NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
475257 | 2kza | 17001 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 93 H CYS 93 9.187 21.130 -20.788 2 HA CYS 93 HA CYS 93 7.941 21.456 -18.310 3 HB2 CYS 93 2HB CYS 93 8.645 19.187 -17.328 4 HB3 CYS 93 3HB CYS 93 7.178 19.233 -18.300 5 H VAL 94 H VAL 94 9.655 20.622 -16.486 6 HA VAL 94 HA VAL 94 11.978 22.191 -16.962 7 HB VAL 94 HB VAL 94 11.059 20.462 -14.696 8 HG11 VAL 94 1HG1 VAL 94 13.141 21.179 -13.477 9 HG12 VAL 94 2HG1 VAL 94 13.380 19.959 -14.728 10 HG13 VAL 94 3HG1 VAL 94 13.805 21.642 -15.044 11 HG21 VAL 94 3HG2 VAL 94 10.097 22.529 -14.466 12 HG22 VAL 94 1HG2 VAL 94 11.600 22.783 -13.576 13 HG23 VAL 94 2HG2 VAL 94 11.448 23.364 -15.234 14 H ALA 95 H ALA 95 13.737 21.600 -18.030 15 HA ALA 95 HA ALA 95 14.228 18.958 -18.903 16 HB1 ALA 95 1HB ALA 95 16.644 20.380 -19.050 17 HB2 ALA 95 2HB ALA 95 15.464 20.115 -20.334 18 HB3 ALA 95 3HB ALA 95 15.358 21.556 -19.323 19 H THR 96 H THR 96 16.421 20.915 -16.892 20 HA THR 96 HA THR 96 16.647 18.882 -14.882 21 HB THR 96 HB THR 96 19.190 19.402 -16.401 22 HG1 THR 96 HG1 THR 96 18.411 18.197 -17.951 23 HG21 THR 96 3HG2 THR 96 18.562 18.097 -14.003 24 HG22 THR 96 1HG2 THR 96 20.096 18.057 -14.869 25 HG23 THR 96 2HG2 THR 96 18.882 16.814 -15.169 26 H ARG 97 H ARG 97 17.754 19.583 -13.043 27 HA ARG 97 HA ARG 97 18.146 21.253 -11.507 28 HB2 ARG 97 2HB ARG 97 20.312 22.255 -11.800 29 HB3 ARG 97 3HB ARG 97 20.374 20.614 -12.426 30 HG2 ARG 97 2HG ARG 97 19.725 22.750 -14.362 31 HG3 ARG 97 3HG ARG 97 21.372 22.712 -13.732 32 HD2 ARG 97 2HD ARG 97 21.851 20.712 -14.721 33 HD3 ARG 97 3HD ARG 97 20.181 20.151 -14.644 34 HE ARG 97 HE ARG 97 20.031 22.135 -16.446 35 HH11 ARG 97 1HH1 ARG 97 22.195 19.427 -16.130 36 HH12 ARG 97 2HH1 ARG 97 22.464 19.275 -17.834 37 HH21 ARG 97 1HH2 ARG 97 20.377 21.945 -18.693 38 HH22 ARG 97 2HH2 ARG 97 21.430 20.708 -19.291 39 H ASN 98 H ASN 98 16.043 22.014 -13.176 40 HA ASN 98 HA ASN 98 16.565 24.869 -13.659 41 HB2 ASN 98 2HB ASN 98 15.587 23.152 -15.454 42 HB3 ASN 98 3HB ASN 98 14.074 23.576 -14.659 43 HD21 ASN 98 1HD2 ASN 98 14.405 24.169 -17.271 44 HD22 ASN 98 2HD2 ASN 98 14.575 25.876 -17.485 45 H SER 99 H SER 99 13.749 22.858 -12.781 46 HA SER 99 HA SER 99 13.321 24.376 -10.364 47 HB2 SER 99 2HB SER 99 12.295 25.808 -12.136 48 HB3 SER 99 3HB SER 99 11.216 24.473 -12.539 49 HG SER 99 HG SER 99 10.012 25.045 -10.927 50 H CYS 100 H CYS 100 11.909 23.371 -8.925 51 HA CYS 100 HA CYS 100 11.304 20.587 -9.594 52 HB2 CYS 100 2HB CYS 100 12.612 20.941 -7.571 53 HB3 CYS 100 3HB CYS 100 11.381 22.024 -6.933 54 H LYS 101 H LYS 101 9.636 22.502 -7.169 55 HA LYS 101 HA LYS 101 7.281 22.072 -6.818 56 HB2 LYS 101 2HB LYS 101 7.420 24.325 -8.816 57 HB3 LYS 101 3HB LYS 101 6.309 24.145 -7.466 58 HG2 LYS 101 2HG LYS 101 