============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 19 0.900 79.834 51.582 65.754 -99.200 -91.000 PHE 21 1.000 71.127 56.350 68.109 -99.200 -91.000 PHE 32 1.000 44.980 68.093 82.307 -99.200 -91.000 PHE 50 1.000 71.243 51.288 69.283 -99.200 -91.000 TYR 52 0.840 63.564 51.959 68.576 -99.200 -91.000 PHE 59 1.000 63.118 57.802 70.756 -99.200 -91.000 PHE 63 1.000 52.333 63.721 76.909 -99.200 -91.000 TYR 66 0.840 52.433 64.033 89.177 -99.200 -91.000 TYR 73 0.840 59.902 70.205 89.196 -99.200 -91.000 PHE 74 1.000 57.668 65.872 86.162 -99.200 -91.000 PHE 78 1.000 55.579 71.995 79.668 -99.200 -91.000 TYR 82 0.840 59.922 68.485 82.073 -99.200 -91.000 TRP 84 1.040 63.746 64.155 80.631 -99.200 -91.000 TRP6 84 1.020 65.154 62.422 79.839 -99.200 -91.000 TYR 90 0.840 70.812 49.328 80.192 -99.200 -91.000 TYR 109 0.840 53.580 69.001 76.188 -99.200 -91.000 TYR 111 0.840 59.128 65.160 74.030 -99.200 -91.000 PHE 115 1.000 70.438 56.238 74.425 -99.200 -91.000 PHE 120 1.000 74.591 49.351 76.461 -99.200 -91.000 TRP 134 1.040 62.561 49.419 78.791 -99.200 -91.000 TRP6 134 1.020 64.475 49.219 80.169 -99.200 -91.000 TYR 142 0.840 65.291 61.323 95.535 -99.200 -91.000 HIS 163 0.900 62.443 39.653 84.064 -99.200 -91.000 TYR 164 0.840 70.882 44.171 80.245 -99.200 -91.000 PHE 168 1.000 65.752 53.778 83.188 -99.200 -91.000 TYR 172 0.840 62.148 63.892 86.083 -99.200 -91.000 TYR 183 0.840 60.182 59.179 98.462 -99.200 -91.000 HIS 184 0.900 55.811 62.866 93.339 -99.200 -91.000 PHE 185 1.000 56.038 55.923 96.475 -99.200 -91.000 HIS 188 0.900 57.046 56.102 84.661 -99.200 -91.000 HIS 189 0.900 52.579 48.023 81.046 -99.200 -91.000 HIS 195 0.900 58.983 45.375 66.208 -99.200 -91.000 TYR 199 0.840 62.738 46.504 66.902 -99.200 -91.000 HIS 205 0.900 50.222 53.219 71.929 -99.200 -91.000 HIS 207 0.900 47.871 54.060 82.259 -99.200 -91.000 HIS 211 0.900 51.718 55.042 93.437 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gx2L1 VAL 3 HA 0.01 -0.04 0.17 -0.75 4.13 3.52 2gx2L1 VAL 3 HB 0.07 -0.01 -0.04 -0.04 2.12 2.11 2gx2L1 VAL 3 HG13 0.07 -0.01 -0.19 -0.04 0.97 0.80 2gx2L1 VAL 3 HG23 0.05 0.01 0.01 -0.04 0.95 0.97 2gx2L1 ILE 4 H 0.09 0.18 0.03 -0.55 8.25 8.00 2gx2L1 ILE 4 HA -0.03 0.10 0.78 -0.75 4.18 4.27 2gx2L1 ILE 4 HB 0.21 -0.03 0.15 -0.04 1.89 2.18 2gx2L1 ILE 4 HG12 0.07 0.00 -0.03 -0.04 1.49 1.50 2gx2L1 ILE 4 HG13 0.02 -0.03 0.02 -0.04 1.21 1.18 2gx2L1 ILE 4 HG23 -0.26 0.00 -0.11 -0.04 0.93 0.51 2gx2L1 ILE 4 HD13 -0.06 0.02 -0.12 -0.04 0.88 0.68 2gx2L1 LYS 5 H 0.02 0.19 0.11 -0.55 8.42 8.18 2gx2L1 LYS 5 HA 0.13 0.15 0.59 -0.75 4.32 4.44 2gx2L1 LYS 5 HB2 0.05 0.08 -0.04 -0.04 1.87 1.91 2gx2L1 LYS 5 HB3 0.06 -0.04 0.11 -0.04 1.79 1.88 2gx2L1 LYS 5 HG2 -0.02 0.12 0.03 -0.04 1.46 1.54 2gx2L1 LYS 5 HG3 -0.00 -0.03 0.05 -0.04 1.46 1.43 2gx2L1 LYS 5 HD2 0.02 -0.05 -0.03 -0.04 1.69 1.60 2gx2L1 LYS 5 HD3 0.04 0.02 -0.33 -0.04 1.68 1.37 2gx2L1 LYS 5 HE2 -0.00 -0.07 -0.05 -0.04 2.99 2.82 2gx2L1 LYS 5 HE3 0.01 -0.02 -0.08 -0.04 2.99 2.86 2gx2L1 PRO 6 HA 0.45 0.00 0.44 -0.51 4.44 4.82 2gx2L1 PRO 6 HB2 0.08 0.02 0.04 -0.04 2.28 2.38 2gx2L1 PRO 6 HB3 0.10 -0.00 0.11 -0.04 2.02 2.18 2gx2L1 PRO 6 HG2 0.01 0.02 0.09 -0.04 2.03 2.12 2gx2L1 PRO 6 HG3 -0.02 0.06 0.09 -0.04 2.03 2.12 2gx2L1 PRO 6 HD2 0.07 0.08 0.22 -0.04 3.68 4.01 2gx2L1 PRO 6 HD3 0.09 0.20 0.25 -0.04 3.65 4.15 2gx2L1 ASP 7 H 0.10 0.13 -0.33 -0.55 8.40 7.76 2gx2L1 ASP 7 HA 0.12 0.23 0.89 -0.75 4.63 5.12 2gx2L1 ASP 7 HB2 0.06 -0.06 0.11 -0.04 2.71 2.78 2gx2L1 ASP 7 HB3 0.06 0.03 0.01 -0.04 2.70 2.75 2gx2L1 MET 8 H 0.19 0.64 0.36 -0.55 8.47 9.11 2gx2L1 MET 8 HA 0.04 0.20 1.09 -0.75 4.52 5.09 2gx2L1 MET 8 HB2 0.41 -0.03 0.08 -0.04 2.15 2.58 2gx2L1 MET 8 HB3 0.07 0.08 0.18 -0.04 2.03 2.32 2gx2L1 MET 8 HG2 0.08 0.09 -0.18 -0.04 2.63 2.58 2gx2L1 MET 8 HG3 0.06 -0.03 0.01 -0.04 2.56 2.56 2gx2L1 MET 8 HE3 -0.58 0.05 0.03 -0.04 2.10 1.56 2gx2L1 LYS 9 H 0.01 0.72 0.52 -0.55 8.42 9.11 2gx2L1 LYS 9 HA 0.06 0.21 1.15 -0.75 4.32 4.98 2gx2L1 LYS 9 HB2 -0.01 -0.06 0.09 -0.04 1.87 1.86 2gx2L1 LYS 9 HB3 0.00 0.02 0.21 -0.04 1.79 1.99 2gx2L1 LYS 9 HG2 0.01 0.05 0.04 -0.04 1.46 1.52 2gx2L1 LYS 9 HG3 0.01 -0.02 -0.10 -0.04 1.46 1.31 2gx2L1 LYS 9 HD2 -0.01 -0.04 -0.02 -0.04 1.69 1.58 2gx2L1 LYS 9 HD3 -0.01 0.01 0.04 -0.04 1.68 1.68 2gx2L1 LYS 9 HE2 -0.00 -0.03 -0.00 -0.04 2.99 2.91 2gx2L1 LYS 9 HE3 -0.00 0.00 -0.01 -0.04 2.99 2.94 2gx2L1 ILE 10 H 0.01 0.55 0.35 -0.55 8.25 8.61 2gx2L1 ILE 10 HA 0.02 0.27 0.97 -0.75 4.18 4.68 2gx2L1 ILE 10 HB -0.06 -0.16 -0.09 -0.04 1.89 1.54 2gx2L1 ILE 10 HG12 0.34 0.07 -0.20 -0.04 1.49 1.66 2gx2L1 ILE 10 HG13 0.16 -0.10 -0.78 -0.04 1.21 0.45 2gx2L1 ILE 10 HG23 -0.39 0.02 -0.25 -0.04 0.93 0.26 2gx2L1 ILE 10 HD13 -0.25 0.02 -0.25 -0.04 0.88 0.35 2gx2L1 LYS 11 H -0.20 0.67 0.35 -0.55 8.42 8.69 2gx2L1 LYS 11 HA -0.07 0.22 1.00 -0.75 4.32 4.73 2gx2L1 LYS 11 HB2 -0.03 -0.03 -0.04 -0.04 1.87 1.73 2gx2L1 LYS 11 HB3 -0.03 0.01 0.14 -0.04 1.79 1.87 2gx2L1 LYS 11 HG2 -0.01 0.01 -0.04 -0.04 1.46 1.37 2gx2L1 LYS 11 HG3 -0.02 0.03 0.18 -0.04 1.46 1.61 2gx2L1 LYS 11 HD2 -0.01 -0.02 0.02 -0.04 1.69 1.64 2gx2L1 LYS 11 HD3 -0.00 -0.01 -0.02 -0.04 1.68 1.61 2gx2L1 LYS 11 HE2 0.01 0.01 -0.01 -0.04 2.99 2.95 2gx2L1 LYS 11 HE3 -0.00 -0.00 0.03 -0.04 2.99 2.97 2gx2L1 LEU 12 H -0.03 0.61 0.43 -0.55 8.37 8.84 2gx2L1 LEU 12 HA 0.04 0.25 0.92 -0.75 4.35 4.81 2gx2L1 LEU 12 HB2 0.25 -0.00 0.02 -0.04 1.64 1.87 2gx2L1 LEU 12 HB3 -0.11 0.04 -0.22 -0.04 1.64 1.31 2gx2L1 LEU 12 HG -0.00 -0.02 -0.11 -0.04 1.64 1.46 2gx2L1 LEU 12 HD13 0.18 -0.01 -0.42 -0.04 0.93 0.64 2gx2L1 LEU 12 HD23 0.20 0.02 -0.25 -0.04 0.89 0.82 2gx2L1 ARG 13 H 0.13 0.43 0.25 -0.55 8.46 8.72 2gx2L1 ARG 13 HA 0.11 0.19 0.94 -0.75 4.34 4.83 2gx2L1 ARG 13 HB2 0.05 0.02 0.05 -0.04 1.90 1.98 2gx2L1 ARG 13 HB3 0.05 -0.00 0.17 -0.04 1.80 1.98 2gx2L1 ARG 13 HG2 0.05 -0.02 -0.29 -0.04 1.67 1.36 2gx2L1 ARG 13 HG3 0.06 0.04 0.01 -0.04 1.67 1.74 2gx2L1 ARG 13 HD2 0.03 -0.01 -0.01 -0.04 3.22 3.20 2gx2L1 ARG 13 HD3 0.03 -0.01 -0.01 -0.04 3.22 3.19 2gx2L1 MET 14 H 0.19 0.94 0.41 -0.55 8.47 9.47 2gx2L1 MET 14 HA 0.08 0.24 1.01 -0.75 4.52 5.10 2gx2L1 MET 14 HB2 0.27 0.01 -0.12 -0.04 2.15 2.27 2gx2L1 MET 14 HB3 0.39 -0.05 0.09 -0.04 2.03 2.42 2gx2L1 MET 14 HG2 -0.01 -0.00 -0.58 -0.04 2.63 1.99 2gx2L1 MET 14 HG3 0.02 0.02 -0.29 -0.04 2.56 2.27 2gx2L1 MET 14 HE3 -0.64 0.02 -0.21 -0.04 2.10 1.22 2gx2L1 GLU 15 H -0.03 0.67 0.34 -0.55 8.60 9.03 2gx2L1 GLU 15 HA -0.15 0.17 1.08 -0.75 4.29 4.64 2gx2L1 GLU 15 HB2 -0.05 0.04 0.25 -0.04 2.09 2.28 2gx2L1 GLU 15 HB3 -0.08 -0.00 0.14 -0.04 1.99 2.01 2gx2L1 GLU 15 HG2 -0.02 0.01 -0.01 -0.04 2.34 2.28 2gx2L1 GLU 15 HG3 -0.01 0.01 -0.14 -0.04 2.34 2.16 2gx2L1 GLY 16 H -0.59 0.68 0.39 -0.55 8.43 8.36 2gx2L1 GLY 16 HA2 -0.16 0.09 0.64 -0.51 4.01 4.08 2gx2L1 GLY 16 HA3 -0.35 -0.01 0.51 -0.51 4.01 3.65 2gx2L1 ALA 17 H 0.13 0.59 0.37 -0.55 8.40 8.94 2gx2L1 ALA 17 HA 0.31 0.34 0.52 -0.75 4.34 4.76 2gx2L1 ALA 17 HB3 0.06 -0.02 -0.22 -0.04 1.41 1.20 2gx2L1 VAL 18 H 0.28 0.61 0.15 -0.55 8.24 8.73 2gx2L1 VAL 18 HA 0.12 0.14 0.92 -0.75 4.13 4.56 2gx2L1 VAL 18 HB -0.30 0.10 0.06 -0.04 2.12 1.94 2gx2L1 VAL 18 HG13 -0.23 -0.02 -0.19 -0.04 0.97 0.49 2gx2L1 VAL 18 HG23 -0.69 -0.01 -0.23 -0.04 0.95 -0.03 2gx2L1 ASN 19 H 0.14 0.68 0.24 -0.55 8.53 9.05 2gx2L1 ASN 19 HA 0.11 -0.07 0.43 -0.75 4.76 4.47 2gx2L1 ASN 19 HB2 0.21 0.18 -0.22 -0.04 2.88 3.01 2gx2L1 ASN 19 HB3 0.18 0.05 0.25 -0.04 2.79 3.22 2gx2L1 ASN 19 HD21 0.19 0.27 0.05 -0.04 7.03 7.50 2gx2L1 ASN 19 HD22 0.14 0.06 -0.01 -0.04 7.74 7.88 2gx2L1 GLY 20 H 0.07 0.07 -0.31 -0.55 8.43 7.71 2gx2L1 GLY 20 HA2 -0.02 -0.02 0.23 -0.51 4.01 3.70 2gx2L1 GLY 20 HA3 -0.10 0.13 0.49 -0.51 4.01 4.01 2gx2L1 HIS 21 H 0.19 0.38 -0.37 -0.55 8.41 8.07 2gx2L1 HIS 21 HA 0.10 0.23 1.01 -0.75 4.63 5.22 2gx2L1 HIS 21 HB2 0.16 0.05 0.18 -0.04 3.26 3.61 2gx2L1 HIS 21 HB3 0.15 0.07 0.06 -0.04 3.20 3.44 2gx2L1 HIS 21 HD2 0.07 -0.00 0.03 -0.04 6.97 7.02 2gx2L1 HIS 21 HE1 0.05 -0.05 0.02 -0.04 7.75 7.73 2gx2L1 PRO 22 HA 0.11 0.30 0.73 -0.51 4.44 5.07 2gx2L1 PRO 22 HB2 0.05 -0.01 0.03 -0.04 2.28 2.31 2gx2L1 PRO 22 HB3 0.03 -0.00 0.11 -0.04 2.02 2.12 2gx2L1 PRO 22 HG2 0.11 -0.00 0.09 -0.04 2.03 2.19 2gx2L1 PRO 22 HG3 0.06 0.02 0.09 -0.04 2.03 2.15 2gx2L1 PRO 22 HD2 0.13 0.09 0.32 -0.04 3.68 4.18 2gx2L1 PRO 22 HD3 0.04 0.23 