============================================================================= 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 70.092 136.213 69.804 -99.200 -91.000 PHE 21 1.000 78.465 136.593 63.930 -99.200 -91.000 PHE 32 1.000 102.624 130.357 43.731 -99.200 -91.000 PHE 50 1.000 78.761 132.810 67.496 -99.200 -91.000 TYR 52 0.840 86.293 133.845 66.597 -99.200 -91.000 PHE 59 1.000 86.199 135.022 60.430 -99.200 -91.000 PHE 63 1.000 96.229 132.872 51.113 -99.200 -91.000 TYR 66 0.840 95.227 122.639 44.379 -99.200 -91.000 TYR 73 0.840 87.210 126.084 39.983 -99.200 -91.000 PHE 74 1.000 89.946 126.305 44.924 -99.200 -91.000 PHE 78 1.000 91.960 134.968 43.158 -99.200 -91.000 TYR 82 0.840 87.874 131.084 45.176 -99.200 -91.000 TRP 84 1.040 84.494 130.085 49.986 -99.200 -91.000 TRP6 84 1.020 83.268 129.766 51.987 -99.200 -91.000 TYR 90 0.840 78.627 122.621 63.327 -99.200 -91.000 TYR 109 0.840 94.396 136.292 47.275 -99.200 -91.000 TYR 111 0.840 89.355 136.197 52.163 -99.200 -91.000 PHE 115 1.000 78.815 131.186 60.532 -99.200 -91.000 PHE 120 1.000 75.088 125.759 65.701 -99.200 -91.000 TRP 134 1.040 86.870 123.740 63.293 -99.200 -91.000 TRP6 134 1.020 84.893 122.505 62.892 -99.200 -91.000 TYR 142 0.840 82.246 115.932 44.609 -99.200 -91.000 HIS 163 0.900 87.486 114.113 68.665 -99.200 -91.000 TYR 164 0.840 78.945 119.793 67.762 -99.200 -91.000 PHE 168 1.000 83.129 122.428 57.514 -99.200 -91.000 TYR 172 0.840 85.703 125.196 47.131 -99.200 -91.000 TYR 183 0.840 87.286 112.231 44.349 -99.200 -91.000 HIS 184 0.900 91.724 118.487 43.590 -99.200 -91.000 PHE 185 1.000 91.815 112.190 47.696 -99.200 -91.000 HIS 188 0.900 91.491 122.278 53.962 -99.200 -91.000 HIS 189 0.900 96.519 121.120 62.442 -99.200 -91.000 HIS 195 0.900 91.424 132.387 73.042 -99.200 -91.000 TYR 199 0.840 87.532 132.361 72.134 -99.200 -91.000 HIS 205 0.900 99.226 131.449 62.478 -99.200 -91.000 HIS 207 0.900 100.847 123.276 55.886 -99.200 -91.000 HIS 211 0.900 96.398 114.147 49.619 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gx2B1 VAL 3 HA 0.06 -0.04 0.15 -0.75 4.13 3.54 2gx2B1 VAL 3 HB 0.03 -0.04 -0.08 -0.04 2.12 1.98 2gx2B1 VAL 3 HG13 0.06 0.02 -0.09 -0.04 0.97 0.92 2gx2B1 VAL 3 HG23 0.03 -0.01 0.02 -0.04 0.95 0.94 2gx2B1 ILE 4 H 0.10 0.10 0.05 -0.55 8.25 7.95 2gx2B1 ILE 4 HA -0.04 0.13 0.74 -0.75 4.18 4.26 2gx2B1 ILE 4 HB 0.16 -0.05 0.12 -0.04 1.89 2.08 2gx2B1 ILE 4 HG12 0.07 0.02 -0.01 -0.04 1.49 1.53 2gx2B1 ILE 4 HG13 -0.01 -0.05 0.04 -0.04 1.21 1.14 2gx2B1 ILE 4 HG23 -0.34 0.00 -0.11 -0.04 0.93 0.44 2gx2B1 ILE 4 HD13 -0.05 0.03 -0.11 -0.04 0.88 0.71 2gx2B1 LYS 5 H 0.00 0.20 0.12 -0.55 8.42 8.19 2gx2B1 LYS 5 HA 0.16 0.17 0.80 -0.75 4.32 4.69 2gx2B1 LYS 5 HB2 0.02 0.06 0.09 -0.04 1.87 2.00 2gx2B1 LYS 5 HB3 0.06 -0.07 0.08 -0.04 1.79 1.82 2gx2B1 LYS 5 HG2 0.02 -0.02 0.01 -0.04 1.46 1.42 2gx2B1 LYS 5 HG3 0.04 -0.02 -0.02 -0.04 1.46 1.43 2gx2B1 LYS 5 HD2 0.03 -0.12 -0.68 -0.04 1.69 0.89 2gx2B1 LYS 5 HD3 -0.02 0.10 -0.06 -0.04 1.68 1.66 2gx2B1 LYS 5 HE2 0.00 0.13 -0.10 -0.04 2.99 2.98 2gx2B1 LYS 5 HE3 0.00 -0.07 -0.06 -0.04 2.99 2.83 2gx2B1 PRO 6 HA 0.39 -0.02 0.45 -0.51 4.44 4.75 2gx2B1 PRO 6 HB2 0.12 0.02 0.02 -0.04 2.28 2.40 2gx2B1 PRO 6 HB3 0.14 0.01 0.12 -0.04 2.02 2.26 2gx2B1 PRO 6 HG2 0.08 0.02 0.11 -0.04 2.03 2.20 2gx2B1 PRO 6 HG3 0.06 0.04 0.09 -0.04 2.03 2.18 2gx2B1 PRO 6 HD2 0.09 0.10 0.25 -0.04 3.68 4.09 2gx2B1 PRO 6 HD3 0.12 0.16 0.19 -0.04 3.65 4.08 2gx2B1 ASP 7 H 0.09 0.13 -0.22 -0.55 8.40 7.86 2gx2B1 ASP 7 HA 0.11 0.30 1.04 -0.75 4.63 5.33 2gx2B1 ASP 7 HB2 0.05 -0.05 0.13 -0.04 2.71 2.79 2gx2B1 ASP 7 HB3 0.05 0.02 0.03 -0.04 2.70 2.76 2gx2B1 MET 8 H 0.16 0.58 0.38 -0.55 8.47 9.05 2gx2B1 MET 8 HA 0.03 0.14 0.96 -0.75 4.52 4.89 2gx2B1 MET 8 HB2 0.20 -0.04 0.03 -0.04 2.15 2.30 2gx2B1 MET 8 HB3 -0.02 0.13 0.18 -0.04 2.03 2.28 2gx2B1 MET 8 HG2 -0.07 0.03 0.23 -0.04 2.63 2.78 2gx2B1 MET 8 HG3 0.01 -0.04 -0.33 -0.04 2.56 2.16 2gx2B1 MET 8 HE3 -0.05 0.08 0.05 -0.04 2.10 2.14 2gx2B1 LYS 9 H -0.00 0.64 0.44 -0.55 8.42 8.94 2gx2B1 LYS 9 HA 0.05 0.21 1.11 -0.75 4.32 4.94 2gx2B1 LYS 9 HB2 -0.01 -0.07 0.08 -0.04 1.87 1.83 2gx2B1 LYS 9 HB3 -0.00 0.04 0.25 -0.04 1.79 2.03 2gx2B1 LYS 9 HG2 0.01 0.03 0.01 -0.04 1.46 1.47 2gx2B1 LYS 9 HG3 -0.00 -0.02 -0.00 -0.04 1.46 1.40 2gx2B1 LYS 9 HD2 -0.01 -0.03 0.00 -0.04 1.69 1.61 2gx2B1 LYS 9 HD3 -0.01 0.02 0.05 -0.04 1.68 1.70 2gx2B1 LYS 9 HE2 -0.01 -0.02 0.00 -0.04 2.99 2.93 2gx2B1 LYS 9 HE3 -0.00 0.00 -0.01 -0.04 2.99 2.94 2gx2B1 ILE 10 H 0.00 0.53 0.39 -0.55 8.25 8.61 2gx2B1 ILE 10 HA -0.00 0.25 0.95 -0.75 4.18 4.62 2gx2B1 ILE 10 HB -0.06 -0.17 -0.05 -0.04 1.89 1.57 2gx2B1 ILE 10 HG12 0.32 0.07 -0.18 -0.04 1.49 1.66 2gx2B1 ILE 10 HG13 0.17 -0.08 -0.75 -0.04 1.21 0.51 2gx2B1 ILE 10 HG23 -0.40 0.01 -0.24 -0.04 0.93 0.26 2gx2B1 ILE 10 HD13 -0.19 0.02 -0.24 -0.04 0.88 0.43 2gx2B1 LYS 11 H -0.20 0.73 0.35 -0.55 8.42 8.75 2gx2B1 LYS 11 HA -0.06 0.22 0.97 -0.75 4.32 4.70 2gx2B1 LYS 11 HB2 -0.03 -0.03 -0.00 -0.04 1.87 1.76 2gx2B1 LYS 11 HB3 -0.03 -0.00 0.15 -0.04 1.79 1.87 2gx2B1 LYS 11 HG2 -0.01 0.01 -0.02 -0.04 1.46 1.40 2gx2B1 LYS 11 HG3 -0.01 0.04 0.20 -0.04 1.46 1.65 2gx2B1 LYS 11 HD2 -0.01 -0.02 0.03 -0.04 1.69 1.65 2gx2B1 LYS 11 HD3 -0.00 -0.01 -0.01 -0.04 1.68 1.62 2gx2B1 LYS 11 HE2 0.01 0.01 -0.00 -0.04 2.99 2.96 2gx2B1 LYS 11 HE3 0.00 -0.00 0.04 -0.04 2.99 2.99 2gx2B1 LEU 12 H -0.02 0.58 0.40 -0.55 8.37 8.78 2gx2B1 LEU 12 HA 0.06 0.24 0.96 -0.75 4.35 4.86 2gx2B1 LEU 12 HB2 0.30 0.01 0.00 -0.04 1.64 1.92 2gx2B1 LEU 12 HB3 -0.03 0.04 -0.24 -0.04 1.64 1.38 2gx2B1 LEU 12 HG 0.04 -0.04 -0.11 -0.04 1.64 1.49 2gx2B1 LEU 12 HD13 0.24 -0.01 -0.44 -0.04 0.93 0.68 2gx2B1 LEU 12 HD23 0.28 0.01 -0.24 -0.04 0.89 0.90 2gx2B1 ARG 13 H 0.14 0.47 0.27 -0.55 8.46 8.79 2gx2B1 ARG 13 HA 0.12 0.19 0.95 -0.75 4.34 4.84 2gx2B1 ARG 13 HB2 0.06 0.01 0.03 -0.04 1.90 1.96 2gx2B1 ARG 13 HB3 0.06 -0.00 0.17 -0.04 1.80 1.98 2gx2B1 ARG 13 HG2 0.05 -0.00 -0.25 -0.04 1.67 1.43 2gx2B1 ARG 13 HG3 0.07 0.03 0.05 -0.04 1.67 1.78 2gx2B1 ARG 13 HD2 0.04 -0.02 0.00 -0.04 3.22 3.20 2gx2B1 ARG 13 HD3 0.03 -0.01 -0.01 -0.04 3.22 3.18 2gx2B1 MET 14 H 0.19 0.85 0.41 -0.55 8.47 9.37 2gx2B1 MET 14 HA 0.07 0.28 1.02 -0.75 4.52 5.13 2gx2B1 MET 14 HB2 0.22 0.01 -0.10 -0.04 2.15 2.24 2gx2B1 MET 14 HB3 0.35 -0.05 0.09 -0.04 2.03 2.37 2gx2B1 MET 14 HG2 -0.01 0.01 -0.54 -0.04 2.63 2.05 2gx2B1 MET 14 HG3 0.01 0.02 -0.27 -0.04 2.56 2.29 2gx2B1 MET 14 HE3 -0.70 0.01 -0.20 -0.04 2.10 1.17 2gx2B1 GLU 15 H -0.03 0.64 0.34 -0.55 8.60 9.00 2gx2B1 GLU 15 HA -0.13 0.19 1.03 -0.75 4.29 4.62 2gx2B1 GLU 15 HB2 -0.05 0.04 0.22 -0.04 2.09 2.26 2gx2B1 GLU 15 HB3 -0.08 0.00 0.14 -0.04 1.99 2.01 2gx2B1 GLU 15 HG2 -0.03 0.01 0.12 -0.04 2.34 2.40 2gx2B1 GLU 15 HG3 -0.00 -0.03 -0.22 -0.04 2.34 2.04 2gx2B1 GLY 16 H -0.56 0.63 0.37 -0.55 8.43 8.33 2gx2B1 GLY 16 HA2 -0.16 0.07 0.58 -0.51 4.01 3.99 2gx2B1 GLY 16 HA3 -0.35 0.02 0.54 -0.51 4.01 3.71 2gx2B1 ALA 17 H 0.09 0.59 0.39 -0.55 8.40 8.93 2gx2B1 ALA 17 HA 0.26 0.32 0.52 -0.75 4.34 4.70 2gx2B1 ALA 17 HB3 0.04 -0.02 -0.25 -0.04 1.41 1.14 2gx2B1 VAL 18 H 0.28 0.64 0.18 -0.55 8.24 8.78 2gx2B1 VAL 18 HA 0.11 0.16 0.96 -0.75 4.13 4.60 2gx2B1 VAL 18 HB -0.23 0.09 0.06 -0.04 2.12 2.00 2gx2B1 VAL 18 HG13 -0.17 -0.01 -0.18 -0.04 0.97 0.56 2gx2B1 VAL 18 HG23 -0.76 -0.01 -0.22 -0.04 0.95 -0.08 2gx2B1 ASN 19 H 0.12 0.58 0.23 -0.55 8.53 8.91 2gx2B1 ASN 19 HA 0.08 -0.07 0.43 -0.75 4.76 4.44 2gx2B1 ASN 19 HB2 0.21 0.18 -0.16 -0.04 2.88 3.07 2gx2B1 ASN 19 HB3 0.14 0.04 0.24 -0.04 2.79 3.17 2gx2B1 ASN 19 HD21 0.19 0.22 0.02 -0.04 7.03 7.42 2gx2B1 ASN 19 HD22 0.14 0.06 -0.02 -0.04 7.74 7.88 2gx2B1 GLY 20 H 0.03 0.08 -0.33 -0.55 8.43 7.67 2gx2B1 GLY 20 HA2 -0.05 -0.02 0.22 -0.51 4.01 3.66 2gx2B1 GLY 20 HA3 -0.15 0.12 0.47 -0.51 4.01 3.93 2gx2B1 HIS 21 H 0.13 0.41 -0.36 -0.55 8.41 8.05 2gx2B1 HIS 21 HA 0.09 0.21 0.96 -0.75 4.63 5.14 2gx2B1 HIS 21 HB2 0.15 0.03 0.18 -0.04 3.26 3.58 2gx2B1 HIS 21 HB3 0.14 0.07 0.06 -0.04 3.20 3.42 2gx2B1 HIS 21 HD2 0.06 -0.00 0.02 -0.04 6.97 7.01 2gx2B1 HIS 21 HE1 0.05 -0.05 0.03 -0.04 7.75 7.73 2gx2B1 PRO 22 HA 0.08 0.31 0.83 -0.51 4.44 5.15 2gx2B1 PRO 22 HB2 0.03 -0.00 0.04 -0.04 2.28 2.30 2gx2B1 PRO 22 HB3 0.02 -0.01 0.11 -0.04 2.02 2.09 2gx2B1 PRO 22 HG2 0.11 -0.00 0.07 -0.04 2.03 2.17 2gx2B1 