7.707 25.616 -6.497 59 HG3 LYS 101 3HG LYS 101 8.629 24.156 -6.126 60 HD2 LYS 101 2HD LYS 101 9.626 24.678 -8.551 61 HD3 LYS 101 3HD LYS 101 9.187 26.320 -8.073 62 HE2 LYS 101 2HE LYS 101 10.447 25.917 -5.934 63 HE3 LYS 101 3HE LYS 101 11.031 24.413 -6.645 64 HZ1 LYS 101 3HZ LYS 101 11.908 27.095 -7.098 65 HZ2 LYS 101 1HZ LYS 101 11.539 26.302 -8.548 66 HZ3 LYS 101 2HZ LYS 101 12.670 25.634 -7.483 67 HA PRO 102 HA PRO 102 6.320 19.766 -10.709 68 HB2 PRO 102 2HB PRO 102 5.264 17.615 -9.434 69 HB3 PRO 102 3HB PRO 102 6.993 17.788 -9.754 70 HG2 PRO 102 2HG PRO 102 5.469 18.333 -7.235 71 HG3 PRO 102 3HG PRO 102 7.033 17.524 -7.443 72 HD2 PRO 102 2HD PRO 102 6.821 20.107 -6.656 73 HD3 PRO 102 3HD PRO 102 8.180 19.515 -7.634 74 H ALA 103 H ALA 103 4.770 21.686 -10.689 75 HA ALA 103 HA ALA 103 2.269 21.540 -9.407 76 HB1 ALA 103 1HB ALA 103 1.565 23.143 -11.258 77 HB2 ALA 103 2HB ALA 103 2.903 23.647 -10.226 78 HB3 ALA 103 3HB ALA 103 3.225 23.016 -11.841 79 H ALA 104 H ALA 104 2.659 21.318 -12.931 80 HA ALA 104 HA ALA 104 0.760 19.063 -12.918 81 HB1 ALA 104 1HB ALA 104 0.033 20.007 -15.191 82 HB2 ALA 104 2HB ALA 104 -0.525 20.830 -13.733 83 HB3 ALA 104 3HB ALA 104 0.814 21.498 -14.666 84 H ALA 105 H ALA 105 3.543 20.587 -14.416 85 HA ALA 105 HA ALA 105 4.708 18.133 -15.161 86 HB1 ALA 105 1HB ALA 105 3.196 17.886 -16.917 87 HB2 ALA 105 2HB ALA 105 3.224 19.605 -17.308 88 HB3 ALA 105 3HB ALA 105 4.618 18.593 -17.684 89 H ALA 106 H ALA 106 6.108 19.658 -13.827 90 HA ALA 106 HA ALA 106 7.879 21.092 -15.673 91 HB1 ALA 106 1HB ALA 106 8.179 22.860 -13.901 92 HB2 ALA 106 2HB ALA 106 6.625 22.869 -14.736 93 HB3 ALA 106 3HB ALA 106 6.749 22.195 -13.111 94 H CYS 107 H CYS 107 8.382 18.560 -14.841 95 HA CYS 107 HA CYS 107 10.910 18.796 -13.613 96 HB2 CYS 107 2HB CYS 107 9.037 18.933 -11.699 97 HB3 CYS 107 3HB CYS 107 9.162 17.182 -11.832 98 H CYS 108 H CYS 108 9.587 17.580 -15.903 99 HA CYS 108 HA CYS 108 9.314 14.807 -15.669 100 HB2 CYS 108 2HB CYS 108 9.817 14.798 -18.147 101 HB3 CYS 108 3HB CYS 108 8.510 15.868 -17.648 102 H ASP 109 H ASP 109 10.800 13.477 -14.873 103 HA ASP 109 HA ASP 109 13.232 12.962 -16.147 104 HB2 ASP 109 2HB ASP 109 13.345 15.135 -14.255 105 HB3 ASP 109 3HB ASP 109 14.349 13.797 -13.703 106 HA PRO 110 HA PRO 110 11.667 9.660 -13.373 107 HB2 PRO 110 2HB PRO 110 12.161 7.657 -15.139 108 HB3 PRO 110 3HB PRO 110 10.685 8.628 -15.175 109 HG2 PRO 110 2HG PRO 110 13.160 8.884 -16.839 110 HG3 PRO 110 3HG PRO 110 11.462 8.992 -17.337 111 HD2 PRO 110 2HD PRO 110 13.006 11.180 -16.936 112 HD3 PRO 110 3HD PRO 110 11.259 11.172 -16.616 113 H CYS 111 H CYS 111 14.651 10.535 -14.671 114 HA CYS 111 HA CYS 111 16.044 8.371 -13.241 115 HB2 CYS 111 2HB CYS 111 16.494 9.631 -15.794 116 HB3 CYS 111 3HB CYS 111 17.908 9.832 -14.764 117 H ALA 112 H ALA 