0.17 -0.04 3.65 4.05 2gx2L1 PHE 23 H -0.15 0.57 0.39 -0.55 8.34 8.59 2gx2L1 PHE 23 HA 0.09 0.02 0.21 -0.75 4.62 4.19 2gx2L1 PHE 23 HB2 0.11 0.09 0.11 -0.04 3.15 3.42 2gx2L1 PHE 23 HB3 0.16 0.19 -0.16 -0.04 3.06 3.21 2gx2L1 PHE 23 HD2 0.16 0.11 -0.33 -0.04 7.28 7.18 2gx2L1 PHE 23 HE2 0.01 -0.05 -0.36 -0.04 7.38 6.93 2gx2L1 PHE 23 HZ -0.30 -0.02 -0.26 -0.04 7.32 6.70 2gx2L1 ALA 24 H 0.25 0.43 0.33 -0.55 8.40 8.86 2gx2L1 ALA 24 HA 0.00 0.37 1.04 -0.75 4.34 4.99 2gx2L1 ALA 24 HB3 0.05 -0.01 0.06 -0.04 1.41 1.46 2gx2L1 ILE 25 H 0.17 0.75 0.41 -0.55 8.25 9.03 2gx2L1 ILE 25 HA 0.16 0.17 1.08 -0.75 4.18 4.84 2gx2L1 ILE 25 HB 0.48 -0.05 0.02 -0.04 1.89 2.29 2gx2L1 ILE 25 HG12 0.27 0.03 -0.07 -0.04 1.49 1.68 2gx2L1 ILE 25 HG13 0.50 -0.10 -0.55 -0.04 1.21 1.02 2gx2L1 ILE 25 HG23 0.08 0.02 -0.24 -0.04 0.93 0.75 2gx2L1 ILE 25 HD13 0.32 0.00 -0.17 -0.04 0.88 0.99 2gx2L1 GLU 26 H 0.07 0.63 0.42 -0.55 8.60 9.18 2gx2L1 GLU 26 HA 0.07 0.23 1.11 -0.75 4.29 4.94 2gx2L1 GLU 26 HB2 0.03 -0.02 0.16 -0.04 2.09 2.22 2gx2L1 GLU 26 HB3 0.02 0.06 0.22 -0.04 1.99 2.26 2gx2L1 GLU 26 HG2 0.05 0.06 0.14 -0.04 2.34 2.55 2gx2L1 GLU 26 HG3 0.06 -0.11 -0.16 -0.04 2.34 2.08 2gx2L1 GLY 27 H 0.01 0.60 0.41 -0.55 8.43 8.89 2gx2L1 GLY 27 HA2 -0.05 0.23 0.87 -0.51 4.01 4.56 2gx2L1 GLY 27 HA3 -0.09 -0.01 0.33 -0.51 4.01 3.74 2gx2L1 VAL 28 H -0.05 0.53 0.43 -0.55 8.24 8.60 2gx2L1 VAL 28 HA -0.05 0.32 1.01 -0.75 4.13 4.65 2gx2L1 VAL 28 HB -0.03 0.05 0.21 -0.04 2.12 2.31 2gx2L1 VAL 28 HG13 -0.02 -0.01 -0.02 -0.04 0.97 0.88 2gx2L1 VAL 28 HG23 -0.02 -0.02 0.10 -0.04 0.95 0.96 2gx2L1 GLY 29 H -0.04 0.61 0.47 -0.55 8.43 8.92 2gx2L1 GLY 29 HA2 -0.06 0.03 0.71 -0.51 4.01 4.18 2gx2L1 GLY 29 HA3 -0.07 0.12 0.59 -0.51 4.01 4.14 2gx2L1 LEU 30 H -0.12 0.71 0.47 -0.55 8.37 8.88 2gx2L1 LEU 30 HA 0.00 0.15 0.77 -0.75 4.35 4.52 2gx2L1 LEU 30 HB2 0.01 0.10 0.18 -0.04 1.64 1.88 2gx2L1 LEU 30 HB3 -0.01 0.05 0.05 -0.04 1.64 1.69 2gx2L1 LEU 30 HG -0.06 -0.02 -0.09 -0.04 1.64 1.43 2gx2L1 LEU 30 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.81 2gx2L1 LEU 30 HD23 -0.05 -0.01 -0.11 -0.04 0.89 0.68 2gx2L1 GLY 31 H 0.08 0.68 0.39 -0.55 8.43 9.03 2gx2L1 GLY 31 HA2 -0.08 0.01 0.56 -0.51 4.01 3.99 2gx2L1 GLY 31 HA3 -0.35 0.09 0.50 -0.51 4.01 3.74 2gx2L1 LYS 32 H 0.10 0.51 0.24 -0.55 8.42 8.72 2gx2L1 LYS 32 HA 0.20 0.40 1.03 -0.75 4.32 5.19 2gx2L1 LYS 32 HB2 0.12 -0.11 0.28 -0.04 1.87 2.11 2gx2L1 LYS 32 HB3 0.16 -0.03 0.20 -0.04 1.79 2.07 2gx2L1 LYS 32 HG2 0.10 0.17 0.07 -0.04 1.46 1.76 2gx2L1 LYS 32 HG3 0.07 -0.08 -0.06 -0.04 1.46 1.35 2gx2L1 LYS 32 HD2 0.05 -0.03 0.02 -0.04 1.69 1.69 2gx2L1 LYS 32 HD3 0.08 -0.01 0.04 -0.04 1.68 1.75 2gx2L1 LYS 32 HE2 0.04 -0.02 -0.02 -0.04 2.99 2.95 2gx2L1 LYS 32 HE3 0.05 0.02 -0.03 -0.04 2.99 2.99 2gx2L1 PRO 33 HA 0.01 0.06 0.35 -0.51 4.44 4.36 2gx2L1 PRO 33 HB2 -0.62 0.02 -0.01 -0.04 2.28 1.62 2gx2L1 PRO 33 HB3 -0.41 0.08 -0.02 -0.04 2.02 1.64 2gx2L1 PRO 33 HG2 -0.03 0.10 -0.01 -0.04 2.03 2.05 2gx2L1 PRO 33 HG3 -0.17 -0.02 -0.10 -0.04 2.03 1.70 2gx2L1 PRO 33 HD2 0.14 0.22 0.13 -0.04 3.68 4.14 2gx2L1 PRO 33 HD3 0.30 0.35 0.10 -0.04 3.65 4.36 2gx2L1 PHE 34 H 0.12 0.15 -0.19 -0.55 8.34 7.86 2gx2L1 PHE 34 HA 0.09 0.18 0.61 -0.75 4.62 4.75 2gx2L1 PHE 34 HB2 0.06 -0.01 0.04 -0.04 3.15 3.19 2gx2L1 PHE 34 HB3 0.06 0.00 0.08 -0.04 3.06 3.16 2gx2L1 PHE 34 HD2 0.06 -0.01 0.00 -0.04 7.28 7.29 2gx2L1 PHE 34 HE2 0.03 0.04 -0.25 -0.04 7.38 7.16 2gx2L1 PHE 34 HZ 0.03 0.07 -0.02 -0.04 7.32 7.36 2gx2L1 GLU 35 H 0.19 0.21 -0.21 -0.55 8.60 8.24 2gx2L1 GLU 35 HA 0.14 0.17 0.82 -0.75 4.29 4.67 2gx2L1 GLU 35 HB2 0.11 0.00 0.13 -0.04 2.09 2.30 2gx2L1 GLU 35 HB3 0.08 -0.01 0.11 -0.04 1.99 2.13 2gx2L1 GLU 35 HG2 0.10 0.04 0.00 -0.04 2.34 2.44 2gx2L1 GLU 35 HG3 0.13 -0.04 -0.07 -0.04 2.34 2.32 2gx2L1 GLY 36 H 0.15 0.24 -0.30 -0.55 8.43 7.97 2gx2L1 GLY 36 HA2 0.16 -0.02 -0.25 -0.51 4.01 3.39 2gx2L1 GLY 36 HA3 0.15 0.20 0.47 -0.51 4.01 4.32 2gx2L1 LYS 37 H 0.14 0.18 -0.06 -0.55 8.42 8.13 2gx2L1 LYS 37 HA 0.09 0.46 1.16 -0.75 4.32 5.28 2gx2L1 LYS 37 HB2 0.02 -0.12 0.06 -0.04 1.87 1.79 2gx2L1 LYS 37 HB3 -0.02 -0.01 0.08 -0.04 1.79 1.80 2gx2L1 LYS 37 HG2 -0.18 0.03 -0.03 -0.04 1.46 1.24 2gx2L1 LYS 37 HG3 -0.01 0.15 -0.34 -0.04 1.46 1.21 2gx2L1 LYS 37 HD2 -0.06 -0.06 -0.03 -0.04 1.69 1.50 2gx2L1 LYS 37 HD3 -0.13 -0.03 -0.03 -0.04 1.68 1.46 2gx2L1 LYS 37 HE2 -0.83 -0.01 -0.03 -0.04 2.99 2.09 2gx2L1 LYS 37 HE3 -0.25 0.10 -0.02 -0.04 2.99 2.78 2gx2L1 GLN 38 H -0.05 0.46 0.40 -0.55 8.47 8.74 2gx2L1 GLN 38 HA -0.25 0.09 0.78 -0.75 4.36 4.22 2gx2L1 GLN 38 HB2 -0.62 0.01 -0.03 -0.04 2.15 1.47 2gx2L1 GLN 38 HB3 -0.82 0.04 -0.25 -0.04 2.02 0.96 2gx2L1 GLN 38 HG2 -0.06 0.11 -0.16 -0.04 2.40 2.25 2gx2L1 GLN 38 HG3 -0.11 -0.09 -0.31 -0.04 2.39 1.83 2gx2L1 GLN 38 HE21 0.21 0.11 -0.32 -0.04 6.97 6.93 2gx2L1 GLN 38 HE22 0.13 0.05 -0.25 -0.04 7.69 7.58 2gx2L1 SER 39 H -0.26 0.62 0.43 -0.55 8.46 8.70 2gx2L1 SER 39 HA -0.32 0.35 0.96 -0.75 4.49 4.72 2gx2L1 SER 39 HB2 -0.83 -0.02 0.10 -0.04 3.95 3.15 2gx2L1 SER 39 HB3 -1.02 0.01 -0.09 -0.04 3.93 2.78 2gx2L1 MET 40 H -0.08 0.53 0.43 -0.55 8.47 8.80 2gx2L1 MET 40 HA -0.07 0.10 0.84 -0.75 4.52 4.64 2gx2L1 MET 40 HB2 -0.05 0.06 -0.10 -0.04 2.15 2.02 2gx2L1 MET 40 HB3 -0.05 0.04 -0.22 -0.04 2.03 1.75 2gx2L1 MET 40 HG2 0.02 0.04 -0.12 -0.04 2.63 2.53 2gx2L1 MET 40 HG3 -0.02 -0.07 -0.25 -0.04 2.56 2.18 2gx2L1 MET 40 HE3 0.15 0.06 -0.28 -0.04 2.10 1.99 2gx2L1 ASP 41 H -0.04 0.75 0.46 -0.55 8.40 9.01 2gx2L1 ASP 41 HA -0.02 0.27 1.16 -0.75 4.63 5.29 2gx2L1 ASP 41 HB2 -0.03 -0.00 0.25 -0.04 2.71 2.89 2gx2L1 ASP 41 HB3 -0.02 0.00 0.06 -0.04 2.70 2.70 2gx2L1 LEU 42 H -0.05 0.71 0.43 -0.55 8.37 8.92 2gx2L1 LEU 42 HA -0.10 0.27 1.11 -0.75 4.35 4.86 2gx2L1 LEU 42 HB2 -0.03 -0.07 0.07 -0.04 1.64 1.57 2gx2L1 LEU 42 HB3 -0.22 0.02 -0.07 -0.04 1.64 1.33 2gx2L1 LEU 42 HG -0.14 -0.05 -0.33 -0.04 1.64 1.08 2gx2L1 LEU 42 HD13 -0.21 -0.01 -0.17 -0.04 0.93 0.51 2gx2L1 LEU 42 HD23 -0.64 0.02 -0.24 -0.04 0.89 -0.02 2gx2L1 LYS 43 H -0.01 0.77 0.42 -0.55 8.42 9.04 2gx2L1 LYS 43 HA 0.03 0.40 1.18 -0.75 4.32 5.17 2gx2L1 LYS 43 HB2 0.00 -0.04 -0.07 -0.04 1.87 1.72 2gx2L1 LYS 43 HB3 0.01 -0.03 0.13 -0.04 1.79 1.86 2gx2L1 LYS 43 HG2 0.01 -0.07 -0.04 -0.04 1.46 1.33 2gx2L1 LYS 43 HG3 0.03 0.09 -0.29 -0.04 1.46 1.25 2gx2L1 LYS 43 HD2 0.02 0.30 0.21 -0.04 1.69 2.17 2gx2L1 LYS 43 HD3 0.00 -0.10 0.01 -0.04 1.68 1.55 2gx2L1 LYS 43 HE2 0.02 0.22 0.06 -0.04 2.99 3.25 2gx2L1 LYS 43 HE3 0.01 -0.12 -0.00 -0.04 2.99 2.84 2gx2L1 VAL 44 H 0.07 0.53 0.35 -0.55 8.24 8.64 2gx2L1 VAL 44 HA 0.15 0.07 0.77 -0.75 4.13 4.37 2gx2L1 VAL 44 HB 0.07 -0.06 0.23 -0.04 2.12 2.32 2gx2L1 VAL 44 HG13 0.10 -0.02 -0.13 -0.04 0.97 0.88 2gx2L1 VAL 44 HG23 0.15 0.02 0.05 -0.04 0.95 1.13 2gx2L1 LYS 45 H 0.12 0.60 0.48 -0.55 8.42 9.07 2gx2L1 LYS 45 HA 0.06 0.18 0.92 -0.75 4.32 4.71 2gx2L1 LYS 45 HB2 0.08 -0.03 -0.01 -0.04 1.87 1.87 2gx2L1 LYS 45 HB3 0.05 -0.02 0.02 -0.04 1.79 1.79 2gx2L1 LYS 45 HG2 0.06 0.08 -0.06 -0.04 1.46 1.50 2gx2L1 LYS 45 HG3 0.05 -0.02 -0.04 -0.04 1.46 1.41 2gx2L1 LYS 45 HD2 0.03 -0.02 0.01 -0.04 1.69 1.67 2gx2L1 LYS 45 HD3 0.04 0.09 -0.12 -0.04 1.68 1.64 2gx2L1 LYS 45 HE2 0.03 0.01 -0.05 -0.04 2.99 2.94 2gx2L1 LYS 45 HE3 0.03 -0.01 -0.01 -0.04 2.99 2.95 2gx2L1 GLU 46 H 0.13 0.36 0.37 -0.55 8.60 8.92 2gx2L1 GLU 46 HA 0.08 0.19 0.83 -0.75 4.29 4.63 2gx2L1 GLU 46 HB2 0.09 -0.09 0.03 -0.04 2.09 2.07 2gx2L1 GLU 46 HB3 0.08 0.04 0.04 -0.04 1.99 2.11 2gx2L1 GLU 46 HG2 0.05 0.08 -0.01 -0.04 2.34 2.42 2gx2L1 GLU 46 HG3 0.06 -0.07 -0.49 -0.04 2.34 1.80 2gx2L1 GLY 47 H 0.09 0.17 0.15 -0.55 8.43 8.29 2gx2L1 GLY 47 HA2 0.12 0.06 0.34 -0.51 4.01 4.01 2gx2L1 GLY 47 HA3 0.20 0.23 0.60 -0.51 4.01 4.53 2gx2L1 GLY 48 H 0.07 -0.03 -0.37 -0.55 8.43 7.56 2gx2L1 GLY 48 HA2 -0.00 0.02 0.39 -0.51 4.01 3.91 2gx2L1 GLY 48 HA3 0.03 -0.00 0.17 -0.51 4.01 3.70 2gx2L1 PRO 49 HA -0.02 -0.05 0.39 -0.51 4.44 4.25 2gx2L1 PRO 49 HB2 -0.04 0.14 -0.01 -0.04 2.28 2.33 2gx2L1 PRO 49 HB3 -0.01 -0.08 0.09 -0.04 2.02 1.99 2gx2L1 PRO 49 HG2 -0.04 0.07 0.07 -0.04 2.03 2.10 2gx2L1 PRO 49 HG3 -0.02 -0.02 0.06 -0.04 2.03 2.02 2gx2L1 PRO 49 HD2 -0.01 0.13 0.40 -0.04 3.68 4.16 2gx2L1 PRO 49 HD3 -0.00 0.02 0.06 -0.04 3.65 3.69 2gx2L1 LEU 50 H -0.12 0.07 0.11 -0.55 8.37 7.88 2gx2L1 LEU 50 HA -0.30 0.22 0.47 -0.75 4.35 3.98 2gx2L1 LEU 50 