PRO 22 HG3 0.05 0.01 0.08 -0.04 2.03 2.13 2gx2B1 PRO 22 HD2 0.15 0.08 0.30 -0.04 3.68 4.17 2gx2B1 PRO 22 HD3 0.05 0.22 0.18 -0.04 3.65 4.07 2gx2B1 PHE 23 H -0.24 0.58 0.40 -0.55 8.34 8.52 2gx2B1 PHE 23 HA 0.09 0.09 0.37 -0.75 4.62 4.41 2gx2B1 PHE 23 HB2 0.11 0.06 0.13 -0.04 3.15 3.41 2gx2B1 PHE 23 HB3 0.16 0.14 -0.15 -0.04 3.06 3.17 2gx2B1 PHE 23 HD2 0.17 0.10 -0.31 -0.04 7.28 7.20 2gx2B1 PHE 23 HE2 0.02 -0.06 -0.34 -0.04 7.38 6.96 2gx2B1 PHE 23 HZ -0.21 -0.01 -0.25 -0.04 7.32 6.80 2gx2B1 ALA 24 H 0.25 0.50 0.37 -0.55 8.40 8.98 2gx2B1 ALA 24 HA 0.02 0.32 0.94 -0.75 4.34 4.87 2gx2B1 ALA 24 HB3 0.05 -0.01 0.09 -0.04 1.41 1.50 2gx2B1 ILE 25 H 0.18 0.68 0.38 -0.55 8.25 8.94 2gx2B1 ILE 25 HA 0.17 0.16 1.13 -0.75 4.18 4.88 2gx2B1 ILE 25 HB 0.46 -0.05 0.01 -0.04 1.89 2.27 2gx2B1 ILE 25 HG12 0.26 0.01 -0.09 -0.04 1.49 1.63 2gx2B1 ILE 25 HG13 0.47 -0.10 -0.58 -0.04 1.21 0.96 2gx2B1 ILE 25 HG23 0.09 0.01 -0.28 -0.04 0.93 0.71 2gx2B1 ILE 25 HD13 0.30 0.00 -0.18 -0.04 0.88 0.96 2gx2B1 GLU 26 H 0.08 0.64 0.43 -0.55 8.60 9.20 2gx2B1 GLU 26 HA 0.08 0.25 1.11 -0.75 4.29 4.98 2gx2B1 GLU 26 HB2 0.04 -0.02 0.17 -0.04 2.09 2.24 2gx2B1 GLU 26 HB3 0.03 0.06 0.23 -0.04 1.99 2.27 2gx2B1 GLU 26 HG2 0.06 0.05 0.11 -0.04 2.34 2.52 2gx2B1 GLU 26 HG3 0.06 -0.10 -0.12 -0.04 2.34 2.14 2gx2B1 GLY 27 H 0.02 0.57 0.41 -0.55 8.43 8.89 2gx2B1 GLY 27 HA2 -0.04 0.21 0.83 -0.51 4.01 4.50 2gx2B1 GLY 27 HA3 -0.07 -0.01 0.37 -0.51 4.01 3.80 2gx2B1 VAL 28 H -0.04 0.55 0.44 -0.55 8.24 8.64 2gx2B1 VAL 28 HA -0.04 0.31 0.94 -0.75 4.13 4.58 2gx2B1 VAL 28 HB -0.03 0.05 0.24 -0.04 2.12 2.34 2gx2B1 VAL 28 HG13 -0.02 -0.02 -0.02 -0.04 0.97 0.88 2gx2B1 VAL 28 HG23 -0.02 -0.02 0.07 -0.04 0.95 0.94 2gx2B1 GLY 29 H -0.04 0.58 0.47 -0.55 8.43 8.89 2gx2B1 GLY 29 HA2 -0.06 0.03 0.70 -0.51 4.01 4.18 2gx2B1 GLY 29 HA3 -0.07 0.14 0.62 -0.51 4.01 4.19 2gx2B1 LEU 30 H -0.11 0.67 0.49 -0.55 8.37 8.87 2gx2B1 LEU 30 HA 0.02 0.22 0.91 -0.75 4.35 4.74 2gx2B1 LEU 30 HB2 0.01 0.07 0.17 -0.04 1.64 1.85 2gx2B1 LEU 30 HB3 -0.01 -0.00 -0.08 -0.04 1.64 1.51 2gx2B1 LEU 30 HG -0.05 0.00 -0.17 -0.04 1.64 1.38 2gx2B1 LEU 30 HD13 -0.00 -0.01 -0.06 -0.04 0.93 0.82 2gx2B1 LEU 30 HD23 -0.06 0.01 -0.02 -0.04 0.89 0.78 2gx2B1 GLY 31 H 0.09 0.64 0.45 -0.55 8.43 9.08 2gx2B1 GLY 31 HA2 -0.09 0.03 0.63 -0.51 4.01 4.07 2gx2B1 GLY 31 HA3 -0.39 0.07 0.47 -0.51 4.01 3.65 2gx2B1 LYS 32 H 0.13 0.76 0.29 -0.55 8.42 9.05 2gx2B1 LYS 32 HA 0.19 0.50 1.02 -0.75 4.32 5.27 2gx2B1 LYS 32 HB2 0.13 -0.16 0.29 -0.04 1.87 2.08 2gx2B1 LYS 32 HB3 0.15 -0.00 0.18 -0.04 1.79 2.07 2gx2B1 LYS 32 HG2 0.07 -0.07 -0.17 -0.04 1.46 1.25 2gx2B1 LYS 32 HG3 0.06 -0.03 0.01 -0.04 1.46 1.47 2gx2B1 LYS 32 HD2 0.09 -0.04 0.03 -0.04 1.69 1.73 2gx2B1 LYS 32 HD3 0.09 0.17 0.03 -0.04 1.68 1.94 2gx2B1 LYS 32 HE2 0.04 -0.01 -0.06 -0.04 2.99 2.92 2gx2B1 LYS 32 HE3 0.04 -0.02 -0.03 -0.04 2.99 2.94 2gx2B1 PRO 33 HA -0.00 0.05 0.35 -0.51 4.44 4.33 2gx2B1 PRO 33 HB2 -0.66 -0.01 -0.00 -0.04 2.28 1.57 2gx2B1 PRO 33 HB3 -0.45 0.11 -0.02 -0.04 2.02 1.62 2gx2B1 PRO 33 HG2 -0.11 0.11 -0.02 -0.04 2.03 1.97 2gx2B1 PRO 33 HG3 -0.32 -0.01 -0.11 -0.04 2.03 1.55 2gx2B1 PRO 33 HD2 0.09 0.20 0.14 -0.04 3.68 4.06 2gx2B1 PRO 33 HD3 0.28 0.26 -0.05 -0.04 3.65 4.09 2gx2B1 PHE 34 H 0.04 0.15 -0.15 -0.55 8.34 7.84 2gx2B1 PHE 34 HA 0.09 0.17 0.54 -0.75 4.62 4.66 2gx2B1 PHE 34 HB2 0.06 -0.02 0.03 -0.04 3.15 3.18 2gx2B1 PHE 34 HB3 0.06 0.01 0.08 -0.04 3.06 3.17 2gx2B1 PHE 34 HD2 0.05 -0.00 -0.02 -0.04 7.28 7.27 2gx2B1 PHE 34 HE2 0.03 0.03 -0.21 -0.04 7.38 7.18 2gx2B1 PHE 34 HZ 0.02 0.05 -0.03 -0.04 7.32 7.32 2gx2B1 GLU 35 H 0.19 0.20 -0.30 -0.55 8.60 8.14 2gx2B1 GLU 35 HA 0.16 0.16 0.78 -0.75 4.29 4.63 2gx2B1 GLU 35 HB2 0.12 0.01 0.10 -0.04 2.09 2.29 2gx2B1 GLU 35 HB3 0.09 -0.01 0.11 -0.04 1.99 2.14 2gx2B1 GLU 35 HG2 0.16 -0.06 -0.04 -0.04 2.34 2.36 2gx2B1 GLU 35 HG3 0.09 -0.01 0.01 -0.04 2.34 2.40 2gx2B1 GLY 36 H 0.17 0.28 -0.33 -0.55 8.43 8.00 2gx2B1 GLY 36 HA2 0.18 -0.00 -0.28 -0.51 4.01 3.40 2gx2B1 GLY 36 HA3 0.17 0.15 0.46 -0.51 4.01 4.29 2gx2B1 LYS 37 H 0.17 0.21 -0.07 -0.55 8.42 8.17 2gx2B1 LYS 37 HA 0.11 0.41 1.15 -0.75 4.32 5.24 2gx2B1 LYS 37 HB2 0.04 -0.11 0.05 -0.04 1.87 1.81 2gx2B1 LYS 37 HB3 -0.00 0.00 0.05 -0.04 1.79 1.80 2gx2B1 LYS 37 HG2 -0.16 0.04 -0.06 -0.04 1.46 1.24 2gx2B1 LYS 37 HG3 0.03 0.15 -0.36 -0.04 1.46 1.23 2gx2B1 LYS 37 HD2 -0.03 -0.06 -0.03 -0.04 1.69 1.53 2gx2B1 LYS 37 HD3 -0.09 -0.02 -0.03 -0.04 1.68 1.49 2gx2B1 LYS 37 HE2 -0.58 -0.00 -0.04 -0.04 2.99 2.33 2gx2B1 LYS 37 HE3 -0.16 0.08 -0.02 -0.04 2.99 2.85 2gx2B1 GLN 38 H -0.04 0.50 0.40 -0.55 8.47 8.78 2gx2B1 GLN 38 HA -0.27 0.11 0.85 -0.75 4.36 4.30 2gx2B1 GLN 38 HB2 -0.61 0.03 -0.00 -0.04 2.15 1.53 2gx2B1 GLN 38 HB3 -0.87 0.02 -0.25 -0.04 2.02 0.88 2gx2B1 GLN 38 HG2 -0.07 0.09 -0.13 -0.04 2.40 2.25 2gx2B1 GLN 38 HG3 -0.11 -0.09 -0.28 -0.04 2.39 1.87 2gx2B1 GLN 38 HE21 0.19 0.12 -0.32 -0.04 6.97 6.92 2gx2B1 GLN 38 HE22 0.11 0.02 -0.25 -0.04 7.69 7.53 2gx2B1 SER 39 H -0.26 0.67 0.45 -0.55 8.46 8.78 2gx2B1 SER 39 HA -0.35 0.35 0.96 -0.75 4.49 4.69 2gx2B1 SER 39 HB2 -0.89 -0.01 0.13 -0.04 3.95 3.13 2gx2B1 SER 39 HB3 -0.93 0.00 -0.07 -0.04 3.93 2.88 2gx2B1 MET 40 H -0.12 0.56 0.44 -0.55 8.47 8.81 2gx2B1 MET 40 HA -0.08 0.11 0.83 -0.75 4.52 4.63 2gx2B1 MET 40 HB2 -0.05 0.06 -0.09 -0.04 2.15 2.03 2gx2B1 MET 40 HB3 -0.05 0.05 -0.19 -0.04 2.03 1.79 2gx2B1 MET 40 HG2 0.01 0.01 -0.12 -0.04 2.63 2.48 2gx2B1 MET 40 HG3 -0.03 -0.06 -0.23 -0.04 2.56 2.19 2gx2B1 MET 40 HE3 0.14 0.05 -0.27 -0.04 2.10 1.98 2gx2B1 ASP 41 H -0.05 0.77 0.46 -0.55 8.40 9.04 2gx2B1 ASP 41 HA -0.03 0.27 1.13 -0.75 4.63 5.24 2gx2B1 ASP 41 HB2 -0.03 0.01 0.25 -0.04 2.71 2.90 2gx2B1 ASP 41 HB3 -0.03 -0.00 0.06 -0.04 2.70 2.69 2gx2B1 LEU 42 H -0.06 0.70 0.41 -0.55 8.37 8.87 2gx2B1 LEU 42 HA -0.10 0.26 1.10 -0.75 4.35 4.85 2gx2B1 LEU 42 HB2 -0.07 -0.07 0.08 -0.04 1.64 1.54 2gx2B1 LEU 42 HB3 -0.25 0.02 -0.06 -0.04 1.64 1.31 2gx2B1 LEU 42 HG -0.17 -0.07 -0.36 -0.04 1.64 1.00 2gx2B1 LEU 42 HD13 -0.24 -0.01 -0.16 -0.04 0.93 0.48 2gx2B1 LEU 42 HD23 -0.71 0.01 -0.23 -0.04 0.89 -0.09 2gx2B1 LYS 43 H -0.01 0.86 0.44 -0.55 8.42 9.15 2gx2B1 LYS 43 HA 0.02 0.40 1.21 -0.75 4.32 5.20 2gx2B1 LYS 43 HB2 0.02 -0.04 0.14 -0.04 1.87 1.94 2gx2B1 LYS 43 HB3 0.02 0.06 -0.02 -0.04 1.79 1.80 2gx2B1 LYS 43 HG2 -0.01 0.02 -0.02 -0.04 1.46 1.41 2gx2B1 LYS 43 HG3 -0.01 -0.04 -0.28 -0.04 1.46 1.09 2gx2B1 LYS 43 HD2 0.00 -0.01 -0.05 -0.04 1.69 1.59 2gx2B1 LYS 43 HD3 0.00 0.02 -0.03 -0.04 1.68 1.63 2gx2B1 LYS 43 HE2 -0.01 -0.01 -0.07 -0.04 2.99 2.86 2gx2B1 LYS 43 HE3 -0.00 -0.01 -0.04 -0.04 2.99 2.90 2gx2B1 VAL 44 H 0.07 0.56 0.35 -0.55 8.24 8.66 2gx2B1 VAL 44 HA 0.15 0.06 0.75 -0.75 4.13 4.34 2gx2B1 VAL 44 HB 0.07 -0.06 0.23 -0.04 2.12 2.32 2gx2B1 VAL 44 HG13 0.11 -0.02 -0.15 -0.04 0.97 0.87 2gx2B1 VAL 44 HG23 0.16 0.02 0.02 -0.04 0.95 1.11 2gx2B1 LYS 45 H 0.12 0.59 0.51 -0.55 8.42 9.08 2gx2B1 LYS 45 HA 0.06 0.16 0.85 -0.75 4.32 4.63 2gx2B1 LYS 45 HB2 0.07 -0.02 0.01 -0.04 1.87 1.90 2gx2B1 LYS 45 HB3 0.05 -0.02 0.05 -0.04 1.79 1.83 2gx2B1 LYS 45 HG2 0.07 0.06 0.07 -0.04 1.46 1.62 2gx2B1 LYS 45 HG3 0.05 -0.02 -0.01 -0.04 1.46 1.44 2gx2B1 LYS 45 HD2 0.04 0.07 -0.25 -0.04 1.69 1.51 2gx2B1 LYS 45 HD3 0.03 -0.02 -0.05 -0.04 1.68 1.61 2gx2B1 LYS 45 HE2 0.03 -0.01 0.00 -0.04 2.99 2.97 2gx2B1 LYS 45 HE3 0.03 0.00 0.04 -0.04 2.99 3.03 2gx2B1 GLU 46 H 0.13 0.38 0.36 -0.55 8.60 8.92 2gx2B1 GLU 46 HA 0.07 0.18 0.81 -0.75 4.29 4.60 2gx2B1 GLU 46 HB2 0.09 -0.09 0.04 -0.04 2.09 2.09 2gx2B1 GLU 46 HB3 0.08 0.05 0.03 -0.04 1.99 2.11 2gx2B1 GLU 46 HG2 0.05 0.06 -0.02 -0.04 2.34 2.40 2gx2B1 GLU 46 HG3 0.06 -0.06 -0.50 -0.04 2.34 1.80 2gx2B1 GLY 47 H 0.08 0.18 0.13 -0.55 8.43 8.29 2gx2B1 GLY 47 HA2 0.11 0.07 0.35 -0.51 4.01 4.03 2gx2B1 GLY 47 HA3 0.20 0.19 0.68 -0.51 4.01 4.57 2gx2B1 GLY 48 H 0.07 -0.01 -0.35 -0.55 8.43 7.59 2gx2B1 GLY 48 HA2 -0.01 0.02 0.27 -0.51 4.01 3.78 2gx2B1 GLY 48 HA3 0.03 -0.01 0.18 -0.51 4.01 3.71 2gx2B1 PRO 49 HA -0.02 -0.05 0.38 -0.51 4.44 4.24 2gx2B1 PRO 49 HB2 -0.03 0.15 -0.02 -0.04 2.28 2.34 2gx2B1 PRO 49 HB3 -0.01 -0.08 0.10 -0.04 2.02 1.99 2gx2B1 PRO 49 HG2 -0.03 0.07 0.09 -0.04 2.03 2.12 2gx2B1 PRO 49 HG3 -0.02 -0.01 0.07 -0.04 2.03 2.03 2gx2B1 PRO 49 HD2 -0.01 0.14 0.42 -0.04 3.68 4.20 2gx2B1 PRO 49 HD3 -0.00 0.01 