112 15.029 11.429 -12.765 118 HA ALA 112 HA ALA 112 17.330 12.071 -11.038 119 HB1 ALA 112 1HB ALA 112 16.637 13.553 -13.178 120 HB2 ALA 112 2HB ALA 112 15.645 14.315 -11.934 121 HB3 ALA 112 3HB ALA 112 17.394 14.216 -11.729 122 H SER 113 H SER 113 16.392 14.063 -9.537 123 HA SER 113 HA SER 113 13.763 13.417 -8.500 124 HB2 SER 113 2HB SER 113 15.613 11.880 -7.444 125 HB3 SER 113 3HB SER 113 16.004 13.325 -6.510 126 HG SER 113 HG SER 113 14.495 12.188 -5.354 127 H CYS 114 H CYS 114 13.036 14.938 -6.868 128 HA CYS 114 HA CYS 114 13.814 17.600 -7.476 129 HB2 CYS 114 2HB CYS 114 11.514 17.063 -6.867 130 HB3 CYS 114 3HB CYS 114 12.038 16.529 -5.273 131 H TYR 115 H TYR 115 15.874 18.109 -6.918 132 HA TYR 115 HA TYR 115 16.745 17.603 -4.165 133 HB2 TYR 115 2HB TYR 115 18.418 16.861 -5.615 134 HB3 TYR 115 3HB TYR 115 18.192 18.210 -6.723 135 HD1 TYR 115 HD1 TYR 115 19.554 17.264 -3.413 136 HD2 TYR 115 HD2 TYR 115 19.441 20.207 -6.485 137 HE1 TYR 115 HE1 TYR 115 21.422 18.449 -2.338 138 HE2 TYR 115 HE2 TYR 115 21.310 21.400 -5.418 139 HH TYR 115 HH TYR 115 23.021 21.141 -3.881 140 H CYS 116 H CYS 116 17.431 19.237 -2.802 141 HA CYS 116 HA CYS 116 16.807 21.981 -3.681 142 HB2 CYS 116 2HB CYS 116 16.437 20.817 -0.913 143 HB3 CYS 116 3HB CYS 116 16.073 22.470 -1.396 144 H ARG 117 H ARG 117 18.009 23.684 -2.610 145 HA ARG 117 HA ARG 117 20.671 22.775 -1.734 146 HB2 ARG 117 2HB ARG 117 21.222 25.252 -2.531 147 HB3 ARG 117 3HB ARG 117 21.218 23.893 -3.649 148 HG2 ARG 117 2HG ARG 117 20.060 25.743 -4.643 149 HG3 ARG 117 3HG ARG 117 18.900 24.465 -4.279 150 HD2 ARG 117 2HD ARG 117 17.866 25.676 -2.654 151 HD3 ARG 117 3HD ARG 117 19.341 26.530 -2.201 152 HE ARG 117 HE ARG 117 17.372 27.386 -4.082 153 HH11 ARG 117 1HH1 ARG 117 20.766 27.513 -3.315 154 HH12 ARG 117 2HH1 ARG 117 21.029 29.013 -4.141 155 HH21 ARG 117 1HH2 ARG 117 17.707 29.361 -5.171 156 HH22 ARG 117 2HH2 ARG 117 19.288 30.064 -5.195 157 H PHE 118 H PHE 118 21.736 25.044 -0.749 158 HA PHE 118 HA PHE 118 20.996 25.199 1.845 159 HB2 PHE 118 2HB PHE 118 22.062 27.428 0.104 160 HB3 PHE 118 3HB PHE 118 21.962 27.527 1.859 161 HD1 PHE 118 HD2 PHE 118 23.305 25.961 3.253 162 HD2 PHE 118 HD1 PHE 118 23.813 26.266 -0.961 163 HE1 PHE 118 HE2 PHE 118 25.500 24.866 3.442 164 HE2 PHE 118 HE1 PHE 118 26.008 25.170 -0.780 165 HZ PHE 118 HZ PHE 118 26.856 24.470 1.423 166 H PHE 119 H PHE 119 19.870 27.502 -0.636 167 HA PHE 119 HA PHE 119 18.139 28.997 0.878 168 HB2 PHE 119 2HB PHE 119 18.766 29.001 -1.720 169 HB3 PHE 119 3HB PHE 119 17.193 28.218 -1.834 170 HD1 PHE 119 HD2 PHE 119 18.568 31.036 0.194 171 HD2 PHE 119 HD1 PHE 119 15.565 29.679 -2.499 172 HE1 PHE 119 HE2 PHE 119 17.471 33.234 0.316 173 HE2 PHE 119 HE1 PHE 119 14.463 31.877 -2.382 174 HZ PHE 119 HZ PHE 119 15.415 33.657 -0.973 175 H ARG 120 H ARG 