HB2 -0.46 0.03 0.11 -0.04 1.64 1.28 2gx2L1 LEU 50 HB3 -1.40 -0.05 0.00 -0.04 1.64 0.15 2gx2L1 LEU 50 HG -0.14 -0.07 0.03 -0.04 1.64 1.42 2gx2L1 LEU 50 HD13 -0.30 -0.01 -0.08 -0.04 0.93 0.50 2gx2L1 LEU 50 HD23 -0.28 0.05 -0.11 -0.04 0.89 0.51 2gx2L1 PRO 51 HA -0.14 0.13 0.55 -0.51 4.44 4.48 2gx2L1 PRO 51 HB2 -0.06 -0.02 0.14 -0.04 2.28 2.30 2gx2L1 PRO 51 HB3 -0.09 0.05 0.12 -0.04 2.02 2.06 2gx2L1 PRO 51 HG2 0.16 -0.05 -0.03 -0.04 2.03 2.07 2gx2L1 PRO 51 HG3 -0.05 0.03 0.07 -0.04 2.03 2.04 2gx2L1 PRO 51 HD2 -0.15 0.02 0.22 -0.04 3.68 3.72 2gx2L1 PRO 51 HD3 -0.09 0.36 0.25 -0.04 3.65 4.13 2gx2L1 PHE 52 H -0.84 0.08 -0.45 -0.55 8.34 6.58 2gx2L1 PHE 52 HA -0.18 0.34 0.87 -0.75 4.62 4.89 2gx2L1 PHE 52 HB2 -0.31 -0.11 -0.10 -0.04 3.15 2.59 2gx2L1 PHE 52 HB3 -0.20 0.02 -0.23 -0.04 3.06 2.62 2gx2L1 PHE 52 HD2 -0.23 0.13 -0.34 -0.04 7.28 6.79 2gx2L1 PHE 52 HE2 -0.50 0.04 -0.16 -0.04 7.38 6.71 2gx2L1 PHE 52 HZ -1.74 0.00 -0.19 -0.04 7.32 5.35 2gx2L1 ALA 53 H -0.07 0.35 0.19 -0.55 8.40 8.33 2gx2L1 ALA 53 HA -0.23 0.11 0.43 -0.75 4.34 3.90 2gx2L1 ALA 53 HB3 -0.15 -0.02 0.15 -0.04 1.41 1.35 2gx2L1 TYR 54 H -0.36 0.25 0.17 -0.55 8.29 7.81 2gx2L1 TYR 54 HA -0.14 0.12 0.30 -0.75 4.56 4.09 2gx2L1 TYR 54 HB2 -0.72 0.13 0.10 -0.04 3.06 2.53 2gx2L1 TYR 54 HB3 -0.38 -0.01 -0.02 -0.04 2.98 2.53 2gx2L1 TYR 54 HD2 -0.01 0.00 -0.15 -0.04 7.15 6.95 2gx2L1 TYR 54 HE2 0.15 0.03 -0.12 -0.04 6.85 6.87 2gx2L1 ASP 55 H -0.05 0.12 -0.34 -0.55 8.40 7.59 2gx2L1 ASP 55 HA 0.27 0.05 0.23 -0.75 4.63 4.43 2gx2L1 ASP 55 HB2 -0.18 -0.02 -0.13 -0.04 2.71 2.34 2gx2L1 ASP 55 HB3 -0.43 0.01 -0.15 -0.04 2.70 2.09 2gx2L1 ILE 56 H 0.07 0.37 -0.53 -0.55 8.25 7.62 2gx2L1 ILE 56 HA 0.66 0.06 0.26 -0.75 4.18 4.40 2gx2L1 ILE 56 HB 0.38 -0.01 -0.04 -0.04 1.89 2.18 2gx2L1 ILE 56 HG12 -0.01 0.38 -0.08 -0.04 1.49 1.75 2gx2L1 ILE 56 HG13 -0.12 0.03 -0.41 -0.04 1.21 0.67 2gx2L1 ILE 56 HG23 -0.08 -0.02 -0.10 -0.04 0.93 0.68 2gx2L1 ILE 56 HD13 -0.41 -0.03 -0.16 -0.04 0.88 0.23 2gx2L1 LEU 57 H 0.01 0.54 -0.38 -0.55 8.37 7.99 2gx2L1 LEU 57 HA -0.29 0.15 0.59 -0.75 4.35 4.05 2gx2L1 LEU 57 HB2 -0.36 0.11 -0.08 -0.04 1.64 1.27 2gx2L1 LEU 57 HB3 -0.59 -0.04 -0.11 -0.04 1.64 0.86 2gx2L1 LEU 57 HG -0.28 -0.01 -0.15 -0.04 1.64 1.16 2gx2L1 LEU 57 HD13 -0.51 0.00 -0.14 -0.04 0.93 0.24 2gx2L1 LEU 57 HD23 -1.06 -0.00 -0.25 -0.04 0.89 -0.46 2gx2L1 THR 58 H 0.29 0.23 -0.20 -0.55 8.28 8.06 2gx2L1 THR 58 HA 0.49 0.04 0.17 -0.75 4.39 4.34 2gx2L1 THR 58 HB 0.38 0.02 -0.14 -0.04 4.32 4.55 2gx2L1 THR 58 HG23 0.49 0.02 -0.13 -0.04 1.22 1.56 2gx2L1 THR 59 H 0.20 0.18 -0.36 -0.55 8.28 7.76 2gx2L1 THR 59 HA 0.06 0.12 0.32 -0.75 4.39 4.14 2gx2L1 THR 59 HB -0.06 0.03 -0.06 -0.04 4.32 4.18 2gx2L1 THR 59 HG23 -0.44 -0.01 -0.13 -0.04 1.22 0.61 2gx2L1 VAL 60 H 0.08 0.34 -0.56 -0.55 8.24 7.55 2gx2L1 VAL 60 HA 0.39 0.11 0.50 -0.75 4.13 4.38 2gx2L1 VAL 60 HB -0.14 0.14 -0.03 -0.04 2.12 2.04 2gx2L1 VAL 60 HG13 0.21 -0.02 -0.20 -0.04 0.97 0.92 2gx2L1 VAL 60 HG23 0.35 -0.03 -0.17 -0.04 0.95 1.06 2gx2L1 PHE 61 H 0.09 0.22 -0.31 -0.55 8.34 7.79 2gx2L1 PHE 61 HA 0.27 0.05 0.09 -0.75 4.62 4.27 2gx2L1 PHE 61 HB2 0.20 0.13 -0.07 -0.04 3.15 3.37 2gx2L1 PHE 61 HB3 0.21 -0.03 -0.14 -0.04 3.06 3.05 2gx2L1 PHE 61 HD2 0.19 -0.00 -0.27 -0.04 7.28 7.16 2gx2L1 PHE 61 HE2 -0.00 -0.03 -0.23 -0.04 7.38 7.08 2gx2L1 PHE 61 HZ 0.09 -0.03 -0.19 -0.04 7.32 7.15 2gx2L1 ASN 65 HA 0.26 -0.09 0.13 -0.75 4.76 4.30 2gx2L1 ASN 65 HB2 -0.01 0.10 0.15 -0.04 2.88 3.08 2gx2L1 ASN 65 HB3 0.45 0.00 -0.00 -0.04 2.79 3.20 2gx2L1 ASN 65 HD21 -0.75 0.03 -0.14 -0.04 7.03 6.13 2gx2L1 ASN 65 HD22 0.42 0.06 -0.12 -0.04 7.74 8.06 2gx2L1 ARG 66 H -0.07 0.13 -0.07 -0.55 8.46 7.90 2gx2L1 ARG 66 HA -0.20 0.21 0.15 -0.75 4.34 3.74 2gx2L1 ARG 66 HB2 -0.94 0.02 -0.05 -0.04 1.90 0.89 2gx2L1 ARG 66 HB3 -3.04 -0.06 -0.13 -0.04 1.80 -1.46 2gx2L1 ARG 66 HG2 -0.78 -0.03 -0.13 -0.04 1.67 0.69 2gx2L1 ARG 66 HG3 -0.43 0.01 -0.06 -0.04 1.67 1.14 2gx2L1 ARG 66 HD2 -0.08 -0.02 -0.17 -0.04 3.22 2.90 2gx2L1 ARG 66 HD3 -0.08 0.10 -0.21 -0.04 3.22 2.99 2gx2L1 VAL 67 H -0.10 0.08 -0.72 -0.55 8.24 6.96 2gx2L1 VAL 67 HA -0.06 -0.02 0.31 -0.75 4.13 3.60 2gx2L1 VAL 67 HB -0.29 0.01 -0.09 -0.04 2.12 1.71 2gx2L1 VAL 67 HG13 0.31 -0.02 -0.22 -0.04 0.97 0.99 2gx2L1 VAL 67 HG23 -1.19 0.02 -0.28 -0.04 0.95 -0.55 2gx2L1 PHE 68 H -0.06 0.39 -0.45 -0.55 8.34 7.67 2gx2L1 PHE 68 HA -0.02 0.05 0.47 -0.75 4.62 4.37 2gx2L1 PHE 68 HB2 0.02 0.17 -0.06 -0.04 3.15 3.25 2gx2L1 PHE 68 HB3 0.04 -0.01 -0.26 -0.04 3.06 2.78 2gx2L1 PHE 68 HD2 0.03 0.08 -0.31 -0.04 7.28 7.05 2gx2L1 PHE 68 HE2 0.10 0.03 -0.23 -0.04 7.38 7.24 2gx2L1 PHE 68 HZ 0.25 0.04 -0.24 -0.04 7.32 7.32 2gx2L1 ALA 69 H 0.04 0.62 -0.40 -0.55 8.40 8.11 2gx2L1 ALA 69 HA 0.03 0.19 0.53 -0.75 4.34 4.34 2gx2L1 ALA 69 HB3 -0.01 -0.01 -0.20 -0.04 1.41 1.15 2gx2L1 LYS 70 H 0.04 0.59 0.16 -0.55 8.42 8.66 2gx2L1 LYS 70 HA 0.13 0.14 0.56 -0.75 4.32 4.40 2gx2L1 LYS 70 HB2 0.12 0.02 -0.33 -0.04 1.87 1.64 2gx2L1 LYS 70 HB3 0.06 -0.08 0.22 -0.04 1.79 1.95 2gx2L1 LYS 70 HG2 0.09 -0.10 -0.24 -0.04 1.46 1.17 2gx2L1 LYS 70 HG3 0.14 0.25 0.06 -0.04 1.46 1.86 2gx2L1 LYS 70 HD2 0.12 0.04 0.07 -0.04 1.69 1.87 2gx2L1 LYS 70 HD3 0.09 -0.06 0.01 -0.04 1.68 1.68 2gx2L1 LYS 70 HE2 0.08 -0.07 -0.03 -0.04 2.99 2.92 2gx2L1 LYS 70 HE3 0.10 0.05 0.02 -0.04 2.99 3.12 2gx2L1 TYR 71 H 0.25 0.25 0.25 -0.55 8.29 8.49 2gx2L1 TYR 71 HA 0.03 0.11 0.89 -0.75 4.56 4.83 2gx2L1 TYR 71 HB2 0.03 -0.01 0.17 -0.04 3.06 3.21 2gx2L1 TYR 71 HB3 0.01 0.17 -0.05 -0.04 2.98 3.07 2gx2L1 TYR 71 HD2 -0.05 0.18 -0.17 -0.04 7.15 7.07 2gx2L1 TYR 71 HE2 -0.24 0.05 -0.09 -0.04 6.85 6.53 2gx2L1 PRO 72 HA 0.08 0.06 0.43 -0.51 4.44 4.50 2gx2L1 PRO 72 HB2 0.06 -0.10 -0.06 -0.04 2.28 2.14 2gx2L1 PRO 72 HB3 0.06 -0.02 0.11 -0.04 2.02 2.13 2gx2L1 PRO 72 HG2 0.05 0.00 0.05 -0.04 2.03 2.09 2gx2L1 PRO 72 HG3 0.05 0.08 0.07 -0.04 2.03 2.19 2gx2L1 PRO 72 HD2 0.01 -0.01 0.05 -0.04 3.68 3.69 2gx2L1 PRO 72 HD3 -0.05 0.36 0.29 -0.04 3.65 4.21 2gx2L1 GLU 73 H 0.06 0.10 0.16 -0.55 8.60 8.38 2gx2L1 GLU 73 HA 0.06 0.19 0.43 -0.75 4.29 4.21 2gx2L1 GLU 73 HB2 0.03 0.02 0.07 -0.04 2.09 2.18 2gx2L1 GLU 73 HB3 0.04 0.04 0.14 -0.04 1.99 2.17 2gx2L1 GLU 73 HG2 0.03 0.01 -0.06 -0.04 2.34 2.28 2gx2L1 GLU 73 HG3 0.03 0.02 0.02 -0.04 2.34 2.37 2gx2L1 ASN 74 H 0.05 0.03 -0.21 -0.55 8.53 7.84 2gx2L1 ASN 74 HA 0.03 0.17 0.50 -0.75 4.76 4.71 2gx2L1 ASN 74 HB2 0.03 0.01 0.14 -0.04 2.88 3.01 2gx2L1 ASN 74 HB3 0.03 -0.01 0.03 -0.04 2.79 2.80 2gx2L1 ASN 74 HD21 0.05 0.00 -0.04 -0.04 7.03 7.00 2gx2L1 ASN 74 HD22 0.04 0.01 -0.01 -0.04 7.74 7.74 2gx2L1 ILE 75 H 0.06 0.48 -0.70 -0.55 8.25 7.54 2gx2L1 ILE 75 HA -0.00 0.10 0.88 -0.75 4.18 4.40 2gx2L1 ILE 75 HB 0.14 0.09 -0.07 -0.04 1.89 2.00 2gx2L1 ILE 75 HG12 0.02 0.04 -0.19 -0.04 1.49 1.31 2gx2L1 ILE 75 HG13 0.05 -0.16 -0.46 -0.04 1.21 0.60 2gx2L1 ILE 75 HG23 -0.16 0.04 -0.15 -0.04 0.93 0.61 2gx2L1 ILE 75 HD13 0.01 0.00 -0.24 -0.04 0.88 0.62 2gx2L1 VAL 76 H -0.05 0.06 0.05 -0.55 8.24 7.74 2gx2L1 VAL 76 HA -0.07 0.07 0.37 -0.75 4.13 3.75 2gx2L1 VAL 76 HB -0.07 -0.11 0.02 -0.04 2.12 1.92 2gx2L1 VAL 76 HG13 -0.07 -0.01 -0.43 -0.04 0.97 0.42 2gx2L1 VAL 76 HG23 -0.03 0.03 -0.07 -0.04 0.95 0.84 2gx2L1 ASP 77 H -0.16 0.18 0.11 -0.55 8.40 7.99 2gx2L1 ASP 77 HA -0.85 0.16 0.78 -0.75 4.63 3.97 2gx2L1 ASP 77 HB2 -0.25 0.19 0.09 -0.04 2.71 2.70 2gx2L1 ASP 77 HB3 -0.18 -0.04 0.22 -0.04 2.70 2.67 2gx2L1 TYR 78 H -0.33 0.32 -0.01 -0.55 8.29 7.72 2gx2L1 TYR 78 HA -0.34 0.14 0.25 -0.75 4.56 3.86 2gx2L1 TYR 78 HB2 -0.41 0.07 0.05 -0.04 3.06 2.73 2gx2L1 TYR 78 HB3 -1.05 -0.03 0.01 -0.04 2.98 1.86 2gx2L1 TYR 78 HD2 -0.82 0.05 -0.19 -0.04 7.15 6.15 2gx2L1 TYR 78 HE2 -0.18 0.02 -0.16 -0.04 6.85 6.49 2gx2L1 PHE 79 H -0.39 0.09 -0.32 -0.55 8.34 7.16 2gx2L1 PHE 79 HA -0.43 0.13 0.40 -0.75 4.62 3.97 2gx2L1 PHE 79 HB2 -0.19 0.10 -0.16 -0.04 3.15 2.87 2gx2L1 PHE 79 HB3 -0.20 -0.03 -0.26 -0.04 3.06 2.53 2gx2L1 PHE 79 HD2 -0.71 0.03 -0.15 -0.04 7.28 6.42 2gx2L1 PHE 79 HE2 -0.48 0.03 -0.13 -0.04 7.38 6.76 2gx2L1 PHE 79 HZ -1.14 0.03 -0.16 -0.04 7.32 6.00 2gx2L1 LYS 80 H -0.05 0.13 -0.09 -0.55 8.42 7.85 2gx2L1 LYS 80 HA 0.20 0.08 0.41 -0.75 4.32 4.26 2gx2L1 LYS 80 HB2 -0.04 0.01 0.11 -0.04 1.87 1.90 2gx2L1 LYS 80 HB3 0.02 0.03 0.04 -0.04 1.79 1.83 2gx2L1 LYS 80 HG2 -0.12 0.00 0.02 -0.04 1.46 1.32 2gx2L1 LYS 80 HG3 -0.06 -0.03 0.06 -0.04 1.46 1.39 2gx2L1 LYS 80 HD2 -0.05 -0.01 0.05 -0.04 1.69 1.64 2gx2L1 LYS 80 HD3 -0.17 -0.03 -0.00 -0.04 1.68 1.44 2gx2L1 LYS 80 HE2 -0.55 -0.07 -0.11 -0.04 2.99 2.22 2gx2L1 LYS 80 HE3 -0.57 -0.08 -0.09 -0.04 2.99 2.21 2gx2L1 GLN 81 H -0.13 0.29 -0.33 -0.55 8.47 7.76 2gx2L1 GLN 81 HA -0.04 0.07 0.35 -0.75 4.36 3.99 2gx2L1 GLN 81 HB2 -0.24 0.11 0.01 -0.04 2.15 1.98 2gx2L1 GLN 81 HB3 -0.16 -0.04 -0.02 -0.04 2.02 1.76 2gx2L1 GLN 81 HG2 -0.07 -0.01 0.04 -0.04 2.40 2.32 2gx2L1 GLN 81 HG3 -0.11 0.09 0.05 -0.04 2.39 2.38 2gx2L1 GLN 81 HE21 -0.09 0.03 -0.11 -0.04 6.97 6.77 2gx2L1 GLN 81 HE22 -0.14 0.03 -0.45 -0.04 7.69 7.08 2gx2L1 SER 82 H -0.22 0.23 -0.48 -0.55 8.46 7.44 2gx2L1 SER 82 HA -0.24 0.05 0.37 -0.75 4.49 3.92 2gx2L1 SER 82 HB2 -0.30 0.07 0.07 -0.04 3.95 3.74 2gx2L1 SER 82 HB3 -0.49 0.06 0.09 -0.04 3.93 3.55 2gx2L1 PHE 83 H 0.12 0.34 -0.46 -0.55 8.34 7.79 2gx2L1 PHE 83 HA 0.06 -0.15 0.56 -0.75 4.62 4.34 2gx2L1 PHE 83 HB2 0.06 0.14 -0.02 -0.04 3.15 3.30 2gx2L1 PHE 83 HB3 0.07 0.01 -0.03 -0.04 3.06 3.07 2gx2L1 PHE 83 HD2 0.12 0.13 -0.09 -0.04 7.28 7.40 2gx2L1 PHE 83 HE2 0.26 -0.02 -0.26 -0.04 7.38 7.31 2gx2L1 PHE 83 HZ 0.23 -0.04 -0.16 -0.04 7.32 7.31 2gx2L1 PRO 84 HA 0.34 0.05 0.32 -0.51 4.44 4.64 2gx2L1 PRO 84 HB2 0.09 0.03 0.01 -0.04 2.28 2.37 2gx2L1 PRO 84 HB3 0.09 0.04 0.12 -0.04 2.02 2.22 2gx2L1 PRO 84 HG2 0.05 -0.00 0.06 -0.04 2.03 2.10 2gx2L1 PRO 84 HG3 0.05 0.01 0.09 -0.04 2.03 2.14 2gx2L1 PRO 84 HD2 0.05 0.17 0.28 -0.04 3.68 4.13 2gx2L1 PRO 84 HD3 0.08 0.08 0.27 -0.04 3.65 4.04 2gx2L1 GLU 85 H 0.02 0.20 0.02 -0.55 8.60 8.29 2gx2L1 GLU 85 HA 0.02 -0.01 0.45 -0.75 4.29 3.99 2gx2L1 GLU 85 HB2 -0.07 0.19 0.12 -0.04 2.09 2.29 2gx2L1 GLU 85 HB3 -0.05 -0.01 -0.01 -0.04 1.99 1.88 2gx2L1 GLU 85 HG2 -0.02 0.03 -0.01 -0.04 2.34 2.29 2gx2L1 GLU 85 HG3 -0.00 -0.05 0.05 -0.04 2.34 2.30 2gx2L1 GLY 86 H -0.36 0.41 -0.13 -0.55 8.43 7.80 2gx2L1 GLY 86 HA2 -1.49 -0.08 0.08 -0.51 4.01 2.01 2gx2L1 GLY 86 HA3 -0.20 0.30 0.69 -0.51 4.01 4.29 2gx2L1 TYR 87 H -0.17 0.41 0.32 -0.55 8.29 8.30 2gx2L1 TYR 87 HA -0.07 0.13 0.70 -0.75 4.56 4.57 2gx2L1 TYR 87 HB2 0.07 0.06 -0.16 -0.04 3.06 3.00 2gx2L1 TYR 87 HB3 -0.15 0.00 -0.24 -0.04 2.98 2.55 2gx2L1 TYR 87 HD2 0.10 0.05 -0.20 -0.04 7.15 7.06 2gx2L1 TYR 87 HE2 0.57 -0.01 -0.18 -0.04 6.85 7.20 2gx2L1 SER 88 H 0.24 0.57 0.38 -0.55 8.46 9.10 2gx2L1 SER 88 HA -0.23 0.26 1.08 -0.75 4.49 4.84 2gx2L1 SER 88 HB2 -0.13 0.02 0.20 -0.04 3.95 4.01 2gx2L1 SER 88 HB3 -0.07 -0.02 0.03 -0.04 3.93 3.83 2gx2L1 TRP 89 H -0.33 0.49 0.43 -0.55 7.97 8.02 2gx2L1 TRP 89 HA 0.02 0.33 0.92 -0.75 4.62 5.14 2gx2L1 TRP 89 HB2 -0.21 0.02 0.06 -0.04 3.23 3.05 2gx2L1 TRP 89 HB3 0.33 -0.04 -0.03 -0.04 3.23 3.44 2gx2L1 TRP 89 HD1 0.26 -0.06 -0.16 -0.04 7.22 7.22 2gx2L1 TRP 89 HE1 -0.07 0.10 -0.17 -0.04 10.20 10.03 2gx2L1 TRP 89 HE3 -0.14 0.02 -0.71 -0.04 7.59 6.72 2gx2L1 TRP 89 HZ2 -0.05 0.28 -0.11 -0.04 7.44 7.52 2gx2L1 TRP 89 HZ3 -0.13 -0.03 -0.33 -0.04 7.13 6.59 2gx2L1 TRP 89 HH2 -0.07 -0.06 -0.17 -0.04 7.19 6.85 2gx2L1 GLU 90 H 0.18 0.49 0.44 -0.55 8.60 9.16 2gx2L1 GLU 90 HA 0.09 0.26 1.07 -0.75 4.29 4.95 2gx2L1 GLU 90 HB2 0.02 -0.05 0.15 -0.04 2.09 2.16 2gx2L1 GLU 90 HB3 0.00 0.01 0.11 -0.04 1.99 2.07 2gx2L1 GLU 90 HG2 -0.03 0.02 -0.01 -0.04 2.34 2.28 2gx2L1 GLU 90 HG3 0.02 -0.06 -0.29 -0.04 2.34 1.96 2gx2L1 ARG 91 H 0.11 0.61 0.44 -0.55 8.46 9.06 2gx2L1 ARG 91 HA -0.07 0.33 1.07 -0.75 4.34 4.91 2gx2L1 ARG 91 HB2 -0.17 0.00 -0.25 -0.04 1.90 1.45 2gx2L1 ARG 91 HB3 0.12 -0.03 -0.05 -0.04 1.80 1.79 2gx2L1 ARG 91 HG2 -0.35 0.01 -0.36 -0.04 1.67 0.93 2gx2L1 ARG 91 HG3 -0.30 -0.02 -0.22 -0.04 1.67 1.09 2gx2L1 ARG 91 HD2 -0.53 -0.01 -0.24 -0.04 3.22 2.39 2gx2L1 ARG 91 HD3 -0.98 -0.06 -0.20 -0.04 3.22 1.94 2gx2L1 SER 92 H -0.12 0.56 0.39 -0.55 8.46 8.74 2gx2L1 SER 92 HA -0.11 0.24 1.07 -0.75 4.49 4.93 2gx2L1 SER 92 HB2 -0.07 -0.01 0.07 -0.04 3.95 3.90 2gx2L1 SER 92 HB3 -0.07 -0.00 0.05 -0.04 3.93 3.87 2gx2L1 MET 93 H -0.13 0.78 0.31 -0.55 8.47 8.87 2gx2L1 MET 93 HA -0.16 0.27 0.92 -0.75 4.52 4.79 2gx2L1 MET 93 HB2 -0.07 -0.03 0.18 -0.04 2.15 2.19 2gx2L1 MET 93 HB3 -0.21 -0.05 -0.05 -0.04 2.03 1.68 2gx2L1 MET 93 HG2 -1.78 -0.01 -0.16 -0.04 2.63 0.64 2gx2L1 MET 93 HG3 -0.55 -0.05 -0.50 -0.04 2.56 1.41 2gx2L1 MET 93 HE3 -0.11 0.01 -0.27 -0.04 2.10 1.70 2gx2L1 ASN 94 H -0.06 0.70 0.21 -0.55 8.53 8.83 2gx2L1 ASN 94 HA -0.01 0.15 0.83 -0.75 4.76 4.98 2gx2L1 ASN 94 HB2 -0.03 0.01 0.06 -0.04 2.88 2.88 2gx2L1 ASN 94 HB3 -0.03 -0.08 0.24 -0.04 2.79 2.88 2gx2L1 ASN 94 HD21 -0.01 0.01 -0.04 -0.04 7.03 6.95 2gx2L1 ASN 94 HD22 -0.02 -0.01 -0.02 -0.04 7.74 7.65 2gx2L1 TYR 95 H 0.19 0.72 0.33 -0.55 8.29 8.98 2gx2L1 TYR 95 HA -0.06 0.18 0.81 -0.75 4.56 4.72 2gx2L1 TYR 95 HB2 0.04 0.11 0.19 -0.04 3.06 3.36 2gx2L1 TYR 95 HB3 -0.05 -0.13 0.08 -0.04 2.98 2.83 2gx2L1 TYR 95 HD2 -0.31 0.13 -0.14 -0.04 7.15 6.79 2gx2L1 TYR 95 HE2 0.31 0.01 -0.16 -0.04 6.85 6.97 2gx2L1 GLU 96 H -0.04 0.59 0.32 -0.55 8.60 8.93 2gx2L1 GLU 96 HA 0.05 0.10 0.30 -0.75 4.29 3.99 2gx2L1 GLU 96 HB2 0.07 0.03 0.15 -0.04 2.09 2.30 2gx2L1 GLU 96 HB3 0.03 0.01 0.16 -0.04 1.99 2.16 2gx2L1 GLU 96 HG2 0.08 0.03 0.21 -0.04 2.34 2.62 2gx2L1 GLU 96 HG3 0.23 0.03 -0.05 -0.04 2.34 2.51 2gx2L1 ASP 97 H 0.28 0.01 -0.31 -0.55 8.40 7.84 2gx2L1 ASP 97 HA 0.11 0.25 0.87 -0.75 4.63 5.11 2gx2L1 ASP 97 HB2 0.11 0.04 0.22 -0.04 2.71 3.04 2gx2L1 ASP 97 HB3 0.22 -0.00 0.08 -0.04 2.70 2.95 2gx2L1 GLY 98 H 0.07 0.55 -0.23 -0.55 8.43 8.28 2gx2L1 GLY 98 HA2 -0.00 0.01 0.30 -0.51 4.01 3.80 2gx2L1 GLY 98 HA3 -0.01 0.15 0.68 -0.51 4.01 4.32 2gx2L1 GLY 99 H -0.03 -0.10 -0.29 -0.55 8.43 7.46 2gx2L1 GLY 99 HA2 -0.64 0.24 0.39 -0.51 4.01 3.49 2gx2L1 GLY 99 HA3 -1.13 -0.14 0.22 -0.51 4.01 2.46 2gx2L1 ILE 100 H -0.39 0.56 0.39 -0.55 8.25 8.26 2gx2L1 ILE 100 HA 0.02 0.27 1.13 -0.75 4.18 4.85 2gx2L1 ILE 100 HB -0.09 -0.07 0.10 -0.04 1.89 1.79 2gx2L1 ILE 100 HG12 -0.10 0.30 -0.17 -0.04 1.49 1.47 2gx2L1 ILE 100 HG13 -0.06 -0.05 -0.03 -0.04 1.21 1.03 2gx2L1 ILE 100 HG23 -0.05 -0.01 -0.13 -0.04 0.93 0.70 2gx2L1 ILE 100 HD13 -0.02 0.01 -0.10 -0.04 0.88 0.72 2gx2L1 CYS 101 H 0.04 0.57 0.32 -0.55 8.50 8.89 2gx2L1 CYS 101 HA -0.14 0.31 1.18 -0.75 4.58 5.17 2gx2L1 CYS 101 HB2 0.11 -0.01 0.11 -0.04 2.97 3.13 2gx2L1 CYS 101 HB3 -0.54 0.05 -0.12 -0.04 2.97 2.32 2gx2L1 ASN 102 H -0.27 0.71 0.40 -0.55 8.53 8.82 2gx2L1 ASN 102 HA -0.14 0.32 1.16 -0.75 4.76 5.34 2gx2L1 ASN 102 HB2 -0.13 -0.01 0.21 -0.04 2.88 2.91 2gx2L1 ASN 102 HB3 -0.10 0.02 0.06 -0.04 2.79 2.74 2gx2L1 ASN 102 HD21 -0.06 -0.02 -0.03 -0.04 7.03 6.88 2gx2L1 ASN 102 HD22 -0.07 -0.00 -0.01 -0.04 7.74 7.62 2gx2L1 ALA 103 H -0.06 0.63 0.42 -0.55 8.40 8.85 2gx2L1 ALA 103 HA -0.11 0.30 1.00 -0.75 4.34 4.78 2gx2L1 ALA 103 HB3 0.08 -0.01 -0.03 -0.04 1.41 1.40 2gx2L1 THR 104 H -0.20 0.52 0.45 -0.55 8.28 8.50 2gx2L1 THR 104 HA -0.43 0.31 1.05 -0.75 4.39 4.56 2gx2L1 THR 104 HB -0.25 0.04 0.14 -0.04 4.32 4.22 2gx2L1 THR 104 HG23 -0.10 -0.03 -0.08 -0.04 1.22 0.97 2gx2L1 ASN 105 H -0.98 0.50 0.33 -0.55 8.53 7.84 2gx2L1 ASN 105 HA -0.49 0.32 0.90 -0.75 4.76 4.74 2gx2L1 ASN 105 HB2 -1.27 0.06 -0.18 -0.04 2.88 1.45 2gx2L1 ASN 105 HB3 -2.12 -0.08 0.07 -0.04 2.79 0.62 2gx2L1 ASN 105 HD21 -1.01 -0.03 -0.20 -0.04 7.03 5.76 2gx2L1 ASN 105 HD22 -0.12 0.08 -0.23 -0.04 7.74 7.43 2gx2L1 ASP 106 H -0.22 0.61 0.34 -0.55 8.40 8.58 2gx2L1 ASP 106 HA -0.19 0.10 0.97 -0.75 4.63 4.75 2gx2L1 ASP 106 HB2 -0.12 -0.03 0.14 -0.04 2.71 2.66 2gx2L1 ASP 106 HB3 -0.07 -0.04 0.28 -0.04 2.70 2.83 2gx2L1 ILE 107 H -0.23 0.65 0.41 -0.55 8.25 8.52 2gx2L1 ILE 107 HA 0.10 0.29 1.14 -0.75 4.18 4.95 2gx2L1 ILE 107 HB -0.39 0.00 0.19 -0.04 1.89 1.65 2gx2L1 ILE 107 HG12 -0.33 0.02 -0.19 -0.04 1.49 0.95 2gx2L1 ILE 107 HG13 -0.42 -0.04 -0.30 -0.04 1.21 0.42 2gx2L1 ILE 107 HG23 0.38 -0.02 -0.17 -0.04 0.93 1.08 2gx2L1 ILE 107 HD13 -0.38 -0.01 -0.13 -0.04 0.88 0.31 2gx2L1 THR 108 H 0.20 0.55 0.39 -0.55 8.28 8.87 2gx2L1 THR 108 HA 0.18 0.28 0.92 -0.75 4.39 5.02 2gx2L1 THR 108 HB 0.09 0.01 0.10 -0.04 4.32 4.48 2gx2L1 THR 108 HG23 0.04 0.01 -0.10 -0.04 1.22 1.14 2gx2L1 LEU 109 H 0.19 0.32 0.18 -0.55 8.37 8.52 2gx2L1 LEU 109 HA 0.08 0.19 1.04 -0.75 4.35 4.92 2gx2L1 LEU 109 HB2 0.24 -0.03 -0.14 -0.04 1.64 1.66 2gx2L1 LEU 109 HB3 0.21 0.12 0.12 -0.04 1.64 2.05 2gx2L1 LEU 109 HG -0.07 -0.10 -0.28 -0.04 1.64 