0.10 -0.04 3.65 3.72 2gx2B1 LEU 50 H -0.12 0.08 0.11 -0.55 8.37 7.89 2gx2B1 LEU 50 HA -0.27 0.20 0.44 -0.75 4.35 3.96 2gx2B1 LEU 50 HB2 -0.49 0.03 0.11 -0.04 1.64 1.25 2gx2B1 LEU 50 HB3 -1.42 -0.06 -0.00 -0.04 1.64 0.12 2gx2B1 LEU 50 HG -0.14 -0.07 0.01 -0.04 1.64 1.40 2gx2B1 LEU 50 HD13 -0.35 -0.01 -0.09 -0.04 0.93 0.45 2gx2B1 LEU 50 HD23 -0.26 0.04 -0.15 -0.04 0.89 0.48 2gx2B1 PRO 51 HA -0.12 0.14 0.56 -0.51 4.44 4.52 2gx2B1 PRO 51 HB2 -0.01 -0.01 0.14 -0.04 2.28 2.36 2gx2B1 PRO 51 HB3 -0.06 0.05 0.13 -0.04 2.02 2.10 2gx2B1 PRO 51 HG2 0.23 -0.05 -0.06 -0.04 2.03 2.11 2gx2B1 PRO 51 HG3 0.03 0.04 0.06 -0.04 2.03 2.12 2gx2B1 PRO 51 HD2 -0.11 -0.00 0.19 -0.04 3.68 3.72 2gx2B1 PRO 51 HD3 -0.06 0.33 0.24 -0.04 3.65 4.12 2gx2B1 PHE 52 H -0.80 0.08 -0.46 -0.55 8.34 6.60 2gx2B1 PHE 52 HA -0.17 0.33 0.84 -0.75 4.62 4.87 2gx2B1 PHE 52 HB2 -0.30 -0.12 -0.11 -0.04 3.15 2.57 2gx2B1 PHE 52 HB3 -0.18 0.03 -0.25 -0.04 3.06 2.62 2gx2B1 PHE 52 HD2 -0.22 0.11 -0.35 -0.04 7.28 6.78 2gx2B1 PHE 52 HE2 -0.49 0.04 -0.18 -0.04 7.38 6.71 2gx2B1 PHE 52 HZ -1.67 0.00 -0.20 -0.04 7.32 5.42 2gx2B1 ALA 53 H -0.06 0.28 0.16 -0.55 8.40 8.23 2gx2B1 ALA 53 HA -0.24 0.12 0.43 -0.75 4.34 3.89 2gx2B1 ALA 53 HB3 -0.15 -0.01 0.12 -0.04 1.41 1.32 2gx2B1 TYR 54 H -0.37 0.27 0.17 -0.55 8.29 7.81 2gx2B1 TYR 54 HA -0.17 0.11 0.25 -0.75 4.56 3.99 2gx2B1 TYR 54 HB2 -0.73 0.12 0.11 -0.04 3.06 2.52 2gx2B1 TYR 54 HB3 -0.31 -0.01 -0.03 -0.04 2.98 2.59 2gx2B1 TYR 54 HD2 -0.03 0.00 -0.13 -0.04 7.15 6.95 2gx2B1 TYR 54 HE2 0.10 0.02 -0.11 -0.04 6.85 6.83 2gx2B1 ASP 55 H -0.04 0.11 -0.39 -0.55 8.40 7.54 2gx2B1 ASP 55 HA 0.28 0.04 0.24 -0.75 4.63 4.45 2gx2B1 ASP 55 HB2 -0.17 -0.02 -0.16 -0.04 2.71 2.32 2gx2B1 ASP 55 HB3 -0.42 0.01 -0.16 -0.04 2.70 2.09 2gx2B1 ILE 56 H 0.08 0.46 -0.46 -0.55 8.25 7.78 2gx2B1 ILE 56 HA 0.65 0.06 0.29 -0.75 4.18 4.42 2gx2B1 ILE 56 HB 0.36 -0.02 -0.03 -0.04 1.89 2.17 2gx2B1 ILE 56 HG12 0.03 0.34 -0.10 -0.04 1.49 1.72 2gx2B1 ILE 56 HG13 -0.11 0.03 -0.44 -0.04 1.21 0.65 2gx2B1 ILE 56 HG23 -0.13 -0.01 -0.09 -0.04 0.93 0.66 2gx2B1 ILE 56 HD13 -0.43 -0.03 -0.17 -0.04 0.88 0.21 2gx2B1 LEU 57 H 0.04 0.53 -0.43 -0.55 8.37 7.96 2gx2B1 LEU 57 HA -0.29 0.17 0.60 -0.75 4.35 4.07 2gx2B1 LEU 57 HB2 -0.28 0.11 -0.09 -0.04 1.64 1.34 2gx2B1 LEU 57 HB3 -0.53 -0.04 -0.11 -0.04 1.64 0.92 2gx2B1 LEU 57 HG -0.25 -0.01 -0.16 -0.04 1.64 1.17 2gx2B1 LEU 57 HD13 -0.56 0.00 -0.14 -0.04 0.93 0.19 2gx2B1 LEU 57 HD23 -1.01 0.00 -0.26 -0.04 0.89 -0.42 2gx2B1 THR 58 H 0.31 0.22 -0.19 -0.55 8.28 8.08 2gx2B1 THR 58 HA 0.49 0.05 0.17 -0.75 4.39 4.34 2gx2B1 THR 58 HB 0.36 0.02 -0.14 -0.04 4.32 4.52 2gx2B1 THR 58 HG23 0.46 0.02 -0.13 -0.04 1.22 1.53 2gx2B1 THR 59 H 0.18 0.18 -0.33 -0.55 8.28 7.76 2gx2B1 THR 59 HA 0.04 0.12 0.27 -0.75 4.39 4.06 2gx2B1 THR 59 HB -0.05 0.03 -0.07 -0.04 4.32 4.19 2gx2B1 THR 59 HG23 -0.42 -0.01 -0.13 -0.04 1.22 0.63 2gx2B1 VAL 60 H 0.07 0.32 -0.65 -0.55 8.24 7.43 2gx2B1 VAL 60 HA 0.41 0.11 0.49 -0.75 4.13 4.39 2gx2B1 VAL 60 HB -0.15 0.15 -0.02 -0.04 2.12 2.06 2gx2B1 VAL 60 HG13 0.14 -0.02 -0.18 -0.04 0.97 0.87 2gx2B1 VAL 60 HG23 0.35 -0.03 -0.18 -0.04 0.95 1.05 2gx2B1 PHE 61 H 0.07 0.24 -0.28 -0.55 8.34 7.83 2gx2B1 PHE 61 HA 0.24 0.05 0.10 -0.75 4.62 4.25 2gx2B1 PHE 61 HB2 0.18 0.13 -0.06 -0.04 3.15 3.36 2gx2B1 PHE 61 HB3 0.20 -0.04 -0.14 -0.04 3.06 3.04 2gx2B1 PHE 61 HD2 0.18 -0.01 -0.27 -0.04 7.28 7.14 2gx2B1 PHE 61 HE2 -0.01 -0.03 -0.24 -0.04 7.38 7.06 2gx2B1 PHE 61 HZ 0.08 -0.03 -0.20 -0.04 7.32 7.13 2gx2B1 ASN 65 HA 0.27 -0.09 0.13 -0.75 4.76 4.32 2gx2B1 ASN 65 HB2 -0.02 0.09 0.10 -0.04 2.88 3.01 2gx2B1 ASN 65 HB3 0.41 0.02 0.05 -0.04 2.79 3.23 2gx2B1 ASN 65 HD21 -0.76 0.03 -0.13 -0.04 7.03 6.13 2gx2B1 ASN 65 HD22 0.36 0.06 -0.10 -0.04 7.74 8.02 2gx2B1 ARG 66 H -0.10 0.14 -0.07 -0.55 8.46 7.88 2gx2B1 ARG 66 HA -0.18 0.20 0.15 -0.75 4.34 3.76 2gx2B1 ARG 66 HB2 -0.86 0.03 -0.05 -0.04 1.90 0.98 2gx2B1 ARG 66 HB3 -2.81 -0.06 -0.13 -0.04 1.80 -1.24 2gx2B1 ARG 66 HG2 -0.72 -0.04 -0.13 -0.04 1.67 0.75 2gx2B1 ARG 66 HG3 -0.36 0.01 -0.06 -0.04 1.67 1.21 2gx2B1 ARG 66 HD2 -0.10 -0.03 -0.17 -0.04 3.22 2.89 2gx2B1 ARG 66 HD3 -0.06 0.10 -0.20 -0.04 3.22 3.02 2gx2B1 VAL 67 H -0.06 0.09 -0.82 -0.55 8.24 6.89 2gx2B1 VAL 67 HA -0.04 -0.03 0.35 -0.75 4.13 3.65 2gx2B1 VAL 67 HB 0.05 -0.03 -0.14 -0.04 2.12 1.95 2gx2B1 VAL 67 HG13 -1.12 0.02 -0.29 -0.04 0.97 -0.47 2gx2B1 VAL 67 HG23 -0.16 -0.01 -0.18 -0.04 0.95 0.56 2gx2B1 PHE 68 H 0.01 0.44 -0.37 -0.55 8.34 7.86 2gx2B1 PHE 68 HA -0.02 0.07 0.52 -0.75 4.62 4.43 2gx2B1 PHE 68 HB2 0.02 0.19 -0.03 -0.04 3.15 3.29 2gx2B1 PHE 68 HB3 0.04 -0.03 -0.23 -0.04 3.06 2.80 2gx2B1 PHE 68 HD2 0.02 0.07 -0.30 -0.04 7.28 7.03 2gx2B1 PHE 68 HE2 0.06 0.00 -0.26 -0.04 7.38 7.15 2gx2B1 PHE 68 HZ 0.23 0.05 -0.24 -0.04 7.32 7.32 2gx2B1 ALA 69 H 0.07 0.59 -0.29 -0.55 8.40 8.22 2gx2B1 ALA 69 HA 0.06 0.24 0.60 -0.75 4.34 4.49 2gx2B1 ALA 69 HB3 0.03 -0.01 -0.23 -0.04 1.41 1.16 2gx2B1 LYS 70 H 0.06 0.59 0.23 -0.55 8.42 8.75 2gx2B1 LYS 70 HA 0.16 0.15 0.59 -0.75 4.32 4.46 2gx2B1 LYS 70 HB2 0.14 0.05 -0.26 -0.04 1.87 1.75 2gx2B1 LYS 70 HB3 0.07 -0.10 0.23 -0.04 1.79 1.94 2gx2B1 LYS 70 HG2 0.10 -0.09 -0.22 -0.04 1.46 1.20 2gx2B1 LYS 70 HG3 0.15 0.27 0.08 -0.04 1.46 1.92 2gx2B1 LYS 70 HD2 0.13 0.04 0.06 -0.04 1.69 1.88 2gx2B1 LYS 70 HD3 0.10 -0.06 0.01 -0.04 1.68 1.68 2gx2B1 LYS 70 HE2 0.08 -0.06 -0.04 -0.04 2.99 2.92 2gx2B1 LYS 70 HE3 0.10 0.03 0.01 -0.04 2.99 3.09 2gx2B1 TYR 71 H 0.28 0.25 0.26 -0.55 8.29 8.53 2gx2B1 TYR 71 HA 0.03 0.11 0.89 -0.75 4.56 4.84 2gx2B1 TYR 71 HB2 0.05 -0.01 0.16 -0.04 3.06 3.22 2gx2B1 TYR 71 HB3 0.02 0.16 -0.04 -0.04 2.98 3.08 2gx2B1 TYR 71 HD2 -0.04 0.18 -0.20 -0.04 7.15 7.05 2gx2B1 TYR 71 HE2 -0.23 0.07 -0.10 -0.04 6.85 6.55 2gx2B1 PRO 72 HA 0.08 0.09 0.50 -0.51 4.44 4.60 2gx2B1 PRO 72 HB2 0.06 -0.11 -0.04 -0.04 2.28 2.14 2gx2B1 PRO 72 HB3 0.05 -0.01 0.12 -0.04 2.02 2.15 2gx2B1 PRO 72 HG2 0.04 -0.02 0.04 -0.04 2.03 2.05 2gx2B1 PRO 72 HG3 0.04 0.09 0.06 -0.04 2.03 2.19 2gx2B1 PRO 72 HD2 -0.01 0.01 0.07 -0.04 3.68 3.72 2gx2B1 PRO 72 HD3 -0.06 0.35 0.28 -0.04 3.65 4.17 2gx2B1 GLU 73 H 0.06 0.12 0.16 -0.55 8.60 8.39 2gx2B1 GLU 73 HA 0.06 0.20 0.45 -0.75 4.29 4.24 2gx2B1 GLU 73 HB2 0.03 -0.04 0.12 -0.04 2.09 2.16 2gx2B1 GLU 73 HB3 0.03 0.02 0.07 -0.04 1.99 2.06 2gx2B1 GLU 73 HG2 0.04 0.06 0.05 -0.04 2.34 2.45 2gx2B1 GLU 73 HG3 0.04 -0.00 0.08 -0.04 2.34 2.42 2gx2B1 ASN 74 H 0.05 0.01 -0.29 -0.55 8.53 7.75 2gx2B1 ASN 74 HA 0.03 0.19 0.61 -0.75 4.76 4.84 2gx2B1 ASN 74 HB2 0.03 0.02 0.14 -0.04 2.88 3.03 2gx2B1 ASN 74 HB3 0.03 -0.02 0.02 -0.04 2.79 2.78 2gx2B1 ASN 74 HD21 0.05 -0.05 -0.02 -0.04 7.03 6.97 2gx2B1 ASN 74 HD22 0.04 0.02 0.01 -0.04 7.74 7.77 2gx2B1 ILE 75 H 0.06 0.45 -0.58 -0.55 8.25 7.62 2gx2B1 ILE 75 HA -0.01 0.12 0.84 -0.75 4.18 4.38 2gx2B1 ILE 75 HB 0.12 0.06 -0.06 -0.04 1.89 1.97 2gx2B1 ILE 75 HG12 0.00 0.08 -0.18 -0.04 1.49 1.36 2gx2B1 ILE 75 HG13 0.03 -0.18 -0.50 -0.04 1.21 0.52 2gx2B1 ILE 75 HG23 -0.24 0.05 -0.14 -0.04 0.93 0.55 2gx2B1 ILE 75 HD13 -0.02 -0.01 -0.26 -0.04 0.88 0.55 2gx2B1 VAL 76 H -0.04 0.07 0.04 -0.55 8.24 7.75 2gx2B1 VAL 76 HA -0.05 0.07 0.37 -0.75 4.13 3.76 2gx2B1 VAL 76 HB -0.05 -0.11 -0.02 -0.04 2.12 1.90 2gx2B1 VAL 76 HG13 -0.06 -0.02 -0.47 -0.04 0.97 0.37 2gx2B1 VAL 76 HG23 -0.02 0.03 -0.10 -0.04 0.95 0.81 2gx2B1 ASP 77 H -0.15 0.18 0.09 -0.55 8.40 7.98 2gx2B1 ASP 77 HA -0.84 0.15 0.75 -0.75 4.63 3.93 2gx2B1 ASP 77 HB2 -0.29 0.18 0.07 -0.04 2.71 2.63 2gx2B1 ASP 77 HB3 -0.19 -0.03 0.20 -0.04 2.70 2.64 2gx2B1 TYR 78 H -0.31 0.29 -0.00 -0.55 8.29 7.71 2gx2B1 TYR 78 HA -0.35 0.16 0.28 -0.75 4.56 3.91 2gx2B1 TYR 78 HB2 -0.44 0.07 0.05 -0.04 3.06 2.70 2gx2B1 TYR 78 HB3 -1.24 -0.05 0.03 -0.04 2.98 1.68 2gx2B1 TYR 78 HD2 -0.83 0.05 -0.16 -0.04 7.15 6.17 2gx2B1 TYR 78 HE2 -0.15 0.02 -0.18 -0.04 6.85 6.50 2gx2B1 PHE 79 H -0.51 0.10 -0.24 -0.55 8.34 7.13 2gx2B1 PHE 79 HA -0.42 0.10 0.29 -0.75 4.62 3.84 2gx2B1 PHE 79 HB2 -0.20 0.11 -0.14 -0.04 3.15 2.88 2gx2B1 PHE 79 HB3 -0.21 -0.03 -0.26 -0.04 3.06 2.53 2gx2B1 PHE 79 HD2 -0.78 0.04 -0.15 -0.04 7.28 6.35 2gx2B1 PHE 79 HE2 -0.41 0.03 -0.13 -0.04 7.38 6.83 2gx2B1 PHE 79 HZ -1.25 0.03 -0.16 -0.04 7.32 5.91 2gx2B1 LYS 80 H -0.06 0.11 -0.13 -0.55 8.42 7.78 2gx2B1 LYS 80 HA 0.16 0.08 0.41 -0.75 4.32 4.22 2gx2B1 LYS 80 