NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
555004 | 2m0p | 18816 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR1103 HT1 THR1103 17.329 19.271 4.916 2 H2 THR1103 HT2 THR1103 18.650 19.768 5.844 3 H3 THR1103 HT3 THR1103 17.173 19.427 6.589 4 HA THR1103 HA THR1103 18.898 17.477 5.189 5 HB THR1103 HB THR1103 18.261 17.681 8.141 6 HG1 THR1103 HG1 THR1103 20.215 18.640 8.395 7 HG21 THR1103 HG21 THR1103 20.045 16.022 8.386 8 HG22 THR1103 HG22 THR1103 20.255 15.981 6.637 9 HG23 THR1103 HG23 THR1103 18.750 15.410 7.358 10 H HIS1104 HN HIS1104 17.318 16.461 4.005 11 HA HIS1104 HA HIS1104 14.815 15.694 5.255 12 HB2 HIS1104 HB2 HIS1104 15.929 15.251 2.482 13 HB3 HIS1104 HB1 HIS1104 14.373 14.624 3.010 14 HD1 HIS1104 HD1 HIS1104 16.012 17.644 1.712 15 HD2 HIS1104 HD2 HIS1104 12.432 16.672 3.582 16 HE1 HIS1104 HE1 HIS1104 14.492 19.610 1.326 17 HE2 HIS1104 HE2 HIS1104 12.300 18.958 2.384 18 H ALA1105 HN ALA1105 14.157 13.579 5.648 19 HA ALA1105 HA ALA1105 16.363 11.700 6.022 20 HB1 ALA1105 HB1 ALA1105 14.860 10.463 7.458 21 HB2 ALA1105 HB2 ALA1105 13.521 11.520 7.012 22 HB3 ALA1105 HB3 ALA1105 14.882 12.161 7.934 23 HA PRO1106 HA PRO1106 14.979 9.685 2.298 24 HB2 PRO1106 HB2 PRO1106 16.859 7.729 2.298 25 HB3 PRO1106 HB1 PRO1106 17.201 9.387 1.797 26 HG2 PRO1106 HG2 PRO1106 17.807 8.022 4.381 27 HG3 PRO1106 HG1 PRO1106 18.783 9.187 3.471 28 HD2 PRO1106 HD2 PRO1106 17.284 9.834 5.670 29 HD3 PRO1106 HD1 PRO1106 17.707 10.987 4.393 30 H ALA1107 HN ALA1107 13.289 8.366 2.207 31 HA ALA1107 HA ALA1107 12.661 6.616 4.405 32 HB1 ALA1107 HB1 ALA1107 10.911 7.893 3.256 33 HB2 ALA1107 HB2 ALA1107 10.602 6.159 3.195 34 HB3 ALA1107 HB3 ALA1107 11.233 6.991 1.776 35 H SER1108 HN SER1108 11.926 4.332 3.916 36 HA SER1108 HA SER1108 14.079 2.867 2.821 37 HB2 SER1108 HB2 SER1108 12.407 0.925 3.114 38 HB3 SER1108 HB1 SER1108 12.909 1.806 4.556 39 HG SER1108 HG SER1108 10.477 2.018 3.111 40 H CYS1109 HN CYS1109 13.921 1.290 1.055 41 HA CYS1109 HA CYS1109 13.731 0.848 -1.160 42 HB2 CYS1109 HB2 CYS1109 10.963 1.962 -0.733 43 HB3 CYS1109 HB1 CYS1109 11.479 1.090 -2.172 44 H LEU1110 HN LEU1110 12.456 2.182 -3.236 45 HA LEU1110 HA LEU1110 14.266 4.327 -3.723 46 HB2 LEU1110 HB2 LEU1110 12.982 2.608 -5.285 47 HB3 LEU1110 HB1 LEU1110 11.808 3.899 -5.347 48 HG LEU1110 HG LEU1110 13.543 5.416 -6.236 49 HD11 LEU1110 HD11 LEU1110 15.642 4.447 -7.059 50 HD12 LEU1110 HD12 LEU1110 15.229 2.916 -6.288 51 HD13 LEU1110 HD13 LEU1110 15.518 4.349 -5.303 52 HD21 LEU1110 HD21 LEU1110 13.131 2.850 -7.765 53 HD22 LEU1110 HD22 LEU1110 13.615 4.399 -8.459 54 HD23 LEU1110 HD23 LEU1110 12.023 4.221 -7.718 55 H ASP1111 HN ASP1111 13.467 6.514 -4.503 56 HA ASP1111 HA ASP1111 11.804 7.776 -2.592 57 HB2 ASP1111 HB2 ASP1111 13.487 9.036 -3.849 58 HB3 ASP1111 HB1 ASP1111 12.626 8.723 -5.351 59 H THR1112 HN THR1112 11.247 6.607 -5.863 60 HA THR1112 HA THR1112 8.451 7.371 -5.776 61 HB THR1112 HB THR1112 8.487 6.213 -8.086 62 HG1 THR1112 HG1 THR1112 10.350 5.432 -8.711 63 HG21 THR1112 HG21 THR1112 10.157 8.676 -7.575 64 HG22 THR1112 HG22 THR1112 8.407 8.632 -7.790 65 HG23 THR1112 HG23 THR1112 9.471 8.204 -9.130 66 H GLN1113 HN GLN1113 10.160 4.848 -4.549 67 HA GLN1113 HA GLN1113 8.135 2.853 -5.183 68 HB2 GLN1113 HB2 GLN1113 10.858 2.699 -3.949 69 HB3 GLN1113 HB1 GLN1113 9.712 1.383 -3.767 70 HG2 GLN1113 HG2 GLN1113 9.522 1.283 -6.228 71 HG3 GLN1113 HG1 GLN1113 10.799 2.482 -6.340 72 HE21 GLN1113 HE21 GLN1113 10.756 -0.246 -7.325 73 HE22 GLN1113 HE22 GLN1113 12.098 -1.047 -6.585 74 H TYR1114 HN TYR1114 7.107 1.680 -3.635 75 HA TYR1114 HA TYR1114 6.667 3.093 -1.093 76 HB2 TYR1114 HB2 TYR1114 4.669 2.735 -2.489 77 HB3 TYR1114 HB1 TYR1114 5.016 1.017 -2.525 78 HD1 TYR1114 HD1 TYR1114 4.342 3.732 -0.048 79 HD2 TYR1114 HD2 TYR1114 3.916 -0.375 -1.076 80 HE1 TYR1114 HE1 TYR1114 2.924 3.384 1.933 81 HE2 TYR1114 HE2 TYR1114 2.504 -0.733 0.901 82 HH TYR1114 HH TYR1114 1.974 0.217 2.988 83 H THR1115 HN THR1115 6.685 1.912 0.823 84 HA THR1115 HA THR1115 8.232 -0.582 0.661 85 HB THR1115 HB THR1115 7.965 1.114 3.139 86 HG1 THR1115 HG1 THR1115 8.930 2.202 1.177 87 HG21 THR1115 HG21 THR1115 8.777 -1.208 3.378 88 HG22 THR1115 HG22 THR1115 10.020 -0.026 3.785 89 HG23 THR1115 HG23 THR1115 10.070 -0.857 2.230 90 H CYS1116 HN CYS1116 6.809 -2.180 0.654 91 HA CYS1116 HA CYS1116 4.262 -2.103 1.864 92 HB2 CYS1116 HB2 CYS1116 5.850 -4.560 1.119 93 HB3 CYS1116 HB1 CYS1116 4.101 -4.422 1.252 94 H ASP1117 HN ASP1117 3.555 -3.829 3.494 95 HA ASP1117 HA ASP1117 4.966 -3.459 5.925 96 HB2 ASP1117 HB2 ASP1117 2.531 -3.901 5.816 97 HB3 ASP1117 HB1 ASP1117 2.865 -5.535 5.253 98 H ASN1118 HN ASN1118 4.973 -5.913 3.466 99 HA ASN1118 HA ASN1118 6.649 -7.747 4.915 100 HB2 ASN1118 HB2 ASN1118 4.955 -8.402 3.172 101 HB3 ASN1118 HB1 ASN1118 6.039 -7.717 1.976 102 HD21 ASN1118 HD21 ASN1118 5.627 -10.254 4.334 103 HD22 ASN1118 HD22 ASN1118 6.834 -11.312 3.691 104 H HIS1119 HN HIS1119 7.321 -4.824 3.925 105 HA HIS1119 HA HIS1119 9.209 -3.644 3.541 106 HB2 HIS1119 HB2 HIS1119 10.576 -6.306 3.954 107 HB3 HIS1119 HB1 HIS1119 11.430 -4.778 3.756 108 HD1 HIS1119 HD1 HIS1119 10.033 -6.935 6.291 109 HD2 HIS1119 HD2 HIS1119 10.696 -2.852 5.881 110 HE1 HIS1119 HE1 HIS1119 9.910 -5.992 8.615 111 HE2 HIS1119 HE2 HIS1119 10.429 -3.543 8.357 112 H GLN1120 HN GLN1120 7.740 -5.207 1.405 113 HA GLN1120 HA GLN1120 9.698 -5.602 -0.657 114 HB2 GLN1120 HB2 GLN1120 7.594 -6.896 -0.588 115 HB3 GLN1120 HB1 GLN1120 6.681 -5.414 -0.836 116 HG2 GLN1120 HG2 GLN1120 6.903 -6.717 -2.891 117 HG3 GLN1120 HG1 GLN1120 7.667 -5.134 -3.026 118 HE21 GLN1120 HE21 GLN1120 8.199 -8.557 -2.758 119 HE22 GLN1120 HE22 GLN1120 9.859 -8.540 -3.247 120 H CYS1121 HN CYS1121 10.050 -4.293 -2.458 121 HA CYS1121 HA CYS1121 9.223 -1.491 -2.102 122 HB2 CYS1121 HB2 CYS1121 11.605 -2.628 -3.583 123 HB3 CYS1121 HB1 CYS1121 11.216 -0.917 -3.442 124 H ILE1122 HN ILE1122 7.376 -1.317 -3.261 125 HA ILE1122 HA ILE1122 7.463 -2.153 -6.088 126 HB ILE1122 HB ILE1122 5.037 -2.170 -6.081 127 HG12 ILE1122 HG12 ILE1122 5.191 -1.607 -3.116 128 HG13 ILE1122 HG11 ILE1122 4.803 -0.389 -4.328 129 HG21 ILE1122 HG21 ILE1122 6.180 -4.236 -5.514 130 HG22 ILE1122 HG22 ILE1122 4.669 -4.103 -4.616 131 HG23 ILE1122 HG23 ILE1122 6.203 -3.774 -3.812 132 HD11 ILE1122 HD11 ILE1122 2.845 -1.687 -4.990 133 HD12 ILE1122 HD12 ILE1122 2.797 -1.238 -3.285 134 HD13 ILE1122 HD13 ILE1122 3.228 -2.883 -3.754 135 H SER1123 HN SER1123 5.938 -0.705 -7.464 136 HA SER1123 HA SER1123 6.765 2.009 -7.223 137 HB2 SER1123 HB2 SER1123 6.335 1.171 -9.429 138 HB3 SER1123 HB1 SER1123 4.712 0.650 -8.982 139 HG SER1123 HG SER1123 4.141 2.540 -9.705 140 H LYS1124 HN LYS1124 5.671 3.774 -6.480 141 HA LYS1124 HA LYS1124 3.575 3.415 -4.611 142 HB2 LYS1124 HB2 LYS1124 4.758 5.867 -5.899 143 HB3 LYS1124 HB1 LYS1124 3.431 5.961 -4.749 144 HG2 LYS1124 HG2 LYS1124 4.802 4.910 -3.045 145 HG3 LYS1124 HG1 LYS1124 6.129 4.745 -4.198 146 HD2 LYS1124 HD2 LYS1124 6.310 7.153 -4.384 147 HD3 LYS1124 HD1 LYS1124 4.908 7.365 -3.331 148 HE2 LYS1124 HE2 LYS1124 6.102 6.363 -1.483 149 HE3 LYS1124 HE1 LYS1124 7.482 6.020 -2.523 150 HZ1 LYS1124 HZ1 LYS1124 6.478 8.753 -1.964 151 HZ2 LYS1124 HZ2 LYS1124 7.911 8.333 -2.765 152 HZ3 LYS1124 HZ3 LYS1124 7.740 8.019 -1.113 153 H ASN1125 HN ASN1125 3.556 3.614 -7.999 154 HA ASN1125 HA ASN1125 0.878 4.696 -8.206 155 HB2 ASN1125 HB2 ASN1125 2.659 3.401 -10.279 156 HB3 ASN1125 HB1 ASN1125 1.091 4.121 -10.622 157 HD21 ASN1125 HD21 ASN1125 0.869 6.353 -10.582 158 HD22 ASN1125 HD22 ASN1125 2.237 7.413 -10.586 159 H TRP1126 HN TRP1126 2.191 1.731 -7.398 160 HA TRP1126 HA TRP1126 -0.016 0.160 -8.501 161 HB2 TRP1126 HB2 TRP1126 2.399 -0.666 -6.873 162 HB3 TRP1126 HB1 TRP1126 1.192 -1.771 -7.510 163 HD1 TRP1126 HD1 TRP1126 1.549 0.492 -10.258 164 HE1 TRP1126 HE1 TRP1126 3.325 -0.294 -11.952 165 HE3 TRP1126 HE3 TRP1126 3.928 -2.997 -7.384 166 HZ2 TRP1126 HZ2 TRP1126 5.445 -2.153 -12.054 167 HZ3 TRP1126 HZ3 TRP1126 5.817 -4.237 -8.351 168 HH2 TRP1126 HH2 TRP1126 6.557 -3.824 -10.640 169 H VAL1127 HN VAL1127 0.774 1.874 -5.724 170 HA VAL1127 HA VAL1127 -0.358 0.249 -3.708 171 HB VAL1127 HB VAL1127 -0.014 3.258 -3.773 172 HG11 VAL1127 HG11 VAL1127 -1.595 2.591 -2.050 173 HG12 VAL1127 HG12 VAL1127 -0.078 3.123 -1.324 174 HG13 VAL1127 HG13 VAL1127 -0.448 1.403 -1.434 175 HG21 VAL1127 HG21 VAL1127 2.053 2.856 -2.551 176 HG22 VAL1127 HG22 VAL1127 2.079 2.039 -4.113 177 HG23 VAL1127 HG23 VAL1127 1.781 1.116 -2.641 178 H CYS1128 HN CYS1128 -2.378 -0.302 -3.451 179 HA CYS1128 HA CYS1128 -4.645 -0.298 -3.409 180 HB2 CYS1128 HB2 CYS1128 -4.297 1.751 -2.053 181 HB3 CYS1128 HB1 CYS1128 -4.378 2.713 -3.519 182 H ASP1129 HN ASP1129 -3.679 -0.922 -5.773 183 HA ASP1129 HA ASP1129 -5.345 0.556 -7.710 184 HB2 ASP1129 HB2 ASP1129 -3.865 -0.058 -9.442 185 HB3 ASP1129 HB1 ASP1129 -2.812 0.359 -8.099 186 H THR1130 HN THR1130 -6.079 -1.513 -5.769 187 HA THR1130 HA THR1130 -7.467 -3.248 -5.525 188 HB THR1130 HB THR1130 -9.092 -3.800 -7.265 189 HG1 THR1130 HG1 THR1130 -7.245 -2.721 -8.914 190 HG21 THR1130 HG21 THR1130 -10.144 -1.591 -7.438 191 HG22 THR1130 HG22 THR1130 -8.633 -0.836 -6.930 192 HG23 THR1130 HG23 THR1130 -9.511 -1.891 -5.821 193 H ASP1131 HN ASP1131 -4.697 -3.683 -6.575 194 HA ASP1131 HA ASP1131 -5.064 -6.561 -6.833 195 HB2 ASP1131 HB2 ASP1131 -4.768 -5.567 -9.141 196 HB3 ASP1131 HB1 ASP1131 -3.159 -5.068 -8.642 197 H ASN1132 HN ASN1132 -3.852 -7.459 -5.262 198 HA ASN1132 HA ASN1132 -2.032 -5.914 -3.742 199 HB2 ASN1132 HB2 ASN1132 -1.497 -8.017 -2.558 200 HB3 ASN1132 HB1 ASN1132 -3.228 -7.750 -2.697 201 HD21 ASN1132 HD21 ASN1132 -1.638 -10.195 -2.279 202 HD22 ASN1132 HD22 ASN1132 -2.122 -11.278 -3.538 203 H ASP1133 HN ASP1133 -0.001 -5.393 -4.136 204 HA ASP1133 HA ASP1133 1.446 -6.917 -6.197 205 HB2 ASP1133 HB2 ASP1133 1.804 -4.119 -5.159 206 HB3 ASP1133 HB1 ASP1133 3.006 -4.907 -6.170 207 H CYS1134 HN CYS1134 1.529 -5.905 -2.888 208 HA CYS1134 HA CYS1134 4.255 -6.730 -2.461 209 HB2 CYS1134 HB2 CYS1134 2.147 -6.138 -0.384 210 HB3 CYS1134 HB1 CYS1134 3.895 -6.073 -0.187 211 H GLY1135 HN GLY1135 1.586 -8.485 -3.043 212 HA2 GLY1135 HA2 GLY1135 1.219 -10.764 -2.783 213 HA3 GLY1135 HA1 GLY1135 2.591 -10.828 -1.683 214 H ASP1136 HN ASP1136 2.096 -9.357 0.361 215 HA ASP1136 HA ASP1136 -0.081 -10.607 1.722 216 HB2 ASP1136 HB2 ASP1136 0.674 -9.453 3.673 217 HB3 ASP1136 HB1 ASP1136 2.112 -9.931 2.782 218 H GLY1137 HN GLY1137 0.282 -7.807 -0.154 219 HA2 GLY1137 HA2 GLY1137 -1.417 -6.482 -1.010 220 HA3 GLY1137 HA1 GLY1137 -2.533 -7.236 0.119 221 H SER1138 HN SER1138 0.425 -5.919 1.332 222 HA SER1138 HA SER1138 -0.953 -4.208 3.096 223 HB2 SER1138 HB2 SER1138 1.427 -3.293 3.502 224 HB3 SER1138 HB1 SER1138 1.094 -4.976 3.902 225 HG SER1138 HG SER1138 2.190 -5.647 2.133 226 H ASP1139 HN ASP1139 0.350 -3.729 -0.086 227 HA ASP1139 HA ASP1139 0.312 -0.876 -0.018 228 HB2 ASP1139 HB2 ASP1139 0.639 -0.962 -2.393 229 HB3 ASP1139 HB1 ASP1139 1.618 -2.231 -1.678 230 H GLU1140 HN GLU1140 -2.062 -3.325 -0.408 231 HA GLU1140 HA GLU1140 -4.023 -1.463 -1.493 232 HB2 GLU1140 HB2 GLU1140 -4.264 -4.385 -0.739 233 HB3 GLU1140 HB1 GLU1140 -5.535 -3.427 -1.484 234 HG2 GLU1140 HG2 GLU1140 -2.857 -4.028 -2.725 235 HG3 GLU1140 HG1 GLU1140 -4.363 -4.867 -3.088 236 H LYS1141 HN LYS1141 -3.125 -3.006 1.520 237 HA LYS1141 HA LYS1141 -5.562 -2.464 2.894 238 HB2 LYS1141 HB2 LYS1141 -4.552 -3.333 4.805 239 HB3 LYS1141 HB1 LYS1141 -3.710 -4.170 3.511 240 HG2 LYS1141 HG2 LYS1141 -1.848 -2.569 3.726 241 HG3 LYS1141 HG1 LYS1141 -2.695 -1.800 5.066 242 HD2 LYS1141 HD2 LYS1141 -2.639 -3.941 6.290 243 HD3 LYS1141 HD1 LYS1141 -1.710 -4.647 4.964 244 HE2 LYS1141 HE2 LYS1141 -0.180 -3.995 6.677 245 HE3 LYS1141 HE1 LYS1141 0.012 -2.893 5.322 246 HZ1 LYS1141 HZ1 LYS1141 0.015 -1.648 7.337 247 HZ2 LYS1141 HZ2 LYS1141 -1.425 -2.356 7.859 248 HZ3 LYS1141 HZ3 LYS1141 -1.434 -1.310 6.531 249 H ASN1142 HN ASN1142 -2.626 -0.686 2.332 250 HA ASN1142 HA ASN1142 -3.378 1.415 4.193 251 HB2 ASN1142 HB2 ASN1142 -1.008 0.839 4.000 252 HB3 ASN1142 HB1 ASN1142 -1.043 1.194 2.276 253 HD21 ASN1142 HD21 ASN1142 0.558 2.727 2.470 254 HD22 ASN1142 HD22 ASN1142 0.271 4.282 3.169 255 H CYS1143 HN CYS1143 -5.395 1.804 3.107 256 HA CYS1143 HA CYS1143 -5.318 3.955 1.275 257 HB2 CYS1143 HB2 CYS1143 -4.830 2.117 -0.296 258 HB3 CYS1143 HB1 CYS1143 -6.294 1.290 0.213 259 H ASN1144 HN ASN1144 -7.369 4.936 1.111 260 HA ASN1144 HA ASN1144 -9.395 3.738 2.871 261 HB2 ASN1144 HB2 ASN1144 -10.095 6.034 3.470 262 HB3 ASN1144 HB1 ASN1144 -8.442 5.684 3.944 263 HD21 ASN1144 HD21 ASN1144 -9.853 8.220 3.434 264 HD22 ASN1144 HD22 ASN1144 -8.894 9.051 2.259 265 H SER1145 HN SER1145 -10.392 2.703 1.112 266 HA SER1145 HA SER1145 -12.376 4.412 -0.122 267 HB2 SER1145 HB2 SER1145 -11.959 3.092 -2.344 268 HB3 SER1145 HB1 SER1145 -10.960 4.492 -1.966 269 HG SER1145 HG SER1145 -10.316 1.739 -1.762 270 H THR1146 HN THR1146 -14.281 3.312 -0.687 271 HA THR1146 HA THR1146 -14.583 0.783 0.722 272 HB THR1146 HB THR1146 -17.049 1.183 0.250 273 HG1 THR1146 HG1 THR1146 -17.195 2.666 -1.316 274 HG21 THR1146 HG21 THR1146 -15.530 3.268 1.824 275 HG22 THR1146 HG22 THR1146 -16.032 1.683 2.412 276 HG23 THR1146 HG23 THR1146 -17.245 2.895 2.000 277 H GLU1147 HN GLU1147 -13.098 0.409 -1.540 278 HA GLU1147 HA GLU1147 -14.749 -0.271 -3.792 279 HB2 GLU1147 HB2 GLU1147 -12.761 -0.927 -4.896 280 HB3 GLU1147 HB1 GLU1147 -12.324 0.468 -3.925 281 HG2 GLU1147 HG2 GLU1147 -11.780 -2.411 -3.229 282 HG3 GLU1147 HG1 GLU1147 -10.607 -1.254 -3.854 283 H THR1148 HN THR1148 -13.979 -1.735 -0.900 284 HA THR1148 HA THR1148 -14.427 -3.731 0.040 285 HB THR1148 HB THR1148 -15.803 -4.554 -2.520 286 HG1 THR1148 HG1 THR1148 -16.705 -2.585 -1.915 287 HG21 THR1148 HG21 THR1148 -16.238 -5.311 0.375 288 HG22 THR1148 HG22 THR1148 -15.507 -6.330 -0.862 289 HG23 THR1148 HG23 THR1148 -17.205 -5.875 -0.986 Start of MODEL 2 1 H1 THR1103 HT1 THR1103 10.248 12.556 11.934 2 H2 THR1103 HT2 THR1103 10.323 13.741 13.137 3 H3 THR1103 HT3 THR1103 11.059 12.241 13.382 4 HA THR1103 HA THR1103 11.849 14.241 11.361 5 HB THR1103 HB THR1103 13.981 14.272 12.748 6 HG1 THR1103 HG1 THR1103 13.806 13.560 14.882 7 HG21 THR1103 HG21 THR1103 11.428 15.343 13.950 8 HG22 THR1103 HG22 THR1103 12.451 16.147 12.762 9 HG23 THR1103 HG23 THR1103 13.051 15.866 14.396 10 H HIS1104 HN HIS1104 13.255 13.577 9.850 11 HA HIS1104 HA HIS1104 14.516 12.235 8.536 12 HB2 HIS1104 HB2 HIS1104 15.924 12.052 10.607 13 HB3 HIS1104 HB1 HIS1104 15.046 10.584 11.014 14 HD1 HIS1104 HD1 HIS1104 15.800 8.436 9.911 15 HD2 HIS1104 HD2 HIS1104 17.557 11.819 8.246 16 HE1 HIS1104 HE1 HIS1104 17.580 7.580 8.361 17 HE2 HIS1104 HE2 HIS1104 18.716 9.642 7.470 18 H ALA1105 HN ALA1105 12.412 11.697 7.607 19 HA ALA1105 HA ALA1105 11.058 9.298 8.191 20 HB1 ALA1105 HB1 ALA1105 10.051 9.553 5.972 21 HB2 ALA1105 HB2 ALA1105 11.236 10.799 5.578 22 HB3 ALA1105 HB3 ALA1105 10.053 11.078 6.855 23 HA PRO1106 HA PRO1106 14.042 6.335 6.782 24 HB2 PRO1106 HB2 PRO1106 11.736 4.581 6.279 25 HB3 PRO1106 HB1 PRO1106 13.112 4.341 7.354 26 HG2 PRO1106 HG2 PRO1106 10.657 4.888 8.299 27 HG3 PRO1106 HG1 PRO1106 12.124 5.482 9.095 28 HD2 PRO1106 HD2 PRO1106 10.195 6.936 7.343 29 HD3 PRO1106 HD1 PRO1106 11.071 7.504 8.779 30 H ALA1107 HN ALA1107 14.939 6.394 4.861 31 HA ALA1107 HA ALA1107 13.324 6.824 2.478 32 HB1 ALA1107 HB1 ALA1107 15.467 7.255 1.370 33 HB2 ALA1107 HB2 ALA1107 16.319 6.811 2.849 34 HB3 ALA1107 HB3 ALA1107 15.280 8.235 2.823 35 H SER1108 HN SER1108 12.706 4.417 3.292 36 HA SER1108 HA SER1108 14.456 2.389 2.261 37 HB2 SER1108 HB2 SER1108 12.376 0.936 2.745 38 HB3 SER1108 HB1 SER1108 13.211 1.677 4.108 39 HG SER1108 HG SER1108 10.762 2.421 2.900 40 H CYS1109 HN CYS1109 14.052 1.042 0.486 41 HA CYS1109 HA CYS1109 13.627 0.655 -1.702 42 HB2 CYS1109 HB2 CYS1109 11.003 1.992 -1.058 43 HB3 CYS1109 HB1 CYS1109 11.322 0.996 -2.473 44 H LEU1110 HN LEU1110 12.386 2.032 -3.695 45 HA LEU1110 HA LEU1110 14.217 4.122 -4.256 46 HB2 LEU1110 HB2 LEU1110 12.686 2.501 -5.739 47 HB3 LEU1110 HB1 LEU1110 11.657 3.910 -5.737 48 HG LEU1110 HG LEU1110 13.499 5.239 -6.707 49 HD11 LEU1110 HD11 LEU1110 14.908 2.577 -6.816 50 HD12 LEU1110 HD12 LEU1110 15.397 3.988 -5.877 51 HD13 LEU1110 HD13 LEU1110 15.439 4.043 -7.638 52 HD21 LEU1110 HD21 LEU1110 12.761 2.741 -8.231 53 HD22 LEU1110 HD22 LEU1110 13.357 4.245 -8.937 54 HD23 LEU1110 HD23 LEU1110 11.792 4.211 -8.122 55 H ASP1111 HN ASP1111 13.547 6.370 -4.855 56 HA ASP1111 HA ASP1111 12.113 7.657 -2.812 57 HB2 ASP1111 HB2 ASP1111 13.718 8.922 -4.050 58 HB3 ASP1111 HB1 ASP1111 12.914 8.573 -5.574 59 H THR1112 HN THR1112 11.162 6.668 -6.072 60 HA THR1112 HA THR1112 8.427 7.536 -5.559 61 HB THR1112 HB THR1112 8.055 6.766 -7.945 62 HG1 THR1112 HG1 THR1112 10.798 6.912 -8.405 63 HG21 THR1112 HG21 THR1112 9.155 8.733 -8.914 64 HG22 THR1112 HG22 THR1112 10.146 8.893 -7.464 65 HG23 THR1112 HG23 THR1112 8.400 9.120 -7.368 66 H GLN1113 HN GLN1113 10.076 4.912 -4.647 67 HA GLN1113 HA GLN1113 7.916 3.045 -5.270 68 HB2 GLN1113 HB2 GLN1113 10.711 2.681 -4.264 69 HB3 GLN1113 HB1 GLN1113 9.509 1.421 -4.042 70 HG2 GLN1113 HG2 GLN1113 9.119 1.498 -6.507 71 HG3 GLN1113 HG1 GLN1113 10.521 2.551 -6.629 72 HE21 GLN1113 HE21 GLN1113 10.129 -0.085 -7.760 73 HE22 GLN1113 HE22 GLN1113 11.394 -1.077 -7.128 74 H TYR1114 HN TYR1114 7.018 1.751 -3.656 75 HA TYR1114 HA TYR1114 6.714 3.158 -1.096 76 HB2 TYR1114 HB2 TYR1114 4.647 2.737 -2.375 77 HB3 TYR1114 HB1 TYR1114 5.016 1.021 -2.377 78 HD1 TYR1114 HD1 TYR1114 4.506 3.803 0.063 79 HD2 TYR1114 HD2 TYR1114 3.991 -0.328 -0.817 80 HE1 TYR1114 HE1 TYR1114 3.247 3.518 2.157 81 HE2 TYR1114 HE2 TYR1114 2.731 -0.627 1.279 82 HH TYR1114 HH TYR1114 1.579 1.993 3.108 83 H THR1115 HN THR1115 6.873 2.041 0.821 84 HA THR1115 HA THR1115 8.341 -0.503 0.684 85 HB THR1115 HB THR1115 8.221 1.321 3.085 86 HG1 THR1115 HG1 THR1115 9.547 1.673 0.712 87 HG21 THR1115 HG21 THR1115 10.237 -0.752 2.209 88 HG22 THR1115 HG22 THR1115 8.989 -1.001 3.430 89 HG23 THR1115 HG23 THR1115 10.275 0.172 3.711 90 H CYS1116 HN CYS1116 6.845 -2.072 0.809 91 HA CYS1116 HA CYS1116 4.378 -1.869 2.144 92 HB2 CYS1116 HB2 CYS1116 5.973 -4.174 1.084 93 HB3 CYS1116 HB1 CYS1116 4.476 -4.448 1.970 94 H ASP1117 HN ASP1117 3.669 -3.453 3.865 95 HA ASP1117 HA ASP1117 5.003 -3.009 6.275 96 HB2 ASP1117 HB2 ASP1117 2.631 -3.639 6.143 97 HB3 ASP1117 HB1 ASP1117 3.081 -5.240 5.562 98 H ASN1118 HN ASN1118 5.036 -5.815 4.126 99 HA ASN1118 HA ASN1118 7.064 -7.160 5.675 100 HB2 ASN1118 HB2 ASN1118 5.256 -8.387 4.495 101 HB3 ASN1118 HB1 ASN1118 5.947 -7.855 2.974 102 HD21 ASN1118 HD21 ASN1118 6.112 -10.063 2.415 103 HD22 ASN1118 HD22 ASN1118 7.431 -11.018 3.009 104 H HIS1119 HN HIS1119 7.419 -4.496 4.230 105 HA HIS1119 HA HIS1119 9.145 -3.317 3.388 106 HB2 HIS1119 HB2 HIS1119 10.660 -5.813 4.130 107 HB3 HIS1119 HB1 HIS1119 11.441 -4.358 3.523 108 HD1 HIS1119 HD1 HIS1119 10.300 -5.924 6.588 109 HD2 HIS1119 HD2 HIS1119 10.962 -2.040 5.273 110 HE1 HIS1119 HE1 HIS1119 10.445 -4.524 8.668 111 HE2 HIS1119 HE2 HIS1119 10.964 -2.197 7.854 112 H GLN1120 HN GLN1120 7.567 -5.186 1.638 113 HA GLN1120 HA GLN1120 9.332 -5.765 -0.553 114 HB2 GLN1120 HB2 GLN1120 7.312 -7.098 -0.205 115 HB3 GLN1120 HB1 GLN1120 6.310 -5.668 -0.382 116 HG2 GLN1120 HG2 GLN1120 6.250 -7.031 -2.383 117 HG3 GLN1120 HG1 GLN1120 6.985 -5.466 -2.713 118 HE21 GLN1120 HE21 GLN1120 9.095 -5.367 -3.363 119 HE22 GLN1120 HE22 GLN1120 10.050 -6.764 -3.717 120 H CYS1121 HN CYS1121 10.083 -4.309 -1.931 121 HA CYS1121 HA CYS1121 8.975 -1.644 -2.011 122 HB2 CYS1121 HB2 CYS1121 11.264 -2.863 -3.568 123 HB3 CYS1121 HB1 CYS1121 10.854 -1.152 -3.523 124 H ILE1122 HN ILE1122 7.447 -1.013 -3.344 125 HA ILE1122 HA ILE1122 7.308 -2.155 -6.049 126 HB ILE1122 HB ILE1122 4.859 -2.081 -6.009 127 HG12 ILE1122 HG12 ILE1122 5.134 -1.562 -3.046 128 HG13 ILE1122 HG11 ILE1122 4.656 -0.354 -4.233 129 HG21 ILE1122 HG21 ILE1122 5.920 -4.198 -5.545 130 HG22 ILE1122 HG22 ILE1122 4.466 -4.037 -4.563 131 HG23 ILE1122 HG23 ILE1122 6.053 -3.792 -3.836 132 HD11 ILE1122 HD11 ILE1122 3.165 -2.893 -3.644 133 HD12 ILE1122 HD12 ILE1122 2.670 -1.619 -4.758 134 HD13 ILE1122 HD13 ILE1122 2.748 -1.294 -3.022 135 H SER1123 HN SER1123 5.796 -0.667 -7.420 136 HA SER1123 HA SER1123 6.721 2.015 -7.208 137 HB2 SER1123 HB2 SER1123 6.199 1.138 -9.394 138 HB3 SER1123 HB1 SER1123 4.556 0.739 -8.898 139 HG SER1123 HG SER1123 4.024 2.663 -9.507 140 H LYS1124 HN LYS1124 5.749 3.806 -6.329 141 HA LYS1124 HA LYS1124 3.659 3.526 -4.449 142 HB2 LYS1124 HB2 LYS1124 4.840 5.951 -5.796 143 HB3 LYS1124 HB1 LYS1124 3.547 6.073 -4.615 144 HG2 LYS1124 HG2 LYS1124 4.985 4.994 -2.945 145 HG3 LYS1124 HG1 LYS1124 6.287 4.919 -4.136 146 HD2 LYS1124 HD2 LYS1124 6.255 7.363 -4.317 147 HD3 LYS1124 HD1 LYS1124 4.960 7.434 -3.123 148 HE2 LYS1124 HE2 LYS1124 7.714 6.311 -2.630 149 HE3 LYS1124 HE1 LYS1124 7.188 7.929 -2.176 150 HZ1 LYS1124 HZ1 LYS1124 7.041 6.471 -0.297 151 HZ2 LYS1124 HZ2 LYS1124 6.090 5.370 -1.153 152 HZ3 LYS1124 HZ3 LYS1124 5.475 6.895 -0.774 153 H ASN1125 HN ASN1125 3.681 4.011 -7.851 154 HA ASN1125 HA ASN1125 0.987 4.995 -8.041 155 HB2 ASN1125 HB2 ASN1125 2.799 3.827 -10.172 156 HB3 ASN1125 HB1 ASN1125 1.263 4.627 -10.476 157 HD21 ASN1125 HD21 ASN1125 2.195 6.203 -11.742 158 HD22 ASN1125 HD22 ASN1125 3.182 7.464 -11.088 159 H TRP1126 HN TRP1126 2.328 2.036 -7.348 160 HA TRP1126 HA TRP1126 0.134 0.493 -8.526 161 HB2 TRP1126 HB2 TRP1126 2.743 -0.311 -7.245 162 HB3 TRP1126 HB1 TRP1126 1.473 -1.467 -7.612 163 HD1 TRP1126 HD1 TRP1126 1.123 0.634 -10.431 164 HE1 TRP1126 HE1 TRP1126 2.566 -0.105 -12.425 165 HE3 TRP1126 HE3 TRP1126 4.358 -2.479 -7.983 166 HZ2 TRP1126 HZ2 TRP1126 4.778 -1.790 -12.902 167 HZ3 TRP1126 HZ3 TRP1126 6.108 -3.619 -9.283 168 HH2 TRP1126 HH2 TRP1126 6.312 -3.281 -11.693 169 H VAL1127 HN VAL1127 0.748 2.163 -5.781 170 HA VAL1127 HA VAL1127 -0.175 0.316 -3.811 171 HB VAL1127 HB VAL1127 0.010 3.334 -3.699 172 HG11 VAL1127 HG11 VAL1127 -1.580 2.508 -2.049 173 HG12 VAL1127 HG12 VAL1127 -0.104 3.065 -1.261 174 HG13 VAL1127 HG13 VAL1127 -0.394 1.338 -1.473 175 HG21 VAL1127 HG21 VAL1127 2.064 2.948 -2.448 176 HG22 VAL1127 HG22 VAL1127 2.158 2.217 -4.050 177 HG23 VAL1127 HG23 VAL1127 1.863 1.205 -2.637 178 H CYS1128 HN CYS1128 -2.140 -0.329 -3.452 179 HA CYS1128 HA CYS1128 -4.404 -0.444 -3.311 180 HB2 CYS1128 HB2 CYS1128 -3.939 1.841 -2.185 181 HB3 CYS1128 HB1 CYS1128 -4.600 2.517 -3.662 182 H ASP1129 HN ASP1129 -3.464 -1.081 -5.705 183 HA ASP1129 HA ASP1129 -5.188 0.325 -7.651 184 HB2 ASP1129 HB2 ASP1129 -3.575 -0.008 -9.339 185 HB3 ASP1129 HB1 ASP1129 -2.644 0.497 -7.934 186 H THR1130 HN THR1130 -5.436 -2.117 -5.834 187 HA THR1130 HA THR1130 -6.446 -4.107 -5.782 188 HB THR1130 HB THR1130 -8.129 -4.704 -7.425 189 HG1 THR1130 HG1 THR1130 -6.777 -2.834 -9.014 190 HG21 THR1130 HG21 THR1130 -8.675 -3.016 -5.751 191 HG22 THR1130 HG22 THR1130 -9.533 -2.710 -7.262 192 HG23 THR1130 HG23 THR1130 -8.118 -1.745 -6.839 193 H ASP1131 HN ASP1131 -3.735 -3.894 -6.928 194 HA ASP1131 HA ASP1131 -3.711 -6.656 -7.945 195 HB2 ASP1131 HB2 ASP1131 -3.085 -5.067 -9.750 196 HB3 ASP1131 HB1 ASP1131 -1.765 -4.480 -8.746 197 H ASN1132 HN ASN1132 -2.274 -8.014 -6.966 198 HA ASN1132 HA ASN1132 -1.127 -7.049 -4.493 199 HB2 ASN1132 HB2 ASN1132 -1.616 -9.753 -5.658 200 HB3 ASN1132 HB1 ASN1132 -0.430 -9.583 -4.367 201 HD21 ASN1132 HD21 ASN1132 -3.785 -9.410 -5.216 202 HD22 ASN1132 HD22 ASN1132 -4.396 -9.301 -3.603 203 H ASP1133 HN ASP1133 0.185 -5.898 -6.596 204 HA ASP1133 HA ASP1133 2.667 -6.877 -7.301 205 HB2 ASP1133 HB2 ASP1133 3.346 -4.343 -6.680 206 HB3 ASP1133 HB1 ASP1133 2.399 -4.741 -8.118 207 H CYS1134 HN CYS1134 1.636 -5.418 -4.291 208 HA CYS1134 HA CYS1134 4.077 -5.486 -2.918 209 HB2 CYS1134 HB2 CYS1134 2.164 -4.122 -2.252 210 HB3 CYS1134 HB1 CYS1134 1.237 -5.570 -1.888 211 H GLY1135 HN GLY1135 2.028 -8.055 -3.817 212 HA2 GLY1135 HA2 GLY1135 2.294 -10.323 -3.466 213 HA3 GLY1135 HA1 GLY1135 3.644 -9.963 -2.400 214 H ASP1136 HN ASP1136 2.934 -8.862 -0.294 215 HA ASP1136 HA ASP1136 1.012 -10.557 0.998 216 HB2 ASP1136 HB2 ASP1136 2.560 -8.192 2.028 217 HB3 ASP1136 HB1 ASP1136 1.570 -9.244 3.029 218 H GLY1137 HN GLY1137 0.952 -7.573 -0.590 219 HA2 GLY1137 HA2 GLY1137 -0.888 -6.374 -1.283 220 HA3 GLY1137 HA1 GLY1137 -1.896 -7.466 -0.351 221 H SER1138 HN SER1138 0.740 -5.730 1.175 222 HA SER1138 HA SER1138 -1.114 -4.522 2.981 223 HB2 SER1138 HB2 SER1138 0.914 -3.442 3.971 224 HB3 SER1138 HB1 SER1138 1.017 -5.193 3.864 225 HG SER1138 HG SER1138 2.010 -3.753 1.705 226 H ASP1139 HN ASP1139 0.284 -3.588 -0.004 227 HA ASP1139 HA ASP1139 0.032 -0.758 0.316 228 HB2 ASP1139 HB2 ASP1139 0.557 -0.589 -1.970 229 HB3 ASP1139 HB1 ASP1139 1.426 -2.023 -1.440 230 H GLU1140 HN GLU1140 -2.052 -3.374 -0.564 231 HA GLU1140 HA GLU1140 -4.171 -1.673 -1.564 232 HB2 GLU1140 HB2 GLU1140 -4.141 -4.642 -0.962 233 HB3 GLU1140 HB1 GLU1140 -5.411 -3.782 -1.817 234 HG2 GLU1140 HG2 GLU1140 -2.570 -4.046 -2.762 235 HG3 GLU1140 HG1 GLU1140 -3.917 -5.045 -3.304 236 H LYS1141 HN LYS1141 -3.115 -2.879 1.452 237 HA LYS1141 HA LYS1141 -5.786 -2.842 2.619 238 HB2 LYS1141 HB2 LYS1141 -4.948 -4.053 4.403 239 HB3 LYS1141 HB1 LYS1141 -3.942 -4.623 3.089 240 HG2 LYS1141 HG2 LYS1141 -2.152 -3.110 3.816 241 HG3 LYS1141 HG1 LYS1141 -3.170 -2.561 5.146 242 HD2 LYS1141 HD2 LYS1141 -3.249 -4.864 6.005 243 HD3 LYS1141 HD1 LYS1141 -2.182 -5.371 4.694 244 HE2 LYS1141 HE2 LYS1141 -0.911 -5.047 6.718 245 HE3 LYS1141 HE1 LYS1141 -0.456 -3.844 5.522 246 HZ1 LYS1141 HZ1 LYS1141 -2.353 -3.363 7.760 247 HZ2 LYS1141 HZ2 LYS1141 -1.772 -2.213 6.659 248 HZ3 LYS1141 HZ3 LYS1141 -0.716 -2.924 7.767 249 H ASN1142 HN ASN1142 -2.842 -1.007 2.561 250 HA ASN1142 HA ASN1142 -3.996 0.873 4.513 251 HB2 ASN1142 HB2 ASN1142 -1.825 -0.231 5.161 252 HB3 ASN1142 HB1 ASN1142 -1.072 0.583 3.793 253 HD21 ASN1142 HD21 ASN1142 -0.841 2.839 3.847 254 HD22 ASN1142 HD22 ASN1142 -0.910 3.718 5.334 255 H CYS1143 HN CYS1143 -5.202 1.637 2.593 256 HA CYS1143 HA CYS1143 -3.703 3.792 1.350 257 HB2 CYS1143 HB2 CYS1143 -4.719 3.278 -0.841 258 HB3 CYS1143 HB1 CYS1143 -3.687 1.987 -0.260 259 H ASN1144 HN ASN1144 -6.996 2.428 1.165 260 HA ASN1144 HA ASN1144 -8.050 4.549 2.814 261 HB2 ASN1144 HB2 ASN1144 -9.623 5.444 1.223 262 HB3 ASN1144 HB1 ASN1144 -8.020 5.556 0.511 263 HD21 ASN1144 HD21 ASN1144 -10.627 5.548 -0.761 264 HD22 ASN1144 HD22 ASN1144 -10.621 4.226 -1.875 265 H SER1145 HN SER1145 -7.757 1.571 2.468 266 HA SER1145 HA SER1145 -10.558 0.721 2.375 267 HB2 SER1145 HB2 SER1145 -9.413 -1.570 2.078 268 HB3 SER1145 HB1 SER1145 -9.294 -0.427 0.737 269 HG SER1145 HG SER1145 -7.247 -1.249 1.145 270 H THR1146 HN THR1146 -11.326 -0.778 3.937 271 HA THR1146 HA THR1146 -10.084 -0.559 6.551 272 HB THR1146 HB THR1146 -12.157 -2.210 6.988 273 HG1 THR1146 HG1 THR1146 -13.270 -0.603 4.967 274 HG21 THR1146 HG21 THR1146 -13.502 -0.210 7.494 275 HG22 THR1146 HG22 THR1146 -12.360 0.776 6.582 276 HG23 THR1146 HG23 THR1146 -11.839 -0.042 8.053 277 H GLU1147 HN GLU1147 -8.213 -1.737 6.420 278 HA GLU1147 HA GLU1147 -8.049 -4.342 5.329 279 HB2 GLU1147 HB2 GLU1147 -5.861 -4.461 6.413 280 HB3 GLU1147 HB1 GLU1147 -6.076 -2.916 5.606 281 HG2 GLU1147 HG2 GLU1147 -6.506 -1.827 7.713 282 HG3 GLU1147 HG1 GLU1147 -6.439 -3.372 8.558 283 H THR1148 HN THR1148 -8.754 -3.088 8.518 284 HA THR1148 HA THR1148 -9.501 -4.031 10.443 285 HB THR1148 HB THR1148 -10.262 -6.368 8.683 286 HG1 THR1148 HG1 THR1148 -11.579 -3.933 9.344 287 HG21 THR1148 HG21 THR1148 -11.328 -5.495 11.372 288 HG22 THR1148 HG22 THR1148 -10.309 -6.903 11.078 289 HG23 THR1148 HG23 THR1148 -11.937 -6.838 10.405 Start of MODEL 3 1 H1 THR1103 HT1 THR1103 22.690 -9.965 8.397 2 H2 THR1103 HT2 THR1103 21.518 -11.025 7.796 3 H3 THR1103 HT3 THR1103 21.050 -9.632 8.628 4 HA THR1103 HA THR1103 22.453 -9.708 6.032 5 HB THR1103 HB THR1103 19.611 -8.869 6.644 6 HG1 THR1103 HG1 THR1103 19.331 -10.847 5.157 7 HG21 THR1103 HG21 THR1103 20.643 -7.695 4.743 8 HG22 THR1103 HG22 THR1103 19.356 -8.779 4.219 9 HG23 THR1103 HG23 THR1103 21.042 -9.249 4.010 10 H HIS1104 HN HIS1104 23.774 -8.023 5.908 11 HA HIS1104 HA HIS1104 23.345 -5.660 7.524 12 HB2 HIS1104 HB2 HIS1104 25.533 -6.534 5.653 13 HB3 HIS1104 HB1 HIS1104 25.470 -4.891 6.280 14 HD1 HIS1104 HD1 HIS1104 26.497 -8.310 7.154 15 HD2 HIS1104 HD2 HIS1104 25.767 -4.733 9.145 16 HE1 HIS1104 HE1 HIS1104 27.553 -8.565 9.420 17 HE2 HIS1104 HE2 HIS1104 27.026 -6.424 10.637 18 H ALA1105 HN ALA1105 22.510 -6.708 4.410 19 HA ALA1105 HA ALA1105 22.357 -4.084 3.227 20 HB1 ALA1105 HB1 ALA1105 22.764 -6.058 1.833 21 HB2 ALA1105 HB2 ALA1105 21.293 -5.214 1.346 22 HB3 ALA1105 HB3 ALA1105 21.186 -6.702 2.287 23 HA PRO1106 HA PRO1106 18.385 -3.389 5.175 24 HB2 PRO1106 HB2 PRO1106 18.159 -0.788 4.569 25 HB3 PRO1106 HB1 PRO1106 19.311 -1.355 5.784 26 HG2 PRO1106 HG2 PRO1106 19.793 -0.540 2.950 27 HG3 PRO1106 HG1 PRO1106 20.781 -0.234 4.389 28 HD2 PRO1106 HD2 PRO1106 21.261 -2.235 2.532 29 HD3 PRO1106 HD1 PRO1106 21.869 -2.229 4.197 30 H ALA1107 HN ALA1107 16.262 -3.251 4.476 31 HA ALA1107 HA ALA1107 15.876 -3.565 1.614 32 HB1 ALA1107 HB1 ALA1107 13.616 -4.277 2.190 33 HB2 ALA1107 HB2 ALA1107 13.895 -3.839 3.874 34 HB3 ALA1107 HB3 ALA1107 14.812 -5.155 3.142 35 H SER1108 HN SER1108 16.613 -1.109 1.733 36 HA SER1108 HA SER1108 14.365 0.679 2.150 37 HB2 SER1108 HB2 SER1108 16.076 2.399 1.312 38 HB3 SER1108 HB1 SER1108 16.415 1.611 2.851 39 HG SER1108 HG SER1108 18.248 1.113 1.959 40 H CYS1109 HN CYS1109 13.260 1.747 0.532 41 HA CYS1109 HA CYS1109 13.499 0.456 -2.089 42 HB2 CYS1109 HB2 CYS1109 11.156 2.001 -0.966 43 HB3 CYS1109 HB1 CYS1109 11.178 1.046 -2.443 44 H LEU1110 HN LEU1110 12.539 1.923 -3.881 45 HA LEU1110 HA LEU1110 14.275 4.112 -4.297 46 HB2 LEU1110 HB2 LEU1110 12.712 2.520 -5.843 47 HB3 LEU1110 HB1 LEU1110 11.746 3.973 -5.815 48 HG LEU1110 HG LEU1110 13.683 5.232 -6.717 49 HD11 LEU1110 HD11 LEU1110 15.557 3.987 -7.668 50 HD12 LEU1110 HD12 LEU1110 14.913 2.494 -6.988 51 HD13 LEU1110 HD13 LEU1110 15.475 3.778 -5.919 52 HD21 LEU1110 HD21 LEU1110 12.674 2.858 -8.270 53 HD22 LEU1110 HD22 LEU1110 13.517 4.233 -8.986 54 HD23 LEU1110 HD23 LEU1110 11.956 4.466 -8.197 55 H ASP1111 HN ASP1111 13.471 6.363 -4.812 56 HA ASP1111 HA ASP1111 11.980 7.432 -2.652 57 HB2 ASP1111 HB2 ASP1111 13.674 8.758 -3.803 58 HB3 ASP1111 HB1 ASP1111 12.747 8.686 -5.296 59 H THR1112 HN THR1112 11.171 6.625 -5.986 60 HA THR1112 HA THR1112 8.409 7.444 -5.585 61 HB THR1112 HB THR1112 8.117 6.649 -7.960 62 HG1 THR1112 HG1 THR1112 10.929 6.644 -8.178 63 HG21 THR1112 HG21 THR1112 10.261 8.720 -7.474 64 HG22 THR1112 HG22 THR1112 8.521 9.003 -7.431 65 HG23 THR1112 HG23 THR1112 9.303 8.550 -8.945 66 H GLN1113 HN GLN1113 10.109 4.834 -4.648 67 HA GLN1113 HA GLN1113 7.997 2.929 -5.276 68 HB2 GLN1113 HB2 GLN1113 10.778 2.619 -4.208 69 HB3 GLN1113 HB1 GLN1113 9.595 1.331 -4.051 70 HG2 GLN1113 HG2 GLN1113 9.269 1.453 -6.521 71 HG3 GLN1113 HG1 GLN1113 10.642 2.545 -6.585 72 HE21 GLN1113 HE21 GLN1113 10.343 -0.072 -7.786 73 HE22 GLN1113 HE22 GLN1113 11.631 -1.044 -7.160 74 H TYR1114 HN TYR1114 7.051 1.670 -3.725 75 HA TYR1114 HA TYR1114 6.643 3.054 -1.162 76 HB2 TYR1114 HB2 TYR1114 4.669 2.657 -2.645 77 HB3 TYR1114 HB1 TYR1114 4.975 0.933 -2.519 78 HD1 TYR1114 HD1 TYR1114 4.159 3.917 -0.465 79 HD2 TYR1114 HD2 TYR1114 3.988 -0.321 -0.813 80 HE1 TYR1114 HE1 TYR1114 2.758 3.815 1.550 81 HE2 TYR1114 HE2 TYR1114 2.580 -0.433 1.201 82 HH TYR1114 HH TYR1114 2.120 0.908 3.202 83 H THR1115 HN THR1115 6.655 1.836 0.757 84 HA THR1115 HA THR1115 8.189 -0.666 0.558 85 HB THR1115 HB THR1115 8.131 1.211 2.932 86 HG1 THR1115 HG1 THR1115 10.081 0.950 0.860 87 HG21 THR1115 HG21 THR1115 10.100 -0.045 3.649 88 HG22 THR1115 HG22 THR1115 10.004 -1.051 2.204 89 HG23 THR1115 HG23 THR1115 8.731 -1.135 3.422 90 H CYS1116 HN CYS1116 6.743 -2.250 0.699 91 HA CYS1116 HA CYS1116 4.323 -2.187 2.109 92 HB2 CYS1116 HB2 CYS1116 6.030 -4.538 1.263 93 HB3 CYS1116 HB1 CYS1116 4.395 -4.682 1.904 94 H ASP1117 HN ASP1117 3.730 -3.531 3.991 95 HA ASP1117 HA ASP1117 5.192 -2.862 6.258 96 HB2 ASP1117 HB2 ASP1117 2.848 -3.437 6.412 97 HB3 ASP1117 HB1 ASP1117 3.172 -5.077 5.860 98 H ASN1118 HN ASN1118 5.078 -5.978 4.533 99 HA ASN1118 HA ASN1118 7.182 -7.099 6.158 100 HB2 ASN1118 HB2 ASN1118 5.485 -8.053 3.939 101 HB3 ASN1118 HB1 ASN1118 7.083 -8.780 4.036 102 HD21 ASN1118 HD21 ASN1118 3.960 -8.526 5.479 103 HD22 ASN1118 HD22 ASN1118 4.199 -9.736 6.696 104 H HIS1119 HN HIS1119 7.709 -4.622 4.591 105 HA HIS1119 HA HIS1119 9.421 -3.633 3.501 106 HB2 HIS1119 HB2 HIS1119 10.780 -6.120 4.499 107 HB3 HIS1119 HB1 HIS1119 11.651 -4.922 3.547 108 HD1 HIS1119 HD1 HIS1119 10.957 -5.774 6.937 109 HD2 HIS1119 HD2 HIS1119 11.369 -2.216 4.832 110 HE1 HIS1119 HE1 HIS1119 11.422 -4.013 8.669 111 HE2 HIS1119 HE2 HIS1119 11.513 -1.847 7.387 112 H GLN1120 HN GLN1120 7.850 -4.278 1.641 113 HA GLN1120 HA GLN1120 9.545 -5.543 -0.407 114 HB2 GLN1120 HB2 GLN1120 7.360 -6.742 0.067 115 HB3 GLN1120 HB1 GLN1120 6.534 -5.315 -0.551 116 HG2 GLN1120 HG2 GLN1120 7.751 -5.587 -2.684 117 HG3 GLN1120 HG1 GLN1120 8.444 -7.075 -2.054 118 HE21 GLN1120 HE21 GLN1120 6.803 -6.677 -4.388 119 HE22 GLN1120 HE22 GLN1120 5.401 -7.668 -4.184 120 H CYS1121 HN CYS1121 9.860 -4.402 -2.304 121 HA CYS1121 HA CYS1121 9.014 -1.595 -2.156 122 HB2 CYS1121 HB2 CYS1121 11.364 -2.817 -3.614 123 HB3 CYS1121 HB1 CYS1121 10.979 -1.100 -3.542 124 H ILE1122 HN ILE1122 7.321 -1.209 -3.367 125 HA ILE1122 HA ILE1122 7.332 -2.163 -6.161 126 HB ILE1122 HB ILE1122 4.882 -2.070 -6.152 127 HG12 ILE1122 HG12 ILE1122 5.121 -1.620 -3.172 128 HG13 ILE1122 HG11 ILE1122 4.700 -0.369 -4.338 129 HG21 ILE1122 HG21 ILE1122 4.464 -4.057 -4.764 130 HG22 ILE1122 HG22 ILE1122 6.028 -3.824 -3.985 131 HG23 ILE1122 HG23 ILE1122 5.948 -4.199 -5.705 132 HD11 ILE1122 HD11 ILE1122 2.766 -1.352 -3.144 133 HD12 ILE1122 HD12 ILE1122 3.122 -2.889 -3.938 134 HD13 ILE1122 HD13 ILE1122 2.677 -1.484 -4.901 135 H SER1123 HN SER1123 5.705 -0.584 -7.446 136 HA SER1123 HA SER1123 6.741 2.069 -7.127 137 HB2 SER1123 HB2 SER1123 6.243 1.337 -9.362 138 HB3 SER1123 HB1 SER1123 4.588 0.919 -8.918 139 HG SER1123 HG SER1123 4.068 2.888 -9.391 140 H LYS1124 HN LYS1124 5.718 3.887 -6.337 141 HA LYS1124 HA LYS1124 3.733 3.530 -4.349 142 HB2 LYS1124 HB2 LYS1124 4.954 5.958 -5.630 143 HB3 LYS1124 HB1 LYS1124 3.642 6.106 -4.469 144 HG2 LYS1124 