120 17.450 25.925 -0.759 176 HA ARG 120 HA ARG 120 15.835 24.356 -0.436 177 HB2 ARG 120 2HB ARG 120 16.619 24.836 2.006 178 HB3 ARG 120 3HB ARG 120 15.069 25.654 2.156 179 HG2 ARG 120 2HG ARG 120 14.649 23.510 2.943 180 HG3 ARG 120 3HG ARG 120 14.050 23.471 1.284 181 HD2 ARG 120 2HD ARG 120 15.257 21.509 1.396 182 HD3 ARG 120 3HD ARG 120 16.446 22.626 0.726 183 HE ARG 120 HE ARG 120 16.725 22.691 3.489 184 HH11 ARG 120 1HH1 ARG 120 17.079 20.393 0.896 185 HH12 ARG 120 2HH1 ARG 120 18.309 19.477 1.702 186 HH21 ARG 120 1HH2 ARG 120 18.343 21.491 4.560 187 HH22 ARG 120 2HH2 ARG 120 19.027 20.102 3.786 188 H SER 121 H SER 121 15.268 27.194 -1.436 189 HA SER 121 HA SER 121 12.335 27.074 -1.157 190 HB2 SER 121 2HB SER 121 14.026 29.204 -0.537 191 HB3 SER 121 3HB SER 121 13.339 29.634 -2.103 192 HG SER 121 HG SER 121 11.699 28.686 -0.017 193 H ALA 122 H ALA 122 15.045 27.171 -3.297 194 HA ALA 122 HA ALA 122 13.209 27.166 -5.605 195 HB1 ALA 122 1HB ALA 122 14.429 29.092 -5.952 196 HB2 ALA 122 2HB ALA 122 15.900 28.413 -5.255 197 HB3 ALA 122 3HB ALA 122 15.368 27.903 -6.856 198 H CYS 123 H CYS 123 13.239 24.794 -4.795 199 HA CYS 123 HA CYS 123 15.538 23.213 -5.356 200 HB2 CYS 123 2HB CYS 123 12.675 22.260 -5.223 201 HB3 CYS 123 3HB CYS 123 14.132 21.312 -4.942 202 H TYR 124 H TYR 124 15.698 21.568 -7.019 203 HA TYR 124 HA TYR 124 14.072 21.955 -9.403 204 HB2 TYR 124 2HB TYR 124 16.363 21.967 -10.707 205 HB3 TYR 124 3HB TYR 124 15.675 23.465 -10.088 206 HD1 TYR 124 HD2 TYR 124 18.264 20.899 -9.530 207 HD2 TYR 124 HD1 TYR 124 16.765 24.705 -8.361 208 HE1 TYR 124 HE2 TYR 124 20.332 21.319 -8.267 209 HE2 TYR 124 HE1 TYR 124 18.829 25.136 -7.095 210 HH TYR 124 HH TYR 124 21.132 24.404 -7.026 211 H CYS 125 H CYS 125 14.432 20.283 -11.028 212 HA CYS 125 HA CYS 125 14.727 17.715 -9.823 213 HB2 CYS 125 2HB CYS 125 13.875 18.791 -12.410 214 HB3 CYS 125 3HB CYS 125 14.730 17.258 -12.539 215 H ARG 126 H ARG 126 16.790 17.375 -9.097 216 HA ARG 126 HA ARG 126 18.960 17.540 -11.076 217 HB2 ARG 126 2HB ARG 126 19.167 18.815 -8.903 218 HB3 ARG 126 3HB ARG 126 19.241 17.262 -8.083 219 HG2 ARG 126 2HG ARG 126 21.342 16.809 -8.824 220 HG3 ARG 126 3HG ARG 126 21.135 17.731 -10.315 221 HD2 ARG 126 2HD ARG 126 21.030 19.322 -7.848 222 HD3 ARG 126 3HD ARG 126 22.585 18.557 -8.170 223 HE ARG 126 HE ARG 126 21.496 19.924 -10.446 224 HH11 ARG 126 1HH1 ARG 126 23.363 20.276 -7.528 225 HH12 ARG 126 2HH1 ARG 126 24.202 21.688 -8.081 226 HH21 ARG 126 1HH2 ARG 126 22.594 21.782 -11.185 227 HH22 ARG 126 2HH2 ARG 126 23.763 22.545 -10.161 228 H VAL 127 H VAL 127 20.038 15.757 -11.704 229 HA VAL 127 HA VAL 127 18.953 13.188 -11.022 230 HB VAL 127 HB VAL 127 20.787 12.330 -12.536 231 HG11 VAL 127 1HG1 VAL 127 18.688 12.553 -13.530 232 HG12 VAL 127 2HG1 VAL 127 18.728 14.315 -13.439 