nzvG1 SER 317 HB2 0.32 0.02 0.14 -0.04 3.95 4.39 2nzvG1 SER 317 HB3 0.24 0.04 0.04 -0.04 3.93 4.21 2nzvG1 ILE 318 H 0.03 0.07 -0.17 -0.55 8.25 7.62 2nzvG1 ILE 318 HA 0.02 0.17 0.94 -0.75 4.18 4.56 2nzvG1 ILE 318 HB 0.01 0.07 0.00 -0.04 1.89 1.94 2nzvG1 ILE 318 HG12 -0.00 0.10 0.01 -0.04 1.49 1.56 2nzvG1 ILE 318 HG13 0.00 -0.02 -0.01 -0.04 1.21 1.13 2nzvG1 ILE 318 HG23 0.01 -0.02 0.11 -0.04 0.93 0.99 2nzvG1 ILE 318 HD13 -0.01 -0.02 -0.19 -0.04 0.88 0.63 2nzvG1 VAL 319 H 0.01 0.38 0.07 -0.55 8.24 8.15 2nzvG1 VAL 319 HA 0.00 0.19 0.79 -0.75 4.13 4.35 2nzvG1 VAL 319 HB -0.00 -0.10 -0.00 -0.04 2.12 1.98 2nzvG1 VAL 319 HG13 0.00 -0.05 -0.00 -0.04 0.97 0.88 2nzvG1 VAL 319 HG23 0.01 0.05 -0.19 -0.04 0.95 0.78 2nzvG1 GLN 320 H -0.01 0.17 -0.04 -0.55 8.47 8.05 2nzvG1 GLN 320 HA -0.04 0.09 0.44 -0.75 4.36 4.09 2nzvG1 GLN 320 HB2 -0.02 0.04 -0.44 -0.04 2.15 1.68 2nzvG1 GLN 320 HB3 -0.01 0.00 0.05 -0.04 2.02 2.02 2nzvG1 GLN 320 HG2 -0.08 -0.16 -0.62 -0.04 2.40 1.50 2nzvG1 GLN 320 HG3 -0.10 0.06 -0.23 -0.04 2.39 2.09 2nzvG1 GLN 320 HE21 -0.04 -0.01 -0.07 -0.04 6.97 6.81 2nzvG1 GLN 320 HE22 -0.09 0.02 -0.10 -0.04 7.69 7.48 2nzvG1 LEU 321 H -0.00 0.22 0.18 -0.55 8.37 8.22 2nzvG1 LEU 321 HA 0.01 0.06 0.43 -0.75 4.35 4.10 2nzvG1 LEU 321 HB2 0.03 0.00 0.05 -0.04 1.64 1.68 2nzvG1 LEU 321 HB3 0.02 0.03 0.12 -0.04 1.64 1.77 2nzvG1 LEU 321 HG 0.01 0.00 0.04 -0.04 1.64 1.65 2nzvG1 LEU 321 HD13 0.02 0.01 -0.12 -0.04 0.93 0.79 2nzvG1 LEU 321 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 2nzvG1 PRO 322 HA 0.03 0.06 0.42 -0.51 4.44 4.44 2nzvG1 PRO 322 HB2 0.01 -0.02 -0.03 -0.04 2.28 2.19 2nzvG1 PRO 322 HB3 -0.02 0.06 0.12 -0.04 2.02 2.14 2nzvG1 PRO 322 HG2 0.00 0.04 0.08 -0.04 2.03 2.11 2nzvG1 PRO 322 HG3 0.00 0.08 0.12 -0.04 2.03 2.19 2nzvG1 PRO 322 HD2 0.02 0.06 0.18 -0.04 3.68 3.90 2nzvG1 PRO 322 HD3 0.01 0.13 0.25 -0.04 3.65 4.00 2nzvG1 HIS 323 H -0.14 0.29 0.24 -0.55 8.41 8.25 2nzvG1 HIS 323 HA -0.00 0.13 0.58 -0.75 4.63 4.58 2nzvG1 HIS 323 HB2 -0.01 0.16 0.19 -0.04 3.26 3.56 2nzvG1 HIS 323 HB3 0.02 0.01 -0.13 -0.04 3.20 3.06 2nzvG1 HIS 323 HD2 -0.02 0.01 -0.24 -0.04 6.97 6.68 2nzvG1 HIS 323 HE1 0.02 -0.00 -0.05 -0.04 7.75 7.67 2nzvG1 ARG 324 H 0.06 0.26 0.26 -0.55 8.46 8.48 2nzvG1 ARG 324 HA -0.06 0.16 0.53 -0.75 4.34 4.22 2nzvG1 ARG 324 HB2 -0.01 0.02 0.20 -0.04 1.90 2.07 2nzvG1 ARG 324 HB3 -0.05 0.09 -0.20 -0.04 1.80 1.60 2nzvG1 ARG 324 HG2 -0.01 -0.09 -0.16 -0.04 1.67 1.37 2nzvG1 ARG 324 HG3 -0.02 -0.00 -0.39 -0.04 1.67 1.21 2nzvG1 ARG 324 HD2 0.01 0.08 -0.01 -0.04 3.22 3.27 2nzvG1 ARG 324 HD3 -0.00 -0.01 -0.08 -0.04 3.22 3.08 2nzvG1 ILE 325 H -0.01 0.28 0.19 -0.55 8.25 8.16 2nzvG1 ILE 325 HA -0.20 0.16 0.95 -0.75 