1.15 2gx2L1 LEU 109 HD13 -0.53 0.04 -0.40 -0.04 0.93 -0.01 2gx2L1 LEU 109 HD23 -0.15 0.03 -0.05 -0.04 0.89 0.68 2gx2L1 ASP 110 H -0.03 0.66 0.07 -0.55 8.40 8.55 2gx2L1 ASP 110 HA 0.01 0.13 0.84 -0.75 4.63 4.85 2gx2L1 ASP 110 HB2 0.02 0.02 -0.06 -0.04 2.71 2.64 2gx2L1 ASP 110 HB3 -0.01 0.03 0.21 -0.04 2.70 2.89 2gx2L1 GLY 111 H -0.02 0.23 -0.01 -0.55 8.43 8.08 2gx2L1 GLY 111 HA2 -0.03 0.06 0.36 -0.51 4.01 3.89 2gx2L1 GLY 111 HA3 -0.04 0.03 0.58 -0.51 4.01 4.07 2gx2L1 ASP 112 H -0.06 0.18 0.28 -0.55 8.40 8.24 2gx2L1 ASP 112 HA -0.16 0.28 0.90 -0.75 4.63 4.89 2gx2L1 ASP 112 HB2 -0.05 0.06 0.28 -0.04 2.71 2.96 2gx2L1 ASP 112 HB3 -0.04 -0.00 0.07 -0.04 2.70 2.68 2gx2L1 CYS 113 H -0.12 0.33 -0.19 -0.55 8.50 7.97 2gx2L1 CYS 113 HA -0.09 0.21 1.04 -0.75 4.58 4.98 2gx2L1 CYS 113 HB2 -0.04 -0.06 -0.05 -0.04 2.97 2.78 2gx2L1 CYS 113 HB3 -0.04 0.08 0.14 -0.04 2.97 3.11 2gx2L1 TYR 114 H 0.07 0.62 0.27 -0.55 8.29 8.70 2gx2L1 TYR 114 HA 0.07 0.16 0.72 -0.75 4.56 4.75 2gx2L1 TYR 114 HB2 0.15 -0.03 0.15 -0.04 3.06 3.29 2gx2L1 TYR 114 HB3 0.34 0.02 0.00 -0.04 2.98 3.29 2gx2L1 TYR 114 HD2 0.05 0.11 -0.07 -0.04 7.15 7.20 2gx2L1 TYR 114 HE2 -1.08 -0.01 -0.12 -0.04 6.85 5.61 2gx2L1 ILE 115 H 0.24 0.74 0.39 -0.55 8.25 9.06 2gx2L1 ILE 115 HA -0.00 0.38 1.16 -0.75 4.18 4.97 2gx2L1 ILE 115 HB 0.04 -0.02 -0.03 -0.04 1.89 1.84 2gx2L1 ILE 115 HG12 0.08 -0.02 -0.34 -0.04 1.49 1.17 2gx2L1 ILE 115 HG13 0.04 0.06 -0.05 -0.04 1.21 1.23 2gx2L1 ILE 115 HG23 0.09 -0.02 -0.01 -0.04 0.93 0.95 2gx2L1 ILE 115 HD13 0.03 -0.03 -0.07 -0.04 0.88 0.78 2gx2L1 TYR 116 H 0.01 0.58 0.44 -0.55 8.29 8.77 2gx2L1 TYR 116 HA 0.02 0.29 1.02 -0.75 4.56 5.14 2gx2L1 TYR 116 HB2 0.10 -0.15 0.09 -0.04 3.06 3.06 2gx2L1 TYR 116 HB3 0.03 0.02 -0.09 -0.04 2.98 2.89 2gx2L1 TYR 116 HD2 0.16 -0.01 -0.36 -0.04 7.15 6.91 2gx2L1 TYR 116 HE2 0.19 0.09 -0.10 -0.04 6.85 6.98 2gx2L1 GLU 117 H 0.03 0.46 0.30 -0.55 8.60 8.84 2gx2L1 GLU 117 HA 0.04 0.16 0.95 -0.75 4.29 4.69 2gx2L1 GLU 117 HB2 0.01 0.04 0.09 -0.04 2.09 2.19 2gx2L1 GLU 117 HB3 -0.04 -0.10 0.32 -0.04 1.99 2.12 2gx2L1 GLU 117 HG2 -0.03 0.04 -0.06 -0.04 2.34 2.25 2gx2L1 GLU 117 HG3 -0.00 0.01 0.08 -0.04 2.34 2.38 2gx2L1 ILE 118 H 0.03 0.60 0.32 -0.55 8.25 8.65 2gx2L1 ILE 118 HA -0.15 0.37 1.27 -0.75 4.18 4.91 2gx2L1 ILE 118 HB 0.08 -0.06 0.02 -0.04 1.89 1.88 2gx2L1 ILE 118 HG12 -0.13 0.09 -0.10 -0.04 1.49 1.32 2gx2L1 ILE 118 HG13 0.10 -0.17 -0.43 -0.04 1.21 0.67 2gx2L1 ILE 118 HG23 -0.05 0.01 -0.17 -0.04 0.93 0.68 2gx2L1 ILE 118 HD13 0.28 0.00 -0.26 -0.04 0.88 0.86 2gx2L1 ARG 119 H -0.13 0.53 0.42 -0.55 8.46 8.72 2gx2L1 ARG 119 HA -0.04 0.39 1.06 -0.75 4.34 4.99 2gx2L1 ARG 119 HB2 -0.07 0.01 -0.01 -0.04 1.90 1.79 2gx2L1 ARG 119 HB3 -0.10 -0.08 0.16 -0.04 1.80 1.74 2gx2L1 ARG 119 HG2 -0.06 -0.05 -0.04 -0.04 1.67 1.48 2gx2L1 ARG 119 HG3 -0.06 -0.01 -0.17 -0.04 1.67 1.39 2gx2L1 ARG 119 HD2 -0.06 0.24 0.22 -0.04 3.22 3.58 2gx2L1 ARG 119 HD3 -0.05 -0.06 0.01 -0.04 3.22 3.08 2gx2L1 PHE 120 H 0.03 0.52 0.41 -0.55 8.34 8.76 2gx2L1 PHE 120 HA -0.04 0.26 1.06 -0.75 4.62 5.15 2gx2L1 PHE 120 HB2 -0.05 0.01 -0.20 -0.04 3.15 2.88 2gx2L1 PHE 120 HB3 -0.01 -0.07 -0.01 -0.04 3.06 2.93 2gx2L1 PHE 120 HD2 0.06 -0.01 -0.25 -0.04 7.28 7.04 2gx2L1 PHE 120 HE2 -0.02 0.03 -0.14 -0.04 7.38 7.21 2gx2L1 PHE 120 HZ 0.07 -0.03 -0.23 -0.04 7.32 7.09 2gx2L1 ASP 121 H -0.51 0.63 0.31 -0.55 8.40 8.28 2gx2L1 ASP 121 HA 0.04 0.27 1.02 -0.75 4.63 5.21 2gx2L1 ASP 121 HB2 -0.11 -0.01 0.14 -0.04 2.71 2.70 2gx2L1 ASP 121 HB3 -0.05 -0.02 0.03 -0.04 2.70 2.62 2gx2L1 GLY 122 H 0.12 0.64 0.43 -0.55 8.43 9.07 2gx2L1 GLY 122 HA2 0.01 0.41 1.26 -0.51 4.01 5.17 2gx2L1 GLY 122 HA3 0.28 -0.05 0.38 -0.51 4.01 4.12 2gx2L1 VAL 123 H -0.06 0.74 0.45 -0.55 8.24 8.82 2gx2L1 VAL 123 HA 0.07 -0.01 0.90 -0.75 4.13 4.34 2gx2L1 VAL 123 HB -0.01 -0.04 0.14 -0.04 2.12 2.17 2gx2L1 VAL 123 HG13 -0.00 -0.00 -0.21 -0.04 0.97 0.71 2gx2L1 VAL 123 HG23 -0.06 0.05 -0.03 -0.04 0.95 0.86 2gx2L1 ASN 124 H 0.00 0.15 0.17 -0.55 8.53 8.30 2gx2L1 ASN 124 HA -0.01 0.05 0.28 -0.75 4.76 4.33 2gx2L1 ASN 124 HB2 -0.13 0.20 -0.10 -0.04 2.88 2.81 2gx2L1 ASN 124 HB3 -0.07 0.03 0.14 -0.04 2.79 2.85 2gx2L1 ASN 124 HD21 -0.03 -0.01 -0.02 -0.04 7.03 6.93 2gx2L1 ASN 124 HD22 -0.05 0.10 -0.03 -0.04 7.74 7.72 2gx2L1 PHE 125 H 0.15 0.03 -0.24 -0.55 8.34 7.71 2gx2L1 PHE 125 HA 0.01 0.11 0.63 -0.75 4.62 4.62 2gx2L1 PHE 125 HB2 -0.01 0.00 -0.00 -0.04 3.15 3.10 2gx2L1 PHE 125 HB3 -0.03 -0.01 -0.05 -0.04 3.06 2.92 2gx2L1 PHE 125 HD2 -0.05 -0.04 -0.11 -0.04 7.28 7.04 2gx2L1 PHE 125 HE2 -0.38 -0.01 -0.11 -0.04 7.38 6.84 2gx2L1 PHE 125 HZ -0.11 0.06 -0.20 -0.04 7.32 7.03 2gx2L1 PRO 126 HA 0.05 0.08 0.48 -0.51 4.44 4.54 2gx2L1 PRO 126 HB2 0.03 -0.13 0.06 -0.04 2.28 2.20 2gx2L1 PRO 126 HB3 0.03 0.06 0.10 -0.04 2.02 2.17 2gx2L1 PRO 126 HG2 0.05 0.05 0.14 -0.04 2.03 2.22 2gx2L1 PRO 126 HG3 0.04 0.17 0.11 -0.04 2.03 2.30 2gx2L1 PRO 126 HD2 0.13 -0.08 0.22 -0.04 3.68 3.92 2gx2L1 PRO 126 HD3 0.05 0.37 0.33 -0.04 3.65 4.36 2gx2L1 ALA 127 H 0.04 0.17 0.17 -0.55 8.40 8.23 2gx2L1 ALA 127 HA 0.03 0.13 0.36 -0.75 4.34 4.11 2gx2L1 ALA 127 HB3 0.02 0.02 0.10 -0.04 1.41 1.51 2gx2L1 ASN 128 H 0.01 -0.00 -0.28 -0.55 8.53 7.72 2gx2L1 ASN 128 HA -0.02 0.25 0.66 -0.75 4.76 4.90 2gx2L1 ASN 128 HB2 -0.01 0.04 0.11 -0.04 2.88 2.97 2gx2L1 ASN 128 HB3 -0.00 0.00 0.00 -0.04 2.79 2.75 2gx2L1 ASN 128 HD21 0.00 0.00 -0.03 -0.04 7.03 6.96 2gx2L1 ASN 128 HD22 -0.00 0.03 -0.01 -0.04 7.74 7.71 2gx2L1 GLY 129 H -0.00 0.36 -0.46 -0.55 8.43 7.78 2gx2L1 GLY 129 HA2 -0.07 0.15 0.47 -0.51 4.01 4.05 2gx2L1 GLY 129 HA3 -0.04 -0.02 0.29 -0.51 4.01 3.73 2gx2L1 PRO 130 HA -0.17 0.13 0.30 -0.51 4.44 4.19 2gx2L1 PRO 130 HB2 -0.38 -0.00 -0.13 -0.04 2.28 1.73 2gx2L1 PRO 130 HB3 -0.29 0.12 0.01 -0.04 2.02 1.82 2gx2L1 PRO 130 HG2 -1.21 -0.05 0.04 -0.04 2.03 0.77 2gx2L1 PRO 130 HG3 -1.11 0.09 0.03 -0.04 2.03 1.01 2gx2L1 PRO 130 HD2 -0.30 0.07 0.22 -0.04 3.68 3.64 2gx2L1 PRO 130 HD3 -0.25 0.23 0.16 -0.04 3.65 3.75 2gx2L1 VAL 131 H -0.23 0.11 -0.27 -0.55 8.24 7.30 2gx2L1 VAL 131 HA -0.20 0.05 0.58 -0.75 4.13 3.80 2gx2L1 VAL 131 HB -0.30 0.01 0.04 -0.04 2.12 1.83 2gx2L1 VAL 131 HG13 -0.71 0.03 -0.14 -0.04 0.97 0.10 2gx2L1 VAL 131 HG23 -0.27 0.00 -0.05 -0.04 0.95 0.58 2gx2L1 MET 132 H -0.08 0.13 -0.13 -0.55 8.47 7.85 2gx2L1 MET 132 HA -0.04 0.16 0.58 -0.75 4.52 4.47 2gx2L1 MET 132 HB2 -0.01 0.15 0.02 -0.04 2.15 2.27 2gx2L1 MET 132 HB3 -0.00 0.07 0.09 -0.04 2.03 2.15 2gx2L1 MET 132 HG2 0.06 -0.11 -0.20 -0.04 2.63 2.33 2gx2L1 MET 132 HG3 0.06 0.03 -0.19 -0.04 2.56 2.42 2gx2L1 MET 132 HE3 0.06 0.04 -0.08 -0.04 2.10 2.08 2gx2L1 GLN 133 H -0.09 0.25 -0.35 -0.55 8.47 7.74 2gx2L1 GLN 133 HA -0.05 0.19 0.64 -0.75 4.36 4.38 2gx2L1 GLN 133 HB2 -0.08 -0.04 -0.19 -0.04 2.15 1.80 2gx2L1 GLN 133 HB3 -0.05 -0.05 -0.03 -0.04 2.02 1.85 2gx2L1 GLN 133 HG2 -0.04 0.08 -0.17 -0.04 2.40 2.23 2gx2L1 GLN 133 HG3 -0.04 0.01 -0.15 -0.04 2.39 2.17 2gx2L1 GLN 133 HE21 -0.02 -0.09 -0.03 -0.04 6.97 6.80 2gx2L1 GLN 133 HE22 -0.02 0.42 0.06 -0.04 7.69 8.12 2gx2L1 LYS 134 H -0.11 0.11 -0.59 -0.55 8.42 7.27 2gx2L1 LYS 134 HA -0.13 -0.11 0.34 -0.75 4.32 3.67 2gx2L1 LYS 134 HB2 -0.07 0.18 -0.09 -0.04 1.87 1.85 2gx2L1 LYS 134 HB3 -0.10 -0.06 0.11 -0.04 1.79 1.70 2gx2L1 LYS 134 HG2 -0.16 -0.13 -0.36 -0.04 1.46 0.76 2gx2L1 LYS 134 HG3 -0.10 0.14 -0.42 -0.04 1.46 1.04 2gx2L1 LYS 134 HD2 -0.07 0.00 -0.15 -0.04 1.69 1.43 2gx2L1 LYS 134 HD3 -0.11 -0.07 -0.12 -0.04 1.68 1.35 2gx2L1 LYS 134 HE2 -0.22 0.06 -0.32 -0.04 2.99 2.47 2gx2L1 LYS 134 HE3 -0.12 0.09 -0.32 -0.04 2.99 2.60 2gx2L1 ARG 135 H -0.12 0.52 0.10 -0.55 8.46 8.40 2gx2L1 ARG 135 HA -0.07 0.30 0.86 -0.75 4.34 4.68 2gx2L1 ARG 135 HB2 -0.12 -0.09 0.03 -0.04 1.90 1.68 2gx2L1 ARG 135 HB3 -0.08 -0.15 0.16 -0.04 1.80 1.69 2gx2L1 ARG 135 HG2 -0.09 -0.04 -0.31 -0.04 1.67 1.19 2gx2L1 ARG 135 HG3 -0.07 -0.02 -0.10 -0.04 1.67 1.43 2gx2L1 ARG 135 HD2 -0.06 0.30 -0.52 -0.04 3.22 2.90 2gx2L1 ARG 135 HD3 -0.05 0.02 -0.13 -0.04 3.22 3.01 2gx2L1 THR 136 H -0.12 0.06 -0.13 -0.55 8.28 7.54 2gx2L1 THR 136 HA -0.11 0.20 0.70 -0.75 4.39 4.43 2gx2L1 THR 136 HB -0.20 0.01 -0.08 -0.04 4.32 4.02 2gx2L1 THR 136 HG23 -0.13 0.01 -0.15 -0.04 1.22 0.91 2gx2L1 VAL 137 H -0.09 0.65 0.28 -0.55 8.24 8.53 2gx2L1 VAL 137 HA -0.01 0.19 0.82 -0.75 4.13 4.37 2gx2L1 VAL 137 HB -0.03 -0.06 0.04 -0.04 