233 HG13 VAL 127 3HG1 VAL 127 19.755 13.467 -14.596 234 HG21 VAL 127 3HG2 VAL 127 21.315 14.854 -13.800 235 HG22 VAL 127 1HG2 VAL 127 21.824 14.900 -12.112 236 HG23 VAL 127 2HG2 VAL 127 22.451 13.652 -13.188 237 H LEU 128 H LEU 128 19.420 12.433 -9.040 238 HA LEU 128 HA LEU 128 22.147 12.690 -8.010 239 HB2 LEU 128 2HB LEU 128 19.711 11.604 -6.611 240 HB3 LEU 128 3HB LEU 128 21.250 12.047 -5.877 241 HG LEU 128 HG LEU 128 19.887 14.231 -7.296 242 HD11 LEU 128 1HD1 LEU 128 18.404 12.582 -5.468 243 HD12 LEU 128 2HD1 LEU 128 17.878 13.992 -6.388 244 HD13 LEU 128 3HD1 LEU 128 18.624 14.202 -4.803 245 HD21 LEU 128 3HD2 LEU 128 20.408 15.100 -4.804 246 HD22 LEU 128 1HD2 LEU 128 21.601 15.084 -6.103 247 HD23 LEU 128 2HD2 LEU 128 21.572 13.777 -4.918 248 H SER 129 H SER 129 21.439 10.852 -10.190 249 HA SER 129 HA SER 129 21.916 8.258 -8.889 250 HB2 SER 129 2HB SER 129 20.104 7.844 -10.241 251 HB3 SER 129 3HB SER 129 20.566 9.073 -11.419 252 HG SER 129 HG SER 129 20.984 7.171 -12.405 253 H LEU 130 H LEU 130 23.035 10.355 -11.514 254 HA LEU 130 HA LEU 130 25.013 10.497 -12.625 255 HB2 LEU 130 2HB LEU 130 26.170 8.999 -10.283 256 HB3 LEU 130 3HB LEU 130 27.024 10.056 -11.404 257 HG LEU 130 HG LEU 130 24.846 11.115 -9.634 258 HD11 LEU 130 1HD1 LEU 130 27.729 10.631 -8.928 259 HD12 LEU 130 2HD1 LEU 130 26.289 10.096 -8.062 260 HD13 LEU 130 3HD1 LEU 130 26.714 11.807 -8.092 261 HD21 LEU 130 3HD2 LEU 130 26.958 12.199 -11.393 262 HD22 LEU 130 1HD2 LEU 130 26.667 13.064 -9.884 263 HD23 LEU 130 2HD2 LEU 130 25.348 12.823 -11.029 264 H ASN 131 H ASN 131 23.286 8.022 -12.784 265 HA ASN 131 HA ASN 131 25.322 6.243 -13.955 266 HB2 ASN 131 2HB ASN 131 22.783 5.557 -12.478 267 HB3 ASN 131 3HB ASN 131 23.606 4.398 -13.519 268 HD21 ASN 131 1HD2 ASN 131 23.290 5.446 -10.427 269 HD22 ASN 131 2HD2 ASN 131 24.780 4.867 -9.770 270 H CYS 132 H CYS 132 22.147 7.692 -14.252 271 HA CYS 132 HA CYS 132 21.211 6.409 -16.532 272 HB2 CYS 132 2HB CYS 132 20.208 8.325 -14.948 273 HB3 CYS 132 3HB CYS 132 20.717 9.332 -16.299 Start of MODEL 2 1 H CYS 93 H CYS 93 9.165 21.446 -20.955 2 HA CYS 93 HA CYS 93 7.888 21.406 -18.467 3 HB2 CYS 93 2HB CYS 93 8.592 19.022 -17.823 4 HB3 CYS 93 3HB CYS 93 7.140 19.202 -18.802 5 H VAL 94 H VAL 94 9.498 20.648 -16.687 6 HA VAL 94 HA VAL 94 11.914 22.100 -17.090 7 HB VAL 94 HB VAL 94 10.791 20.499 -14.823 8 HG11 VAL 94 1HG1 VAL 94 12.920 21.313 -13.579 9 HG12 VAL 94 2HG1 VAL 94 12.991 19.836 -14.542 10 HG13 VAL 94 3HG1 VAL 94 13.636 21.344 -15.190 11 HG21 VAL 94 3HG2 VAL 94 9.986 22.732 -14.987 12 HG22 VAL 94 1HG2 VAL 94 11.148 22.699 -13.661 13 HG23 VAL 94 2HG2 VAL 94 11.613 23.369 -15.225 14 H ALA 95 H ALA 95 13.724 21.400 -17.993 15 HA ALA 95 HA ALA 95 14.109 18.676 -18.728 16 HB1 ALA 95 1HB ALA 95 16.527 19.712 -19.176 17 HB2 ALA 95 2HB ALA 95 