HB2 -0.05 0.00 0.09 -0.04 1.87 1.87 2gx2B1 LYS 80 HB3 0.01 0.02 0.05 -0.04 1.79 1.82 2gx2B1 LYS 80 HG2 -0.14 0.00 0.01 -0.04 1.46 1.30 2gx2B1 LYS 80 HG3 -0.08 -0.02 0.06 -0.04 1.46 1.38 2gx2B1 LYS 80 HD2 -0.04 -0.01 0.03 -0.04 1.69 1.63 2gx2B1 LYS 80 HD3 -0.29 -0.04 -0.01 -0.04 1.68 1.30 2gx2B1 LYS 80 HE2 -0.70 -0.11 -0.20 -0.04 2.99 1.94 2gx2B1 LYS 80 HE3 -0.48 -0.03 -0.07 -0.04 2.99 2.37 2gx2B1 GLN 81 H -0.13 0.27 -0.40 -0.55 8.47 7.67 2gx2B1 GLN 81 HA -0.03 0.06 0.39 -0.75 4.36 4.02 2gx2B1 GLN 81 HB2 -0.23 0.15 0.06 -0.04 2.15 2.10 2gx2B1 GLN 81 HB3 -0.15 -0.04 -0.03 -0.04 2.02 1.76 2gx2B1 GLN 81 HG2 -0.06 -0.02 0.04 -0.04 2.40 2.32 2gx2B1 GLN 81 HG3 -0.10 0.06 0.04 -0.04 2.39 2.35 2gx2B1 GLN 81 HE21 -0.08 0.01 -0.12 -0.04 6.97 6.74 2gx2B1 GLN 81 HE22 -0.12 0.02 -0.29 -0.04 7.69 7.26 2gx2B1 SER 82 H -0.21 0.24 -0.34 -0.55 8.46 7.61 2gx2B1 SER 82 HA -0.24 0.05 0.40 -0.75 4.49 3.94 2gx2B1 SER 82 HB2 -0.30 0.05 0.05 -0.04 3.95 3.70 2gx2B1 SER 82 HB3 -0.49 0.05 0.08 -0.04 3.93 3.52 2gx2B1 PHE 83 H 0.16 0.27 -0.44 -0.55 8.34 7.78 2gx2B1 PHE 83 HA 0.06 -0.13 0.50 -0.75 4.62 4.29 2gx2B1 PHE 83 HB2 0.06 0.11 -0.04 -0.04 3.15 3.25 2gx2B1 PHE 83 HB3 0.07 0.06 -0.03 -0.04 3.06 3.11 2gx2B1 PHE 83 HD2 0.12 0.14 -0.13 -0.04 7.28 7.37 2gx2B1 PHE 83 HE2 0.29 -0.02 -0.29 -0.04 7.38 7.32 2gx2B1 PHE 83 HZ 0.26 -0.04 -0.16 -0.04 7.32 7.33 2gx2B1 PRO 84 HA 0.34 0.05 0.29 -0.51 4.44 4.62 2gx2B1 PRO 84 HB2 0.08 0.00 0.03 -0.04 2.28 2.35 2gx2B1 PRO 84 HB3 0.09 0.12 0.11 -0.04 2.02 2.29 2gx2B1 PRO 84 HG2 0.05 -0.02 0.04 -0.04 2.03 2.06 2gx2B1 PRO 84 HG3 0.04 0.00 0.09 -0.04 2.03 2.12 2gx2B1 PRO 84 HD2 0.05 0.12 0.30 -0.04 3.68 4.10 2gx2B1 PRO 84 HD3 0.07 0.15 0.25 -0.04 3.65 4.08 2gx2B1 GLU 85 H 0.01 0.22 0.01 -0.55 8.60 8.29 2gx2B1 GLU 85 HA 0.01 -0.01 0.46 -0.75 4.29 4.00 2gx2B1 GLU 85 HB2 -0.08 0.21 0.16 -0.04 2.09 2.35 2gx2B1 GLU 85 HB3 -0.05 -0.02 0.00 -0.04 1.99 1.88 2gx2B1 GLU 85 HG2 -0.03 0.01 -0.02 -0.04 2.34 2.27 2gx2B1 GLU 85 HG3 -0.01 -0.05 0.05 -0.04 2.34 2.29 2gx2B1 GLY 86 H -0.34 0.53 -0.08 -0.55 8.43 7.99 2gx2B1 GLY 86 HA2 -1.50 -0.08 0.06 -0.51 4.01 1.98 2gx2B1 GLY 86 HA3 -0.23 0.35 0.81 -0.51 4.01 4.43 2gx2B1 TYR 87 H -0.17 0.42 0.31 -0.55 8.29 8.29 2gx2B1 TYR 87 HA -0.07 0.13 0.75 -0.75 4.56 4.63 2gx2B1 TYR 87 HB2 0.08 0.06 -0.15 -0.04 3.06 3.01 2gx2B1 TYR 87 HB3 -0.16 -0.01 -0.27 -0.04 2.98 2.50 2gx2B1 TYR 87 HD2 0.12 0.06 -0.19 -0.04 7.15 7.09 2gx2B1 TYR 87 HE2 0.58 -0.00 -0.18 -0.04 6.85 7.20 2gx2B1 SER 88 H 0.24 0.57 0.39 -0.55 8.46 9.12 2gx2B1 SER 88 HA -0.21 0.22 1.09 -0.75 4.49 4.84 2gx2B1 SER 88 HB2 -0.11 0.04 0.22 -0.04 3.95 4.06 2gx2B1 SER 88 HB3 -0.06 -0.02 0.05 -0.04 3.93 3.86 2gx2B1 TRP 89 H -0.31 0.58 0.46 -0.55 7.97 8.16 2gx2B1 TRP 89 HA 0.03 0.28 0.88 -0.75 4.62 5.06 2gx2B1 TRP 89 HB2 -0.17 0.04 0.12 -0.04 3.23 3.18 2gx2B1 TRP 89 HB3 0.38 -0.05 -0.00 -0.04 3.23 3.52 2gx2B1 TRP 89 HD1 0.18 -0.06 -0.16 -0.04 7.22 7.13 2gx2B1 TRP 89 HE1 -0.09 0.11 -0.16 -0.04 10.20 10.01 2gx2B1 TRP 89 HE3 -0.13 0.02 -0.67 -0.04 7.59 6.77 2gx2B1 TRP 89 HZ2 -0.07 0.29 -0.09 -0.04 7.44 7.53 2gx2B1 TRP 89 HZ3 -0.14 -0.04 -0.31 -0.04 7.13 6.61 2gx2B1 TRP 89 HH2 -0.08 -0.06 -0.17 -0.04 7.19 6.84 2gx2B1 GLU 90 H 0.19 0.56 0.45 -0.55 8.60 9.25 2gx2B1 GLU 90 HA 0.08 0.25 1.04 -0.75 4.29 4.90 2gx2B1 GLU 90 HB2 0.02 -0.05 0.15 -0.04 2.09 2.16 2gx2B1 GLU 90 HB3 0.00 0.01 0.11 -0.04 1.99 2.07 2gx2B1 GLU 90 HG2 -0.03 0.02 0.01 -0.04 2.34 2.29 2gx2B1 GLU 90 HG3 0.01 -0.06 -0.34 -0.04 2.34 1.92 2gx2B1 ARG 91 H 0.11 0.61 0.42 -0.55 8.46 9.05 2gx2B1 ARG 91 HA -0.06 0.34 1.07 -0.75 4.34 4.93 2gx2B1 ARG 91 HB2 -0.14 0.01 -0.24 -0.04 1.90 1.49 2gx2B1 ARG 91 HB3 0.17 -0.03 -0.06 -0.04 1.80 1.84 2gx2B1 ARG 91 HG2 -0.32 0.01 -0.39 -0.04 1.67 0.93 2gx2B1 ARG 91 HG3 -0.27 -0.02 -0.22 -0.04 1.67 1.12 2gx2B1 ARG 91 HD2 -0.52 -0.02 -0.25 -0.04 3.22 2.39 2gx2B1 ARG 91 HD3 -0.94 -0.07 -0.20 -0.04 3.22 1.97 2gx2B1 SER 92 H -0.11 0.58 0.40 -0.55 8.46 8.79 2gx2B1 SER 92 HA -0.11 0.24 1.07 -0.75 4.49 4.94 2gx2B1 SER 92 HB2 -0.06 -0.01 0.06 -0.04 3.95 3.90 2gx2B1 SER 92 HB3 -0.07 -0.02 0.17 -0.04 3.93 3.97 2gx2B1 MET 93 H -0.13 0.72 0.31 -0.55 8.47 8.82 2gx2B1 MET 93 HA -0.18 0.26 0.93 -0.75 4.52 4.78 2gx2B1 MET 93 HB2 -0.09 -0.03 0.18 -0.04 2.15 2.17 2gx2B1 MET 93 HB3 -0.27 -0.05 -0.05 -0.04 2.03 1.62 2gx2B1 MET 93 HG2 -1.75 -0.01 -0.16 -0.04 2.63 0.67 2gx2B1 MET 93 HG3 -0.54 -0.05 -0.53 -0.04 2.56 1.40 2gx2B1 MET 93 HE3 -0.08 0.02 -0.27 -0.04 2.10 1.72 2gx2B1 ASN 94 H -0.07 0.68 0.23 -0.55 8.53 8.83 2gx2B1 ASN 94 HA -0.02 0.16 0.86 -0.75 4.76 5.01 2gx2B1 ASN 94 HB2 -0.04 0.00 0.06 -0.04 2.88 2.87 2gx2B1 ASN 94 HB3 -0.03 -0.06 0.25 -0.04 2.79 2.91 2gx2B1 ASN 94 HD21 -0.01 0.01 -0.04 -0.04 7.03 6.95 2gx2B1 ASN 94 HD22 -0.02 -0.02 -0.02 -0.04 7.74 7.65 2gx2B1 TYR 95 H 0.18 0.70 0.33 -0.55 8.29 8.95 2gx2B1 TYR 95 HA -0.06 0.17 0.78 -0.75 4.56 4.70 2gx2B1 TYR 95 HB2 0.04 0.10 0.20 -0.04 3.06 3.36 2gx2B1 TYR 95 HB3 -0.05 -0.13 0.10 -0.04 2.98 2.86 2gx2B1 TYR 95 HD2 -0.23 0.13 -0.15 -0.04 7.15 6.85 2gx2B1 TYR 95 HE2 0.34 0.01 -0.16 -0.04 6.85 7.00 2gx2B1 GLU 96 H -0.04 0.60 0.34 -0.55 8.60 8.95 2gx2B1 GLU 96 HA 0.05 0.12 0.38 -0.75 4.29 4.08 2gx2B1 GLU 96 HB2 0.07 0.02 0.16 -0.04 2.09 2.30 2gx2B1 GLU 96 HB3 0.03 0.02 0.17 -0.04 1.99 2.17 2gx2B1 GLU 96 HG2 0.05 0.03 0.22 -0.04 2.34 2.60 2gx2B1 GLU 96 HG3 0.23 0.02 -0.06 -0.04 2.34 2.49 2gx2B1 ASP 97 H 0.27 0.01 -0.24 -0.55 8.40 7.89 2gx2B1 ASP 97 HA 0.11 0.25 0.87 -0.75 4.63 5.11 2gx2B1 ASP 97 HB2 0.11 0.04 0.22 -0.04 2.71 3.05 2gx2B1 ASP 97 HB3 0.21 0.01 0.09 -0.04 2.70 2.97 2gx2B1 GLY 98 H 0.07 0.51 -0.28 -0.55 8.43 8.18 2gx2B1 GLY 98 HA2 -0.00 0.02 0.29 -0.51 4.01 3.81 2gx2B1 GLY 98 HA3 -0.01 0.15 0.68 -0.51 4.01 4.32 2gx2B1 GLY 99 H -0.04 -0.12 -0.24 -0.55 8.43 7.49 2gx2B1 GLY 99 HA2 -0.62 0.27 0.47 -0.51 4.01 3.61 2gx2B1 GLY 99 HA3 -1.20 -0.14 0.22 -0.51 4.01 2.39 2gx2B1 ILE 100 H -0.37 0.54 0.37 -0.55 8.25 8.24 2gx2B1 ILE 100 HA 0.02 0.28 1.14 -0.75 4.18 4.87 2gx2B1 ILE 100 HB -0.09 -0.07 0.10 -0.04 1.89 1.79 2gx2B1 ILE 100 HG12 -0.10 0.24 -0.29 -0.04 1.49 1.30 2gx2B1 ILE 100 HG13 -0.06 -0.04 -0.05 -0.04 1.21 1.02 2gx2B1 ILE 100 HG23 -0.06 -0.01 -0.14 -0.04 0.93 0.68 2gx2B1 ILE 100 HD13 -0.03 0.01 -0.07 -0.04 0.88 0.75 2gx2B1 CYS 101 H 0.04 0.61 0.35 -0.55 8.50 8.95 2gx2B1 CYS 101 HA -0.15 0.30 1.21 -0.75 4.58 5.19 2gx2B1 CYS 101 HB2 0.08 -0.02 0.09 -0.04 2.97 3.08 2gx2B1 CYS 101 HB3 -0.59 0.06 -0.12 -0.04 2.97 2.28 2gx2B1 ASN 102 H -0.28 0.72 0.41 -0.55 8.53 8.83 2gx2B1 ASN 102 HA -0.14 0.31 1.16 -0.75 4.76 5.34 2gx2B1 ASN 102 HB2 -0.14 -0.01 0.21 -0.04 2.88 2.89 2gx2B1 ASN 102 HB3 -0.11 0.03 0.08 -0.04 2.79 2.74 2gx2B1 ASN 102 HD21 -0.06 -0.02 -0.03 -0.04 7.03 6.87 2gx2B1 ASN 102 HD22 -0.08 -0.01 -0.00 -0.04 7.74 7.61 2gx2B1 ALA 103 H -0.06 0.64 0.43 -0.55 8.40 8.86 2gx2B1 ALA 103 HA -0.13 0.28 0.95 -0.75 4.34 4.69 2gx2B1 ALA 103 HB3 0.08 -0.01 -0.02 -0.04 1.41 1.42 2gx2B1 THR 104 H -0.23 0.55 0.46 -0.55 8.28 8.51 2gx2B1 THR 104 HA -0.46 0.28 1.00 -0.75 4.39 4.46 2gx2B1 THR 104 HB -0.25 0.06 0.15 -0.04 4.32 4.24 2gx2B1 THR 104 HG23 -0.11 -0.03 -0.08 -0.04 1.22 0.95 2gx2B1 ASN 105 H -0.97 0.54 0.35 -0.55 8.53 7.90 2gx2B1 ASN 105 HA -0.49 0.28 0.84 -0.75 4.76 4.64 2gx2B1 ASN 105 HB2 -1.30 0.06 -0.18 -0.04 2.88 1.42 2gx2B1 ASN 105 HB3 -1.97 -0.08 0.06 -0.04 2.79 0.76 2gx2B1 ASN 105 HD21 -0.98 -0.03 -0.19 -0.04 7.03 5.78 2gx2B1 ASN 105 HD22 -0.16 0.11 -0.22 -0.04 7.74 7.44 2gx2B1 ASP 106 H -0.22 0.56 0.32 -0.55 8.40 8.51 2gx2B1 ASP 106 HA -0.20 0.11 1.03 -0.75 4.63 4.82 2gx2B1 ASP 106 HB2 -0.12 -0.03 0.12 -0.04 2.71 2.64 2gx2B1 ASP 106 HB3 -0.08 -0.04 0.27 -0.04 2.70 2.82 2gx2B1 ILE 107 H -0.22 0.64 0.39 -0.55 8.25 8.51 2gx2B1 ILE 107 HA 0.13 0.32 1.13 -0.75 4.18 5.01 2gx2B1 ILE 107 HB -0.30 -0.03 0.17 -0.04 1.89 1.69 2gx2B1 ILE 107 HG12 -0.29 0.03 -0.18 -0.04 1.49 1.00 2gx2B1 ILE 107 HG13 -0.38 -0.07 -0.29 -0.04 1.21 0.43 2gx2B1 ILE 107 HG23 0.46 -0.01 -0.13 -0.04 0.93 1.21 2gx2B1 ILE 107 HD13 -0.35 -0.01 -0.14 -0.04 0.88 0.35 2gx2B1 THR 108 H 0.23 0.55 0.43 -0.55 8.28 8.94 2gx2B1 THR 108 HA 0.19 0.32 0.92 -0.75 4.39 5.06 2gx2B1 THR 108 HB 0.10 -0.00 0.15 -0.04 4.32 4.53 2gx2B1 THR 108 HG23 0.05 0.02 -0.11 -0.04 1.22 1.13 2gx2B1 LEU 109 H 0.18 0.33 0.20 -0.55 8.37 8.53 2gx2B1 