2.12 2.03 2gx2L1 VAL 137 HG13 0.02 0.00 -0.13 -0.04 0.97 0.82 2gx2L1 VAL 137 HG23 -0.04 0.01 -0.29 -0.04 0.95 0.59 2gx2L1 LYS 138 H -0.06 0.21 0.28 -0.55 8.42 8.30 2gx2L1 LYS 138 HA -0.01 0.03 0.41 -0.75 4.32 3.99 2gx2L1 LYS 138 HB2 0.16 0.07 0.17 -0.04 1.87 2.23 2gx2L1 LYS 138 HB3 0.08 0.19 -0.07 -0.04 1.79 1.95 2gx2L1 LYS 138 HG2 0.06 -0.15 -0.17 -0.04 1.46 1.15 2gx2L1 LYS 138 HG3 0.13 0.07 -0.35 -0.04 1.46 1.26 2gx2L1 LYS 138 HD2 0.11 0.03 -0.05 -0.04 1.69 1.74 2gx2L1 LYS 138 HD3 0.09 -0.04 -0.09 -0.04 1.68 1.60 2gx2L1 LYS 138 HE2 0.17 -0.04 -0.03 -0.04 2.99 3.05 2gx2L1 LYS 138 HE3 0.16 -0.06 -0.08 -0.04 2.99 2.97 2gx2L1 TRP 139 H 0.30 0.18 0.17 -0.55 7.97 8.07 2gx2L1 TRP 139 HA 0.10 0.14 0.82 -0.75 4.62 4.93 2gx2L1 TRP 139 HB2 0.12 0.03 0.11 -0.04 3.23 3.45 2gx2L1 TRP 139 HB3 0.05 0.14 0.03 -0.04 3.23 3.42 2gx2L1 TRP 139 HD1 0.16 -0.02 -0.06 -0.04 7.22 7.26 2gx2L1 TRP 139 HE1 0.20 0.49 0.02 -0.04 10.20 10.87 2gx2L1 TRP 139 HE3 0.00 0.06 -0.14 -0.04 7.59 7.47 2gx2L1 TRP 139 HZ2 0.39 0.03 -0.20 -0.04 7.44 7.61 2gx2L1 TRP 139 HZ3 -0.05 -0.04 -0.32 -0.04 7.13 6.68 2gx2L1 TRP 139 HH2 0.26 -0.02 -0.22 -0.04 7.19 7.17 2gx2L1 GLU 140 H 0.32 0.45 0.36 -0.55 8.60 9.17 2gx2L1 GLU 140 HA 0.13 0.07 0.58 -0.75 4.29 4.33 2gx2L1 GLU 140 HB2 0.10 -0.05 0.16 -0.04 2.09 2.26 2gx2L1 GLU 140 HB3 0.03 0.09 0.16 -0.04 1.99 2.23 2gx2L1 GLU 140 HG2 0.25 -0.03 -0.01 -0.04 2.34 2.51 2gx2L1 GLU 140 HG3 0.05 -0.06 -0.02 -0.04 2.34 2.27 2gx2L1 PRO 141 HA -0.05 0.06 0.60 -0.51 4.44 4.54 2gx2L1 PRO 141 HB2 -0.15 -0.05 0.05 -0.04 2.28 2.09 2gx2L1 PRO 141 HB3 -0.28 0.15 0.24 -0.04 2.02 2.09 2gx2L1 PRO 141 HG2 -0.38 0.00 0.10 -0.04 2.03 1.71 2gx2L1 PRO 141 HG3 -1.32 0.04 0.13 -0.04 2.03 0.84 2gx2L1 PRO 141 HD2 -0.08 0.05 0.23 -0.04 3.68 3.83 2gx2L1 PRO 141 HD3 -0.07 0.11 0.24 -0.04 3.65 3.89 2gx2L1 SER 142 H 0.02 0.49 0.35 -0.55 8.46 8.77 2gx2L1 SER 142 HA -0.03 0.17 0.81 -0.75 4.49 4.69 2gx2L1 SER 142 HB2 -0.11 -0.02 0.04 -0.04 3.95 3.82 2gx2L1 SER 142 HB3 -0.10 0.10 -0.25 -0.04 3.93 3.65 2gx2L1 THR 143 H -0.01 0.24 0.15 -0.55 8.28 8.10 2gx2L1 THR 143 HA 0.09 0.25 1.01 -0.75 4.39 4.98 2gx2L1 THR 143 HB 0.02 -0.03 0.16 -0.04 4.32 4.42 2gx2L1 THR 143 HG23 0.08 0.01 -0.15 -0.04 1.22 1.11 2gx2L1 GLU 144 H 0.15 0.71 0.25 -0.55 8.60 9.17 2gx2L1 GLU 144 HA 0.02 0.14 0.74 -0.75 4.29 4.44 2gx2L1 GLU 144 HB2 0.09 -0.03 -0.04 -0.04 2.09 2.07 2gx2L1 GLU 144 HB3 0.16 0.02 0.10 -0.04 1.99 2.24 2gx2L1 GLU 144 HG2 0.01 0.03 -0.34 -0.04 2.34 1.99 2gx2L1 GLU 144 HG3 0.01 -0.03 -0.31 -0.04 2.34 1.97 2gx2L1 LYS 145 H 0.02 0.85 0.44 -0.55 8.42 9.18 2gx2L1 LYS 145 HA -0.17 0.18 0.99 -0.75 4.32 4.57 2gx2L1 LYS 145 HB2 0.07 0.02 0.27 -0.04 1.87 2.19 2gx2L1 LYS 145 HB3 -0.04 -0.01 0.03 -0.04 1.79 1.73 2gx2L1 LYS 145 HG2 0.25 -0.05 0.01 -0.04 1.46 1.63 2gx2L1 LYS 145 HG3 0.37 0.02 -0.01 -0.04 1.46 1.81 2gx2L1 LYS 145 HD2 0.16 -0.06 -0.46 -0.04 1.69 1.29 2gx2L1 LYS 145 HD3 0.10 -0.01 0.06 -0.04 1.68 1.78 2gx2L1 LYS 145 HE2 0.26 -0.02 -0.10 -0.04 2.99 3.09 2gx2L1 LYS 145 HE3 0.08 0.03 -0.02 -0.04 2.99 3.04 2gx2L1 LEU 146 H -0.65 0.78 0.41 -0.55 8.37 8.36 2gx2L1 LEU 146 HA -0.25 0.37 1.25 -0.75 4.35 4.97 2gx2L1 LEU 146 HB2 -1.05 -0.00 0.07 -0.04 1.64 0.62 2gx2L1 LEU 146 HB3 -0.37 -0.00 0.01 -0.04 1.64 1.24 2gx2L1 LEU 146 HG -0.08 -0.01 -0.17 -0.04 1.64 1.34 2gx2L1 LEU 146 HD13 -0.20 -0.01 -0.31 -0.04 0.93 0.37 2gx2L1 LEU 146 HD23 0.04 -0.01 -0.16 -0.04 0.89 0.72 2gx2L1 TYR 147 H -0.47 0.57 0.36 -0.55 8.29 8.20 2gx2L1 TYR 147 HA -0.17 0.09 0.67 -0.75 4.56 4.40 2gx2L1 TYR 147 HB2 0.07 0.03 0.08 -0.04 3.06 3.21 2gx2L1 TYR 147 HB3 -0.04 0.02 -0.10 -0.04 2.98 2.82 2gx2L1 TYR 147 HD2 -0.10 0.07 -0.28 -0.04 7.15 6.80 2gx2L1 TYR 147 HE2 -0.02 -0.01 -0.08 -0.04 6.85 6.70 2gx2L1 VAL 148 H 0.06 0.12 0.15 -0.55 8.24 8.03 2gx2L1 VAL 148 HA -0.15 0.25 0.89 -0.75 4.13 4.36 2gx2L1 VAL 148 HB 0.01 -0.05 0.13 -0.04 2.12 2.17 2gx2L1 VAL 148 HG13 -0.03 0.01 -0.12 -0.04 0.97 0.79 2gx2L1 VAL 148 HG23 -0.08 0.02 -0.05 -0.04 0.95 0.80 2gx2L1 ARG 149 H -0.09 0.76 0.27 -0.55 8.46 8.85 2gx2L1 ARG 149 HA 0.03 0.01 0.48 -0.75 4.34 4.10 2gx2L1 ARG 149 HB2 0.11 0.13 -0.06 -0.04 1.90 2.04 2gx2L1 ARG 149 HB3 -0.05 0.01 -0.06 -0.04 1.80 1.67 2gx2L1 ARG 149 HG2 0.01 0.01 -0.23 -0.04 1.67 1.41 2gx2L1 ARG 149 HG3 0.04 -0.07 0.07 -0.04 1.67 1.67 2gx2L1 ARG 149 HD2 0.07 0.01 -0.07 -0.04 3.22 3.18 2gx2L1 ARG 149 HD3 0.05 -0.02 -0.04 -0.04 3.22 3.17 2gx2L1 ASP 150 H 0.01 0.16 0.13 -0.55 8.40 8.15 2gx2L1 ASP 150 HA 0.00 0.03 0.35 -0.75 4.63 4.26 2gx2L1 ASP 150 HB2 -0.01 0.17 -0.06 -0.04 2.71 2.76 2gx2L1 ASP 150 HB3 -0.00 0.03 0.20 -0.04 2.70 2.88 2gx2L1 GLY 151 H -0.01 0.02 -0.19 -0.55 8.43 7.71 2gx2L1 GLY 151 HA2 0.00 -0.02 0.30 -0.51 4.01 3.78 2gx2L1 GLY 151 HA3 0.01 0.09 0.39 -0.51 4.01 3.99 2gx2L1 VAL 152 H -0.04 0.37 -0.53 -0.55 8.24 7.49 2gx2L1 VAL 152 HA -0.01 0.18 0.95 -0.75 4.13 4.51 2gx2L1 VAL 152 HB -0.00 0.18 0.27 -0.04 2.12 2.52 2gx2L1 VAL 152 HG13 0.04 0.01 -0.08 -0.04 0.97 0.90 2gx2L1 VAL 152 HG23 -0.04 -0.00 -0.09 -0.04 0.95 0.78 2gx2L1 LEU 153 H -0.24 0.53 0.32 -0.55 8.37 8.44 2gx2L1 LEU 153 HA -0.31 0.17 1.09 -0.75 4.35 4.55 2gx2L1 LEU 153 HB2 -1.14 -0.02 -0.03 -0.04 1.64 0.42 2gx2L1 LEU 153 HB3 -0.57 -0.04 0.12 -0.04 1.64 1.11 2gx2L1 LEU 153 HG -0.17 0.09 -0.22 -0.04 1.64 1.30 2gx2L1 LEU 153 HD13 -0.27 0.02 -0.20 -0.04 0.93 0.44 2gx2L1 LEU 153 HD23 -0.53 -0.02 -0.10 -0.04 0.89 0.20 2gx2L1 LYS 154 H -0.42 0.73 0.43 -0.55 8.42 8.60 2gx2L1 LYS 154 HA -0.24 0.26 1.12 -0.75 4.32 4.71 2gx2L1 LYS 154 HB2 -1.55 0.01 0.12 -0.04 1.87 0.41 2gx2L1 LYS 154 HB3 -0.53 -0.02 0.06 -0.04 1.79 1.26 2gx2L1 LYS 154 HG2 -0.31 -0.02 -0.13 -0.04 1.46 0.95 2gx2L1 LYS 154 HG3 -0.30 -0.05 -0.08 -0.04 1.46 0.99 2gx2L1 LYS 154 HD2 -0.14 0.00 -0.04 -0.04 1.69 1.47 2gx2L1 LYS 154 HD3 -0.17 0.05 -0.04 -0.04 1.68 1.48 2gx2L1 LYS 154 HE2 -0.08 0.05 -0.14 -0.04 2.99 2.79 2gx2L1 LYS 154 HE3 -0.04 -0.05 -0.10 -0.04 2.99 2.76 2gx2L1 GLY 155 H -0.17 0.68 0.34 -0.55 8.43 8.74 2gx2L1 GLY 155 HA2 -0.05 0.33 0.97 -0.51 4.01 4.75 2gx2L1 GLY 155 HA3 0.13 -0.04 0.25 -0.51 4.01 3.85 2gx2L1 ASP 156 H 0.06 0.71 0.37 -0.55 8.40 8.98 2gx2L1 ASP 156 HA 0.03 0.31 1.11 -0.75 4.63 5.32 2gx2L1 ASP 156 HB2 0.13 -0.02 0.17 -0.04 2.71 2.95 2gx2L1 ASP 156 HB3 0.06 0.01 0.12 -0.04 2.70 2.84 2gx2L1 VAL 157 H -0.00 0.48 0.32 -0.55 8.24 8.49 2gx2L1 VAL 157 HA -0.04 0.16 0.80 -0.75 4.13 4.29 2gx2L1 VAL 157 HB -0.08 0.01 -0.18 -0.04 2.12 1.83 2gx2L1 VAL 157 HG13 -0.29 -0.01 -0.14 -0.04 0.97 0.49 2gx2L1 VAL 157 HG23 -0.20 0.04 -0.31 -0.04 0.95 0.44 2gx2L1 ASN 158 H -0.08 0.23 0.19 -0.55 8.53 8.33 2gx2L1 ASN 158 HA -0.10 0.09 0.86 -0.75 4.76 4.86 2gx2L1 ASN 158 HB2 -0.05 -0.00 0.25 -0.04 2.88 3.04 2gx2L1 ASN 158 HB3 -0.05 0.03 0.06 -0.04 2.79 2.79 2gx2L1 ASN 158 HD21 -0.01 0.00 0.02 -0.04 7.03 7.00 2gx2L1 ASN 158 HD22 -0.02 0.01 0.06 -0.04 7.74 7.76 2gx2L1 MET 159 H -0.23 0.67 0.40 -0.55 8.47 8.77 2gx2L1 MET 159 HA -0.16 0.20 0.84 -0.75 4.52 4.64 2gx2L1 MET 159 HB2 -0.52 0.05 0.04 -0.04 2.15 1.68 2gx2L1 MET 159 HB3 -0.40 -0.04 -0.02 -0.04 2.03 1.53 2gx2L1 MET 159 HG2 -1.03 -0.02 -0.33 -0.04 2.63 1.21 2gx2L1 MET 159 HG3 -2.89 -0.02 -0.14 -0.04 2.56 -0.53 2gx2L1 MET 159 HE3 -1.15 0.00 -0.11 -0.04 2.10 0.80 2gx2L1 ALA 160 H 0.32 0.27 0.19 -0.55 8.40 8.62 2gx2L1 ALA 160 HA 0.19 0.19 0.81 -0.75 4.34 4.77 2gx2L1 ALA 160 HB3 0.08 0.01 -0.11 -0.04 1.41 1.35 2gx2L1 LEU 161 H 0.12 0.70 0.29 -0.55 8.37 8.93 2gx2L1 LEU 161 HA -0.12 0.30 1.03 -0.75 4.35 4.80 2gx2L1 LEU 161 HB2 0.02 0.01 0.16 -0.04 1.64 1.79 2gx2L1 LEU 161 HB3 -0.18 0.02 -0.05 -0.04 1.64 1.39 2gx2L1 LEU 161 HG -1.84 -0.01 -0.23 -0.04 1.64 -0.48 2gx2L1 LEU 161 HD13 -0.24 -0.01 -0.18 -0.04 0.93 0.45 2gx2L1 LEU 161 HD23 -1.21 0.02 -0.30 -0.04 0.89 -0.64 2gx2L1 SER 162 H 0.01 0.58 0.33 -0.55 8.46 8.83 2gx2L1 SER 162 HA -0.47 0.16 0.68 -0.75 4.49 4.10 2gx2L1 SER 162 HB2 -0.15 0.08 0.05 -0.04 3.95 3.89 2gx2L1 SER 162 HB3 -0.03 0.02 0.08 -0.04 3.93 3.96 2gx2L1 LEU 163 H -0.22 0.65 0.21 -0.55 8.37 8.47 2gx2L1 LEU 163 HA -0.09 0.23 1.01 -0.75 4.35 4.75 2gx2L1 LEU 163 HB2 -0.08 0.24 -0.16 -0.04 1.64 1.61 2gx2L1 LEU 163 HB3 -0.07 -0.08 -0.02 -0.04 1.64 1.43 2gx2L1 LEU 163 HG -0.02 0.02 -0.29 -0.04 1.64 1.31 2gx2L1 LEU 163 HD13 -0.03 -0.00 -0.20 -0.04 0.93 0.67 2gx2L1 LEU 163 HD23 -0.09 -0.02 -0.24 -0.04 0.89 0.50 