HG2 LYS1124 4.979 4.980 -2.782 145 HG3 LYS1124 HG1 LYS1124 6.288 4.767 -3.947 146 HD2 LYS1124 HD2 LYS1124 6.605 7.148 -4.101 147 HD3 LYS1124 HD1 LYS1124 5.190 7.440 -3.090 148 HE2 LYS1124 HE2 LYS1124 6.303 6.310 -1.220 149 HE3 LYS1124 HE1 LYS1124 7.717 6.037 -2.235 150 HZ1 LYS1124 HZ1 LYS1124 6.655 8.736 -1.627 151 HZ2 LYS1124 HZ2 LYS1124 8.143 8.347 -2.333 152 HZ3 LYS1124 HZ3 LYS1124 7.858 7.983 -0.706 153 H ASN1125 HN ASN1125 3.543 4.024 -7.734 154 HA ASN1125 HA ASN1125 0.842 5.016 -7.738 155 HB2 ASN1125 HB2 ASN1125 2.477 5.388 -9.608 156 HB3 ASN1125 HB1 ASN1125 2.348 3.678 -9.996 157 HD21 ASN1125 HD21 ASN1125 1.503 4.019 -12.022 158 HD22 ASN1125 HD22 ASN1125 -0.096 4.620 -12.281 159 H TRP1126 HN TRP1126 2.273 2.027 -7.163 160 HA TRP1126 HA TRP1126 0.114 0.447 -8.311 161 HB2 TRP1126 HB2 TRP1126 2.663 -0.340 -6.890 162 HB3 TRP1126 HB1 TRP1126 1.464 -1.484 -7.469 163 HD1 TRP1126 HD1 TRP1126 1.593 1.147 -9.988 164 HE1 TRP1126 HE1 TRP1126 3.110 0.489 -11.958 165 HE3 TRP1126 HE3 TRP1126 4.020 -2.815 -7.857 166 HZ2 TRP1126 HZ2 TRP1126 5.078 -1.454 -12.529 167 HZ3 TRP1126 HZ3 TRP1126 5.705 -4.016 -9.180 168 HH2 TRP1126 HH2 TRP1126 6.224 -3.349 -11.471 169 H VAL1127 HN VAL1127 0.605 2.100 -5.539 170 HA VAL1127 HA VAL1127 -0.433 0.301 -3.594 171 HB VAL1127 HB VAL1127 -0.366 3.327 -3.573 172 HG11 VAL1127 HG11 VAL1127 -1.954 2.450 -1.946 173 HG12 VAL1127 HG12 VAL1127 -0.541 3.132 -1.141 174 HG13 VAL1127 HG13 VAL1127 -0.711 1.383 -1.293 175 HG21 VAL1127 HG21 VAL1127 1.665 3.071 -2.228 176 HG22 VAL1127 HG22 VAL1127 1.852 2.367 -3.835 177 HG23 VAL1127 HG23 VAL1127 1.581 1.322 -2.440 178 H CYS1128 HN CYS1128 -2.436 -0.400 -3.422 179 HA CYS1128 HA CYS1128 -4.687 -0.616 -3.608 180 HB2 CYS1128 HB2 CYS1128 -4.682 1.411 -2.179 181 HB3 CYS1128 HB1 CYS1128 -4.677 2.413 -3.622 182 H ASP1129 HN ASP1129 -3.453 -1.081 -5.897 183 HA ASP1129 HA ASP1129 -5.013 0.374 -7.939 184 HB2 ASP1129 HB2 ASP1129 -3.273 0.090 -9.481 185 HB3 ASP1129 HB1 ASP1129 -2.430 0.453 -7.978 186 H THR1130 HN THR1130 -5.323 -2.193 -6.203 187 HA THR1130 HA THR1130 -6.360 -4.175 -6.311 188 HB THR1130 HB THR1130 -7.999 -4.621 -8.076 189 HG1 THR1130 HG1 THR1130 -6.480 -3.092 -9.580 190 HG21 THR1130 HG21 THR1130 -9.430 -2.667 -7.694 191 HG22 THR1130 HG22 THR1130 -8.038 -1.776 -7.080 192 HG23 THR1130 HG23 THR1130 -8.630 -3.192 -6.214 193 H ASP1131 HN ASP1131 -3.642 -3.831 -7.542 194 HA ASP1131 HA ASP1131 -3.656 -6.412 -8.962 195 HB2 ASP1131 HB2 ASP1131 -2.942 -4.539 -10.425 196 HB3 ASP1131 HB1 ASP1131 -1.639 -4.182 -9.296 197 H ASN1132 HN ASN1132 -2.201 -7.944 -8.330 198 HA ASN1132 HA ASN1132 -1.220 -7.653 -5.631 199 HB2 ASN1132 HB2 ASN1132 -2.406 -9.721 -6.489 200 HB3 ASN1132 HB1 ASN1132 -0.954 -10.071 -7.423 201 HD21 ASN1132 HD21 ASN1132 -2.359 -9.906 -4.261 202 HD22 ASN1132 HD22 ASN1132 -1.087 -10.734 -3.428 203 H ASP1133 HN ASP1133 0.225 -5.929 -6.796 204 HA ASP1133 HA ASP1133 2.738 -6.851 -7.774 205 HB2 ASP1133 HB2 ASP1133 3.366 -4.451 -6.719 206 HB3 ASP1133 HB1 ASP1133 2.530 -4.615 -8.262 207 H CYS1134 HN CYS1134 1.765 -5.476 -4.659 208 HA CYS1134 HA CYS1134 4.045 -6.595 -3.307 209 HB2 CYS1134 HB2 CYS1134 3.045 -4.412 -2.684 210 HB3 CYS1134 HB1 CYS1134 1.575 -5.244 -2.195 211 H GLY1135 HN GLY1135 4.157 -8.612 -2.591 212 HA2 GLY1135 HA2 GLY1135 1.872 -10.352 -2.581 213 HA3 GLY1135 HA1 GLY1135 3.505 -10.765 -2.067 214 H ASP1136 HN ASP1136 3.467 -8.352 -0.296 215 HA ASP1136 HA ASP1136 2.385 -9.569 2.054 216 HB2 ASP1136 HB2 ASP1136 4.398 -8.266 2.224 217 HB3 ASP1136 HB1 ASP1136 3.603 -6.866 1.526 218 H GLY1137 HN GLY1137 1.349 -7.193 -0.251 219 HA2 GLY1137 HA2 GLY1137 -0.786 -6.528 -0.763 220 HA3 GLY1137 HA1 GLY1137 -1.372 -7.587 0.506 221 H SER1138 HN SER1138 0.972 -5.332 1.545 222 HA SER1138 HA SER1138 -1.024 -4.033 3.148 223 HB2 SER1138 HB2 SER1138 1.046 -2.708 3.950 224 HB3 SER1138 HB1 SER1138 0.967 -4.429 4.317 225 HG SER1138 HG SER1138 2.655 -4.755 3.133 226 H ASP1139 HN ASP1139 0.392 -3.466 0.118 227 HA ASP1139 HA ASP1139 0.087 -0.622 0.057 228 HB2 ASP1139 HB2 ASP1139 0.581 -0.770 -2.259 229 HB3 ASP1139 HB1 ASP1139 1.540 -2.035 -1.502 230 H GLU1140 HN GLU1140 -1.901 -3.400 -0.710 231 HA GLU1140 HA GLU1140 -4.025 -1.831 -1.848 232 HB2 GLU1140 HB2 GLU1140 -3.911 -4.728 -0.986 233 HB3 GLU1140 HB1 GLU1140 -5.279 -3.994 -1.803 234 HG2 GLU1140 HG2 GLU1140 -2.497 -4.249 -2.928 235 HG3 GLU1140 HG1 GLU1140 -3.869 -5.280 -3.327 236 H LYS1141 HN LYS1141 -3.179 -3.122 1.285 237 HA LYS1141 HA LYS1141 -5.760 -2.674 2.446 238 HB2 LYS1141 HB2 LYS1141 -4.897 -3.525 4.402 239 HB3 LYS1141 HB1 LYS1141 -3.815 -4.260 3.236 240 HG2 LYS1141 HG2 LYS1141 -2.150 -2.521 3.701 241 HG3 LYS1141 HG1 LYS1141 -3.245 -1.800 4.877 242 HD2 LYS1141 HD2 LYS1141 -3.214 -3.945 6.129 243 HD3 LYS1141 HD1 LYS1141 -1.997 -4.538 4.998 244 HE2 LYS1141 HE2 LYS1141 -0.903 -3.730 6.974 245 HE3 LYS1141 HE1 LYS1141 -0.541 -2.647 5.635 246 HZ1 LYS1141 HZ1 LYS1141 -2.223 -1.125 6.459 247 HZ2 LYS1141 HZ2 LYS1141 -1.068 -1.428 7.653 248 HZ3 LYS1141 HZ3 LYS1141 -2.582 -2.171 7.737 249 H ASN1142 HN ASN1142 -2.852 -0.838 1.994 250 HA ASN1142 HA ASN1142 -3.569 1.285 3.797 251 HB2 ASN1142 HB2 ASN1142 -1.203 0.727 3.234 252 HB3 ASN1142 HB1 ASN1142 -1.499 1.260 1.584 253 HD21 ASN1142 HD21 ASN1142 -2.810 2.842 4.432 254 HD22 ASN1142 HD22 ASN1142 -1.896 4.297 4.263 255 H CYS1143 HN CYS1143 -5.754 1.001 2.460 256 HA CYS1143 HA CYS1143 -5.875 3.360 0.724 257 HB2 CYS1143 HB2 CYS1143 -5.753 1.131 -0.567 258 HB3 CYS1143 HB1 CYS1143 -7.372 0.834 0.049 259 H ASN1144 HN ASN1144 -6.719 2.166 3.495 260 HA ASN1144 HA ASN1144 -9.599 2.608 3.396 261 HB2 ASN1144 HB2 ASN1144 -9.589 1.812 5.727 262 HB3 ASN1144 HB1 ASN1144 -8.777 0.666 4.665 263 HD21 ASN1144 HD21 ASN1144 -8.530 1.033 7.541 264 HD22 ASN1144 HD22 ASN1144 -6.860 1.366 7.845 265 H SER1145 HN SER1145 -7.066 4.530 3.440 266 HA SER1145 HA SER1145 -7.652 6.265 5.636 267 HB2 SER1145 HB2 SER1145 -6.044 7.793 4.316 268 HB3 SER1145 HB1 SER1145 -5.397 6.277 4.943 269 HG SER1145 HG SER1145 -4.897 6.761 2.686 270 H THR1146 HN THR1146 -8.499 8.395 5.484 271 HA THR1146 HA THR1146 -10.623 8.559 3.521 272 HB THR1146 HB THR1146 -11.316 10.573 4.920 273 HG1 THR1146 HG1 THR1146 -10.029 9.800 7.141 274 HG21 THR1146 HG21 THR1146 -11.109 7.870 6.257 275 HG22 THR1146 HG22 THR1146 -12.384 8.391 5.155 276 HG23 THR1146 HG23 THR1146 -12.209 9.164 6.729 277 H GLU1147 HN GLU1147 -7.915 9.005 2.607 278 HA GLU1147 HA GLU1147 -7.748 11.818 2.005 279 HB2 GLU1147 HB2 GLU1147 -5.849 9.950 2.263 280 HB3 GLU1147 HB1 GLU1147 -6.116 9.819 0.529 281 HG2 GLU1147 HG2 GLU1147 -5.727 12.242 0.319 282 HG3 GLU1147 HG1 GLU1147 -5.379 12.291 2.045 283 H THR1148 HN THR1148 -9.707 9.465 0.975 284 HA THR1148 HA THR1148 -9.745 9.283 -1.744 285 HB THR1148 HB THR1148 -12.268 9.775 -0.165 286 HG1 THR1148 HG1 THR1148 -10.925 7.269 -0.340 287 HG21 THR1148 HG21 THR1148 -11.621 7.897 -2.441 288 HG22 THR1148 HG22 THR1148 -12.493 9.423 -2.587 289 HG23 THR1148 HG23 THR1148 -13.195 8.090 -1.669 Start of MODEL 4 1 H1 THR1103 HT1 THR1103 24.343 1.684 12.911 2 H2 THR1103 HT2 THR1103 25.253 3.109 12.842 3 H3 THR1103 HT3 THR1103 24.854 2.289 11.418 4 HA THR1103 HA THR1103 22.927 3.576 13.251 5 HB THR1103 HB THR1103 23.641 4.427 10.443 6 HG1 THR1103 HG1 THR1103 24.640 5.460 12.921 7 HG21 THR1103 HG21 THR1103 22.203 5.822 12.705 8 HG22 THR1103 HG22 THR1103 21.455 5.149 11.257 9 HG23 THR1103 HG23 THR1103 22.550 6.525 11.127 10 H HIS1104 HN HIS1104 21.174 2.299 13.227 11 HA HIS1104 HA HIS1104 20.653 0.488 11.077 12 HB2 HIS1104 HB2 HIS1104 19.100 1.200 13.559 13 HB3 HIS1104 HB1 HIS1104 18.507 0.048 12.368 14 HD1 HIS1104 HD1 HIS1104 19.645 -0.309 15.485 15 HD2 HIS1104 HD2 HIS1104 21.260 -1.652 11.898 16 HE1 HIS1104 HE1 HIS1104 21.117 -2.254 16.089 17 HE2 HIS1104 HE2 HIS1104 22.174 -2.974 13.921 18 H ALA1105 HN ALA1105 20.263 1.537 9.225 19 HA ALA1105 HA ALA1105 18.250 3.617 9.071 20 HB1 ALA1105 HB1 ALA1105 18.833 3.689 6.695 21 HB2 ALA1105 HB2 ALA1105 19.859 2.269 6.901 22 HB3 ALA1105 HB3 ALA1105 20.276 3.782 7.704 23 HA PRO1106 HA PRO1106 14.841 0.783 8.627 24 HB2 PRO1106 HB2 PRO1106 13.783 3.056 7.011 25 HB3 PRO1106 HB1 PRO1106 13.017 2.161 8.327 26 HG2 PRO1106 HG2 PRO1106 13.995 4.599 8.738 27 HG3 PRO1106 HG1 PRO1106 14.165 3.331 9.966 28 HD2 PRO1106 HD2 PRO1106 16.196 4.433 8.084 29 HD3 PRO1106 HD1 PRO1106 16.396 3.853 9.748 30 H ALA1107 HN ALA1107 14.030 -0.576 7.071 31 HA ALA1107 HA ALA1107 15.516 -0.762 4.624 32 HB1 ALA1107 HB1 ALA1107 14.900 -2.761 5.891 33 HB2 ALA1107 HB2 ALA1107 14.251 -2.813 4.253 34 HB3 ALA1107 HB3 ALA1107 13.194 -2.418 5.608 35 H SER1108 HN SER1108 14.491 1.558 4.291 36 HA SER1108 HA SER1108 11.877 1.601 3.125 37 HB2 SER1108 HB2 SER1108 12.632 3.953 2.463 38 HB3 SER1108 HB1 SER1108 12.594 3.602 4.192 39 HG SER1108 HG SER1108 14.533 4.629 3.631 40 H CYS1109 HN CYS1109 11.488 2.287 0.917 41 HA CYS1109 HA CYS1109 13.399 1.060 -0.943 42 HB2 CYS1109 HB2 CYS1109 10.444 1.600 -1.265 43 HB3 CYS1109 HB1 CYS1109 11.478 0.811 -2.455 44 H LEU1110 HN LEU1110 12.643 2.091 -3.289 45 HA LEU1110 HA LEU1110 14.109 4.394 -3.591 46 HB2 LEU1110 HB2 LEU1110 12.929 2.646 -5.226 47 HB3 LEU1110 HB1 LEU1110 11.782 3.952 -5.375 48 HG LEU1110 HG LEU1110 13.592 5.447 -6.141 49 HD11 LEU1110 HD11 LEU1110 15.257 2.932 -6.068 50 HD12 LEU1110 HD12 LEU1110 15.490 4.367 -5.071 51 HD13 LEU1110 HD13 LEU1110 15.735 4.455 -6.813 52 HD21 LEU1110 HD21 LEU1110 13.263 2.876 -7.682 53 HD22 LEU1110 HD22 LEU1110 13.811 4.414 -8.352 54 HD23 LEU1110 HD23 LEU1110 12.169 4.258 -7.723 55 H ASP1111 HN ASP1111 13.457 6.576 -4.212 56 HA ASP1111 HA ASP1111 11.622 7.813 -2.488 57 HB2 ASP1111 HB2 ASP1111 13.427 9.065 -3.518 58 HB3 ASP1111 HB1 ASP1111 12.768 8.767 -5.122 59 H THR1112 HN THR1112 11.279 6.634 -5.788 60 HA THR1112 HA THR1112 8.496 7.480 -5.880 61 HB THR1112 HB THR1112 8.629 6.377 -8.198 62 HG1 THR1112 HG1 THR1112 10.446 5.364 -8.575 63 HG21 THR1112 HG21 THR1112 10.380 8.745 -7.531 64 HG22 THR1112 HG22 THR1112 8.656 8.787 -7.896 65 HG23 THR1112 HG23 THR1112 9.811 8.327 -9.147 66 H GLN1113 HN GLN1113 10.103 4.922 -4.585 67 HA GLN1113 HA GLN1113 8.071 2.958 -5.319 68 HB2 GLN1113 HB2 GLN1113 10.772 2.751 -4.046 69 HB3 GLN1113 HB1 GLN1113 9.612 1.442 -3.905 70 HG2 GLN1113 HG2 GLN1113 9.474 1.413 -6.385 71 HG3 GLN1113 HG1 GLN1113 10.795 2.567 -6.423 72 HE21 GLN1113 HE21 GLN1113 10.641 -0.175 -7.437 73 HE22 GLN1113 HE22 GLN1113 11.948 -1.019 -6.687 74 H TYR1114 HN TYR1114 7.131 1.651 -3.723 75 HA TYR1114 HA TYR1114 6.675 3.047 -1.167 76 HB2 TYR1114 HB2 TYR1114 4.638 2.634 -2.501 77 HB3 TYR1114 HB1 TYR1114 5.033 0.926 -2.546 78 HD1 TYR1114 HD1 TYR1114 4.407 3.622 -0.032 79 HD2 TYR1114 HD2 TYR1114 3.994 -0.492 -1.055 80 HE1 TYR1114 HE1 TYR1114 3.087 3.249 2.006 81 HE2 TYR1114 HE2 TYR1114 2.668 -0.878 0.991 82 HH TYR1114 HH TYR1114 1.377 1.642 2.827 83 H THR1115 HN THR1115 6.823 1.900 0.722 84 HA THR1115 HA THR1115 8.323 -0.620 0.555 85 HB THR1115 HB THR1115 8.069 1.111 3.014 86 HG1 THR1115 HG1 THR1115 9.048 2.144 1.028 87 HG21 THR1115 HG21 THR1115 10.081 -0.050 3.712 88 HG22 THR1115 HG22 THR1115 10.174 -0.879 2.161 89 HG23 THR1115 HG23 THR1115 8.852 -1.237 3.269 90 H CYS1116 HN CYS1116 6.752 -2.124 0.457 91 HA CYS1116 HA CYS1116 4.228 -1.964 1.643 92 HB2 CYS1116 HB2 CYS1116 5.730 -4.506 1.015 93 HB3 CYS1116 HB1 CYS1116 3.986 -4.292 1.092 94 H ASP1117 HN ASP1117 3.349 -3.344 3.348 95 HA ASP1117 HA ASP1117 4.624 -3.046 5.809 96 HB2 ASP1117 HB2 ASP1117 2.222 -3.353 5.609 97 HB3 ASP1117 HB1 ASP1117 2.450 -4.970 4.961 98 H ASN1118 HN ASN1118 4.843 -5.540 3.430 99 HA ASN1118 HA ASN1118 6.195 -7.411 5.193 100 HB2 ASN1118 HB2 ASN1118 5.816 -7.691 2.217 101 HB3 ASN1118 HB1 ASN1118 6.051 -8.965 3.400 102 HD21 ASN1118 HD21 ASN1118 4.328 -9.672 4.574 103 HD22 ASN1118 HD22 ASN1118 2.712 -9.211 4.204 104 H HIS1119 HN HIS1119 7.305 -4.712 4.280 105 HA HIS1119 HA HIS1119 9.237 -3.748 3.569 106 HB2 HIS1119 HB2 HIS1119 10.289 -6.447 4.430 107 HB3 HIS1119 HB1 HIS1119 11.345 -5.159 3.862 108 HD1 HIS1119 HD1 HIS1119 10.151 -6.551 6.881 109 HD2 HIS1119 HD2 HIS1119 10.797 -2.668 5.543 110 HE1 HIS1119 HE1 HIS1119 10.345 -5.144 8.956 111 HE2 HIS1119 HE2 HIS1119 10.847 -2.820 8.129 112 H GLN1120 HN GLN1120 7.763 -4.379 1.488 113 HA GLN1120 HA GLN1120 9.613 -5.599 -0.451 114 HB2 GLN1120 HB2 GLN1120 7.507 -6.875 -0.152 115 HB3 GLN1120 HB1 GLN1120 6.592 -5.443 -0.597 116 HG2 GLN1120 HG2 GLN1120 6.749 -7.001 -2.450 117 HG3 GLN1120 HG1 GLN1120 7.573 -5.488 -2.821 118 HE21 GLN1120 HE21 GLN1120 8.829 -6.467 -4.405 119 HE22 GLN1120 HE22 GLN1120 10.136 -7.530 -4.015 120 H CYS1121 HN CYS1121 9.983 -4.490 -2.376 121 HA CYS1121 HA CYS1121 9.215 -1.665 -2.266 122 HB2 CYS1121 HB2 CYS1121 11.463 -3.049 -3.736 123 HB3 CYS1121 HB1 CYS1121 11.126 -1.322 -3.820 124 H ILE1122 HN ILE1122 7.435 -1.276 -3.371 125 HA ILE1122 HA ILE1122 7.274 -2.256 -6.149 126 HB ILE1122 HB ILE1122 4.848 -2.063 -6.024 127 HG12 ILE1122 HG12 ILE1122 5.153 -1.558 -3.065 128 HG13 ILE1122 HG11 ILE1122 4.901 -0.268 -4.237 129 HG21 ILE1122 HG21 ILE1122 5.841 -4.217 -5.510 130 HG22 ILE1122 HG22 ILE1122 4.397 -3.960 -4.530 131 HG23 ILE1122 HG23 ILE1122 5.995 -3.759 -3.814 132 HD11 ILE1122 HD11 ILE1122 2.762 -1.131 -4.826 133 HD12 ILE1122 HD12 ILE1122 2.841 -1.023 -3.064 134 HD13 ILE1122 HD13 ILE1122 3.028 -2.585 -3.869 135 H SER1123 HN SER1123 5.794 -0.694 -7.465 136 HA SER1123 HA SER1123 6.808 1.979 -7.202 137 HB2 SER1123 HB2 SER1123 6.414 1.155 -9.434 138 HB3 SER1123 HB1 SER1123 4.743 0.747 -9.045 139 HG SER1123 HG SER1123 4.270 2.687 -9.682 140 H LYS1124 HN LYS1124 5.698 3.813 -6.557 141 HA LYS1124 HA LYS1124 3.642 3.501 -4.650 142 HB2 LYS1124 HB2 LYS1124 4.806 5.895 -6.039 143 HB3 LYS1124 HB1 LYS1124 3.439 6.056 -4.944 144 HG2 LYS1124 HG2 LYS1124 4.760 5.068 -3.143 145 HG3 LYS1124 HG1 LYS1124 6.130 4.901 -4.242 146 HD2 LYS1124 HD2 LYS1124 6.242 7.311 -4.508 147 HD3 LYS1124 HD1 LYS1124 4.815 7.512 -3.489 148 HE2 LYS1124 HE2 LYS1124 5.999 6.625 -1.584 149 HE3 LYS1124 HE1 LYS1124 7.401 6.255 -2.586 150 HZ1 LYS1124 HZ1 LYS1124 6.351 8.981 -2.056 151 HZ2 LYS1124 HZ2 LYS1124 7.725 8.604 -2.967 152 HZ3 LYS1124 HZ3 LYS1124 7.700 8.290 -1.307 153 H ASN1125 HN ASN1125 3.592 3.826 -8.077 154 HA ASN1125 HA ASN1125 0.845 4.665 -8.237 155 HB2 ASN1125 HB2 ASN1125 2.685 3.491 -10.329 156 HB3 ASN1125 HB1 ASN1125 1.062 4.089 -10.656 157 HD21 ASN1125 HD21 ASN1125 0.667 6.301 -10.603 158 HD22 ASN1125 HD22 ASN1125 1.952 7.462 -10.631 159 H TRP1126 HN TRP1126 2.380 1.786 -7.482 160 HA TRP1126 HA TRP1126 0.248 0.065 -8.484 161 HB2 TRP1126 HB2 TRP1126 2.748 -0.564 -6.896 162 HB3 TRP1126 HB1 TRP1126 1.578 -1.760 -7.425 163 HD1 TRP1126 HD1 TRP1126 1.850 0.539 -10.223 164 HE1 TRP1126 HE1 TRP1126 3.531 -0.305 -11.980 165 HE3 TRP1126 HE3 TRP1126 4.176 -3.068 -7.452 166 HZ2 TRP1126 HZ2 TRP1126 5.575 -2.248 -12.161 167 HZ3 TRP1126 HZ3 TRP1126 5.984 -4.373 -8.488 168 HH2 TRP1126 HH2 TRP1126 6.667 -3.972 -10.796 169 H VAL1127 HN VAL1127 0.931 1.936 -5.791 170 HA VAL1127 HA VAL1127 -0.101 0.252 -3.746 171 HB VAL1127 HB VAL1127 0.192 3.261 -3.771 172 HG11 VAL1127 HG11 VAL1127 -0.151 1.358 -1.455 173 HG12 VAL1127 HG12 VAL1127 -1.347 2.515 -2.036 174 HG13 VAL1127 HG13 VAL1127 0.163 3.088 -1.329 175 HG21 VAL1127 HG21 VAL1127 2.289 2.895 -2.612 176 HG22 VAL1127 HG22 VAL1127 2.298 2.068 -4.171 177 HG23 VAL1127 HG23 VAL1127 2.048 1.150 -2.688 178 H CYS1128 HN CYS1128 -2.106 -0.296 -3.398 179 HA CYS1128 HA CYS1128 -4.369 -0.236 -3.199 180 HB2 CYS1128 HB2 CYS1128 -3.854 1.908 -2.011 181 HB3 CYS1128 HB1 CYS1128 -4.083 2.757 -3.530 182 H ASP1129 HN ASP1129 -3.501 -1.011 -5.560 183 HA ASP1129 HA ASP1129 -5.173 0.390 -7.556 184 HB2 ASP1129 HB2 ASP1129 -3.613 -0.128 -9.235 185 HB3 ASP1129 HB1 ASP1129 -2.602 0.308 -7.862 186 H THR1130 HN THR1130 -5.580 -1.892 -5.582 187 HA THR1130 HA THR1130 -6.640 -3.840 -5.369 188 HB THR1130 HB THR1130 -8.332 -4.534 -7.010 189 HG1 THR1130 HG1 THR1130 -6.902 -2.911 -8.674 190 HG21 THR1130 HG21 THR1130 -9.746 -2.540 -6.824 191 HG22 THR1130 HG22 THR1130 -8.331 -1.585 -6.384 192 HG23 THR1130 HG23 THR1130 -8.885 -2.878 -5.321 193 H ASP1131 HN ASP1131 -3.953 -3.809 -6.558 194 HA ASP1131 HA ASP1131 -4.028 -6.615 -7.452 195 HB2 ASP1131 HB2 ASP1131 -3.351 -5.137 -9.317 196 HB3 ASP1131 HB1 ASP1131 -2.032 -4.515 -8.334 197 H ASN1132 HN ASN1132 -2.652 -7.991 -6.407 198 HA ASN1132 HA ASN1132 -1.527 -6.975 -3.941 199 HB2 ASN1132 HB2 ASN1132 -1.957 -9.748 -5.028 200 HB3 ASN1132 HB1 ASN1132 -1.027 -9.465 -3.561 201 HD21 ASN1132 HD21 ASN1132 -2.518 -10.601 -2.330 202 HD22 ASN1132 HD22 ASN1132 -4.063 -9.947 -1.920 203 H ASP1133 HN ASP1133 -0.047 -5.818 -5.687 204 HA ASP1133 HA ASP1133 2.243 -7.151 -6.622 205 HB2 ASP1133 HB2 ASP1133 3.171 -4.631 -6.215 206 HB3 ASP1133 HB1 ASP1133 2.197 -5.103 -7.606 207 H CYS1134 HN CYS1134 1.522 -5.611 -3.518 208 HA CYS1134 HA CYS1134 4.119 -6.100 -2.425 209 HB2 CYS1134 HB2 CYS1134 1.471 -5.472 -1.123 210 HB3 CYS1134 HB1 CYS1134 2.967 -5.662 -0.220 211 H GLY1135 HN GLY1135 2.026 -8.315 -3.443 212 HA2 GLY1135 HA2 GLY1135 1.923 -10.589 -3.035 213 HA3 GLY1135 HA1 GLY1135 3.011 -10.358 -1.673 214 H ASP1136 HN ASP1136 2.016 -9.248 0.245 215 HA ASP1136 HA ASP1136 -0.371 -10.536 1.069 216 HB2 ASP1136 HB2 ASP1136 1.141 -9.987 2.792 217 HB3 ASP1136 HB1 ASP1136 1.313 -8.335 2.222 218 H GLY1137 HN GLY1137 0.300 -7.650 -0.616 219 HA2 GLY1137 HA2 GLY1137 -1.137 -6.098 -1.563 220 HA3 GLY1137 HA1 GLY1137 -2.487 -6.945 -0.813 221 H SER1138 HN SER1138 0.343 -5.853 0.910 222 HA SER1138 HA SER1138 -1.213 -4.551 2.869 223 HB2 SER1138 HB2 SER1138 1.123 -3.689 3.582 224 HB3 SER1138 HB1 SER1138 0.786 -5.406 3.678 225 HG SER1138 HG SER1138 2.332 -5.747 2.324 226 H ASP1139 HN ASP1139 0.285 -3.489 -0.057 227 HA ASP1139 HA ASP1139 0.177 -0.695 0.396 228 HB2 ASP1139 HB2 ASP1139 0.463 -0.479 -1.964 229 HB3 ASP1139 HB1 ASP1139 1.399 -1.886 -1.474 230 H GLU1140 HN GLU1140 -2.114 -3.135 -0.459 231 HA GLU1140 HA GLU1140 -4.203 -1.326 -1.280 232 HB2 GLU1140 HB2 GLU1140 -4.369 -4.267 -0.589 233 HB3 GLU1140 HB1 GLU1140 -5.560 -3.332 -1.474 234 HG2 GLU1140 HG2 GLU1140 -2.756 -3.822 -2.438 235 HG3 GLU1140 HG1 GLU1140 -4.141 -4.821 -2.878 236 H LYS1141 HN LYS1141 -3.321 -3.215 1.567 237 HA LYS1141 HA LYS1141 -5.763 -2.682 2.957 238 HB2 LYS1141 HB2 LYS1141 -4.917 -3.980 4.693 239 HB3 LYS1141 HB1 LYS1141 -4.170 -4.677 3.274 240 HG2 LYS1141 HG2 LYS1141 -2.150 -3.232 3.829 241 HG3 LYS1141 HG1 LYS1141 -2.920 -2.962 5.393 242 HD2 LYS1141 HD2 LYS1141 -3.064 -5.459 5.650 243 HD3 LYS1141 HD1 LYS1141 -2.084 -5.599 4.194 244 HE2 LYS1141 HE2 LYS1141 -0.301 -4.307 5.310 245 HE3 LYS1141 HE1 LYS1141 -1.272 -4.287 6.781 246 HZ1 LYS1141 HZ1 LYS1141 -1.149 -6.671 6.898 247 HZ2 LYS1141 HZ2 LYS1141 0.429 -6.061 6.755 248 HZ3 LYS1141 HZ3 LYS1141 -0.342 -6.758 5.411 249 H ASN1142 HN ASN1142 -2.673 -1.143 2.698 250 HA ASN1142 HA ASN1142 -3.314 0.750 4.830 251 HB2 ASN1142 HB2 ASN1142 -0.983 -0.205 4.497 252 HB3 ASN1142 HB1 ASN1142 -0.885 0.748 3.024 253 HD21 ASN1142 HD21 ASN1142 -1.028 0.846 6.493 254 HD22 ASN1142 HD22 ASN1142 -0.468 2.472 6.671 255 H CYS1143 HN CYS1143 -5.217 0.979 3.082 256 HA CYS1143 HA CYS1143 -4.650 3.483 1.682 257 HB2 CYS1143 HB2 CYS1143 -4.534 1.671 0.004 258 HB3 CYS1143 HB1 CYS1143 -6.153 1.154 0.459 259 H ASN1144 HN ASN1144 -5.667 4.108 3.739 260 HA ASN1144 HA ASN1144 -7.345 4.905 5.001 261 HB2 ASN1144 HB2 ASN1144 -8.984 6.222 3.906 262 HB3 ASN1144 HB1 ASN1144 -7.538 6.290 2.917 263 HD21 ASN1144 HD21 ASN1144 -7.616 5.572 0.840 264 HD22 ASN1144 HD22 ASN1144 -9.055 4.983 0.082 265 H SER1145 HN SER1145 -9.941 4.941 5.154 266 HA SER1145 HA SER1145 -11.736 3.832 5.931 267 HB2 SER1145 HB2 SER1145 -12.701 2.118 4.450 268 HB3 SER1145 HB1 SER1145 -12.136 3.520 3.546 269 HG SER1145 HG SER1145 -10.090 2.041 3.478 270 H THR1146 HN THR1146 -12.487 1.157 6.013 271 HA THR1146 HA THR1146 -10.718 0.255 8.132 272 HB THR1146 HB THR1146 -12.578 -1.494 8.446 273 HG1 THR1146 HG1 THR1146 -13.520 -1.063 6.323 274 HG21 THR1146 HG21 THR1146 -14.004 0.109 9.643 275 HG22 THR1146 HG22 THR1146 -13.203 1.439 8.805 276 HG23 THR1146 HG23 THR1146 -12.292 0.425 9.925 277 H GLU1147 HN GLU1147 -9.600 0.008 5.567 278 HA GLU1147 HA GLU1147 -9.794 -2.660 4.642 279 HB2 GLU1147 HB2 GLU1147 -7.729 -0.501 4.275 280 HB3 GLU1147 HB1 GLU1147 -7.636 -2.061 3.499 281 HG2 GLU1147 HG2 GLU1147 -9.807 -0.024 3.138 282 HG3 GLU1147 HG1 GLU1147 -8.540 -0.426 1.980 283 H THR1148 HN THR1148 -8.136 -1.070 7.196 284 HA THR1148 HA THR1148 -6.285 -3.140 7.806 285 HB THR1148 HB THR1148 -6.398 -2.058 10.140 286 HG1 THR1148 HG1 THR1148 -8.321 -0.996 10.123 287 HG21 THR1148 HG21 THR1148 -5.115 -0.097 9.413 288 HG22 THR1148 HG22 THR1148 -5.682 -0.337 7.762 289 HG23 THR1148 HG23 THR1148 -4.638 -1.539 8.517 Start of MODEL 5 1 H1 THR1103 HT1 THR1103 28.666 -4.654 4.990 2 H2 THR1103 HT2 THR1103 29.066 -4.638 3.346 3 H3 THR1103 HT3 THR1103 27.538 -5.165 3.843 4 HA THR1103 HA THR1103 28.585 -2.425 4.178 5 HB THR1103 HB THR1103 28.129 -3.012 1.803 6 HG1 THR1103 HG1 THR1103 26.800 -1.197 1.429 7 HG21 THR1103 HG21 THR1103 26.400 -4.685 2.101 8 HG22 THR1103 HG22 THR1103 25.790 -3.369 1.099 9 HG23 THR1103 HG23 THR1103 25.315 -3.479 2.794 10 H HIS1104 HN HIS1104 26.804 -0.906 4.729 11 HA HIS1104 HA HIS1104 24.721 -2.220 6.350 12 HB2 HIS1104 HB2 HIS1104 26.507 -1.219 7.769 13 HB3 HIS1104 HB1 HIS1104 26.178 0.346 7.038 14 HD1 HIS1104 HD1 HIS1104 24.356 1.728 8.075 15 HD2 HIS1104 HD2 HIS1104 24.321 -2.211 9.400 16 HE1 HIS1104 HE1 HIS1104 22.665 1.654 9.930 17 HE2 HIS1104 HE2 HIS1104 22.546 -0.769 10.602 18 H ALA1105 HN ALA1105 23.511 -1.989 4.342 19 HA ALA1105 HA ALA1105 22.649 0.752 3.749 20 HB1 ALA1105 HB1 ALA1105 22.157 -1.798 2.211 21 HB2 ALA1105 HB2 ALA1105 23.391 -0.595 1.842 22 HB3 ALA1105 HB3 ALA1105 21.683 -0.175 1.708 23 HA PRO1106 HA PRO1106 18.910 -0.151 6.014 24 HB2 PRO1106 HB2 PRO1106 17.576 2.121 5.399 25 HB3 PRO1106 HB1 PRO1106 18.891 2.080 6.578 26 HG2 PRO1106 HG2 PRO1106 18.930 2.966 3.725 27 HG3 PRO1106 HG1 PRO1106 19.723 3.691 5.134 28 HD2 PRO1106 HD2 PRO1106 21.017 2.106 3.329 29 HD3 PRO1106 HD1 PRO1106 21.502 2.246 5.028 30 H ALA1107 HN ALA1107 16.746 -0.689 5.559 31 HA ALA1107 HA ALA1107 16.377 -1.683 2.880 32 HB1 ALA1107 HB1 ALA1107 14.414 -2.800 3.771 33 HB2 ALA1107 HB2 ALA1107 14.547 -1.877 5.269 34 HB3 ALA1107 HB3 ALA1107 15.797 -3.043 4.837 35 H SER1108 HN SER1108 16.401 1.114 2.958 36 HA SER1108 HA SER1108 13.665 2.015 2.710 37 HB2 SER1108 HB2 SER1108 14.837 4.185 2.056 38 HB3 SER1108 HB1 SER1108 15.151 3.597 3.688 39 HG SER1108 HG SER1108 16.828 3.571 1.427 40 H CYS1109 HN CYS1109 12.547 1.948 0.883 41 HA CYS1109 HA CYS1109 13.760 0.944 -1.521 42 HB2 CYS1109 HB2 CYS1109 10.931 1.882 -0.993 43 HB3 CYS1109 HB1 CYS1109 11.472 1.036 -2.440 44 H LEU1110 HN LEU1110 12.742 2.102 -3.618 45 HA LEU1110 HA LEU1110 14.153 4.474 -4.042 46 HB2 LEU1110 HB2 LEU1110 12.906 2.710 -5.612 47 HB3 LEU1110 HB1 LEU1110 11.665 3.933 -5.571 48 HG LEU1110 HG LEU1110 13.257 5.576 -6.487 49 HD11 LEU1110 HD11 LEU1110 15.345 4.638 -5.694 50 HD12 LEU1110 HD12 LEU1110 15.370 4.748 -7.453 51 HD13 LEU1110 HD13 LEU1110 15.095 3.192 -6.671 52 HD21 LEU1110 HD21 LEU1110 11.751 4.357 -7.945 53 HD22 LEU1110 HD22 LEU1110 12.907 3.031 -8.065 54 HD23 LEU1110 HD23 LEU1110 13.303 4.611 -8.747 55 H ASP1111 HN ASP1111 13.223 6.650 -4.548 56 HA ASP1111 HA ASP1111 11.538 7.623 -2.529 57 HB2 ASP1111 HB2 ASP1111 13.043 9.090 -3.796 58 HB3 ASP1111 HB1 ASP1111 12.079 8.833 -5.247 59 H THR1112 HN THR1112 10.863 6.815 -5.909 60 HA THR1112 HA THR1112 8.043 7.325 -5.605 61 HB THR1112 HB THR1112 7.939 6.373 -7.950 62 HG1 THR1112 HG1 THR1112 10.657 6.714 -8.280 63 HG21 THR1112 HG21 THR1112 8.063 8.778 -7.504 64 HG22 THR1112 HG22 THR1112 8.959 8.351 -8.961 65 HG23 THR1112 HG23 THR1112 9.823 8.681 -7.460 66 H GLN1113 HN GLN1113 9.991 4.792 -4.695 67 HA GLN1113 HA GLN1113 8.020 2.748 -5.280 68 HB2 GLN1113 HB2 GLN1113 10.770 2.697 -4.099 69 HB3 GLN1113 HB1 GLN1113 9.691 1.323 -3.919 70 HG2 GLN1113 HG2 GLN1113 9.451 1.277 -6.382 71 HG3 GLN1113 HG1 GLN1113 10.689 2.520 -6.486 72 HE21 GLN1113 HE21 GLN1113 10.737 -0.153 -7.563 73 HE22 GLN1113 HE22 GLN1113 12.111 -0.937 -6.863 74 H TYR1114 HN TYR1114 7.069 1.482 -3.737 75 HA TYR1114 HA TYR1114 6.568 2.846 -1.181 76 HB2 TYR1114 HB2 TYR1114 4.595 2.345 -2.607 77 HB3 TYR1114 HB1 TYR1114 5.027 0.644 -2.550 78 HD1 TYR1114 HD1 TYR1114 3.968 3.482 -0.402 79 HD2 TYR1114 HD2 TYR1114 4.259 -0.740 -0.835 80 HE1 TYR1114 HE1 TYR1114 2.588 3.184 1.612 81 HE2 TYR1114 HE2 TYR1114 2.883 -1.050 1.176 82 HH TYR1114 HH TYR1114 1.131 1.473 2.613 83 H THR1115 HN THR1115 6.694 1.681 0.734 84 HA THR1115 HA THR1115 8.313 -0.773 0.564 85 HB THR1115 HB THR1115 8.167 1.054 2.966 86 HG1 THR1115 HG1 THR1115 9.014 2.111 1.015 87 HG21 THR1115 HG21 THR1115 8.981 -1.246 3.339 88 HG22 THR1115 HG22 THR1115 10.253 -0.051 3.587 89 HG23 THR1115 HG23 THR1115 10.211 -0.999 2.100 90 H CYS1116 HN CYS1116 6.909 -2.412 0.724 91 HA CYS1116 HA CYS1116 4.465 -2.394 2.081 92 HB2 CYS1116 HB2 CYS1116 6.270 -4.722 1.420 93 HB3 CYS1116 HB1 CYS1116 4.598 -4.868 1.943 94 H ASP1117 HN ASP1117 3.849 -3.664 4.003 95 HA ASP1117 HA ASP1117 5.249 -2.855 6.272 96 HB2 ASP1117 HB2 ASP1117 2.876 -3.499 6.293 97 HB3 ASP1117 HB1 ASP1117 3.324 -5.177 6.015 98 H ASN1118 HN ASN1118 5.274 -5.979 4.598 99 HA ASN1118 HA ASN1118 7.263 -7.065 6.386 100 HB2 ASN1118 HB2 ASN1118 6.091 -8.166 3.829 101 HB3 ASN1118 HB1 ASN1118 7.221 -9.034 4.858 102 HD21 ASN1118 HD21 ASN1118 4.560 -9.786 4.108 103 HD22 ASN1118 HD22 ASN1118 3.642 -9.920 5.567 104 H HIS1119 HN HIS1119 7.693 -4.703 4.468 105 HA HIS1119 HA HIS1119 9.437 -3.745 3.410 106 HB2 HIS1119 HB2 HIS1119 10.881 -6.145 4.522 107 HB3 HIS1119 HB1 HIS1119 11.700 -4.915 3.561 108 HD1 HIS1119 HD1 HIS1119 10.469 -5.625 6.962 109 HD2 HIS1119 HD2 HIS1119 11.738 -2.315 4.789 110 HE1 HIS1119 HE1 HIS1119 10.908 -3.827 8.660 111 HE2 HIS1119 HE2 HIS1119 11.869 -1.911 7.335 112 H GLN1120 HN GLN1120 8.305 -3.994 1.465 113 HA GLN1120 HA GLN1120 9.846 -5.529 -0.482 114 HB2 GLN1120 HB2 GLN1120 7.852 -6.898 -0.032 115 HB3 GLN1120 HB1 GLN1120 6.819 -5.516 -0.365 116 HG2 GLN1120 HG2 GLN1120 6.821 -6.982 -2.258 117 HG3 GLN1120 HG1 GLN1120 7.650 -5.486 -2.683 118 HE21 GLN1120 HE21 GLN1120 8.770 -6.442 -4.365 119 HE22 GLN1120 HE22 GLN1120 10.072 -7.549 -4.105 120 H CYS1121 HN CYS1121 10.315 -4.309 -2.242 121 HA CYS1121 HA CYS1121 9.267 -1.583 -2.235 122 HB2 CYS1121 HB2 CYS1121 11.561 -2.771 -3.808 123 HB3 CYS1121 HB1 CYS1121 11.137 -1.065 -3.730 124 H ILE1122 HN ILE1122 7.482 -1.295 -3.388 125 HA ILE1122 HA ILE1122 7.482 -2.261 -6.177 126 HB ILE1122 HB ILE1122 5.026 -2.255 -6.134 127 HG12 ILE1122 HG12 ILE1122 5.262 -1.889 -3.150 128 HG13 ILE1122 HG11 ILE1122 4.858 -0.585 -4.258 129 HG21 ILE1122 HG21 ILE1122 6.197 -4.344 -5.731 130 HG22 ILE1122 HG22 ILE1122 4.710 -4.278 -4.783 131 HG23 ILE1122 HG23 ILE1122 6.266 -3.990 -4.004 132 HD11 ILE1122 HD11 ILE1122 3.274 -3.107 -3.878 133 HD12 ILE1122 HD12 ILE1122 2.853 -1.755 -4.926 134 HD13 ILE1122 HD13 ILE1122 2.891 -1.536 -3.177 135 H SER1123 HN SER1123 5.668 -0.749 -7.366 136 HA SER1123 HA SER1123 6.661 1.937 -7.111 137 HB2 SER1123 HB2 SER1123 6.145 1.150 -9.330 138 HB3 SER1123 HB1 SER1123 4.502 0.723 -8.852 139 HG SER1123 HG SER1123 4.056 2.660 -9.550 140 H LYS1124 HN LYS1124 5.614 3.724 -6.289 141 HA LYS1124 HA LYS1124 3.535 3.356 -4.398 142 HB2 LYS1124 HB2 LYS1124 4.743 5.806 -5.659 143 HB3 LYS1124 HB1 LYS1124 3.383 5.921 -4.551 144 HG2 LYS1124 HG2 LYS1124 4.707 4.832 -2.811 145 HG3 LYS1124 HG1 LYS1124 6.072 4.722 -3.923 146 HD2 LYS1124 HD2 LYS1124 6.191 7.138 -4.070 147 HD3 LYS1124 HD1 LYS1124 4.757 7.294 -3.053 148 HE2 LYS1124 HE2 LYS1124 5.945 6.263 -1.197 149 HE3 LYS1124 HE1 LYS1124 7.370 6.049 -2.211 150 HZ1 LYS1124 HZ1 LYS1124 7.497 8.000 -0.741 151 HZ2 LYS1124 HZ2 LYS1124 6.172 8.678 -1.540 152 HZ3 LYS1124 HZ3 LYS1124 7.616 8.408 -2.379 153 H ASN1125 HN ASN1125 3.539 3.692 -7.784 154 HA ASN1125 HA ASN1125 0.868 4.727 -8.042 155 HB2 ASN1125 HB2 ASN1125 2.666 4.882 -9.818 156 HB3 ASN1125 HB1 ASN1125 2.446 3.161 -10.094 157 HD21 ASN1125 HD21 ASN1125 1.810 3.498 -12.209 158 HD22 ASN1125 HD22 ASN1125 0.257 4.146 -12.616 159 H TRP1126 HN TRP1126 2.260 1.742 -7.262 160 HA TRP1126 HA TRP1126 0.043 0.133 -8.234 161 HB2 TRP1126 HB2 TRP1126 2.569 -0.598 -6.738 162 HB3 TRP1126 HB1 TRP1126 1.342 -1.750 -7.231 163 HD1 TRP1126 HD1 TRP1126 1.604 0.656 -9.966 164 HE1 TRP1126 HE1 TRP1126 3.118 -0.238 -11.844 165 HE3 TRP1126 HE3 TRP1126 3.831 -3.202 -7.458 166 HZ2 TRP1126 HZ2 TRP1126 5.006 -2.298 -12.214 167 HZ3 TRP1126 HZ3 TRP1126 5.481 -4.584 -8.645 168 HH2 TRP1126 HH2 TRP1126 6.056 -4.140 -10.974 169 H VAL1127 HN VAL1127 0.727 1.967 -5.562 170 HA VAL1127 HA VAL1127 -0.402 0.362 -3.508 171 HB VAL1127 HB VAL1127 -0.081 3.368 -3.648 172 HG11 VAL1127 HG11 VAL1127 -1.730 2.733 -1.970 173 HG12 VAL1127 HG12 VAL1127 -0.253 3.321 -1.206 174 HG13 VAL1127 HG13 VAL1127 -0.589 1.590 -1.263 175 HG21 VAL1127 HG21 VAL1127 2.026 2.138 -3.864 176 HG22 VAL1127 HG22 VAL1127 1.673 1.276 -2.367 177 HG23 VAL1127 HG23 VAL1127 1.937 3.020 -2.340 178 H CYS1128 HN CYS1128 -2.409 -0.324 -3.547 179 HA CYS1128 HA CYS1128 -4.678 -0.362 -3.615 180 HB2 CYS1128 HB2 CYS1128 -4.487 1.643 -2.165 181 HB3 CYS1128 HB1 CYS1128 -4.480 2.658 -3.601 182 H ASP1129 HN ASP1129 -3.425 -0.796 -5.934 183 HA ASP1129 HA ASP1129 -4.889 0.791 -7.945 184 HB2 ASP1129 HB2 ASP1129 -3.177 0.328 -9.507 185 HB3 ASP1129 HB1 ASP1129 -2.333 0.697 -8.009 186 H THR1130 HN THR1130 -5.675 -1.617 -6.293 187 HA THR1130 HA THR1130 -6.752 -3.581 -6.440 188 HB THR1130 HB THR1130 -8.318 -3.917 -8.337 189 HG1 THR1130 HG1 THR1130 -6.726 -2.001 -9.496 190 HG21 THR1130 HG21 THR1130 -8.330 -1.133 -7.181 191 HG22 THR1130 HG22 THR1130 -8.969 -2.580 -6.400 192 HG23 THR1130 HG23 THR1130 -9.715 -1.973 -7.877 193 H ASP1131 HN ASP1131 -4.069 -3.762 -7.056 194 HA ASP1131 HA ASP1131 -4.163 -6.192 -8.683 195 HB2 ASP1131 HB2 ASP1131 -3.229 -4.241 -10.012 196 HB3 ASP1131 HB1 ASP1131 -1.884 -4.224 -8.880 197 H ASN1132 HN ASN1132 -2.604 -7.750 -8.109 198 HA ASN1132 HA ASN1132 -2.133 -7.677 -5.253 199 HB2 ASN1132 HB2 ASN1132 -1.726 -10.090 -5.459 200 HB3 ASN1132 HB1 ASN1132 -3.254 -9.627 -6.194 201 HD21 ASN1132 HD21 ASN1132 -1.420 -11.928 -6.620 202 HD22 ASN1132 HD22 ASN1132 -1.123 -11.949 -8.324 203 H ASP1133 HN ASP1133 -0.334 -6.102 -6.926 204 HA ASP1133 HA ASP1133 2.250 -7.239 -6.899 205 HB2 ASP1133 HB2 ASP1133 2.944 -4.753 -6.485 206 HB3 ASP1133 HB1 ASP1133 2.139 -5.174 -8.004 207 H CYS1134 HN CYS1134 3.979 -6.401 -5.328 208 HA CYS1134 HA CYS1134 4.869 -6.354 -3.236 209 HB2 CYS1134 HB2 CYS1134 3.254 -4.629 -2.635 210 HB3 CYS1134 HB1 CYS1134 2.015 -5.844 -2.356 211 H GLY1135 HN GLY1135 5.152 -7.790 -1.407 212 HA2 GLY1135 HA2 GLY1135 4.074 -10.441 -2.031 213 HA3 GLY1135 HA1 GLY1135 5.491 -10.106 -1.045 214 H ASP1136 HN ASP1136 2.440 -8.450 -0.652 215 HA ASP1136 HA ASP1136 1.602 -10.082 1.554 216 HB2 ASP1136 HB2 ASP1136 3.284 -8.869 2.746 217 HB3 ASP1136 HB1 ASP1136 2.736 -7.343 2.065 218 H GLY1137 HN GLY1137 1.303 -6.903 0.020 219 HA2 GLY1137 HA2 GLY1137 -0.727 -6.269 -1.094 220 HA3 GLY1137 HA1 GLY1137 -1.615 -7.274 0.043 221 H SER1138 HN SER1138 0.828 -5.528 1.559 222 HA SER1138 HA SER1138 -0.962 -4.018 3.118 223 HB2 SER1138 HB2 SER1138 1.115 -2.936 4.007 224 HB3 SER1138 HB1 SER1138 1.201 -4.695 3.992 225 HG SER1138 HG SER1138 2.158 -3.268 1.774 226 H ASP1139 HN ASP1139 0.333 -3.479 0.039 227 HA ASP1139 HA ASP1139 0.270 -0.619 0.021 228 HB2 ASP1139 HB2 ASP1139 0.577 -0.834 -2.367 229 HB3 ASP1139 HB1 ASP1139 1.598 -2.025 -1.569 230 H GLU1140 HN GLU1140 -1.976 -3.217 -0.678 231 HA GLU1140 HA GLU1140 -3.977 -1.469 -1.801 232 HB2 GLU1140 HB2 GLU1140 -4.118 -4.371 -0.958 233 HB3 GLU1140 HB1 GLU1140 -5.394 -3.510 -1.801 234 HG2 GLU1140 HG2 GLU1140 -2.626 -3.909 -2.908 235 HG3 GLU1140 HG1 GLU1140 -3.985 -4.982 -3.234 236 H LYS1141 HN LYS1141 -3.161 -2.818 1.296 237 HA LYS1141 HA LYS1141 -5.720 -2.405 2.499 238 HB2 LYS1141 HB2 LYS1141 -4.814 -3.288 4.431 239 HB3 LYS1141 HB1 LYS1141 -3.780 -4.008 3.213 240 HG2 LYS1141 HG2 LYS1141 -2.070 -2.333 3.664 241 HG3 LYS1141 HG1 LYS1141 -3.120 -1.576 4.859 242 HD2 LYS1141 HD2 LYS1141 -3.127 -3.744 6.100 243 HD3 LYS1141 HD1 LYS1141 -1.905 -4.330 4.968 244 HE2 LYS1141 HE2 LYS1141 -0.766 -3.534 6.901 245 HE3 LYS1141 HE1 LYS1141 -0.495 -2.370 5.609 246 HZ1 LYS1141 HZ1 LYS1141 -1.007 -1.265 7.686 247 HZ2 LYS1141 HZ2 LYS1141 -2.477 -2.090 7.801 248 HZ3 LYS1141 HZ3 LYS1141 -2.232 -0.973 6.555 249 H ASN1142 HN ASN1142 -2.807 -0.500 2.151 250 HA ASN1142 HA ASN1142 -3.665 1.519 4.037 251 HB2 ASN1142 HB2 ASN1142 -1.231 0.907 3.506 252 HB3 ASN1142 HB1 ASN1142 -1.448 1.800 2.005 253 HD21 ASN1142 HD21 ASN1142 -1.644 4.042 2.076 254 HD22 ASN1142 HD22 ASN1142 -1.248 4.959 3.490 255 H CYS1143 HN CYS1143 -5.756 1.563 2.800 256 HA CYS1143 HA CYS1143 -6.090 3.868 1.260 257 HB2 CYS1143 HB2 CYS1143 -4.898 2.654 -0.494 258 HB3 CYS1143 HB1 CYS1143 -5.974 1.276 -0.308 259 H ASN1144 HN ASN1144 -8.290 4.187 0.733 260 HA ASN1144 HA ASN1144 -10.132 2.788 2.383 261 HB2 ASN1144 HB2 ASN1144 -11.865 4.195 1.217 262 HB3 ASN1144 HB1 ASN1144 -10.572 5.098 1.990 263 HD21 ASN1144 HD21 ASN1144 -10.873 6.898 0.738 264 HD22 ASN1144 HD22 ASN1144 -10.458 6.959 -0.937 265 H SER1145 HN SER1145 -8.998 2.366 -0.791 266 HA SER1145 HA SER1145 -9.325 0.864 -2.421 267 HB2 SER1145 HB2 SER1145 -10.013 -1.381 -1.828 268 HB3 SER1145 HB1 SER1145 -8.975 -0.737 -0.561 269 HG SER1145 HG SER1145 -11.348 -0.077 0.201 270 H THR1146 HN THR1146 -10.966 -0.383 -3.704 271 HA THR1146 HA THR1146 -13.400 1.193 -3.885 272 HB THR1146 HB THR1146 -13.757 -0.190 -5.986 273 HG1 THR1146 HG1 THR1146 -11.020 -0.894 -5.642 274 HG21 THR1146 HG21 THR1146 -11.240 1.462 -5.757 275 HG22 THR1146 HG22 THR1146 -12.864 2.065 -6.091 276 HG23 THR1146 HG23 THR1146 -12.044 1.039 -7.267 277 H GLU1147 HN GLU1147 -13.938 0.187 -1.740 278 HA GLU1147 HA GLU1147 -14.474 -2.545 -1.468 279 HB2 GLU1147 HB2 GLU1147 -15.979 -1.686 0.484 280 HB3 GLU1147 HB1 GLU1147 -14.234 -1.524 0.571 281 HG2 GLU1147 HG2 GLU1147 -15.275 0.482 1.365 282 HG3 GLU1147 HG1 GLU1147 -14.443 0.827 -0.144 283 H THR1148 HN THR1148 -16.387 -0.024 -2.876 284 HA THR1148 HA THR1148 -18.860 -1.474 -2.771 285 HB THR1148 HB THR1148 -18.106 0.778 -4.647 286 HG1 THR1148 HG1 THR1148 -17.966 1.133 -2.228 287 HG21 THR1148 HG21 THR1148 -20.122 -0.447 -5.308 288 HG22 THR1148 HG22 THR1148 -20.518 1.178 -4.748 289 HG23 THR1148 HG23 THR1148 -20.795 -0.209 -3.696 Start of MODEL 6 1 H1 THR1103 HT1 THR1103 4.040 12.102 9.313 2 H2 THR1103 HT2 THR1103 2.581 12.698 8.703 3 H3 THR1103 HT3 THR1103 3.162 13.246 10.192 4 HA THR1103 HA THR1103 3.498 14.879 8.458 5 HB THR1103 HB THR1103 6.067 13.638 9.468 6 HG1 THR1103 HG1 THR1103 4.689 15.814 10.648 7 HG21 THR1103 HG21 THR1103 5.459 16.458 8.568 8 HG22 THR1103 HG22 THR1103 6.475 15.293 7.718 9 HG23 THR1103 HG23 THR1103 6.975 15.918 9.291 10 H HIS1104 HN HIS1104 5.613 12.044 7.917 11 HA HIS1104 HA HIS1104 5.067 12.082 5.099 12 HB2 HIS1104 HB2 HIS1104 6.816 13.874 5.363 13 HB3 HIS1104 HB1 HIS1104 7.905 12.646 5.995 14 HD1 HIS1104 HD1 HIS1104 9.253 11.374 4.309 15 HD2 HIS1104 HD2 HIS1104 6.058 13.400 2.587 16 HE1 HIS1104 HE1 HIS1104 9.535 11.100 1.828 17 HE2 HIS1104 HE2 HIS1104 7.501 12.187 0.820 18 H ALA1105 HN ALA1105 4.953 10.007 4.561 19 HA ALA1105 HA ALA1105 5.801 7.965 6.343 20 HB1 ALA1105 HB1 ALA1105 3.814 7.723 4.946 21 HB2 ALA1105 HB2 ALA1105 4.960 6.413 4.662 22 HB3 ALA1105 HB3 ALA1105 4.824 7.732 3.500 23 HA PRO1106 HA PRO1106 9.899 7.569 4.570 24 HB2 PRO1106 HB2 PRO1106 10.928 6.044 6.528 25 HB3 PRO1106 HB1 PRO1106 10.640 7.773 6.749 26 HG2 PRO1106 HG2 PRO1106 9.063 5.447 7.733 27 HG3 PRO1106 HG1 PRO1106 9.376 7.004 8.516 28 HD2 PRO1106 HD2 PRO1106 7.042 6.308 7.161 29 HD3 PRO1106 HD1 PRO1106 7.549 7.959 7.559 30 H ALA1107 HN ALA1107 10.636 6.110 3.148 31 HA ALA1107 HA ALA1107 9.659 3.344 3.344 32 HB1 ALA1107 HB1 ALA1107 9.441 3.292 0.904 33 HB2 ALA1107 HB2 ALA1107 9.902 4.992 0.826 34 HB3 ALA1107 HB3 ALA1107 8.397 4.522 1.616 35 H SER1108 HN SER1108 11.225 1.825 3.204 36 HA SER1108 HA SER1108 13.948 2.722 2.806 37 HB2 SER1108 HB2 SER1108 14.476 0.295 3.403 38 HB3 SER1108 HB1 SER1108 13.692 1.256 4.658 39 HG SER1108 HG SER1108 12.752 -0.921 3.227 40 H CYS1109 HN CYS1109 12.320 2.884 0.623 41 HA CYS1109 HA CYS1109 13.736 1.152 -1.280 42 HB2 CYS1109 HB2 CYS1109 10.805 1.890 -1.445 43 HB3 CYS1109 HB1 CYS1109 11.703 0.954 -2.632 44 H LEU1110 HN LEU1110 12.759 2.196 -3.579 45 HA LEU1110 HA LEU1110 14.150 4.535 -4.063 46 HB2 LEU1110 HB2 LEU1110 12.829 2.745 -5.533 47 HB3 LEU1110 HB1 LEU1110 11.625 4.009 -5.534 48 HG LEU1110 HG LEU1110 13.316 5.567 -6.494 49 HD11 LEU1110 HD11 LEU1110 15.336 4.593 -7.489 50 HD12 LEU1110 HD12 LEU1110 14.960 3.051 -6.727 51 HD13 LEU1110 HD13 LEU1110 15.340 4.453 -5.732 52 HD21 LEU1110 HD21 LEU1110 11.684 4.447 -7.900 53 HD22 LEU1110 HD22 LEU1110 12.737 3.038 -8.032 54 HD23 LEU1110 HD23 LEU1110 13.229 4.578 -8.742 55 H ASP1111 HN ASP1111 13.391 6.697 -4.500 56 HA ASP1111 HA ASP1111 11.679 7.782 -2.545 57 HB2 ASP1111 HB2 ASP1111 12.867 8.888 -5.076 58 HB3 ASP1111 HB1 ASP1111 11.752 9.843 -4.103 59 H THR1112 HN THR1112 11.079 6.538 -5.724 60 HA THR1112 HA THR1112 8.297 7.449 -5.572 61 HB THR1112 HB THR1112 8.201 6.585 -7.964 62 HG1 THR1112 HG1 THR1112 10.648 6.795 -8.709 63 HG21 THR1112 HG21 THR1112 8.359 8.967 -7.413 64 HG22 THR1112 HG22 THR1112 9.276 8.589 -8.871 65 HG23 THR1112 HG23 THR1112 10.115 8.835 -7.339 66 H GLN1113 HN GLN1113 10.027 4.919 -4.513 67 HA GLN1113 HA GLN1113 8.018 2.916 -5.215 68 HB2 GLN1113 HB2 GLN1113 10.796 2.755 -4.119 69 HB3 GLN1113 HB1 GLN1113 9.683 1.418 -3.894 70 HG2 GLN1113 HG2 GLN1113 9.365 1.348 -6.343 71 HG3 GLN1113 HG1 GLN1113 10.607 2.577 -6.507 72 HE21 GLN1113 HE21 GLN1113 10.556 -0.151 -7.520 73 HE22 GLN1113 HE22 GLN1113 11.962 -0.928 -6.875 74 H TYR1114 HN TYR1114 7.100 1.615 -3.631 75 HA TYR1114 HA TYR1114 6.787 2.935 -1.017 76 HB2 TYR1114 HB2 TYR1114 4.712 2.675 -2.359 77 HB3 TYR1114 HB1 TYR1114 4.980 0.939 -2.393 78 HD1 TYR1114 HD1 TYR1114 4.564 3.726 0.051 79 HD2 TYR1114 HD2 TYR1114 3.931 -0.389 -0.817 80 HE1 TYR1114 HE1 TYR1114 3.295 3.491 2.146 81 HE2 TYR1114 HE2 TYR1114 2.660 -0.638 1.272 82 HH TYR1114 HH TYR1114 1.582 2.009 3.101 83 H THR1115 HN THR1115 6.755 1.600 0.837 84 HA THR1115 HA THR1115 8.246 -0.908 0.494 85 HB THR1115 HB THR1115 8.319 0.911 2.911 86 HG1 THR1115 HG1 THR1115 10.037 0.712 0.646 87 HG21 THR1115 HG21 THR1115 8.928 -1.374 3.427 88 HG22 THR1115 HG22 THR1115 10.381 -0.369 3.416 89 HG23 THR1115 HG23 THR1115 10.028 -1.422 2.047 90 H CYS1116 HN CYS1116 6.653 -2.387 0.553 91 HA CYS1116 HA CYS1116 4.350 -2.151 2.215 92 HB2 CYS1116 HB2 CYS1116 5.440 -4.402 0.539 93 HB3 CYS1116 HB1 CYS1116 3.918 -4.501 1.409 94 H ASP1117 HN ASP1117 3.766 -4.455 3.306 95 HA ASP1117 HA ASP1117 4.993 -4.473 5.780 96 HB2 ASP1117 HB2 ASP1117 3.759 -6.523 6.206 97 HB3 ASP1117 HB1 ASP1117 2.763 -5.415 5.274 98 H ASN1118 HN ASN1118 5.648 -6.583 3.001 99 HA ASN1118 HA ASN1118 7.750 -7.980 4.426 100 HB2 ASN1118 HB2 ASN1118 6.777 -8.151 1.568 101 HB3 ASN1118 HB1 ASN1118 8.095 -9.125 2.206 102 HD21 ASN1118 HD21 ASN1118 5.508 -9.916 1.113 103 HD22 ASN1118 HD22 ASN1118 4.731 -10.845 2.349 104 H HIS1119 HN HIS1119 7.876 -5.021 3.744 105 HA HIS1119 HA HIS1119 9.305 -3.453 2.934 106 HB2 HIS1119 HB2 HIS1119 11.269 -5.743 3.129 107 HB3 HIS1119 HB1 HIS1119 11.731 -4.092 2.744 108 HD1 HIS1119 HD1 HIS1119 12.223 -6.062 5.401 109 HD2 HIS1119 HD2 HIS1119 10.096 -2.510 5.064 110 HE1 HIS1119 HE1 HIS1119 12.119 -5.111 7.725 111 HE2 HIS1119 HE2 HIS1119 10.645 -3.081 7.522 112 H GLN1120 HN GLN1120 7.745 -5.095 1.138 113 HA GLN1120 HA GLN1120 9.296 -5.734 -1.167 114 HB2 GLN1120 HB2 GLN1120 7.052 -6.741 -0.493 115 HB3 GLN1120 HB1 GLN1120 6.319 -5.250 -1.062 116 HG2 GLN1120 HG2 GLN1120 6.143 -6.903 -2.778 117 HG3 GLN1120 HG1 GLN1120 7.290 -5.667 -3.294 118 HE21 GLN1120 HE21 GLN1120 9.430 -6.199 -3.556 119 HE22 GLN1120 HE22 GLN1120 10.010 -7.825 -3.509 120 H CYS1121 HN CYS1121 10.243 -4.211 -2.346 121 HA CYS1121 HA CYS1121 9.257 -1.510 -2.351 122 HB2 CYS1121 HB2 CYS1121 11.558 -2.797 -3.830 123 HB3 CYS1121 HB1 CYS1121 11.212 -1.070 -3.819 124 H ILE1122 HN ILE1122 7.362 -1.397 -3.375 125 HA ILE1122 HA ILE1122 7.307 -2.154 -6.220 126 HB ILE1122 HB ILE1122 4.868 -2.088 -6.080 127 HG12 ILE1122 HG12 ILE1122 5.229 -1.687 -3.105 128 HG13 ILE1122 HG11 ILE1122 4.782 -0.402 -4.224 129 HG21 ILE1122 HG21 ILE1122 5.925 -4.218 -5.729 130 HG22 ILE1122 HG22 ILE1122 4.549 -4.082 -4.631 131 HG23 ILE1122 HG23 ILE1122 6.188 -3.851 -4.025 132 HD11 ILE1122 HD11 ILE1122 2.855 -1.332 -3.032 133 HD12 ILE1122 HD12 ILE1122 3.198 -2.913 -3.744 134 HD13 ILE1122 HD13 ILE1122 2.740 -1.560 -4.779 135 H SER1123 HN SER1123 5.719 -0.584 -7.442 136 HA SER1123 HA SER1123 6.714 2.071 -7.082 137 HB2 SER1123 HB2 SER1123 6.220 1.419 -9.325 138 HB3 SER1123 HB1 SER1123 4.592 0.901 -8.887 139 HG SER1123 HG SER1123 4.173 2.853 -9.628 140 H LYS1124 HN LYS1124 5.642 3.873 -6.306 141 HA LYS1124 HA LYS1124 3.593 3.522 -4.390 142 HB2 LYS1124 HB2 LYS1124 4.696 5.964 -5.767 143 HB3 LYS1124 HB1 LYS1124 3.397 6.066 -4.586 144 HG2 LYS1124 HG2 LYS1124 4.837 5.073 -2.894 145 HG3 LYS1124 HG1 LYS1124 6.138 4.925 -4.078 146 HD2 LYS1124 HD2 LYS1124 6.221 7.337 -4.325 147 HD3 LYS1124 HD1 LYS1124 4.860 7.520 -3.216 148 HE2 LYS1124 HE2 LYS1124 6.176 6.605 -1.402 149 HE3 LYS1124 HE1 LYS1124 7.521 6.293 -2.499 150 HZ1 LYS1124 HZ1 LYS1124 6.428 8.984 -1.887 151 HZ2 LYS1124 HZ2 LYS1124 7.781 8.641 -2.845 152 HZ3 LYS1124 HZ3 LYS1124 7.816 8.322 -1.185 153 H ASN1125 HN ASN1125 3.530 3.668 -7.772 154 HA ASN1125 HA ASN1125 0.791 4.592 -7.968 155 HB2 ASN1125 HB2 ASN1125 2.682 3.446 -10.031 156 HB3 ASN1125 HB1 ASN1125 1.048 3.978 -10.389 157 HD21 ASN1125 HD21 ASN1125 1.783 5.526 -11.829 158 HD22 ASN1125 HD22 ASN1125 2.547 6.986 -11.301 159 H TRP1126 HN TRP1126 2.407 1.662 -7.354 160 HA TRP1126 HA TRP1126 0.224 -0.012 -8.325 161 HB2 TRP1126 HB2 TRP1126 2.781 -0.753 -6.870 162 HB3 TRP1126 HB1 TRP1126 1.582 -1.895 -7.451 163 HD1 TRP1126 HD1 TRP1126 1.696 0.548 -10.099 164 HE1 TRP1126 HE1 TRP1126 3.316 -0.140 -11.976 165 HE3 TRP1126 HE3 TRP1126 4.269 -3.121 -7.640 166 HZ2 TRP1126 HZ2 TRP1126 5.406 -2.002 -12.362 167 HZ3 TRP1126 HZ3 TRP1126 6.064 -4.307 -8.833 168 HH2 TRP1126 HH2 TRP1126 6.618 -3.759 -11.145 169 H VAL1127 HN VAL1127 1.029 1.734 -5.617 170 HA VAL1127 HA VAL1127 -0.164 0.170 -3.579 171 HB VAL1127 HB VAL1127 0.198 3.170 -3.737 172 HG11 VAL1127 HG11 VAL1127 -1.479 2.560 -2.077 173 HG12 VAL1127 HG12 VAL1127 -0.008 3.142 -1.297 174 HG13 VAL1127 HG13 VAL1127 -0.354 1.413 -1.347 175 HG21 VAL1127 HG21 VAL1127 2.300 1.942 -3.918 176 HG22 VAL1127 HG22 VAL1127 1.920 1.066 -2.436 177 HG23 VAL1127 HG23 VAL1127 2.193 2.806 -2.386 178 H CYS1128 HN CYS1128 -2.209 -0.366 -3.433 179 HA CYS1128 HA CYS1128 -4.477 -0.320 -3.511 180 HB2 CYS1128 HB2 CYS1128 -4.181 1.871 -2.345 181 HB3 CYS1128 HB1 CYS1128 -4.175 2.666 -3.912 182 H ASP1129 HN ASP1129 -3.263 -1.138 -5.743 183 HA ASP1129 HA ASP1129 -4.700 0.199 -7.948 184 HB2 ASP1129 HB2 ASP1129 -2.998 -0.410 -9.437 185 HB3 ASP1129 HB1 ASP1129 -2.120 0.044 -7.983 186 H THR1130 HN THR1130 -5.151 -2.136 -5.912 187 HA THR1130 HA THR1130 -6.288 -4.059 -5.775 188 HB THR1130 HB THR1130 -8.120 -4.464 -7.410 189 HG1 THR1130 HG1 THR1130 -6.660 -2.908 -8.980 190 HG21 THR1130 HG21 THR1130 -8.496 -3.065 -5.464 191 HG22 THR1130 HG22 THR1130 -9.383 -2.425 -6.847 192 HG23 THR1130 HG23 THR1130 -7.882 -1.657 -6.328 193 H ASP1131 HN ASP1131 -3.700 -4.055 -7.290 194 HA ASP1131 HA ASP1131 -4.062 -6.784 -8.331 195 HB2 ASP1131 HB2 ASP1131 -3.572 -5.133 -10.166 196 HB3 ASP1131 HB1 ASP1131 -2.023 -4.818 -9.387 197 H ASN1132 HN ASN1132 -2.495 -8.269 -7.708 198 HA ASN1132 HA ASN1132 -1.360 -7.595 -5.163 199 HB2 ASN1132 HB2 ASN1132 -2.473 -9.760 -5.523 200 HB3 ASN1132 HB1 ASN1132 -1.219 -10.205 -6.678 201 HD21 ASN1132 HD21 ASN1132 -1.926 -9.572 -3.320 202 HD22 ASN1132 HD22 ASN1132 -0.520 -10.344 -2.674 203 H ASP1133 HN ASP1133 0.363 -6.347 -5.262 204 HA ASP1133 HA ASP1133 2.713 -7.386 -6.702 205 HB2 ASP1133 HB2 ASP1133 3.478 -4.859 -6.187 206 HB3 ASP1133 HB1 ASP1133 2.565 -5.291 -7.631 207 H CYS1134 HN CYS1134 1.332 -6.515 -3.673 208 HA CYS1134 HA CYS1134 3.843 -7.308 -2.369 209 HB2 CYS1134 HB2 CYS1134 1.736 -5.365 -1.429 210 HB3 CYS1134 HB1 CYS1134 2.984 -6.019 -0.369 211 H GLY1135 HN GLY1135 3.740 -8.815 -0.705 212 HA2 GLY1135 HA2 GLY1135 2.015 -10.927 -1.095 213 HA3 GLY1135 HA1 GLY1135 2.972 -10.697 0.354 214 H ASP1136 HN ASP1136 1.946 -8.939 1.861 215 HA ASP1136 HA ASP1136 -0.495 -10.024 2.768 216 HB2 ASP1136 HB2 ASP1136 0.987 -9.111 4.381 217 HB3 ASP1136 HB1 ASP1136 1.067 -7.575 3.540 218 H GLY1137 HN GLY1137 0.102 -7.793 0.333 219 HA2 GLY1137 HA2 GLY1137 -1.238 -6.322 -0.828 220 HA3 GLY1137 HA1 GLY1137 -2.615 -6.985 0.051 221 H SER1138 HN SER1138 0.233 -5.660 1.539 222 HA SER1138 HA SER1138 -1.291 -4.051 3.283 223 HB2 SER1138 HB2 SER1138 1.040 -3.198 3.943 224 HB3 SER1138 HB1 SER1138 0.723 -4.914 4.165 225 HG SER1138 HG SER1138 2.200 -5.376 2.743 226 H ASP1139 HN ASP1139 0.278 -3.484 0.256 227 HA ASP1139 HA ASP1139 0.241 -0.649 0.308 228 HB2 ASP1139 HB2 ASP1139 0.603 -0.795 -2.077 229 HB3 ASP1139 HB1 ASP1139 1.566 -2.042 -1.293 230 H GLU1140 HN GLU1140 -2.074 -3.139 -0.516 231 HA GLU1140 HA GLU1140 -4.025 -1.333 -1.605 232 HB2 GLU1140 HB2 GLU1140 -4.357 -4.186 -0.658 233 HB3 GLU1140 HB1 GLU1140 -5.507 -3.283 -1.629 234 HG2 GLU1140 HG2 GLU1140 -2.722 -4.010 -2.494 235 HG3 GLU1140 HG1 GLU1140 -4.180 -4.900 -2.925 236 H LYS1141 HN LYS1141 -3.437 -2.944 1.475 237 HA LYS1141 HA LYS1141 -5.929 -2.257 2.641 238 HB2 LYS1141 HB2 LYS1141 -5.149 -3.229 4.596 239 HB3 LYS1141 HB1 LYS1141 -4.264 -4.088 3.355 240 HG2 LYS1141 HG2 LYS1141 -2.352 -2.505 3.792 241 HG3 LYS1141 HG1 LYS1141 -3.259 -1.943 5.200 242 HD2 LYS1141 HD2 LYS1141 -3.350 -4.281 6.021 243 HD3 LYS1141 HD1 LYS1141 -2.331 -4.762 4.666 244 HE2 LYS1141 HE2 LYS1141 -0.592 -3.207 5.482 245 HE3 LYS1141 HE1 LYS1141 -1.600 -2.873 6.890 246 HZ1 LYS1141 HZ1 LYS1141 0.093 -4.572 7.324 247 HZ2 LYS1141 HZ2 LYS1141 -0.590 -5.562 6.129 248 HZ3 LYS1141 HZ3 LYS1141 -1.473 -5.180 7.521 249 H ASN1142 HN ASN1142 -2.906 -0.597 2.320 250 HA ASN1142 HA ASN1142 -3.604 1.493 4.194 251 HB2 ASN1142 HB2 ASN1142 -1.229 0.763 3.607 252 HB3 ASN1142 HB1 ASN1142 -1.452 1.581 2.068 253 HD21 ASN1142 HD21 ASN1142 -1.468 3.821 2.008 254 HD22 ASN1142 HD22 ASN1142 -0.981 4.794 3.352 255 H CYS1143 HN CYS1143 -5.653 1.079 2.491 256 HA CYS1143 HA CYS1143 -6.146 3.585 1.298 257 HB2 CYS1143 HB2 CYS1143 -4.653 2.769 -0.458 258 HB3 CYS1143 HB1 CYS1143 -5.593 1.289 -0.595 259 H ASN1144 HN ASN1144 -6.935 0.129 0.852 260 HA ASN1144 HA ASN1144 -9.755 0.821 1.296 261 HB2 ASN1144 HB2 ASN1144 -9.204 -0.142 -0.934 262 HB3 ASN1144 HB1 ASN1144 -8.725 -1.594 -0.088 263 HD21 ASN1144 HD21 ASN1144 -11.388 0.418 -1.001 264 HD22 ASN1144 HD22 ASN1144 -12.636 -0.723 -0.640 265 H SER1145 HN SER1145 -9.896 0.619 3.482 266 HA SER1145 HA SER1145 -10.193 -2.014 4.498 267 HB2 SER1145 HB2 SER1145 -8.514 -1.770 6.360 268 HB3 SER1145 HB1 SER1145 -7.806 -2.004 4.765 269 HG SER1145 HG SER1145 -6.869 -0.137 4.940 270 H THR1146 HN THR1146 -11.573 -2.010 6.190 271 HA THR1146 HA THR1146 -12.629 0.569 7.013 272 HB THR1146 HB THR1146 -14.358 -0.857 8.197 273 HG1 THR1146 HG1 THR1146 -12.627 -2.794 7.556 274 HG21 THR1146 HG21 THR1146 -15.515 -1.457 6.110 275 HG22 THR1146 HG22 THR1146 -14.014 -1.209 5.219 276 HG23 THR1146 HG23 THR1146 -14.795 0.150 6.026 277 H GLU1147 HN GLU1147 -10.148 0.345 7.978 278 HA GLU1147 HA GLU1147 -9.941 -0.943 10.491 279 HB2 GLU1147 HB2 GLU1147 -7.861 0.493 10.735 280 HB3 GLU1147 HB1 GLU1147 -7.909 -0.598 9.364 281 HG2 GLU1147 HG2 GLU1147 -7.005 1.384 8.535 282 HG3 GLU1147 HG1 GLU1147 -8.676 1.397 7.991 283 H THR1148 HN THR1148 -11.440 1.935 9.561 284 HA THR1148 HA THR1148 -11.249 3.346 12.018 285 HB THR1148 HB THR1148 -11.842 4.413 9.843 286 HG1 THR1148 HG1 THR1148 -12.366 5.529 11.753 287 HG21 THR1148 HG21 THR1148 -14.147 4.239 9.054 288 HG22 THR1148 HG22 THR1148 -14.483 3.049 10.311 289 HG23 THR1148 HG23 THR1148 -13.338 2.673 9.028 Start of MODEL 7 1 H1 THR1103 HT1 THR1103 25.721 -3.216 12.572 2 H2 THR1103 HT2 THR1103 24.145 -3.029 11.997 3 H3 THR1103 HT3 THR1103 25.410 -2.164 11.289 4 HA THR1103 HA THR1103 26.401 -4.168 10.470 5 HB THR1103 HB THR1103 23.974 -5.652 11.465 6 HG1 THR1103 HG1 THR1103 24.847 -5.645 13.385 7 HG21 THR1103 HG21 THR1103 26.712 -6.564 10.569 8 HG22 THR1103 HG22 THR1103 25.231 -6.663 9.619 9 HG23 THR1103 HG23 THR1103 25.397 -7.614 11.095 10 H HIS1104 HN HIS1104 25.725 -2.566 8.853 11 HA HIS1104 HA HIS1104 24.773 -2.052 6.866 12 HB2 HIS1104 HB2 HIS1104 25.073 -4.501 6.438 13 HB3 HIS1104 HB1 HIS1104 23.436 -4.764 7.026 14 HD1 HIS1104 HD1 HIS1104 21.556 -4.435 5.376 15 HD2 HIS1104 HD2 HIS1104 25.200 -3.011 3.973 16 HE1 HIS1104 HE1 HIS1104 21.180 -3.890 2.952 17 HE2 HIS1104 HE2 HIS1104 23.443 -3.203 2.087 18 H ALA1105 HN ALA1105 23.584 -0.388 7.867 19 HA ALA1105 HA ALA1105 20.999 -0.751 8.970 20 HB1 ALA1105 HB1 ALA1105 22.204 1.748 7.792 21 HB2 ALA1105 HB2 ALA1105 22.412 1.205 9.454 22 HB3 ALA1105 HB3 ALA1105 20.812 1.666 8.871 23 HA PRO1106 HA PRO1106 18.713 -1.461 5.224 24 HB2 PRO1106 HB2 PRO1106 16.420 -0.402 6.754 25 HB3 PRO1106 HB1 PRO1106 16.616 -1.969 5.967 26 HG2 PRO1106 HG2 PRO1106 16.700 -1.717 8.636 27 HG3 PRO1106 HG1 PRO1106 17.708 -2.894 7.775 28 HD2 PRO1106 HD2 PRO1106 18.461 -0.259 8.963 29 HD3 PRO1106 HD1 PRO1106 19.384 -1.774 8.889 30 H ALA1107 HN ALA1107 18.650 -0.166 3.541 31 HA ALA1107 HA ALA1107 18.516 2.710 3.890 32 HB1 ALA1107 HB1 ALA1107 18.887 1.052 1.395 33 HB2 ALA1107 HB2 ALA1107 20.179 1.748 2.374 34 HB3 ALA1107 HB3 ALA1107 19.061 2.803 1.509 35 H SER1108 HN SER1108 17.007 4.041 2.777 36 HA SER1108 HA SER1108 14.368 2.918 2.648 37 HB2 SER1108 HB2 SER1108 13.730 5.292 2.029 38 HB3 SER1108 HB1 SER1108 14.538 5.116 3.586 39 HG SER1108 HG SER1108 15.324 6.859 2.219 40 H CYS1109 HN CYS1109 13.217 2.426 0.889 41 HA CYS1109 HA CYS1109 14.559 1.980 -1.561 42 HB2 CYS1109 HB2 CYS1109 11.654 1.784 -0.787 43 HB3 CYS1109 HB1 CYS1109 12.280 1.272 -2.347 44 H LEU1110 HN LEU1110 13.193 2.627 -3.643 45 HA LEU1110 HA LEU1110 13.992 5.149 -4.344 46 HB2 LEU1110 HB2 LEU1110 12.860 3.056 -5.586 47 HB3 LEU1110 HB1 LEU1110 11.491 4.130 -5.548 48 HG LEU1110 HG LEU1110 12.741 5.805 -6.814 49 HD11 LEU1110 HD11 LEU1110 14.934 3.734 -6.820 50 HD12 LEU1110 HD12 LEU1110 14.992 5.320 -6.052 51 HD13 LEU1110 HD13 LEU1110 14.911 5.193 -7.808 52 HD21 LEU1110 HD21 LEU1110 11.394 4.166 -7.987 53 HD22 LEU1110 HD22 LEU1110 12.745 3.033 -8.004 54 HD23 LEU1110 HD23 LEU1110 12.842 4.539 -8.922 55 H ASP1111 HN ASP1111 12.952 7.155 -4.620 56 HA ASP1111 HA ASP1111 11.155 7.963 -2.620 57 HB2 ASP1111 HB2 ASP1111 12.640 9.553 -3.731 58 HB3 ASP1111 HB1 ASP1111 11.802 9.297 -5.259 59 H THR1112 HN THR1112 10.673 6.672 -5.799 60 HA THR1112 HA THR1112 7.793 7.108 -5.612 61 HB THR1112 HB THR1112 7.870 5.989 -7.938 62 HG1 THR1112 HG1 THR1112 9.808 5.702 -8.825 63 HG21 THR1112 HG21 THR1112 8.461 8.116 -9.005 64 HG22 THR1112 HG22 THR1112 9.188 8.671 -7.496 65 HG23 THR1112 HG23 THR1112 7.451 8.374 -7.582 66 H GLN1113 HN GLN1113 9.879 4.925 -4.399 67 HA GLN1113 HA GLN1113 8.158 2.629 -4.924 68 HB2 GLN1113 HB2 GLN1113 10.923 2.928 -3.841 69 HB3 GLN1113 HB1 GLN1113 9.997 1.494 -3.436 70 HG2 GLN1113 HG2 GLN1113 9.646 1.103 -5.855 71 HG3 GLN1113 HG1 GLN1113 10.709 2.461 -6.190 72 HE21 GLN1113 HE21 GLN1113 11.034 -0.321 -6.922 73 HE22 GLN1113 HE22 GLN1113 12.539 -0.824 -6.236 74 H TYR1114 HN TYR1114 7.148 1.507 -3.400 75 HA TYR1114 HA TYR1114 6.797 2.796 -0.774 76 HB2 TYR1114 HB2 TYR1114 4.755 2.518 -2.161 77 HB3 TYR1114 HB1 TYR1114 5.070 0.794 -2.218 78 HD1 TYR1114 HD1 TYR1114 4.528 3.500 0.289 79 HD2 TYR1114 HD2 TYR1114 3.985 -0.586 -0.751 80 HE1 TYR1114 HE1 TYR1114 3.167 3.170 2.309 81 HE2 TYR1114 HE2 TYR1114 2.627 -0.932 1.264 82 HH TYR1114 HH TYR1114 2.286 0.068 3.447 83 H THR1115 HN THR1115 7.003 1.528 1.066 84 HA THR1115 HA THR1115 8.623 -0.881 0.667 85 HB THR1115 HB THR1115 8.161 0.456 3.333 86 HG1 THR1115 HG1 THR1115 9.489 1.449 1.140 87 HG21 THR1115 HG21 THR1115 10.304 -0.510 3.883 88 HG22 THR1115 HG22 THR1115 10.544 -1.031 2.216 89 HG23 THR1115 HG23 THR1115 9.283 -1.781 3.202 90 H CYS1116 HN CYS1116 7.291 -2.605 0.464 91 HA CYS1116 HA CYS1116 4.651 -2.655 1.470 92 HB2 CYS1116 HB2 CYS1116 6.406 -4.695 0.155 93 HB3 CYS1116 HB1 CYS1116 4.816 -5.130 0.764 94 H ASP1117 HN ASP1117 3.762 -4.530 2.627 95 HA ASP1117 HA ASP1117 4.543 -4.863 5.223 96 HB2 ASP1117 HB2 ASP1117 3.243 -7.101 4.979 97 HB3 ASP1117 HB1 ASP1117 2.397 -5.597 4.689 98 H ASN1118 HN ASN1118 5.302 -7.013 2.515 99 HA ASN1118 HA ASN1118 7.021 -8.722 4.022 100 HB2 ASN1118 HB2 ASN1118 5.658 -9.304 1.955 101 HB3 ASN1118 HB1 ASN1118 6.899 -8.471 1.039 102 HD21 ASN1118 HD21 ASN1118 6.146 -11.249 2.966 103 HD22 ASN1118 HD22 ASN1118 7.536 -12.179 2.528 104 H HIS1119 HN HIS1119 7.519 -5.657 3.372 105 HA HIS1119 HA HIS1119 9.313 -4.275 3.309 106 HB2 HIS1119 HB2 HIS1119 10.932 -6.816 3.587 107 HB3 HIS1119 HB1 HIS1119 11.599 -5.190 3.674 108 HD1 HIS1119 HD1 HIS1119 10.164 -7.808 5.728 109 HD2 HIS1119 HD2 HIS1119 10.496 -3.669 5.941 110 HE1 HIS1119 HE1 HIS1119 9.720 -7.216 8.131 111 HE2 HIS1119 HE2 HIS1119 9.752 -4.699 8.195 112 H GLN1120 HN GLN1120 8.459 -6.319 0.962 113 HA GLN1120 HA GLN1120 10.477 -5.803 -0.994 114 HB2 GLN1120 HB2 GLN1120 8.977 -7.688 -1.300 115 HB3 GLN1120 HB1 GLN1120 7.572 -6.636 -1.229 116 HG2 GLN1120 HG2 GLN1120 8.042 -7.344 -3.505 117 HG3 GLN1120 HG1 GLN1120 8.216 -5.599 -3.328 118 HE21 GLN1120 HE21 GLN1120 9.521 -5.433 -5.124 119 HE22 GLN1120 HE22 GLN1120 11.163 -5.977 -5.135 120 H CYS1121 HN CYS1121 10.607 -4.066 -2.418 121 HA CYS1121 HA CYS1121 8.722 -1.917 -1.786 122 HB2 CYS1121 HB2 CYS1121 11.548 -1.779 -2.823 123 HB3 CYS1121 HB1 CYS1121 10.487 -0.382 -2.650 124 H ILE1122 HN ILE1122 7.290 -1.394 -3.148 125 HA ILE1122 HA ILE1122 7.554 -2.192 -5.971 126 HB ILE1122 HB ILE1122 5.098 -2.156 -6.054 127 HG12 ILE1122 HG12 ILE1122 5.253 -1.614 -3.081 128 HG13 ILE1122 HG11 ILE1122 4.779 -0.434 -4.299 129 HG21 ILE1122 HG21 ILE1122 6.191 -4.257 -5.530 130 HG22 ILE1122 HG22 ILE1122 4.668 -4.127 -4.648 131 HG23 ILE1122 HG23 ILE1122 6.199 -3.850 -3.815 132 HD11 ILE1122 HD11 ILE1122 2.844 -1.778 -4.865 133 HD12 ILE1122 HD12 ILE1122 2.858 -1.380 -3.145 134 HD13 ILE1122 HD13 ILE1122 3.332 -2.993 -3.684 135 H SER1123 HN SER1123 6.155 -0.691 -7.417 136 HA SER1123 HA SER1123 6.943 2.025 -6.978 137 HB2 SER1123 HB2 SER1123 6.775 1.088 -9.253 138 HB3 SER1123 HB1 SER1123 5.047 0.824 -9.024 139 HG SER1123 HG SER1123 4.678 2.888 -9.333 140 H LYS1124 HN LYS1124 5.729 3.697 -6.185 141 HA LYS1124 HA LYS1124 3.567 3.146 -4.478 142 HB2 LYS1124 HB2 LYS1124 4.559 5.750 -5.637 143 HB3 LYS1124 HB1 LYS1124 3.263 5.661 -4.454 144 HG2 LYS1124 HG2 LYS1124 4.784 4.639 -2.848 145 HG3 LYS1124 HG1 LYS1124 6.085 4.693 -4.039 146 HD2 LYS1124 HD2 LYS1124 5.877 7.151 -4.113 147 HD3 LYS1124 HD1 LYS1124 4.632 7.065 -2.869 148 HE2 LYS1124 HE2 LYS1124 7.458 6.071 -2.537 149 HE3 LYS1124 HE1 LYS1124 6.885 7.648 -2.001 150 HZ1 LYS1124 HZ1 LYS1124 5.390 6.593 -0.475 151 HZ2 LYS1124 HZ2 LYS1124 6.939 5.964 -0.226 152 HZ3 LYS1124 HZ3 LYS1124 5.783 5.059 -1.060 153 H ASN1125 HN ASN1125 3.704 3.816 -7.844 154 HA ASN1125 HA ASN1125 1.061 4.649 -8.314 155 HB2 ASN1125 HB2 ASN1125 2.830 4.789 -10.013 156 HB3 ASN1125 HB1 ASN1125 2.903 3.035 -10.092 157 HD21 ASN1125 HD21 ASN1125 1.025 5.865 -10.873 158 HD22 ASN1125 HD22 ASN1125 -0.018 5.092 -12.015 159 H TRP1126 HN TRP1126 2.405 1.553 -7.549 160 HA TRP1126 HA TRP1126 0.148 0.027 -8.532 161 HB2 TRP1126 HB2 TRP1126 2.442 -0.814 -6.744 162 HB3 TRP1126 HB1 TRP1126 1.289 -1.894 -7.510 163 HD1 TRP1126 HD1 TRP1126 2.040 0.522 -10.104 164 HE1 TRP1126 HE1 TRP1126 3.911 -0.314 -11.662 165 HE3 TRP1126 HE3 TRP1126 3.839 -3.298 -7.225 166 HZ2 TRP1126 HZ2 TRP1126 5.889 -2.329 -11.663 167 HZ3 TRP1126 HZ3 TRP1126 5.724 -4.631 -8.076 168 HH2 TRP1126 HH2 TRP1126 6.724 -4.156 -10.250 169 H VAL1127 HN VAL1127 0.978 1.734 -5.721 170 HA VAL1127 HA VAL1127 -0.339 0.176 -3.765 171 HB VAL1127 HB VAL1127 0.296 3.139 -3.785 172 HG11 VAL1127 HG11 VAL1127 -0.441 1.350 -1.472 173 HG12 VAL1127 HG12 VAL1127 -1.427 2.650 -2.142 174 HG13 VAL1127 HG13 VAL1127 0.100 3.023 -1.345 175 HG21 VAL1127 HG21 VAL1127 1.797 0.840 -2.540 176 HG22 VAL1127 HG22 VAL1127 2.256 2.542 -2.497 177 HG23 VAL1127 HG23 VAL1127 2.250 1.668 -4.028 178 H CYS1128 HN CYS1128 -2.396 -0.221 -3.581 179 HA CYS1128 HA CYS1128 -4.651 -0.004 -3.549 180 HB2 CYS1128 HB2 CYS1128 -4.184 2.065 -2.301 181 HB3 CYS1128 HB1 CYS1128 -4.074 2.951 -3.807 182 H ASP1129 HN ASP1129 -3.731 -0.904 -5.806 183 HA ASP1129 HA ASP1129 -5.236 0.546 -7.898 184 HB2 ASP1129 HB2 ASP1129 -3.698 -0.159 -9.541 185 HB3 ASP1129 HB1 ASP1129 -2.688 0.289 -8.176 186 H THR1130 HN THR1130 -6.174 -1.369 -5.931 187 HA THR1130 HA THR1130 -7.404 -3.222 -5.642 188 HB THR1130 HB THR1130 -8.958 -3.876 -7.484 189 HG1 THR1130 HG1 THR1130 -7.219 -2.590 -9.014 190 HG21 THR1130 HG21 THR1130 -10.236 -1.785 -7.420 191 HG22 THR1130 HG22 THR1130 -8.812 -0.940 -6.809 192 HG23 THR1130 HG23 THR1130 -9.576 -2.199 -5.837 193 H ASP1131 HN ASP1131 -4.713 -3.722 -6.237 194 HA ASP1131 HA ASP1131 -4.985 -6.522 -6.937 195 HB2 ASP1131 HB2 ASP1131 -4.384 -5.151 -9.031 196 HB3 ASP1131 HB1 ASP1131 -2.814 -4.921 -8.273 197 H ASN1132 HN ASN1132 -3.731 -7.743 -5.633 198 HA ASN1132 HA ASN1132 -2.243 -6.448 -3.555 199 HB2 ASN1132 HB2 ASN1132 -2.633 -9.369 -4.232 200 HB3 ASN1132 HB1 ASN1132 -1.755 -8.804 -2.817 201 HD21 ASN1132 HD21 ASN1132 -2.874 -8.053 -1.069 202 HD22 ASN1132 HD22 ASN1132 -4.596 -8.127 -0.932 203 H ASP1133 HN ASP1133 -0.345 -5.509 -4.181 204 HA ASP1133 HA ASP1133 1.462 -7.030 -5.906 205 HB2 ASP1133 HB2 ASP1133 1.617 -4.188 -4.911 206 HB3 ASP1133 HB1 ASP1133 2.876 -4.959 -5.860 207 H CYS1134 HN CYS1134 1.256 -5.673 -2.677 208 HA CYS1134 HA CYS1134 3.857 -6.507 -1.873 209 HB2 CYS1134 HB2 CYS1134 1.439 -5.862 -0.176 210 HB3 CYS1134 HB1 CYS1134 3.102 -5.956 0.388 211 H GLY1135 HN GLY1135 3.738 -7.919 0.388 212 HA2 GLY1135 HA2 GLY1135 3.226 -10.558 -0.594 213 HA3 GLY1135 HA1 GLY1135 3.801 -10.136 1.013 214 H ASP1136 HN ASP1136 1.880 -8.670 2.096 215 HA ASP1136 HA ASP1136 -0.341 -10.548 2.305 216 HB2 ASP1136 HB2 ASP1136 0.393 -8.161 3.982 217 HB3 ASP1136 HB1 ASP1136 -0.976 -9.213 4.299 218 H GLY1137 HN GLY1137 0.432 -7.371 1.208 219 HA2 GLY1137 HA2 GLY1137 -0.940 -6.472 -0.604 220 HA3 GLY1137 HA1 GLY1137 -2.351 -7.067 0.264 221 H SER1138 HN SER1138 0.350 -5.523 1.831 222 HA SER1138 HA SER1138 -1.281 -3.771 3.280 223 HB2 SER1138 HB2 SER1138 0.824 -2.823 4.087 224 HB3 SER1138 HB1 SER1138 0.943 -4.573 3.998 225 HG SER1138 HG SER1138 2.445 -2.723 2.778 226 H ASP1139 HN ASP1139 0.261 -3.415 0.170 227 HA ASP1139 HA ASP1139 0.172 -0.588 0.015 228 HB2 ASP1139 HB2 ASP1139 0.631 -0.822 -2.307 229 HB3 ASP1139 HB1 ASP1139 1.500 -2.119 -1.505 230 H GLU1140 HN GLU1140 -2.186 -3.070 -0.416 231 HA GLU1140 HA GLU1140 -4.089 -1.280 -1.686 232 HB2 GLU1140 HB2 GLU1140 -4.329 -4.138 -0.720 233 HB3 GLU1140 HB1 GLU1140 -5.602 -3.259 -1.556 234 HG2 GLU1140 HG2 GLU1140 -2.878 -3.853 -2.692 235 HG3 GLU1140 HG1 GLU1140 -4.349 -4.765 -3.036 236 H LYS1141 HN LYS1141 -3.377 -2.613 1.470 237 HA LYS1141 HA LYS1141 -5.884 -1.864 2.630 238 HB2 LYS1141 HB2 LYS1141 -5.096 -2.759 4.620 239 HB3 LYS1141 HB1 LYS1141 -4.203 -3.682 3.429 240 HG2 LYS1141 HG2 LYS1141 -2.255 -2.245 3.795 241 HG3 LYS1141 HG1 LYS1141 -3.164 -1.329 4.994 242 HD2 LYS1141 HD2 LYS1141 -3.449 -3.412 6.299 243 HD3 LYS1141 HD1 LYS1141 -2.425 -4.247 5.129 244 HE2 LYS1141 HE2 LYS1141 -1.096 -3.622 7.022 245 HE3 LYS1141 HE1 LYS1141 -0.613 -2.648 5.639 246 HZ1 LYS1141 HZ1 LYS1141 -1.941 -0.827 6.509 247 HZ2 LYS1141 HZ2 LYS1141 -0.784 -1.313 7.638 248 HZ3 LYS1141 HZ3 LYS1141 -2.399 -1.763 7.839 249 H ASN1142 HN ASN1142 -2.784 -0.381 2.188 250 HA ASN1142 HA ASN1142 -3.321 1.844 3.953 251 HB2 ASN1142 HB2 ASN1142 -1.017 0.883 3.455 252 HB3 ASN1142 HB1 ASN1142 -1.146 1.618 1.862 253 HD21 ASN1142 HD21 ASN1142 -1.075 3.871 1.681 254 HD22 ASN1142 HD22 ASN1142 -0.476 4.867 2.961 255 H CYS1143 HN CYS1143 -5.428 2.188 2.770 256 HA CYS1143 HA CYS1143 -5.244 4.408 1.003 257 HB2 CYS1143 HB2 CYS1143 -4.690 2.558 -0.563 258 HB3 CYS1143 HB1 CYS1143 -6.237 1.812 -0.196 259 H ASN1144 HN ASN1144 -6.838 5.583 1.784 260 HA ASN1144 HA ASN1144 -8.707 6.156 2.949 261 HB2 ASN1144 HB2 ASN1144 -10.753 5.898 1.648 262 HB3 ASN1144 HB1 ASN1144 -9.402 6.331 0.615 263 HD21 ASN1144 HD21 ASN1144 -8.648 4.835 -0.892 264 HD22 ASN1144 HD22 ASN1144 -9.555 3.430 -1.326 265 H SER1145 HN SER1145 -7.858 4.477 4.573 266 HA SER1145 HA SER1145 -9.312 2.051 4.872 267 HB2 SER1145 HB2 SER1145 -8.255 2.092 7.193 268 HB3 SER1145 HB1 SER1145 -7.139 2.110 5.826 269 HG SER1145 HG SER1145 -6.542 4.088 6.314 270 H THR1146 HN THR1146 -9.174 4.513 7.390 271 HA THR1146 HA THR1146 -11.988 4.022 7.935 272 HB THR1146 HB THR1146 -11.525 5.427 9.988 273 HG1 THR1146 HG1 THR1146 -8.849 5.062 9.947 274 HG21 THR1146 HG21 THR1146 -9.878 2.945 9.495 275 HG22 THR1146 HG22 THR1146 -11.531 3.012 10.108 276 HG23 THR1146 HG23 THR1146 -10.202 3.634 11.088 277 H GLU1147 HN GLU1147 -12.714 5.125 5.987 278 HA GLU1147 HA GLU1147 -12.407 8.020 6.049 279 HB2 GLU1147 HB2 GLU1147 -13.790 7.863 3.873 280 HB3 GLU1147 HB1 GLU1147 -12.118 7.337 3.860 281 HG2 GLU1147 HG2 GLU1147 -13.288 5.740 2.621 282 HG3 GLU1147 HG1 GLU1147 -12.994 4.985 4.183 283 H THR1148 HN THR1148 -14.593 5.615 6.956 284 HA THR1148 HA THR1148 -16.538 5.644 8.110 285 HB THR1148 HB THR1148 -16.163 8.600 8.559 286 HG1 THR1148 HG1 THR1148 -14.165 7.827 9.057 287 HG21 THR1148 HG21 THR1148 -17.163 6.377 10.346 288 HG22 THR1148 HG22 THR1148 -18.183 7.526 9.485 289 HG23 THR1148 HG23 THR1148 -17.098 8.090 10.755 Start of MODEL 8 1 H1 THR1103 HT1 THR1103 25.874 -0.390 12.055 2 H2 THR1103 HT2 THR1103 25.177 -1.510 13.109 3 H3 THR1103 HT3 THR1103 25.809 -0.063 13.711 4 HA THR1103 HA THR1103 23.400 -0.005 13.624 5 HB THR1103 HB THR1103 24.665 1.828 11.575 6 HG1 THR1103 HG1 THR1103 24.456 2.187 14.404 7 HG21 THR1103 HG21 THR1103 22.219 1.964 11.658 8 HG22 THR1103 HG22 THR1103 22.956 3.429 12.307 9 HG23 THR1103 HG23 THR1103 22.287 2.219 13.402 10 H HIS1104 HN HIS1104 21.956 -1.371 12.758 11 HA HIS1104 HA HIS1104 22.064 -2.206 10.017 12 HB2 HIS1104 HB2 HIS1104 20.115 -2.662 12.260 13 HB3 HIS1104 HB1 HIS1104 19.732 -3.159 10.617 14 HD1 HIS1104 HD1 HIS1104 21.865 -4.039 13.542 15 HD2 HIS1104 HD2 HIS1104 21.249 -5.313 9.634 16 HE1 HIS1104 HE1 HIS1104 22.990 -6.280 13.376 17 HE2 HIS1104 HE2 HIS1104 22.442 -7.105 11.060 18 H ALA1105 HN ALA1105 20.869 -1.551 8.319 19 HA ALA1105 HA ALA1105 19.524 1.026 8.656 20 HB1 ALA1105 HB1 ALA1105 21.386 0.953 7.087 21 HB2 ALA1105 HB2 ALA1105 19.870 1.292 6.251 22 HB3 ALA1105 HB3 ALA1105 20.577 -0.321 6.177 23 HA PRO1106 HA PRO1106 15.508 -0.825 7.868 24 HB2 PRO1106 HB2 PRO1106 14.862 1.915 6.947 25 HB3 PRO1106 HB1 PRO1106 14.082 0.935 8.192 26 HG2 PRO1106 HG2 PRO1106 15.612 3.019 8.845 27 HG3 PRO1106 HG1 PRO1106 15.616 1.534 9.816 28 HD2 PRO1106 HD2 PRO1106 17.617 2.490 7.806 29 HD3 PRO1106 HD1 PRO1106 17.881 1.694 9.371 30 H ALA1107 HN ALA1107 13.981 -0.926 6.018 31 HA ALA1107 HA ALA1107 15.448 -1.262 3.559 32 HB1 ALA1107 HB1 ALA1107 13.793 -2.919 4.265 33 HB2 ALA1107 HB2 ALA1107 13.380 -2.226 2.697 34 HB3 ALA1107 HB3 ALA1107 12.523 -1.704 4.147 35 H SER1108 HN SER1108 15.988 0.877 3.005 36 HA SER1108 HA SER1108 13.863 2.774 2.510 37 HB2 SER1108 HB2 SER1108 15.818 4.203 1.699 38 HB3 SER1108 HB1 SER1108 15.838 3.739 3.397 39 HG SER1108 HG SER1108 17.760 3.392 1.717 40 H CYS1109 HN CYS1109 12.638 2.022 0.838 41 HA CYS1109 HA CYS1109 13.780 1.059 -1.607 42 HB2 CYS1109 HB2 CYS1109 10.946 1.974 -1.097 43 HB3 CYS1109 HB1 CYS1109 11.505 0.946 -2.410 44 H LEU1110 HN LEU1110 12.486 2.228 -3.634 45 HA LEU1110 HA LEU1110 14.002 4.520 -4.171 46 HB2 LEU1110 HB2 LEU1110 12.671 2.827 -5.689 47 HB3 LEU1110 HB1 LEU1110 11.408 4.018 -5.546 48 HG LEU1110 HG LEU1110 12.908 5.723 -6.512 49 HD11 LEU1110 HD11 LEU1110 15.056 4.774 -5.883 50 HD12 LEU1110 HD12 LEU1110 14.966 4.991 -7.630 51 HD13 LEU1110 HD13 LEU1110 14.768 3.385 -6.930 52 HD21 LEU1110 HD21 LEU1110 12.536 3.234 -8.176 53 HD22 LEU1110 HD22 LEU1110 12.776 4.870 -8.793 54 HD23 LEU1110 HD23 LEU1110 11.315 4.473 -7.885 55 H ASP1111 HN ASP1111 13.185 6.705 -4.657 56 HA ASP1111 HA ASP1111 11.670 7.837 -2.573 57 HB2 ASP1111 HB2 ASP1111 12.079 9.026 -5.326 58 HB3 ASP1111 HB1 ASP1111 11.742 9.896 -3.833 59 H THR1112 HN THR1112 10.840 6.809 -5.824 60 HA THR1112 HA THR1112 8.044 7.518 -5.417 61 HB THR1112 HB THR1112 7.881 6.728 -7.846 62 HG1 THR1112 HG1 THR1112 9.685 6.163 -8.837 63 HG21 THR1112 HG21 THR1112 8.810 8.828 -8.706 64 HG22 THR1112 HG22 THR1112 9.671 9.073 -7.186 65 HG23 THR1112 HG23 THR1112 7.907 9.093 -7.215 66 H GLN1113 HN GLN1113 9.867 4.984 -4.545 67 HA GLN1113 HA GLN1113 7.851 2.973 -5.210 68 HB2 GLN1113 HB2 GLN1113 10.657 2.851 -4.197 69 HB3 GLN1113 HB1 GLN1113 9.576 1.504 -3.903 70 HG2 GLN1113 HG2 GLN1113 9.195 1.329 -6.330 71 HG3 GLN1113 HG1 GLN1113 10.362 2.617 -6.584 72 HE21 GLN1113 HE21 GLN1113 11.622 1.111 -7.830 73 HE22 GLN1113 HE22 GLN1113 12.603 -0.072 -7.029 74 H TYR1114 HN TYR1114 7.110 1.539 -3.532 75 HA TYR1114 HA TYR1114 6.801 2.895 -0.932 76 HB2 TYR1114 HB2 TYR1114 4.694 2.673 -2.214 77 HB3 TYR1114 HB1 TYR1114 4.949 0.938 -2.299 78 HD1 TYR1114 HD1 TYR1114 4.732 3.616 0.306 79 HD2 TYR1114 HD2 TYR1114 3.815 -0.388 -0.808 80 HE1 TYR1114 HE1 TYR1114 3.525 3.307 2.424 81 HE2 TYR1114 HE2 TYR1114 2.602 -0.708 1.307 82 HH TYR1114 HH TYR1114 1.806 1.898 3.381 83 H THR1115 HN THR1115 6.765 1.561 0.929 84 HA THR1115 HA THR1115 8.197 -0.991 0.609 85 HB THR1115 HB THR1115 8.016 0.637 3.144 86 HG1 THR1115 HG1 THR1115 9.523 1.068 0.877 87 HG21 THR1115 HG21 THR1115 10.013 -0.640 3.770 88 HG22 THR1115 HG22 THR1115 9.960 -1.487 2.224 89 HG23 THR1115 HG23 THR1115 8.664 -1.713 3.399 90 H CYS1116 HN CYS1116 6.726 -2.593 0.629 91 HA CYS1116 HA CYS1116 4.254 -2.396 2.063 92 HB2 CYS1116 HB2 CYS1116 5.570 -4.658 0.563 93 HB3 CYS1116 HB1 CYS1116 3.993 -4.802 1.324 94 H ASP1117 HN ASP1117 3.612 -4.477 3.426 95 HA ASP1117 HA ASP1117 5.077 -4.309 5.829 96 HB2 ASP1117 HB2 ASP1117 3.551 -5.868 6.737 97 HB3 ASP1117 HB1 ASP1117 2.626 -4.978 5.536 98 H ASN1118 HN ASN1118 5.294 -6.448 3.112 99 HA ASN1118 HA ASN1118 7.016 -8.349 4.417 100 HB2 ASN1118 HB2 ASN1118 5.391 -8.821 2.507 101 HB3 ASN1118 HB1 ASN1118 6.578 -8.052 1.470 102 HD21 ASN1118 HD21 ASN1118 5.859 -10.812 3.437 103 HD22 ASN1118 HD22 ASN1118 7.146 -11.810 2.860 104 H HIS1119 HN HIS1119 7.584 -5.317 3.835 105 HA HIS1119 HA HIS1119 9.351 -3.977 3.382 106 HB2 HIS1119 HB2 HIS1119 10.840 -6.577 3.749 107 HB3 HIS1119 HB1 HIS1119 11.661 -5.056 3.419 108 HD1 HIS1119 HD1 HIS1119 9.977 -6.965 6.118 109 HD2 HIS1119 HD2 HIS1119 11.543 -3.161 5.526 110 HE1 HIS1119 HE1 HIS1119 10.156 -5.944 8.406 111 HE2 HIS1119 HE2 HIS1119 11.317 -3.740 8.032 112 H GLN1120 HN GLN1120 7.834 -5.315 1.281 113 HA GLN1120 HA GLN1120 9.720 -5.754 -0.874 114 HB2 GLN1120 HB2 GLN1120 7.678 -7.136 -0.666 115 HB3 GLN1120 HB1 GLN1120 6.692 -5.699 -0.873 116 HG2 GLN1120 HG2 GLN1120 6.726 -6.853 -2.939 117 HG3 GLN1120 HG1 GLN1120 7.713 -5.405 -3.125 118 HE21 GLN1120 HE21 GLN1120 7.695 -7.938 -4.601 119 HE22 GLN1120 HE22 GLN1120 9.312 -8.545 -4.513 120 H CYS1121 HN CYS1121 10.307 -4.265 -2.337 121 HA CYS1121 HA CYS1121 9.176 -1.590 -2.082 122 HB2 CYS1121 HB2 CYS1121 11.600 -2.518 -3.646 123 HB3 CYS1121 HB1 CYS1121 11.113 -0.852 -3.368 124 H ILE1122 HN ILE1122 7.338 -1.454 -3.230 125 HA ILE1122 HA ILE1122 7.422 -2.215 -6.079 126 HB ILE1122 HB ILE1122 4.963 -2.079 -6.043 127 HG12 ILE1122 HG12 ILE1122 5.275 -1.810 -3.051 128 HG13 ILE1122 HG11 ILE1122 4.833 -0.487 -4.122 129 HG21 ILE1122 HG21 ILE1122 6.181 -3.964 -4.033 130 HG22 ILE1122 HG22 ILE1122 6.032 -4.226 -5.771 131 HG23 ILE1122 HG23 ILE1122 4.586 -4.150 -4.764 132 HD11 ILE1122 HD11 ILE1122 2.814 -1.685 -4.763 133 HD12 ILE1122 HD12 ILE1122 2.888 -1.417 -3.019 134 HD13 ILE1122 HD13 ILE1122 3.257 -3.009 -3.685 135 H SER1123 HN SER1123 5.933 -0.717 -7.424 136 HA SER1123 HA SER1123 6.816 1.981 -7.138 137 HB2 SER1123 HB2 SER1123 6.438 1.270 -9.367 138 HB3 SER1123 HB1 SER1123 4.857 0.599 -8.972 139 HG SER1123 HG SER1123 4.128 2.449 -9.633 140 H LYS1124 HN LYS1124 5.728 3.758 -6.358 141 HA LYS1124 HA LYS1124 3.608 3.383 -4.528 142 HB2 LYS1124 HB2 LYS1124 4.854 5.817 -5.765 143 HB3 LYS1124 HB1 LYS1124 3.420 5.961 -4.759 144 HG2 LYS1124 HG2 LYS1124 4.599 4.967 -2.888 145 HG3 LYS1124 HG1 LYS1124 6.028 