LEU 109 HA 0.05 0.19 0.95 -0.75 4.35 4.79 2gx2B1 LEU 109 HB2 0.25 -0.04 -0.17 -0.04 1.64 1.64 2gx2B1 LEU 109 HB3 0.20 0.13 0.12 -0.04 1.64 2.04 2gx2B1 LEU 109 HG -0.08 -0.04 -0.32 -0.04 1.64 1.15 2gx2B1 LEU 109 HD13 -0.61 0.02 -0.35 -0.04 0.93 -0.06 2gx2B1 LEU 109 HD23 -0.07 0.01 -0.05 -0.04 0.89 0.74 2gx2B1 ASP 110 H -0.04 0.74 0.10 -0.55 8.40 8.64 2gx2B1 ASP 110 HA 0.00 0.13 0.85 -0.75 4.63 4.85 2gx2B1 ASP 110 HB2 0.02 0.01 -0.07 -0.04 2.71 2.62 2gx2B1 ASP 110 HB3 -0.01 0.01 0.18 -0.04 2.70 2.84 2gx2B1 GLY 111 H -0.02 0.22 0.04 -0.55 8.43 8.13 2gx2B1 GLY 111 HA2 -0.03 0.06 0.37 -0.51 4.01 3.90 2gx2B1 GLY 111 HA3 -0.03 0.01 0.55 -0.51 4.01 4.02 2gx2B1 ASP 112 H -0.06 0.15 0.27 -0.55 8.40 8.21 2gx2B1 ASP 112 HA -0.16 0.28 0.87 -0.75 4.63 4.86 2gx2B1 ASP 112 HB2 -0.06 0.06 0.31 -0.04 2.71 2.98 2gx2B1 ASP 112 HB3 -0.05 0.00 0.06 -0.04 2.70 2.67 2gx2B1 CYS 113 H -0.12 0.44 -0.17 -0.55 8.50 8.10 2gx2B1 CYS 113 HA -0.10 0.23 1.03 -0.75 4.58 4.98 2gx2B1 CYS 113 HB2 -0.04 -0.09 -0.04 -0.04 2.97 2.76 2gx2B1 CYS 113 HB3 -0.04 0.09 0.14 -0.04 2.97 3.11 2gx2B1 TYR 114 H 0.03 0.63 0.26 -0.55 8.29 8.66 2gx2B1 TYR 114 HA 0.06 0.22 0.78 -0.75 4.56 4.86 2gx2B1 TYR 114 HB2 0.08 -0.04 0.17 -0.04 3.06 3.24 2gx2B1 TYR 114 HB3 0.32 0.02 0.01 -0.04 2.98 3.29 2gx2B1 TYR 114 HD2 0.06 0.12 -0.06 -0.04 7.15 7.22 2gx2B1 TYR 114 HE2 -1.16 -0.01 -0.13 -0.04 6.85 5.50 2gx2B1 ILE 115 H 0.23 0.67 0.32 -0.55 8.25 8.92 2gx2B1 ILE 115 HA 0.01 0.29 1.05 -0.75 4.18 4.78 2gx2B1 ILE 115 HB 0.10 -0.08 0.09 -0.04 1.89 1.97 2gx2B1 ILE 115 HG12 0.05 0.05 -0.19 -0.04 1.49 1.36 2gx2B1 ILE 115 HG13 0.04 -0.04 -0.10 -0.04 1.21 1.07 2gx2B1 ILE 115 HG23 0.05 -0.00 -0.10 -0.04 0.93 0.84 2gx2B1 ILE 115 HD13 0.00 0.03 -0.19 -0.04 0.88 0.68 2gx2B1 TYR 116 H 0.05 0.62 0.45 -0.55 8.29 8.86 2gx2B1 TYR 116 HA 0.02 0.30 1.09 -0.75 4.56 5.21 2gx2B1 TYR 116 HB2 0.10 -0.15 0.13 -0.04 3.06 3.10 2gx2B1 TYR 116 HB3 0.04 0.01 -0.10 -0.04 2.98 2.88 2gx2B1 TYR 116 HD2 0.16 -0.00 -0.35 -0.04 7.15 6.92 2gx2B1 TYR 116 HE2 0.18 0.09 -0.11 -0.04 6.85 6.97 2gx2B1 GLU 117 H 0.03 0.45 0.27 -0.55 8.60 8.79 2gx2B1 GLU 117 HA 0.04 0.16 0.95 -0.75 4.29 4.69 2gx2B1 GLU 117 HB2 0.01 0.02 0.06 -0.04 2.09 2.14 2gx2B1 GLU 117 HB3 -0.04 -0.07 0.30 -0.04 1.99 2.14 2gx2B1 GLU 117 HG2 -0.03 0.01 -0.09 -0.04 2.34 2.18 2gx2B1 GLU 117 HG3 0.00 0.02 0.07 -0.04 2.34 2.39 2gx2B1 ILE 118 H 0.03 0.63 0.33 -0.55 8.25 8.69 2gx2B1 ILE 118 HA -0.18 0.35 1.22 -0.75 4.18 4.82 2gx2B1 ILE 118 HB 0.05 -0.03 0.08 -0.04 1.89 1.94 2gx2B1 ILE 118 HG12 -0.18 0.10 -0.06 -0.04 1.49 1.31 2gx2B1 ILE 118 HG13 0.04 -0.18 -0.35 -0.04 1.21 0.68 2gx2B1 ILE 118 HG23 -0.08 0.00 -0.20 -0.04 0.93 0.61 2gx2B1 ILE 118 HD13 0.21 -0.00 -0.26 -0.04 0.88 0.80 2gx2B1 ARG 119 H -0.15 0.52 0.43 -0.55 8.46 8.71 2gx2B1 ARG 119 HA -0.05 0.34 1.05 -0.75 4.34 4.93 2gx2B1 ARG 119 HB2 -0.08 0.01 -0.00 -0.04 1.90 1.79 2gx2B1 ARG 119 HB3 -0.11 -0.07 0.14 -0.04 1.80 1.72 2gx2B1 ARG 119 HG2 -0.07 -0.04 -0.04 -0.04 1.67 1.47 2gx2B1 ARG 119 HG3 -0.07 -0.01 -0.16 -0.04 1.67 1.39 2gx2B1 ARG 119 HD2 -0.06 0.23 0.20 -0.04 3.22 3.54 2gx2B1 ARG 119 HD3 -0.06 -0.05 0.00 -0.04 3.22 3.07 2gx2B1 PHE 120 H 0.03 0.52 0.42 -0.55 8.34 8.75 2gx2B1 PHE 120 HA -0.05 0.26 1.04 -0.75 4.62 5.12 2gx2B1 PHE 120 HB2 -0.06 0.03 -0.19 -0.04 3.15 2.88 2gx2B1 PHE 120 HB3 -0.02 -0.07 0.00 -0.04 3.06 2.94 2gx2B1 PHE 120 HD2 0.06 -0.03 -0.24 -0.04 7.28 7.03 2gx2B1 PHE 120 HE2 -0.02 0.03 -0.15 -0.04 7.38 7.20 2gx2B1 PHE 120 HZ 0.07 -0.04 -0.22 -0.04 7.32 7.09 2gx2B1 ASP 121 H -0.49 0.74 0.33 -0.55 8.40 8.43 2gx2B1 ASP 121 HA -0.00 0.25 1.11 -0.75 4.63 5.23 2gx2B1 ASP 121 HB2 -0.13 -0.01 0.16 -0.04 2.71 2.69 2gx2B1 ASP 121 HB3 -0.07 -0.02 0.03 -0.04 2.70 2.61 2gx2B1 GLY 122 H 0.07 0.68 0.45 -0.55 8.43 9.09 2gx2B1 GLY 122 HA2 -0.02 0.38 1.28 -0.51 4.01 5.14 2gx2B1 GLY 122 HA3 0.23 -0.05 0.39 -0.51 4.01 4.06 2gx2B1 VAL 123 H -0.07 0.74 0.45 -0.55 8.24 8.81 2gx2B1 VAL 123 HA 0.04 -0.00 0.96 -0.75 4.13 4.38 2gx2B1 VAL 123 HB -0.03 -0.04 0.13 -0.04 2.12 2.14 2gx2B1 VAL 123 HG13 -0.02 -0.00 -0.21 -0.04 0.97 0.70 2gx2B1 VAL 123 HG23 -0.07 0.05 -0.03 -0.04 0.95 0.86 2gx2B1 ASN 124 H -0.01 0.15 0.17 -0.55 8.53 8.29 2gx2B1 ASN 124 HA -0.02 0.05 0.30 -0.75 4.76 4.33 2gx2B1 ASN 124 HB2 -0.14 0.19 -0.07 -0.04 2.88 2.82 2gx2B1 ASN 124 HB3 -0.08 0.04 0.16 -0.04 2.79 2.88 2gx2B1 ASN 124 HD21 -0.03 -0.01 -0.01 -0.04 7.03 6.93 2gx2B1 ASN 124 HD22 -0.06 0.11 -0.01 -0.04 7.74 7.74 2gx2B1 PHE 125 H 0.11 0.02 -0.26 -0.55 8.34 7.66 2gx2B1 PHE 125 HA 0.02 0.11 0.64 -0.75 4.62 4.64 2gx2B1 PHE 125 HB2 -0.01 -0.01 0.00 -0.04 3.15 3.10 2gx2B1 PHE 125 HB3 -0.02 -0.00 -0.07 -0.04 3.06 2.93 2gx2B1 PHE 125 HD2 -0.04 -0.04 -0.10 -0.04 7.28 7.07 2gx2B1 PHE 125 HE2 -0.32 -0.01 -0.10 -0.04 7.38 6.90 2gx2B1 PHE 125 HZ -0.17 0.06 -0.19 -0.04 7.32 6.98 2gx2B1 PRO 126 HA 0.05 0.08 0.45 -0.51 4.44 4.52 2gx2B1 PRO 126 HB2 0.04 -0.12 0.03 -0.04 2.28 2.19 2gx2B1 PRO 126 HB3 0.03 0.06 0.08 -0.04 2.02 2.16 2gx2B1 PRO 126 HG2 0.06 0.05 0.12 -0.04 2.03 2.22 2gx2B1 PRO 126 HG3 0.04 0.17 0.09 -0.04 2.03 2.28 2gx2B1 PRO 126 HD2 0.15 -0.08 0.21 -0.04 3.68 3.92 2gx2B1 PRO 126 HD3 0.05 0.35 0.31 -0.04 3.65 4.33 2gx2B1 ALA 127 H 0.04 0.16 0.17 -0.55 8.40 8.23 2gx2B1 ALA 127 HA 0.04 0.13 0.36 -0.75 4.34 4.11 2gx2B1 ALA 127 HB3 0.03 0.02 0.10 -0.04 1.41 1.52 2gx2B1 ASN 128 H 0.01 0.00 -0.27 -0.55 8.53 7.73 2gx2B1 ASN 128 HA -0.01 0.26 0.70 -0.75 4.76 4.95 2gx2B1 ASN 128 HB2 -0.01 0.04 0.12 -0.04 2.88 2.98 2gx2B1 ASN 128 HB3 -0.00 0.00 0.01 -0.04 2.79 2.76 2gx2B1 ASN 128 HD21 0.01 0.00 -0.03 -0.04 7.03 6.97 2gx2B1 ASN 128 HD22 0.00 0.03 -0.01 -0.04 7.74 7.72 2gx2B1 GLY 129 H 0.00 0.39 -0.49 -0.55 8.43 7.78 2gx2B1 GLY 129 HA2 -0.07 0.16 0.50 -0.51 4.01 4.09 2gx2B1 GLY 129 HA3 -0.04 -0.03 0.28 -0.51 4.01 3.72 2gx2B1 PRO 130 HA -0.17 0.16 0.29 -0.51 4.44 4.21 2gx2B1 PRO 130 HB2 -0.35 -0.01 -0.15 -0.04 2.28 1.74 2gx2B1 PRO 130 HB3 -0.28 0.12 0.00 -0.04 2.02 1.83 2gx2B1 PRO 130 HG2 -1.21 -0.05 0.03 -0.04 2.03 0.76 2gx2B1 PRO 130 HG3 -1.12 0.09 0.02 -0.04 2.03 0.98 2gx2B1 PRO 130 HD2 -0.34 0.06 0.21 -0.04 3.68 3.57 2gx2B1 PRO 130 HD3 -0.27 0.23 0.16 -0.04 3.65 3.72 2gx2B1 VAL 131 H -0.23 0.12 -0.26 -0.55 8.24 7.31 2gx2B1 VAL 131 HA -0.21 0.04 0.50 -0.75 4.13 3.71 2gx2B1 VAL 131 HB -0.29 0.01 0.05 -0.04 2.12 1.85 2gx2B1 VAL 131 HG13 -0.79 0.03 -0.14 -0.04 0.97 0.03 2gx2B1 VAL 131 HG23 -0.28 0.00 -0.05 -0.04 0.95 0.58 2gx2B1 MET 132 H -0.08 0.13 -0.14 -0.55 8.47 7.83 2gx2B1 MET 132 HA -0.03 0.14 0.49 -0.75 4.52 4.37 2gx2B1 MET 132 HB2 0.00 0.15 0.02 -0.04 2.15 2.28 2gx2B1 MET 132 HB3 0.01 0.07 0.09 -0.04 2.03 2.16 2gx2B1 MET 132 HG2 0.07 -0.12 -0.19 -0.04 2.63 2.35 2gx2B1 MET 132 HG3 0.08 0.05 -0.20 -0.04 2.56 2.44 2gx2B1 MET 132 HE3 0.10 0.05 -0.09 -0.04 2.10 2.12 2gx2B1 GLN 133 H -0.08 0.19 -0.47 -0.55 8.47 7.55 2gx2B1 GLN 133 HA -0.05 0.22 0.76 -0.75 4.36 4.54 2gx2B1 GLN 133 HB2 -0.07 -0.02 -0.13 -0.04 2.15 1.89 2gx2B1 GLN 133 HB3 -0.05 -0.04 0.04 -0.04 2.02 1.92 2gx2B1 GLN 133 HG2 -0.03 0.03 -0.04 -0.04 2.40 2.31 2gx2B1 GLN 133 HG3 -0.04 0.08 -0.15 -0.04 2.39 2.24 2gx2B1 GLN 133 HE21 -0.02 -0.05 0.01 -0.04 6.97 6.86 2gx2B1 GLN 133 HE22 -0.02 0.02 -0.00 -0.04 7.69 7.65 2gx2B1 LYS 134 H -0.10 0.22 -0.54 -0.55 8.42 7.45 2gx2B1 LYS 134 HA -0.14 -0.12 0.34 -0.75 4.32 3.65 2gx2B1 LYS 134 HB2 -0.08 0.15 -0.11 -0.04 1.87 1.79 2gx2B1 LYS 134 HB3 -0.12 -0.07 0.11 -0.04 1.79 1.67 2gx2B1 LYS 134 HG2 -0.18 -0.13 -0.47 -0.04 1.46 0.63 2gx2B1 LYS 134 HG3 -0.11 0.15 -0.42 -0.04 1.46 1.04 2gx2B1 LYS 134 HD2 -0.07 -0.01 -0.13 -0.04 1.69 1.44 2gx2B1 LYS 134 HD3 -0.15 -0.07 -0.12 -0.04 1.68 1.30 2gx2B1 LYS 134 HE2 -0.21 0.09 -0.25 -0.04 2.99 2.57 2gx2B1 LYS 134 HE3 -0.11 0.07 -0.24 -0.04 2.99 2.67 2gx2B1 ARG 135 H -0.13 0.56 0.03 -0.55 8.46 8.37 2gx2B1 ARG 135 HA -0.07 0.29 0.87 -0.75 4.34 4.68 2gx2B1 ARG 135 HB2 -0.12 -0.09 0.03 -0.04 1.90 1.68 2gx2B1 ARG 135 HB3 -0.08 -0.16 0.18 -0.04 1.80 1.69 2gx2B1 ARG 135 HG2 -0.06 0.07 -0.08 -0.04 1.67 1.56 2gx2B1 ARG 135 HG3 -0.07 0.12 -0.32 -0.04 1.67 1.36 2gx2B1 ARG 135 HD2 -0.06 -0.10 -0.03 -0.04 3.22 2.99 2gx2B1 ARG 135 HD3 -0.05 0.04 -0.06 -0.04 3.22 3.11 2gx2B1 THR 136 H -0.12 0.08 -0.19 -0.55 8.28 7.50 2gx2B1 THR 136 HA -0.11 0.20 0.81 -0.75 4.39 4.54 2gx2B1 THR 136 HB -0.19 0.01 -0.06 -0.04 