15.156 19.989 -20.251 18 HB3 ALA 95 3HB ALA 95 15.602 21.209 -19.059 19 H THR 96 H THR 96 16.234 20.751 -16.751 20 HA THR 96 HA THR 96 16.423 18.798 -14.658 21 HB THR 96 HB THR 96 18.982 19.317 -16.163 22 HG1 THR 96 HG1 THR 96 18.328 17.891 -17.571 23 HG21 THR 96 3HG2 THR 96 19.801 17.418 -14.888 24 HG22 THR 96 1HG2 THR 96 18.209 17.187 -14.166 25 HG23 THR 96 2HG2 THR 96 19.143 18.636 -13.795 26 H ARG 97 H ARG 97 17.464 19.585 -12.807 27 HA ARG 97 HA ARG 97 17.756 21.316 -11.317 28 HB2 ARG 97 2HB ARG 97 19.900 22.379 -11.581 29 HB3 ARG 97 3HB ARG 97 20.029 20.715 -12.135 30 HG2 ARG 97 2HG ARG 97 19.389 22.760 -14.173 31 HG3 ARG 97 3HG ARG 97 21.019 22.774 -13.497 32 HD2 ARG 97 2HD ARG 97 20.487 20.092 -14.007 33 HD3 ARG 97 3HD ARG 97 19.817 20.950 -15.394 34 HE ARG 97 HE ARG 97 21.948 21.326 -16.096 35 HH11 ARG 97 1HH1 ARG 97 22.010 20.749 -12.664 36 HH12 ARG 97 2HH1 ARG 97 23.738 20.810 -12.553 37 HH21 ARG 97 1HH2 ARG 97 24.224 21.409 -15.963 38 HH22 ARG 97 2HH2 ARG 97 24.996 21.186 -14.430 39 H ASN 98 H ASN 98 15.681 21.962 -13.053 40 HA ASN 98 HA ASN 98 16.147 24.780 -13.734 41 HB2 ASN 98 2HB ASN 98 15.093 22.955 -15.336 42 HB3 ASN 98 3HB ASN 98 13.620 23.360 -14.460 43 HD21 ASN 98 1HD2 ASN 98 14.366 23.802 -17.259 44 HD22 ASN 98 2HD2 ASN 98 14.196 25.500 -17.527 45 H SER 99 H SER 99 13.366 22.888 -12.546 46 HA SER 99 HA SER 99 13.092 24.607 -10.238 47 HB2 SER 99 2HB SER 99 11.885 26.044 -11.640 48 HB3 SER 99 3HB SER 99 11.179 24.712 -12.556 49 HG SER 99 HG SER 99 9.590 25.438 -11.220 50 H CYS 100 H CYS 100 11.868 23.700 -8.610 51 HA CYS 100 HA CYS 100 11.211 20.882 -8.990 52 HB2 CYS 100 2HB CYS 100 12.155 22.513 -6.787 53 HB3 CYS 100 3HB CYS 100 10.751 21.562 -6.315 54 H LYS 101 H LYS 101 9.328 20.462 -7.055 55 HA LYS 101 HA LYS 101 7.084 20.456 -6.686 56 HB2 LYS 101 2HB LYS 101 7.307 23.341 -7.565 57 HB3 LYS 101 3HB LYS 101 5.892 22.627 -6.802 58 HG2 LYS 101 2HG LYS 101 6.797 23.417 -4.916 59 HG3 LYS 101 3HG LYS 101 7.821 21.982 -5.012 60 HD2 LYS 101 2HD LYS 101 9.479 23.338 -6.290 61 HD3 LYS 101 3HD LYS 101 8.479 24.761 -5.987 62 HE2 LYS 101 2HE LYS 101 9.552 23.010 -3.786 63 HE3 LYS 101 3HE LYS 101 10.428 24.406 -4.413 64 HZ1 LYS 101 3HZ LYS 101 7.727 25.055 -3.774 65 HZ2 LYS 101 1HZ LYS 101 9.161 25.776 -3.237 66 HZ3 LYS 101 2HZ LYS 101 8.540 24.425 -2.431 67 HA PRO 102 HA PRO 102 6.364 19.778 -11.213 68 HB2 PRO 102 2HB PRO 102 5.576 17.195 -10.931 69 HB3 PRO 102 3HB PRO 102 7.271 17.669 -11.101 70 HG2 PRO 102 2HG PRO 102 5.730 16.997 -8.623 71 HG3 PRO 102 3HG PRO 102 7.373 16.514 -9.085 72 HD2 PRO 102 2HD PRO 102 6.883 18.529 -7.344 73 HD3 PRO 102 3HD PRO 102 8.284 18.528 -8.434 74 H ALA 103 H ALA 103 4.595 21.309 -10.749 75 HA ALA 103 HA ALA 103 2.207 20.768 -9.506 76 HB1 ALA 103 1HB ALA 103 1.284 22.270 -11.496 77 HB2 ALA 103 