4.727 -3.894 146 HD2 LYS1124 HD2 LYS1124 6.274 7.124 -4.170 147 HD3 LYS1124 HD1 LYS1124 4.793 7.405 -3.253 148 HE2 LYS1124 HE2 LYS1124 5.804 6.497 -1.260 149 HE3 LYS1124 HE1 LYS1124 7.250 6.041 -2.158 150 HZ1 LYS1124 HZ1 LYS1124 7.548 8.093 -0.887 151 HZ2 LYS1124 HZ2 LYS1124 6.306 8.830 -1.764 152 HZ3 LYS1124 HZ3 LYS1124 7.728 8.358 -2.547 153 H ASN1125 HN ASN1125 3.660 3.691 -7.922 154 HA ASN1125 HA ASN1125 0.981 4.695 -8.217 155 HB2 ASN1125 HB2 ASN1125 2.702 3.219 -10.224 156 HB3 ASN1125 HB1 ASN1125 1.223 4.097 -10.586 157 HD21 ASN1125 HD21 ASN1125 4.599 4.330 -9.877 158 HD22 ASN1125 HD22 ASN1125 4.759 6.026 -10.188 159 H TRP1126 HN TRP1126 2.440 1.667 -7.569 160 HA TRP1126 HA TRP1126 0.194 0.094 -8.529 161 HB2 TRP1126 HB2 TRP1126 2.714 -0.708 -7.054 162 HB3 TRP1126 HB1 TRP1126 1.488 -1.828 -7.619 163 HD1 TRP1126 HD1 TRP1126 1.543 0.447 -10.351 164 HE1 TRP1126 HE1 TRP1126 3.193 -0.254 -12.198 165 HE3 TRP1126 HE3 TRP1126 4.320 -2.943 -7.719 166 HZ2 TRP1126 HZ2 TRP1126 5.379 -2.011 -12.500 167 HZ3 TRP1126 HZ3 TRP1126 6.173 -4.089 -8.860 168 HH2 TRP1126 HH2 TRP1126 6.690 -3.633 -11.202 169 H VAL1127 HN VAL1127 0.992 1.816 -5.791 170 HA VAL1127 HA VAL1127 -0.173 0.187 -3.778 171 HB VAL1127 HB VAL1127 0.244 3.185 -3.836 172 HG11 VAL1127 HG11 VAL1127 -1.421 2.561 -2.169 173 HG12 VAL1127 HG12 VAL1127 0.076 3.077 -1.394 174 HG13 VAL1127 HG13 VAL1127 -0.317 1.362 -1.499 175 HG21 VAL1127 HG21 VAL1127 2.261 2.753 -2.569 176 HG22 VAL1127 HG22 VAL1127 2.306 1.864 -4.092 177 HG23 VAL1127 HG23 VAL1127 1.933 1.021 -2.589 178 H CYS1128 HN CYS1128 -2.219 -0.290 -3.505 179 HA CYS1128 HA CYS1128 -4.488 -0.193 -3.457 180 HB2 CYS1128 HB2 CYS1128 -4.026 1.993 -2.301 181 HB3 CYS1128 HB1 CYS1128 -4.182 2.790 -3.858 182 H ASP1129 HN ASP1129 -3.480 -1.028 -5.749 183 HA ASP1129 HA ASP1129 -5.002 0.383 -7.852 184 HB2 ASP1129 HB2 ASP1129 -3.405 -0.279 -9.450 185 HB3 ASP1129 HB1 ASP1129 -2.441 0.192 -8.055 186 H THR1130 HN THR1130 -5.578 -1.866 -5.842 187 HA THR1130 HA THR1130 -6.734 -3.776 -5.676 188 HB THR1130 HB THR1130 -8.487 -4.288 -7.291 189 HG1 THR1130 HG1 THR1130 -7.055 -2.480 -8.914 190 HG21 THR1130 HG21 THR1130 -8.865 -2.533 -5.637 191 HG22 THR1130 HG22 THR1130 -9.731 -2.196 -7.135 192 HG23 THR1130 HG23 THR1130 -8.240 -1.330 -6.766 193 H ASP1131 HN ASP1131 -4.046 -3.899 -6.827 194 HA ASP1131 HA ASP1131 -4.301 -6.644 -7.841 195 HB2 ASP1131 HB2 ASP1131 -3.662 -5.070 -9.686 196 HB3 ASP1131 HB1 ASP1131 -2.203 -4.680 -8.786 197 H ASN1132 HN ASN1132 -2.862 -8.091 -7.009 198 HA ASN1132 HA ASN1132 -1.520 -7.262 -4.587 199 HB2 ASN1132 HB2 ASN1132 -2.160 -9.923 -5.817 200 HB3 ASN1132 HB1 ASN1132 -1.002 -9.806 -4.496 201 HD21 ASN1132 HD21 ASN1132 -1.708 -9.299 -2.453 202 HD22 ASN1132 HD22 ASN1132 -3.382 -9.281 -2.015 203 H ASP1133 HN ASP1133 -0.099 -5.945 -6.109 204 HA ASP1133 HA ASP1133 2.162 -7.137 -7.301 205 HB2 ASP1133 HB2 ASP1133 3.126 -4.768 -6.279 206 HB3 ASP1133 HB1 ASP1133 2.285 -4.927 -7.819 207 H CYS1134 HN CYS1134 1.585 -5.898 -4.024 208 HA CYS1134 HA CYS1134 3.794 -7.530 -3.031 209 HB2 CYS1134 HB2 CYS1134 1.976 -5.525 -1.696 210 HB3 CYS1134 HB1 CYS1134 3.101 -6.533 -0.796 211 H GLY1135 HN GLY1135 3.507 -9.348 -1.770 212 HA2 GLY1135 HA2 GLY1135 1.434 -11.010 -2.534 213 HA3 GLY1135 HA1 GLY1135 2.478 -11.301 -1.154 214 H ASP1136 HN ASP1136 1.787 -9.464 0.656 215 HA ASP1136 HA ASP1136 -0.784 -10.500 1.466 216 HB2 ASP1136 HB2 ASP1136 1.217 -8.790 2.909 217 HB3 ASP1136 HB1 ASP1136 -0.286 -9.353 3.625 218 H GLY1137 HN GLY1137 0.078 -7.969 -0.363 219 HA2 GLY1137 HA2 GLY1137 -1.057 -6.141 -1.139 220 HA3 GLY1137 HA1 GLY1137 -2.489 -6.864 -0.429 221 H SER1138 HN SER1138 0.420 -5.722 1.240 222 HA SER1138 HA SER1138 -1.171 -4.227 3.086 223 HB2 SER1138 HB2 SER1138 1.240 -3.401 3.748 224 HB3 SER1138 HB1 SER1138 0.739 -5.051 4.100 225 HG SER1138 HG SER1138 2.247 -5.744 2.834 226 H ASP1139 HN ASP1139 0.226 -3.565 0.049 227 HA ASP1139 HA ASP1139 0.371 -0.723 0.312 228 HB2 ASP1139 HB2 ASP1139 0.742 -0.681 -2.032 229 HB3 ASP1139 HB1 ASP1139 1.519 -2.156 -1.467 230 H GLU1140 HN GLU1140 -2.041 -3.073 -0.618 231 HA GLU1140 HA GLU1140 -3.993 -1.206 -1.522 232 HB2 GLU1140 HB2 GLU1140 -4.362 -4.042 -0.530 233 HB3 GLU1140 HB1 GLU1140 -5.541 -3.108 -1.437 234 HG2 GLU1140 HG2 GLU1140 -2.830 -3.904 -2.477 235 HG3 GLU1140 HG1 GLU1140 -4.322 -4.785 -2.791 236 H LYS1141 HN LYS1141 -3.320 -2.845 1.538 237 HA LYS1141 HA LYS1141 -5.592 -1.884 2.927 238 HB2 LYS1141 HB2 LYS1141 -4.675 -2.835 4.830 239 HB3 LYS1141 HB1 LYS1141 -3.886 -3.767 3.574 240 HG2 LYS1141 HG2 LYS1141 -1.888 -2.392 3.794 241 HG3 LYS1141 HG1 LYS1141 -2.689 -1.416 5.023 242 HD2 LYS1141 HD2 LYS1141 -2.908 -3.428 6.432 243 HD3 LYS1141 HD1 LYS1141 -2.026 -4.349 5.209 244 HE2 LYS1141 HE2 LYS1141 -0.543 -3.659 7.006 245 HE3 LYS1141 HE1 LYS1141 -0.095 -2.889 5.491 246 HZ1 LYS1141 HZ1 LYS1141 -0.028 -1.338 7.340 247 HZ2 LYS1141 HZ2 LYS1141 -1.660 -1.616 7.669 248 HZ3 LYS1141 HZ3 LYS1141 -1.206 -0.875 6.222 249 H ASN1142 HN ASN1142 -2.485 -0.552 2.182 250 HA ASN1142 HA ASN1142 -2.740 1.724 3.942 251 HB2 ASN1142 HB2 ASN1142 -0.544 0.651 3.181 252 HB3 ASN1142 HB1 ASN1142 -0.830 1.406 1.620 253 HD21 ASN1142 HD21 ASN1142 -0.656 3.643 1.428 254 HD22 ASN1142 HD22 ASN1142 0.116 4.610 2.639 255 H CYS1143 HN CYS1143 -4.984 1.919 2.874 256 HA CYS1143 HA CYS1143 -5.146 4.180 1.248 257 HB2 CYS1143 HB2 CYS1143 -4.282 2.850 -0.561 258 HB3 CYS1143 HB1 CYS1143 -5.417 1.549 -0.218 259 H ASN1144 HN ASN1144 -6.635 1.068 2.023 260 HA ASN1144 HA ASN1144 -9.046 2.438 2.880 261 HB2 ASN1144 HB2 ASN1144 -10.542 1.059 1.526 262 HB3 ASN1144 HB1 ASN1144 -9.463 1.980 0.485 263 HD21 ASN1144 HD21 ASN1144 -7.944 0.909 -0.746 264 HD22 ASN1144 HD22 ASN1144 -7.931 -0.808 -0.936 265 H SER1145 HN SER1145 -10.308 1.227 4.289 266 HA SER1145 HA SER1145 -9.040 -1.137 5.409 267 HB2 SER1145 HB2 SER1145 -11.371 0.396 6.445 268 HB3 SER1145 HB1 SER1145 -10.449 -0.811 7.320 269 HG SER1145 HG SER1145 -8.648 0.849 6.625 270 H THR1146 HN THR1146 -12.139 -0.029 4.182 271 HA THR1146 HA THR1146 -13.192 -2.736 4.262 272 HB THR1146 HB THR1146 -15.327 -1.640 3.611 273 HG1 THR1146 HG1 THR1146 -14.011 0.222 2.614 274 HG21 THR1146 HG21 THR1146 -13.811 -0.540 5.975 275 HG22 THR1146 HG22 THR1146 -14.885 -1.941 5.944 276 HG23 THR1146 HG23 THR1146 -15.549 -0.319 5.740 277 H GLU1147 HN GLU1147 -11.603 -3.414 2.603 278 HA GLU1147 HA GLU1147 -11.698 -2.434 -0.042 279 HB2 GLU1147 HB2 GLU1147 -10.397 -4.344 -0.668 280 HB3 GLU1147 HB1 GLU1147 -9.837 -3.809 0.905 281 HG2 GLU1147 HG2 GLU1147 -11.682 -6.138 0.409 282 HG3 GLU1147 HG1 GLU1147 -9.952 -6.248 0.725 283 H THR1148 HN THR1148 -13.552 -4.849 1.667 284 HA THR1148 HA THR1148 -14.907 -5.786 -0.697 285 HB THR1148 HB THR1148 -16.435 -6.819 1.180 286 HG1 THR1148 HG1 THR1148 -14.030 -6.310 2.646 287 HG21 THR1148 HG21 THR1148 -14.844 -8.683 1.411 288 HG22 THR1148 HG22 THR1148 -13.565 -7.661 0.756 289 HG23 THR1148 HG23 THR1148 -14.940 -8.111 -0.253 Start of MODEL 9 1 H1 THR1103 HT1 THR1103 23.318 -2.074 12.879 2 H2 THR1103 HT2 THR1103 24.109 -1.133 11.722 3 H3 THR1103 HT3 THR1103 24.972 -1.761 13.032 4 HA THR1103 HA THR1103 25.396 -2.975 10.988 5 HB THR1103 HB THR1103 25.665 -4.170 13.079 6 HG1 THR1103 HG1 THR1103 25.987 -5.672 11.592 7 HG21 THR1103 HG21 THR1103 23.847 -5.503 14.053 8 HG22 THR1103 HG22 THR1103 22.726 -4.841 12.861 9 HG23 THR1103 HG23 THR1103 23.464 -3.782 14.063 10 H HIS1104 HN HIS1104 24.666 -3.804 9.131 11 HA HIS1104 HA HIS1104 23.311 -4.514 7.470 12 HB2 HIS1104 HB2 HIS1104 21.646 -5.348 9.830 13 HB3 HIS1104 HB1 HIS1104 21.116 -5.632 8.175 14 HD1 HIS1104 HD1 HIS1104 23.866 -6.615 10.587 15 HD2 HIS1104 HD2 HIS1104 22.305 -7.746 6.902 16 HE1 HIS1104 HE1 HIS1104 24.992 -8.790 10.009 17 HE2 HIS1104 HE2 HIS1104 23.974 -9.494 7.817 18 H ALA1105 HN ALA1105 22.981 -2.611 6.476 19 HA ALA1105 HA ALA1105 21.208 -0.581 7.261 20 HB1 ALA1105 HB1 ALA1105 23.027 -0.248 5.660 21 HB2 ALA1105 HB2 ALA1105 21.479 0.261 4.989 22 HB3 ALA1105 HB3 ALA1105 22.192 -1.273 4.495 23 HA PRO1106 HA PRO1106 17.281 -2.591 6.494 24 HB2 PRO1106 HB2 PRO1106 16.403 0.247 6.305 25 HB3 PRO1106 HB1 PRO1106 15.751 -1.068 7.287 26 HG2 PRO1106 HG2 PRO1106 17.226 0.838 8.403 27 HG3 PRO1106 HG1 PRO1106 17.399 -0.853 8.909 28 HD2 PRO1106 HD2 PRO1106 19.170 0.793 7.153 29 HD3 PRO1106 HD1 PRO1106 19.602 -0.426 8.370 30 H ALA1107 HN ALA1107 16.037 -3.028 4.720 31 HA ALA1107 HA ALA1107 17.009 -2.108 2.179 32 HB1 ALA1107 HB1 ALA1107 15.370 -3.660 1.233 33 HB2 ALA1107 HB2 ALA1107 14.686 -3.916 2.838 34 HB3 ALA1107 HB3 ALA1107 16.336 -4.431 2.491 35 H SER1108 HN SER1108 16.480 0.167 2.645 36 HA SER1108 HA SER1108 13.732 0.982 2.592 37 HB2 SER1108 HB2 SER1108 14.802 3.274 2.248 38 HB3 SER1108 HB1 SER1108 15.236 2.429 3.733 39 HG SER1108 HG SER1108 16.790 2.268 1.365 40 H CYS1109 HN CYS1109 12.507 1.458 0.857 41 HA CYS1109 HA CYS1109 13.530 0.669 -1.713 42 HB2 CYS1109 HB2 CYS1109 10.795 1.687 -0.934 43 HB3 CYS1109 HB1 CYS1109 11.221 0.984 -2.490 44 H LEU1110 HN LEU1110 12.600 2.059 -3.623 45 HA LEU1110 HA LEU1110 14.136 4.370 -3.859 46 HB2 LEU1110 HB2 LEU1110 12.764 2.813 -5.550 47 HB3 LEU1110 HB1 LEU1110 11.614 4.115 -5.406 48 HG LEU1110 HG LEU1110 13.246 5.705 -6.259 49 HD11 LEU1110 HD11 LEU1110 15.069 3.309 -6.427 50 HD12 LEU1110 HD12 LEU1110 15.296 4.740 -5.422 51 HD13 LEU1110 HD13 LEU1110 15.385 4.873 -7.176 52 HD21 LEU1110 HD21 LEU1110 13.374 4.825 -8.544 53 HD22 LEU1110 HD22 LEU1110 11.794 4.524 -7.816 54 HD23 LEU1110 HD23 LEU1110 12.971 3.216 -7.941 55 H ASP1111 HN ASP1111 13.454 6.600 -4.078 56 HA ASP1111 HA ASP1111 11.739 7.488 -2.001 57 HB2 ASP1111 HB2 ASP1111 12.815 9.030 -4.379 58 HB3 ASP1111 HB1 ASP1111 12.068 9.743 -2.954 59 H THR1112 HN THR1112 11.284 6.738 -5.349 60 HA THR1112 HA THR1112 8.550 7.773 -5.307 61 HB THR1112 HB THR1112 8.632 6.977 -7.767 62 HG1 THR1112 HG1 THR1112 10.458 6.120 -8.387 63 HG21 THR1112 HG21 THR1112 10.427 9.230 -6.852 64 HG22 THR1112 HG22 THR1112 8.685 9.334 -7.087 65 HG23 THR1112 HG23 THR1112 9.744 9.045 -8.466 66 H GLN1113 HN GLN1113 10.058 5.027 -4.369 67 HA GLN1113 HA GLN1113 7.925 3.249 -5.291 68 HB2 GLN1113 HB2 GLN1113 10.613 2.786 -4.048 69 HB3 GLN1113 HB1 GLN1113 9.385 1.535 -4.011 70 HG2 GLN1113 HG2 GLN1113 9.250 1.663 -6.467 71 HG3 GLN1113 HG1 GLN1113 10.581 2.809 -6.454 72 HE21 GLN1113 HE21 GLN1113 10.428 0.181 -7.675 73 HE22 GLN1113 HE22 GLN1113 11.724 -0.740 -6.990 74 H TYR1114 HN TYR1114 7.013 1.769 -3.733 75 HA TYR1114 HA TYR1114 6.703 2.989 -1.072 76 HB2 TYR1114 HB2 TYR1114 4.600 2.738 -2.374 77 HB3 TYR1114 HB1 TYR1114 4.898 1.008 -2.462 78 HD1 TYR1114 HD1 TYR1114 4.587 3.706 0.092 79 HD2 TYR1114 HD2 TYR1114 3.885 -0.368 -0.907 80 HE1 TYR1114 HE1 TYR1114 3.437 3.384 2.242 81 HE2 TYR1114 HE2 TYR1114 2.730 -0.703 1.240 82 HH TYR1114 HH TYR1114 1.813 1.896 3.258 83 H THR1115 HN THR1115 6.794 1.657 0.731 84 HA THR1115 HA THR1115 8.188 -0.903 0.324 85 HB THR1115 HB THR1115 8.291 0.790 2.825 86 HG1 THR1115 HG1 THR1115 9.199 1.777 0.807 87 HG21 THR1115 HG21 THR1115 10.057 -1.436 1.794 88 HG22 THR1115 HG22 THR1115 8.881 -1.570 3.101 89 HG23 THR1115 HG23 THR1115 10.301 -0.543 3.293 90 H CYS1116 HN CYS1116 6.593 -2.394 0.426 91 HA CYS1116 HA CYS1116 4.283 -2.154 2.035 92 HB2 CYS1116 HB2 CYS1116 5.541 -4.495 0.619 93 HB3 CYS1116 HB1 CYS1116 4.036 -4.636 1.519 94 H ASP1117 HN ASP1117 3.693 -4.008 3.635 95 HA ASP1117 HA ASP1117 5.091 -3.400 5.957 96 HB2 ASP1117 HB2 ASP1117 2.764 -4.208 5.917 97 HB3 ASP1117 HB1 ASP1117 3.330 -5.812 5.471 98 H ASN1118 HN ASN1118 5.304 -6.365 3.987 99 HA ASN1118 HA ASN1118 7.433 -7.355 5.705 100 HB2 ASN1118 HB2 ASN1118 6.037 -8.558 3.319 101 HB3 ASN1118 HB1 ASN1118 7.414 -9.320 4.104 102 HD21 ASN1118 HD21 ASN1118 4.064 -8.507 4.342 103 HD22 ASN1118 HD22 ASN1118 3.730 -9.447 5.762 104 H HIS1119 HN HIS1119 7.828 -4.949 4.110 105 HA HIS1119 HA HIS1119 9.507 -3.916 3.010 106 HB2 HIS1119 HB2 HIS1119 10.960 -6.433 3.801 107 HB3 HIS1119 HB1 HIS1119 11.752 -5.101 2.967 108 HD1 HIS1119 HD1 HIS1119 12.744 -5.880 5.713 109 HD2 HIS1119 HD2 HIS1119 9.805 -3.012 5.078 110 HE1 HIS1119 HE1 HIS1119 12.765 -4.424 7.763 111 HE2 HIS1119 HE2 HIS1119 10.899 -2.768 7.405 112 H GLN1120 HN GLN1120 7.867 -4.528 1.191 113 HA GLN1120 HA GLN1120 9.524 -5.718 -0.928 114 HB2 GLN1120 HB2 GLN1120 7.453 -6.998 -0.529 115 HB3 GLN1120 HB1 GLN1120 6.506 -5.551 -0.836 116 HG2 GLN1120 HG2 GLN1120 6.494 -6.981 -2.772 117 HG3 GLN1120 HG1 GLN1120 7.353 -5.487 -3.130 118 HE21 GLN1120 HE21 GLN1120 7.466 -8.136 -4.385 119 HE22 GLN1120 HE22 GLN1120 9.131 -8.603 -4.340 120 H CYS1121 HN CYS1121 10.124 -4.419 -2.514 121 HA CYS1121 HA CYS1121 9.248 -1.651 -2.420 122 HB2 CYS1121 HB2 CYS1121 11.459 -3.001 -3.977 123 HB3 CYS1121 HB1 CYS1121 11.117 -1.275 -4.022 124 H ILE1122 HN ILE1122 7.534 -1.123 -3.539 125 HA ILE1122 HA ILE1122 7.324 -2.073 -6.317 126 HB ILE1122 HB ILE1122 4.883 -2.033 -6.140 127 HG12 ILE1122 HG12 ILE1122 5.350 -1.635 -3.182 128 HG13 ILE1122 HG11 ILE1122 4.723 -0.412 -4.282 129 HG21 ILE1122 HG21 ILE1122 6.282 -3.840 -4.178 130 HG22 ILE1122 HG22 ILE1122 5.965 -4.156 -5.884 131 HG23 ILE1122 HG23 ILE1122 4.627 -4.070 -4.738 132 HD11 ILE1122 HD11 ILE1122 3.405 -3.030 -3.604 133 HD12 ILE1122 HD12 ILE1122 2.777 -1.815 -4.721 134 HD13 ILE1122 HD13 ILE1122 2.939 -1.436 -3.005 135 H SER1123 HN SER1123 5.854 -0.601 -7.598 136 HA SER1123 HA SER1123 6.650 2.114 -7.296 137 HB2 SER1123 HB2 SER1123 6.258 1.350 -9.515 138 HB3 SER1123 HB1 SER1123 4.677 0.699 -9.093 139 HG SER1123 HG SER1123 5.157 3.454 -8.795 140 H LYS1124 HN LYS1124 5.466 3.878 -6.575 141 HA LYS1124 HA LYS1124 3.380 3.403 -4.711 142 HB2 LYS1124 HB2 LYS1124 4.430 5.936 -5.966 143 HB3 LYS1124 HB1 LYS1124 3.109 5.935 -4.806 144 HG2 LYS1124 HG2 LYS1124 4.589 4.872 -3.154 145 HG3 LYS1124 HG1 LYS1124 5.915 4.956 -4.315 146 HD2 LYS1124 HD2 LYS1124 5.717 7.393 -4.367 147 HD3 LYS1124 HD1 LYS1124 4.383 7.313 -3.216 148 HE2 LYS1124 HE2 LYS1124 5.907 6.268 -1.578 149 HE3 LYS1124 HE1 LYS1124 7.230 6.451 -2.728 150 HZ1 LYS1124 HZ1 LYS1124 6.854 8.861 -2.667 151 HZ2 LYS1124 HZ2 LYS1124 7.264 8.242 -1.149 152 HZ3 LYS1124 HZ3 LYS1124 5.658 8.644 -1.491 153 H ASN1125 HN ASN1125 3.429 3.585 -8.077 154 HA ASN1125 HA ASN1125 0.700 4.433 -8.430 155 HB2 ASN1125 HB2 ASN1125 2.634 3.065 -10.318 156 HB3 ASN1125 HB1 ASN1125 1.012 3.574 -10.770 157 HD21 ASN1125 HD21 ASN1125 1.724 4.981 -12.326 158 HD22 ASN1125 HD22 ASN1125 2.527 6.465 -11.954 159 H TRP1126 HN TRP1126 2.341 1.561 -7.608 160 HA TRP1126 HA TRP1126 0.197 -0.205 -8.449 161 HB2 TRP1126 HB2 TRP1126 2.789 -0.718 -6.973 162 HB3 TRP1126 HB1 TRP1126 1.623 -1.971 -7.369 163 HD1 TRP1126 HD1 TRP1126 1.621 0.237 -10.254 164 HE1 TRP1126 HE1 TRP1126 3.172 -0.637 -12.114 165 HE3 TRP1126 HE3 TRP1126 4.261 -3.218 -7.564 166 HZ2 TRP1126 HZ2 TRP1126 5.238 -2.528 -12.400 167 HZ3 TRP1126 HZ3 TRP1126 6.008 -4.515 -8.707 168 HH2 TRP1126 HH2 TRP1126 6.484 -4.176 -11.077 169 H VAL1127 HN VAL1127 0.983 1.700 -5.784 170 HA VAL1127 HA VAL1127 -0.158 0.141 -3.699 171 HB VAL1127 HB VAL1127 0.232 3.137 -3.886 172 HG11 VAL1127 HG11 VAL1127 -1.426 2.589 -2.194 173 HG12 VAL1127 HG12 VAL1127 0.074 3.120 -1.435 174 HG13 VAL1127 HG13 VAL1127 -0.331 1.405 -1.480 175 HG21 VAL1127 HG21 VAL1127 2.301 1.834 -4.089 176 HG22 VAL1127 HG22 VAL1127 1.933 1.030 -2.564 177 HG23 VAL1127 HG23 VAL1127 2.248 2.765 -2.593 178 H CYS1128 HN CYS1128 -2.216 -0.345 -3.431 179 HA CYS1128 HA CYS1128 -4.484 -0.285 -3.450 180 HB2 CYS1128 HB2 CYS1128 -4.132 1.894 -2.290 181 HB3 CYS1128 HB1 CYS1128 -4.178 2.700 -3.853 182 H ASP1129 HN ASP1129 -3.389 -1.121 -5.722 183 HA ASP1129 HA ASP1129 -4.965 0.173 -7.858 184 HB2 ASP1129 HB2 ASP1129 -3.341 -0.445 -9.442 185 HB3 ASP1129 HB1 ASP1129 -2.391 0.073 -8.054 186 H THR1130 HN THR1130 -5.337 -2.059 -5.762 187 HA THR1130 HA THR1130 -6.409 -4.002 -5.502 188 HB THR1130 HB THR1130 -8.259 -4.560 -7.001 189 HG1 THR1130 HG1 THR1130 -6.834 -3.057 -8.775 190 HG21 THR1130 HG21 THR1130 -9.516 -2.456 -6.768 191 HG22 THR1130 HG22 THR1130 -8.010 -1.619 -6.394 192 HG23 THR1130 HG23 THR1130 -8.618 -2.868 -5.308 193 H ASP1131 HN ASP1131 -3.807 -4.094 -6.817 194 HA ASP1131 HA ASP1131 -4.123 -6.834 -7.831 195 HB2 ASP1131 HB2 ASP1131 -3.521 -5.216 -9.667 196 HB3 ASP1131 HB1 ASP1131 -2.004 -4.923 -8.820 197 H ASN1132 HN ASN1132 -2.521 -8.292 -7.245 198 HA ASN1132 HA ASN1132 -1.304 -7.676 -4.703 199 HB2 ASN1132 HB2 ASN1132 -1.412 -10.243 -6.293 200 HB3 ASN1132 HB1 ASN1132 -0.674 -10.095 -4.701 201 HD21 ASN1132 HD21 ASN1132 -3.605 -10.312 -6.487 202 HD22 ASN1132 HD22 ASN1132 -4.678 -10.410 -5.130 203 H ASP1133 HN ASP1133 0.319 -6.240 -5.236 204 HA ASP1133 HA ASP1133 2.512 -7.237 -6.901 205 HB2 ASP1133 HB2 ASP1133 3.256 -4.716 -6.078 206 HB3 ASP1133 HB1 ASP1133 2.452 -5.094 -7.595 207 H CYS1134 HN CYS1134 1.573 -6.761 -3.654 208 HA CYS1134 HA CYS1134 4.281 -7.514 -2.781 209 HB2 CYS1134 HB2 CYS1134 2.177 -5.886 -1.355 210 HB3 CYS1134 HB1 CYS1134 3.571 -6.576 -0.531 211 H GLY1135 HN GLY1135 4.461 -9.166 -1.232 212 HA2 GLY1135 HA2 GLY1135 2.391 -11.158 -1.473 213 HA3 GLY1135 HA1 GLY1135 3.941 -11.353 -0.672 214 H ASP1136 HN ASP1136 1.286 -9.081 -0.123 215 HA ASP1136 HA ASP1136 0.358 -10.368 2.225 216 HB2 ASP1136 HB2 ASP1136 0.918 -8.443 3.795 217 HB3 ASP1136 HB1 ASP1136 2.232 -9.538 3.395 218 H GLY1137 HN GLY1137 0.530 -7.458 0.281 219 HA2 GLY1137 HA2 GLY1137 -1.335 -6.443 -0.729 220 HA3 GLY1137 HA1 GLY1137 -2.378 -7.264 0.422 221 H SER1138 HN SER1138 0.404 -5.739 1.698 222 HA SER1138 HA SER1138 -1.167 -4.058 3.357 223 HB2 SER1138 HB2 SER1138 1.071 -3.182 4.111 224 HB3 SER1138 HB1 SER1138 0.900 -4.930 4.205 225 HG SER1138 HG SER1138 2.103 -5.139 2.321 226 H ASP1139 HN ASP1139 0.303 -3.588 0.250 227 HA ASP1139 HA ASP1139 0.362 -0.745 0.279 228 HB2 ASP1139 HB2 ASP1139 0.762 -0.848 -2.044 229 HB3 ASP1139 HB1 ASP1139 1.508 -2.309 -1.410 230 H GLU1140 HN GLU1140 -2.070 -3.147 -0.399 231 HA GLU1140 HA GLU1140 -3.961 -1.281 -1.495 232 HB2 GLU1140 HB2 GLU1140 -4.335 -4.117 -0.508 233 HB3 GLU1140 HB1 GLU1140 -5.520 -3.191 -1.417 234 HG2 GLU1140 HG2 GLU1140 -2.794 -3.970 -2.435 235 HG3 GLU1140 HG1 GLU1140 -4.291 -4.831 -2.786 236 H LYS1141 HN LYS1141 -3.095 -2.448 1.646 237 HA LYS1141 HA LYS1141 -5.664 -1.860 2.814 238 HB2 LYS1141 HB2 LYS1141 -4.870 -2.805 4.788 239 HB3 LYS1141 HB1 LYS1141 -4.082 -3.736 3.534 240 HG2 LYS1141 HG2 LYS1141 -2.041 -2.412 3.872 241 HG3 LYS1141 HG1 LYS1141 -2.850 -1.533 5.170 242 HD2 LYS1141 HD2 LYS1141 -3.218 -3.689 6.338 243 HD3 LYS1141 HD1 LYS1141 -2.281 -4.490 5.078 244 HE2 LYS1141 HE2 LYS1141 -0.325 -3.186 5.669 245 HE3 LYS1141 HE1 LYS1141 -1.253 -2.305 6.880 246 HZ1 LYS1141 HZ1 LYS1141 0.040 -4.045 7.912 247 HZ2 LYS1141 HZ2 LYS1141 -0.659 -5.217 6.912 248 HZ3 LYS1141 HZ3 LYS1141 -1.604 -4.409 8.054 249 H ASN1142 HN ASN1142 -2.631 -0.217 2.427 250 HA ASN1142 HA ASN1142 -3.277 1.746 4.471 251 HB2 ASN1142 HB2 ASN1142 -1.132 2.684 4.133 252 HB3 ASN1142 HB1 ASN1142 -0.902 0.948 4.002 253 HD21 ASN1142 HD21 ASN1142 -0.346 0.058 2.033 254 HD22 ASN1142 HD22 ASN1142 0.168 1.024 0.691 255 H CYS1143 HN CYS1143 -4.811 1.310 1.885 256 HA CYS1143 HA CYS1143 -4.430 3.691 0.342 257 HB2 CYS1143 HB2 CYS1143 -5.299 1.530 -0.574 258 HB3 CYS1143 HB1 CYS1143 -6.786 1.798 0.323 259 H ASN1144 HN ASN1144 -4.576 4.856 2.556 260 HA ASN1144 HA ASN1144 -7.087 6.304 2.491 261 HB2 ASN1144 HB2 ASN1144 -7.345 6.249 4.967 262 HB3 ASN1144 HB1 ASN1144 -7.576 4.670 4.230 263 HD21 ASN1144 HD21 ASN1144 -6.110 3.041 4.633 264 HD22 ASN1144 HD22 ASN1144 -4.918 3.148 5.883 265 H SER1145 HN SER1145 -4.544 6.886 1.570 266 HA SER1145 HA SER1145 -2.891 8.253 3.408 267 HB2 SER1145 HB2 SER1145 -1.826 9.175 1.334 268 HB3 SER1145 HB1 SER1145 -1.989 7.417 1.329 269 HG SER1145 HG SER1145 -4.202 8.319 0.273 270 H THR1146 HN THR1146 -2.537 10.485 3.675 271 HA THR1146 HA THR1146 -4.879 12.090 3.680 272 HB THR1146 HB THR1146 -3.222 13.941 4.312 273 HG1 THR1146 HG1 THR1146 -1.159 13.472 4.250 274 HG21 THR1146 HG21 THR1146 -3.289 11.430 5.987 275 HG22 THR1146 HG22 THR1146 -4.526 12.686 5.966 276 HG23 THR1146 HG23 THR1146 -2.909 13.050 6.567 277 H GLU1147 HN GLU1147 -5.665 12.428 1.674 278 HA GLU1147 HA GLU1147 -4.117 13.141 -0.590 279 HB2 GLU1147 HB2 GLU1147 -6.338 13.733 -1.583 280 HB3 GLU1147 HB1 GLU1147 -6.254 12.108 -0.917 281 HG2 GLU1147 HG2 GLU1147 -7.335 12.987 1.155 282 HG3 GLU1147 HG1 GLU1147 -7.569 14.517 0.311 283 H THR1148 HN THR1148 -5.543 14.908 2.005 284 HA THR1148 HA THR1148 -4.909 17.473 0.748 285 HB THR1148 HB THR1148 -6.211 16.950 3.431 286 HG1 THR1148 HG1 THR1148 -7.200 16.846 0.845 287 HG21 THR1148 HG21 THR1148 -5.271 19.198 3.171 288 HG22 THR1148 HG22 THR1148 -7.034 19.247 3.193 289 HG23 THR1148 HG23 THR1148 -6.168 19.401 1.664 Start of MODEL 10 1 H1 THR1103 HT1 THR1103 21.183 -14.838 4.523 2 H2 THR1103 HT2 THR1103 21.820 -13.371 5.062 3 H3 THR1103 HT3 THR1103 22.089 -13.874 3.473 4 HA THR1103 HA THR1103 19.781 -13.665 2.946 5 HB THR1103 HB THR1103 19.433 -12.616 5.760 6 HG1 THR1103 HG1 THR1103 18.073 -14.680 5.787 7 HG21 THR1103 HG21 THR1103 17.044 -12.734 5.240 8 HG22 THR1103 HG22 THR1103 17.418 -13.307 3.615 9 HG23 THR1103 HG23 THR1103 17.883 -11.678 4.105 10 H HIS1104 HN HIS1104 19.821 -11.975 1.608 11 HA HIS1104 HA HIS1104 21.344 -9.647 2.028 12 HB2 HIS1104 HB2 HIS1104 20.729 -10.364 -0.216 13 HB3 HIS1104 HB1 HIS1104 19.023 -10.152 0.150 14 HD1 HIS1104 HD1 HIS1104 18.155 -8.135 -0.968 15 HD2 HIS1104 HD2 HIS1104 22.082 -7.612 0.287 16 HE1 HIS1104 HE1 HIS1104 18.771 -5.794 -1.634 17 HE2 HIS1104 HE2 HIS1104 21.205 -5.572 -1.037 18 H ALA1105 HN ALA1105 20.987 -8.099 3.436 19 HA ALA1105 HA ALA1105 18.613 -7.785 4.912 20 HB1 ALA1105 HB1 ALA1105 19.631 -5.722 5.751 21 HB2 ALA1105 HB2 ALA1105 20.864 -5.820 4.495 22 HB3 ALA1105 HB3 ALA1105 20.785 -7.055 5.751 23 HA PRO1106 HA PRO1106 16.214 -5.590 1.891 24 HB2 PRO1106 HB2 PRO1106 14.211 -4.787 3.555 25 HB3 PRO1106 HB1 PRO1106 14.332 -6.426 2.907 26 HG2 PRO1106 HG2 PRO1106 15.107 -5.383 5.596 27 HG3 PRO1106 HG1 PRO1106 14.328 -6.918 5.169 28 HD2 PRO1106 HD2 PRO1106 16.975 -6.705 5.753 29 HD3 PRO1106 HD1 PRO1106 16.330 -7.922 4.635 30 H ALA1107 HN ALA1107 16.835 -3.681 1.175 31 HA ALA1107 HA ALA1107 17.698 -1.626 3.043 32 HB1 ALA1107 HB1 ALA1107 17.844 -1.706 0.031 33 HB2 ALA1107 HB2 ALA1107 19.131 -2.181 1.137 34 HB3 ALA1107 HB3 ALA1107 18.599 -0.503 1.074 35 H SER1108 HN SER1108 17.175 0.701 2.214 36 HA SER1108 HA SER1108 14.365 1.077 2.354 37 HB2 SER1108 HB2 SER1108 15.038 3.501 1.853 38 HB3 SER1108 HB1 SER1108 15.700 2.780 3.318 39 HG SER1108 HG SER1108 17.145 3.968 1.712 40 H CYS1109 HN CYS1109 12.922 1.550 0.766 41 HA CYS1109 HA CYS1109 13.646 0.767 -1.895 42 HB2 CYS1109 HB2 CYS1109 11.015 1.886 -0.922 43 HB3 CYS1109 HB1 CYS1109 11.298 0.981 -2.403 44 H LEU1110 HN LEU1110 12.760 2.145 -3.745 45 HA LEU1110 HA LEU1110 14.158 4.537 -3.967 46 HB2 LEU1110 HB2 LEU1110 12.812 2.939 -5.667 47 HB3 LEU1110 HB1 LEU1110 11.637 4.213 -5.492 48 HG LEU1110 HG LEU1110 13.263 5.855 -6.307 49 HD11 LEU1110 HD11 LEU1110 15.321 4.807 -5.548 50 HD12 LEU1110 HD12 LEU1110 15.379 5.076 -7.289 51 HD13 LEU1110 HD13 LEU1110 15.064 3.460 -6.654 52 HD21 LEU1110 HD21 LEU1110 13.265 5.127 -8.613 53 HD22 LEU1110 HD22 LEU1110 11.747 4.658 -7.842 54 HD23 LEU1110 HD23 LEU1110 13.008 3.455 -8.111 55 H ASP1111 HN ASP1111 13.476 6.716 -3.908 56 HA ASP1111 HA ASP1111 11.593 7.408 -1.922 57 HB2 ASP1111 HB2 ASP1111 12.986 9.035 -4.044 58 HB3 ASP1111 HB1 ASP1111 11.851 9.756 -2.908 59 H THR1112 HN THR1112 11.317 6.831 -5.315 60 HA THR1112 HA THR1112 8.548 7.772 -5.307 61 HB THR1112 HB THR1112 8.731 7.103 -7.802 62 HG1 THR1112 HG1 THR1112 11.465 7.606 -7.564 63 HG21 THR1112 HG21 THR1112 8.606 9.414 -7.023 64 HG22 THR1112 HG22 THR1112 9.758 9.268 -8.352 65 HG23 THR1112 HG23 THR1112 10.339 9.407 -6.692 66 H GLN1113 HN GLN1113 10.058 5.087 -4.353 67 HA GLN1113 HA GLN1113 7.962 3.292 -5.349 68 HB2 GLN1113 HB2 GLN1113 10.667 2.829 -4.127 69 HB3 GLN1113 HB1 GLN1113 9.447 1.571 -4.100 70 HG2 GLN1113 HG2 GLN1113 9.308 1.707 -6.557 71 HG3 GLN1113 HG1 GLN1113 10.624 2.869 -6.540 72 HE21 GLN1113 HE21 GLN1113 11.880 1.403 -7.803 73 HE22 GLN1113 HE22 GLN1113 12.623 0.022 -7.066 74 H TYR1114 HN TYR1114 7.171 1.715 -3.752 75 HA TYR1114 HA TYR1114 6.673 3.030 -1.165 76 HB2 TYR1114 HB2 TYR1114 4.657 2.600 -2.499 77 HB3 TYR1114 HB1 TYR1114 5.095 0.902 -2.607 78 HD1 TYR1114 HD1 TYR1114 4.575 3.466 0.058 79 HD2 TYR1114 HD2 TYR1114 3.982 -0.547 -1.223 80 HE1 TYR1114 HE1 TYR1114 3.314 2.999 2.117 81 HE2 TYR1114 HE2 TYR1114 2.722 -1.024 0.831 82 HH TYR1114 HH TYR1114 1.660 1.440 2.939 83 H THR1115 HN THR1115 6.737 1.786 0.713 84 HA THR1115 HA THR1115 8.449 -0.601 0.541 85 HB THR1115 HB THR1115 8.012 1.105 2.998 86 HG1 THR1115 HG1 THR1115 9.246 1.874 0.830 87 HG21 THR1115 HG21 THR1115 10.176 -0.871 2.258 88 HG22 THR1115 HG22 THR1115 8.860 -1.162 3.396 89 HG23 THR1115 HG23 THR1115 10.090 0.050 3.760 90 H CYS1116 HN CYS1116 7.325 -2.426 0.762 91 HA CYS1116 HA CYS1116 4.698 -2.463 1.918 92 HB2 CYS1116 HB2 CYS1116 6.407 -4.843 1.189 93 HB3 CYS1116 HB1 CYS1116 4.654 -4.783 1.326 94 H ASP1117 HN ASP1117 4.114 -4.113 3.625 95 HA ASP1117 HA ASP1117 5.462 -3.679 6.022 96 HB2 ASP1117 HB2 ASP1117 3.164 -4.459 5.993 97 HB3 ASP1117 HB1 ASP1117 3.649 -5.970 5.230 98 H ASN1118 HN ASN1118 5.843 -6.220 3.640 99 HA ASN1118 HA ASN1118 7.707 -7.752 5.209 100 HB2 ASN1118 HB2 ASN1118 7.071 -7.924 2.257 101 HB3 ASN1118 HB1 ASN1118 7.955 -9.120 3.194 102 HD21 ASN1118 HD21 ASN1118 5.492 -9.340 1.640 103 HD22 ASN1118 HD22 ASN1118 4.294 -9.956 2.738 104 H HIS1119 HN HIS1119 8.156 -4.832 4.193 105 HA HIS1119 HA HIS1119 9.898 -3.515 3.584 106 HB2 HIS1119 HB2 HIS1119 11.502 -6.024 4.108 107 HB3 HIS1119 HB1 HIS1119 12.216 -4.457 3.755 108 HD1 HIS1119 HD1 HIS1119 11.546 -6.518 6.509 109 HD2 HIS1119 HD2 HIS1119 11.044 -2.456 5.783 110 HE1 HIS1119 HE1 HIS1119 11.419 -5.437 8.776 111 HE2 HIS1119 HE2 HIS1119 10.916 -3.013 8.304 112 H GLN1120 HN GLN1120 8.416 -5.149 1.627 113 HA GLN1120 HA GLN1120 10.335 -5.598 -0.501 114 HB2 GLN1120 HB2 GLN1120 8.406 -7.130 -0.174 115 HB3 GLN1120 HB1 GLN1120 7.314 -5.800 -0.529 116 HG2 GLN1120 HG2 GLN1120 7.619 -7.296 -2.440 117 HG3 GLN1120 HG1 GLN1120 8.162 -5.654 -2.783 118 HE21 GLN1120 HE21 GLN1120 9.141 -8.944 -2.233 119 HE22 GLN1120 HE22 GLN1120 10.766 -8.764 -2.803 120 H CYS1121 HN CYS1121 10.218 -4.463 -2.530 121 HA CYS1121 HA CYS1121 9.233 -1.719 -2.147 122 HB2 CYS1121 HB2 CYS1121 11.585 -2.629 -3.821 123 HB3 CYS1121 HB1 CYS1121 11.068 -0.970 -3.551 124 H ILE1122 HN ILE1122 7.502 -1.314 -3.293 125 HA ILE1122 HA ILE1122 7.343 -2.340 -6.055 126 HB ILE1122 HB ILE1122 4.923 -2.351 -5.896 127 HG12 ILE1122 HG12 ILE1122 5.280 -1.541 -3.006 128 HG13 ILE1122 HG11 ILE1122 4.738 -0.466 -4.290 129 HG21 ILE1122 HG21 ILE1122 4.609 -4.176 -4.286 130 HG22 ILE1122 HG22 ILE1122 6.193 -3.825 -3.593 131 HG23 ILE1122 HG23 ILE1122 6.065 -4.391 -5.259 132 HD11 ILE1122 HD11 ILE1122 3.325 -2.926 -3.302 133 HD12 ILE1122 HD12 ILE1122 2.795 -1.917 -4.649 134 HD13 ILE1122 HD13 ILE1122 2.855 -1.249 -3.017 135 H SER1123 HN SER1123 5.919 -0.895 -7.447 136 HA SER1123 HA SER1123 6.761 1.828 -7.240 137 HB2 SER1123 HB2 SER1123 6.443 0.966 -9.451 138 HB3 SER1123 HB1 SER1123 4.820 0.389 -9.065 139 HG SER1123 HG SER1123 4.197 2.246 -9.830 140 H LYS1124 HN LYS1124 5.562 3.652 -6.757 141 HA LYS1124 HA LYS1124 3.539 3.321 -4.800 142 HB2 LYS1124 HB2 LYS1124 4.340 5.799 -6.334 143 HB3 LYS1124 HB1 LYS1124 3.291 5.779 -4.927 144 HG2 LYS1124 HG2 LYS1124 5.289 4.662 -3.729 145 HG3 LYS1124 HG1 LYS1124 6.228 5.258 -5.094 146 HD2 LYS1124 HD2 LYS1124 5.606 7.524 -4.649 147 HD3 LYS1124 HD1 LYS1124 4.449 7.024 -3.419 148 HE2 LYS1124 HE2 LYS1124 7.411 6.523 -3.219 149 HE3 LYS1124 HE1 LYS1124 6.623 7.953 -2.556 150 HZ1 LYS1124 HZ1 LYS1124 5.247 6.466 -1.195 151 HZ2 LYS1124 HZ2 LYS1124 6.896 6.293 -0.860 152 HZ3 LYS1124 HZ3 LYS1124 6.097 5.134 -1.793 153 H ASN1125 HN ASN1125 3.467 3.346 -8.207 154 HA ASN1125 HA ASN1125 0.792 4.309 -8.544 155 HB2 ASN1125 HB2 ASN1125 2.592 2.695 -10.352 156 HB3 ASN1125 HB1 ASN1125 0.986 3.238 -10.822 157 HD21 ASN1125 HD21 ASN1125 0.635 5.383 -11.263 158 HD22 ASN1125 HD22 ASN1125 1.925 6.520 -11.459 159 H TRP1126 HN TRP1126 2.188 1.326 -7.592 160 HA TRP1126 HA TRP1126 -0.052 -0.304 -8.394 161 HB2 TRP1126 HB2 TRP1126 2.278 -0.936 -6.560 162 HB3 TRP1126 HB1 TRP1126 1.091 -2.099 -7.126 163 HD1 TRP1126 HD1 TRP1126 1.824 0.051 -9.994 164 HE1 TRP1126 HE1 TRP1126 3.555 -1.048 -11.552 165 HE3 TRP1126 HE3 TRP1126 3.506 -3.624 -6.868 166 HZ2 TRP1126 HZ2 TRP1126 5.387 -3.189 -11.460 167 HZ3 TRP1126 HZ3 TRP1126 5.249 -5.157 -7.680 168 HH2 TRP1126 HH2 TRP1126 6.168 -4.942 -9.929 169 H VAL1127 HN VAL1127 0.820 1.632 -5.710 170 HA VAL1127 HA VAL1127 -0.557 0.279 -3.658 171 HB VAL1127 HB VAL1127 0.074 3.227 -3.898 172 HG11 VAL1127 HG11 VAL1127 -1.628 2.815 -2.207 173 HG12 VAL1127 HG12 VAL1127 -0.099 3.267 -1.453 174 HG13 VAL1127 HG13 VAL1127 -0.613 1.580 -1.465 175 HG21 VAL1127 HG21 VAL1127 2.062 1.817 -4.068 176 HG22 VAL1127 HG22 VAL1127 1.624 1.012 -2.563 177 HG23 VAL1127 HG23 VAL1127 2.046 2.724 -2.556 178 H CYS1128 HN CYS1128 -2.629 -0.108 -3.549 179 HA CYS1128 HA CYS1128 -4.880 0.134 -3.580 180 HB2 CYS1128 HB2 CYS1128 -4.525 2.126 -2.260 181 HB3 CYS1128 HB1 CYS1128 -4.144 3.054 -3.689 182 H ASP1129 HN ASP1129 -3.850 -0.714 -5.833 183 HA ASP1129 HA ASP1129 -5.313 0.732 -7.955 184 HB2 ASP1129 HB2 ASP1129 -3.836 -0.148 -9.554 185 HB3 ASP1129 HB1 ASP1129 -2.782 0.197 -8.191 186 H THR1130 HN THR1130 -6.026 -1.311 -5.793 187 HA THR1130 HA THR1130 -7.523 -2.913 -5.417 188 HB THR1130 HB THR1130 -9.308 -3.429 -6.948 189 HG1 THR1130 HG1 THR1130 -7.685 -2.124 -8.877 190 HG21 THR1130 HG21 THR1130 -8.593 -0.502 -7.061 191 HG22 THR1130 HG22 THR1130 -9.408 -1.318 -5.728 192 HG23 THR1130 HG23 THR1130 -10.202 -1.186 -7.297 193 H ASP1131 HN ASP1131 -4.889 -3.377 -7.115 194 HA ASP1131 HA ASP1131 -5.324 -6.288 -7.191 195 HB2 ASP1131 HB2 ASP1131 -4.807 -5.453 -9.422 196 HB3 ASP1131 HB1 ASP1131 -3.387 -4.616 -8.810 197 H ASN1132 HN ASN1132 -4.573 -7.021 -5.293 198 HA ASN1132 HA ASN1132 -2.859 -5.560 -3.633 199 HB2 ASN1132 HB2 ASN1132 -2.788 -7.530 -2.194 200 HB3 ASN1132 HB1 ASN1132 -4.425 -7.229 -2.761 201 HD21 ASN1132 HD21 ASN1132 -5.381 -8.670 -4.186 202 HD22 ASN1132 HD22 ASN1132 -4.734 -10.248 -4.474 203 H ASP1133 HN ASP1133 -0.746 -5.339 -3.481 204 HA ASP1133 HA ASP1133 0.964 -7.253 -4.931 205 HB2 ASP1133 HB2 ASP1133 1.558 -4.353 -4.289 206 HB3 ASP1133 HB1 ASP1133 2.657 -5.467 -5.085 207 H CYS1134 HN CYS1134 3.374 -6.781 -3.827 208 HA CYS1134 HA CYS1134 4.713 -7.099 -2.011 209 HB2 CYS1134 HB2 CYS1134 2.336 -6.260 -0.340 210 HB3 CYS1134 HB1 CYS1134 4.020 -6.268 0.156 211 H GLY1135 HN GLY1135 2.369 -9.039 -2.886 212 HA2 GLY1135 HA2 GLY1135 1.884 -11.239 -2.397 213 HA3 GLY1135 HA1 GLY1135 3.072 -11.168 -1.107 214 H ASP1136 HN ASP1136 2.051 -9.194 0.494 215 HA ASP1136 HA ASP1136 -0.232 -10.598 1.635 216 HB2 ASP1136 HB2 ASP1136 1.738 -8.645 2.757 217 HB3 ASP1136 HB1 ASP1136 0.289 -9.104 3.637 218 H GLY1137 HN GLY1137 0.304 -7.870 -0.240 219 HA2 GLY1137 HA2 GLY1137 -1.265 -6.380 -1.053 220 HA3 GLY1137 HA1 GLY1137 -2.460 -7.126 -0.003 221 H SER1138 HN SER1138 0.572 -5.813 1.139 222 HA SER1138 HA SER1138 -0.784 -4.222 3.081 223 HB2 SER1138 HB2 SER1138 1.569 -3.492 3.661 224 HB3 SER1138 HB1 SER1138 1.298 -5.232 3.710 225 HG SER1138 HG SER1138 2.434 -3.807 1.527 226 H ASP1139 HN ASP1139 -0.298 -3.687 -0.114 227 HA ASP1139 HA ASP1139 0.128 -0.808 0.145 228 HB2 ASP1139 HB2 ASP1139 0.424 -0.784 -2.231 229 HB3 ASP1139 HB1 ASP1139 1.322 -2.167 -1.617 230 H GLU1140 HN GLU1140 -2.330 -3.175 -0.442 231 HA GLU1140 HA GLU1140 -4.253 -1.174 -1.369 232 HB2 GLU1140 HB2 GLU1140 -4.583 -4.150 -0.875 233 HB3 GLU1140 HB1 GLU1140 -5.783 -3.097 -1.605 234 HG2 GLU1140 HG2 GLU1140 -3.067 -3.665 -2.758 235 HG3 GLU1140 HG1 GLU1140 -4.556 -4.482 -3.227 236 H LYS1141 HN LYS1141 -3.119 -2.385 1.552 237 HA LYS1141 HA LYS1141 -5.515 -2.642 3.022 238 HB2 LYS1141 HB2 LYS1141 -4.147 -2.691 4.984 239 HB3 LYS1141 HB1 LYS1141 -3.284 -3.538 3.716 240 HG2 LYS1141 HG2 LYS1141 -1.900 -1.549 3.342 241 HG3 LYS1141 HG1 LYS1141 -2.752 -0.727 4.647 242 HD2 LYS1141 HD2 LYS1141 -2.002 -2.451 6.216 243 HD3 LYS1141 HD1 LYS1141 -1.132 -3.252 4.909 244 HE2 LYS1141 HE2 LYS1141 0.436 -1.953 6.140 245 HE3 LYS1141 HE1 LYS1141 0.177 -1.153 4.595 246 HZ1 LYS1141 HZ1 LYS1141 -1.398 0.343 5.738 247 HZ2 LYS1141 HZ2 LYS1141 0.179 0.467 6.335 248 HZ3 LYS1141 HZ3 LYS1141 -0.989 -0.383 7.212 249 H ASN1142 HN ASN1142 -3.547 0.096 2.154 250 HA ASN1142 HA ASN1142 -4.975 1.930 3.878 251 HB2 ASN1142 HB2 ASN1142 -2.596 2.298 3.295 252 HB3 ASN1142 HB1 ASN1142 -3.040 2.468 1.603 253 HD21 ASN1142 HD21 ASN1142 -3.902 4.392 0.891 254 HD22 ASN1142 HD22 ASN1142 -4.011 5.801 1.889 255 H CYS1143 HN CYS1143 -5.637 0.320 1.097 256 HA CYS1143 HA CYS1143 -7.194 2.441 -0.181 257 HB2 CYS1143 HB2 CYS1143 -5.615 0.849 -1.430 258 HB3 CYS1143 HB1 CYS1143 -6.813 -0.399 -1.135 259 H ASN1144 HN ASN1144 -7.734 0.848 2.364 260 HA ASN1144 HA ASN1144 -9.308 -0.375 3.431 261 HB2 ASN1144 HB2 ASN1144 -11.589 0.573 3.285 262 HB3 ASN1144 HB1 ASN1144 -10.346 1.791 3.499 263 HD21 ASN1144 HD21 ASN1144 -12.790 0.522 1.418 264 HD22 ASN1144 HD22 ASN1144 -12.753 1.799 0.248 265 H SER1145 HN SER1145 -8.439 -2.024 1.658 266 HA SER1145 HA SER1145 -10.282 -2.999 -0.236 267 HB2 SER1145 HB2 SER1145 -8.863 -5.134 0.013 268 HB3 SER1145 HB1 SER1145 -8.044 -3.671 -0.528 269 HG SER1145 HG SER1145 -7.175 -5.087 1.342 270 H THR1146 HN THR1146 -12.002 -4.284 -0.046 271 HA THR1146 HA THR1146 -13.006 -4.862 2.587 272 HB THR1146 HB THR1146 -14.960 -5.823 1.296 273 HG1 THR1146 HG1 THR1146 -14.819 -5.970 -0.817 274 HG21 THR1146 HG21 THR1146 -14.962 -3.522 2.117 275 HG22 THR1146 HG22 THR1146 -15.765 -3.629 0.550 276 HG23 THR1146 HG23 THR1146 -14.123 -2.992 0.659 277 H GLU1147 HN GLU1147 -10.721 -6.265 2.331 278 HA GLU1147 HA GLU1147 -11.307 -8.943 1.389 279 HB2 GLU1147 HB2 GLU1147 -8.904 -9.362 2.055 280 HB3 GLU1147 HB1 GLU1147 -9.162 -8.189 0.774 281 HG2 GLU1147 HG2 GLU1147 -8.841 -6.371 2.356 282 HG3 GLU1147 HG1 GLU1147 -8.618 -7.533 3.662 283 H THR1148 HN THR1148 -11.724 -7.264 4.242 284 HA THR1148 HA THR1148 -11.119 -9.469 6.017 285 HB THR1148 HB THR1148 -12.634 -6.961 6.742 286 HG1 THR1148 HG1 THR1148 -10.843 -5.932 6.278 287 HG21 THR1148 HG21 THR1148 -12.584 -8.764 8.417 288 HG22 