4.32 4.03 2gx2B1 THR 136 HG23 -0.14 0.01 -0.19 -0.04 1.22 0.85 2gx2B1 VAL 137 H -0.09 0.64 0.25 -0.55 8.24 8.50 2gx2B1 VAL 137 HA -0.01 0.20 0.84 -0.75 4.13 4.40 2gx2B1 VAL 137 HB -0.03 -0.05 0.00 -0.04 2.12 2.00 2gx2B1 VAL 137 HG13 0.02 0.00 -0.13 -0.04 0.97 0.82 2gx2B1 VAL 137 HG23 -0.03 0.00 -0.35 -0.04 0.95 0.53 2gx2B1 LYS 138 H -0.05 0.22 0.28 -0.55 8.42 8.31 2gx2B1 LYS 138 HA 0.01 0.03 0.45 -0.75 4.32 4.06 2gx2B1 LYS 138 HB2 0.17 0.07 0.18 -0.04 1.87 2.24 2gx2B1 LYS 138 HB3 0.09 0.17 -0.12 -0.04 1.79 1.88 2gx2B1 LYS 138 HG2 0.07 -0.15 -0.14 -0.04 1.46 1.20 2gx2B1 LYS 138 HG3 0.15 0.08 -0.40 -0.04 1.46 1.26 2gx2B1 LYS 138 HD2 0.10 0.01 -0.08 -0.04 1.69 1.68 2gx2B1 LYS 138 HD3 0.12 -0.05 -0.08 -0.04 1.68 1.64 2gx2B1 LYS 138 HE2 0.21 0.00 0.05 -0.04 2.99 3.20 2gx2B1 LYS 138 HE3 0.21 -0.04 -0.02 -0.04 2.99 3.09 2gx2B1 TRP 139 H 0.33 0.17 0.17 -0.55 7.97 8.09 2gx2B1 TRP 139 HA 0.11 0.12 0.82 -0.75 4.62 4.93 2gx2B1 TRP 139 HB2 0.13 0.03 0.10 -0.04 3.23 3.45 2gx2B1 TRP 139 HB3 0.06 0.15 0.02 -0.04 3.23 3.42 2gx2B1 TRP 139 HD1 0.15 -0.02 -0.04 -0.04 7.22 7.27 2gx2B1 TRP 139 HE1 0.20 0.49 0.03 -0.04 10.20 10.88 2gx2B1 TRP 139 HE3 0.02 0.07 -0.19 -0.04 7.59 7.45 2gx2B1 TRP 139 HZ2 0.40 0.03 -0.20 -0.04 7.44 7.63 2gx2B1 TRP 139 HZ3 -0.00 -0.03 -0.33 -0.04 7.13 6.73 2gx2B1 TRP 139 HH2 0.33 -0.02 -0.21 -0.04 7.19 7.24 2gx2B1 GLU 140 H 0.33 0.47 0.37 -0.55 8.60 9.22 2gx2B1 GLU 140 HA 0.14 0.08 0.60 -0.75 4.29 4.35 2gx2B1 GLU 140 HB2 0.11 -0.05 0.17 -0.04 2.09 2.28 2gx2B1 GLU 140 HB3 0.04 0.08 0.15 -0.04 1.99 2.22 2gx2B1 GLU 140 HG2 0.25 -0.02 -0.01 -0.04 2.34 2.53 2gx2B1 GLU 140 HG3 0.05 -0.06 -0.02 -0.04 2.34 2.27 2gx2B1 PRO 141 HA -0.01 0.09 0.64 -0.51 4.44 4.65 2gx2B1 PRO 141 HB2 -0.13 -0.05 0.06 -0.04 2.28 2.12 2gx2B1 PRO 141 HB3 -0.20 0.12 0.22 -0.04 2.02 2.13 2gx2B1 PRO 141 HG2 -0.38 0.00 0.10 -0.04 2.03 1.71 2gx2B1 PRO 141 HG3 -1.42 0.04 0.14 -0.04 2.03 0.75 2gx2B1 PRO 141 HD2 -0.09 0.05 0.23 -0.04 3.68 3.83 2gx2B1 PRO 141 HD3 -0.11 0.12 0.25 -0.04 3.65 3.87 2gx2B1 SER 142 H 0.04 0.53 0.41 -0.55 8.46 8.88 2gx2B1 SER 142 HA -0.02 0.18 0.84 -0.75 4.49 4.72 2gx2B1 SER 142 HB2 -0.10 -0.01 0.05 -0.04 3.95 3.86 2gx2B1 SER 142 HB3 -0.09 0.09 -0.22 -0.04 3.93 3.67 2gx2B1 THR 143 H -0.01 0.23 0.16 -0.55 8.28 8.11 2gx2B1 THR 143 HA 0.07 0.24 1.07 -0.75 4.39 5.01 2gx2B1 THR 143 HB 0.02 -0.03 0.17 -0.04 4.32 4.43 2gx2B1 THR 143 HG23 0.08 0.00 -0.17 -0.04 1.22 1.09 2gx2B1 GLU 144 H 0.11 0.75 0.27 -0.55 8.60 9.19 2gx2B1 GLU 144 HA 0.02 0.15 0.74 -0.75 4.29 4.44 2gx2B1 GLU 144 HB2 0.13 -0.03 -0.03 -0.04 2.09 2.12 2gx2B1 GLU 144 HB3 0.12 0.02 0.12 -0.04 1.99 2.21 2gx2B1 GLU 144 HG2 -0.01 0.00 -0.38 -0.04 2.34 1.91 2gx2B1 GLU 144 HG3 0.02 -0.01 -0.27 -0.04 2.34 2.05 2gx2B1 LYS 145 H 0.01 0.78 0.44 -0.55 8.42 9.09 2gx2B1 LYS 145 HA -0.21 0.21 1.01 -0.75 4.32 4.57 2gx2B1 LYS 145 HB2 0.06 0.02 0.28 -0.04 1.87 2.18 2gx2B1 LYS 145 HB3 -0.05 -0.01 0.04 -0.04 1.79 1.73 2gx2B1 LYS 145 HG2 0.23 -0.05 0.02 -0.04 1.46 1.62 2gx2B1 LYS 145 HG3 0.31 0.04 0.01 -0.04 1.46 1.78 2gx2B1 LYS 145 HD2 0.17 -0.04 -0.48 -0.04 1.69 1.29 2gx2B1 LYS 145 HD3 0.10 -0.01 0.06 -0.04 1.68 1.79 2gx2B1 LYS 145 HE2 0.33 -0.01 -0.08 -0.04 2.99 3.19 2gx2B1 LYS 145 HE3 0.10 0.02 -0.01 -0.04 2.99 3.05 2gx2B1 LEU 146 H -0.68 0.76 0.39 -0.55 8.37 8.29 2gx2B1 LEU 146 HA -0.25 0.34 1.23 -0.75 4.35 4.92 2gx2B1 LEU 146 HB2 -1.07 -0.03 0.03 -0.04 1.64 0.53 2gx2B1 LEU 146 HB3 -0.37 0.01 0.00 -0.04 1.64 1.24 2gx2B1 LEU 146 HG -0.11 -0.02 -0.23 -0.04 1.64 1.24 2gx2B1 LEU 146 HD13 -0.27 0.01 -0.29 -0.04 0.93 0.34 2gx2B1 LEU 146 HD23 0.00 -0.01 -0.17 -0.04 0.89 0.68 2gx2B1 TYR 147 H -0.48 0.60 0.35 -0.55 8.29 8.21 2gx2B1 TYR 147 HA -0.14 0.08 0.62 -0.75 4.56 4.37 2gx2B1 TYR 147 HB2 0.09 0.03 0.07 -0.04 3.06 3.21 2gx2B1 TYR 147 HB3 -0.01 0.05 -0.10 -0.04 2.98 2.87 2gx2B1 TYR 147 HD2 -0.09 0.07 -0.31 -0.04 7.15 6.77 2gx2B1 TYR 147 HE2 -0.02 -0.01 -0.08 -0.04 6.85 6.71 2gx2B1 VAL 148 H 0.06 0.13 0.15 -0.55 8.24 8.03 2gx2B1 VAL 148 HA -0.15 0.22 0.76 -0.75 4.13 4.21 2gx2B1 VAL 148 HB 0.02 -0.04 0.12 -0.04 2.12 2.18 2gx2B1 VAL 148 HG13 -0.02 -0.00 -0.14 -0.04 0.97 0.76 2gx2B1 VAL 148 HG23 -0.07 0.02 -0.06 -0.04 0.95 0.80 2gx2B1 ARG 149 H -0.08 0.82 0.32 -0.55 8.46 8.96 2gx2B1 ARG 149 HA 0.03 0.03 0.52 -0.75 4.34 4.17 2gx2B1 ARG 149 HB2 0.09 0.10 -0.06 -0.04 1.90 1.99 2gx2B1 ARG 149 HB3 -0.04 0.02 0.01 -0.04 1.80 1.74 2gx2B1 ARG 149 HG2 0.01 0.01 -0.19 -0.04 1.67 1.46 2gx2B1 ARG 149 HG3 0.04 -0.07 0.08 -0.04 1.67 1.68 2gx2B1 ARG 149 HD2 0.06 0.01 -0.05 -0.04 3.22 3.20 2gx2B1 ARG 149 HD3 0.05 -0.02 -0.03 -0.04 3.22 3.18 2gx2B1 ASP 150 H 0.01 0.15 0.12 -0.55 8.40 8.14 2gx2B1 ASP 150 HA 0.00 0.03 0.36 -0.75 4.63 4.27 2gx2B1 ASP 150 HB2 -0.01 0.15 -0.06 -0.04 2.71 2.76 2gx2B1 ASP 150 HB3 0.00 0.03 0.19 -0.04 2.70 2.88 2gx2B1 GLY 151 H -0.00 0.02 -0.22 -0.55 8.43 7.68 2gx2B1 GLY 151 HA2 0.01 -0.03 0.30 -0.51 4.01 3.78 2gx2B1 GLY 151 HA3 0.01 0.09 0.36 -0.51 4.01 3.97 2gx2B1 VAL 152 H -0.03 0.46 -0.39 -0.55 8.24 7.74 2gx2B1 VAL 152 HA 0.00 0.17 0.91 -0.75 4.13 4.46 2gx2B1 VAL 152 HB 0.00 0.19 0.24 -0.04 2.12 2.51 2gx2B1 VAL 152 HG13 0.05 -0.00 -0.05 -0.04 0.97 0.93 2gx2B1 VAL 152 HG23 -0.03 -0.00 -0.07 -0.04 0.95 0.81 2gx2B1 LEU 153 H -0.28 0.45 0.30 -0.55 8.37 8.29 2gx2B1 LEU 153 HA -0.30 0.15 0.99 -0.75 4.35 4.43 2gx2B1 LEU 153 HB2 -1.09 -0.02 -0.01 -0.04 1.64 0.48 2gx2B1 LEU 153 HB3 -0.63 -0.03 0.11 -0.04 1.64 1.05 2gx2B1 LEU 153 HG -0.16 0.10 -0.24 -0.04 1.64 1.30 2gx2B1 LEU 153 HD13 -0.25 0.01 -0.21 -0.04 0.93 0.44 2gx2B1 LEU 153 HD23 -0.52 -0.02 -0.10 -0.04 0.89 0.21 2gx2B1 LYS 154 H -0.41 0.69 0.40 -0.55 8.42 8.55 2gx2B1 LYS 154 HA -0.23 0.25 1.09 -0.75 4.32 4.68 2gx2B1 LYS 154 HB2 -1.47 0.04 0.15 -0.04 1.87 0.55 2gx2B1 LYS 154 HB3 -0.51 -0.02 0.09 -0.04 1.79 1.32 2gx2B1 LYS 154 HG2 -0.29 -0.01 -0.10 -0.04 1.46 1.02 2gx2B1 LYS 154 HG3 -0.26 -0.05 -0.05 -0.04 1.46 1.06 2gx2B1 LYS 154 HD2 -0.14 0.01 -0.02 -0.04 1.69 1.51 2gx2B1 LYS 154 HD3 -0.16 0.04 -0.01 -0.04 1.68 1.51 2gx2B1 LYS 154 HE2 -0.08 0.05 -0.12 -0.04 2.99 2.80 2gx2B1 LYS 154 HE3 -0.05 -0.05 -0.08 -0.04 2.99 2.78 2gx2B1 GLY 155 H -0.18 0.66 0.33 -0.55 8.43 8.69 2gx2B1 GLY 155 HA2 -0.05 0.33 0.92 -0.51 4.01 4.69 2gx2B1 GLY 155 HA3 0.14 -0.04 0.24 -0.51 4.01 3.84 2gx2B1 ASP 156 H 0.05 0.69 0.37 -0.55 8.40 8.97 2gx2B1 ASP 156 HA 0.03 0.32 1.12 -0.75 4.63 5.34 2gx2B1 ASP 156 HB2 0.14 -0.01 0.17 -0.04 2.71 2.96 2gx2B1 ASP 156 HB3 0.06 0.01 0.10 -0.04 2.70 2.83 2gx2B1 VAL 157 H 0.00 0.50 0.33 -0.55 8.24 8.52 2gx2B1 VAL 157 HA -0.04 0.16 0.81 -0.75 4.13 4.30 2gx2B1 VAL 157 HB -0.07 0.02 -0.17 -0.04 2.12 1.85 2gx2B1 VAL 157 HG13 -0.31 -0.01 -0.14 -0.04 0.97 0.47 2gx2B1 VAL 157 HG23 -0.21 0.02 -0.30 -0.04 0.95 0.43 2gx2B1 ASN 158 H -0.07 0.23 0.19 -0.55 8.53 8.34 2gx2B1 ASN 158 HA -0.09 0.11 0.88 -0.75 4.76 4.91 2gx2B1 ASN 158 HB2 -0.04 -0.00 0.26 -0.04 2.88 3.05 2gx2B1 ASN 158 HB3 -0.04 0.03 0.07 -0.04 2.79 2.80 2gx2B1 ASN 158 HD21 -0.01 0.00 0.02 -0.04 7.03 7.01 2gx2B1 ASN 158 HD22 -0.01 0.01 0.06 -0.04 7.74 7.76 2gx2B1 MET 159 H -0.19 0.71 0.39 -0.55 8.47 8.84 2gx2B1 MET 159 HA -0.14 0.20 0.87 -0.75 4.52 4.70 2gx2B1 MET 159 HB2 -0.46 0.02 0.01 -0.04 2.15 1.68 2gx2B1 MET 159 HB3 -0.39 -0.03 -0.02 -0.04 2.03 1.55 2gx2B1 MET 159 HG2 -0.91 -0.05 -0.41 -0.04 2.63 1.22 2gx2B1 MET 159 HG3 -2.70 -0.02 -0.16 -0.04 2.56 -0.36 2gx2B1 MET 159 HE3 -1.13 -0.00 -0.11 -0.04 2.10 0.81 2gx2B1 ALA 160 H 0.30 0.27 0.18 -0.55 8.40 8.61 2gx2B1 ALA 160 HA 0.21 0.20 0.80 -0.75 4.34 4.79 2gx2B1 ALA 160 HB3 0.09 0.01 -0.09 -0.04 1.41 1.38 2gx2B1 LEU 161 H 0.12 0.68 0.30 -0.55 8.37 8.92 2gx2B1 LEU 161 HA -0.12 0.27 0.99 -0.75 4.35 4.74 2gx2B1 LEU 161 HB2 0.00 -0.00 0.15 -0.04 1.64 1.75 2gx2B1 LEU 161 HB3 -0.20 0.03 -0.06 -0.04 1.64 1.37 2gx2B1 LEU 161 HG -1.98 -0.01 -0.20 -0.04 1.64 -0.59 2gx2B1 LEU 161 HD13 -0.24 -0.01 -0.18 -0.04 0.93 0.46 2gx2B1 LEU 161 HD23 -1.22 0.01 -0.30 -0.04 0.89 -0.66 2gx2B1 SER 162 H 0.01 0.59 0.34 -0.55 8.46 8.86 2gx2B1 SER 162 HA -0.47 0.19 0.72 -0.75 4.49 4.18 2gx2B1 SER 162 HB2 -0.18 0.08 0.07 -0.04 3.95 3.89 2gx2B1 SER 162 HB3 -0.01 0.02 0.09 -0.04 3.93 3.98 2gx2B1 LEU 163 H -0.21 0.60 0.15 -0.55 8.37 8.36 2gx2B1 LEU 163 HA -0.09 0.19 0.96 -0.75 4.35 4.65 2gx2B1 LEU 163 HB2 -0.08 0.26 -0.13 -0.04 