2gx2L1 GLU 164 H -0.06 0.70 0.24 -0.55 8.60 8.93 2gx2L1 GLU 164 HA -0.04 0.05 0.31 -0.75 4.29 3.86 2gx2L1 GLU 164 HB2 -0.04 -0.02 0.11 -0.04 2.09 2.09 2gx2L1 GLU 164 HB3 -0.03 -0.00 0.02 -0.04 1.99 1.95 2gx2L1 GLU 164 HG2 -0.02 -0.05 -0.10 -0.04 2.34 2.13 2gx2L1 GLU 164 HG3 -0.05 0.15 -0.21 -0.04 2.34 2.20 2gx2L1 GLY 165 H -0.05 0.08 -0.19 -0.55 8.43 7.73 2gx2L1 GLY 165 HA2 -0.02 0.11 0.59 -0.51 4.01 4.18 2gx2L1 GLY 165 HA3 -0.03 -0.02 0.31 -0.51 4.01 3.76 2gx2L1 GLY 166 H -0.05 0.42 -0.57 -0.55 8.43 7.68 2gx2L1 GLY 166 HA2 -0.05 0.01 0.35 -0.51 4.01 3.81 2gx2L1 GLY 166 HA3 -0.02 0.13 0.76 -0.51 4.01 4.36 2gx2L1 GLY 167 H -0.05 0.07 0.15 -0.55 8.43 8.05 2gx2L1 GLY 167 HA2 0.06 0.00 0.37 -0.51 4.01 3.93 2gx2L1 GLY 167 HA3 0.01 0.16 0.54 -0.51 4.01 4.21 2gx2L1 HIS 168 H 0.16 0.17 0.20 -0.55 8.41 8.39 2gx2L1 HIS 168 HA 0.06 0.34 1.07 -0.75 4.63 5.35 2gx2L1 HIS 168 HB2 0.05 -0.03 -0.02 -0.04 3.26 3.23 2gx2L1 HIS 168 HB3 0.07 -0.04 -0.10 -0.04 3.20 3.09 2gx2L1 HIS 168 HD2 0.05 -0.03 -0.46 -0.04 6.97 6.48 2gx2L1 HIS 168 HE1 0.02 0.01 -0.07 -0.04 7.75 7.67 2gx2L1 TYR 169 H 0.25 0.55 0.24 -0.55 8.29 8.78 2gx2L1 TYR 169 HA 0.10 0.10 0.84 -0.75 4.56 4.84 2gx2L1 TYR 169 HB2 0.03 0.06 -0.07 -0.04 3.06 3.03 2gx2L1 TYR 169 HB3 0.02 0.01 0.16 -0.04 2.98 3.12 2gx2L1 TYR 169 HD2 0.06 0.03 0.01 -0.04 7.15 7.20 2gx2L1 TYR 169 HE2 -0.00 -0.05 -0.03 -0.04 6.85 6.73 2gx2L1 ARG 170 H 0.08 0.15 0.15 -0.55 8.46 8.29 2gx2L1 ARG 170 HA 0.03 0.25 0.91 -0.75 4.34 4.78 2gx2L1 ARG 170 HB2 0.02 -0.06 0.15 -0.04 1.90 1.97 2gx2L1 ARG 170 HB3 -0.01 0.07 0.04 -0.04 1.80 1.86 2gx2L1 ARG 170 HG2 0.07 -0.11 -0.10 -0.04 1.67 1.49 2gx2L1 ARG 170 HG3 0.03 0.01 0.00 -0.04 1.67 1.68 2gx2L1 ARG 170 HD2 0.01 0.31 0.03 -0.04 3.22 3.53 2gx2L1 ARG 170 HD3 -0.01 -0.03 -0.08 -0.04 3.22 3.06 2gx2L1 CYS 171 H -0.02 0.71 0.30 -0.55 8.50 8.95 2gx2L1 CYS 171 HA -0.19 0.24 0.79 -0.75 4.58 4.67 2gx2L1 CYS 171 HB2 -0.43 -0.03 -0.32 -0.04 2.97 2.15 2gx2L1 CYS 171 HB3 0.10 -0.05 -0.13 -0.04 2.97 2.86 2gx2L1 ASP 172 H -0.07 0.67 0.28 -0.55 8.40 8.73 2gx2L1 ASP 172 HA -0.04 0.18 1.15 -0.75 4.63 5.16 2gx2L1 ASP 172 HB2 -0.01 -0.01 0.22 -0.04 2.71 2.87 2gx2L1 ASP 172 HB3 0.00 0.05 0.04 -0.04 2.70 2.75 2gx2L1 PHE 173 H 0.06 0.61 0.40 -0.55 8.34 8.86 2gx2L1 PHE 173 HA -0.15 0.27 1.00 -0.75 4.62 4.98 2gx2L1 PHE 173 HB2 -0.18 -0.02 0.20 -0.04 3.15 3.11 2gx2L1 PHE 173 HB3 -0.21 0.04 -0.06 -0.04 3.06 2.79 2gx2L1 PHE 173 HD2 -0.28 -0.05 -0.40 -0.04 7.28 6.51 2gx2L1 PHE 173 HE2 -0.38 -0.02 -0.20 -0.04 7.38 6.74 2gx2L1 PHE 173 HZ -0.79 -0.02 -0.17 -0.04 7.32 6.30 2gx2L1 LYS 174 H -0.08 0.50 0.30 -0.55 8.42 8.58 2gx2L1 LYS 174 HA -0.02 0.15 0.91 -0.75 4.32 4.61 2gx2L1 LYS 174 HB2 -0.04 -0.03 0.23 -0.04 1.87 1.99 2gx2L1 LYS 174 HB3 -0.03 0.01 0.08 -0.04 1.79 1.81 2gx2L1 LYS 174 HG2 0.02 0.04 0.03 -0.04 1.46 1.50 2gx2L1 LYS 174 HG3 0.00 -0.03 -0.40 -0.04 1.46 1.00 2gx2L1 LYS 174 HD2 -0.01 -0.02 -0.02 -0.04 1.69 1.59 2gx2L1 LYS 174 HD3 0.01 0.00 -0.02 -0.04 1.68 1.63 2gx2L1 LYS 174 HE2 0.00 -0.01 -0.07 -0.04 2.99 2.86 2gx2L1 LYS 174 HE3 0.00 -0.01 -0.04 -0.04 2.99 2.90 2gx2L1 THR 175 H -0.13 0.77 0.36 -0.55 8.28 8.73 2gx2L1 THR 175 HA -0.21 0.32 1.29 -0.75 4.39 5.03 2gx2L1 THR 175 HB -0.52 -0.06 0.07 -0.04 4.32 3.78 2gx2L1 THR 175 HG23 -0.81 0.01 -0.13 -0.04 1.22 0.24 2gx2L1 THR 176 H -0.18 0.66 0.41 -0.55 8.28 8.63 2gx2L1 THR 176 HA -0.19 0.23 1.09 -0.75 4.39 4.77 2gx2L1 THR 176 HB -0.04 -0.07 0.20 -0.04 4.32 4.37 2gx2L1 THR 176 HG23 -0.03 0.01 -0.14 -0.04 1.22 1.01 2gx2L1 TYR 177 H 0.01 0.90 0.37 -0.55 8.29 9.02 2gx2L1 TYR 177 HA 0.34 0.20 1.01 -0.75 4.56 5.36 2gx2L1 TYR 177 HB2 -0.12 -0.06 0.12 -0.04 3.06 2.97 2gx2L1 TYR 177 HB3 0.28 -0.01 -0.04 -0.04 2.98 3.17 2gx2L1 TYR 177 HD2 0.27 0.05 -0.23 -0.04 7.15 7.19 2gx2L1 TYR 177 HE2 -0.20 0.01 -0.21 -0.04 6.85 6.41 2gx2L1 LYS 178 H 0.39 0.78 0.37 -0.55 8.42 9.41 2gx2L1 LYS 178 HA 0.22 0.10 1.08 -0.75 4.32 4.97 2gx2L1 LYS 178 HB2 0.12 -0.03 0.15 -0.04 1.87 2.07 2gx2L1 LYS 178 HB3 0.09 0.09 0.01 -0.04 1.79 1.94 2gx2L1 LYS 178 HG2 0.06 0.04 -0.13 -0.04 1.46 1.39 2gx2L1 LYS 178 HG3 0.09 -0.05 -0.44 -0.04 1.46 1.02 2gx2L1 LYS 178 HD2 0.04 -0.02 -0.08 -0.04 1.69 1.58 2gx2L1 LYS 178 HD3 0.03 0.02 -0.06 -0.04 1.68 1.64 2gx2L1 LYS 178 HE2 0.01 0.02 -0.07 -0.04 2.99 2.91 2gx2L1 LYS 178 HE3 0.01 -0.02 -0.10 -0.04 2.99 2.84 2gx2L1 ALA 179 H 0.21 0.12 0.16 -0.55 8.40 8.35 2gx2L1 ALA 179 HA -0.01 0.07 0.63 -0.75 4.34 4.28 2gx2L1 ALA 179 HB3 -0.44 0.02 0.15 -0.04 1.41 1.10 2gx2L1 LYS 180 H -0.07 0.67 0.36 -0.55 8.42 8.82 2gx2L1 LYS 180 HA -0.02 0.09 0.62 -0.75 4.32 4.25 2gx2L1 LYS 180 HB2 -0.06 0.12 -0.09 -0.04 1.87 1.80 2gx2L1 LYS 180 HB3 -0.03 -0.09 0.11 -0.04 1.79 1.75 2gx2L1 LYS 180 HG2 -0.01 -0.07 -0.06 -0.04 1.46 1.28 2gx2L1 LYS 180 HG3 -0.01 -0.04 -0.17 -0.04 1.46 1.20 2gx2L1 LYS 180 HD2 -0.04 0.37 -0.16 -0.04 1.69 1.82 2gx2L1 LYS 180 HD3 -0.02 -0.09 -0.02 -0.04 1.68 1.51 2gx2L1 LYS 180 HE2 -0.02 -0.10 -0.09 -0.04 2.99 2.74 2gx2L1 LYS 180 HE3 -0.04 -0.03 -0.20 -0.04 2.99 2.67 2gx2L1 LYS 181 H -0.10 0.20 -0.27 -0.55 8.42 7.70 2gx2L1 LYS 181 HA -0.04 0.09 0.58 -0.75 4.32 4.19 2gx2L1 LYS 181 HB2 -0.05 -0.07 0.10 -0.04 1.87 1.82 2gx2L1 LYS 181 HB3 -0.05 0.04 -0.16 -0.04 1.79 1.58 2gx2L1 LYS 181 HG2 -0.11 0.01 -0.07 -0.04 1.46 1.25 2gx2L1 LYS 181 HG3 -0.11 0.06 -0.46 -0.04 1.46 0.92 2gx2L1 LYS 181 HD2 -0.05 -0.03 -0.05 -0.04 1.69 1.52 2gx2L1 LYS 181 HD3 -0.04 -0.10 -0.08 -0.04 1.68 1.42 2gx2L1 LYS 181 HE2 -0.08 -0.02 -0.19 -0.04 2.99 2.66 2gx2L1 LYS 181 HE3 -0.08 0.04 -0.05 -0.04 2.99 2.86 2gx2L1 VAL 182 H -0.04 0.09 0.10 -0.55 8.24 7.84 2gx2L1 VAL 182 HA -0.05 0.07 0.48 -0.75 4.13 3.88 2gx2L1 VAL 182 HB -0.03 -0.02 0.14 -0.04 2.12 2.16 2gx2L1 VAL 182 HG13 -0.02 -0.00 -0.11 -0.04 0.97 0.80 2gx2L1 VAL 182 HG23 -0.02 -0.00 0.04 -0.04 0.95 0.93 2gx2L1 VAL 183 H -0.08 0.22 0.24 -0.55 8.24 8.07 2gx2L1 VAL 183 HA -0.10 0.16 0.72 -0.75 4.13 4.16 2gx2L1 VAL 183 HB -0.23 -0.06 0.02 -0.04 2.12 1.80 2gx2L1 VAL 183 HG13 -0.25 0.07 -0.42 -0.04 0.97 0.33 2gx2L1 VAL 183 HG23 -0.50 0.03 -0.13 -0.04 0.95 0.31 2gx2L1 GLN 184 H -0.08 0.13 0.06 -0.55 8.47 8.04 2gx2L1 GLN 184 HA -0.02 0.04 0.52 -0.75 4.36 4.15 2gx2L1 GLN 184 HB2 -0.03 0.01 0.06 -0.04 2.15 2.15 2gx2L1 GLN 184 HB3 -0.05 -0.03 0.03 -0.04 2.02 1.93 2gx2L1 GLN 184 HG2 -0.02 0.12 -0.26 -0.04 2.40 2.20 2gx2L1 GLN 184 HG3 -0.01 -0.02 0.01 -0.04 2.39 2.33 2gx2L1 GLN 184 HE21 -0.01 -0.01 -0.04 -0.04 6.97 6.87 2gx2L1 GLN 184 HE22 -0.01 0.03 -0.04 -0.04 7.69 7.63 2gx2L1 LEU 185 H 0.01 0.10 0.16 -0.55 8.37 8.09 2gx2L1 LEU 185 HA 0.08 0.15 0.60 -0.75 4.35 4.42 2gx2L1 LEU 185 HB2 0.01 -0.07 0.09 -0.04 1.64 1.64 2gx2L1 LEU 185 HB3 -0.01 0.05 -0.01 -0.04 1.64 1.63 2gx2L1 LEU 185 HG 0.03 0.02 0.06 -0.04 1.64 1.71 2gx2L1 LEU 185 HD13 0.01 -0.02 -0.01 -0.04 0.93 0.86 2gx2L1 LEU 185 HD23 0.11 0.04 -0.14 -0.04 0.89 0.85 2gx2L1 PRO 186 HA -0.01 0.03 0.60 -0.51 4.44 4.54 2gx2L1 PRO 186 HB2 0.01 0.18 0.06 -0.04 2.28 2.49 2gx2L1 PRO 186 HB3 -0.09 0.11 0.07 -0.04 2.02 2.07 2gx2L1 PRO 186 HG2 0.00 0.01 -0.07 -0.04 2.03 1.94 2gx2L1 PRO 186 HG3 -0.02 -0.02 -0.00 -0.04 2.03 1.95 2gx2L1 PRO 186 HD2 -0.09 0.06 0.14 -0.04 3.68 3.74 2gx2L1 PRO 186 HD3 0.03 0.20 0.13 -0.04 3.65 3.96 2gx2L1 ASP 187 H 0.03 0.04 0.16 -0.55 8.40 8.08 2gx2L1 ASP 187 HA 0.06 0.11 0.70 -0.75 4.63 4.75 2gx2L1 ASP 187 HB2 0.05 -0.01 0.13 -0.04 2.71 2.84 2gx2L1 ASP 187 HB3 0.07 0.01 0.16 -0.04 2.70 2.90 2gx2L1 TYR 188 H 0.17 0.05 0.19 -0.55 8.29 8.15 2gx2L1 TYR 188 HA -0.06 0.25 0.60 -0.75 4.56 4.59 2gx2L1 TYR 188 HB2 -0.04 -0.05 0.23 -0.04 3.06 3.15 2gx2L1 TYR 188 HB3 -0.09 -0.05 0.19 -0.04 2.98 2.99 2gx2L1 TYR 188 HD2 -0.23 -0.06 -0.07 -0.04 7.15 6.74 2gx2L1 TYR 188 HE2 -0.25 -0.03 -0.07 -0.04 6.85 6.46 2gx2L1 HIS 189 H -0.71 0.57 0.47 -0.55 8.41 8.20 2gx2L1 HIS 189 HA -0.53 0.03 0.77 -0.75 4.63 4.15 2gx2L1 HIS 189 HB2 -0.15 0.09 0.23 -0.04 3.26 3.40 2gx2L1 HIS 189 HB3 -0.09 -0.00 -0.15 -0.04 3.20 2.91 2gx2L1 HIS 189 HD2 -0.13 0.12 -0.14 -0.04 6.97 6.77 2gx2L1 HIS 189 HE1 -0.05 -0.07 -0.08 -0.04 7.75 7.51 2gx2L1 PHE 190 H -0.14 0.70 0.48 -0.55 8.34 8.83 2gx2L1 PHE 190 HA -0.27 0.34 1.19 -0.75 4.62 5.12 2gx2L1 PHE 190 HB2 -1.14 -0.04 0.00 -0.04 3.15 1.93 2gx2L1 PHE 190 HB3 -0.25 0.02 0.06 -0.04 3.06 2.84 2gx2L1 PHE 190 HD2 -0.16 0.09 -0.11 -0.04 7.28 7.06 2gx2L1 PHE 