THR1148 HG22 THR1148 -11.664 -7.359 8.950 289 HG23 THR1148 HG23 THR1148 -10.822 -8.782 8.336 Start of MODEL 11 1 H1 THR1103 HT1 THR1103 25.428 1.364 12.771 2 H2 THR1103 HT2 THR1103 26.327 0.782 14.077 3 H3 THR1103 HT3 THR1103 24.649 0.599 14.060 4 HA THR1103 HA THR1103 26.547 -0.674 12.197 5 HB THR1103 HB THR1103 25.625 -2.782 13.302 6 HG1 THR1103 HG1 THR1103 24.082 -2.374 14.697 7 HG21 THR1103 HG21 THR1103 27.903 -1.969 13.692 8 HG22 THR1103 HG22 THR1103 27.217 -2.672 15.157 9 HG23 THR1103 HG23 THR1103 27.311 -0.919 14.979 10 H HIS1104 HN HIS1104 25.639 -1.898 10.564 11 HA HIS1104 HA HIS1104 24.159 -2.457 8.947 12 HB2 HIS1104 HB2 HIS1104 23.052 -3.757 10.685 13 HB3 HIS1104 HB1 HIS1104 22.170 -2.337 11.228 14 HD1 HIS1104 HD1 HIS1104 19.802 -2.652 10.599 15 HD2 HIS1104 HD2 HIS1104 22.380 -3.943 7.603 16 HE1 HIS1104 HE1 HIS1104 18.324 -3.354 8.690 17 HE2 HIS1104 HE2 HIS1104 19.912 -3.972 6.834 18 H ALA1105 HN ALA1105 24.328 -0.699 7.654 19 HA ALA1105 HA ALA1105 23.068 1.792 8.125 20 HB1 ALA1105 HB1 ALA1105 24.020 0.617 5.517 21 HB2 ALA1105 HB2 ALA1105 25.015 1.526 6.655 22 HB3 ALA1105 HB3 ALA1105 23.671 2.316 5.830 23 HA PRO1106 HA PRO1106 18.910 0.490 7.023 24 HB2 PRO1106 HB2 PRO1106 18.321 3.367 7.162 25 HB3 PRO1106 HB1 PRO1106 17.641 2.039 8.103 26 HG2 PRO1106 HG2 PRO1106 19.327 3.831 9.190 27 HG3 PRO1106 HG1 PRO1106 19.309 2.130 9.691 28 HD2 PRO1106 HD2 PRO1106 21.212 3.552 7.871 29 HD3 PRO1106 HD1 PRO1106 21.539 2.326 9.114 30 H ALA1107 HN ALA1107 18.240 0.132 5.013 31 HA ALA1107 HA ALA1107 18.667 2.215 2.986 32 HB1 ALA1107 HB1 ALA1107 20.396 0.514 2.715 33 HB2 ALA1107 HB2 ALA1107 19.274 0.499 1.355 34 HB3 ALA1107 HB3 ALA1107 19.158 -0.736 2.607 35 H SER1108 HN SER1108 16.583 2.878 2.793 36 HA SER1108 HA SER1108 14.435 0.951 2.622 37 HB2 SER1108 HB2 SER1108 13.026 3.033 2.343 38 HB3 SER1108 HB1 SER1108 13.938 2.937 3.849 39 HG SER1108 HG SER1108 13.963 4.913 2.192 40 H CYS1109 HN CYS1109 12.719 1.753 0.827 41 HA CYS1109 HA CYS1109 13.860 0.838 -1.609 42 HB2 CYS1109 HB2 CYS1109 11.112 1.992 -1.111 43 HB3 CYS1109 HB1 CYS1109 11.603 1.044 -2.510 44 H LEU1110 HN LEU1110 12.863 2.096 -3.665 45 HA LEU1110 HA LEU1110 14.423 4.375 -4.100 46 HB2 LEU1110 HB2 LEU1110 13.025 2.690 -5.643 47 HB3 LEU1110 HB1 LEU1110 11.885 4.008 -5.596 48 HG LEU1110 HG LEU1110 13.583 5.512 -6.555 49 HD11 LEU1110 HD11 LEU1110 15.643 4.569 -7.478 50 HD12 LEU1110 HD12 LEU1110 15.254 3.007 -6.757 51 HD13 LEU1110 HD13 LEU1110 15.593 4.395 -5.725 52 HD21 LEU1110 HD21 LEU1110 13.086 2.969 -8.100 53 HD22 LEU1110 HD22 LEU1110 13.537 4.526 -8.796 54 HD23 LEU1110 HD23 LEU1110 11.984 4.339 -7.976 55 H ASP1111 HN ASP1111 13.668 6.596 -4.531 56 HA ASP1111 HA ASP1111 11.998 7.634 -2.507 57 HB2 ASP1111 HB2 ASP1111 13.044 8.854 -5.062 58 HB3 ASP1111 HB1 ASP1111 12.039 9.752 -3.930 59 H THR1112 HN THR1112 11.409 6.687 -5.827 60 HA THR1112 HA THR1112 8.660 7.608 -5.718 61 HB THR1112 HB THR1112 8.543 6.606 -8.033 62 HG1 THR1112 HG1 THR1112 10.129 5.200 -8.322 63 HG21 THR1112 HG21 THR1112 9.907 8.371 -9.067 64 HG22 THR1112 HG22 THR1112 10.704 8.655 -7.520 65 HG23 THR1112 HG23 THR1112 8.981 8.983 -7.698 66 H GLN1113 HN GLN1113 10.278 4.939 -4.602 67 HA GLN1113 HA GLN1113 8.158 3.059 -5.265 68 HB2 GLN1113 HB2 GLN1113 10.871 2.778 -4.036 69 HB3 GLN1113 HB1 GLN1113 9.682 1.495 -3.887 70 HG2 GLN1113 HG2 GLN1113 9.512 1.421 -6.336 71 HG3 GLN1113 HG1 GLN1113 10.776 2.631 -6.442 72 HE21 GLN1113 HE21 GLN1113 10.760 -0.086 -7.456 73 HE22 GLN1113 HE22 GLN1113 12.113 -0.879 -6.723 74 H TYR1114 HN TYR1114 7.168 1.793 -3.717 75 HA TYR1114 HA TYR1114 6.707 3.134 -1.143 76 HB2 TYR1114 HB2 TYR1114 4.729 2.723 -2.596 77 HB3 TYR1114 HB1 TYR1114 5.102 1.009 -2.573 78 HD1 TYR1114 HD1 TYR1114 4.124 3.845 -0.390 79 HD2 TYR1114 HD2 TYR1114 4.261 -0.380 -0.879 80 HE1 TYR1114 HE1 TYR1114 2.740 3.573 1.624 81 HE2 TYR1114 HE2 TYR1114 2.874 -0.658 1.131 82 HH TYR1114 HH TYR1114 2.250 0.521 3.123 83 H THR1115 HN THR1115 6.720 1.861 0.750 84 HA THR1115 HA THR1115 8.277 -0.624 0.497 85 HB THR1115 HB THR1115 8.268 1.200 2.909 86 HG1 THR1115 HG1 THR1115 9.791 1.235 0.546 87 HG21 THR1115 HG21 THR1115 8.919 -1.134 3.330 88 HG22 THR1115 HG22 THR1115 10.294 -0.045 3.511 89 HG23 THR1115 HG23 THR1115 10.132 -1.026 2.054 90 H CYS1116 HN CYS1116 6.716 -2.132 0.560 91 HA CYS1116 HA CYS1116 4.357 -2.082 2.071 92 HB2 CYS1116 HB2 CYS1116 5.925 -4.546 1.292 93 HB3 CYS1116 HB1 CYS1116 4.196 -4.443 1.601 94 H ASP1117 HN ASP1117 3.819 -3.493 3.910 95 HA ASP1117 HA ASP1117 5.571 -3.135 6.110 96 HB2 ASP1117 HB2 ASP1117 3.028 -3.302 6.141 97 HB3 ASP1117 HB1 ASP1117 3.231 -5.042 5.985 98 H ASN1118 HN ASN1118 5.703 -5.273 3.627 99 HA ASN1118 HA ASN1118 7.022 -7.398 5.163 100 HB2 ASN1118 HB2 ASN1118 6.091 -7.339 2.290 101 HB3 ASN1118 HB1 ASN1118 6.876 -8.708 3.054 102 HD21 ASN1118 HD21 ASN1118 5.445 -8.254 5.564 103 HD22 ASN1118 HD22 ASN1118 3.842 -8.799 5.263 104 H HIS1119 HN HIS1119 8.007 -4.615 4.280 105 HA HIS1119 HA HIS1119 9.832 -3.595 3.406 106 HB2 HIS1119 HB2 HIS1119 10.937 -6.290 4.135 107 HB3 HIS1119 HB1 HIS1119 11.956 -5.105 3.328 108 HD1 HIS1119 HD1 HIS1119 10.594 -6.019 6.615 109 HD2 HIS1119 HD2 HIS1119 12.350 -2.687 4.859 110 HE1 HIS1119 HE1 HIS1119 11.328 -4.557 8.525 111 HE2 HIS1119 HE2 HIS1119 12.313 -2.506 7.435 112 H GLN1120 HN GLN1120 7.977 -4.780 1.580 113 HA GLN1120 HA GLN1120 9.626 -5.676 -0.659 114 HB2 GLN1120 HB2 GLN1120 7.541 -6.904 -0.126 115 HB3 GLN1120 HB1 GLN1120 6.619 -5.437 -0.403 116 HG2 GLN1120 HG2 GLN1120 6.432 -6.881 -2.308 117 HG3 GLN1120 HG1 GLN1120 7.349 -5.442 -2.750 118 HE21 GLN1120 HE21 GLN1120 9.457 -5.644 -3.372 119 HE22 GLN1120 HE22 GLN1120 10.241 -7.166 -3.604 120 H CYS1121 HN CYS1121 10.288 -4.273 -2.158 121 HA CYS1121 HA CYS1121 9.219 -1.575 -2.140 122 HB2 CYS1121 HB2 CYS1121 11.490 -2.766 -3.740 123 HB3 CYS1121 HB1 CYS1121 11.079 -1.056 -3.656 124 H ILE1122 HN ILE1122 7.601 -1.010 -3.385 125 HA ILE1122 HA ILE1122 7.428 -2.115 -6.106 126 HB ILE1122 HB ILE1122 4.988 -2.117 -6.000 127 HG12 ILE1122 HG12 ILE1122 5.323 -1.517 -3.053 128 HG13 ILE1122 HG11 ILE1122 4.772 -0.361 -4.260 129 HG21 ILE1122 HG21 ILE1122 6.279 -3.759 -3.824 130 HG22 ILE1122 HG22 ILE1122 6.107 -4.203 -5.523 131 HG23 ILE1122 HG23 ILE1122 4.677 -4.055 -4.501 132 HD11 ILE1122 HD11 ILE1122 3.379 -2.911 -3.494 133 HD12 ILE1122 HD12 ILE1122 2.832 -1.762 -4.716 134 HD13 ILE1122 HD13 ILE1122 2.909 -1.280 -3.020 135 H SER1123 HN SER1123 5.891 -0.661 -7.449 136 HA SER1123 HA SER1123 6.689 2.062 -7.205 137 HB2 SER1123 HB2 SER1123 6.241 1.275 -9.410 138 HB3 SER1123 HB1 SER1123 4.664 0.639 -8.944 139 HG SER1123 HG SER1123 5.176 3.388 -8.665 140 H LYS1124 HN LYS1124 5.589 3.806 -6.402 141 HA LYS1124 HA LYS1124 3.546 3.440 -4.493 142 HB2 LYS1124 HB2 LYS1124 4.540 5.911 -5.909 143 HB3 LYS1124 HB1 LYS1124 3.312 5.958 -4.654 144 HG2 LYS1124 HG2 LYS1124 4.881 5.025 -3.054 145 HG3 LYS1124 HG1 LYS1124 6.112 4.906 -4.313 146 HD2 LYS1124 HD2 LYS1124 6.105 7.326 -4.577 147 HD3 LYS1124 HD1 LYS1124 4.820 7.468 -3.375 148 HE2 LYS1124 HE2 LYS1124 6.299 6.551 -1.669 149 HE3 LYS1124 HE1 LYS1124 7.577 6.353 -2.866 150 HZ1 LYS1124 HZ1 LYS1124 7.799 8.360 -1.467 151 HZ2 LYS1124 HZ2 LYS1124 6.375 8.968 -2.143 152 HZ3 LYS1124 HZ3 LYS1124 7.731 8.706 -3.120 153 H ASN1125 HN ASN1125 3.486 3.756 -7.911 154 HA ASN1125 HA ASN1125 0.767 4.688 -8.073 155 HB2 ASN1125 HB2 ASN1125 2.628 3.551 -10.167 156 HB3 ASN1125 HB1 ASN1125 0.998 4.117 -10.512 157 HD21 ASN1125 HD21 ASN1125 4.240 5.022 -9.742 158 HD22 ASN1125 HD22 ASN1125 4.047 6.720 -9.993 159 H TRP1126 HN TRP1126 2.264 1.726 -7.473 160 HA TRP1126 HA TRP1126 0.096 0.085 -8.493 161 HB2 TRP1126 HB2 TRP1126 2.537 -0.592 -6.834 162 HB3 TRP1126 HB1 TRP1126 1.350 -1.774 -7.362 163 HD1 TRP1126 HD1 TRP1126 1.947 0.664 -10.092 164 HE1 TRP1126 HE1 TRP1126 3.533 -0.345 -11.852 165 HE3 TRP1126 HE3 TRP1126 3.611 -3.389 -7.459 166 HZ2 TRP1126 HZ2 TRP1126 5.255 -2.567 -12.092 167 HZ3 TRP1126 HZ3 TRP1126 5.225 -4.907 -8.527 168 HH2 TRP1126 HH2 TRP1126 6.029 -4.503 -10.796 169 H VAL1127 HN VAL1127 0.817 1.846 -5.684 170 HA VAL1127 HA VAL1127 -0.361 0.151 -3.737 171 HB VAL1127 HB VAL1127 0.043 3.148 -3.668 172 HG11 VAL1127 HG11 VAL1127 -0.043 2.911 -1.232 173 HG12 VAL1127 HG12 VAL1127 -0.424 1.199 -1.415 174 HG13 VAL1127 HG13 VAL1127 -1.560 2.421 -1.987 175 HG21 VAL1127 HG21 VAL1127 1.797 0.925 -2.639 176 HG22 VAL1127 HG22 VAL1127 2.093 2.652 -2.442 177 HG23 VAL1127 HG23 VAL1127 2.120 1.930 -4.051 178 H CYS1128 HN CYS1128 -2.387 -0.344 -3.473 179 HA CYS1128 HA CYS1128 -4.649 -0.303 -3.454 180 HB2 CYS1128 HB2 CYS1128 -4.290 1.717 -2.075 181 HB3 CYS1128 HB1 CYS1128 -4.298 2.699 -3.528 182 H ASP1129 HN ASP1129 -3.747 -1.001 -5.772 183 HA ASP1129 HA ASP1129 -5.312 0.527 -7.766 184 HB2 ASP1129 HB2 ASP1129 -3.760 -0.098 -9.460 185 HB3 ASP1129 HB1 ASP1129 -2.781 0.407 -8.090 186 H THR1130 HN THR1130 -6.171 -1.559 -5.925 187 HA THR1130 HA THR1130 -7.482 -3.366 -5.789 188 HB THR1130 HB THR1130 -8.980 -3.965 -7.576 189 HG1 THR1130 HG1 THR1130 -7.120 -2.603 -9.192 190 HG21 THR1130 HG21 THR1130 -10.022 -1.797 -7.992 191 HG22 THR1130 HG22 THR1130 -8.536 -0.986 -7.498 192 HG23 THR1130 HG23 THR1130 -9.457 -1.927 -6.325 193 H ASP1131 HN ASP1131 -4.589 -3.597 -6.806 194 HA ASP1131 HA ASP1131 -4.786 -6.486 -7.308 195 HB2 ASP1131 HB2 ASP1131 -4.197 -5.196 -9.401 196 HB3 ASP1131 HB1 ASP1131 -2.712 -4.704 -8.596 197 H ASN1132 HN ASN1132 -3.772 -7.570 -5.734 198 HA ASN1132 HA ASN1132 -2.285 -6.172 -3.747 199 HB2 ASN1132 HB2 ASN1132 -1.964 -8.420 -2.724 200 HB3 ASN1132 HB1 ASN1132 -3.646 -8.048 -3.077 201 HD21 ASN1132 HD21 ASN1132 -2.389 -10.621 -2.678 202 HD22 ASN1132 HD22 ASN1132 -2.669 -11.530 -4.122 203 H ASP1133 HN ASP1133 -0.308 -5.421 -4.132 204 HA ASP1133 HA ASP1133 1.453 -6.925 -5.915 205 HB2 ASP1133 HB2 ASP1133 1.652 -4.114 -4.854 206 HB3 ASP1133 HB1 ASP1133 2.907 -4.881 -5.816 207 H CYS1134 HN CYS1134 1.357 -5.591 -2.648 208 HA CYS1134 HA CYS1134 3.892 -6.708 -1.921 209 HB2 CYS1134 HB2 CYS1134 1.634 -5.979 -0.048 210 HB3 CYS1134 HB1 CYS1134 3.352 -6.057 0.325 211 H GLY1135 HN GLY1135 4.231 -8.560 -0.534 212 HA2 GLY1135 HA2 GLY1135 2.965 -10.881 -1.272 213 HA3 GLY1135 HA1 GLY1135 3.829 -10.687 0.244 214 H ASP1136 HN ASP1136 2.417 -9.245 1.848 215 HA ASP1136 HA ASP1136 0.068 -10.785 2.378 216 HB2 ASP1136 HB2 ASP1136 1.508 -9.941 4.179 217 HB3 ASP1136 HB1 ASP1136 1.083 -8.295 3.736 218 H GLY1137 HN GLY1137 0.712 -7.869 0.706 219 HA2 GLY1137 HA2 GLY1137 -0.828 -6.839 -0.756 220 HA3 GLY1137 HA1 GLY1137 -2.142 -7.539 0.176 221 H SER1138 HN SER1138 0.517 -5.846 1.674 222 HA SER1138 HA SER1138 -1.221 -4.265 3.212 223 HB2 SER1138 HB2 SER1138 0.837 -3.170 4.020 224 HB3 SER1138 HB1 SER1138 0.980 -4.923 4.012 225 HG SER1138 HG SER1138 2.154 -3.037 2.279 226 H ASP1139 HN ASP1139 0.186 -3.722 0.088 227 HA ASP1139 HA ASP1139 0.063 -0.876 0.121 228 HB2 ASP1139 HB2 ASP1139 0.465 -0.971 -2.245 229 HB3 ASP1139 HB1 ASP1139 1.459 -2.200 -1.480 230 H GLU1140 HN GLU1140 -2.228 -3.393 -0.441 231 HA GLU1140 HA GLU1140 -4.191 -1.565 -1.574 232 HB2 GLU1140 HB2 GLU1140 -4.355 -4.505 -0.871 233 HB3 GLU1140 HB1 GLU1140 -5.643 -3.585 -1.634 234 HG2 GLU1140 HG2 GLU1140 -2.907 -4.040 -2.803 235 HG3 GLU1140 HG1 GLU1140 -4.366 -4.929 -3.237 236 H LYS1141 HN LYS1141 -3.392 -3.125 1.452 237 HA LYS1141 HA LYS1141 -5.906 -2.553 2.695 238 HB2 LYS1141 HB2 LYS1141 -5.072 -3.576 4.595 239 HB3 LYS1141 HB1 LYS1141 -4.139 -4.360 3.339 240 HG2 LYS1141 HG2 LYS1141 -2.270 -2.822 3.817 241 HG3 LYS1141 HG1 LYS1141 -3.217 -2.126 5.131 242 HD2 LYS1141 HD2 LYS1141 -3.355 -4.384 6.158 243 HD3 LYS1141 HD1 LYS1141 -2.280 -4.981 4.896 244 HE2 LYS1141 HE2 LYS1141 -0.531 -3.485 5.631 245 HE3 LYS1141 HE1 LYS1141 -1.606 -2.781 6.836 246 HZ1 LYS1141 HZ1 LYS1141 -0.720 -5.610 6.787 247 HZ2 LYS1141 HZ2 LYS1141 -1.697 -4.897 7.965 248 HZ3 LYS1141 HZ3 LYS1141 -0.087 -4.411 7.795 249 H ASN1142 HN ASN1142 -2.822 -0.938 2.397 250 HA ASN1142 HA ASN1142 -3.544 1.174 4.235 251 HB2 ASN1142 HB2 ASN1142 -1.165 0.399 3.815 252 HB3 ASN1142 HB1 ASN1142 -1.273 1.165 2.234 253 HD21 ASN1142 HD21 ASN1142 -1.298 3.414 2.096 254 HD22 ASN1142 HD22 ASN1142 -0.861 4.420 3.433 255 H CYS1143 HN CYS1143 -5.605 1.471 3.039 256 HA CYS1143 HA CYS1143 -5.424 3.746 1.308 257 HB2 CYS1143 HB2 CYS1143 -5.035 1.802 -0.247 258 HB3 CYS1143 HB1 CYS1143 -6.645 1.226 0.160 259 H ASN1144 HN ASN1144 -6.498 3.497 3.771 260 HA ASN1144 HA ASN1144 -9.401 3.419 3.285 261 HB2 ASN1144 HB2 ASN1144 -9.678 2.956 5.690 262 HB3 ASN1144 HB1 ASN1144 -8.710 1.715 4.904 263 HD21 ASN1144 HD21 ASN1144 -8.723 4.331 7.183 264 HD22 ASN1144 HD22 ASN1144 -7.155 4.022 7.845 265 H SER1145 HN SER1145 -10.629 4.891 4.759 266 HA SER1145 HA SER1145 -11.198 7.002 5.288 267 HB2 SER1145 HB2 SER1145 -8.386 7.230 6.229 268 HB3 SER1145 HB1 SER1145 -9.728 8.256 6.695 269 HG SER1145 HG SER1145 -10.687 6.084 7.352 270 H THR1146 HN THR1146 -11.265 7.211 2.933 271 HA THR1146 HA THR1146 -9.193 8.873 1.755 272 HB THR1146 HB THR1146 -10.671 8.612 -0.320 273 HG1 THR1146 HG1 THR1146 -11.773 6.325 0.796 274 HG21 THR1146 HG21 THR1146 -9.484 6.162 0.989 275 HG22 THR1146 HG22 THR1146 -8.616 7.338 -0.001 276 HG23 THR1146 HG23 THR1146 -9.859 6.318 -0.728 277 H GLU1147 HN GLU1147 -9.484 10.811 2.833 278 HA GLU1147 HA GLU1147 -11.978 12.072 3.212 279 HB2 GLU1147 HB2 GLU1147 -10.671 14.100 3.740 280 HB3 GLU1147 HB1 GLU1147 -10.095 12.683 4.599 281 HG2 GLU1147 HG2 GLU1147 -8.825 13.753 2.091 282 HG3 GLU1147 HG1 GLU1147 -8.316 14.193 3.719 283 H THR1148 HN THR1148 -9.787 11.987 0.527 284 HA THR1148 HA THR1148 -10.815 14.280 -0.815 285 HB THR1148 HB THR1148 -9.773 12.963 -2.856 286 HG1 THR1148 HG1 THR1148 -7.960 11.684 -1.772 287 HG21 THR1148 HG21 THR1148 -7.577 13.875 -2.261 288 HG22 THR1148 HG22 THR1148 -8.110 14.077 -0.593 289 HG23 THR1148 HG23 THR1148 -8.862 15.020 -1.879 Start of MODEL 12 1 H1 THR1103 HT1 THR1103 5.299 4.598 6.615 2 H2 THR1103 HT2 THR1103 3.995 5.342 7.393 3 H3 THR1103 HT3 THR1103 3.814 4.745 5.827 4 HA THR1103 HA THR1103 2.779 3.291 7.434 5 HB THR1103 HB THR1103 4.072 1.188 6.808 6 HG1 THR1103 HG1 THR1103 6.085 1.635 6.279 7 HG21 THR1103 HG21 THR1103 2.194 2.009 5.484 8 HG22 THR1103 HG22 THR1103 3.451 1.346 4.438 9 HG23 THR1103 HG23 THR1103 3.274 3.092 4.607 10 H HIS1104 HN HIS1104 5.069 4.883 8.849 11 HA HIS1104 HA HIS1104 6.046 4.849 10.894 12 HB2 HIS1104 HB2 HIS1104 4.575 2.229 11.198 13 HB3 HIS1104 HB1 HIS1104 5.577 2.923 12.466 14 HD1 HIS1104 HD1 HIS1104 2.185 2.741 11.466 15 HD2 HIS1104 HD2 HIS1104 4.587 5.734 13.056 16 HE1 HIS1104 HE1 HIS1104 0.604 4.414 12.468 17 HE2 HIS1104 HE2 HIS1104 2.088 6.090 13.616 18 H ALA1105 HN ALA1105 6.163 1.507 9.666 19 HA ALA1105 HA ALA1105 8.807 0.966 10.434 20 HB1 ALA1105 HB1 ALA1105 7.220 -0.778 9.777 21 HB2 ALA1105 HB2 ALA1105 8.698 -0.872 8.818 22 HB3 ALA1105 HB3 ALA1105 7.236 -0.173 8.120 23 HA PRO1106 HA PRO1106 11.224 3.673 7.932 24 HB2 PRO1106 HB2 PRO1106 13.030 1.326 7.744 25 HB3 PRO1106 HB1 PRO1106 13.402 2.991 8.189 26 HG2 PRO1106 HG2 PRO1106 13.231 1.115 10.058 27 HG3 PRO1106 HG1 PRO1106 12.577 2.738 10.345 28 HD2 PRO1106 HD2 PRO1106 11.144 0.193 9.736 29 HD3 PRO1106 HD1 PRO1106 10.656 1.544 10.779 30 H ALA1107 HN ALA1107 10.732 4.145 5.922 31 HA ALA1107 HA ALA1107 10.028 2.126 4.002 32 HB1 ALA1107 HB1 ALA1107 9.494 4.003 2.544 33 HB2 ALA1107 HB2 ALA1107 10.256 5.119 3.676 34 HB3 ALA1107 HB3 ALA1107 8.797 4.245 4.145 35 H SER1108 HN SER1108 12.189 1.116 4.090 36 HA SER1108 HA SER1108 14.411 2.531 2.938 37 HB2 SER1108 HB2 SER1108 15.460 0.190 3.081 38 HB3 SER1108 HB1 SER1108 15.001 0.965 4.596 39 HG SER1108 HG SER1108 13.587 -1.050 3.175 40 H CYS1109 HN CYS1109 12.686 2.865 1.060 41 HA CYS1109 HA CYS1109 13.642 1.112 -1.085 42 HB2 CYS1109 HB2 CYS1109 10.766 1.999 -0.765 43 HB3 CYS1109 HB1 CYS1109 11.420 1.126 -2.145 44 H LEU1110 HN LEU1110 12.729 2.205 -3.257 45 HA LEU1110 HA LEU1110 14.049 4.637 -3.643 46 HB2 LEU1110 HB2 LEU1110 12.961 2.764 -5.232 47 HB3 LEU1110 HB1 LEU1110 11.695 3.958 -5.319 48 HG LEU1110 HG LEU1110 13.258 5.598 -6.230 49 HD11 LEU1110 HD11 LEU1110 15.276 3.360 -6.104 50 HD12 LEU1110 HD12 LEU1110 15.308 4.831 -5.139 51 HD13 LEU1110 HD13 LEU1110 15.515 4.920 -6.885 52 HD21 LEU1110 HD21 LEU1110 13.288 2.933 -7.640 53 HD22 LEU1110 HD22 LEU1110 13.606 4.497 -8.392 54 HD23 LEU1110 HD23 LEU1110 12.009 4.143 -7.729 55 H ASP1111 HN ASP1111 13.161 6.751 -4.112 56 HA ASP1111 HA ASP1111 11.153 7.591 -2.288 57 HB2 ASP1111 HB2 ASP1111 13.000 9.060 -3.021 58 HB3 ASP1111 HB1 ASP1111 12.321 9.091 -4.643 59 H THR1112 HN THR1112 11.103 6.555 -5.594 60 HA THR1112 HA THR1112 8.292 7.307 -5.875 61 HB THR1112 HB THR1112 8.611 6.219 -8.179 62 HG1 THR1112 HG1 THR1112 11.165 6.595 -8.467 63 HG21 THR1112 HG21 THR1112 8.518 8.633 -7.886 64 HG22 THR1112 HG22 THR1112 9.742 8.212 -9.083 65 HG23 THR1112 HG23 THR1112 10.225 8.663 -7.448 66 H GLN1113 HN GLN1113 9.996 4.844 -4.526 67 HA GLN1113 HA GLN1113 8.098 2.769 -5.309 68 HB2 GLN1113 HB2 GLN1113 10.758 2.737 -3.943 69 HB3 GLN1113 HB1 GLN1113 9.663 1.375 -3.781 70 HG2 GLN1113 HG2 GLN1113 9.612 1.188 -6.238 71 HG3 GLN1113 HG1 GLN1113 10.808 2.470 -6.334 72 HE21 GLN1113 HE21 GLN1113 10.951 -0.347 -7.166 73 HE22 GLN1113 HE22 GLN1113 12.330 -0.996 -6.347 74 H TYR1114 HN TYR1114 7.110 1.477 -3.750 75 HA TYR1114 HA TYR1114 6.490 2.902 -1.247 76 HB2 TYR1114 HB2 TYR1114 4.589 2.421 -2.794 77 HB3 TYR1114 HB1 TYR1114 4.945 0.709 -2.635 78 HD1 TYR1114 HD1 TYR1114 3.982 3.695 -0.644 79 HD2 TYR1114 HD2 TYR1114 3.940 -0.551 -0.939 80 HE1 TYR1114 HE1 TYR1114 2.524 3.578 1.328 81 HE2 TYR1114 HE2 TYR1114 2.478 -0.677 1.035 82 HH TYR1114 HH TYR1114 0.959 2.099 2.373 83 H THR1115 HN THR1115 6.393 1.661 0.683 84 HA THR1115 HA THR1115 8.116 -0.718 0.570 85 HB THR1115 HB THR1115 7.876 1.216 2.885 86 HG1 THR1115 HG1 THR1115 9.990 0.985 0.981 87 HG21 THR1115 HG21 THR1115 9.852 -0.991 2.278 88 HG22 THR1115 HG22 THR1115 8.612 -1.023 3.532 89 HG23 THR1115 HG23 THR1115 9.951 0.120 3.644 90 H CYS1116 HN CYS1116 6.877 -2.437 0.774 91 HA CYS1116 HA CYS1116 4.340 -2.482 2.024 92 HB2 CYS1116 HB2 CYS1116 6.176 -4.781 1.342 93 HB3 CYS1116 HB1 CYS1116 4.477 -4.926 1.762 94 H ASP1117 HN ASP1117 3.763 -4.049 3.775 95 HA ASP1117 HA ASP1117 5.127 -3.695 6.189 96 HB2 ASP1117 HB2 ASP1117 2.822 -4.438 6.154 97 HB3 ASP1117 HB1 ASP1117 3.258 -5.902 5.283 98 H ASN1118 HN ASN1118 5.492 -6.033 3.635 99 HA ASN1118 HA ASN1118 7.283 -7.769 5.055 100 HB2 ASN1118 HB2 ASN1118 6.936 -7.626 2.065 101 HB3 ASN1118 HB1 ASN1118 7.445 -9.002 3.023 102 HD21 ASN1118 HD21 ASN1118 5.918 -10.206 4.068 103 HD22 ASN1118 HD22 ASN1118 4.243 -10.060 3.706 104 H HIS1119 HN HIS1119 7.757 -4.719 4.120 105 HA HIS1119 HA HIS1119 9.500 -3.398 3.544 106 HB2 HIS1119 HB2 HIS1119 11.036 -5.849 4.383 107 HB3 HIS1119 HB1 HIS1119 11.855 -4.418 3.768 108 HD1 HIS1119 HD1 HIS1119 10.309 -5.820 6.796 109 HD2 HIS1119 HD2 HIS1119 11.542 -2.090 5.436 110 HE1 HIS1119 HE1 HIS1119 10.409 -4.355 8.834 111 HE2 HIS1119 HE2 HIS1119 11.358 -2.174 8.015 112 H GLN1120 HN GLN1120 8.130 -5.103 1.588 113 HA GLN1120 HA GLN1120 10.120 -5.519 -0.483 114 HB2 GLN1120 HB2 GLN1120 8.246 -7.105 -0.237 115 HB3 GLN1120 HB1 GLN1120 7.107 -5.805 -0.547 116 HG2 GLN1120 HG2 GLN1120 7.395 -7.166 -2.521 117 HG3 GLN1120 HG1 GLN1120 8.023 -5.542 -2.800 118 HE21 GLN1120 HE21 GLN1120 9.342 -6.231 -4.473 119 HE22 GLN1120 HE22 GLN1120 10.775 -7.162 -4.199 120 H CYS1121 HN CYS1121 10.340 -4.251 -2.300 121 HA CYS1121 HA CYS1121 9.170 -1.574 -2.039 122 HB2 CYS1121 HB2 CYS1121 11.620 -2.460 -3.576 123 HB3 CYS1121 HB1 CYS1121 11.085 -0.799 -3.342 124 H ILE1122 HN ILE1122 7.317 -1.538 -3.203 125 HA ILE1122 HA ILE1122 7.448 -2.404 -6.017 126 HB ILE1122 HB ILE1122 5.021 -2.341 -6.061 127 HG12 ILE1122 HG12 ILE1122 5.099 -1.716 -3.109 128 HG13 ILE1122 HG11 ILE1122 4.813 -0.503 -4.353 129 HG21 ILE1122 HG21 ILE1122 4.550 -4.210 -4.541 130 HG22 ILE1122 HG22 ILE1122 6.093 -3.923 -3.734 131 HG23 ILE1122 HG23 ILE1122 6.061 -4.425 -5.424 132 HD11 ILE1122 HD11 ILE1122 2.733 -1.260 -3.365 133 HD12 ILE1122 HD12 ILE1122 3.110 -2.920 -3.825 134 HD13 ILE1122 HD13 ILE1122 2.823 -1.706 -5.070 135 H SER1123 HN SER1123 5.752 -0.911 -7.335 136 HA SER1123 HA SER1123 6.807 1.765 -7.209 137 HB2 SER1123 HB2 SER1123 6.389 0.961 -9.407 138 HB3 SER1123 HB1 SER1123 4.772 0.403 -8.978 139 HG SER1123 HG SER1123 4.162 2.270 -9.725 140 H LYS1124 HN LYS1124 5.792 3.597 -6.506 141 HA LYS1124 HA LYS1124 3.652 3.396 -4.672 142 HB2 LYS1124 HB2 LYS1124 4.982 5.723 -6.026 143 HB3 LYS1124 HB1 LYS1124 3.576 5.957 -5.000 144 HG2 LYS1124 HG2 LYS1124 4.781 4.914 -3.135 145 HG3 LYS1124 HG1 LYS1124 6.200 4.739 -4.171 146 HD2 LYS1124 HD2 LYS1124 6.348 7.141 -4.430 147 HD3 LYS1124 HD1 LYS1124 4.867 7.359 -3.495 148 HE2 LYS1124 HE2 LYS1124 5.960 6.397 -1.536 149 HE3 LYS1124 HE1 LYS1124 7.435 6.160 -2.471 150 HZ1 LYS1124 HZ1 LYS1124 7.530 8.163 -1.113 151 HZ2 LYS1124 HZ2 LYS1124 6.176 8.787 -1.908 152 HZ3 LYS1124 HZ3 LYS1124 7.614 8.536 -2.762 153 H ASN1125 HN ASN1125 3.705 3.558 -8.084 154 HA ASN1125 HA ASN1125 1.110 4.786 -8.359 155 HB2 ASN1125 HB2 ASN1125 2.875 3.368 -10.361 156 HB3 ASN1125 HB1 ASN1125 1.335 4.115 -10.768 157 HD21 ASN1125 HD21 ASN1125 4.656 4.647 -9.972 158 HD22 ASN1125 HD22 ASN1125 4.672 6.348 -10.282 159 H TRP1126 HN TRP1126 2.284 1.674 -7.688 160 HA TRP1126 HA TRP1126 -0.076 0.303 -8.717 161 HB2 TRP1126 HB2 TRP1126 2.384 -0.718 -7.278 162 HB3 TRP1126 HB1 TRP1126 1.055 -1.732 -7.821 163 HD1 TRP1126 HD1 TRP1126 0.921 0.135 -10.665 164 HE1 TRP1126 HE1 TRP1126 2.597 -0.535 -12.503 165 HE3 TRP1126 HE3 TRP1126 4.225 -2.520 -7.817 166 HZ2 TRP1126 HZ2 TRP1126 4.998 -2.006 -12.713 167 HZ3 TRP1126 HZ3 TRP1126 6.184 -3.529 -8.908 168 HH2 TRP1126 HH2 TRP1126 6.560 -3.276 -11.308 169 H VAL1127 HN VAL1127 0.815 1.943 -5.978 170 HA VAL1127 HA VAL1127 -0.302 0.329 -3.938 171 HB VAL1127 HB VAL1127 0.102 3.326 -3.997 172 HG11 VAL1127 HG11 VAL1127 0.081 3.183 -1.545 173 HG12 VAL1127 HG12 VAL1127 -0.332 1.472 -1.656 174 HG13 VAL1127 HG13 VAL1127 -1.462 2.692 -2.245 175 HG21 VAL1127 HG21 VAL1127 2.184 2.881 -2.830 176 HG22 VAL1127 HG22 VAL1127 2.154 2.051 -4.387 177 HG23 VAL1127 HG23 VAL1127 1.869 1.148 -2.899 178 H CYS1128 HN CYS1128 -2.321 -0.091 -3.477 179 HA CYS1128 HA CYS1128 -4.577 -0.023 -3.351 180 HB2 CYS1128 HB2 CYS1128 -4.055 2.048 -2.088 181 HB3 CYS1128 HB1 CYS1128 -4.196 2.962 -3.573 182 H ASP1129 HN ASP1129 -3.782 -0.774 -5.726 183 HA ASP1129 HA ASP1129 -5.413 0.749 -7.665 184 HB2 ASP1129 HB2 ASP1129 -3.973 0.067 -9.398 185 HB3 ASP1129 HB1 ASP1129 -2.879 0.420 -8.067 186 H THR1130 HN THR1130 -6.025 -1.414 -5.656 187 HA THR1130 HA THR1130 -7.307 -3.214 -5.373 188 HB THR1130 HB THR1130 -9.112 -3.710 -6.999 189 HG1 THR1130 HG1 THR1130 -7.564 -2.217 -8.654 190 HG21 THR1130 HG21 THR1130 -8.775 -0.813 -6.235 191 HG22 THR1130 HG22 THR1130 -9.427 -2.094 -5.213 192 HG23 THR1130 HG23 THR1130 -10.297 -1.593 -6.662 193 H ASP1131 HN ASP1131 -4.692 -3.546 -6.685 194 HA ASP1131 HA ASP1131 -5.108 -6.392 -7.198 195 HB2 ASP1131 HB2 ASP1131 -4.813 -5.194 -9.387 196 HB3 ASP1131 HB1 ASP1131 -3.216 -4.697 -8.840 197 H ASN1132 HN ASN1132 -3.385 -7.695 -6.443 198 HA ASN1132 HA ASN1132 -1.709 -6.297 -4.515 199 HB2 ASN1132 HB2 ASN1132 -2.936 -8.260 -3.717 200 HB3 ASN1132 HB1 ASN1132 -2.125 -9.265 -4.916 201 HD21 ASN1132 HD21 ASN1132 -1.342 -10.560 -3.179 202 HD22 ASN1132 HD22 ASN1132 0.009 -10.033 -2.233 203 H ASP1133 HN ASP1133 0.183 -5.607 -5.114 204 HA ASP1133 HA ASP1133 1.634 -6.968 -7.276 205 HB2 ASP1133 HB2 ASP1133 2.242 -4.272 -6.078 206 HB3 ASP1133 HB1 ASP1133 2.851 -4.929 -7.590 207 H CYS1134 HN CYS1134 1.452 -7.077 -4.057 208 HA CYS1134 HA CYS1134 4.354 -7.331 -3.665 209 HB2 CYS1134 HB2 CYS1134 3.299 -5.197 -2.752 210 HB3 CYS1134 HB1 CYS1134 2.433 -6.222 -1.614 211 H GLY1135 HN GLY1135 4.536 -8.353 -1.202 212 HA2 GLY1135 HA2 GLY1135 3.517 -10.996 -1.480 213 HA3 GLY1135 HA1 GLY1135 4.380 -10.361 -0.089 214 H ASP1136 HN ASP1136 3.047 -8.810 1.279 215 HA ASP1136 HA ASP1136 0.768 -10.243 2.188 216 HB2 ASP1136 HB2 ASP1136 2.166 -9.103 3.782 217 HB3 ASP1136 HB1 ASP1136 1.883 -7.562 2.985 218 H GLY1137 HN GLY1137 1.207 -7.488 0.129 219 HA2 GLY1137 HA2 GLY1137 -0.403 -6.436 -1.206 220 HA3 GLY1137 HA1 GLY1137 -1.660 -7.303 -0.328 221 H SER1138 HN SER1138 0.881 -5.605 1.291 222 HA SER1138 HA SER1138 -0.964 -4.255 2.936 223 HB2 SER1138 HB2 SER1138 1.077 -3.222 3.928 224 HB3 SER1138 HB1 SER1138 1.169 -4.976 3.808 225 HG SER1138 HG SER1138 2.414 -3.035 2.167 226 H ASP1139 HN ASP1139 0.407 -3.474 -0.084 227 HA ASP1139 HA ASP1139 0.345 -0.636 0.099 228 HB2 ASP1139 HB2 ASP1139 0.569 -0.636 -2.307 229 HB3 ASP1139 HB1 ASP1139 1.607 -1.892 -1.652 230 H GLU1140 HN GLU1140 -2.016 -3.077 -0.341 231 HA GLU1140 HA GLU1140 -4.048 -1.166 -1.216 232 HB2 GLU1140 HB2 GLU1140 -4.259 -4.141 -0.675 233 HB3 GLU1140 HB1 GLU1140 -5.491 -3.136 -1.419 234 HG2 GLU1140 HG2 GLU1140 -2.760 -3.570 -2.597 235 HG3 GLU1140 HG1 GLU1140 -4.163 -4.557 -2.991 236 H LYS1141 HN LYS1141 -3.156 -3.188 1.560 237 HA LYS1141 HA LYS1141 -5.580 -2.808 2.987 238 HB2 LYS1141 HB2 LYS1141 -4.660 -4.078 4.670 239 HB3 LYS1141 HB1 LYS1141 -3.711 -4.612 3.295 240 HG2 LYS1141 HG2 LYS1141 -1.919 -3.035 3.998 241 HG3 LYS1141 HG1 LYS1141 -2.871 -2.662 5.432 242 HD2 LYS1141 HD2 LYS1141 -2.800 -5.029 6.082 243 HD3 LYS1141 HD1 LYS1141 -1.809 -5.378 4.666 244 HE2 LYS1141 HE2 LYS1141 -0.358 -5.187 6.538 245 HE3 LYS1141 HE1 LYS1141 -0.126 -3.761 5.537 246 HZ1 LYS1141 HZ1 LYS1141 -0.226 -3.192 7.874 247 HZ2 LYS1141 HZ2 LYS1141 -1.758 -3.891 8.011 248 HZ3 LYS1141 HZ3 LYS1141 -1.540 -2.517 7.053 249 H ASN1142 HN ASN1142 -2.596 -1.002 2.825 250 HA ASN1142 HA ASN1142 -3.177 0.654 5.091 251 HB2 ASN1142 HB2 ASN1142 -0.866 0.267 4.187 252 HB3 ASN1142 HB1 ASN1142 -1.302 1.246 2.791 253 HD21 ASN1142 HD21 ASN1142 0.351 2.697 3.293 254 HD22 ASN1142 HD22 ASN1142 0.188 3.847 4.580 255 H CYS1143 HN CYS1143 -4.182 0.519 1.846 256 HA CYS1143 HA CYS1143 -5.322 3.210 1.927 257 HB2 CYS1143 HB2 CYS1143 -4.229 2.470 -0.159 258 HB3 CYS1143 HB1 CYS1143 -5.347 1.115 -0.264 259 H ASN1144 HN ASN1144 -6.439 2.095 3.879 260 HA ASN1144 HA ASN1144 -8.600 0.305 3.215 261 HB2 ASN1144 HB2 ASN1144 -9.127 0.599 5.712 262 HB3 ASN1144 HB1 ASN1144 -7.611 -0.189 5.290 263 HD21 ASN1144 HD21 ASN1144 -5.689 0.797 5.767 264 HD22 ASN1144 HD22 ASN1144 -5.573 2.230 6.735 265 H SER1145 HN SER1145 -9.307 2.153 1.694 266 HA SER1145 HA SER1145 -11.326 3.731 3.138 267 HB2 SER1145 HB2 SER1145 -11.195 5.282 1.114 268 HB3 SER1145 HB1 SER1145 -9.812 5.303 2.207 269 HG SER1145 HG SER1145 -9.887 3.629 -0.076 270 H THR1146 HN THR1146 -13.396 3.508 2.526 271 HA THR1146 HA THR1146 -14.086 1.269 0.923 272 HB THR1146 HB THR1146 -16.452 2.101 1.270 273 HG1 THR1146 HG1 THR1146 -15.787 4.346 1.541 274 HG21 THR1146 HG21 THR1146 -14.716 1.782 3.723 275 HG22 THR1146 HG22 THR1146 -15.426 0.474 2.775 276 HG23 THR1146 HG23 THR1146 -16.469 1.582 3.668 277 H GLU1147 HN GLU1147 -13.537 1.464 -1.203 278 HA GLU1147 HA GLU1147 -14.020 3.826 -2.736 279 HB2 GLU1147 HB2 GLU1147 -13.326 2.529 -4.650 280 HB3 GLU1147 HB1 GLU1147 -12.267 2.142 -3.303 281 HG2 GLU1147 HG2 GLU1147 -13.562 0.091 -2.906 282 HG3 GLU1147 HG1 GLU1147 -14.563 0.474 -4.303 283 H THR1148 HN THR1148 -15.884 1.153 -1.753 284 HA THR1148 HA THR1148 -18.031 0.521 -2.042 285 HB THR1148 HB THR1148 -18.460 3.057 -3.633 286 HG1 THR1148 HG1 THR1148 -17.585 3.583 -1.601 287 HG21 THR1148 HG21 THR1148 -20.767 2.840 -2.869 288 HG22 THR1148 HG22 THR1148 -20.351 1.375 -1.980 289 HG23 THR1148 HG23 THR1148 -20.272 1.390 -3.741 Start of MODEL 13 1 H1 THR1103 HT1 THR1103 17.792 0.216 14.662 2 H2 THR1103 HT2 THR1103 18.920 0.865 15.733 3 H3 THR1103 HT3 THR1103 19.172 -0.671 15.073 4 HA THR1103 HA THR1103 20.574 0.939 14.002 5 HB THR1103 HB THR1103 19.749 -0.958 12.671 6 HG1 THR1103 HG1 THR1103 20.425 -0.104 10.796 7 HG21 THR1103 HG21 THR1103 17.525 0.906 11.835 8 HG22 THR1103 HG22 THR1103 17.344 -0.532 12.839 9 HG23 THR1103 HG23 THR1103 17.845 -0.690 11.156 10 H HIS1104 HN HIS1104 20.768 2.814 12.668 11 HA HIS1104 HA HIS1104 18.578 4.735 13.027 12 HB2 HIS1104 HB2 HIS1104 21.532 5.050 12.603 13 HB3 HIS1104 HB1 HIS1104 20.436 6.373 12.232 14 HD1 HIS1104 HD1 HIS1104 20.190 7.960 14.093 15 HD2 HIS1104 HD2 HIS1104 20.993 4.117 15.442 16 HE1 HIS1104 HE1 HIS1104 20.364 8.148 16.593 17 HE2 HIS1104 HE2 HIS1104 21.104 5.864 17.350 18 H ALA1105 HN ALA1105 19.648 2.601 10.813 19 HA ALA1105 HA ALA1105 19.176 4.314 8.483 20 HB1 ALA1105 HB1 ALA1105 20.103 2.472 7.176 21 HB2 ALA1105 HB2 ALA1105 20.242 1.498 8.639 22 HB3 ALA1105 HB3 ALA1105 21.208 2.962 8.459 23 HA PRO1106 HA PRO1106 15.092 2.428 8.335 24 HB2 PRO1106 HB2 PRO1106 14.592 4.098 6.019 25 HB3 PRO1106 HB1 PRO1106 13.879 4.202 7.628 26 HG2 PRO1106 HG2 PRO1106 15.596 6.066 6.604 27 HG3 PRO1106 HG1 PRO1106 15.397 5.753 8.337 28 HD2 PRO1106 HD2 PRO1106 17.553 4.840 6.476 29 HD3 PRO1106 HD1 PRO1106 17.665 5.370 8.169 30 H ALA1107 HN ALA1107 14.128 0.902 7.032 31 HA ALA1107 HA ALA1107 15.713 -0.077 4.781 32 HB1 ALA1107 HB1 ALA1107 14.346 -2.089 4.939 33 HB2 ALA1107 HB2 ALA1107 13.340 -1.323 6.168 34 HB3 ALA1107 HB3 ALA1107 15.032 -1.678 6.510 35 H SER1108 HN SER1108 14.368 2.337 4.402 36 HA SER1108 HA SER1108 11.831 1.955 3.158 37 HB2 SER1108 HB2 SER1108 12.302 4.383 2.429 38 HB3 SER1108 HB1 SER1108 12.138 4.054 4.153 39 HG SER1108 HG SER1108 13.984 5.370 3.550 40 H CYS1109 HN CYS1109 11.310 2.179 0.997 41 HA CYS1109 HA CYS1109 13.310 1.161 -0.838 42 HB2 CYS1109 HB2 CYS1109 10.365 1.717 -1.201 43 HB3 CYS1109 HB1 CYS1109 11.401 0.901 -2.370 44 H LEU1110 HN LEU1110 12.542 2.127 -3.218 45 HA LEU1110 HA LEU1110 14.053 4.371 -3.631 46 HB2 LEU1110 HB2 LEU1110 12.682 2.587 -5.155 47 HB3 LEU1110 HB1 LEU1110 11.733 4.026 -5.407 48 HG LEU1110 HG LEU1110 13.775 5.211 -6.176 49 HD11 LEU1110 HD11 LEU1110 15.746 3.885 -6.770 50 HD12 LEU1110 HD12 LEU1110 15.020 2.471 -6.003 51 HD13 LEU1110 HD13 LEU1110 15.454 3.877 -5.031 52 HD21 LEU1110 HD21 LEU1110 13.071 2.682 -7.659 53 HD22 LEU1110 HD22 LEU1110 13.859 4.101 -8.351 54 HD23 LEU1110 HD23 LEU1110 12.204 4.214 -7.753 55 H ASP1111 HN ASP1111 13.368 6.532 -4.432 56 HA ASP1111 HA ASP1111 11.698 7.848 -2.597 57 HB2 ASP1111 HB2 ASP1111 12.653 8.759 -5.319 58 HB3 ASP1111 HB1 ASP1111 11.878 9.800 -4.131 59 H THR1112 HN THR1112 11.115 6.685 -5.883 60 HA THR1112 HA THR1112 8.304 7.439 -5.680 61 HB THR1112 HB THR1112 8.190 6.510 -8.023 62 HG1 THR1112 HG1 THR1112 10.174 6.099 -9.048 63 HG21 THR1112 HG21 THR1112 9.351 8.430 -9.033 64 HG22 THR1112 HG22 THR1112 10.166 8.735 -7.500 65 HG23 THR1112 HG23 THR1112 8.415 8.903 -7.617 66 H GLN1113 HN GLN1113 9.965 4.992 -4.409 67 HA GLN1113 HA GLN1113 7.923 3.018 -5.113 68 HB2 GLN1113 HB2 GLN1113 10.767 2.712 -4.222 69 HB3 GLN1113 HB1 GLN1113 9.622 1.395 -4.038 70 HG2 GLN1113 HG2 GLN1113 9.117 1.816 -6.520 71 HG3 GLN1113 HG1 GLN1113 10.643 2.673 -6.536 72 HE21 GLN1113 HE21 GLN1113 11.878 0.874 -4.597 73 HE22 GLN1113 HE22 GLN1113 12.201 -0.590 -5.445 74 H TYR1114 HN TYR1114 7.030 1.748 -3.589 75 HA TYR1114 HA TYR1114 6.724 3.074 -0.991 76 HB2 TYR1114 HB2 TYR1114 4.675 2.690 -2.331 77 HB3 TYR1114 HB1 TYR1114 5.026 0.971 -2.330 78 HD1 TYR1114 HD1 TYR1114 4.455 3.773 0.052 79 HD2 TYR1114 HD2 TYR1114 4.016 -0.382 -0.742 80 HE1 TYR1114 HE1 TYR1114 3.173 3.525 2.131 81 HE2 TYR1114 HE2 TYR1114 2.724 -0.647 1.335 82 HH TYR1114 HH TYR1114 2.458 0.492 3.492 83 H THR1115 HN THR1115 6.849 1.909 0.895 84 HA THR1115 HA THR1115 8.374 -0.597 0.703 85 HB THR1115 HB THR1115 8.260 1.172 3.142 86 HG1 THR1115 HG1 THR1115 9.079 2.319 1.233 87 HG21 THR1115 HG21 THR1115 10.261 -0.866 2.153 88 HG22 THR1115 HG22 THR1115 9.088 -1.110 3.447 89 HG23 THR1115 HG23 THR1115 10.393 0.059 3.648 90 H CYS1116 HN CYS1116 6.842 -2.149 0.782 91 HA CYS1116 HA CYS1116 4.465 -1.893 2.328 92 HB2 CYS1116 HB2 CYS1116 5.694 -4.211 0.849 93 HB3 CYS1116 HB1 CYS1116 4.157 -4.325 1.701 94 H ASP1117 HN ASP1117 3.831 -3.838 3.794 95 HA ASP1117 HA ASP1117 5.306 -3.609 6.150 96 HB2 ASP1117 HB2 ASP1117 2.960 -4.215 6.163 97 HB3 ASP1117 HB1 ASP1117 3.307 -5.709 5.303 98 H ASN1118 HN ASN1118 5.329 -6.120 3.673 99 HA ASN1118 HA ASN1118 7.292 -7.699 5.089 100 HB2 ASN1118 HB2 ASN1118 7.158 -9.227 3.207 101 HB3 ASN1118 HB1 ASN1118 5.536 -8.769 3.705 102 HD21 ASN1118 HD21 ASN1118 6.435 -9.824 1.180 103 HD22 ASN1118 HD22 ASN1118 6.013 -8.656 -0.028 104 H HIS1119 HN HIS1119 7.676 -4.872 3.902 105 HA HIS1119 HA HIS1119 9.397 -3.623 3.157 106 HB2 HIS1119 HB2 HIS1119 10.940 -6.166 3.670 107 HB3 HIS1119 HB1 HIS1119 11.700 -4.660 3.170 108 HD1 HIS1119 HD1 HIS1119 10.889 -6.503 6.120 109 HD2 HIS1119 HD2 HIS1119 10.978 -2.470 5.107 110 HE1 HIS1119 HE1 HIS1119 11.005 -5.257 8.299 111 HE2 HIS1119 HE2 HIS1119 10.881 -2.828 7.663 112 H GLN1120 HN GLN1120 7.790 -5.389 1.295 113 HA GLN1120 HA GLN1120 9.545 -5.811 -0.931 114 HB2 GLN1120 HB2 GLN1120 7.457 -7.108 -0.659 115 HB3 GLN1120 HB1 GLN1120 6.524 -5.633 -0.872 116 HG2 GLN1120 HG2 GLN1120 6.591 -6.983 -2.908 117 HG3 GLN1120 HG1 GLN1120 7.343 -5.405 -3.139 118 HE21 GLN1120 HE21 GLN1120 7.881 -8.823 -2.864 119 HE22 GLN1120 HE22 GLN1120 9.505 -8.824 -3.455 120 H CYS1121 HN CYS1121 10.009 -4.457 -2.569 121 HA CYS1121 HA CYS1121 9.132 -1.685 -2.221 122 HB2 CYS1121 HB2 CYS1121 11.506 -2.864 -3.671 123 HB3 CYS1121 HB1 CYS1121 11.101 -1.150 -3.674 124 H ILE1122 HN ILE1122 7.332 -1.379 -3.352 125 HA ILE1122 HA ILE1122 7.338 -2.129 -6.205 126 HB ILE1122 HB ILE1122 4.900 -2.038 -6.148 127 HG12 ILE1122 HG12 ILE1122 5.240 -1.571 -3.185 128 HG13 ILE1122 HG11 ILE1122 4.680 -0.375 -4.345 129 HG21 ILE1122 HG21 ILE1122 6.086 -3.838 -4.041 130 HG22 ILE1122 HG22 ILE1122 5.943 -4.183 -5.764 131 HG23 ILE1122 HG23 ILE1122 4.494 -4.044 -4.770 132 HD11 ILE1122 HD11 ILE1122 2.845 -1.347 -3.078 133 HD12 ILE1122 HD12 ILE1122 3.283 -2.949 -3.674 134 HD13 ILE1122 HD13 ILE1122 2.715 -1.715 -4.798 135 H SER1123 HN SER1123 6.127 -0.578 -7.587 136 HA SER1123 HA SER1123 6.873 2.128 -7.105 137 HB2 SER1123 HB2 SER1123 6.671 1.278 -9.392 138 HB3 SER1123 HB1 SER1123 4.966 0.917 -9.134 139 HG SER1123 HG SER1123 5.317 3.471 -8.525 140 H LYS1124 HN LYS1124 5.655 3.828 -6.368 141 HA LYS1124 HA LYS1124 3.553 3.254 -4.579 142 HB2 LYS1124 HB2 LYS1124 4.241 5.932 -5.793 143 HB3 LYS1124 HB1 LYS1124 3.313 5.659 -4.327 144 HG2 LYS1124 HG2 LYS1124 5.388 4.546 -3.387 145 HG3 LYS1124 HG1 LYS1124 6.240 5.196 -4.786 146 HD2 