1.64 1.65 2gx2B1 LEU 163 HB3 -0.08 -0.05 -0.00 -0.04 1.64 1.47 2gx2B1 LEU 163 HG -0.03 -0.01 -0.31 -0.04 1.64 1.25 2gx2B1 LEU 163 HD13 -0.02 0.01 -0.18 -0.04 0.93 0.69 2gx2B1 LEU 163 HD23 -0.11 -0.02 -0.20 -0.04 0.89 0.53 2gx2B1 GLU 164 H -0.07 0.67 0.20 -0.55 8.60 8.85 2gx2B1 GLU 164 HA -0.04 0.04 0.26 -0.75 4.29 3.80 2gx2B1 GLU 164 HB2 -0.02 -0.00 0.04 -0.04 2.09 2.06 2gx2B1 GLU 164 HB3 -0.03 0.06 -0.01 -0.04 1.99 1.97 2gx2B1 GLU 164 HG2 -0.05 0.05 0.15 -0.04 2.34 2.45 2gx2B1 GLU 164 HG3 -0.04 -0.02 -0.07 -0.04 2.34 2.17 2gx2B1 GLY 165 H -0.05 0.08 -0.23 -0.55 8.43 7.69 2gx2B1 GLY 165 HA2 -0.02 0.13 0.62 -0.51 4.01 4.23 2gx2B1 GLY 165 HA3 -0.03 -0.02 0.31 -0.51 4.01 3.76 2gx2B1 GLY 166 H -0.05 0.48 -0.47 -0.55 8.43 7.84 2gx2B1 GLY 166 HA2 -0.05 0.01 0.35 -0.51 4.01 3.80 2gx2B1 GLY 166 HA3 -0.02 0.14 0.76 -0.51 4.01 4.37 2gx2B1 GLY 167 H -0.05 0.07 0.15 -0.55 8.43 8.06 2gx2B1 GLY 167 HA2 0.06 0.00 0.37 -0.51 4.01 3.94 2gx2B1 GLY 167 HA3 0.01 0.16 0.57 -0.51 4.01 4.24 2gx2B1 HIS 168 H 0.15 0.19 0.21 -0.55 8.41 8.42 2gx2B1 HIS 168 HA 0.07 0.30 1.03 -0.75 4.63 5.27 2gx2B1 HIS 168 HB2 0.06 -0.03 -0.02 -0.04 3.26 3.22 2gx2B1 HIS 168 HB3 0.07 -0.03 -0.10 -0.04 3.20 3.10 2gx2B1 HIS 168 HD2 0.06 -0.03 -0.46 -0.04 6.97 6.49 2gx2B1 HIS 168 HE1 0.03 0.00 -0.07 -0.04 7.75 7.67 2gx2B1 TYR 169 H 0.25 0.63 0.26 -0.55 8.29 8.87 2gx2B1 TYR 169 HA 0.10 0.10 0.84 -0.75 4.56 4.85 2gx2B1 TYR 169 HB2 0.02 0.05 -0.07 -0.04 3.06 3.02 2gx2B1 TYR 169 HB3 0.01 0.00 0.16 -0.04 2.98 3.11 2gx2B1 TYR 169 HD2 0.05 0.03 0.01 -0.04 7.15 7.20 2gx2B1 TYR 169 HE2 -0.01 -0.04 -0.02 -0.04 6.85 6.74 2gx2B1 ARG 170 H 0.08 0.15 0.17 -0.55 8.46 8.30 2gx2B1 ARG 170 HA 0.05 0.25 0.93 -0.75 4.34 4.81 2gx2B1 ARG 170 HB2 0.03 -0.05 0.15 -0.04 1.90 1.98 2gx2B1 ARG 170 HB3 0.00 0.07 0.03 -0.04 1.80 1.86 2gx2B1 ARG 170 HG2 0.07 -0.10 -0.11 -0.04 1.67 1.49 2gx2B1 ARG 170 HG3 0.04 0.01 0.00 -0.04 1.67 1.68 2gx2B1 ARG 170 HD2 0.02 0.27 0.01 -0.04 3.22 3.48 2gx2B1 ARG 170 HD3 0.00 -0.03 -0.08 -0.04 3.22 3.07 2gx2B1 CYS 171 H 0.01 0.75 0.35 -0.55 8.50 9.05 2gx2B1 CYS 171 HA -0.18 0.23 0.79 -0.75 4.58 4.67 2gx2B1 CYS 171 HB2 -0.35 -0.03 -0.30 -0.04 2.97 2.25 2gx2B1 CYS 171 HB3 0.15 -0.04 -0.12 -0.04 2.97 2.92 2gx2B1 ASP 172 H -0.06 0.59 0.26 -0.55 8.40 8.64 2gx2B1 ASP 172 HA -0.02 0.20 1.16 -0.75 4.63 5.22 2gx2B1 ASP 172 HB2 -0.01 -0.00 0.22 -0.04 2.71 2.88 2gx2B1 ASP 172 HB3 0.00 0.05 0.04 -0.04 2.70 2.75 2gx2B1 PHE 173 H 0.07 0.67 0.40 -0.55 8.34 8.92 2gx2B1 PHE 173 HA -0.14 0.24 0.98 -0.75 4.62 4.95 2gx2B1 PHE 173 HB2 -0.17 -0.05 0.20 -0.04 3.15 3.08 2gx2B1 PHE 173 HB3 -0.20 0.05 -0.08 -0.04 3.06 2.79 2gx2B1 PHE 173 HD2 -0.27 -0.05 -0.38 -0.04 7.28 6.53 2gx2B1 PHE 173 HE2 -0.36 -0.02 -0.20 -0.04 7.38 6.75 2gx2B1 PHE 173 HZ -0.78 -0.02 -0.17 -0.04 7.32 6.31 2gx2B1 LYS 174 H -0.07 0.54 0.32 -0.55 8.42 8.66 2gx2B1 LYS 174 HA -0.02 0.16 0.95 -0.75 4.32 4.66 2gx2B1 LYS 174 HB2 -0.04 -0.03 0.22 -0.04 1.87 1.99 2gx2B1 LYS 174 HB3 -0.03 0.01 0.08 -0.04 1.79 1.81 2gx2B1 LYS 174 HG2 0.02 0.04 0.02 -0.04 1.46 1.51 2gx2B1 LYS 174 HG3 0.01 -0.03 -0.36 -0.04 1.46 1.04 2gx2B1 LYS 174 HD2 -0.01 -0.02 -0.03 -0.04 1.69 1.59 2gx2B1 LYS 174 HD3 0.01 0.00 -0.02 -0.04 1.68 1.63 2gx2B1 LYS 174 HE2 0.00 -0.01 -0.07 -0.04 2.99 2.88 2gx2B1 LYS 174 HE3 0.01 -0.01 -0.03 -0.04 2.99 2.91 2gx2B1 THR 175 H -0.13 0.74 0.37 -0.55 8.28 8.71 2gx2B1 THR 175 HA -0.20 0.32 1.28 -0.75 4.39 5.03 2gx2B1 THR 175 HB -0.51 -0.05 0.08 -0.04 4.32 3.80 2gx2B1 THR 175 HG23 -0.87 0.01 -0.14 -0.04 1.22 0.19 2gx2B1 THR 176 H -0.18 0.66 0.44 -0.55 8.28 8.65 2gx2B1 THR 176 HA -0.17 0.21 1.03 -0.75 4.39 4.70 2gx2B1 THR 176 HB -0.03 -0.07 0.16 -0.04 4.32 4.34 2gx2B1 THR 176 HG23 -0.02 0.01 -0.13 -0.04 1.22 1.03 2gx2B1 TYR 177 H 0.04 0.98 0.39 -0.55 8.29 9.15 2gx2B1 TYR 177 HA 0.35 0.20 1.05 -0.75 4.56 5.41 2gx2B1 TYR 177 HB2 -0.10 -0.06 0.11 -0.04 3.06 2.97 2gx2B1 TYR 177 HB3 0.35 -0.01 -0.03 -0.04 2.98 3.24 2gx2B1 TYR 177 HD2 0.25 0.06 -0.25 -0.04 7.15 7.17 2gx2B1 TYR 177 HE2 -0.22 0.01 -0.22 -0.04 6.85 6.37 2gx2B1 LYS 178 H 0.43 0.78 0.35 -0.55 8.42 9.42 2gx2B1 LYS 178 HA 0.25 0.11 1.09 -0.75 4.32 5.01 2gx2B1 LYS 178 HB2 0.13 -0.03 0.12 -0.04 1.87 2.05 2gx2B1 LYS 178 HB3 0.10 0.10 -0.01 -0.04 1.79 1.93 2gx2B1 LYS 178 HG2 0.07 0.05 -0.09 -0.04 1.46 1.45 2gx2B1 LYS 178 HG3 0.10 -0.08 -0.51 -0.04 1.46 0.93 2gx2B1 LYS 178 HD2 0.05 -0.02 -0.11 -0.04 1.69 1.56 2gx2B1 LYS 178 HD3 0.04 0.02 -0.07 -0.04 1.68 1.63 2gx2B1 LYS 178 HE2 0.02 0.03 -0.08 -0.04 2.99 2.92 2gx2B1 LYS 178 HE3 0.02 -0.03 -0.12 -0.04 2.99 2.82 2gx2B1 ALA 179 H 0.22 0.13 0.17 -0.55 8.40 8.37 2gx2B1 ALA 179 HA -0.04 0.08 0.64 -0.75 4.34 4.27 2gx2B1 ALA 179 HB3 -0.48 0.02 0.14 -0.04 1.41 1.05 2gx2B1 LYS 180 H -0.07 0.66 0.38 -0.55 8.42 8.84 2gx2B1 LYS 180 HA -0.02 0.06 0.53 -0.75 4.32 4.15 2gx2B1 LYS 180 HB2 -0.06 0.12 -0.06 -0.04 1.87 1.82 2gx2B1 LYS 180 HB3 -0.03 -0.08 0.10 -0.04 1.79 1.74 2gx2B1 LYS 180 HG2 -0.01 -0.07 -0.06 -0.04 1.46 1.28 2gx2B1 LYS 180 HG3 -0.01 -0.04 -0.15 -0.04 1.46 1.22 2gx2B1 LYS 180 HD2 -0.05 0.19 -0.39 -0.04 1.69 1.40 2gx2B1 LYS 180 HD3 -0.02 -0.07 -0.07 -0.04 1.68 1.48 2gx2B1 LYS 180 HE2 -0.02 -0.10 -0.11 -0.04 2.99 2.71 2gx2B1 LYS 180 HE3 -0.04 -0.08 -0.26 -0.04 2.99 2.57 2gx2B1 LYS 181 H -0.10 0.18 -0.35 -0.55 8.42 7.60 2gx2B1 LYS 181 HA -0.04 0.09 0.59 -0.75 4.32 4.20 2gx2B1 LYS 181 HB2 -0.05 -0.06 0.10 -0.04 1.87 1.82 2gx2B1 LYS 181 HB3 -0.05 0.04 -0.15 -0.04 1.79 1.58 2gx2B1 LYS 181 HG2 -0.11 -0.00 -0.05 -0.04 1.46 1.25 2gx2B1 LYS 181 HG3 -0.11 0.07 -0.42 -0.04 1.46 0.96 2gx2B1 LYS 181 HD2 -0.05 -0.03 -0.04 -0.04 1.69 1.53 2gx2B1 LYS 181 HD3 -0.05 -0.09 -0.06 -0.04 1.68 1.44 2gx2B1 LYS 181 HE2 -0.09 0.04 -0.16 -0.04 2.99 2.75 2gx2B1 LYS 181 HE3 -0.08 0.05 -0.04 -0.04 2.99 2.88 2gx2B1 VAL 182 H -0.04 0.09 0.11 -0.55 8.24 7.84 2gx2B1 VAL 182 HA -0.05 0.08 0.51 -0.75 4.13 3.92 2gx2B1 VAL 182 HB -0.03 -0.03 0.14 -0.04 2.12 2.16 2gx2B1 VAL 182 HG13 -0.02 -0.00 -0.12 -0.04 0.97 0.78 2gx2B1 VAL 182 HG23 -0.02 -0.00 0.04 -0.04 0.95 0.93 2gx2B1 VAL 183 H -0.08 0.23 0.24 -0.55 8.24 8.08 2gx2B1 VAL 183 HA -0.09 0.16 0.69 -0.75 4.13 4.13 2gx2B1 VAL 183 HB -0.22 -0.04 0.04 -0.04 2.12 1.86 2gx2B1 VAL 183 HG13 -0.24 0.04 -0.39 -0.04 0.97 0.34 2gx2B1 VAL 183 HG23 -0.48 0.02 -0.11 -0.04 0.95 0.34 2gx2B1 GLN 184 H -0.07 0.13 0.07 -0.55 8.47 8.06 2gx2B1 GLN 184 HA -0.02 0.05 0.53 -0.75 4.36 4.16 2gx2B1 GLN 184 HB2 -0.03 0.01 0.07 -0.04 2.15 2.16 2gx2B1 GLN 184 HB3 -0.04 -0.03 0.03 -0.04 2.02 1.94 2gx2B1 GLN 184 HG2 -0.01 0.09 -0.24 -0.04 2.40 2.19 2gx2B1 GLN 184 HG3 -0.01 -0.01 0.03 -0.04 2.39 2.35 2gx2B1 GLN 184 HE21 -0.01 -0.01 -0.04 -0.04 6.97 6.88 2gx2B1 GLN 184 HE22 -0.00 0.03 -0.03 -0.04 7.69 7.64 2gx2B1 LEU 185 H 0.01 0.10 0.15 -0.55 8.37 8.09 2gx2B1 LEU 185 HA 0.08 0.16 0.65 -0.75 4.35 4.48 2gx2B1 LEU 185 HB2 0.01 -0.06 0.09 -0.04 1.64 1.63 2gx2B1 LEU 185 HB3 -0.01 0.05 -0.03 -0.04 1.64 1.61 2gx2B1 LEU 185 HG 0.04 0.05 0.03 -0.04 1.64 1.71 2gx2B1 LEU 185 HD13 0.01 -0.02 -0.01 -0.04 0.93 0.87 2gx2B1 LEU 185 HD23 0.11 0.04 -0.15 -0.04 0.89 0.85 2gx2B1 PRO 186 HA -0.00 0.01 0.54 -0.51 4.44 4.48 2gx2B1 PRO 186 HB2 0.03 0.20 0.04 -0.04 2.28 2.51 2gx2B1 PRO 186 HB3 -0.07 0.14 0.06 -0.04 2.02 2.12 2gx2B1 PRO 186 HG2 0.01 0.01 -0.08 -0.04 2.03 1.93 2gx2B1 PRO 186 HG3 0.01 -0.02 -0.01 -0.04 2.03 1.97 2gx2B1 PRO 186 HD2 -0.08 0.05 0.13 -0.04 3.68 3.73 2gx2B1 PRO 186 HD3 0.02 0.18 0.11 -0.04 3.65 3.91 2gx2B1 ASP 187 H 0.03 0.05 0.16 -0.55 8.40 8.10 2gx2B1 ASP 187 HA 0.07 0.08 0.68 -0.75 4.63 4.71 2gx2B1 ASP 187 HB2 0.05 0.01 0.12 -0.04 2.71 2.85 2gx2B1 ASP 187 HB3 0.08 0.03 0.15 -0.04 2.70 2.92 2gx2B1 TYR 188 H 0.17 0.04 0.19 -0.55 8.29 8.15 2gx2B1 TYR 188 HA -0.06 0.25 0.60 -0.75 4.56 4.60 2gx2B1 TYR 188 HB2 -0.04 -0.07 0.24 -0.04 3.06 3.15 2gx2B1 TYR 188 HB3 -0.07 -0.03 0.19 -0.04 2.98 3.02 2gx2B1 TYR 188 HD2 -0.20 -0.05 -0.06 -0.04 7.15 6.79 2gx2B1 TYR 188 HE2 -0.25 -0.03 -0.06 -0.04 6.85 6.46 2gx2B1 HIS 189 H -0.73 0.48 0.44 -0.55 8.41 8.06 2gx2B1 HIS 189 HA -0.54 0.10 0.74 -0.75 4.63 4.19 2gx2B1 HIS 189 HB2 -0.16 0.07 0.25 -0.04 3.26 3.38 2gx2B1 HIS 189 HB3 -0.10 0.04 -0.15 -0.04 3.20 2.95 2gx2B1 HIS 189 HD2 -0.19 0.11 -0.13 -0.04 6.97 6.72 2gx2B1 HIS 189 HE1 -0.03 -0.07 -0.09 -0.04 7.75 7.52 2gx2B1 PHE 190 H -0.10 