190 HE2 0.14 -0.04 -0.11 -0.04 7.38 7.33 2gx2L1 PHE 190 HZ 0.16 -0.01 -0.09 -0.04 7.32 7.35 2gx2L1 VAL 191 H 0.01 0.47 0.24 -0.55 8.24 8.41 2gx2L1 VAL 191 HA -0.11 0.21 0.79 -0.75 4.13 4.27 2gx2L1 VAL 191 HB -0.06 -0.08 0.04 -0.04 2.12 1.97 2gx2L1 VAL 191 HG13 -0.53 0.00 -0.30 -0.04 0.97 0.09 2gx2L1 VAL 191 HG23 -0.12 -0.01 -0.27 -0.04 0.95 0.52 2gx2L1 ASP 192 H 0.03 0.65 0.30 -0.55 8.40 8.83 2gx2L1 ASP 192 HA 0.04 0.18 0.97 -0.75 4.63 5.06 2gx2L1 ASP 192 HB2 -0.06 0.03 0.24 -0.04 2.71 2.89 2gx2L1 ASP 192 HB3 -0.06 0.04 0.08 -0.04 2.70 2.72 2gx2L1 HIS 193 H 0.10 0.74 0.47 -0.55 8.41 9.17 2gx2L1 HIS 193 HA -0.00 0.35 1.08 -0.75 4.63 5.30 2gx2L1 HIS 193 HB2 -0.05 -0.10 -0.01 -0.04 3.26 3.07 2gx2L1 HIS 193 HB3 0.00 -0.05 -0.05 -0.04 3.20 3.06 2gx2L1 HIS 193 HD2 -0.05 -0.01 -0.14 -0.04 6.97 6.72 2gx2L1 HIS 193 HE1 -0.08 0.03 -0.21 -0.04 7.75 7.44 2gx2L1 HIS 194 H 0.23 0.26 0.04 -0.55 8.41 8.39 2gx2L1 HIS 194 HA 0.10 0.05 0.61 -0.75 4.63 4.65 2gx2L1 HIS 194 HB2 0.05 0.07 -0.15 -0.04 3.26 3.19 2gx2L1 HIS 194 HB3 0.12 -0.04 0.18 -0.04 3.20 3.42 2gx2L1 HIS 194 HD2 0.13 0.09 -0.09 -0.04 6.97 7.06 2gx2L1 HIS 194 HE1 0.07 -0.03 -0.02 -0.04 7.75 7.72 2gx2L1 ILE 195 H 0.29 0.18 0.06 -0.55 8.25 8.23 2gx2L1 ILE 195 HA 0.17 0.31 1.05 -0.75 4.18 4.96 2gx2L1 ILE 195 HB 0.13 -0.01 -0.04 -0.04 1.89 1.92 2gx2L1 ILE 195 HG12 0.26 -0.07 -0.22 -0.04 1.49 1.41 2gx2L1 ILE 195 HG13 0.19 0.18 -0.02 -0.04 1.21 1.51 2gx2L1 ILE 195 HG23 0.20 -0.02 -0.06 -0.04 0.93 1.00 2gx2L1 ILE 195 HD13 0.19 -0.01 -0.33 -0.04 0.88 0.69 2gx2L1 GLU 196 H 0.15 0.74 0.34 -0.55 8.60 9.28 2gx2L1 GLU 196 HA 0.18 0.09 0.78 -0.75 4.29 4.57 2gx2L1 GLU 196 HB2 -0.01 -0.04 -0.05 -0.04 2.09 1.95 2gx2L1 GLU 196 HB3 0.03 0.06 -0.10 -0.04 1.99 1.94 2gx2L1 GLU 196 HG2 0.07 0.08 -0.10 -0.04 2.34 2.35 2gx2L1 GLU 196 HG3 -0.18 -0.07 -0.78 -0.04 2.34 1.27 2gx2L1 ILE 197 H 0.14 0.19 0.14 -0.55 8.25 8.17 2gx2L1 ILE 197 HA 0.14 0.14 0.85 -0.75 4.18 4.56 2gx2L1 ILE 197 HB 0.14 0.03 0.19 -0.04 1.89 2.21 2gx2L1 ILE 197 HG12 0.20 0.02 -0.06 -0.04 1.49 1.61 2gx2L1 ILE 197 HG13 0.22 -0.07 -0.05 -0.04 1.21 1.28 2gx2L1 ILE 197 HG23 0.12 -0.01 -0.12 -0.04 0.93 0.89 2gx2L1 ILE 197 HD13 0.19 0.00 -0.09 -0.04 0.88 0.94 2gx2L1 LYS 198 H 0.05 0.49 0.36 -0.55 8.42 8.76 2gx2L1 LYS 198 HA -0.05 0.10 0.63 -0.75 4.32 4.25 2gx2L1 LYS 198 HB2 -0.15 0.02 0.08 -0.04 1.87 1.78 2gx2L1 LYS 198 HB3 -0.18 -0.03 0.01 -0.04 1.79 1.55 2gx2L1 LYS 198 HG2 -0.34 0.03 -0.06 -0.04 1.46 1.04 2gx2L1 LYS 198 HG3 -1.00 -0.01 -0.03 -0.04 1.46 0.38 2gx2L1 LYS 198 HD2 -0.18 -0.01 0.02 -0.04 1.69 1.47 2gx2L1 LYS 198 HD3 -0.12 0.03 -0.07 -0.04 1.68 1.48 2gx2L1 LYS 198 HE2 -0.26 -0.01 -0.04 -0.04 2.99 2.64 2gx2L1 LYS 198 HE3 -0.12 -0.01 -0.04 -0.04 2.99 2.78 2gx2L1 SER 199 H 0.02 0.31 0.21 -0.55 8.46 8.46 2gx2L1 SER 199 HA -0.11 0.16 0.51 -0.75 4.49 4.31 2gx2L1 SER 199 HB2 -0.11 -0.02 0.09 -0.04 3.95 3.88 2gx2L1 SER 199 HB3 -0.07 0.13 -0.13 -0.04 3.93 3.82 2gx2L1 HIS 200 H -0.37 0.33 0.19 -0.55 8.41 8.02 2gx2L1 HIS 200 HA -0.19 0.24 0.64 -0.75 4.63 4.57 2gx2L1 HIS 200 HB2 -0.57 0.00 0.18 -0.04 3.26 2.84 2gx2L1 HIS 200 HB3 -0.25 0.05 0.01 -0.04 3.20 2.97 2gx2L1 HIS 200 HD2 -0.10 -0.00 -0.24 -0.04 6.97 6.58 2gx2L1 HIS 200 HE1 -0.29 0.02 -0.06 -0.04 7.75 7.38 2gx2L1 ASP 201 H -0.13 0.24 0.25 -0.55 8.40 8.22 2gx2L1 ASP 201 HA -0.18 0.20 0.73 -0.75 4.63 4.63 2gx2L1 ASP 201 HB2 -0.07 -0.06 0.19 -0.04 2.71 2.73 2gx2L1 ASP 201 HB3 -0.09 0.09 0.12 -0.04 2.70 2.78 2gx2L1 LYS 202 H -0.08 0.13 0.17 -0.55 8.42 8.08 2gx2L1 LYS 202 HA -0.05 0.14 0.38 -0.75 4.32 4.04 2gx2L1 LYS 202 HB2 -0.04 0.02 0.18 -0.04 1.87 1.99 2gx2L1 LYS 202 HB3 -0.03 -0.10 0.18 -0.04 1.79 1.79 2gx2L1 LYS 202 HG2 0.00 0.06 -0.24 -0.04 1.46 1.24 2gx2L1 LYS 202 HG3 -0.01 0.03 0.03 -0.04 1.46 1.47 2gx2L1 LYS 202 HD2 -0.01 -0.03 0.01 -0.04 1.69 1.61 2gx2L1 LYS 202 HD3 -0.01 0.04 -0.01 -0.04 1.68 1.66 2gx2L1 LYS 202 HE2 -0.02 0.02 0.03 -0.04 2.99 2.98 2gx2L1 LYS 202 HE3 -0.03 -0.04 0.05 -0.04 2.99 2.93 2gx2L1 ASP 203 H -0.02 0.02 -0.06 -0.55 8.40 7.79 2gx2L1 ASP 203 HA 0.10 0.31 0.75 -0.75 4.63 5.04 2gx2L1 ASP 203 HB2 0.01 0.06 0.18 -0.04 2.71 2.92 2gx2L1 ASP 203 HB3 0.01 0.04 0.05 -0.04 2.70 2.76 2gx2L1 TYR 204 H -0.13 0.51 -0.54 -0.55 8.29 7.58 2gx2L1 TYR 204 HA -0.11 0.07 0.25 -0.75 4.56 4.01 2gx2L1 TYR 204 HB2 -0.09 0.18 -0.18 -0.04 3.06 2.93 2gx2L1 TYR 204 HB3 -0.40 -0.06 0.13 -0.04 2.98 2.61 2gx2L1 TYR 204 HD2 -0.40 -0.02 -0.12 -0.04 7.15 6.57 2gx2L1 TYR 204 HE2 -0.37 0.03 -0.02 -0.04 6.85 6.45 2gx2L1 SER 205 H -0.00 -0.03 -0.38 -0.55 8.46 7.50 2gx2L1 SER 205 HA 0.05 0.08 0.44 -0.75 4.49 4.31 2gx2L1 SER 205 HB2 -0.01 -0.09 0.05 -0.04 3.95 3.86 2gx2L1 SER 205 HB3 0.01 0.07 0.06 -0.04 3.93 4.03 2gx2L1 ASN 206 H -0.05 -0.04 -0.18 -0.55 8.53 7.71 2gx2L1 ASN 206 HA -0.02 0.50 1.03 -0.75 4.76 5.50 2gx2L1 ASN 206 HB2 -0.05 -0.17 0.09 -0.04 2.88 2.71 2gx2L1 ASN 206 HB3 -0.04 0.05 -0.03 -0.04 2.79 2.73 2gx2L1 ASN 206 HD21 -0.01 0.06 -0.10 -0.04 7.03 6.94 2gx2L1 ASN 206 HD22 -0.03 -0.16 -0.12 -0.04 7.74 7.39 2gx2L1 VAL 207 H -0.05 0.59 0.33 -0.55 8.24 8.56 2gx2L1 VAL 207 HA -0.06 0.23 1.09 -0.75 4.13 4.64 2gx2L1 VAL 207 HB -0.14 -0.04 0.04 -0.04 2.12 1.94 2gx2L1 VAL 207 HG13 -0.03 0.00 -0.15 -0.04 0.97 0.75 2gx2L1 VAL 207 HG23 -0.66 0.01 -0.21 -0.04 0.95 0.06 2gx2L1 ASN 208 H 0.01 0.71 0.34 -0.55 8.53 9.05 2gx2L1 ASN 208 HA 0.04 0.33 1.12 -0.75 4.76 5.50 2gx2L1 ASN 208 HB2 0.02 -0.01 0.03 -0.04 2.88 2.88 2gx2L1 ASN 208 HB3 0.03 -0.13 0.24 -0.04 2.79 2.89 2gx2L1 ASN 208 HD21 0.14 -0.03 -0.08 -0.04 7.03 7.02 2gx2L1 ASN 208 HD22 0.05 0.08 -0.03 -0.04 7.74 7.80 2gx2L1 LEU 209 H 0.08 0.71 0.37 -0.55 8.37 8.99 2gx2L1 LEU 209 HA 0.19 0.17 1.15 -0.75 4.35 5.11 2gx2L1 LEU 209 HB2 0.17 -0.06 -0.10 -0.04 1.64 1.60 2gx2L1 LEU 209 HB3 0.12 -0.00 0.05 -0.04 1.64 1.77 2gx2L1 LEU 209 HG 0.20 0.08 -0.27 -0.04 1.64 1.61 2gx2L1 LEU 209 HD13 0.26 0.02 -0.18 -0.04 0.93 0.98 2gx2L1 LEU 209 HD23 0.33 0.02 -0.13 -0.04 0.89 1.08 2gx2L1 HIS 210 H 0.24 0.69 0.46 -0.55 8.41 9.26 2gx2L1 HIS 210 HA 0.02 0.29 1.17 -0.75 4.63 5.35 2gx2L1 HIS 210 HB2 0.01 -0.01 0.13 -0.04 3.26 3.35 2gx2L1 HIS 210 HB3 0.00 0.04 0.08 -0.04 3.20 3.28 2gx2L1 HIS 210 HD2 0.02 -0.20 -0.67 -0.04 6.97 6.07 2gx2L1 HIS 210 HE1 -0.02 -0.01 -0.06 -0.04 7.75 7.62 2gx2L1 GLU 211 H 0.06 0.55 0.34 -0.55 8.60 9.01 2gx2L1 GLU 211 HA 0.15 0.26 0.88 -0.75 4.29 4.83 2gx2L1 GLU 211 HB2 0.14 -0.03 -0.26 -0.04 2.09 1.89 2gx2L1 GLU 211 HB3 0.10 0.02 -0.11 -0.04 1.99 1.96 2gx2L1 GLU 211 HG2 0.18 0.06 -0.28 -0.04 2.34 2.26 2gx2L1 GLU 211 HG3 0.18 -0.13 -0.20 -0.04 2.34 2.14 2gx2L1 HIS 212 H 0.21 0.48 0.26 -0.55 8.41 8.82 2gx2L1 HIS 212 HA 0.06 0.31 1.02 -0.75 4.63 5.27 2gx2L1 HIS 212 HB2 0.05 -0.06 -0.00 -0.04 3.26 3.21 2gx2L1 HIS 212 HB3 0.10 -0.04 0.16 -0.04 3.20 3.37 2gx2L1 HIS 212 HD2 0.07 -0.06 -0.05 -0.04 6.97 6.89 2gx2L1 HIS 212 HE1 0.04 0.09 -0.05 -0.04 7.75 7.79 2gx2L1 ALA 213 H 0.20 0.84 0.36 -0.55 8.40 9.26 2gx2L1 ALA 213 HA -0.20 0.34 1.06 -0.75 4.34 4.79 2gx2L1 ALA 213 HB3 -0.14 0.02 0.01 -0.04 1.41 1.27 2gx2L1 GLU 214 H -0.20 0.51 0.30 -0.55 8.60 8.66 2gx2L1 GLU 214 HA -0.08 0.10 0.93 -0.75 4.29 4.49 2gx2L1 GLU 214 HB2 -0.12 -0.09 0.08 -0.04 2.09 1.93 2gx2L1 GLU 214 HB3 -0.03 0.09 0.04 -0.04 1.99 2.05 2gx2L1 GLU 214 HG2 0.05 0.08 0.05 -0.04 2.34 2.48 2gx2L1 GLU 214 HG3 -0.15 -0.04 -0.40 -0.04 2.34 1.71 2gx2L1 ALA 215 H -0.22 0.70 0.25 -0.55 8.40 8.59 2gx2L1 ALA 215 HA -0.14 0.17 0.96 -0.75 4.34 4.58 2gx2L1 ALA 215 HB3 -0.77 -0.02 0.10 -0.04 1.41 0.69 2gx2L1 HIS 216 H -0.12 0.66 0.44 -0.55 8.41 8.84 2gx2L1 HIS 216 HA 0.03 0.06 0.54 -0.75 4.63 4.51 2gx2L1 HIS 216 HB2 0.06 -0.04 0.14 -0.04 3.26 3.38 2gx2L1 HIS 216 HB3 0.01 0.15 -0.03 -0.04 3.20 3.29 2gx2L1 HIS 216 HD2 -0.03 0.19 -0.18 -0.04 6.97 6.91 2gx2L1 HIS 216 HE1 -0.30 -0.01 -0.08 -0.04 7.75 7.32 2gx2L1 SER 217 H 0.21 0.19 0.15 -0.55 8.46 8.47 2gx2L1 SER 217 HA 0.38 0.11 0.60 -0.75 4.49 4.83 2gx2L1 SER 217 HB2 0.12 -0.07 0.29 -0.04 3.95 4.25 2gx2L1 SER 217 HB3 0.10 0.12 -0.06 -0.04 3.93 4.05 2gx2L1 GLU 218 H 0.15 0.24 0.11 -0.55 8.60 8.55 2gx2L1 GLU 218 HA 0.11 0.07 0.23 -0.75 4.29 3.94 2gx2L1 GLU 218 HB2 0.07 0.01 0.08 -0.04 2.09 2.20 2gx2L1 GLU 218 HB3 0.08 -0.01 -0.08 -0.04 1.99 1.94 2gx2L1 GLU 218 HG2 0.10 0.09 -0.15 -0.04 2.34 2.34 2gx2L1 GLU 218 HG3 0.08 0.02 0.16 -0.04 2.34 2.57