LYS1124 HD2 LYS1124 5.701 7.442 -4.173 147 HD3 LYS1124 HD1 LYS1124 4.636 6.889 -2.879 148 HE2 LYS1124 HE2 LYS1124 6.575 5.901 -1.736 149 HE3 LYS1124 HE1 LYS1124 7.624 6.510 -3.016 150 HZ1 LYS1124 HZ1 LYS1124 7.677 7.987 -1.140 151 HZ2 LYS1124 HZ2 LYS1124 5.995 8.148 -1.149 152 HZ3 LYS1124 HZ3 LYS1124 6.910 8.771 -2.428 153 H ASN1125 HN ASN1125 3.587 3.685 -7.938 154 HA ASN1125 HA ASN1125 0.915 4.594 -8.309 155 HB2 ASN1125 HB2 ASN1125 2.840 4.702 -9.981 156 HB3 ASN1125 HB1 ASN1125 2.551 2.993 -10.279 157 HD21 ASN1125 HD21 ASN1125 0.760 2.369 -11.451 158 HD22 ASN1125 HD22 ASN1125 -0.248 3.498 -12.286 159 H TRP1126 HN TRP1126 2.338 1.555 -7.553 160 HA TRP1126 HA TRP1126 0.085 -0.020 -8.487 161 HB2 TRP1126 HB2 TRP1126 2.476 -0.839 -6.814 162 HB3 TRP1126 HB1 TRP1126 1.286 -1.930 -7.501 163 HD1 TRP1126 HD1 TRP1126 1.853 0.484 -10.138 164 HE1 TRP1126 HE1 TRP1126 3.609 -0.347 -11.823 165 HE3 TRP1126 HE3 TRP1126 3.858 -3.343 -7.399 166 HZ2 TRP1126 HZ2 TRP1126 5.585 -2.354 -11.973 167 HZ3 TRP1126 HZ3 TRP1126 5.681 -4.667 -8.390 168 HH2 TRP1126 HH2 TRP1126 6.523 -4.183 -10.630 169 H VAL1127 HN VAL1127 0.979 1.715 -5.725 170 HA VAL1127 HA VAL1127 -0.285 0.179 -3.714 171 HB VAL1127 HB VAL1127 0.286 3.151 -3.796 172 HG11 VAL1127 HG11 VAL1127 0.131 3.065 -1.349 173 HG12 VAL1127 HG12 VAL1127 -0.367 1.375 -1.447 174 HG13 VAL1127 HG13 VAL1127 -1.399 2.638 -2.116 175 HG21 VAL1127 HG21 VAL1127 2.275 1.735 -4.054 176 HG22 VAL1127 HG22 VAL1127 1.865 0.902 -2.555 177 HG23 VAL1127 HG23 VAL1127 2.281 2.616 -2.527 178 H CYS1128 HN CYS1128 -2.330 -0.241 -3.505 179 HA CYS1128 HA CYS1128 -4.583 -0.137 -3.587 180 HB2 CYS1128 HB2 CYS1128 -4.301 1.928 -2.270 181 HB3 CYS1128 HB1 CYS1128 -4.177 2.854 -3.756 182 H ASP1129 HN ASP1129 -3.623 -0.976 -5.795 183 HA ASP1129 HA ASP1129 -5.131 0.445 -7.901 184 HB2 ASP1129 HB2 ASP1129 -3.641 -0.365 -9.551 185 HB3 ASP1129 HB1 ASP1129 -2.606 0.174 -8.235 186 H THR1130 HN THR1130 -5.908 -1.511 -5.823 187 HA THR1130 HA THR1130 -7.454 -3.094 -5.536 188 HB THR1130 HB THR1130 -9.049 -3.666 -7.239 189 HG1 THR1130 HG1 THR1130 -7.016 -3.048 -8.958 190 HG21 THR1130 HG21 THR1130 -8.247 -0.769 -7.467 191 HG22 THR1130 HG22 THR1130 -9.230 -1.471 -6.183 192 HG23 THR1130 HG23 THR1130 -9.835 -1.440 -7.840 193 H ASP1131 HN ASP1131 -4.616 -3.695 -6.648 194 HA ASP1131 HA ASP1131 -5.106 -6.587 -6.678 195 HB2 ASP1131 HB2 ASP1131 -4.567 -5.804 -8.977 196 HB3 ASP1131 HB1 ASP1131 -3.031 -5.191 -8.380 197 H ASN1132 HN ASN1132 -3.855 -7.716 -5.318 198 HA ASN1132 HA ASN1132 -2.166 -6.307 -3.482 199 HB2 ASN1132 HB2 ASN1132 -2.749 -9.259 -3.815 200 HB3 ASN1132 HB1 ASN1132 -1.812 -8.577 -2.491 201 HD21 ASN1132 HD21 ASN1132 -4.341 -10.068 -2.502 202 HD22 ASN1132 HD22 ASN1132 -5.478 -9.060 -1.679 203 H ASP1133 HN ASP1133 -0.180 -5.672 -4.094 204 HA ASP1133 HA ASP1133 1.276 -7.298 -6.033 205 HB2 ASP1133 HB2 ASP1133 1.827 -4.519 -4.994 206 HB3 ASP1133 HB1 ASP1133 2.863 -5.372 -6.130 207 H CYS1134 HN CYS1134 1.676 -5.912 -2.820 208 HA CYS1134 HA CYS1134 4.191 -7.278 -2.434 209 HB2 CYS1134 HB2 CYS1134 2.492 -5.606 -0.585 210 HB3 CYS1134 HB1 CYS1134 4.058 -6.280 -0.149 211 H GLY1135 HN GLY1135 2.803 -9.314 -2.980 212 HA2 GLY1135 HA2 GLY1135 2.193 -11.393 -2.232 213 HA3 GLY1135 HA1 GLY1135 2.819 -10.919 -0.662 214 H ASP1136 HN ASP1136 1.444 -10.138 0.894 215 HA ASP1136 HA ASP1136 -1.261 -10.983 0.737 216 HB2 ASP1136 HB2 ASP1136 0.186 -9.336 2.791 217 HB3 ASP1136 HB1 ASP1136 -1.469 -9.895 2.978 218 H GLY1137 HN GLY1137 0.400 -8.021 0.120 219 HA2 GLY1137 HA2 GLY1137 -0.495 -6.335 -1.263 220 HA3 GLY1137 HA1 GLY1137 -2.110 -6.910 -0.884 221 H SER1138 HN SER1138 0.554 -5.946 1.252 222 HA SER1138 HA SER1138 -1.093 -4.491 3.004 223 HB2 SER1138 HB2 SER1138 1.121 -3.498 3.781 224 HB3 SER1138 HB1 SER1138 1.014 -5.256 3.817 225 HG SER1138 HG SER1138 2.101 -3.828 1.628 226 H ASP1139 HN ASP1139 0.233 -3.692 -0.050 227 HA ASP1139 HA ASP1139 0.299 -0.856 0.258 228 HB2 ASP1139 HB2 ASP1139 0.602 -0.815 -2.159 229 HB3 ASP1139 HB1 ASP1139 1.630 -2.049 -1.443 230 H GLU1140 HN GLU1140 -2.179 -3.143 -0.228 231 HA GLU1140 HA GLU1140 -4.037 -1.160 -1.312 232 HB2 GLU1140 HB2 GLU1140 -4.450 -4.083 -0.629 233 HB3 GLU1140 HB1 GLU1140 -5.614 -3.046 -1.437 234 HG2 GLU1140 HG2 GLU1140 -2.903 -3.743 -2.539 235 HG3 GLU1140 HG1 GLU1140 -4.398 -4.579 -2.950 236 H LYS1141 HN LYS1141 -3.137 -2.667 1.670 237 HA LYS1141 HA LYS1141 -5.663 -2.478 2.974 238 HB2 LYS1141 HB2 LYS1141 -4.593 -3.293 4.895 239 HB3 LYS1141 HB1 LYS1141 -3.728 -4.040 3.568 240 HG2 LYS1141 HG2 LYS1141 -1.907 -2.478 3.824 241 HG3 LYS1141 HG1 LYS1141 -2.800 -1.596 5.059 242 HD2 LYS1141 HD2 LYS1141 -2.740 -3.528 6.522 243 HD3 LYS1141 HD1 LYS1141 -1.920 -4.470 5.276 244 HE2 LYS1141 HE2 LYS1141 -0.350 -3.657 6.949 245 HE3 LYS1141 HE1 LYS1141 -0.013 -2.958 5.372 246 HZ1 LYS1141 HZ1 LYS1141 -1.507 -1.597 7.545 247 HZ2 LYS1141 HZ2 LYS1141 -1.068 -0.921 6.062 248 HZ3 LYS1141 HZ3 LYS1141 0.122 -1.335 7.186 249 H ASN1142 HN ASN1142 -3.092 -0.259 2.459 250 HA ASN1142 HA ASN1142 -4.000 1.462 4.643 251 HB2 ASN1142 HB2 ASN1142 -1.970 2.764 4.244 252 HB3 ASN1142 HB1 ASN1142 -1.586 1.064 4.468 253 HD21 ASN1142 HD21 ASN1142 -1.675 3.713 2.235 254 HD22 ASN1142 HD22 ASN1142 -0.769 2.944 0.978 255 H CYS1143 HN CYS1143 -5.297 0.984 1.890 256 HA CYS1143 HA CYS1143 -5.232 3.674 0.795 257 HB2 CYS1143 HB2 CYS1143 -5.293 1.623 -0.667 258 HB3 CYS1143 HB1 CYS1143 -6.937 1.348 -0.102 259 H ASN1144 HN ASN1144 -6.171 4.892 2.419 260 HA ASN1144 HA ASN1144 -8.789 4.196 3.437 261 HB2 ASN1144 HB2 ASN1144 -8.576 6.195 4.818 262 HB3 ASN1144 HB1 ASN1144 -7.107 5.231 4.919 263 HD21 ASN1144 HD21 ASN1144 -7.619 8.093 5.399 264 HD22 ASN1144 HD22 ASN1144 -6.499 8.941 4.389 265 H SER1145 HN SER1145 -7.495 5.975 0.849 266 HA SER1145 HA SER1145 -9.659 7.824 0.541 267 HB2 SER1145 HB2 SER1145 -8.538 8.113 -1.764 268 HB3 SER1145 HB1 SER1145 -7.602 8.564 -0.339 269 HG SER1145 HG SER1145 -6.401 7.270 -1.824 270 H THR1146 HN THR1146 -8.546 5.597 -1.941 271 HA THR1146 HA THR1146 -11.310 5.153 -2.721 272 HB THR1146 HB THR1146 -10.241 4.030 -4.719 273 HG1 THR1146 HG1 THR1146 -8.179 3.719 -3.499 274 HG21 THR1146 HG21 THR1146 -11.021 6.323 -4.840 275 HG22 THR1146 HG22 THR1146 -9.494 6.178 -5.711 276 HG23 THR1146 HG23 THR1146 -9.527 6.900 -4.100 277 H GLU1147 HN GLU1147 -11.634 3.850 -0.719 278 HA GLU1147 HA GLU1147 -10.384 1.274 -0.560 279 HB2 GLU1147 HB2 GLU1147 -12.077 0.838 1.223 280 HB3 GLU1147 HB1 GLU1147 -11.114 2.282 1.493 281 HG2 GLU1147 HG2 GLU1147 -12.951 3.668 0.693 282 HG3 GLU1147 HG1 GLU1147 -13.916 2.222 0.399 283 H THR1148 HN THR1148 -12.996 2.601 -2.287 284 HA THR1148 HA THR1148 -14.387 0.149 -2.785 285 HB THR1148 HB THR1148 -15.305 1.551 -4.775 286 HG1 THR1148 HG1 THR1148 -14.340 3.417 -4.995 287 HG21 THR1148 HG21 THR1148 -15.776 2.417 -1.920 288 HG22 THR1148 HG22 THR1148 -16.583 1.086 -2.748 289 HG23 THR1148 HG23 THR1148 -16.848 2.746 -3.282 Start of MODEL 14 1 H1 THR1103 HT1 THR1103 12.563 -6.472 11.891 2 H2 THR1103 HT2 THR1103 11.010 -7.111 11.713 3 H3 THR1103 HT3 THR1103 12.280 -8.106 12.219 4 HA THR1103 HA THR1103 10.915 -7.573 14.083 5 HB THR1103 HB THR1103 13.461 -5.952 14.256 6 HG1 THR1103 HG1 THR1103 14.189 -7.879 13.536 7 HG21 THR1103 HG21 THR1103 11.987 -5.785 16.205 8 HG22 THR1103 HG22 THR1103 13.453 -6.686 16.594 9 HG23 THR1103 HG23 THR1103 11.937 -7.544 16.321 10 H HIS1104 HN HIS1104 12.184 -4.636 12.492 11 HA HIS1104 HA HIS1104 9.755 -3.234 12.906 12 HB2 HIS1104 HB2 HIS1104 10.628 -3.095 15.213 13 HB3 HIS1104 HB1 HIS1104 12.088 -2.324 14.605 14 HD1 HIS1104 HD1 HIS1104 12.004 0.171 14.197 15 HD2 HIS1104 HD2 HIS1104 8.268 -1.471 15.007 16 HE1 HIS1104 HE1 HIS1104 10.449 2.127 14.491 17 HE2 HIS1104 HE2 HIS1104 8.226 1.114 15.086 18 H ALA1105 HN ALA1105 13.214 -3.047 12.260 19 HA ALA1105 HA ALA1105 13.360 -0.580 11.012 20 HB1 ALA1105 HB1 ALA1105 14.924 -3.067 10.331 21 HB2 ALA1105 HB2 ALA1105 15.319 -1.914 11.604 22 HB3 ALA1105 HB3 ALA1105 15.372 -1.414 9.915 23 HA PRO1106 HA PRO1106 10.916 -1.411 7.369 24 HB2 PRO1106 HB2 PRO1106 10.918 1.096 6.399 25 HB3 PRO1106 HB1 PRO1106 9.966 0.650 7.820 26 HG2 PRO1106 HG2 PRO1106 12.594 2.065 7.664 27 HG3 PRO1106 HG1 PRO1106 11.212 2.377 8.730 28 HD2 PRO1106 HD2 PRO1106 13.466 0.981 9.474 29 HD3 PRO1106 HD1 PRO1106 11.878 0.805 10.244 30 H ALA1107 HN ALA1107 11.273 -1.599 5.143 31 HA ALA1107 HA ALA1107 14.051 -1.756 4.384 32 HB1 ALA1107 HB1 ALA1107 13.221 -2.730 2.301 33 HB2 ALA1107 HB2 ALA1107 11.567 -2.343 2.773 34 HB3 ALA1107 HB3 ALA1107 12.497 -3.513 3.705 35 H SER1108 HN SER1108 15.153 -0.151 3.516 36 HA SER1108 HA SER1108 13.888 2.287 2.746 37 HB2 SER1108 HB2 SER1108 16.285 2.893 2.096 38 HB3 SER1108 HB1 SER1108 16.002 2.494 3.789 39 HG SER1108 HG SER1108 17.451 1.004 3.547 40 H CYS1109 HN CYS1109 12.713 2.258 0.933 41 HA CYS1109 HA CYS1109 13.798 0.934 -1.446 42 HB2 CYS1109 HB2 CYS1109 11.006 1.953 -0.888 43 HB3 CYS1109 HB1 CYS1109 11.511 1.088 -2.336 44 H LEU1110 HN LEU1110 12.472 2.276 -3.415 45 HA LEU1110 HA LEU1110 14.115 4.560 -3.824 46 HB2 LEU1110 HB2 LEU1110 12.852 2.844 -5.437 47 HB3 LEU1110 HB1 LEU1110 11.652 4.107 -5.422 48 HG LEU1110 HG LEU1110 13.294 5.698 -6.304 49 HD11 LEU1110 HD11 LEU1110 15.134 3.309 -6.377 50 HD12 LEU1110 HD12 LEU1110 15.337 4.758 -5.395 51 HD13 LEU1110 HD13 LEU1110 15.450 4.860 -7.150 52 HD21 LEU1110 HD21 LEU1110 13.454 4.689 -8.549 53 HD22 LEU1110 HD22 LEU1110 11.860 4.475 -7.824 54 HD23 LEU1110 HD23 LEU1110 12.998 3.129 -7.857 55 H ASP1111 HN ASP1111 13.028 6.683 -4.608 56 HA ASP1111 HA ASP1111 11.361 7.657 -2.491 57 HB2 ASP1111 HB2 ASP1111 12.530 8.913 -4.959 58 HB3 ASP1111 HB1 ASP1111 11.348 9.770 -3.978 59 H THR1112 HN THR1112 10.915 6.827 -5.889 60 HA THR1112 HA THR1112 8.070 7.391 -5.691 61 HB THR1112 HB THR1112 8.052 6.509 -8.083 62 HG1 THR1112 HG1 THR1112 10.724 7.037 -8.395 63 HG21 THR1112 HG21 THR1112 8.957 8.590 -8.987 64 HG22 THR1112 HG22 THR1112 9.779 8.906 -7.460 65 HG23 THR1112 HG23 THR1112 8.017 8.897 -7.528 66 H GLN1113 HN GLN1113 9.918 4.973 -4.602 67 HA GLN1113 HA GLN1113 7.990 2.882 -5.262 68 HB2 GLN1113 HB2 GLN1113 10.731 2.850 -4.051 69 HB3 GLN1113 HB1 GLN1113 9.653 1.477 -3.874 70 HG2 GLN1113 HG2 GLN1113 9.447 1.419 -6.346 71 HG3 GLN1113 HG1 GLN1113 10.699 2.650 -6.430 72 HE21 GLN1113 HE21 GLN1113 10.708 -0.074 -7.450 73 HE22 GLN1113 HE22 GLN1113 12.074 -0.848 -6.718 74 H TYR1114 HN TYR1114 7.139 1.574 -3.623 75 HA TYR1114 HA TYR1114 6.774 2.967 -1.052 76 HB2 TYR1114 HB2 TYR1114 4.689 2.745 -2.344 77 HB3 TYR1114 HB1 TYR1114 4.954 1.014 -2.450 78 HD1 TYR1114 HD1 TYR1114 4.596 3.684 0.123 79 HD2 TYR1114 HD2 TYR1114 3.887 -0.374 -0.937 80 HE1 TYR1114 HE1 TYR1114 3.328 3.368 2.206 81 HE2 TYR1114 HE2 TYR1114 2.619 -0.701 1.144 82 HH TYR1114 HH TYR1114 1.557 1.874 3.064 83 H THR1115 HN THR1115 6.853 1.742 0.807 84 HA THR1115 HA THR1115 8.279 -0.803 0.536 85 HB THR1115 HB THR1115 7.996 0.833 3.060 86 HG1 THR1115 HG1 THR1115 10.462 0.967 2.001 87 HG21 THR1115 HG21 THR1115 9.916 -0.469 3.801 88 HG22 THR1115 HG22 THR1115 9.991 -1.282 2.242 89 HG23 THR1115 HG23 THR1115 8.616 -1.558 3.309 90 H CYS1116 HN CYS1116 6.896 -2.425 0.496 91 HA CYS1116 HA CYS1116 4.327 -2.433 1.643 92 HB2 CYS1116 HB2 CYS1116 6.074 -4.801 0.956 93 HB3 CYS1116 HB1 CYS1116 4.331 -4.832 1.190 94 H ASP1117 HN ASP1117 3.551 -3.809 3.387 95 HA ASP1117 HA ASP1117 4.925 -3.537 5.810 96 HB2 ASP1117 HB2 ASP1117 2.486 -3.913 5.630 97 HB3 ASP1117 HB1 ASP1117 2.789 -5.559 5.088 98 H ASN1118 HN ASN1118 4.946 -6.017 3.376 99 HA ASN1118 HA ASN1118 6.401 -7.950 4.915 100 HB2 ASN1118 HB2 ASN1118 6.010 -7.824 1.924 101 HB3 ASN1118 HB1 ASN1118 6.543 -9.219 2.839 102 HD21 ASN1118 HD21 ASN1118 5.049 -10.359 4.029 103 HD22 ASN1118 HD22 ASN1118 3.352 -10.161 3.781 104 H HIS1119 HN HIS1119 7.432 -5.088 4.174 105 HA HIS1119 HA HIS1119 9.430 -4.064 3.809 106 HB2 HIS1119 HB2 HIS1119 10.547 -6.845 4.299 107 HB3 HIS1119 HB1 HIS1119 11.507 -5.374 4.233 108 HD1 HIS1119 HD1 HIS1119 9.374 -7.396 6.478 109 HD2 HIS1119 HD2 HIS1119 11.139 -3.631 6.466 110 HE1 HIS1119 HE1 HIS1119 9.281 -6.601 8.855 111 HE2 HIS1119 HE2 HIS1119 10.164 -4.245 8.781 112 H GLN1120 HN GLN1120 8.110 -4.507 1.549 113 HA GLN1120 HA GLN1120 10.143 -5.482 -0.344 114 HB2 GLN1120 HB2 GLN1120 8.222 -7.020 -0.233 115 HB3 GLN1120 HB1 GLN1120 7.136 -5.693 -0.614 116 HG2 GLN1120 HG2 GLN1120 7.574 -7.105 -2.556 117 HG3 GLN1120 HG1 GLN1120 8.146 -5.456 -2.802 118 HE21 GLN1120 HE21 GLN1120 9.076 -8.764 -2.286 119 HE22 GLN1120 HE22 GLN1120 10.733 -8.576 -2.748 120 H CYS1121 HN CYS1121 10.363 -4.328 -2.284 121 HA CYS1121 HA CYS1121 9.396 -1.567 -2.090 122 HB2 CYS1121 HB2 CYS1121 11.709 -2.730 -3.653 123 HB3 CYS1121 HB1 CYS1121 11.277 -1.023 -3.594 124 H ILE1122 HN ILE1122 7.536 -1.370 -3.172 125 HA ILE1122 HA ILE1122 7.469 -2.336 -5.960 126 HB ILE1122 HB ILE1122 5.040 -2.274 -5.861 127 HG12 ILE1122 HG12 ILE1122 5.293 -1.702 -2.908 128 HG13 ILE1122 HG11 ILE1122 4.961 -0.455 -4.106 129 HG21 ILE1122 HG21 ILE1122 6.140 -4.364 -5.310 130 HG22 ILE1122 HG22 ILE1122 4.676 -4.172 -4.344 131 HG23 ILE1122 HG23 ILE1122 6.257 -3.879 -3.618 132 HD11 ILE1122 HD11 ILE1122 3.250 -2.853 -3.511 133 HD12 ILE1122 HD12 ILE1122 2.923 -1.644 -4.751 134 HD13 ILE1122 HD13 ILE1122 2.920 -1.184 -3.049 135 H SER1123 HN SER1123 5.906 -0.870 -7.304 136 HA SER1123 HA SER1123 6.877 1.827 -7.097 137 HB2 SER1123 HB2 SER1123 6.564 0.845 -9.302 138 HB3 SER1123 HB1 SER1123 4.855 0.565 -8.966 139 HG SER1123 HG SER1123 4.489 2.525 -9.607 140 H LYS1124 HN LYS1124 5.774 3.639 -6.475 141 HA LYS1124 HA LYS1124 3.639 3.366 -4.651 142 HB2 LYS1124 HB2 LYS1124 4.888 5.740 -6.001 143 HB3 LYS1124 HB1 LYS1124 3.489 5.922 -4.955 144 HG2 LYS1124 HG2 LYS1124 4.769 4.851 -3.130 145 HG3 LYS1124 HG1 LYS1124 6.178 4.813 -4.190 146 HD2 LYS1124 HD2 LYS1124 6.210 7.213 -4.323 147 HD3 LYS1124 HD1 LYS1124 4.690 7.326 -3.437 148 HE2 LYS1124 HE2 LYS1124 7.267 6.209 -2.341 149 HE3 LYS1124 HE1 LYS1124 6.648 7.829 -2.027 150 HZ1 LYS1124 HZ1 LYS1124 5.256 5.308 -1.304 151 HZ2 LYS1124 HZ2 LYS1124 4.729 6.872 -0.952 152 HZ3 LYS1124 HZ3 LYS1124 6.137 6.273 -0.232 153 H ASN1125 HN ASN1125 3.702 3.639 -8.066 154 HA ASN1125 HA ASN1125 1.005 4.605 -8.323 155 HB2 ASN1125 HB2 ASN1125 3.046 3.560 -10.252 156 HB3 ASN1125 HB1 ASN1125 1.374 3.767 -10.757 157 HD21 ASN1125 HD21 ASN1125 1.977 5.348 -12.237 158 HD22 ASN1125 HD22 ASN1125 2.388 6.951 -11.736 159 H TRP1126 HN TRP1126 2.327 1.666 -7.461 160 HA TRP1126 HA TRP1126 0.122 0.078 -8.544 161 HB2 TRP1126 HB2 TRP1126 2.471 -0.732 -6.811 162 HB3 TRP1126 HB1 TRP1126 1.279 -1.832 -7.480 163 HD1 TRP1126 HD1 TRP1126 1.808 0.406 -10.231 164 HE1 TRP1126 HE1 TRP1126 3.626 -0.444 -11.842 165 HE3 TRP1126 HE3 TRP1126 3.953 -3.133 -7.234 166 HZ2 TRP1126 HZ2 TRP1126 5.696 -2.362 -11.841 167 HZ3 TRP1126 HZ3 TRP1126 5.847 -4.431 -8.114 168 HH2 TRP1126 HH2 TRP1126 6.697 -4.055 -10.372 169 H VAL1127 HN VAL1127 0.973 1.846 -5.793 170 HA VAL1127 HA VAL1127 -0.261 0.339 -3.763 171 HB VAL1127 HB VAL1127 0.224 3.321 -3.908 172 HG11 VAL1127 HG11 VAL1127 -0.392 1.575 -1.524 173 HG12 VAL1127 HG12 VAL1127 -1.450 2.804 -2.217 174 HG13 VAL1127 HG13 VAL1127 0.071 3.276 -1.458 175 HG21 VAL1127 HG21 VAL1127 2.223 2.847 -2.604 176 HG22 VAL1127 HG22 VAL1127 2.251 1.969 -4.134 177 HG23 VAL1127 HG23 VAL1127 1.852 1.123 -2.638 178 H CYS1128 HN CYS1128 -2.300 -0.116 -3.492 179 HA CYS1128 HA CYS1128 -4.555 0.023 -3.348 180 HB2 CYS1128 HB2 CYS1128 -3.674 2.396 -2.455 181 HB3 CYS1128 HB1 CYS1128 -4.639 2.931 -3.811 182 H ASP1129 HN ASP1129 -3.563 -0.633 -5.800 183 HA ASP1129 HA ASP1129 -5.183 0.858 -7.755 184 HB2 ASP1129 HB2 ASP1129 -3.752 0.052 -9.446 185 HB3 ASP1129 HB1 ASP1129 -2.664 0.380 -8.105 186 H THR1130 HN THR1130 -6.025 -1.135 -5.715 187 HA THR1130 HA THR1130 -7.408 -2.852 -5.387 188 HB THR1130 HB THR1130 -9.121 -3.408 -7.081 189 HG1 THR1130 HG1 THR1130 -7.380 -2.318 -8.782 190 HG21 THR1130 HG21 THR1130 -10.207 -1.208 -7.085 191 HG22 THR1130 HG22 THR1130 -8.682 -0.463 -6.610 192 HG23 THR1130 HG23 THR1130 -9.491 -1.587 -5.521 193 H ASP1131 HN ASP1131 -4.725 -3.373 -6.410 194 HA ASP1131 HA ASP1131 -5.184 -6.211 -6.941 195 HB2 ASP1131 HB2 ASP1131 -4.672 -5.052 -9.095 196 HB3 ASP1131 HB1 ASP1131 -3.123 -4.566 -8.420 197 H ASN1132 HN ASN1132 -3.942 -7.478 -5.664 198 HA ASN1132 HA ASN1132 -2.291 -6.200 -3.692 199 HB2 ASN1132 HB2 ASN1132 -3.019 -9.082 -4.207 200 HB3 ASN1132 HB1 ASN1132 -1.907 -8.606 -2.930 201 HD21 ASN1132 HD21 ASN1132 -3.272 -9.415 -1.350 202 HD22 ASN1132 HD22 ASN1132 -4.733 -8.612 -0.894 203 H ASP1133 HN ASP1133 -0.355 -5.455 -4.382 204 HA ASP1133 HA ASP1133 1.251 -7.065 -6.199 205 HB2 ASP1133 HB2 ASP1133 1.785 -4.353 -4.982 206 HB3 ASP1133 HB1 ASP1133 2.860 -5.169 -6.106 207 H CYS1134 HN CYS1134 1.422 -5.753 -2.932 208 HA CYS1134 HA CYS1134 3.887 -7.018 -2.277 209 HB2 CYS1134 HB2 CYS1134 1.755 -6.125 -0.334 210 HB3 CYS1134 HB1 CYS1134 3.485 -6.266 -0.044 211 H GLY1135 HN GLY1135 4.061 -8.650 -0.480 212 HA2 GLY1135 HA2 GLY1135 2.981 -11.070 -1.193 213 HA3 GLY1135 HA1 GLY1135 3.607 -10.718 0.408 214 H ASP1136 HN ASP1136 1.821 -9.025 1.493 215 HA ASP1136 HA ASP1136 -0.636 -10.630 1.523 216 HB2 ASP1136 HB2 ASP1136 0.554 -8.811 3.590 217 HB3 ASP1136 HB1 ASP1136 -1.046 -9.520 3.741 218 H GLY1137 HN GLY1137 0.154 -8.305 -0.292 219 HA2 GLY1137 HA2 GLY1137 -0.875 -6.502 -1.276 220 HA3 GLY1137 HA1 GLY1137 -2.368 -7.152 -0.616 221 H SER1138 HN SER1138 0.469 -5.912 1.092 222 HA SER1138 HA SER1138 -1.095 -4.506 2.964 223 HB2 SER1138 HB2 SER1138 1.100 -3.568 3.704 224 HB3 SER1138 HB1 SER1138 1.090 -5.325 3.573 225 HG SER1138 HG SER1138 2.013 -3.604 1.510 226 H ASP1139 HN ASP1139 0.203 -3.651 -0.120 227 HA ASP1139 HA ASP1139 0.226 -0.823 0.233 228 HB2 ASP1139 HB2 ASP1139 0.536 -0.722 -2.174 229 HB3 ASP1139 HB1 ASP1139 1.545 -1.998 -1.509 230 H GLU1140 HN GLU1140 -2.229 -3.108 -0.188 231 HA GLU1140 HA GLU1140 -4.145 -1.109 -1.191 232 HB2 GLU1140 HB2 GLU1140 -4.490 -4.091 -0.742 233 HB3 GLU1140 HB1 GLU1140 -5.636 -3.020 -1.527 234 HG2 GLU1140 HG2 GLU1140 -2.872 -3.538 -2.577 235 HG3 GLU1140 HG1 GLU1140 -4.287 -4.477 -3.046 236 H LYS1141 HN LYS1141 -3.055 -2.559 1.718 237 HA LYS1141 HA LYS1141 -5.670 -2.633 2.965 238 HB2 LYS1141 HB2 LYS1141 -4.692 -3.756 4.774 239 HB3 LYS1141 HB1 LYS1141 -3.833 -4.355 3.366 240 HG2 LYS1141 HG2 LYS1141 -1.936 -2.954 3.872 241 HG3 LYS1141 HG1 LYS1141 -2.811 -2.198 5.201 242 HD2 LYS1141 HD2 LYS1141 -2.929 -4.377 6.332 243 HD3 LYS1141 HD1 LYS1141 -2.005 -5.097 5.011 244 HE2 LYS1141 HE2 LYS1141 -0.596 -4.561 6.947 245 HE3 LYS1141 HE1 LYS1141 -0.116 -3.670 5.509 246 HZ1 LYS1141 HZ1 LYS1141 -1.855 -2.539 7.630 247 HZ2 LYS1141 HZ2 LYS1141 -1.129 -1.710 6.345 248 HZ3 LYS1141 HZ3 LYS1141 -0.177 -2.338 7.593 249 H ASN1142 HN ASN1142 -2.784 -0.618 3.109 250 HA ASN1142 HA ASN1142 -4.259 1.168 4.925 251 HB2 ASN1142 HB2 ASN1142 -2.046 1.882 5.849 252 HB3 ASN1142 HB1 ASN1142 -2.473 0.217 6.213 253 HD21 ASN1142 HD21 ASN1142 -0.439 2.297 4.301 254 HD22 ASN1142 HD22 ASN1142 0.745 1.097 3.892 255 H CYS1143 HN CYS1143 -4.618 1.469 2.306 256 HA CYS1143 HA CYS1143 -2.800 3.576 1.436 257 HB2 CYS1143 HB2 CYS1143 -3.767 3.147 -0.811 258 HB3 CYS1143 HB1 CYS1143 -2.932 1.748 -0.140 259 H ASN1144 HN ASN1144 -3.551 5.543 1.065 260 HA ASN1144 HA ASN1144 -6.212 6.233 1.898 261 HB2 ASN1144 HB2 ASN1144 -5.577 8.493 1.662 262 HB3 ASN1144 HB1 ASN1144 -4.107 7.684 2.187 263 HD21 ASN1144 HD21 ASN1144 -5.649 9.468 -0.296 264 HD22 ASN1144 HD22 ASN1144 -4.291 9.592 -1.356 265 H SER1145 HN SER1145 -7.964 6.481 0.631 266 HA SER1145 HA SER1145 -7.799 5.795 -2.135 267 HB2 SER1145 HB2 SER1145 -10.285 6.563 -2.050 268 HB3 SER1145 HB1 SER1145 -9.805 5.118 -1.165 269 HG SER1145 HG SER1145 -10.113 6.126 0.692 270 H THR1146 HN THR1146 -7.355 7.081 -3.757 271 HA THR1146 HA THR1146 -6.972 9.897 -3.293 272 HB THR1146 HB THR1146 -6.403 9.755 -5.853 273 HG1 THR1146 HG1 THR1146 -7.237 7.656 -6.174 274 HG21 THR1146 HG21 THR1146 -4.131 9.019 -5.288 275 HG22 THR1146 HG22 THR1146 -4.716 8.404 -3.742 276 HG23 THR1146 HG23 THR1146 -4.764 10.134 -4.078 277 H GLU1147 HN GLU1147 -9.387 9.943 -2.794 278 HA GLU1147 HA GLU1147 -11.200 10.022 -4.986 279 HB2 GLU1147 HB2 GLU1147 -12.005 9.438 -2.798 280 HB3 GLU1147 HB1 GLU1147 -11.348 10.911 -2.105 281 HG2 GLU1147 HG2 GLU1147 -13.719 11.115 -2.325 282 HG3 GLU1147 HG1 GLU1147 -12.905 12.209 -3.441 283 H THR1148 HN THR1148 -9.346 12.344 -3.102 284 HA THR1148 HA THR1148 -10.422 14.571 -4.654 285 HB THR1148 HB THR1148 -8.276 14.752 -2.536 286 HG1 THR1148 HG1 THR1148 -10.057 13.680 -1.604 287 HG21 THR1148 HG21 THR1148 -9.215 17.007 -2.225 288 HG22 THR1148 HG22 THR1148 -10.386 16.692 -3.507 289 HG23 THR1148 HG23 THR1148 -8.663 16.758 -3.882 Start of MODEL 15 1 H1 THR1103 HT1 THR1103 18.278 -10.633 0.532 2 H2 THR1103 HT2 THR1103 18.172 -9.643 -0.831 3 H3 THR1103 HT3 THR1103 17.006 -9.533 0.384 4 HA THR1103 HA THR1103 19.860 -8.836 0.649 5 HB THR1103 HB THR1103 18.799 -6.525 1.079 6 HG1 THR1103 HG1 THR1103 16.718 -6.370 0.750 7 HG21 THR1103 HG21 THR1103 20.168 -7.028 -0.880 8 HG22 THR1103 HG22 THR1103 18.812 -5.990 -1.319 9 HG23 THR1103 HG23 THR1103 18.764 -7.711 -1.700 10 H HIS1104 HN HIS1104 20.509 -9.358 2.618 11 HA HIS1104 HA HIS1104 18.679 -9.680 4.810 12 HB2 HIS1104 HB2 HIS1104 20.668 -11.125 4.535 13 HB3 HIS1104 HB1 HIS1104 21.706 -9.727 4.792 14 HD1 HIS1104 HD1 HIS1104 22.574 -9.593 7.096 15 HD2 HIS1104 HD2 HIS1104 18.853 -11.441 6.962 16 HE1 HIS1104 HE1 HIS1104 22.066 -10.264 9.462 17 HE2 HIS1104 HE2 HIS1104 19.908 -11.553 9.319 18 H ALA1105 HN ALA1105 20.937 -7.254 3.711 19 HA ALA1105 HA ALA1105 20.714 -5.689 6.135 20 HB1 ALA1105 HB1 ALA1105 22.823 -5.738 4.893 21 HB2 ALA1105 HB2 ALA1105 22.170 -4.102 4.988 22 HB3 ALA1105 HB3 ALA1105 22.016 -5.028 3.496 23 HA PRO1106 HA PRO1106 16.891 -3.718 4.929 24 HB2 PRO1106 HB2 PRO1106 17.952 -1.589 6.713 25 HB3 PRO1106 HB1 PRO1106 16.383 -2.399 6.738 26 HG2 PRO1106 HG2 PRO1106 18.259 -2.986 8.542 27 HG3 PRO1106 HG1 PRO1106 17.205 -4.243 7.872 28 HD2 PRO1106 HD2 PRO1106 20.060 -3.643 7.266 29 HD3 PRO1106 HD1 PRO1106 19.220 -5.204 7.331 30 H ALA1107 HN ALA1107 16.442 -2.438 3.255 31 HA ALA1107 HA ALA1107 18.325 -0.290 2.567 32 HB1 ALA1107 HB1 ALA1107 18.116 -0.849 0.202 33 HB2 ALA1107 HB2 ALA1107 17.086 -2.220 0.607 34 HB3 ALA1107 HB3 ALA1107 18.774 -2.207 1.112 35 H SER1108 HN SER1108 17.387 1.596 2.124 36 HA SER1108 HA SER1108 14.562 1.904 2.376 37 HB2 SER1108 HB2 SER1108 15.166 4.318 1.732 38 HB3 SER1108 HB1 SER1108 15.866 3.684 3.221 39 HG SER1108 HG SER1108 17.687 4.266 2.347 40 H CYS1109 HN CYS1109 13.058 1.962 0.826 41 HA CYS1109 HA CYS1109 13.696 1.120 -1.795 42 HB2 CYS1109 HB2 CYS1109 11.096 2.307 -0.804 43 HB3 CYS1109 HB1 CYS1109 11.317 1.330 -2.249 44 H LEU1110 HN LEU1110 12.618 2.339 -3.703 45 HA LEU1110 HA LEU1110 14.042 4.696 -4.222 46 HB2 LEU1110 HB2 LEU1110 12.707 2.916 -5.704 47 HB3 LEU1110 HB1 LEU1110 11.483 4.152 -5.623 48 HG LEU1110 HG LEU1110 13.025 5.756 -6.656 49 HD11 LEU1110 HD11 LEU1110 14.880 3.388 -6.857 50 HD12 LEU1110 HD12 LEU1110 15.141 4.835 -5.886 51 HD13 LEU1110 HD13 LEU1110 15.119 4.947 -7.644 52 HD21 LEU1110 HD21 LEU1110 13.023 4.704 -8.886 53 HD22 LEU1110 HD22 LEU1110 11.492 4.492 -8.037 54 HD23 LEU1110 HD23 LEU1110 12.637 3.155 -8.132 55 H ASP1111 HN ASP1111 13.165 6.873 -4.618 56 HA ASP1111 HA ASP1111 11.481 7.862 -2.598 57 HB2 ASP1111 HB2 ASP1111 12.338 8.999 -5.251 58 HB3 ASP1111 HB1 ASP1111 11.234 9.871 -4.197 59 H THR1112 HN THR1112 10.843 6.813 -5.887 60 HA THR1112 HA THR1112 8.005 7.383 -5.590 61 HB THR1112 HB THR1112 7.940 6.500 -7.993 62 HG1 THR1112 HG1 THR1112 10.680 7.088 -8.107 63 HG21 THR1112 HG21 THR1112 9.577 8.951 -7.335 64 HG22 THR1112 HG22 THR1112 7.820 8.874 -7.466 65 HG23 THR1112 HG23 THR1112 8.823 8.618 -8.893 66 H GLN1113 HN GLN1113 9.855 4.981 -4.500 67 HA GLN1113 HA GLN1113 7.908 2.906 -5.168 68 HB2 GLN1113 HB2 GLN1113 10.684 2.808 -4.045 69 HB3 GLN1113 HB1 GLN1113 9.584 1.452 -3.859 70 HG2 GLN1113 HG2 GLN1113 9.296 1.411 -6.310 71 HG3 GLN1113 HG1 GLN1113 10.527 2.659 -6.441 72 HE21 GLN1113 HE21 GLN1113 10.538 -0.019 -7.520 73 HE22 GLN1113 HE22 GLN1113 11.932 -0.803 -6.863 74 H TYR1114 HN TYR1114 7.093 1.569 -3.543 75 HA TYR1114 HA TYR1114 6.700 2.946 -0.968 76 HB2 TYR1114 HB2 TYR1114 4.654 2.705 -2.282 77 HB3 TYR1114 HB1 TYR1114 4.946 0.984 -2.445 78 HD1 TYR1114 HD1 TYR1114 4.305 3.608 0.101 79 HD2 TYR1114 HD2 TYR1114 4.029 -0.510 -0.915 80 HE1 TYR1114 HE1 TYR1114 2.990 3.205 2.135 81 HE2 TYR1114 HE2 TYR1114 2.707 -0.926 1.117 82 HH TYR1114 HH TYR1114 2.283 0.054 3.282 83 H THR1115 HN THR1115 6.587 1.616 0.910 84 HA THR1115 HA THR1115 8.263 -0.788 0.693 85 HB THR1115 HB THR1115 7.739 0.759 3.229 86 HG1 THR1115 HG1 THR1115 8.705 2.292 2.004 87 HG21 THR1115 HG21 THR1115 8.710 -1.484 3.462 88 HG22 THR1115 HG22 THR1115 9.868 -0.238 3.925 89 HG23 THR1115 HG23 THR1115 10.013 -1.036 2.359 90 H CYS1116 HN CYS1116 6.870 -2.463 0.484 91 HA CYS1116 HA CYS1116 4.303 -2.581 1.672 92 HB2 CYS1116 HB2 CYS1116 5.988 -4.878 0.673 93 HB3 CYS1116 HB1 CYS1116 4.247 -4.882 0.902 94 H ASP1117 HN ASP1117 3.699 -4.583 3.046 95 HA ASP1117 HA ASP1117 4.606 -4.182 5.618 96 HB2 ASP1117 HB2 ASP1117 2.494 -5.261 5.162 97 HB3 ASP1117 HB1 ASP1117 3.308 -6.630 4.415 98 H ASN1118 HN ASN1118 5.637 -6.711 3.345 99 HA ASN1118 HA ASN1118 7.617 -7.643 5.272 100 HB2 ASN1118 HB2 ASN1118 6.693 -8.712 2.610 101 HB3 ASN1118 HB1 ASN1118 8.085 -9.376 3.460 102 HD21 ASN1118 HD21 ASN1118 4.634 -9.026 3.440 103 HD22 ASN1118 HD22 ASN1118 4.309 -10.196 4.671 104 H HIS1119 HN HIS1119 7.899 -5.025 4.068 105 HA HIS1119 HA HIS1119 9.602 -3.680 3.418 106 HB2 HIS1119 HB2 HIS1119 11.293 -6.172 3.713 107 HB3 HIS1119 HB1 HIS1119 11.917 -4.538 3.527 108 HD1 HIS1119 HD1 HIS1119 11.746 -6.834 6.052 109 HD2 HIS1119 HD2 HIS1119 10.344 -2.928 5.789 110 HE1 HIS1119 HE1 HIS1119 11.530 -6.033 8.421 111 HE2 HIS1119 HE2 HIS1119 10.529 -3.733 8.241 112 H GLN1120 HN GLN1120 8.051 -5.194 1.399 113 HA GLN1120 HA GLN1120 9.956 -5.568 -0.766 114 HB2 GLN1120 HB2 GLN1120 8.076 -7.112 -0.615 115 HB3 GLN1120 HB1 GLN1120 6.939 -5.779 -0.691 116 HG2 GLN1120 HG2 GLN1120 7.025 -6.904 -2.811 117 HG3 GLN1120 HG1 GLN1120 7.691 -5.283 -2.974 118 HE21 GLN1120 HE21 GLN1120 9.837 -5.033 -3.502 119 HE22 GLN1120 HE22 GLN1120 10.856 -6.349 -3.963 120 H CYS1121 HN CYS1121 10.551 -3.993 -2.097 121 HA CYS1121 HA CYS1121 9.201 -1.428 -1.965 122 HB2 CYS1121 HB2 CYS1121 11.637 -2.244 -3.565 123 HB3 CYS1121 HB1 CYS1121 11.076 -0.599 -3.287 124 H ILE1122 HN ILE1122 7.308 -1.497 -3.082 125 HA ILE1122 HA ILE1122 7.402 -2.331 -5.903 126 HB ILE1122 HB ILE1122 4.964 -2.184 -5.903 127 HG12 ILE1122 HG12 ILE1122 5.123 -1.659 -2.941 128 HG13 ILE1122 HG11 ILE1122 4.890 -0.380 -4.125 129 HG21 ILE1122 HG21 ILE1122 5.968 -4.310 -5.346 130 HG22 ILE1122 HG22 ILE1122 4.494 -4.081 -4.405 131 HG23 ILE1122 HG23 ILE1122 6.068 -3.848 -3.647 132 HD11 ILE1122 HD11 ILE1122 2.814 -1.400 -4.838 133 HD12 ILE1122 HD12 ILE1122 2.789 -1.096 -3.098 134 HD13 ILE1122 HD13 ILE1122 3.060 -2.730 -3.710 135 H SER1123 HN SER1123 6.002 -0.868 -7.352 136 HA SER1123 HA SER1123 6.953 1.823 -7.150 137 HB2 SER1123 HB2 SER1123 6.664 0.878 -9.356 138 HB3 SER1123 HB1 SER1123 4.971 0.509 -9.026 139 HG SER1123 HG SER1123 4.580 2.414 -9.811 140 H LYS1124 HN LYS1124 5.821 3.672 -6.606 141 HA LYS1124 HA LYS1124 3.637 3.392 -4.833 142 HB2 LYS1124 HB2 LYS1124 4.959 5.754 -6.124 143 HB3 LYS1124 HB1 LYS1124 3.483 5.961 -5.193 144 HG2 LYS1124 HG2 LYS1124 4.587 4.940 -3.250 145 HG3 LYS1124 HG1 LYS1124 6.074 4.803 -4.184 146 HD2 LYS1124 HD2 LYS1124 6.164 7.221 -4.432 147 HD3 LYS1124 HD1 LYS1124 4.637 7.383 -3.562 148 HE2 LYS1124 HE2 LYS1124 7.168 6.205 -2.418 149 HE3 LYS1124 HE1 LYS1124 6.614 7.858 -2.155 150 HZ1 LYS1124 HZ1 LYS1124 5.111 5.419 -1.378 151 HZ2 LYS1124 HZ2 LYS1124 4.652 7.013 -1.071 152 HZ3 LYS1124 HZ3 LYS1124 6.025 6.375 -0.326 153 H ASN1125 HN ASN1125 3.808 3.539 -8.248 154 HA ASN1125 HA ASN1125 1.138 4.467 -8.709 155 HB2 ASN1125 HB2 ASN1125 3.034 2.886 -10.452 156 HB3 ASN1125 HB1 ASN1125 1.441 3.406 -10.982 157 HD21 ASN1125 HD21 ASN1125 1.056 5.601 -11.328 158 HD22 ASN1125 HD22 ASN1125 2.353 6.727 -11.531 159 H TRP1126 HN TRP1126 2.430 1.621 -7.472 160 HA TRP1126 HA TRP1126 0.206 -0.045 -8.389 161 HB2 TRP1126 HB2 TRP1126 2.728 -0.731 -6.868 162 HB3 TRP1126 HB1 TRP1126 1.478 -1.888 -7.288 163 HD1 TRP1126 HD1 TRP1126 1.607 0.179 -10.218 164 HE1 TRP1126 HE1 TRP1126 3.180 -0.773 -12.015 165 HE3 TRP1126 HE3 TRP1126 4.168 -3.188 -7.351 166 HZ2 TRP1126 HZ2 TRP1126 5.239 -2.696 -12.193 167 HZ3 TRP1126 HZ3 TRP1126 5.922 -4.545 -8.409 168 HH2 TRP1126 HH2 TRP1126 6.447 -4.305 -10.783 169 H VAL1127 HN VAL1127 1.022 1.914 -5.806 170 HA VAL1127 HA VAL1127 -0.075 0.365 -3.675 171 HB VAL1127 HB VAL1127 0.451 3.338 -3.804 172 HG11 VAL1127 HG11 VAL1127 -1.128 2.773 -2.028 173 HG12 VAL1127 HG12 VAL1127 0.432 3.242 -1.352 174 HG13 VAL1127 HG13 VAL1127 -0.021 1.540 -1.423 175 HG21 VAL1127 HG21 VAL1127 2.132 1.130 -2.637 176 HG22 VAL1127 HG22 VAL1127 2.528 2.848 -2.683 177 HG23 VAL1127 HG23 VAL1127 2.434 1.923 -4.182 178 H CYS1128 HN CYS1128 -2.095 -0.055 -3.341 179 HA CYS1128 HA CYS1128 -4.355 0.018 -3.348 180 HB2 CYS1128 HB2 CYS1128 -4.012 1.994 -1.922 181 HB3 CYS1128 HB1 CYS1128 -3.929 3.015 -3.347 182 H ASP1129 HN ASP1129 -3.461 -0.663 -5.653 183 HA ASP1129 HA ASP1129 -4.984 0.919 -7.623 184 HB2 ASP1129 HB2 ASP1129 -3.525 0.181 -9.332 185 HB3 ASP1129 HB1 ASP1129 -2.470 0.604 -7.991 186 H THR1130 HN THR1130 -5.556 -1.324 -5.623 187 HA THR1130 HA THR1130 -6.860 -3.124 -5.385 188 HB THR1130 HB THR1130 -8.770 -3.435 -6.904 189 HG1 THR1130 HG1 THR1130 -7.225 -2.245 -8.689 190 HG21 THR1130 HG21 THR1130 -8.884 -1.771 -5.117 191 HG22 THR1130 HG22 THR1130 -9.819 -1.263 -6.523 192 HG23 THR1130 HG23 THR1130 -8.237 -0.549 -6.211 193 H ASP1131 HN ASP1131 -4.311 -3.434 -6.720 194 HA ASP1131 HA ASP1131 -4.833 -6.080 -7.879 195 HB2 ASP1131 HB2 ASP1131 -4.280 -4.304 -9.645 196 HB3 ASP1131 HB1 ASP1131 -2.663 -4.274 -8.947 197 H ASN1132 HN ASN1132 -3.309 -7.644 -7.361 198 HA ASN1132 HA ASN1132 -1.981 -7.135 -4.863 199 HB2 ASN1132 HB2 ASN1132 -3.208 -9.218 -5.206 200 HB3 ASN1132 HB1 ASN1132 -2.147 -9.643 -6.546 201 HD21 ASN1132 HD21 ASN1132 -2.464 -9.389 -3.111 202 HD22 ASN1132 HD22 ASN1132 -1.024 -10.265 -2.714 203 H ASP1133 HN ASP1133 -0.015 -6.348 -4.714 204 HA ASP1133 HA ASP1133 2.054 -7.304 -6.562 205 HB2 ASP1133 HB2 ASP1133 2.947 -4.776 -6.031 206 HB3 ASP1133 HB1 ASP1133 2.066 -5.239 -7.485 207 H CYS1134 HN CYS1134 1.329 -5.821 -3.413 208 HA CYS1134 HA CYS1134 3.950 -6.316 -2.366 209 HB2 CYS1134 HB2 CYS1134 1.339 -5.588 -1.047 210 HB3 CYS1134 HB1 CYS1134 2.828 -5.828 -0.143 211 H GLY1135 HN GLY1135 2.768 -8.721 -3.468 212 HA2 GLY1135 HA2 GLY1135 2.781 -10.959 -2.911 213 HA3 GLY1135 HA1 GLY1135 3.282 -10.502 -1.291 214 H ASP1136 HN ASP1136 1.524 -9.558 0.096 215 HA ASP1136 HA ASP1136 -0.901 -11.149 -0.205 216 HB2 ASP1136 HB2 ASP1136 0.168 -11.238 1.970 217 HB3 ASP1136 HB1 ASP1136 0.114 -9.489 2.094 218 H GLY1137 HN GLY1137 0.007 -7.767 0.432 219 HA2 GLY1137 HA2 GLY1137 -1.128 -6.281 -1.326 220 HA3 GLY1137 HA1 GLY1137 -2.607 -6.957 -0.666 221 H SER1138 HN SER1138 0.303 -5.938 1.084 222 HA SER1138 HA SER1138 -1.191 -4.562 3.041 223 HB2 SER1138 HB2 SER1138 1.013 -3.788 3.853 224 HB3 SER1138 HB1 SER1138 1.008 -5.517 3.514 225 HG SER1138 HG SER1138 2.215 -3.415 2.082 226 H ASP1139 HN ASP1139 0.137 -3.604 -0.007 227 HA ASP1139 HA ASP1139 0.165 -0.792 0.384 228 HB2 ASP1139 HB2 ASP1139 0.460 -0.631 -1.966 229 HB3 ASP1139 HB1 ASP1139 1.309 -2.093 -1.473 230 H GLU1140 HN GLU1140 -2.271 -3.131 -0.457 231 HA GLU1140 HA GLU1140 -4.226 -1.141 -1.218 232 HB2 GLU1140 HB2 GLU1140 -4.609 -4.096 -0.697 233 HB3 GLU1140 HB1 GLU1140 -5.729 -3.028 -1.526 234 HG2 GLU1140 HG2 GLU1140 -2.965 -3.677 -2.516 235 HG3 GLU1140 HG1 GLU1140 -4.422 -4.532 -3.015 236 H LYS1141 HN LYS1141 -3.420 -3.125 1.573 237 HA LYS1141 HA LYS1141 -5.899 -2.871 2.899 238 HB2 LYS1141 HB2 LYS1141 -4.935 -3.989 4.706 239 HB3 LYS1141 HB1 LYS1141 -4.035 -4.587 3.324 240 HG2 LYS1141 HG2 LYS1141 -2.197 -3.061 3.869 241 HG3 LYS1141 HG1 LYS1141 -3.109 -2.468 5.254 242 HD2 LYS1141 HD2 LYS1141 -3.117 -4.717 6.214 243 HD3 LYS1141 HD1 LYS1141 -2.194 -5.306 4.832 244 HE2 LYS1141 HE2 LYS1141 -0.694 -4.933 6.660 245 HE3 LYS1141 HE1 LYS1141 -0.385 -3.722 5.423 246 HZ1 LYS1141 HZ1 LYS1141 -0.389 -2.748 7.623 247 HZ2 LYS1141 HZ2 LYS1141 -1.964 -3.301 7.905 248 HZ3 LYS1141 HZ3 LYS1141 -1.675 -2.135 6.716 249 H ASN1142 HN ASN1142 -3.030 -0.842 2.900 250 HA ASN1142 HA ASN1142 -3.901 0.692 5.181 251 HB2 ASN1142 HB2 ASN1142 -1.976 2.070 4.839 252 HB3 ASN1142 HB1 ASN1142 -1.478 0.411 4.543 253 HD21 ASN1142 HD21 ASN1142 -0.825 -0.192 2.512 254 HD22 ASN1142 HD22 ASN1142 -0.598 0.941 1.224 255 H CYS1143 HN CYS1143 -4.922 0.515 2.056 256 HA CYS1143 HA CYS1143 -5.450 3.341 1.673 257 HB2 CYS1143 HB2 CYS1143 -4.849 1.695 -0.179 258 HB3 CYS1143 HB1 CYS1143 -6.471 1.042 0.004 259 H ASN1144 HN ASN1144 -6.777 0.905 3.426 260 HA ASN1144 HA ASN1144 -8.806 0.449 4.350 261 HB2 ASN1144 HB2 ASN1144 -9.783 2.466 5.508 262 HB3 ASN1144 HB1 ASN1144 -8.092 2.135 5.836 263 HD21 ASN1144 HD21 ASN1144 -6.519 3.533 5.043 264 HD22 ASN1144 HD22 ASN1144 -6.907 5.123 4.484 265 H SER1145 HN SER1145 -9.538 -0.128 2.135 266 HA SER1145 HA SER1145 -11.137 -0.347 0.593 267 HB2 SER1145 HB2 SER1145 -13.440 0.270 1.149 268 HB3 SER1145 HB1 SER1145 -12.641 -0.526 2.497 269 HG SER1145 HG SER1145 -12.194 2.011 2.868 270 H THR1146 HN THR1146 -11.688 0.504 -1.293 271 HA THR1146 HA THR1146 -10.565 3.027 -1.945 272 HB THR1146 HB THR1146 -11.579 2.598 -4.210 273 HG1 THR1146 HG1 THR1146 -13.338 1.282 -3.299 274 HG21 THR1146 HG21 THR1146 -9.317 1.852 -3.668 275 HG22 THR1146 HG22 THR1146 -10.124 0.690 -4.720 276 HG23 THR1146 HG23 THR1146 -9.962 0.356 -2.995 277 H GLU1147 HN GLU1147 -11.562 4.661 -0.868 278 HA GLU1147 HA GLU1147 -14.215 5.325 -0.698 279 HB2 GLU1147 HB2 GLU1147 -12.193 6.514 0.254 280 HB3 GLU1147 HB1 GLU1147 -11.963 7.227 -1.333 281 HG2 GLU1147 HG2 GLU1147 -14.236 8.197 -1.155 282 HG3 GLU1147 HG1 GLU1147 -14.288 7.582 0.498 283 H THR1148 HN THR1148 -11.929 5.837 -3.312 284 HA THR1148 HA THR1148 -14.173 6.336 -5.145 285 HB THR1148 HB THR1148 -12.525 7.686 -6.508 286 HG1 THR1148 HG1 THR1148 -10.987 8.235 -4.286 287 HG21 THR1148 HG21 THR1148 -13.167 8.717 -3.744 288 HG22 THR1148 HG22 THR1148 -14.230 8.786 -5.150 289 HG23 THR1148 HG23 THR1148 -12.728 9.711 -5.134 Start of MODEL 16 1 H1 THR1103 HT1 THR1103 23.816 7.098 13.307 2 H2 THR1103 HT2 THR1103 23.316 8.675 13.639 3 H3 THR1103 HT3 THR1103 23.728 8.236 12.061 4 HA THR1103 HA THR1103 21.449 7.188 13.625 5 HB THR1103 HB THR1103 21.443 9.010 11.210 6 HG1 THR1103 HG1 THR1103 21.008 10.640 12.620 7 HG21 THR1103 HG21 THR1103 19.492 7.529 11.332 8 HG22 THR1103 HG22 THR1103 19.043 9.203 11.659 9 HG23 THR1103 HG23 THR1103 19.195 8.056 12.989 10 H HIS1104 HN HIS1104 22.254 7.592 10.167 11 HA HIS1104 HA HIS1104 22.070 6.185 8.402 12 HB2 HIS1104 HB2 HIS1104 23.190 4.303 10.473 13 HB3 HIS1104 HB1 HIS1104 22.948 3.828 8.794 14 HD1 HIS1104 HD1 HIS1104 25.453 5.156 10.964 15 HD2 HIS1104 HD2 HIS1104 24.407 5.733 6.982 16 HE1 HIS1104 HE1 HIS1104 27.477 6.170 9.870 17 HE2 HIS1104 HE2 HIS1104 26.853 6.440 7.446 18 H ALA1105 HN ALA1105 19.659 6.652 9.173 19 HA ALA1105 HA ALA1105 18.202 4.283 9.922 20 HB1 ALA1105 HB1 ALA1105 17.190 6.942 8.915 21 HB2 ALA1105 HB2 ALA1105 17.433 6.510 10.607 22 HB3 ALA1105 HB3 ALA1105 16.215 5.668 9.649 23 HA PRO1106 HA PRO1106 17.844 2.609 5.845 24 HB2 PRO1106 HB2 PRO1106 15.592 1.104 6.227 25 HB3 PRO1106 HB1 PRO1106 17.196 0.624 6.789 26 HG2 PRO1106 HG2 PRO1106 14.959 1.897 8.310 27 HG3 PRO1106 HG1 PRO1106 16.050 0.591 8.805 28 HD2 PRO1106 HD2 PRO1106 16.390 3.135 9.632 29 HD3 PRO1106 HD1 PRO1106 17.762 2.049 9.333 30 H ALA1107 HN ALA1107 17.115 3.624 4.102 31 HA ALA1107 HA ALA1107 14.875 5.405 4.194 32 HB1 ALA1107 HB1 ALA1107 15.354 5.800 1.837 33 HB2 ALA1107 HB2 ALA1107 16.465 4.433 1.821 34 HB3 ALA1107 HB3 ALA1107 16.836 5.858 2.790 35 H SER1108 HN SER1108 12.863 5.154 3.277 36 HA SER1108 HA SER1108 11.946 2.433 3.128 37 HB2 SER1108 HB2 SER1108 9.701 3.619 2.741 38 HB3 SER1108 HB1 SER1108 10.494 3.869 4.296 39 HG SER1108 HG SER1108 10.327 5.625 2.084 40 H CYS1109 HN CYS1109 13.225 1.901 1.233 41 HA CYS1109 HA CYS1109 13.426 1.343 -0.950 42 HB2 CYS1109 HB2 CYS1109 10.525 2.152 -1.004 43 HB3 CYS1109 HB1 CYS1109 11.343 1.259 -2.282 44 H LEU1110 HN LEU1110 12.417 2.352 -3.267 45 HA LEU1110 HA LEU1110 13.956 4.617 -3.803 46 HB2 LEU1110 HB2 LEU1110 12.569 2.755 -5.217 47 HB3 LEU1110 HB1 LEU1110 11.561 4.158 -5.458 48 HG LEU1110 HG LEU1110 13.577 5.371 -6.327 49 HD11 LEU1110 HD11 LEU1110 15.299 4.021 -5.280 50 HD12 LEU1110 HD12 LEU1110 15.492 4.017 -7.031 51 HD13 LEU1110 HD13 LEU1110 14.793 2.618 -6.216 52 HD21 LEU1110 HD21 LEU1110 12.727 2.853 -7.748 53 HD22 LEU1110 HD22 LEU1110 13.554 4.216 -8.503 54 HD23 LEU1110 HD23 LEU1110 11.935 4.425 -7.836 55 H ASP1111 HN ASP1111 13.150 6.760 -4.521 56 HA ASP1111 HA ASP1111 11.375 7.945 -2.659 57 HB2 ASP1111 HB2 ASP1111 12.486 8.962 -5.279 58 HB3 ASP1111 HB1 ASP1111 11.458 9.933 -4.234 59 H THR1112 HN THR1112 10.941 6.464 -5.750 60 HA THR1112 HA THR1112 8.115 7.244 -5.771 61 HB THR1112 HB THR1112 8.186 6.144 -8.088 62 HG1 THR1112 HG1 THR1112 10.048 5.232 -8.532 63 HG21 THR1112 HG21 THR1112 8.042 8.547 -7.788 64 HG22 THR1112 HG22 THR1112 9.137 8.172 -9.115 65 HG23 THR1112 HG23 THR1112 9.785 8.646 -7.546 66 H GLN1113 HN GLN1113 9.770 4.950 -4.300 67 HA GLN1113 HA GLN1113 7.839 2.866 -5.008 68 HB2 GLN1113 HB2 GLN1113 10.687 2.674 -4.093 69 HB3 GLN1113 HB1 GLN1113 9.579 1.333 -3.880 70 HG2 GLN1113 HG2 GLN1113 9.102 1.681 -6.395 71 HG3 GLN1113 HG1 GLN1113 10.644 2.521 -6.394 72 HE21 GLN1113 HE21 GLN1113 12.540 1.338 -5.973 73 HE22 GLN1113 HE22 GLN1113 12.582 -0.384 -6.068 74 H TYR1114 HN TYR1114 7.024 1.573 -3.454 75 HA TYR1114 HA TYR1114 6.753 2.844 -0.818 76 HB2 TYR1114 HB2 TYR1114 4.646 2.594 -2.009 77 HB3 TYR1114 HB1 TYR1114 4.997 0.905 -2.305 78 HD1 TYR1114 HD1 TYR1114 4.615 3.215 0.611 79 HD2 TYR1114 HD2 TYR1114 3.958 -0.663 -1.009 80 HE1 TYR1114 HE1 TYR1114 3.418 2.563 2.659 81 HE2 TYR1114 HE2 TYR1114 2.760 -1.323 1.031 82 HH TYR1114 HH TYR1114 1.613 0.816 3.271 83 H THR1115 HN THR1115 6.878 1.576 1.027 84 HA THR1115 HA THR1115 8.430 -0.892 0.703 85 HB THR1115 HB THR1115 8.034 0.624 3.286 86 HG1 THR1115 HG1 THR1115 9.664 1.159 1.101 87 HG21 THR1115 HG21 THR1115 10.049 -0.562 3.975 88 HG22 THR1115 HG22 THR1115 10.181 -1.304 2.382 89 HG23 THR1115 HG23 THR1115 8.830 -1.720 3.437 90 H CYS1116 HN CYS1116 7.052 -2.516 0.509 91 HA CYS1116 HA CYS1116 4.515 -2.629 1.754 92 HB2 CYS1116 HB2 CYS1116 6.168 -4.865 0.553 93 HB3 CYS1116 HB1 CYS1116 4.438 -4.920 0.895 94 H ASP1117 HN ASP1117 3.859 -4.423 3.266 95 HA ASP1117 HA ASP1117 5.204 -4.144 5.691 96 HB2 ASP1117 HB2 ASP1117 2.863 -4.783 5.583 97 HB3 ASP1117 HB1 ASP1117 3.282 -6.309 4.816 98 H ASN1118 HN ASN1118 5.462 -6.625 3.232 99 HA ASN1118 HA ASN1118 7.243 -8.281 4.776 100 HB2 ASN1118 HB2 ASN1118 7.370 -9.651 2.729 101 HB3 ASN1118 HB1 ASN1118 5.704 -9.314 3.186 102 HD21 ASN1118 HD21 ASN1118 6.786 -10.059 0.594 103 HD22 ASN1118 HD22 ASN1118 6.337 -8.789 -0.496 104 H HIS1119 HN HIS1119 7.860 -5.409 3.888 105 HA HIS1119 HA HIS1119 9.712 -4.182 3.442 106 HB2 HIS1119 HB2 HIS1119 11.190 -6.817 3.683 107 HB3 HIS1119 HB1 HIS1119 11.928 -5.220 3.697 108 HD1 HIS1119 HD1 HIS1119 10.286 -7.705 5.858 109 HD2 HIS1119 HD2 HIS1119 11.368 -3.697 6.073 110 HE1 HIS1119 HE1 HIS1119 10.136 -7.096 8.287 111 HE2 HIS1119 HE2 HIS1119 10.665 -4.637 8.381 112 H GLN1120 HN GLN1120 8.176 -5.517 1.313 113 HA GLN1120 HA GLN1120 10.164 -5.758 -0.811 114 HB2 GLN1120 HB2 GLN1120 8.517 -7.467 -0.902 115 HB3 GLN1120 HB1 GLN1120 7.207 -6.325 -0.650 116 HG2 GLN1120 HG2 GLN1120 7.421 -5.461 -2.843 117 HG3 GLN1120 HG1 GLN1120 8.936 -6.319 -3.099 118 HE21 GLN1120 HE21 GLN1120 8.121 -7.321 -4.943 119 HE22 GLN1120 HE22 GLN1120 6.972 -8.609 -4.854 120 H CYS1121 HN CYS1121 10.348 -4.280 -2.470 121 HA CYS1121 HA CYS1121 8.946 -1.748 -2.013 122 HB2 CYS1121 HB2 CYS1121 11.421 -2.316 -3.657 123 HB3 CYS1121 HB1 CYS1121 10.718 -0.728 -3.377 124 H ILE1122 HN ILE1122 7.274 -1.312 -3.241 125 HA ILE1122 HA ILE1122 7.293 -2.189 -6.059 126 HB ILE1122 HB ILE1122 4.861 -2.102 -6.048 127 HG12 ILE1122 HG12 ILE1122 5.040 -1.608 -3.079 128 HG13 ILE1122 HG11 ILE1122 4.726 -0.339 -4.254 129 HG21 ILE1122 HG21 ILE1122 5.890 -4.228 -5.538 130 HG22 ILE1122 HG22 ILE1122 4.416 -4.040 -4.588 131 HG23 ILE1122 HG23 ILE1122 5.991 -3.801 -3.830 132 HD11 ILE1122 HD11 ILE1122 3.009 -2.765 -3.799 133 HD12 ILE1122 HD12 ILE1122 2.688 -1.459 -4.938 134 HD13 ILE1122 HD13 ILE1122 2.678 -1.138 -3.201 135 H SER1123 HN SER1123 6.003 -0.634 -7.472 136 HA SER1123 HA SER1123 6.877 2.054 -7.002 137 HB2 SER1123 HB2 SER1123 6.716 1.231 -9.295 138 HB3 SER1123 HB1 SER1123 4.993 0.913 -9.088 139 HG SER1123 HG SER1123 4.615 2.929 -9.534 140 H LYS1124 HN LYS1124 5.696 3.807 -6.371 141 HA LYS1124 HA LYS1124 3.553 3.319 -4.598 142 HB2 LYS1124 HB2 LYS1124 4.433 5.944 -5.804 143 HB3 LYS1124 HB1 LYS1124 3.407 5.755 -4.392 144 HG2 LYS1124 HG2 LYS1124 5.339 4.534 -3.309 145 HG3 LYS1124 HG1 LYS1124 6.313 5.068 -4.671 146 HD2 LYS1124 HD2 LYS1124 5.991 7.356 -4.146 147 HD3 LYS1124 HD1 LYS1124 4.740 6.981 -2.962 148 HE2 LYS1124 HE2 LYS1124 7.600 6.077 -2.695 149 HE3 LYS1124 HE1 LYS1124 7.001 7.591 -2.021 150 HZ1 LYS1124 HZ1 LYS1124 5.940 4.898 -1.355 151 HZ2 LYS1124 HZ2 LYS1124 5.458 6.360 -0.663 152 HZ3 LYS1124 HZ3 LYS1124 7.020 5.776 -0.399 153 H ASN1125 HN ASN1125 3.689 3.931 -7.979 154 HA ASN1125 HA ASN1125 1.014 4.812 -8.360 155 HB2 ASN1125 HB2 ASN1125 2.769 5.095 -10.070 156 HB3 ASN1125 HB1 ASN1125 2.851 3.352 -10.271 157 HD21 ASN1125 HD21 ASN1125 1.343 2.325 -11.505 158 HD22 ASN1125 HD22 ASN1125 0.136 3.154 -12.420 159 H TRP1126 HN TRP1126 2.405 1.784 -7.604 160 HA TRP1126 HA TRP1126 0.206 0.205 -8.670 161 HB2 TRP1126 HB2 TRP1126 2.592 -0.615 -6.990 162 HB3 TRP1126 HB1 TRP1126 1.441 -1.710 -7.734 163 HD1 TRP1126 HD1 TRP1126 1.995 0.827 -10.267 164 HE1 TRP1126 HE1 TRP1126 3.800 0.106 -11.954 165 HE3 TRP1126 HE3 TRP1126 4.037 -3.068 -7.659 166 HZ2 TRP1126 HZ2 TRP1126 5.819 -1.851 -12.151 167 HZ3 TRP1126 HZ3 TRP1126 5.902 -4.314 -8.669 168 HH2 TRP1126 HH2 TRP1126 6.774 -3.716 -10.869 169 H VAL1127 HN VAL1127 0.928 1.922 -5.882 170 HA VAL1127 HA VAL1127 -0.269 0.288 -3.909 171 HB VAL1127 HB VAL1127 0.159 3.281 -3.941 172 HG11 VAL1127 HG11 VAL1127 -1.588 2.628 -2.343 173 HG12 VAL1127 HG12 VAL1127 -0.136 3.213 -1.533 174 HG13 VAL1127 HG13 VAL1127 -0.471 1.483 -1.601 175 HG21 VAL1127 HG21 VAL1127 2.123 2.820 -2.602 176 HG22 VAL1127 HG22 VAL1127 2.209 1.925 -4.119 177 HG23 VAL1127 HG23 VAL1127 1.769 1.094 -2.629 178 H CYS1128 HN CYS1128 -2.284 -0.164 -3.555 179 HA CYS1128 HA CYS1128 -4.540 -0.189 -3.618 180 HB2 CYS1128 HB2 CYS1128 -4.318 1.907 -2.342 181 HB3 CYS1128 HB1 CYS1128 -4.278 2.812 -3.848 182 H ASP1129 HN ASP1129 -3.587 -1.012 -5.839 183 HA ASP1129 HA ASP1129 -5.161 0.333 -7.949 184 HB2 ASP1129 HB2 ASP1129 -3.597 -0.346 -9.578 185 HB3 ASP1129 HB1 ASP1129 -2.601 0.180 -8.228 186 H THR1130 HN THR1130 -5.684 -1.761 -5.840 187 HA THR1130 HA THR1130 -6.865 -3.623 -5.496 188 HB THR1130 HB THR1130 -8.561 -4.324 -7.180 189 HG1 THR1130 HG1 THR1130 -7.027 -3.033 -8.875 190 HG21 THR1130 HG21 THR1130 -9.091 -2.660 -5.492 191 HG22 THR1130 HG22 THR1130 -9.901 -2.273 -7.011 192 HG23 THR1130 HG23 THR1130 -8.457 -1.382 -6.529 193 H ASP1131 HN ASP1131 -4.181 -3.783 -6.854 194 HA ASP1131 HA ASP1131 -4.428 -6.655 -7.433 195 HB2 ASP1131 HB2 ASP1131 -3.855 -5.401 -9.494 196 HB3 ASP1131 HB1 ASP1131 -2.419 -4.775 -8.690 197 H ASN1132 HN ASN1132 -3.006 -7.976 -6.402 198 HA ASN1132 HA ASN1132 -1.687 -6.794 -4.122 199 HB2 ASN1132 HB2 ASN1132 -3.061 -8.848 -3.895 200 HB3 ASN1132 HB1 ASN1132 -1.901 -9.707 -4.907 201 HD21 ASN1132 HD21 ASN1132 -1.484 -11.154 -3.217 202 HD22 ASN1132 HD22 ASN1132 -0.508 -10.709 -1.860 203 H ASP1133 HN ASP1133 0.011 -5.699 -5.050 204 HA ASP1133 HA ASP1133 2.075 -7.225 -6.446 205 HB2 ASP1133 HB2 ASP1133 3.054 -4.681 -6.312 206 HB3 ASP1133 HB1 ASP1133 2.029 -5.275 -7.617 207 H CYS1134 HN CYS1134 1.397 -5.635 -3.428 208 HA CYS1134 HA CYS1134 4.041 -5.778 -2.381 209 HB2 CYS1134 HB2 CYS1134 1.326 -5.323 -1.214 210 HB3 CYS1134 HB1 CYS1134 2.669 -5.686 -0.137 211 H GLY1135 HN GLY1135 1.727 -8.170 -2.997 212 HA2 GLY1135 HA2 GLY1135 1.812 -10.448 -2.565 213 HA3 GLY1135 HA1 GLY1135 3.274 -10.176 -1.624 214 H ASP1136 HN ASP1136 2.546 -8.511 0.308 215 HA ASP1136 HA ASP1136 0.786 -10.062 1.984 216 HB2 ASP1136 HB2 ASP1136 2.866 -9.026 2.843 217 HB3 ASP1136 HB1 ASP1136 2.186 -7.441 2.516 218 H GLY1137 HN GLY1137 0.405 -7.566 -0.231 219 HA2 GLY1137 HA2 GLY1137 -1.465 -6.365 -0.856 220 HA3 GLY1137 HA1 GLY1137 -2.352 -7.162 0.436 221 H SER1138 HN SER1138 0.568 -5.637 1.309 222 HA SER1138 HA SER1138 -0.762 -4.049 3.223 223 HB2 SER1138 HB2 SER1138 1.590 -3.200 3.663 224 HB3 SER1138 HB1 SER1138 1.365 -4.941 3.786 225 HG SER1138 HG SER1138 2.363 -3.571 1.505 226 H ASP1139 HN ASP1139 0.065 -3.431 -0.039 227 HA ASP1139 HA ASP1139 0.200 -0.560 0.260 228 HB2 ASP1139 HB2 ASP1139 0.457 -0.477 -2.106 229 HB3 ASP1139 HB1 ASP1139 1.377 -1.874 -1.559 230 H GLU1140 HN GLU1140 -2.175 -3.000 -0.390 231 HA GLU1140 HA GLU1140 -4.173 -1.103 -1.306 232 HB2 GLU1140 HB2 GLU1140 -4.488 -4.041 -0.639 233 HB3 GLU1140 HB1 GLU1140 -5.627 -3.044 -1.528 234 HG2 GLU1140 HG2 GLU1140 -2.838 -3.643 -2.483 235 HG3 GLU1140 HG1 GLU1140 -4.248 -4.608 -2.911 236 H LYS1141 HN LYS1141 -3.218 -2.761 1.599 237 HA LYS1141 HA LYS1141 -5.635 -2.710 3.016 238 HB2 LYS1141 HB2 LYS1141 -4.382 -3.249 4.960 239 HB3 LYS1141 HB1 LYS1141 -3.546 -4.014 3.619 240 HG2 LYS1141 HG2 LYS1141 -1.874 -2.267 3.615 241 HG3 LYS1141 HG1 LYS1141 -2.746 -1.396 4.874 242 HD2 LYS1141 HD2 LYS1141 -2.395 -3.301 6.395 243 HD3 LYS1141 HD1 LYS1141 -1.458 -4.110 5.137 244 HE2 LYS1141 HE2 LYS1141 0.088 -3.056 6.606 245 HE3 LYS1141 HE1 LYS1141 0.062 -2.117 5.119 246 HZ1 LYS1141 HZ1 LYS1141 0.026 -0.638 6.978 247 HZ2 LYS1141 HZ2 LYS1141 -1.288 -1.441 7.673 248 HZ3 LYS1141 HZ3 LYS1141 -1.492 -0.576 6.238 249 H ASN1142 HN ASN1142 -3.111 -0.264 2.695 250 HA ASN1142 HA ASN1142 -4.528 1.395 4.645 251 HB2 ASN1142 HB2 ASN1142 -2.463 2.800 4.658 252 HB3 ASN1142 HB1 ASN1142 -2.219 1.155 5.210 253 HD21 ASN1142 HD21 ASN1142 -2.425 2.256 1.848 254 HD22 ASN1142 HD22 ASN1142 -0.800 1.837 1.438 255 H CYS1143 HN CYS1143 -5.505 0.997 1.952 256 HA CYS1143 HA CYS1143 -5.099 3.573 0.679 257 HB2 CYS1143 HB2 CYS1143 -5.401 1.512 -0.684 258 HB3 CYS1143 HB1 CYS1143 -7.034 1.358 -0.044 259 H ASN1144 HN ASN1144 -5.844 4.508 2.839 260 HA ASN1144 HA ASN1144 -8.773 4.706 2.886 261 HB2 ASN1144 HB2 ASN1144 -8.579 5.416 5.231 262 HB3 ASN1144 HB1 ASN1144 -7.865 3.830 4.977 263 HD21 ASN1144 HD21 ASN1144 -7.448 5.941 7.031 264 HD22 ASN1144 HD22 ASN1144 -5.735 6.214 7.042 265 H SER1145 HN SER1145 -9.762 6.653 2.875 266 HA SER1145 HA SER1145 -8.372 9.129 3.109 267 HB2 SER1145 HB2 SER1145 -8.861 9.891 0.763 268 HB3 SER1145 HB1 SER1145 -7.602 8.662 0.878 269 HG SER1145 HG SER1145 -8.840 7.275 -0.141 270 H THR1146 HN THR1146 -11.176 7.747 1.451 271 HA THR1146 HA THR1146 -12.841 9.912 2.432 272 HB THR1146 HB THR1146 -14.561 8.923 0.936 273 HG1 THR1146 HG1 THR1146 -13.887 6.740 0.980 274 HG21 THR1146 HG21 THR1146 -11.827 9.428 -0.248 275 HG22 THR1146 HG22 THR1146 -13.086 10.626 0.064 276 HG23 THR1146 HG23 THR1146 -13.329 9.397 -1.179 277 H GLU1147 HN GLU1147 -11.998 8.426 4.524 278 HA GLU1147 HA GLU1147 -14.004 6.418 5.135 279 HB2 GLU1147 HB2 GLU1147 -12.695 6.043 7.187 280 HB3 GLU1147 HB1 GLU1147 -11.705 5.924 5.742 281 HG2 GLU1147 HG2 GLU1147 -10.855 8.179 6.137 282 HG3 GLU1147 HG1 GLU1147 -11.847 8.296 7.590 283 H THR1148 HN THR1148 -13.352 9.749 5.792 284 HA THR1148 HA THR1148 -15.299 9.764 7.973 285 HB THR1148 HB THR1148 -14.633 12.275 8.035 286 HG1 THR1148 HG1 THR1148 -12.123 11.679 7.176 287 HG21 THR1148 HG21 THR1148 -12.690 10.100 8.811 288 HG22 THR1148 HG22 THR1148 -14.048 10.683 9.774 289 HG23 THR1148 HG23 THR1148 -12.684 11.747 9.440 Start of MODEL 17 1 H1 THR1103 HT1 THR1103 28.773 -2.111 9.103 2 H2 THR1103 HT2 THR1103 27.910 -0.748 9.600 3 H3 THR1103 HT3 THR1103 27.875 -1.221 7.981 4 HA THR1103 HA THR1103 26.732 -3.239 8.545 5 HB THR1103 HB THR1103 25.766 -3.327 10.923 6 HG1 THR1103 HG1 THR1103 28.086 -1.822 11.583 7 HG21 THR1103 HG21 THR1103 27.404 -4.931 10.114 8 HG22 THR1103 HG22 THR1103 27.745 -4.500 11.788 9 HG23 THR1103 HG23 THR1103 28.711 -3.809 10.487 10 H HIS1104 HN HIS1104 25.742 -1.539 7.051 11 HA HIS1104 HA HIS1104 23.623 0.000 8.352 12 HB2 HIS1104 HB2 HIS1104 24.685 0.001 5.526 13 HB3 HIS1104 HB1 HIS1104 23.244 0.891 6.003 14 HD1 HIS1104 HD1 HIS1104 26.615 1.521 5.368 15 HD2 HIS1104 HD2 HIS1104 24.059 2.591 8.463 16 HE1 HIS1104 HE1 HIS1104 27.666 3.533 6.448 17 HE2 HIS1104 HE2 HIS1104 26.012 4.263 8.199 18 H ALA1105 HN ALA1105 21.544 -0.522 8.256 19 HA ALA1105 HA ALA1105 20.796 -2.979 6.858 20 HB1 ALA1105 HB1 ALA1105 18.794 -2.932 8.266 21 HB2 ALA1105 HB2 ALA1105 19.301 -1.385 8.943 22 HB3 ALA1105 HB3 ALA1105 20.259 -2.834 9.244 23 HA PRO1106 HA PRO1106 18.721 -0.794 3.611 24 HB2 PRO1106 HB2 PRO1106 16.648 -2.899 3.759 25 HB3 PRO1106 HB1 PRO1106 17.663 -2.415 2.398 26 HG2 PRO1106 HG2 PRO1106 18.094 -4.706 3.708 27 HG3 PRO1106 HG1 PRO1106 19.434 -3.732 3.080 28 HD2 PRO1106 HD2 PRO1106 18.428 -3.990 5.882 29 HD3 PRO1106 HD1 PRO1106 20.096 -3.850 5.288 30 H ALA1107 HN ALA1107 17.417 0.893 3.698 31 HA ALA1107 HA ALA1107 15.364 1.011 5.786 32 HB1 ALA1107 HB1 ALA1107 16.522 3.239 4.110 33 HB2 ALA1107 HB2 ALA1107 17.057 2.800 5.730 34 HB3 ALA1107 HB3 ALA1107 15.426 3.419 5.480 35 H SER1108 HN SER1108 13.799 3.037 4.656 36 HA SER1108 HA SER1108 11.891 1.654 3.217 37 HB2 SER1108 HB2 SER1108 11.097 4.017 2.597 38 HB3 SER1108 HB1 SER1108 11.225 3.632 4.313 39 HG SER1108 HG SER1108 13.334 4.848 2.863 40 H CYS1109 HN CYS1109 11.174 1.847 1.038 41 HA CYS1109 HA CYS1109 13.306 1.463 -0.812 42 HB2 CYS1109 HB2 CYS1109 10.338 1.649 -1.333 43 HB3 CYS1109 HB1 CYS1109 11.547 0.955 -2.410 44 H LEU1110 HN LEU1110 12.603 2.441 -3.162 45 HA LEU1110 HA LEU1110 13.704 4.937 -3.374 46 HB2 LEU1110 HB2 LEU1110 12.766 3.028 -5.046 47 HB3 LEU1110 HB1 LEU1110 11.563 4.266 -5.285 48 HG LEU1110 HG LEU1110 13.361 5.855 -5.920 49 HD11 LEU1110 HD11 LEU1110 15.110 3.402 -5.773 50 HD12 LEU1110 HD12 LEU1110 15.221 4.821 -4.730 51 HD13 LEU1110 HD13 LEU1110 15.578 4.962 -6.450 52 HD21 LEU1110 HD21 LEU1110 12.105 4.678 -7.617 53 HD22 LEU1110 HD22 LEU1110 13.170 3.282 -7.478 54 HD23 LEU1110 HD23 LEU1110 13.793 4.806 -8.114 55 H ASP1111 HN ASP1111 12.764 7.018 -3.987 56 HA ASP1111 HA ASP1111 10.658 7.798 -2.242 57 HB2 ASP1111 HB2 ASP1111 12.583 9.256 -3.039 58 HB3 ASP1111 HB1 ASP1111 11.702 9.430 -4.554 59 H THR1112 HN THR1112 10.774 6.734 -5.527 60 HA THR1112 HA THR1112 7.923 7.331 -5.855 61 HB THR1112 HB THR1112 8.324 6.377 -8.201 62 HG1 THR1112 HG1 THR1112 10.289 5.390 -8.039 63 HG21 THR1112 HG21 THR1112 8.051 8.764 -7.757 64 HG22 THR1112 HG22 THR1112 9.256 8.492 -9.014 65 HG23 THR1112 HG23 THR1112 9.767 8.898 -7.376 66 H GLN1113 HN GLN1113 9.713 5.005 -4.478 67 HA GLN1113 HA GLN1113 7.933 2.838 -5.316 68 HB2 GLN1113 HB2 GLN1113 10.624 2.868 -3.990 69 HB3 GLN1113 HB1 GLN1113 9.598 1.446 -3.934 70 HG2 GLN1113 HG2 GLN1113 9.518 1.537 -6.423 71 HG3 GLN1113 HG1 GLN1113 10.756 2.780 -6.357 72 HE21 GLN1113 HE21 GLN1113 10.892 0.151 -7.564 73 HE22 GLN1113 HE22 GLN1113 12.193 -0.677 -6.780 74 H TYR1114 HN TYR1114 7.214 1.388 -3.647 75 HA TYR1114 HA TYR1114 6.680 2.790 -1.101 76 HB2 TYR1114 HB2 TYR1114 4.672 2.456 -2.522 77 HB3 TYR1114 HB1 TYR1114 4.971 0.728 -2.488 78 HD1 TYR1114 HD1 TYR1114 4.445 3.573 -0.125 79 HD2 TYR1114 HD2 TYR1114 3.842 -0.559 -0.948 80 HE1 TYR1114 HE1 TYR1114 3.059 3.375 1.897 81 HE2 TYR1114 HE2 TYR1114 2.460 -0.767 1.072 82 HH TYR1114 HH TYR1114 1.999 0.296 3.106 83 H THR1115 HN THR1115 6.692 1.529 0.781 84 HA THR1115 HA THR1115 8.380 -0.864 0.542 85 HB THR1115 HB THR1115 7.980 0.810 3.025 86 HG1 THR1115 HG1 THR1115 8.966 1.940 1.153 87 HG21 THR1115 HG21 THR1115 8.824 -1.448 3.414 88 HG22 THR1115 HG22 THR1115 10.090 -0.259 3.716 89 HG23 THR1115 HG23 THR1115 10.096 -1.192 2.219 90 H CYS1116 HN CYS1116 7.086 -2.570 0.481 91 HA CYS1116 HA CYS1116 4.531 -2.673 1.730 92 HB2 CYS1116 HB2 CYS1116 6.163 -4.941 0.589 93 HB3 CYS1116 HB1 CYS1116 4.424 -4.928 0.854 94 H ASP1117 HN ASP1117 4.035 -4.838 3.022 95 HA ASP1117 HA ASP1117 5.019 -4.363 5.581 96 HB2 ASP1117 HB2 ASP1117 3.836 -6.384 6.271 97 HB3 ASP1117 HB1 ASP1117 2.857 -5.433 5.164 98 H ASN1118 HN ASN1118 5.938 -6.932 3.303 99 HA ASN1118 HA ASN1118 7.880 -7.964 5.198 100 HB2 ASN1118 HB2 ASN1118 6.399 -9.351 3.590 101 HB3 ASN1118 HB1 ASN1118 7.585 -8.900 2.378 102 HD21 ASN1118 HD21 ASN1118 7.007 -10.697 5.286 103 HD22 ASN1118 HD22 ASN1118 8.434 -11.672 5.207 104 H HIS1119 HN HIS1119 8.106 -5.270 3.994 105 HA HIS1119 HA HIS1119 9.691 -3.857 3.212 106 HB2 HIS1119 HB2 HIS1119 11.477 -6.202 3.861 107 HB3 HIS1119 HB1 HIS1119 12.095 -4.650 3.305 108 HD1 HIS1119 HD1 HIS1119 11.768 -6.381 6.306 109 HD2 HIS1119 HD2 HIS1119 10.766 -2.518 5.145 110 HE1 HIS1119 HE1 HIS1119 11.636 -5.047 8.432 111 HE2 HIS1119 HE2 HIS1119 11.248 -2.677 7.676 112 H GLN1120 HN GLN1120 8.196 -5.287 1.336 113 HA GLN1120 HA GLN1120 10.044 -5.834 -0.848 114 HB2 GLN1120 HB2 GLN1120 8.144 -7.333 -0.607 115 HB3 GLN1120 HB1 GLN1120 7.030 -5.982 -0.666 116 HG2 GLN1120 HG2 GLN1120 7.556 -5.563 -2.963 117 HG3 GLN1120 HG1 GLN1120 8.831 -6.780 -2.929 118 HE21 GLN1120 HE21 GLN1120 7.863 -7.926 -4.620 119 HE22 GLN1120 HE22 GLN1120 6.441 -8.876 -4.379 120 H CYS1121 HN CYS1121 10.330 -4.484 -2.585 121 HA CYS1121 HA CYS1121 9.236 -1.788 -2.246 122 HB2 CYS1121 HB2 CYS1121 11.621 -2.763 -3.829 123 HB3 CYS1121 HB1 CYS1121 11.087 -1.088 -3.751 124 H ILE1122 HN ILE1122 7.332 -1.700 -3.300 125 HA ILE1122 HA ILE1122 7.304 -2.470 -6.143 126 HB ILE1122 HB ILE1122 4.880 -2.246 -6.071 127 HG12 ILE1122 HG12 ILE1122 5.126 -1.742 -3.106 128 HG13 ILE1122 HG11 ILE1122 4.909 -0.452 -4.282 129 HG21 ILE1122 HG21 ILE1122 5.816 -4.413 -5.543 130 HG22 ILE1122 HG22 ILE1122 4.367 -4.133 -4.578 131 HG23 ILE1122 HG23 ILE1122 5.961 -3.963 -3.844 132 HD11 ILE1122 HD11 ILE1122 2.779 -1.358 -4.936 133 HD12 ILE1122 HD12 ILE1122 2.812 -1.133 -3.183 134 HD13 ILE1122 HD13 ILE1122 3.009 -2.745 -3.874 135 H SER1123 HN SER1123 5.934 -0.865 -7.491 136 HA SER1123 HA SER1123 7.002 1.777 -7.158 137 HB2 SER1123 HB2 SER1123 6.648 0.986 -9.410 138 HB3 SER1123 HB1 SER1123 4.951 0.638 -9.076 139 HG SER1123 HG SER1123 4.630 2.590 -9.788 140 H LYS1124 HN LYS1124 5.916 3.640 -6.520 141 HA LYS1124 HA LYS1124 3.775 3.363 -4.705 142 HB2 LYS1124 HB2 LYS1124 5.067 5.717 -6.038 143 HB3 LYS1124 HB1 LYS1124 3.583 5.941 -5.125 144 HG2 LYS1124 HG2 LYS1124 4.700 4.925 -3.159 145 HG3 LYS1124 HG1 LYS1124 6.196 4.868 -4.093 146 HD2 LYS1124 HD2 LYS1124 6.161 7.289 -4.333 147 HD3 LYS1124 HD1 LYS1124 4.626 7.370 -3.465 148 HE2 LYS1124 HE2 LYS1124 5.721 6.437 -1.475 149 HE3 LYS1124 HE1 LYS1124 7.251 6.389 -2.348 150 HZ1 LYS1124 HZ1 LYS1124 7.160 8.794 -2.567 151 HZ2 LYS1124 HZ2 LYS1124 7.105 8.339 -0.941 152 HZ3 LYS1124 HZ3 LYS1124 5.692 8.839 -1.724 153 H ASN1125 HN ASN1125 3.864 3.545 -8.118 154 HA ASN1125 HA ASN1125 1.179 4.520 -8.465 155 HB2 ASN1125 HB2 ASN1125 3.034 3.123 -10.404 156 HB3 ASN1125 HB1 ASN1125 1.480 3.828 -10.835 157 HD21 ASN1125 HD21 ASN1125 4.148 4.471 -11.797 158 HD22 ASN1125 HD22 ASN1125 4.380 6.153 -11.469 159 H TRP1126 HN TRP1126 2.540 1.583 -7.533 160 HA TRP1126 HA TRP1126 0.303 -0.016 -8.526 161 HB2 TRP1126 HB2 TRP1126 2.805 -0.786 -7.001 162 HB3 TRP1126 HB1 TRP1126 1.527 -1.910 -7.423 163 HD1 TRP1126 HD1 TRP1126 1.790 0.263 -10.319 164 HE1 TRP1126 HE1 TRP1126 3.285 -0.774 -12.142 165 HE3 TRP1126 HE3 TRP1126 4.037 -3.395 -7.542 166 HZ2 TRP1126 HZ2 TRP1126 5.166 -2.862 -12.366 167 HZ3 TRP1126 HZ3 TRP1126 5.671 -4.870 -8.638 168 HH2 TRP1126 HH2 TRP1126 6.222 -4.608 -11.003 169 H VAL1127 HN VAL1127 1.057 1.862 -5.880 170 HA VAL1127 HA VAL1127 -0.124 0.278 -3.816 171 HB VAL1127 HB VAL1127 0.397 3.255 -3.880 172 HG11 VAL1127 HG11 VAL1127 -0.096 1.415 -1.542 173 HG12 VAL1127 HG12 VAL1127 -1.205 2.644 -2.150 174 HG13 VAL1127 HG13 VAL1127 0.336 3.122 -1.435 175 HG21 VAL1127 HG21 VAL1127 2.419 1.925 -4.249 176 HG22 VAL1127 HG22 VAL1127 2.094 1.032 -2.763 177 HG23 VAL1127 HG23 VAL1127 2.454 2.757 -2.695 178 H CYS1128 HN CYS1128 -2.181 -0.008 -3.368 179 HA CYS1128 HA CYS1128 -4.440 0.195 -3.366 180 HB2 CYS1128 HB2 CYS1128 -4.108 2.137 -2.053 181 HB3 CYS1128 HB1 CYS1128 -3.575 3.073 -3.428 182 H ASP1129 HN ASP1129 -3.646 -0.749 -5.600 183 HA ASP1129 HA ASP1129 -5.138 0.713 -7.689 184 HB2 ASP1129 HB2 ASP1129 -3.570 0.111 -9.317 185 HB3 ASP1129 HB1 ASP1129 -2.555 0.467 -7.926 186 H THR1130 HN THR1130 -5.649 -1.499 -5.629 187 HA THR1130 HA THR1130 -6.846 -3.374 -5.378 188 HB THR1130 HB THR1130 -8.609 -3.937 -7.006 189 HG1 THR1130 HG1 THR1130 -7.066 -2.683 -8.746 190 HG21 THR1130 HG21 THR1130 -8.365 -1.007 -6.341 191 HG22 THR1130 HG22 THR1130 -9.066 -2.265 -5.322 192 HG23 THR1130 HG23 THR1130 -9.854 -1.813 -6.834 193 H ASP1131 HN ASP1131 -4.190 -3.552 -6.546 194 HA ASP1131 HA ASP1131 -4.457 -6.314 -7.527 195 HB2 ASP1131 HB2 ASP1131 -3.680 -4.810 -9.345 196 HB3 ASP1131 HB1 ASP1131 -2.309 -4.346 -8.347 197 H ASN1132 HN ASN1132 -3.190 -7.800 -6.502 198 HA ASN1132 HA ASN1132 -2.007 -6.895 -4.017 199 HB2 ASN1132 HB2 ASN1132 -3.523 -8.880 -4.126 200 HB3 ASN1132 HB1 ASN1132 -2.287 -9.720 -5.058 201 HD21 ASN1132 HD21 ASN1132 -0.434 -10.424 -4.052 202 HD22 ASN1132 HD22 ASN1132 -0.288 -10.497 -2.323 203 H ASP1133 HN ASP1133 -0.204 -5.794 -4.868 204 HA ASP1133 HA ASP1133 1.847 -7.409 -6.190 205 HB2 ASP1133 HB2 ASP1133 2.905 -4.889 -6.088 206 HB3 ASP1133 HB1 ASP1133 1.917 -5.504 -7.413 207 H CYS1134 HN CYS1134 1.205 -5.668 -3.218 208 HA CYS1134 HA CYS1134 3.877 -5.923 -2.213 209 HB2 CYS1134 HB2 CYS1134 1.272 -5.021 -1.064 210 HB3 CYS1134 HB1 CYS1134 2.599 -5.399 0.024 211 H GLY1135 HN GLY1135 2.024 -8.381 -2.917 212 HA2 GLY1135 HA2 GLY1135 2.215 -10.593 -2.262 213 HA3 GLY1135 HA1 GLY1135 3.247 -10.071 -0.939 214 H ASP1136 HN ASP1136 2.028 -8.852 0.831 215 HA ASP1136 HA ASP1136 -0.262 -10.435 1.619 216 HB2 ASP1136 HB2 ASP1136 1.357 -9.992 3.324 217 HB3 ASP1136 HB1 ASP1136 1.295 -8.265 3.006 218 H GLY1137 HN GLY1137 0.356 -7.405 0.176 219 HA2 GLY1137 HA2 GLY1137 -1.299 -6.095 -0.889 220 HA3 GLY1137 HA1 GLY1137 -2.510 -6.821 0.160 221 H SER1138 HN SER1138 0.489 -5.605 1.401 222 HA SER1138 HA SER1138 -0.820 -3.904 3.262 223 HB2 SER1138 HB2 SER1138 1.715 -3.206 3.583 224 HB3 SER1138 HB1 SER1138 1.125 -4.779 4.119 225 HG SER1138 HG SER1138 2.412 -5.695 2.735 226 H ASP1139 HN ASP1139 -0.235 -3.445 0.053 227 HA ASP1139 HA ASP1139 0.127 -0.546 0.248 228 HB2 ASP1139 HB2 ASP1139 0.521 -0.568 -2.086 229 HB3 ASP1139 HB1 ASP1139 1.349 -1.994 -1.465 230 H GLU1140 HN GLU1140 -2.247 -2.978 -0.155 231 HA GLU1140 HA GLU1140 -4.218 -1.130 -1.286 232 HB2 GLU1140 HB2 GLU1140 -4.428 -4.101 -0.708 233 HB3 GLU1140 HB1 GLU1140 -5.627 -3.131 -1.546 234 HG2 GLU1140 HG2 GLU1140 -2.822 -3.570 -2.537 235 HG3 GLU1140 HG1 GLU1140 -4.209 -4.542 -3.020 236 H LYS1141 HN LYS1141 -3.280 -2.665 1.658 237 HA LYS1141 HA LYS1141 -5.728 -2.694 3.043 238 HB2 LYS1141 HB2 LYS1141 -4.445 -3.016 5.025 239 HB3 LYS1141 HB1 LYS1141 -3.588 -3.840 3.734 240 HG2 LYS1141 HG2 LYS1141 -2.015 -1.986 3.573 241 HG3 LYS1141 HG1 LYS1141 -2.903 -1.118 4.825 242 HD2 LYS1141 HD2 LYS1141 -2.409 -2.877 6.430 243 HD3 LYS1141 HD1 LYS1141 -1.563 -3.796 5.185 244 HE2 LYS1141 HE2 LYS1141 0.164 -2.192 5.041 245 HE3 LYS1141 HE1 LYS1141 -0.756 -1.013 5.972 246 HZ1 LYS1141 HZ1 LYS1141 0.350 -3.567 7.008 247 HZ2 LYS1141 HZ2 LYS1141 -0.566 -2.466 7.904 248 HZ3 LYS1141 HZ3 LYS1141 0.956 -2.018 7.326 249 H ASN1142 HN ASN1142 -3.590 -0.167 2.211 250 HA ASN1142 HA ASN1142 -5.113 1.729 3.863 251 HB2 ASN1142 HB2 ASN1142 -3.098 3.197 3.726 252 HB3 ASN1142 HB1 ASN1142 -2.803 1.693 4.579 253 HD21 ASN1142 HD21 ASN1142 -0.906 3.468 3.318 254 HD22 ASN1142 HD22 ASN1142 -0.075 2.526 2.128 255 H CYS1143 HN CYS1143 -5.956 0.722 1.370 256 HA CYS1143 HA CYS1143 -5.389 2.695 -0.661 257 HB2 CYS1143 HB2 CYS1143 -5.783 0.315 -1.211 258 HB3 CYS1143 HB1 CYS1143 -7.426 0.456 -0.605 259 H ASN1144 HN ASN1144 -7.820 2.118 1.753 260 HA ASN1144 HA ASN1144 -9.519 4.228 0.638 261 HB2 ASN1144 HB2 ASN1144 -11.207 3.480 2.255 262 HB3 ASN1144 HB1 ASN1144 -10.646 2.139 1.264 263 HD21 ASN1144 HD21 ASN1144 -11.903 2.190 3.911 264 HD22 ASN1144 HD22 ASN1144 -10.826 1.341 4.962 265 H SER1145 HN SER1145 -7.005 3.898 2.743 266 HA SER1145 HA SER1145 -7.882 6.173 4.380 267 HB2 SER1145 HB2 SER1145 -5.920 5.288 5.881 268 HB3 SER1145 HB1 SER1145 -7.487 4.482 5.927 269 HG SER1145 HG SER1145 -6.190 2.817 5.584 270 H THR1146 HN THR1146 -6.325 7.806 4.841 271 HA THR1146 HA THR1146 -4.642 8.399 2.596 272 HB THR1146 HB THR1146 -4.081 10.462 3.986 273 HG1 THR1146 HG1 THR1146 -4.783 9.308 5.994 274 HG21 THR1146 HG21 THR1146 -6.273 11.493 3.592 275 HG22 THR1146 HG22 THR1146 -6.980 9.894 3.364 276 HG23 THR1146 HG23 THR1146 -5.775 10.494 2.226 277 H GLU1147 HN GLU1147 -2.726 7.494 2.394 278 HA GLU1147 HA GLU1147 -1.180 6.642 4.686 279 HB2 GLU1147 HB2 GLU1147 0.362 5.705 3.092 280 HB3 GLU1147 HB1 GLU1147 -1.267 5.314 2.567 281 HG2 GLU1147 HG2 GLU1147 0.359 7.591 1.459 282 HG3 GLU1147 HG1 GLU1147 0.293 5.982 0.745 283 H THR1148 HN THR1148 -1.408 9.299 2.545 284 HA THR1148 HA THR1148 1.208 10.362 2.962 285 HB THR1148 HB THR1148 0.111 12.438 1.923 286 HG1 THR1148 HG1 THR1148 -1.906 11.266 0.744 287 HG21 THR1148 HG21 THR1148 0.109 11.439 -0.305 288 HG22 THR1148 HG22 THR1148 0.031 9.830 0.408 289 HG23 THR1148 HG23 THR1148 1.461 10.834 0.651 Start of MODEL 18 1 H1 THR1103 HT1 THR1103 16.127 10.887 13.118 2 H2 THR1103 HT2 THR1103 17.729 10.649 13.603 3 H3 THR1103 HT3 THR1103 16.705 11.633 14.520 4 HA THR1103 HA THR1103 17.027 9.486 15.561 5 HB THR1103 HB THR1103 14.930 10.694 15.939 6 HG1 THR1103 HG1 THR1103 14.563 7.883 15.605 7 HG21 THR1103 HG21 THR1103 12.907 10.163 14.663 8 HG22 THR1103 HG22 THR1103 13.854 9.143 13.584 9 HG23 THR1103 HG23 THR1103 14.145 10.879 13.635 10 H HIS1104 HN HIS1104 18.153 8.882 13.131 11 HA HIS1104 HA HIS1104 18.605 7.186 11.714 12 HB2 HIS1104 HB2 HIS1104 18.362 5.696 13.649 13 HB3 HIS1104 HB1 HIS1104 16.624 5.612 13.378 14 HD1 HIS1104 HD1 HIS1104 15.797 4.129 11.420 15 HD2 HIS1104 HD2 HIS1104 19.923 4.144 11.916 16 HE1 HIS1104 HE1 HIS1104 16.657 2.255 9.983 17 HE2 HIS1104 HE2 HIS1104 19.166 2.419 10.143 18 H ALA1105 HN ALA1105 17.926 7.824 9.779 19 HA ALA1105 HA ALA1105 15.238 8.071 8.961 20 HB1 ALA1105 HB1 ALA1105 17.100 9.161 7.792 21 HB2 ALA1105 HB2 ALA1105 16.136 8.176 6.693 22 HB3 ALA1105 HB3 ALA1105 17.693 7.585 7.270 23 HA PRO1106 HA PRO1106 14.192 3.718 8.832 24 HB2 PRO1106 HB2 PRO1106 12.069 4.746 7.022 25 HB3 PRO1106 HB1 PRO1106 11.925 3.734 8.464 26 HG2 PRO1106 HG2 PRO1106 11.240 6.313 8.523 27 HG3 PRO1106 HG1 PRO1106 12.038 5.542 9.907 28 HD2 PRO1106 HD2 PRO1106 13.168 7.391 7.851 29 HD3 PRO1106 HD1 PRO1106 13.532 7.267 9.585 30 H ALA1107 HN ALA1107 14.819 2.147 7.468 31 HA ALA1107 HA ALA1107 16.024 2.885 4.970 32 HB1 ALA1107 HB1 ALA1107 17.036 1.198 6.432 33 HB2 ALA1107 HB2 ALA1107 16.692 0.552 4.828 34 HB3 ALA1107 HB3 ALA1107 15.639 0.151 6.183 35 H SER1108 HN SER1108 13.783 3.711 4.318 36 HA SER1108 HA SER1108 11.947 1.714 3.366 37 HB2 SER1108 HB2 SER1108 10.870 3.819 2.318 38 HB3 SER1108 HB1 SER1108 10.875 3.667 4.073 39 HG SER1108 HG SER1108 12.743 5.151 2.523 40 H CYS1109 HN CYS1109 11.139 2.063 1.025 41 HA CYS1109 HA CYS1109 13.347 1.340 -0.663 42 HB2 CYS1109 HB2 CYS1109 10.416 1.661 -1.309 43 HB3 CYS1109 HB1 CYS1109 11.618 0.851 -2.312 44 H LEU1110 HN LEU1110 12.651 2.218 -3.109 45 HA LEU1110 HA LEU1110 13.948 4.611 -3.472 46 HB2 LEU1110 HB2 LEU1110 12.928 2.699 -5.041 47 HB3 LEU1110 HB1 LEU1110 11.714 3.928 -5.293 48 HG LEU1110 HG LEU1110 13.496 5.485 -6.054 49 HD11 LEU1110 HD11 LEU1110 15.223 3.015 -5.936 50 HD12 LEU1110 HD12 LEU1110 15.391 4.437 -4.909 51 HD13 LEU1110 HD13 LEU1110 15.675 4.564 -6.642 52 HD21 LEU1110 HD21 LEU1110 13.787 4.378 -8.229 53 HD22 LEU1110 HD22 LEU1110 12.134 4.241 -7.629 54 HD23 LEU1110 HD23 LEU1110 13.228 2.863 -7.518 55 H ASP1111 HN ASP1111 13.175 6.716 -4.132 56 HA ASP1111 HA ASP1111 11.134 7.772 -2.480 57 HB2 ASP1111 HB2 ASP1111 12.531 8.958 -4.885 58 HB3 ASP1111 HB1 ASP1111 11.423 9.855 -3.854 59 H THR1112 HN THR1112 11.142 6.506 -5.716 60 HA THR1112 HA THR1112 8.356 7.304 -6.093 61 HB THR1112 HB THR1112 8.709 6.174 -8.366 62 HG1 THR1112 HG1 THR1112 10.581 5.247 -8.642 63 HG21 THR1112 HG21 THR1112 8.646 8.592 -8.110 64 HG22 THR1112 HG22 THR1112 9.889 8.137 -9.275 65 HG23 THR1112 HG23 THR1112 10.344 8.605 -7.636 66 H GLN1113 HN GLN1113 9.999 4.872 -4.638 67 HA GLN1113 HA GLN1113 8.100 2.786 -5.399 68 HB2 GLN1113 HB2 GLN1113 10.746 2.764 -3.998 69 HB3 GLN1113 HB1 GLN1113 9.642 1.417 -3.817 70 HG2 GLN1113 HG2 GLN1113 9.622 1.190 -6.282 71 HG3 GLN1113 HG1 GLN1113 10.860 2.432 -6.369 72 HE21 GLN1113 HE21 GLN1113 10.994 -0.355 -7.206 73 HE22 GLN1113 HE22 GLN1113 12.304 -1.059 -6.317 74 H TYR1114 HN TYR1114 7.192 1.490 -3.726 75 HA TYR1114 HA TYR1114 6.586 3.014 -1.281 76 HB2 TYR1114 HB2 TYR1114 4.618 2.482 -2.658 77 HB3 TYR1114 HB1 TYR1114 5.063 0.784 -2.620 78 HD1 TYR1114 HD1 TYR1114 4.178 3.580 -0.317 79 HD2 TYR1114 HD2 TYR1114 4.133 -0.613 -1.037 80 HE1 TYR1114 HE1 TYR1114 2.818 3.249 1.708 81 HE2 TYR1114 HE2 TYR1114 2.778 -0.955 0.983 82 HH TYR1114 HH TYR1114 2.339 0.211 3.114 83 H THR1115 HN THR1115 6.629 1.907 0.684 84 HA THR1115 HA THR1115 8.312 -0.502 0.652 85 HB THR1115 HB THR1115 7.975 1.349 3.012 86 HG1 THR1115 HG1 THR1115 8.877 2.430 1.094 87 HG21 THR1115 HG21 THR1115 8.863 -0.893 3.469 88 HG22 THR1115 HG22 THR1115 10.095 0.342 3.721 89 HG23 THR1115 HG23 THR1115 10.120 -0.645 2.258 90 H CYS1116 HN CYS1116 6.946 -2.168 0.743 91 HA CYS1116 HA CYS1116 4.402 -2.089 1.983 92 HB2 CYS1116 HB2 CYS1116 6.020 -4.531 1.244 93 HB3 CYS1116 HB1 CYS1116 4.275 -4.441 1.447 94 H ASP1117 HN ASP1117 3.764 -3.791 3.695 95 HA ASP1117 HA ASP1117 5.111 -3.166 6.084 96 HB2 ASP1117 HB2 ASP1117 2.750 -3.826 6.045 97 HB3 ASP1117 HB1 ASP1117 3.200 -5.448 5.532 98 H ASN1118 HN ASN1118 5.312 -5.935 3.932 99 HA ASN1118 HA ASN1118 7.244 -7.291 5.610 100 HB2 ASN1118 HB2 ASN1118 7.253 -9.015 3.880 101 HB3 ASN1118 HB1 ASN1118 5.599 -8.594 4.307 102 HD21 ASN1118 HD21 ASN1118 6.646 -9.832 1.897 103 HD22 ASN1118 HD22 ASN1118 6.153 -8.819 0.587 104 H HIS1119 HN HIS1119 7.579 -4.604 4.093 105 HA HIS1119 HA HIS1119 9.341 -3.378 3.395 106 HB2 HIS1119 HB2 HIS1119 10.980 -5.832 4.049 107 HB3 HIS1119 HB1 HIS1119 11.623 -4.223 3.737 108 HD1 HIS1119 HD1 HIS1119 10.633 -6.370 6.436 109 HD2 HIS1119 HD2 HIS1119 10.532 -2.272 5.743 110 HE1 HIS1119 HE1 HIS1119 10.357 -5.306 8.695 111 HE2 HIS1119 HE2 HIS1119 10.471 -2.831 8.267 112 H GLN1120 HN GLN1120 7.857 -5.207 1.563 113 HA GLN1120 HA GLN1120 9.705 -5.736 -0.576 114 HB2 GLN1120 HB2 GLN1120 7.676 -7.072 -0.387 115 HB3 GLN1120 HB1 GLN1120 6.680 -5.631 -0.494 116 HG2 GLN1120 HG2 GLN1120 6.636 -6.815 -2.582 117 HG3 GLN1120 HG1 GLN1120 7.459 -5.272 -2.788 118 HE21 GLN1120 HE21 GLN1120 8.944 -8.058 -1.277 119 HE22 GLN1120 HE22 GLN1120 10.073 -8.377 -2.546 120 H CYS1121 HN CYS1121 10.068 -4.476 -2.399 121 HA CYS1121 HA CYS1121 9.187 -1.686 -2.138 122 HB2 CYS1121 HB2 CYS1121 11.574 -2.850 -3.586 123 HB3 CYS1121 HB1 CYS1121 11.149 -1.143 -3.557 124 H ILE1122 HN ILE1122 7.349 -1.508 -3.286 125 HA ILE1122 HA ILE1122 7.414 -2.367 -6.108 126 HB ILE1122 HB ILE1122 4.980 -2.271 -6.100 127 HG12 ILE1122 HG12 ILE1122 5.194 -1.723 -3.133 128 HG13 ILE1122 HG11 ILE1122 4.796 -0.506 -4.341 129 HG21 ILE1122 HG21 ILE1122 4.548 -4.207 -4.649 130 HG22 ILE1122 HG22 ILE1122 6.107 -3.949 -3.864 131 HG23 ILE1122 HG23 ILE1122 6.041 -4.386 -5.573 132 HD11 ILE1122 HD11 ILE1122 2.800 -1.758 -4.945 133 HD12 ILE1122 HD12 ILE1122 2.807 -1.332 -3.232 134 HD13 ILE1122 HD13 ILE1122 3.199 -2.977 -3.734 135 H SER1123 HN SER1123 5.818 -0.832 -7.432 136 HA SER1123 HA SER1123 6.851 1.831 -7.228 137 HB2 SER1123 HB2 SER1123 6.356 0.984 -9.429 138 HB3 SER1123 HB1 SER1123 4.698 0.602 -8.965 139 HG SER1123 HG SER1123 4.278 2.524 -9.711 140 H LYS1124 HN LYS1124 5.772 3.705 -6.604 141 HA LYS1124 HA LYS1124 3.745 3.466 -4.644 142 HB2 LYS1124 HB2 LYS1124 4.903 5.813 -6.117 143 HB3 LYS1124 HB1 LYS1124 3.552 6.013 -5.011 144 HG2 LYS1124 HG2 LYS1124 4.922 5.027 -3.215 145 HG3 LYS1124 HG1 LYS1124 6.283 4.942 -4.338 146 HD2 LYS1124 HD2 LYS1124 6.280 7.343 -4.587 147 