0.64 0.46 -0.55 8.34 8.79 2gx2B1 PHE 190 HA -0.30 0.33 1.20 -0.75 4.62 5.10 2gx2B1 PHE 190 HB2 -1.09 -0.08 0.02 -0.04 3.15 1.95 2gx2B1 PHE 190 HB3 -0.27 0.03 0.05 -0.04 3.06 2.82 2gx2B1 PHE 190 HD2 -0.13 0.08 -0.10 -0.04 7.28 7.09 2gx2B1 PHE 190 HE2 0.15 0.03 -0.04 -0.04 7.38 7.47 2gx2B1 PHE 190 HZ 0.19 -0.01 -0.06 -0.04 7.32 7.40 2gx2B1 VAL 191 H -0.05 0.55 0.26 -0.55 8.24 8.44 2gx2B1 VAL 191 HA -0.18 0.23 0.89 -0.75 4.13 4.31 2gx2B1 VAL 191 HB -0.13 -0.08 0.04 -0.04 2.12 1.90 2gx2B1 VAL 191 HG13 -0.55 0.01 -0.30 -0.04 0.97 0.09 2gx2B1 VAL 191 HG23 -0.13 -0.01 -0.24 -0.04 0.95 0.53 2gx2B1 ASP 192 H -0.04 0.70 0.33 -0.55 8.40 8.83 2gx2B1 ASP 192 HA 0.01 0.18 0.98 -0.75 4.63 5.05 2gx2B1 ASP 192 HB2 -0.03 0.03 0.24 -0.04 2.71 2.91 2gx2B1 ASP 192 HB3 -0.05 0.03 0.06 -0.04 2.70 2.70 2gx2B1 HIS 193 H 0.08 0.71 0.47 -0.55 8.41 9.13 2gx2B1 HIS 193 HA -0.01 0.36 1.14 -0.75 4.63 5.37 2gx2B1 HIS 193 HB2 -0.05 -0.10 -0.02 -0.04 3.26 3.06 2gx2B1 HIS 193 HB3 -0.00 -0.03 -0.08 -0.04 3.20 3.04 2gx2B1 HIS 193 HD2 -0.07 -0.05 -0.16 -0.04 6.97 6.65 2gx2B1 HIS 193 HE1 -0.09 0.02 -0.21 -0.04 7.75 7.43 2gx2B1 HIS 194 H 0.22 0.38 0.12 -0.55 8.41 8.59 2gx2B1 HIS 194 HA 0.10 0.06 0.65 -0.75 4.63 4.69 2gx2B1 HIS 194 HB2 0.07 0.04 -0.08 -0.04 3.26 3.25 2gx2B1 HIS 194 HB3 0.13 -0.02 0.17 -0.04 3.20 3.43 2gx2B1 HIS 194 HD2 0.13 0.03 -0.02 -0.04 6.97 7.06 2gx2B1 HIS 194 HE1 0.08 -0.03 -0.03 -0.04 7.75 7.72 2gx2B1 ILE 195 H 0.29 0.18 0.05 -0.55 8.25 8.23 2gx2B1 ILE 195 HA 0.13 0.31 1.11 -0.75 4.18 4.98 2gx2B1 ILE 195 HB 0.10 -0.01 -0.06 -0.04 1.89 1.89 2gx2B1 ILE 195 HG12 0.23 -0.08 -0.23 -0.04 1.49 1.36 2gx2B1 ILE 195 HG13 0.16 0.19 -0.04 -0.04 1.21 1.48 2gx2B1 ILE 195 HG23 0.17 -0.02 -0.07 -0.04 0.93 0.96 2gx2B1 ILE 195 HD13 0.16 -0.02 -0.34 -0.04 0.88 0.65 2gx2B1 GLU 196 H 0.12 0.84 0.36 -0.55 8.60 9.37 2gx2B1 GLU 196 HA 0.15 0.08 0.80 -0.75 4.29 4.57 2gx2B1 GLU 196 HB2 -0.03 -0.04 -0.06 -0.04 2.09 1.92 2gx2B1 GLU 196 HB3 0.01 0.07 -0.10 -0.04 1.99 1.93 2gx2B1 GLU 196 HG2 -0.05 0.09 -0.14 -0.04 2.34 2.21 2gx2B1 GLU 196 HG3 -0.41 -0.08 -0.74 -0.04 2.34 1.08 2gx2B1 ILE 197 H 0.14 0.18 0.14 -0.55 8.25 8.16 2gx2B1 ILE 197 HA 0.14 0.14 0.83 -0.75 4.18 4.53 2gx2B1 ILE 197 HB 0.14 0.03 0.17 -0.04 1.89 2.19 2gx2B1 ILE 197 HG12 0.19 0.02 -0.06 -0.04 1.49 1.60 2gx2B1 ILE 197 HG13 0.22 -0.07 -0.04 -0.04 1.21 1.28 2gx2B1 ILE 197 HG23 0.13 -0.00 -0.13 -0.04 0.93 0.88 2gx2B1 ILE 197 HD13 0.18 0.00 -0.09 -0.04 0.88 0.94 2gx2B1 LYS 198 H 0.07 0.52 0.36 -0.55 8.42 8.81 2gx2B1 LYS 198 HA -0.05 0.11 0.68 -0.75 4.32 4.31 2gx2B1 LYS 198 HB2 -0.08 0.00 0.08 -0.04 1.87 1.83 2gx2B1 LYS 198 HB3 -0.16 -0.03 0.03 -0.04 1.79 1.58 2gx2B1 LYS 198 HG2 -0.27 0.06 -0.05 -0.04 1.46 1.15 2gx2B1 LYS 198 HG3 -1.19 -0.02 -0.04 -0.04 1.46 0.17 2gx2B1 LYS 198 HD2 -0.22 -0.02 -0.00 -0.04 1.69 1.41 2gx2B1 LYS 198 HD3 -0.13 0.03 -0.11 -0.04 1.68 1.43 2gx2B1 LYS 198 HE2 -0.20 0.01 -0.08 -0.04 2.99 2.68 2gx2B1 LYS 198 HE3 -0.41 -0.01 -0.05 -0.04 2.99 2.48 2gx2B1 SER 199 H 0.03 0.32 0.24 -0.55 8.46 8.50 2gx2B1 SER 199 HA -0.09 0.16 0.54 -0.75 4.49 4.35 2gx2B1 SER 199 HB2 -0.10 -0.01 0.09 -0.04 3.95 3.89 2gx2B1 SER 199 HB3 -0.06 0.13 -0.14 -0.04 3.93 3.82 2gx2B1 HIS 200 H -0.36 0.36 0.22 -0.55 8.41 8.09 2gx2B1 HIS 200 HA -0.18 0.22 0.65 -0.75 4.63 4.56 2gx2B1 HIS 200 HB2 -0.51 -0.00 0.21 -0.04 3.26 2.93 2gx2B1 HIS 200 HB3 -0.23 0.04 -0.01 -0.04 3.20 2.96 2gx2B1 HIS 200 HD2 -0.09 -0.00 -0.23 -0.04 6.97 6.60 2gx2B1 HIS 200 HE1 -0.33 0.03 -0.09 -0.04 7.75 7.31 2gx2B1 ASP 201 H -0.12 0.28 0.29 -0.55 8.40 8.30 2gx2B1 ASP 201 HA -0.18 0.22 0.85 -0.75 4.63 4.76 2gx2B1 ASP 201 HB2 -0.08 -0.03 0.19 -0.04 2.71 2.75 2gx2B1 ASP 201 HB3 -0.09 0.10 0.12 -0.04 2.70 2.79 2gx2B1 LYS 202 H -0.10 0.15 0.17 -0.55 8.42 8.09 2gx2B1 LYS 202 HA -0.07 0.13 0.35 -0.75 4.32 3.98 2gx2B1 LYS 202 HB2 -0.05 0.01 0.19 -0.04 1.87 1.97 2gx2B1 LYS 202 HB3 -0.04 -0.06 0.13 -0.04 1.79 1.78 2gx2B1 LYS 202 HG2 -0.01 0.06 -0.13 -0.04 1.46 1.34 2gx2B1 LYS 202 HG3 -0.02 0.03 0.06 -0.04 1.46 1.49 2gx2B1 LYS 202 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.62 2gx2B1 LYS 202 HD3 -0.01 0.03 -0.00 -0.04 1.68 1.66 2gx2B1 LYS 202 HE2 -0.03 0.02 0.04 -0.04 2.99 2.98 2gx2B1 LYS 202 HE3 -0.03 -0.05 0.06 -0.04 2.99 2.92 2gx2B1 ASP 203 H -0.04 -0.02 -0.14 -0.55 8.40 7.65 2gx2B1 ASP 203 HA 0.10 0.34 0.89 -0.75 4.63 5.21 2gx2B1 ASP 203 HB2 0.02 0.04 0.18 -0.04 2.71 2.92 2gx2B1 ASP 203 HB3 0.01 0.05 0.03 -0.04 2.70 2.75 2gx2B1 TYR 204 H -0.18 0.58 -0.25 -0.55 8.29 7.89 2gx2B1 TYR 204 HA -0.15 0.06 0.28 -0.75 4.56 4.00 2gx2B1 TYR 204 HB2 -0.11 0.23 -0.03 -0.04 3.06 3.11 2gx2B1 TYR 204 HB3 -0.48 -0.06 0.14 -0.04 2.98 2.53 2gx2B1 TYR 204 HD2 -0.38 -0.02 -0.18 -0.04 7.15 6.52 2gx2B1 TYR 204 HE2 -0.38 0.04 -0.03 -0.04 6.85 6.44 2gx2B1 SER 205 H -0.01 -0.03 -0.33 -0.55 8.46 7.54 2gx2B1 SER 205 HA 0.04 0.08 0.44 -0.75 4.49 4.30 2gx2B1 SER 205 HB2 0.00 -0.02 0.04 -0.04 3.95 3.94 2gx2B1 SER 205 HB3 -0.01 -0.04 0.03 -0.04 3.93 3.87 2gx2B1 ASN 206 H -0.06 -0.05 -0.17 -0.55 8.53 7.71 2gx2B1 ASN 206 HA -0.04 0.50 1.01 -0.75 4.76 5.48 2gx2B1 ASN 206 HB2 -0.05 -0.16 0.10 -0.04 2.88 2.72 2gx2B1 ASN 206 HB3 -0.04 0.05 -0.03 -0.04 2.79 2.72 2gx2B1 ASN 206 HD21 -0.01 0.07 -0.10 -0.04 7.03 6.95 2gx2B1 ASN 206 HD22 -0.03 -0.15 -0.10 -0.04 7.74 7.42 2gx2B1 VAL 207 H -0.07 0.60 0.32 -0.55 8.24 8.54 2gx2B1 VAL 207 HA -0.07 0.21 1.11 -0.75 4.13 4.62 2gx2B1 VAL 207 HB -0.18 -0.03 0.05 -0.04 2.12 1.92 2gx2B1 VAL 207 HG13 -0.04 -0.00 -0.19 -0.04 0.97 0.70 2gx2B1 VAL 207 HG23 -0.76 0.02 -0.19 -0.04 0.95 -0.03 2gx2B1 ASN 208 H 0.01 0.71 0.34 -0.55 8.53 9.04 2gx2B1 ASN 208 HA 0.03 0.33 1.11 -0.75 4.76 5.47 2gx2B1 ASN 208 HB2 0.02 -0.02 0.04 -0.04 2.88 2.88 2gx2B1 ASN 208 HB3 0.04 -0.12 0.25 -0.04 2.79 2.92 2gx2B1 ASN 208 HD21 0.11 -0.03 -0.07 -0.04 7.03 7.00 2gx2B1 ASN 208 HD22 0.04 0.10 -0.00 -0.04 7.74 7.84 2gx2B1 LEU 209 H 0.06 0.71 0.39 -0.55 8.37 8.97 2gx2B1 LEU 209 HA 0.18 0.16 1.10 -0.75 4.35 5.04 2gx2B1 LEU 209 HB2 0.15 -0.06 -0.11 -0.04 1.64 1.58 2gx2B1 LEU 209 HB3 0.09 -0.00 0.04 -0.04 1.64 1.74 2gx2B1 LEU 209 HG 0.17 0.08 -0.28 -0.04 1.64 1.56 2gx2B1 LEU 209 HD13 0.25 0.01 -0.20 -0.04 0.93 0.94 2gx2B1 LEU 209 HD23 0.30 0.02 -0.14 -0.04 0.89 1.03 2gx2B1 HIS 210 H 0.23 0.70 0.44 -0.55 8.41 9.23 2gx2B1 HIS 210 HA 0.01 0.31 1.17 -0.75 4.63 5.38 2gx2B1 HIS 210 HB2 0.00 0.00 0.13 -0.04 3.26 3.36 2gx2B1 HIS 210 HB3 -0.00 0.04 0.05 -0.04 3.20 3.25 2gx2B1 HIS 210 HD2 0.01 -0.17 -0.58 -0.04 6.97 6.18 2gx2B1 HIS 210 HE1 -0.02 -0.02 -0.06 -0.04 7.75 7.62 2gx2B1 GLU 211 H 0.05 0.57 0.36 -0.55 8.60 9.04 2gx2B1 GLU 211 HA 0.13 0.26 0.96 -0.75 4.29 4.89 2gx2B1 GLU 211 HB2 0.12 -0.05 -0.24 -0.04 2.09 1.88 2gx2B1 GLU 211 HB3 0.09 0.03 -0.10 -0.04 1.99 1.96 2gx2B1 GLU 211 HG2 0.17 0.06 -0.25 -0.04 2.34 2.29 2gx2B1 GLU 211 HG3 0.15 -0.12 -0.20 -0.04 2.34 2.12 2gx2B1 HIS 212 H 0.20 0.47 0.29 -0.55 8.41 8.83 2gx2B1 HIS 212 HA 0.07 0.37 1.04 -0.75 4.63 5.36 2gx2B1 HIS 212 HB2 0.06 -0.05 -0.01 -0.04 3.26 3.22 2gx2B1 HIS 212 HB3 0.10 -0.05 0.16 -0.04 3.20 3.37 2gx2B1 HIS 212 HD2 0.08 -0.06 -0.06 -0.04 6.97 6.89 2gx2B1 HIS 212 HE1 0.05 0.10 -0.03 -0.04 7.75 7.83 2gx2B1 ALA 213 H 0.16 0.77 0.37 -0.55 8.40 9.16 2gx2B1 ALA 213 HA -0.21 0.30 1.06 -0.75 4.34 4.74 2gx2B1 ALA 213 HB3 -0.11 0.02 -0.00 -0.04 1.41 1.28 2gx2B1 GLU 214 H -0.21 0.49 0.32 -0.55 8.60 8.65 2gx2B1 GLU 214 HA -0.08 0.10 0.99 -0.75 4.29 4.54 2gx2B1 GLU 214 HB2 -0.10 -0.09 0.08 -0.04 2.09 1.94 2gx2B1 GLU 214 HB3 -0.03 0.10 0.05 -0.04 1.99 2.08 2gx2B1 GLU 214 HG2 0.04 0.09 0.02 -0.04 2.34 2.45 2gx2B1 GLU 214 HG3 -0.26 -0.05 -0.36 -0.04 2.34 1.63 2gx2B1 ALA 215 H -0.21 0.72 0.26 -0.55 8.40 8.63 2gx2B1 ALA 215 HA -0.20 0.20 1.07 -0.75 4.34 4.66 2gx2B1 ALA 215 HB3 -0.80 -0.02 0.10 -0.04 1.41 0.65 2gx2B1 HIS 216 H -0.18 0.67 0.44 -0.55 8.41 8.79 2gx2B1 HIS 216 HA 0.02 0.07 0.52 -0.75 4.63 4.48 2gx2B1 HIS 216 HB2 0.04 -0.13 0.12 -0.04 3.26 3.26 2gx2B1 HIS 216 HB3 -0.00 0.17 -0.05 -0.04 3.20 3.28 2gx2B1 HIS 216 HD2 -0.04 0.15 -0.21 -0.04 6.97 6.81 2gx2B1 HIS 216 HE1 -0.37 0.01 -0.08 -0.04 7.75 7.26 2gx2B1 SER 217 H 0.21 0.11 0.08 -0.55 8.46 8.31 2gx2B1 SER 217 HA 0.36 0.20 0.69 -0.75 4.49 4.99 2gx2B1 SER 217 HB2 0.14 0.08 0.11 -0.04 3.95 4.24 2gx2B1 SER 217 HB3 0.10 0.07 -0.09 -0.04 3.93 3.97