2HB ALA 103 2.274 22.932 -10.195 78 HB3 ALA 103 3HB ALA 103 3.010 22.533 -11.747 79 H ALA 104 H ALA 104 2.910 20.245 -12.966 80 HA ALA 104 HA ALA 104 1.107 17.949 -12.947 81 HB1 ALA 104 1HB ALA 104 0.647 20.467 -14.449 82 HB2 ALA 104 2HB ALA 104 0.270 18.944 -15.256 83 HB3 ALA 104 3HB ALA 104 -0.511 19.349 -13.727 84 H ALA 105 H ALA 105 3.224 19.970 -14.974 85 HA ALA 105 HA ALA 105 4.687 17.599 -15.795 86 HB1 ALA 105 1HB ALA 105 3.287 17.434 -17.591 87 HB2 ALA 105 2HB ALA 105 2.942 19.164 -17.624 88 HB3 ALA 105 3HB ALA 105 4.479 18.558 -18.244 89 H ALA 106 H ALA 106 5.932 19.159 -14.237 90 HA ALA 106 HA ALA 106 7.690 20.771 -15.944 91 HB1 ALA 106 1HB ALA 106 7.703 22.627 -14.497 92 HB2 ALA 106 2HB ALA 106 6.003 22.211 -14.711 93 HB3 ALA 106 3HB ALA 106 6.844 21.750 -13.232 94 H CYS 107 H CYS 107 8.607 18.436 -15.490 95 HA CYS 107 HA CYS 107 10.931 18.729 -13.981 96 HB2 CYS 107 2HB CYS 107 8.753 18.210 -12.321 97 HB3 CYS 107 3HB CYS 107 9.547 16.649 -12.497 98 H CYS 108 H CYS 108 10.027 17.723 -16.511 99 HA CYS 108 HA CYS 108 9.908 14.976 -16.764 100 HB2 CYS 108 2HB CYS 108 11.035 17.116 -18.552 101 HB3 CYS 108 3HB CYS 108 11.089 15.420 -19.022 102 H ASP 109 H ASP 109 11.224 13.708 -15.570 103 HA ASP 109 HA ASP 109 13.830 13.176 -16.417 104 HB2 ASP 109 2HB ASP 109 13.864 15.473 -14.952 105 HB3 ASP 109 3HB ASP 109 14.145 14.269 -13.697 106 HA PRO 110 HA PRO 110 11.767 9.938 -13.877 107 HB2 PRO 110 2HB PRO 110 12.377 7.915 -15.581 108 HB3 PRO 110 3HB PRO 110 10.955 8.945 -15.783 109 HG2 PRO 110 2HG PRO 110 13.614 9.095 -17.151 110 HG3 PRO 110 3HG PRO 110 11.989 9.272 -17.840 111 HD2 PRO 110 2HD PRO 110 13.565 11.396 -17.259 112 HD3 PRO 110 3HD PRO 110 11.795 11.460 -17.141 113 H CYS 111 H CYS 111 14.913 10.689 -14.820 114 HA CYS 111 HA CYS 111 16.037 8.485 -13.223 115 HB2 CYS 111 2HB CYS 111 16.998 9.950 -15.621 116 HB3 CYS 111 3HB CYS 111 18.213 9.488 -14.434 117 H ALA 112 H ALA 112 15.077 11.537 -12.835 118 HA ALA 112 HA ALA 112 17.268 12.166 -10.965 119 HB1 ALA 112 1HB ALA 112 16.875 13.651 -13.094 120 HB2 ALA 112 2HB ALA 112 15.589 14.346 -12.106 121 HB3 ALA 112 3HB ALA 112 17.258 14.386 -11.536 122 H SER 113 H SER 113 16.295 14.095 -9.461 123 HA SER 113 HA SER 113 13.580 13.536 -8.622 124 HB2 SER 113 2HB SER 113 15.282 11.858 -7.522 125 HB3 SER 113 3HB SER 113 15.666 13.236 -6.491 126 HG SER 113 HG SER 113 14.032 12.219 -5.464 127 H CYS 114 H CYS 114 12.902 14.967 -6.824 128 HA CYS 114 HA CYS 114 13.713 17.635 -7.321 129 HB2 CYS 114 2HB CYS 114 11.424 16.918 -6.574 130 HB3 CYS 114 3HB CYS 114 12.098 16.624 -4.974 131 H TYR 115 H TYR 115 15.671 18.334 -6.747 132 HA TYR 115 HA TYR 115 16.672 17.641 -4.065 133 HB2 TYR 115 2HB TYR 115 18.246 16.840 -5.620 134 HB3 TYR 115 3HB TYR 115 18.093 18.264 -6.644 135 HD1 TYR 115 HD1 TYR 115 19.454 