HD3 LYS1124 HD1 LYS1124 4.827 7.477 -3.595 148 HE2 LYS1124 HE2 LYS1124 7.509 6.454 -2.668 149 HE3 LYS1124 HE1 LYS1124 6.847 8.053 -2.331 150 HZ1 LYS1124 HZ1 LYS1124 6.519 6.551 -0.471 151 HZ2 LYS1124 HZ2 LYS1124 5.664 5.476 -1.454 152 HZ3 LYS1124 HZ3 LYS1124 5.031 7.006 -1.131 153 H ASN1125 HN ASN1125 3.682 3.784 -8.087 154 HA ASN1125 HA ASN1125 0.997 4.731 -8.291 155 HB2 ASN1125 HB2 ASN1125 2.854 3.397 -10.252 156 HB3 ASN1125 HB1 ASN1125 1.193 3.797 -10.673 157 HD21 ASN1125 HD21 ASN1125 0.597 5.932 -10.918 158 HD22 ASN1125 HD22 ASN1125 1.759 7.209 -11.047 159 H TRP1126 HN TRP1126 2.371 1.722 -7.526 160 HA TRP1126 HA TRP1126 0.091 0.151 -8.416 161 HB2 TRP1126 HB2 TRP1126 2.584 -0.597 -6.877 162 HB3 TRP1126 HB1 TRP1126 1.331 -1.736 -7.338 163 HD1 TRP1126 HD1 TRP1126 1.636 0.475 -10.206 164 HE1 TRP1126 HE1 TRP1126 3.208 -0.508 -11.996 165 HE3 TRP1126 HE3 TRP1126 3.857 -3.181 -7.408 166 HZ2 TRP1126 HZ2 TRP1126 5.135 -2.562 -12.183 167 HZ3 TRP1126 HZ3 TRP1126 5.554 -4.609 -8.467 168 HH2 TRP1126 HH2 TRP1126 6.176 -4.307 -10.807 169 H VAL1127 HN VAL1127 0.915 1.999 -5.736 170 HA VAL1127 HA VAL1127 -0.157 0.394 -3.657 171 HB VAL1127 HB VAL1127 0.180 3.397 -3.741 172 HG11 VAL1127 HG11 VAL1127 0.181 3.262 -1.293 173 HG12 VAL1127 HG12 VAL1127 -0.148 1.533 -1.388 174 HG13 VAL1127 HG13 VAL1127 -1.343 2.692 -1.970 175 HG21 VAL1127 HG21 VAL1127 2.030 1.273 -2.670 176 HG22 VAL1127 HG22 VAL1127 2.293 3.015 -2.603 177 HG23 VAL1127 HG23 VAL1127 2.266 2.187 -4.159 178 H CYS1128 HN CYS1128 -2.166 -0.164 -3.407 179 HA CYS1128 HA CYS1128 -4.426 -0.152 -3.335 180 HB2 CYS1128 HB2 CYS1128 -4.038 1.851 -1.918 181 HB3 CYS1128 HB1 CYS1128 -4.148 2.859 -3.353 182 H ASP1129 HN ASP1129 -3.462 -0.672 -5.745 183 HA ASP1129 HA ASP1129 -5.171 0.847 -7.606 184 HB2 ASP1129 HB2 ASP1129 -3.749 0.199 -9.392 185 HB3 ASP1129 HB1 ASP1129 -2.665 0.648 -8.084 186 H THR1130 HN THR1130 -5.871 -1.239 -5.666 187 HA THR1130 HA THR1130 -7.130 -3.066 -5.390 188 HB THR1130 HB THR1130 -8.872 -3.562 -7.117 189 HG1 THR1130 HG1 THR1130 -7.262 -2.174 -8.700 190 HG21 THR1130 HG21 THR1130 -8.599 -0.695 -6.220 191 HG22 THR1130 HG22 THR1130 -9.305 -2.018 -5.293 192 HG23 THR1130 HG23 THR1130 -10.093 -1.457 -6.767 193 H ASP1131 HN ASP1131 -4.504 -3.509 -6.392 194 HA ASP1131 HA ASP1131 -4.925 -6.267 -7.238 195 HB2 ASP1131 HB2 ASP1131 -4.447 -4.789 -9.258 196 HB3 ASP1131 HB1 ASP1131 -2.841 -4.548 -8.581 197 H ASN1132 HN ASN1132 -3.622 -7.624 -6.121 198 HA ASN1132 HA ASN1132 -2.096 -6.543 -3.969 199 HB2 ASN1132 HB2 ASN1132 -3.318 -8.589 -3.633 200 HB3 ASN1132 HB1 ASN1132 -2.467 -9.371 -4.959 201 HD21 ASN1132 HD21 ASN1132 -1.815 -11.027 -3.589 202 HD22 ASN1132 HD22 ASN1132 -0.545 -10.812 -2.432 203 H ASP1133 HN ASP1133 -0.069 -5.821 -4.068 204 HA ASP1133 HA ASP1133 1.731 -7.047 -6.050 205 HB2 ASP1133 HB2 ASP1133 1.655 -4.189 -5.112 206 HB3 ASP1133 HB1 ASP1133 2.944 -4.866 -6.095 207 H CYS1134 HN CYS1134 1.319 -6.076 -2.746 208 HA CYS1134 HA CYS1134 4.143 -6.365 -2.141 209 HB2 CYS1134 HB2 CYS1134 1.768 -5.809 -0.363 210 HB3 CYS1134 HB1 CYS1134 3.433 -5.886 0.200 211 H GLY1135 HN GLY1135 2.251 -8.688 -2.962 212 HA2 GLY1135 HA2 GLY1135 2.441 -10.966 -2.541 213 HA3 GLY1135 HA1 GLY1135 3.444 -10.595 -1.145 214 H ASP1136 HN ASP1136 2.182 -9.465 0.674 215 HA ASP1136 HA ASP1136 -0.139 -11.031 1.323 216 HB2 ASP1136 HB2 ASP1136 1.249 -8.781 2.744 217 HB3 ASP1136 HB1 ASP1136 -0.193 -9.554 3.380 218 H GLY1137 HN GLY1137 0.538 -7.738 0.357 219 HA2 GLY1137 HA2 GLY1137 -1.100 -6.612 -1.043 220 HA3 GLY1137 HA1 GLY1137 -2.353 -7.339 -0.052 221 H SER1138 HN SER1138 0.527 -5.951 1.359 222 HA SER1138 HA SER1138 -0.985 -4.357 3.114 223 HB2 SER1138 HB2 SER1138 1.201 -3.418 3.813 224 HB3 SER1138 HB1 SER1138 1.213 -5.178 3.747 225 HG SER1138 HG SER1138 2.097 -3.568 1.589 226 H ASP1139 HN ASP1139 0.191 -3.760 -0.072 227 HA ASP1139 HA ASP1139 0.220 -0.900 0.119 228 HB2 ASP1139 HB2 ASP1139 0.534 -0.914 -2.275 229 HB3 ASP1139 HB1 ASP1139 1.550 -2.160 -1.566 230 H GLU1140 HN GLU1140 -2.147 -3.334 -0.489 231 HA GLU1140 HA GLU1140 -4.093 -1.408 -1.470 232 HB2 GLU1140 HB2 GLU1140 -4.362 -4.367 -0.887 233 HB3 GLU1140 HB1 GLU1140 -5.602 -3.360 -1.623 234 HG2 GLU1140 HG2 GLU1140 -2.890 -3.951 -2.790 235 HG3 GLU1140 HG1 GLU1140 -4.413 -4.689 -3.285 236 H LYS1141 HN LYS1141 -3.168 -3.018 1.467 237 HA LYS1141 HA LYS1141 -5.638 -2.486 2.832 238 HB2 LYS1141 HB2 LYS1141 -4.737 -3.593 4.660 239 HB3 LYS1141 HB1 LYS1141 -3.867 -4.341 3.334 240 HG2 LYS1141 HG2 LYS1141 -1.952 -2.879 3.775 241 HG3 LYS1141 HG1 LYS1141 -2.832 -2.142 5.109 242 HD2 LYS1141 HD2 LYS1141 -2.960 -4.363 6.191 243 HD3 LYS1141 HD1 LYS1141 -1.975 -5.020 4.882 244 HE2 LYS1141 HE2 LYS1141 -0.599 -4.519 6.816 245 HE3 LYS1141 HE1 LYS1141 -0.171 -3.480 5.463 246 HZ1 LYS1141 HZ1 LYS1141 -1.865 -2.714 7.778 247 HZ2 LYS1141 HZ2 LYS1141 -1.499 -1.713 6.466 248 HZ3 LYS1141 HZ3 LYS1141 -0.269 -2.225 7.506 249 H ASN1142 HN ASN1142 -2.466 -0.959 2.610 250 HA ASN1142 HA ASN1142 -3.185 1.068 4.562 251 HB2 ASN1142 HB2 ASN1142 -0.864 0.143 4.423 252 HB3 ASN1142 HB1 ASN1142 -0.705 0.883 2.834 253 HD21 ASN1142 HD21 ASN1142 0.968 2.205 3.422 254 HD22 ASN1142 HD22 ASN1142 0.764 3.565 4.477 255 H CYS1143 HN CYS1143 -5.038 1.286 2.825 256 HA CYS1143 HA CYS1143 -4.281 3.489 1.020 257 HB2 CYS1143 HB2 CYS1143 -5.038 1.467 -0.173 258 HB3 CYS1143 HB1 CYS1143 -6.548 1.503 0.726 259 H ASN1144 HN ASN1144 -6.468 2.309 3.453 260 HA ASN1144 HA ASN1144 -8.150 4.665 3.284 261 HB2 ASN1144 HB2 ASN1144 -9.401 3.520 5.171 262 HB3 ASN1144 HB1 ASN1144 -9.361 2.651 3.641 263 HD21 ASN1144 HD21 ASN1144 -8.443 2.651 6.949 264 HD22 ASN1144 HD22 ASN1144 -7.755 1.057 6.981 265 H SER1145 HN SER1145 -6.279 6.033 3.779 266 HA SER1145 HA SER1145 -5.393 6.039 6.550 267 HB2 SER1145 HB2 SER1145 -4.016 8.018 5.706 268 HB3 SER1145 HB1 SER1145 -3.649 6.446 4.993 269 HG SER1145 HG SER1145 -3.875 7.647 3.234 270 H THR1146 HN THR1146 -6.497 8.601 4.374 271 HA THR1146 HA THR1146 -7.655 10.010 6.641 272 HB THR1146 HB THR1146 -7.974 11.852 4.986 273 HG1 THR1146 HG1 THR1146 -6.280 10.804 3.125 274 HG21 THR1146 HG21 THR1146 -5.981 11.820 6.341 275 HG22 THR1146 HG22 THR1146 -5.529 12.292 4.701 276 HG23 THR1146 HG23 THR1146 -5.220 10.646 5.267 277 H GLU1147 HN GLU1147 -8.875 7.575 5.697 278 HA GLU1147 HA GLU1147 -11.125 7.952 4.086 279 HB2 GLU1147 HB2 GLU1147 -11.978 5.898 5.126 280 HB3 GLU1147 HB1 GLU1147 -10.273 5.743 4.720 281 HG2 GLU1147 HG2 GLU1147 -9.665 6.158 7.035 282 HG3 GLU1147 HG1 GLU1147 -11.362 6.363 7.457 283 H THR1148 HN THR1148 -10.528 8.766 7.392 284 HA THR1148 HA THR1148 -13.314 9.176 8.048 285 HB THR1148 HB THR1148 -12.333 10.052 10.206 286 HG1 THR1148 HG1 THR1148 -10.264 10.481 10.165 287 HG21 THR1148 HG21 THR1148 -11.631 7.838 11.000 288 HG22 THR1148 HG22 THR1148 -11.492 7.286 9.333 289 HG23 THR1148 HG23 THR1148 -13.068 7.731 9.986 Start of MODEL 19 1 H1 THR1103 HT1 THR1103 29.767 7.847 3.985 2 H2 THR1103 HT2 THR1103 28.262 8.558 4.280 3 H3 THR1103 HT3 THR1103 29.333 9.274 3.190 4 HA THR1103 HA THR1103 27.549 8.128 2.051 5 HB THR1103 HB THR1103 30.166 6.663 1.662 6 HG1 THR1103 HG1 THR1103 29.375 9.293 0.864 7 HG21 THR1103 HG21 THR1103 29.502 6.647 -0.694 8 HG22 THR1103 HG22 THR1103 28.012 7.499 -0.288 9 HG23 THR1103 HG23 THR1103 28.281 5.860 0.307 10 H HIS1104 HN HIS1104 26.314 7.116 3.826 11 HA HIS1104 HA HIS1104 26.538 4.202 3.634 12 HB2 HIS1104 HB2 HIS1104 26.266 5.768 6.202 13 HB3 HIS1104 HB1 HIS1104 25.832 4.070 6.076 14 HD1 HIS1104 HD1 HIS1104 28.454 5.973 7.318 15 HD2 HIS1104 HD2 HIS1104 28.309 2.676 4.791 16 HE1 HIS1104 HE1 HIS1104 30.725 4.907 7.463 17 HE2 HIS1104 HE2 HIS1104 30.669 3.040 5.774 18 H ALA1105 HN ALA1105 24.813 4.142 2.253 19 HA ALA1105 HA ALA1105 22.334 5.473 2.973 20 HB1 ALA1105 HB1 ALA1105 21.543 4.719 0.786 21 HB2 ALA1105 HB2 ALA1105 23.034 3.803 0.563 22 HB3 ALA1105 HB3 ALA1105 23.086 5.563 0.655 23 HA PRO1106 HA PRO1106 20.610 1.768 4.855 24 HB2 PRO1106 HB2 PRO1106 18.061 3.197 4.447 25 HB3 PRO1106 HB1 PRO1106 18.782 2.602 5.945 26 HG2 PRO1106 HG2 PRO1106 18.671 5.219 5.384 27 HG3 PRO1106 HG1 PRO1106 20.045 4.509 6.252 28 HD2 PRO1106 HD2 PRO1106 19.833 5.323 3.378 29 HD3 PRO1106 HD1 PRO1106 21.187 5.516 4.512 30 H ALA1107 HN ALA1107 19.418 0.007 4.094 31 HA ALA1107 HA ALA1107 19.148 -0.125 1.234 32 HB1 ALA1107 HB1 ALA1107 18.507 -2.193 3.329 33 HB2 ALA1107 HB2 ALA1107 20.052 -2.010 2.499 34 HB3 ALA1107 HB3 ALA1107 18.613 -2.475 1.592 35 H SER1108 HN SER1108 17.454 1.772 1.929 36 HA SER1108 HA SER1108 14.778 0.727 2.275 37 HB2 SER1108 HB2 SER1108 14.206 3.211 1.988 38 HB3 SER1108 HB1 SER1108 15.175 2.778 3.396 39 HG SER1108 HG SER1108 16.368 4.359 2.604 40 H CYS1109 HN CYS1109 13.064 1.568 0.706 41 HA CYS1109 HA CYS1109 13.824 0.695 -1.922 42 HB2 CYS1109 HB2 CYS1109 11.171 1.816 -0.992 43 HB3 CYS1109 HB1 CYS1109 11.466 0.929 -2.481 44 H LEU1110 HN LEU1110 12.595 2.100 -3.738 45 HA LEU1110 HA LEU1110 14.205 4.394 -4.089 46 HB2 LEU1110 HB2 LEU1110 12.874 2.761 -5.740 47 HB3 LEU1110 HB1 LEU1110 11.704 4.049 -5.645 48 HG LEU1110 HG LEU1110 13.335 5.632 -6.515 49 HD11 LEU1110 HD11 LEU1110 15.383 4.702 -5.643 50 HD12 LEU1110 HD12 LEU1110 15.486 4.795 -7.401 51 HD13 LEU1110 HD13 LEU1110 15.174 3.248 -6.616 52 HD21 LEU1110 HD21 LEU1110 13.097 3.109 -8.149 53 HD22 LEU1110 HD22 LEU1110 13.464 4.716 -8.780 54 HD23 LEU1110 HD23 LEU1110 11.891 4.394 -8.047 55 H ASP1111 HN ASP1111 13.272 6.588 -4.613 56 HA ASP1111 HA ASP1111 11.638 7.527 -2.486 57 HB2 ASP1111 HB2 ASP1111 12.468 8.895 -5.058 58 HB3 ASP1111 HB1 ASP1111 11.673 9.696 -3.708 59 H THR1112 HN THR1112 11.080 6.786 -5.881 60 HA THR1112 HA THR1112 8.279 7.486 -5.710 61 HB THR1112 HB THR1112 8.264 6.455 -8.069 62 HG1 THR1112 HG1 THR1112 10.119 5.762 -8.864 63 HG21 THR1112 HG21 THR1112 10.006 8.850 -7.472 64 HG22 THR1112 HG22 THR1112 8.259 8.858 -7.702 65 HG23 THR1112 HG23 THR1112 9.323 8.458 -9.049 66 H GLN1113 HN GLN1113 10.077 4.860 -4.740 67 HA GLN1113 HA GLN1113 8.001 2.928 -5.357 68 HB2 GLN1113 HB2 GLN1113 10.752 2.681 -4.187 69 HB3 GLN1113 HB1 GLN1113 9.581 1.384 -4.013 70 HG2 GLN1113 HG2 GLN1113 9.311 1.642 -6.574 71 HG3 GLN1113 HG1 GLN1113 10.879 2.428 -6.482 72 HE21 GLN1113 HE21 GLN1113 12.691 1.204 -5.926 73 HE22 GLN1113 HE22 GLN1113 12.677 -0.516 -5.947 74 H TYR1114 HN TYR1114 7.117 1.591 -3.737 75 HA TYR1114 HA TYR1114 6.690 3.029 -1.200 76 HB2 TYR1114 HB2 TYR1114 4.657 2.765 -2.586 77 HB3 TYR1114 HB1 TYR1114 4.906 1.025 -2.581 78 HD1 TYR1114 HD1 TYR1114 4.504 3.848 -0.170 79 HD2 TYR1114 HD2 TYR1114 3.746 -0.247 -1.041 80 HE1 TYR1114 HE1 TYR1114 3.168 3.664 1.886 81 HE2 TYR1114 HE2 TYR1114 2.406 -0.439 1.011 82 HH TYR1114 HH TYR1114 2.210 0.694 3.191 83 H THR1115 HN THR1115 6.648 1.837 0.695 84 HA THR1115 HA THR1115 8.206 -0.645 0.556 85 HB THR1115 HB THR1115 7.788 1.059 3.012 86 HG1 THR1115 HG1 THR1115 8.796 2.353 1.451 87 HG21 THR1115 HG21 THR1115 9.778 -0.062 3.823 88 HG22 THR1115 HG22 THR1115 9.982 -0.885 2.279 89 HG23 THR1115 HG23 THR1115 8.608 -1.282 3.309 90 H CYS1116 HN CYS1116 6.962 -2.378 0.653 91 HA CYS1116 HA CYS1116 4.410 -2.584 1.775 92 HB2 CYS1116 HB2 CYS1116 6.557 -4.668 1.340 93 HB3 CYS1116 HB1 CYS1116 4.913 -5.053 1.843 94 H ASP1117 HN ASP1117 3.689 -3.510 3.720 95 HA ASP1117 HA ASP1117 5.120 -2.739 6.037 96 HB2 ASP1117 HB2 ASP1117 2.650 -2.851 5.920 97 HB3 ASP1117 HB1 ASP1117 2.748 -4.604 5.803 98 H ASN1118 HN ASN1118 5.246 -5.483 4.070 99 HA ASN1118 HA ASN1118 6.599 -7.092 6.111 100 HB2 ASN1118 HB2 ASN1118 5.824 -7.827 3.279 101 HB3 ASN1118 HB1 ASN1118 6.486 -8.921 4.487 102 HD21 ASN1118 HD21 ASN1118 3.949 -8.889 2.977 103 HD22 ASN1118 HD22 ASN1118 2.692 -8.994 4.169 104 H HIS1119 HN HIS1119 7.537 -4.626 4.572 105 HA HIS1119 HA HIS1119 9.429 -3.762 3.691 106 HB2 HIS1119 HB2 HIS1119 10.557 -6.296 4.879 107 HB3 HIS1119 HB1 HIS1119 11.572 -5.129 4.039 108 HD1 HIS1119 HD1 HIS1119 12.541 -5.308 6.693 109 HD2 HIS1119 HD2 HIS1119 9.130 -3.058 5.927 110 HE1 HIS1119 HE1 HIS1119 12.321 -3.728 8.636 111 HE2 HIS1119 HE2 HIS1119 10.327 -2.291 8.086 112 H GLN1120 HN GLN1120 8.367 -4.008 1.635 113 HA GLN1120 HA GLN1120 10.092 -5.472 -0.187 114 HB2 GLN1120 HB2 GLN1120 8.137 -6.964 0.180 115 HB3 GLN1120 HB1 GLN1120 7.073 -5.671 -0.351 116 HG2 GLN1120 HG2 GLN1120 8.005 -5.725 -2.554 117 HG3 GLN1120 HG1 GLN1120 9.239 -6.866 -2.041 118 HE21 GLN1120 HE21 GLN1120 7.238 -7.064 -4.151 119 HE22 GLN1120 HE22 GLN1120 6.329 -8.497 -3.815 120 H CYS1121 HN CYS1121 10.264 -4.472 -2.215 121 HA CYS1121 HA CYS1121 9.354 -1.690 -2.146 122 HB2 CYS1121 HB2 CYS1121 11.573 -2.965 -3.755 123 HB3 CYS1121 HB1 CYS1121 11.186 -1.249 -3.722 124 H ILE1122 HN ILE1122 7.495 -1.438 -3.189 125 HA ILE1122 HA ILE1122 7.366 -2.394 -5.979 126 HB ILE1122 HB ILE1122 4.953 -2.325 -5.877 127 HG12 ILE1122 HG12 ILE1122 5.193 -1.677 -2.939 128 HG13 ILE1122 HG11 ILE1122 4.856 -0.475 -4.178 129 HG21 ILE1122 HG21 ILE1122 4.533 -4.191 -4.342 130 HG22 ILE1122 HG22 ILE1122 6.102 -3.910 -3.586 131 HG23 ILE1122 HG23 ILE1122 6.014 -4.421 -5.271 132 HD11 ILE1122 HD11 ILE1122 2.827 -1.203 -3.066 133 HD12 ILE1122 HD12 ILE1122 3.154 -2.869 -3.548 134 HD13 ILE1122 HD13 ILE1122 2.815 -1.645 -4.774 135 H SER1123 HN SER1123 5.623 -0.798 -7.148 136 HA SER1123 HA SER1123 6.799 1.839 -6.884 137 HB2 SER1123 HB2 SER1123 6.441 0.988 -9.132 138 HB3 SER1123 HB1 SER1123 4.726 0.737 -8.801 139 HG SER1123 HG SER1123 4.469 2.703 -9.480 140 H LYS1124 HN LYS1124 5.745 3.697 -6.231 141 HA LYS1124 HA LYS1124 3.575 3.469 -4.434 142 HB2 LYS1124 HB2 LYS1124 4.869 5.829 -5.778 143 HB3 LYS1124 HB1 LYS1124 3.473 6.023 -4.730 144 HG2 LYS1124 HG2 LYS1124 4.747 4.968 -2.898 145 HG3 LYS1124 HG1 LYS1124 6.153 4.891 -3.963 146 HD2 LYS1124 HD2 LYS1124 6.159 7.313 -4.170 147 HD3 LYS1124 HD1 LYS1124 4.705 7.420 -3.177 148 HE2 LYS1124 HE2 LYS1124 7.393 6.379 -2.291 149 HE3 LYS1124 HE1 LYS1124 6.700 7.946 -1.876 150 HZ1 LYS1124 HZ1 LYS1124 4.865 6.753 -0.780 151 HZ2 LYS1124 HZ2 LYS1124 6.366 6.427 -0.075 152 HZ3 LYS1124 HZ3 LYS1124 5.646 5.288 -1.091 153 H ASN1125 HN ASN1125 3.736 3.725 -7.833 154 HA ASN1125 HA ASN1125 1.114 4.849 -8.201 155 HB2 ASN1125 HB2 ASN1125 2.957 3.466 -10.160 156 HB3 ASN1125 HB1 ASN1125 1.463 4.286 -10.595 157 HD21 ASN1125 HD21 ASN1125 2.462 5.760 -11.911 158 HD22 ASN1125 HD22 ASN1125 3.463 7.034 -11.306 159 H TRP1126 HN TRP1126 2.207 1.880 -7.233 160 HA TRP1126 HA TRP1126 0.004 0.392 -8.475 161 HB2 TRP1126 HB2 TRP1126 2.391 -0.575 -6.888 162 HB3 TRP1126 HB1 TRP1126 1.152 -1.606 -7.583 163 HD1 TRP1126 HD1 TRP1126 1.418 0.643 -10.264 164 HE1 TRP1126 HE1 TRP1126 3.213 -0.009 -11.989 165 HE3 TRP1126 HE3 TRP1126 4.062 -2.705 -7.458 166 HZ2 TRP1126 HZ2 TRP1126 5.449 -1.721 -12.141 167 HZ3 TRP1126 HZ3 TRP1126 6.014 -3.811 -8.464 168 HH2 TRP1126 HH2 TRP1126 6.690 -3.331 -10.759 169 H VAL1127 HN VAL1127 0.689 2.094 -5.732 170 HA VAL1127 HA VAL1127 -0.400 0.440 -3.716 171 HB VAL1127 HB VAL1127 -0.138 3.450 -3.791 172 HG11 VAL1127 HG11 VAL1127 -0.625 1.613 -1.447 173 HG12 VAL1127 HG12 VAL1127 -1.776 2.763 -2.125 174 HG13 VAL1127 HG13 VAL1127 -0.304 3.346 -1.349 175 HG21 VAL1127 HG21 VAL1127 1.988 2.269 -4.034 176 HG22 VAL1127 HG22 VAL1127 1.648 1.350 -2.568 177 HG23 VAL1127 HG23 VAL1127 1.886 3.095 -2.480 178 H CYS1128 HN CYS1128 -2.396 -0.224 -3.555 179 HA CYS1128 HA CYS1128 -4.654 -0.264 -3.419 180 HB2 CYS1128 HB2 CYS1128 -4.320 1.846 -2.142 181 HB3 CYS1128 HB1 CYS1128 -4.513 2.742 -3.639 182 H ASP1129 HN ASP1129 -3.556 -0.786 -5.842 183 HA ASP1129 HA ASP1129 -5.329 0.534 -7.791 184 HB2 ASP1129 HB2 ASP1129 -3.788 -0.022 -9.493 185 HB3 ASP1129 HB1 ASP1129 -2.779 0.482 -8.143 186 H THR1130 HN THR1130 -5.850 -1.653 -5.814 187 HA THR1130 HA THR1130 -6.999 -3.562 -5.586 188 HB THR1130 HB THR1130 -8.643 -4.216 -7.308 189 HG1 THR1130 HG1 THR1130 -7.020 -2.882 -8.948 190 HG21 THR1130 HG21 THR1130 -9.232 -2.503 -5.689 191 HG22 THR1130 HG22 THR1130 -9.968 -2.143 -7.251 192 HG23 THR1130 HG23 THR1130 -8.536 -1.256 -6.726 193 H ASP1131 HN ASP1131 -4.277 -3.744 -6.487 194 HA ASP1131 HA ASP1131 -4.412 -6.535 -7.346 195 HB2 ASP1131 HB2 ASP1131 -3.849 -5.037 -9.309 196 HB3 ASP1131 HB1 ASP1131 -2.358 -4.631 -8.469 197 H ASN1132 HN ASN1132 -2.963 -7.847 -6.327 198 HA ASN1132 HA ASN1132 -1.492 -6.673 -4.117 199 HB2 ASN1132 HB2 ASN1132 -2.085 -9.524 -4.906 200 HB3 ASN1132 HB1 ASN1132 -1.017 -9.114 -3.569 201 HD21 ASN1132 HD21 ASN1132 -4.291 -9.149 -4.722 202 HD22 ASN1132 HD22 ASN1132 -5.041 -8.832 -3.194 203 H ASP1133 HN ASP1133 -0.027 -5.586 -5.678 204 HA ASP1133 HA ASP1133 1.819 -6.952 -7.290 205 HB2 ASP1133 HB2 ASP1133 2.313 -4.361 -5.826 206 HB3 ASP1133 HB1 ASP1133 3.141 -4.928 -7.268 207 H CYS1134 HN CYS1134 1.580 -6.643 -3.926 208 HA CYS1134 HA CYS1134 4.420 -7.169 -3.478 209 HB2 CYS1134 HB2 CYS1134 3.164 -5.293 -2.317 210 HB3 CYS1134 HB1 CYS1134 2.281 -6.543 -1.442 211 H GLY1135 HN GLY1135 1.955 -9.056 -4.192 212 HA2 GLY1135 HA2 GLY1135 1.349 -11.223 -3.664 213 HA3 GLY1135 HA1 GLY1135 2.703 -11.275 -2.535 214 H ASP1136 HN ASP1136 2.418 -10.170 -0.463 215 HA ASP1136 HA ASP1136 -0.341 -10.136 0.473 216 HB2 ASP1136 HB2 ASP1136 1.382 -11.132 1.943 217 HB3 ASP1136 HB1 ASP1136 2.224 -9.590 1.974 218 H GLY1137 HN GLY1137 -1.191 -8.411 -0.605 219 HA2 GLY1137 HA2 GLY1137 0.222 -6.020 -1.115 220 HA3 GLY1137 HA1 GLY1137 -1.489 -6.287 -1.382 221 H SER1138 HN SER1138 0.885 -5.514 1.136 222 HA SER1138 HA SER1138 -0.988 -4.335 2.906 223 HB2 SER1138 HB2 SER1138 1.024 -3.199 3.877 224 HB3 SER1138 HB1 SER1138 1.227 -4.941 3.704 225 HG SER1138 HG SER1138 2.142 -3.032 1.814 226 H ASP1139 HN ASP1139 0.325 -3.420 -0.086 227 HA ASP1139 HA ASP1139 0.085 -0.586 0.146 228 HB2 ASP1139 HB2 ASP1139 0.476 -0.553 -2.238 229 HB3 ASP1139 HB1 ASP1139 1.550 -1.738 -1.509 230 H GLU1140 HN GLU1140 -2.082 -3.184 -0.456 231 HA GLU1140 HA GLU1140 -4.170 -1.418 -1.468 232 HB2 GLU1140 HB2 GLU1140 -4.235 -4.383 -0.840 233 HB3 GLU1140 HB1 GLU1140 -5.522 -3.475 -1.620 234 HG2 GLU1140 HG2 GLU1140 -2.758 -3.886 -2.732 235 HG3 GLU1140 HG1 GLU1140 -4.200 -4.780 -3.211 236 H LYS1141 HN LYS1141 -3.249 -3.193 1.420 237 HA LYS1141 HA LYS1141 -5.707 -2.800 2.809 238 HB2 LYS1141 HB2 LYS1141 -4.754 -3.943 4.561 239 HB3 LYS1141 HB1 LYS1141 -3.766 -4.526 3.236 240 HG2 LYS1141 HG2 LYS1141 -2.007 -2.954 3.837 241 HG3 LYS1141 HG1 LYS1141 -3.016 -2.311 5.131 242 HD2 LYS1141 HD2 LYS1141 -3.040 -4.549 6.174 243 HD3 LYS1141 HD1 LYS1141 -1.938 -5.115 4.917 244 HE2 LYS1141 HE2 LYS1141 -0.717 -4.551 6.936 245 HE3 LYS1141 HE1 LYS1141 -0.286 -3.457 5.628 246 HZ1 LYS1141 HZ1 LYS1141 -2.259 -2.824 7.755 247 HZ2 LYS1141 HZ2 LYS1141 -1.673 -1.766 6.571 248 HZ3 LYS1141 HZ3 LYS1141 -0.642 -2.336 7.779 249 H ASN1142 HN ASN1142 -2.762 -0.984 2.462 250 HA ASN1142 HA ASN1142 -3.467 0.891 4.561 251 HB2 ASN1142 HB2 ASN1142 -1.079 0.183 3.844 252 HB3 ASN1142 HB1 ASN1142 -1.304 1.294 2.501 253 HD21 ASN1142 HD21 ASN1142 0.600 1.380 4.693 254 HD22 ASN1142 HD22 ASN1142 0.344 2.891 5.499 255 H CYS1143 HN CYS1143 -5.467 0.627 2.709 256 HA CYS1143 HA CYS1143 -5.549 3.323 1.581 257 HB2 CYS1143 HB2 CYS1143 -4.889 1.744 -0.223 258 HB3 CYS1143 HB1 CYS1143 -6.377 0.847 0.053 259 H ASN1144 HN ASN1144 -6.796 1.389 3.738 260 HA ASN1144 HA ASN1144 -9.467 2.529 3.418 261 HB2 ASN1144 HB2 ASN1144 -10.559 0.490 4.153 262 HB3 ASN1144 HB1 ASN1144 -9.591 0.140 2.729 263 HD21 ASN1144 HD21 ASN1144 -10.011 -0.405 6.113 264 HD22 ASN1144 HD22 ASN1144 -8.836 -1.667 6.266 265 H SER1145 HN SER1145 -10.680 2.043 5.639 266 HA SER1145 HA SER1145 -10.907 2.863 7.725 267 HB2 SER1145 HB2 SER1145 -9.331 1.950 9.429 268 HB3 SER1145 HB1 SER1145 -9.976 0.724 8.343 269 HG SER1145 HG SER1145 -7.694 1.744 7.338 270 H THR1146 HN THR1146 -8.903 3.665 9.642 271 HA THR1146 HA THR1146 -8.548 6.343 8.653 272 HB THR1146 HB THR1146 -7.568 6.712 10.976 273 HG1 THR1146 HG1 THR1146 -6.984 4.649 11.561 274 HG21 THR1146 HG21 THR1146 -10.359 5.574 10.805 275 HG22 THR1146 HG22 THR1146 -9.903 7.221 10.380 276 HG23 THR1146 HG23 THR1146 -9.752 6.668 12.046 277 H GLU1147 HN GLU1147 -7.034 5.305 6.945 278 HA GLU1147 HA GLU1147 -4.376 4.657 7.675 279 HB2 GLU1147 HB2 GLU1147 -3.856 5.025 5.288 280 HB3 GLU1147 HB1 GLU1147 -5.285 4.022 5.504 281 HG2 GLU1147 HG2 GLU1147 -6.729 5.848 4.969 282 HG3 GLU1147 HG1 GLU1147 -5.378 6.977 4.952 283 H THR1148 HN THR1148 -5.998 7.664 6.877 284 HA THR1148 HA THR1148 -3.662 9.171 7.800 285 HB THR1148 HB THR1148 -5.101 10.137 5.343 286 HG1 THR1148 HG1 THR1148 -4.253 8.600 4.154 287 HG21 THR1148 HG21 THR1148 -2.259 10.393 6.347 288 HG22 THR1148 HG22 THR1148 -3.499 11.646 6.386 289 HG23 THR1148 HG23 THR1148 -2.864 11.085 4.842 Start of MODEL 20 1 H1 THR1103 HT1 THR1103 23.726 -1.126 -5.455 2 H2 THR1103 HT2 THR1103 25.185 -0.747 -4.695 3 H3 THR1103 HT3 THR1103 24.074 0.476 -5.053 4 HA THR1103 HA THR1103 24.042 -0.073 -2.713 5 HB THR1103 HB THR1103 21.495 -1.065 -3.985 6 HG1 THR1103 HG1 THR1103 21.220 1.465 -3.847 7 HG21 THR1103 HG21 THR1103 22.049 0.681 -1.579 8 HG22 THR1103 HG22 THR1103 21.575 -1.016 -1.536 9 HG23 THR1103 HG23 THR1103 20.455 0.196 -2.154 10 H HIS1104 HN HIS1104 25.423 -1.793 -2.148 11 HA HIS1104 HA HIS1104 24.568 -4.534 -2.533 12 HB2 HIS1104 HB2 HIS1104 26.843 -3.391 -0.890 13 HB3 HIS1104 HB1 HIS1104 26.571 -5.103 -1.183 14 HD1 HIS1104 HD1 HIS1104 28.053 -2.075 -2.662 15 HD2 HIS1104 HD2 HIS1104 27.103 -5.930 -3.869 16 HE1 HIS1104 HE1 HIS1104 29.288 -2.427 -4.816 17 HE2 HIS1104 HE2 HIS1104 28.859 -4.831 -5.413 18 H ALA1105 HN ALA1105 24.368 -2.068 -0.127 19 HA ALA1105 HA ALA1105 23.651 -3.879 2.014 20 HB1 ALA1105 HB1 ALA1105 23.630 -0.866 1.935 21 HB2 ALA1105 HB2 ALA1105 24.982 -1.863 2.461 22 HB3 ALA1105 HB3 ALA1105 23.475 -1.873 3.374 23 HA PRO1106 HA PRO1106 19.225 -3.598 1.286 24 HB2 PRO1106 HB2 PRO1106 18.919 -4.204 4.134 25 HB3 PRO1106 HB1 PRO1106 18.413 -5.152 2.735 26 HG2 PRO1106 HG2 PRO1106 20.447 -5.918 4.337 27 HG3 PRO1106 HG1 PRO1106 20.417 -6.276 2.602 28 HD2 PRO1106 HD2 PRO1106 21.931 -4.163 4.080 29 HD3 PRO1106 HD1 PRO1106 22.442 -5.175 2.711 30 H ALA1107 HN ALA1107 18.209 -1.699 1.217 31 HA ALA1107 HA ALA1107 18.318 0.074 3.549 32 HB1 ALA1107 HB1 ALA1107 18.975 0.924 0.729 33 HB2 ALA1107 HB2 ALA1107 20.115 0.792 2.068 34 HB3 ALA1107 HB3 ALA1107 18.830 1.998 2.119 35 H SER1108 HN SER1108 17.001 2.233 2.549 36 HA SER1108 HA SER1108 14.305 1.391 2.468 37 HB2 SER1108 HB2 SER1108 13.963 3.879 1.884 38 HB3 SER1108 HB1 SER1108 14.704 3.495 3.436 39 HG SER1108 HG SER1108 15.999 4.346 1.055 40 H CYS1109 HN CYS1109 12.755 1.974 0.745 41 HA CYS1109 HA CYS1109 13.711 1.020 -1.797 42 HB2 CYS1109 HB2 CYS1109 10.958 1.964 -0.965 43 HB3 CYS1109 HB1 CYS1109 11.346 1.162 -2.483 44 H LEU1110 HN LEU1110 12.350 2.342 -3.694 45 HA LEU1110 HA LEU1110 14.004 4.559 -4.192 46 HB2 LEU1110 HB2 LEU1110 12.578 2.988 -5.749 47 HB3 LEU1110 HB1 LEU1110 11.371 4.227 -5.541 48 HG LEU1110 HG LEU1110 12.936 5.901 -6.468 49 HD11 LEU1110 HD11 LEU1110 14.940 5.115 -7.640 50 HD12 LEU1110 HD12 LEU1110 14.673 3.494 -6.999 51 HD13 LEU1110 HD13 LEU1110 15.042 4.827 -5.905 52 HD21 LEU1110 HD21 LEU1110 12.378 3.486 -8.186 53 HD22 LEU1110 HD22 LEU1110 12.776 5.097 -8.788 54 HD23 LEU1110 HD23 LEU1110 11.282 4.835 -7.885 55 H ASP1111 HN ASP1111 13.165 6.750 -4.785 56 HA ASP1111 HA ASP1111 11.831 8.016 -2.673 57 HB2 ASP1111 HB2 ASP1111 12.101 8.985 -5.528 58 HB3 ASP1111 HB1 ASP1111 11.773 9.982 -4.118 59 H THR1112 HN THR1112 10.687 6.932 -5.852 60 HA THR1112 HA THR1112 7.949 7.589 -5.059 61 HB THR1112 HB THR1112 7.406 7.033 -7.468 62 HG1 THR1112 HG1 THR1112 9.076 5.945 -8.306 63 HG21 THR1112 HG21 THR1112 7.591 9.329 -6.712 64 HG22 THR1112 HG22 THR1112 8.306 9.175 -8.315 65 HG23 THR1112 HG23 THR1112 9.342 9.275 -6.894 66 H GLN1113 HN GLN1113 9.769 5.079 -4.393 67 HA GLN1113 HA GLN1113 7.755 3.099 -5.130 68 HB2 GLN1113 HB2 GLN1113 10.556 2.894 -4.101 69 HB3 GLN1113 HB1 GLN1113 9.451 1.537 -3.959 70 HG2 GLN1113 HG2 GLN1113 9.077 1.664 -6.405 71 HG3 GLN1113 HG1 GLN1113 10.330 2.895 -6.490 72 HE21 GLN1113 HE21 GLN1113 10.239 0.293 -7.737 73 HE22 GLN1113 HE22 GLN1113 11.638 -0.559 -7.181 74 H TYR1114 HN TYR1114 7.080 1.570 -3.538 75 HA TYR1114 HA TYR1114 6.595 2.827 -0.921 76 HB2 TYR1114 HB2 TYR1114 4.587 2.458 -2.355 77 HB3 TYR1114 HB1 TYR1114 4.973 0.745 -2.390 78 HD1 TYR1114 HD1 TYR1114 3.955 3.501 -0.137 79 HD2 TYR1114 HD2 TYR1114 4.259 -0.705 -0.690 80 HE1 TYR1114 HE1 TYR1114 2.595 3.140 1.877 81 HE2 TYR1114 HE2 TYR1114 2.902 -1.074 1.327 82 HH TYR1114 HH TYR1114 2.323 0.117 3.389 83 H THR1115 HN THR1115 6.694 1.475 0.907 84 HA THR1115 HA THR1115 8.437 -0.859 0.532 85 HB THR1115 HB THR1115 7.959 0.654 3.105 86 HG1 THR1115 HG1 THR1115 8.960 1.916 1.347 87 HG21 THR1115 HG21 THR1115 10.055 -0.425 3.795 88 HG22 THR1115 HG22 THR1115 10.137 -1.257 2.242 89 HG23 THR1115 HG23 THR1115 8.829 -1.620 3.369 90 H CYS1116 HN CYS1116 7.372 -2.712 0.548 91 HA CYS1116 HA CYS1116 4.736 -2.950 1.600 92 HB2 CYS1116 HB2 CYS1116 6.647 -5.026 0.543 93 HB3 CYS1116 HB1 CYS1116 4.971 -5.347 0.964 94 H ASP1117 HN ASP1117 4.380 -5.217 2.828 95 HA ASP1117 HA ASP1117 5.026 -4.608 5.474 96 HB2 ASP1117 HB2 ASP1117 3.845 -6.614 6.054 97 HB3 ASP1117 HB1 ASP1117 3.028 -5.882 4.683 98 H ASN1118 HN ASN1118 6.505 -6.933 3.237 99 HA ASN1118 HA ASN1118 8.441 -7.644 5.329 100 HB2 ASN1118 HB2 ASN1118 7.673 -8.997 2.753 101 HB3 ASN1118 HB1 ASN1118 9.136 -9.429 3.626 102 HD21 ASN1118 HD21 ASN1118 6.860 -11.067 3.050 103 HD22 ASN1118 HD22 ASN1118 6.209 -11.578 4.569 104 H HIS1119 HN HIS1119 8.545 -5.106 3.955 105 HA HIS1119 HA HIS1119 10.111 -3.687 3.139 106 HB2 HIS1119 HB2 HIS1119 11.923 -6.016 3.753 107 HB3 HIS1119 HB1 HIS1119 12.525 -4.491 3.114 108 HD1 HIS1119 HD1 HIS1119 11.643 -6.170 6.226 109 HD2 HIS1119 HD2 HIS1119 12.021 -2.244 4.906 110 HE1 HIS1119 HE1 HIS1119 11.808 -4.767 8.307 111 HE2 HIS1119 HE2 HIS1119 12.191 -2.419 7.480 112 H GLN1120 HN GLN1120 8.652 -5.542 1.323 113 HA GLN1120 HA GLN1120 10.458 -5.828 -0.917 114 HB2 GLN1120 HB2 GLN1120 8.595 -7.416 -0.627 115 HB3 GLN1120 HB1 GLN1120 7.443 -6.099 -0.775 116 HG2 GLN1120 HG2 GLN1120 7.583 -7.355 -2.836 117 HG3 GLN1120 HG1 GLN1120 8.164 -5.707 -3.068 118 HE21 GLN1120 HE21 GLN1120 9.040 -9.058 -2.895 119 HE22 GLN1120 HE22 GLN1120 10.624 -8.884 -3.571 120 H CYS1121 HN CYS1121 10.640 -4.445 -2.640 121 HA CYS1121 HA CYS1121 9.466 -1.799 -2.201 122 HB2 CYS1121 HB2 CYS1121 11.816 -2.656 -3.898 123 HB3 CYS1121 HB1 CYS1121 11.222 -1.005 -3.774 124 H ILE1122 HN ILE1122 7.605 -1.554 -3.204 125 HA ILE1122 HA ILE1122 7.428 -2.326 -6.048 126 HB ILE1122 HB ILE1122 5.019 -2.278 -5.846 127 HG12 ILE1122 HG12 ILE1122 5.384 -1.718 -2.901 128 HG13 ILE1122 HG11 ILE1122 4.983 -0.479 -4.085 129 HG21 ILE1122 HG21 ILE1122 4.680 -4.189 -4.329 130 HG22 ILE1122 HG22 ILE1122 6.291 -3.922 -3.663 131 HG23 ILE1122 HG23 ILE1122 6.103 -4.388 -5.354 132 HD11 ILE1122 HD11 ILE1122 3.324 -2.893 -3.412 133 HD12 ILE1122 HD12 ILE1122 2.922 -1.673 -4.620 134 HD13 ILE1122 HD13 ILE1122 3.005 -1.229 -2.914 135 H SER1123 HN SER1123 5.972 -0.739 -7.297 136 HA SER1123 HA SER1123 6.919 1.934 -6.813 137 HB2 SER1123 HB2 SER1123 6.714 1.190 -9.115 138 HB3 SER1123 HB1 SER1123 5.004 0.823 -8.882 139 HG SER1123 HG SER1123 4.704 2.801 -9.530 140 H LYS1124 HN LYS1124 5.733 3.706 -6.164 141 HA LYS1124 HA LYS1124 3.514 3.302 -4.470 142 HB2 LYS1124 HB2 LYS1124 4.758 5.753 -5.681 143 HB3 LYS1124 HB1 LYS1124 3.278 5.867 -4.740 144 HG2 LYS1124 HG2 LYS1124 4.389 4.964 -2.800 145 HG3 LYS1124 HG1 LYS1124 5.862 4.695 -3.733 146 HD2 LYS1124 HD2 LYS1124 6.144 7.067 -4.060 147 HD3 LYS1124 HD1 LYS1124 4.596 7.394 -3.284 148 HE2 LYS1124 HE2 LYS1124 6.907 6.049 -1.897 149 HE3 LYS1124 HE1 LYS1124 6.624 7.787 -1.853 150 HZ1 LYS1124 HZ1 LYS1124 4.503 7.405 -0.801 151 HZ2 LYS1124 HZ2 LYS1124 5.721 6.648 0.093 152 HZ3 LYS1124 HZ3 LYS1124 4.706 5.730 -0.901 153 H ASN1125 HN ASN1125 3.749 3.570 -7.861 154 HA ASN1125 HA ASN1125 1.113 4.569 -8.359 155 HB2 ASN1125 HB2 ASN1125 2.912 2.946 -10.174 156 HB3 ASN1125 HB1 ASN1125 1.480 3.836 -10.674 157 HD21 ASN1125 HD21 ASN1125 4.219 4.094 -11.572 158 HD22 ASN1125 HD22 ASN1125 4.671 5.737 -11.277 159 H TRP1126 HN TRP1126 2.412 1.557 -7.415 160 HA TRP1126 HA TRP1126 0.192 -0.016 -8.442 161 HB2 TRP1126 HB2 TRP1126 2.551 -0.801 -6.719 162 HB3 TRP1126 HB1 TRP1126 1.356 -1.916 -7.361 163 HD1 TRP1126 HD1 TRP1126 1.833 0.324 -10.126 164 HE1 TRP1126 HE1 TRP1126 3.624 -0.521 -11.769 165 HE3 TRP1126 HE3 TRP1126 4.031 -3.217 -7.170 166 HZ2 TRP1126 HZ2 TRP1126 5.693 -2.439 -11.805 167 HZ3 TRP1126 HZ3 TRP1126 5.913 -4.513 -8.083 168 HH2 TRP1126 HH2 TRP1126 6.725 -4.133 -10.354 169 H VAL1127 HN VAL1127 0.917 1.815 -5.729 170 HA VAL1127 HA VAL1127 -0.414 0.346 -3.704 171 HB VAL1127 HB VAL1127 0.128 3.320 -3.922 172 HG11 VAL1127 HG11 VAL1127 -0.677 1.694 -1.514 173 HG12 VAL1127 HG12 VAL1127 -1.680 2.883 -2.344 174 HG13 VAL1127 HG13 VAL1127 -0.216 3.397 -1.502 175 HG21 VAL1127 HG21 VAL1127 1.609 1.161 -2.429 176 HG22 VAL1127 HG22 VAL1127 2.018 2.875 -2.463 177 HG23 VAL1127 HG23 VAL1127 2.136 1.911 -3.935 178 H CYS1128 HN CYS1128 -2.474 -0.063 -3.519 179 HA CYS1128 HA CYS1128 -4.722 -0.003 -3.725 180 HB2 CYS1128 HB2 CYS1128 -4.543 2.116 -2.529 181 HB3 CYS1128 HB1 CYS1128 -4.279 2.965 -4.038 182 H ASP1129 HN ASP1129 -3.651 -0.979 -5.830 183 HA ASP1129 HA ASP1129 -5.130 0.234 -8.086 184 HB2 ASP1129 HB2 ASP1129 -3.513 -0.516 -9.615 185 HB3 ASP1129 HB1 ASP1129 -2.549 0.048 -8.256 186 H THR1130 HN THR1130 -5.730 -1.733 -5.868 187 HA THR1130 HA THR1130 -6.898 -3.599 -5.472 188 HB THR1130 HB THR1130 -8.592 -4.336 -7.061 189 HG1 THR1130 HG1 THR1130 -6.927 -3.236 -8.897 190 HG21 THR1130 HG21 THR1130 -9.019 -2.346 -5.714 191 HG22 THR1130 HG22 THR1130 -9.809 -2.229 -7.287 192 HG23 THR1130 HG23 THR1130 -8.321 -1.334 -6.978 193 H ASP1131 HN ASP1131 -4.237 -3.984 -6.129 194 HA ASP1131 HA ASP1131 -4.406 -6.818 -6.784 195 HB2 ASP1131 HB2 ASP1131 -3.693 -5.520 -8.843 196 HB3 ASP1131 HB1 ASP1131 -2.232 -5.087 -7.966 197 H ASN1132 HN ASN1132 -2.971 -8.058 -5.621 198 HA ASN1132 HA ASN1132 -1.823 -6.738 -3.318 199 HB2 ASN1132 HB2 ASN1132 -2.049 -9.666 -4.042 200 HB3 ASN1132 HB1 ASN1132 -1.368 -9.069 -2.534 201 HD21 ASN1132 HD21 ASN1132 -4.253 -9.607 -4.361 202 HD22 ASN1132 HD22 ASN1132 -5.369 -9.263 -3.085 203 H ASP1133 HN ASP1133 -0.135 -5.609 -4.463 204 HA ASP1133 HA ASP1133 2.011 -7.097 -5.658 205 HB2 ASP1133 HB2 ASP1133 2.022 -4.237 -4.691 206 HB3 ASP1133 HB1 ASP1133 3.198 -4.975 -5.767 207 H CYS1134 HN CYS1134 1.275 -5.648 -2.577 208 HA CYS1134 HA CYS1134 3.742 -6.635 -1.381 209 HB2 CYS1134 HB2 CYS1134 1.389 -5.154 -0.190 210 HB3 CYS1134 HB1 CYS1134 2.878 -5.539 0.659 211 H GLY1135 HN GLY1135 3.579 -7.958 0.621 212 HA2 GLY1135 HA2 GLY1135 2.011 -10.269 0.276 213 HA3 GLY1135 HA1 GLY1135 2.881 -9.831 1.740 214 H ASP1136 HN ASP1136 -0.071 -10.545 0.578 215 HA ASP1136 HA ASP1136 -2.183 -10.429 1.383 216 HB2 ASP1136 HB2 ASP1136 -1.172 -10.699 3.625 217 HB3 ASP1136 HB1 ASP1136 -1.019 -8.953 3.742 218 H GLY1137 HN GLY1137 -0.415 -7.899 0.358 219 HA2 GLY1137 HA2 GLY1137 -1.142 -6.079 -0.865 220 HA3 GLY1137 HA1 GLY1137 -2.788 -6.441 -0.367 221 H SER1138 HN SER1138 0.155 -5.636 1.487 222 HA SER1138 HA SER1138 -1.229 -3.953 3.272 223 HB2 SER1138 HB2 SER1138 1.041 -3.218 3.990 224 HB3 SER1138 HB1 SER1138 0.896 -4.971 3.905 225 HG SER1138 HG SER1138 2.510 -3.284 2.510 226 H ASP1139 HN ASP1139 0.000 -3.452 0.102 227 HA ASP1139 HA ASP1139 0.133 -0.587 0.253 228 HB2 ASP1139 HB2 ASP1139 0.514 -0.649 -2.125 229 HB3 ASP1139 HB1 ASP1139 1.470 -1.917 -1.373 230 H GLU1140 HN GLU1140 -2.333 -2.922 -0.200 231 HA GLU1140 HA GLU1140 -4.174 -0.995 -1.415 232 HB2 GLU1140 HB2 GLU1140 -4.587 -3.897 -0.636 233 HB3 GLU1140 HB1 GLU1140 -5.732 -2.903 -1.520 234 HG2 GLU1140 HG2 GLU1140 -2.983 -3.620 -2.508 235 HG3 GLU1140 HG1 GLU1140 -4.457 -4.487 -2.930 236 H LYS1141 HN LYS1141 -3.466 -2.576 1.618 237 HA LYS1141 HA LYS1141 -5.960 -2.409 2.861 238 HB2 LYS1141 HB2 LYS1141 -4.887 -2.981 4.868 239 HB3 LYS1141 HB1 LYS1141 -3.911 -3.723 3.612 240 HG2 LYS1141 HG2 LYS1141 -2.294 -1.889 3.789 241 HG3 LYS1141 HG1 LYS1141 -3.283 -1.152 5.049 242 HD2 LYS1141 HD2 LYS1141 -2.955 -3.060 6.487 243 HD3 LYS1141 HD1 LYS1141 -2.064 -3.900 5.218 244 HE2 LYS1141 HE2 LYS1141 -0.548 -2.940 6.850 245 HE3 LYS1141 HE1 LYS1141 -0.339 -2.176 5.281 246 HZ1 LYS1141 HZ1 LYS1141 -1.611 -0.293 6.044 247 HZ2 LYS1141 HZ2 LYS1141 -0.333 -0.578 7.109 248 HZ3 LYS1141 HZ3 LYS1141 -1.902 -1.038 7.533 249 H ASN1142 HN ASN1142 -3.516 0.016 2.426 250 HA ASN1142 HA ASN1142 -4.580 1.752 4.476 251 HB2 ASN1142 HB2 ASN1142 -2.893 3.356 3.706 252 HB3 ASN1142 HB1 ASN1142 -2.180 1.781 4.001 253 HD21 ASN1142 HD21 ASN1142 -1.293 0.648 2.334 254 HD22 ASN1142 HD22 ASN1142 -1.114 1.292 0.738 255 H CYS1143 HN CYS1143 -5.615 0.912 1.495 256 HA CYS1143 HA CYS1143 -6.659 3.588 0.882 257 HB2 CYS1143 HB2 CYS1143 -5.215 2.447 -0.824 258 HB3 CYS1143 HB1 CYS1143 -6.456 1.210 -0.968 259 H ASN1144 HN ASN1144 -8.201 3.059 2.652 260 HA ASN1144 HA ASN1144 -10.181 1.055 2.264 261 HB2 ASN1144 HB2 ASN1144 -11.404 2.193 4.068 262 HB3 ASN1144 HB1 ASN1144 -9.713 1.963 4.495 263 HD21 ASN1144 HD21 ASN1144 -8.386 3.740 4.728 264 HD22 ASN1144 HD22 ASN1144 -8.991 5.362 4.762 265 H SER1145 HN SER1145 -12.311 1.277 1.589 266 HA SER1145 HA SER1145 -12.877 3.681 -0.011 267 HB2 SER1145 HB2 SER1145 -14.342 2.194 -1.379 268 HB3 SER1145 HB1 SER1145 -12.649 1.705 -1.420 269 HG SER1145 HG SER1145 -13.092 -0.025 -0.181 270 H THR1146 HN THR1146 -15.354 3.950 -0.295 271 HA THR1146 HA THR1146 -16.464 4.219 2.339 272 HB THR1146 HB THR1146 -18.462 5.129 0.974 273 HG1 THR1146 HG1 THR1146 -16.628 5.521 -1.104 274 HG21 THR1146 HG21 THR1146 -16.893 6.571 2.151 275 HG22 THR1146 HG22 THR1146 -17.298 7.266 0.582 276 HG23 THR1146 HG23 THR1146 -15.752 6.451 0.812 277 H GLU1147 HN GLU1147 -16.242 1.676 2.335 278 HA GLU1147 HA GLU1147 -18.497 0.302 1.154 279 HB2 GLU1147 HB2 GLU1147 -17.557 -1.695 2.249 280 HB3 GLU1147 HB1 GLU1147 -16.356 -0.841 1.291 281 HG2 GLU1147 HG2 GLU1147 -15.458 0.177 3.322 282 HG3 GLU1147 HG1 GLU1147 -16.657 -0.689 4.282 283 H THR1148 HN THR1148 -17.802 1.949 4.048 284 HA THR1148 HA THR1148 -19.540 0.522 5.786 285 HB THR1148 HB THR1148 -18.569 3.368 6.073 286 HG1 THR1148 HG1 THR1148 -17.396 0.896 6.908 287 HG21 THR1148 HG21 THR1148 -20.389 2.787 7.602 288 HG22 THR1148 HG22 THR1148 -18.868 2.954 8.479 289 HG23 THR1148 HG23 THR1148 -19.508 1.351 8.121
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