4.18 4.33 2nzvG1 ILE 325 HB -0.19 0.04 0.03 -0.04 1.89 1.73 2nzvG1 ILE 325 HG12 -0.12 -0.03 -0.21 -0.04 1.49 1.10 2nzvG1 ILE 325 HG13 0.00 -0.09 -0.22 -0.04 1.21 0.86 2nzvG1 ILE 325 HG23 -1.17 0.00 -0.29 -0.04 0.93 -0.56 2nzvG1 ILE 325 HD13 0.06 0.03 -0.20 -0.04 0.88 0.74 2nzvG1 GLU 326 H -0.26 0.51 0.15 -0.55 8.60 8.45 2nzvG1 GLU 326 HA -0.04 0.21 0.89 -0.75 4.29 4.60 2nzvG1 GLU 326 HB2 -0.08 -0.06 0.18 -0.04 2.09 2.09 2nzvG1 GLU 326 HB3 -0.04 0.05 0.06 -0.04 1.99 2.02 2nzvG1 GLU 326 HG2 -0.04 -0.05 -0.24 -0.04 2.34 1.97 2nzvG1 GLU 326 HG3 -0.02 -0.03 -0.06 -0.04 2.34 2.19 2nzvG1 PHE 327 H 0.19 0.22 -0.04 -0.55 8.34 8.16 2nzvG1 PHE 327 HA 0.01 -0.05 0.51 -0.75 4.62 4.34 2nzvG1 PHE 327 HB2 0.01 -0.01 0.18 -0.04 3.15 3.29 2nzvG1 PHE 327 HB3 0.01 0.17 0.03 -0.04 3.06 3.24 2nzvG1 PHE 327 HD2 0.01 0.06 -0.04 -0.04 7.28 7.27 2nzvG1 PHE 327 HE2 0.01 0.03 -0.07 -0.04 7.38 7.31 2nzvG1 PHE 327 HZ 0.01 0.03 -0.06 -0.04 7.32 7.26 2nzvG1 ARG 328 H 0.04 0.02 0.18 -0.55 8.46 8.14 2nzvG1 ARG 328 HA 0.06 0.16 0.75 -0.75 4.34 4.55 2nzvG1 ARG 328 HB2 0.02 0.17 -0.14 -0.04 1.90 1.91 2nzvG1 ARG 328 HB3 0.03 -0.14 0.16 -0.04 1.80 1.81 2nzvG1 ARG 328 HG2 0.03 -0.02 -0.15 -0.04 1.67 1.49 2nzvG1 ARG 328 HG3 0.01 0.06 -0.14 -0.04 1.67 1.55 2nzvG1 ARG 328 HD2 0.01 0.34 -0.15 -0.04 3.22 3.38 2nzvG1 ARG 328 HD3 0.01 -0.07 -0.08 -0.04 3.22 3.04 2nzvG1 GLN 329 H 0.04 0.46 0.26 -0.55 8.47 8.68 2nzvG1 GLN 329 HA 0.06 0.41 1.14 -0.75 4.36 5.21 2nzvG1 GLN 329 HB2 0.03 -0.18 0.08 -0.04 2.15 2.04 2nzvG1 GLN 329 HB3 0.04 0.06 0.14 -0.04 2.02 2.22 2nzvG1 GLN 329 HG2 0.03 0.05 -0.01 -0.04 2.40 2.43 2nzvG1 GLN 329 HG3 0.04 0.10 -0.37 -0.04 2.39 2.13 2nzvG1 GLN 329 HE21 0.03 0.03 0.06 -0.04 6.97 7.05 2nzvG1 GLN 329 HE22 0.04 0.02 -0.04 -0.04 7.69 7.67 2nzvG1 SER 330 H 0.04 0.26 -0.04 -0.55 8.46 8.17 2nzvG1 SER 330 HA 0.03 0.13 0.30 -0.75 4.49 4.19 2nzvG1 SER 330 HB2 0.01 0.01 0.12 -0.04 3.95 4.05 2nzvG1 SER 330 HB3 0.02 -0.02 -0.20 -0.04 3.93 3.68 2nzvG1 THR 331 H 0.07 0.10 -1.21 -0.55 8.28 6.69 2nzvG1 THR 331 HA 0.07 0.05 0.54 -0.75 4.39 4.30 2nzvG1 THR 331 HB 0.07 0.20 -0.21 -0.04 4.32 4.34 2nzvG1 THR 331 HG23 0.18 -0.06 -0.10 -0.04 1.22 1.21 2nzvG1 LYS 332 H 0.08 0.15 -0.04 -0.55 8.42 8.06 2nzvG1 LYS 332 HA 0.05 0.19 0.48 -0.75 4.32 4.29 2nzvG1 LYS 332 HB2 0.03 0.02 0.05 -0.04 1.87 1.93 2nzvG1 LYS 332 HB3 0.04 -0.02 0.00 -0.04 1.79 1.78 2nzvG1 LYS 332 HG2 0.07 -0.01 -0.02 -0.04 1.46 1.46 2nzvG1 LYS 332 HG3 0.04 0.06 0.01 -0.04 1.46 1.53 2nzvG1 LYS 332 HD2 0.03 -0.06 -0.04 -0.04 1.69 1.58 2nzvG1 LYS 332 HD3 0.04 0.03 -0.20 -0.04 1.68 1.51 2nzvG1 LYS 332 HE2 0.02 -0.00 -0.02 -0.04 2.99 2.94 2nzvG1 LYS 332 HE3 0.02 0.10 -0.03 -0.04 2.99 3.04