17.023 -3.436 136 HD2 TYR 115 HD2 TYR 115 19.449 20.178 -6.291 137 HE1 TYR 115 HE1 TYR 115 21.407 18.024 -2.325 138 HE2 TYR 115 HE2 TYR 115 21.403 21.186 -5.189 139 HH TYR 115 HH TYR 115 23.034 19.575 -2.505 140 H CYS 116 H CYS 116 17.510 19.248 -2.737 141 HA CYS 116 HA CYS 116 16.968 22.017 -3.588 142 HB2 CYS 116 2HB CYS 116 16.538 20.829 -0.838 143 HB3 CYS 116 3HB CYS 116 16.307 22.521 -1.266 144 H ARG 117 H ARG 117 18.245 23.659 -2.488 145 HA ARG 117 HA ARG 117 20.866 22.623 -1.625 146 HB2 ARG 117 2HB ARG 117 21.557 25.046 -2.456 147 HB3 ARG 117 3HB ARG 117 21.459 23.683 -3.562 148 HG2 ARG 117 2HG ARG 117 20.408 25.568 -4.582 149 HG3 ARG 117 3HG ARG 117 19.157 24.399 -4.154 150 HD2 ARG 117 2HD ARG 117 18.263 25.737 -2.545 151 HD3 ARG 117 3HD ARG 117 19.813 26.478 -2.148 152 HE ARG 117 HE ARG 117 17.882 27.431 -4.028 153 HH11 ARG 117 1HH1 ARG 117 21.279 27.338 -3.275 154 HH12 ARG 117 2HH1 ARG 117 21.643 28.798 -4.133 155 HH21 ARG 117 1HH2 ARG 117 18.348 29.355 -5.162 156 HH22 ARG 117 2HH2 ARG 117 19.975 29.945 -5.205 157 H PHE 118 H PHE 118 22.048 24.843 -0.668 158 HA PHE 118 HA PHE 118 21.300 25.070 1.923 159 HB2 PHE 118 2HB PHE 118 22.710 26.950 0.077 160 HB3 PHE 118 3HB PHE 118 22.281 27.516 1.688 161 HD1 PHE 118 HD2 PHE 118 23.489 24.207 0.476 162 HD2 PHE 118 HD1 PHE 118 24.209 27.601 2.941 163 HE1 PHE 118 HE2 PHE 118 25.495 23.114 1.389 164 HE2 PHE 118 HE1 PHE 118 26.217 26.514 3.857 165 HZ PHE 118 HZ PHE 118 26.861 24.267 3.082 166 H PHE 119 H PHE 119 20.370 27.440 -0.578 167 HA PHE 119 HA PHE 119 18.721 29.051 0.896 168 HB2 PHE 119 2HB PHE 119 19.370 28.973 -1.700 169 HB3 PHE 119 3HB PHE 119 17.740 28.316 -1.813 170 HD1 PHE 119 HD1 PHE 119 19.415 31.080 0.061 171 HD2 PHE 119 HD2 PHE 119 16.147 29.853 -2.374 172 HE1 PHE 119 HE1 PHE 119 18.495 33.361 0.152 173 HE2 PHE 119 HE2 PHE 119 15.222 32.132 -2.288 174 HZ PHE 119 HZ PHE 119 16.397 33.889 -1.024 175 H ARG 120 H ARG 120 17.887 25.976 -0.649 176 HA ARG 120 HA ARG 120 16.167 24.524 -0.327 177 HB2 ARG 120 2HB ARG 120 16.469 25.885 2.264 178 HB3 ARG 120 3HB ARG 120 14.888 25.161 2.001 179 HG2 ARG 120 2HG ARG 120 17.493 23.686 1.699 180 HG3 ARG 120 3HG ARG 120 16.508 23.684 3.163 181 HD2 ARG 120 2HD ARG 120 15.304 22.929 0.531 182 HD3 ARG 120 3HD ARG 120 16.257 21.756 1.439 183 HE ARG 120 HE ARG 120 14.185 23.044 2.972 184 HH11 ARG 120 1HH1 ARG 120 14.992 20.380 0.881 185 HH12 ARG 120 2HH1 ARG 120 13.704 19.372 1.451 186 HH21 ARG 120 1HH2 ARG 120 12.485 21.726 3.731 187 HH22 ARG 120 2HH2 ARG 120 12.277 20.139 3.071 188 H SER 121 H SER 121 15.783 27.276 -1.516 189 HA SER 121 HA SER 121 12.846 27.357 -1.285 190 HB2 SER 121 2HB SER 121 14.572 29.400 -0.604 191 HB3 SER 121 3HB SER 121 14.093 29.827 -2.246 192 HG SER 121 HG SER 121 12.622 29.822 0.076 193 H ALA 122 H ALA 122 15.650 27.555 -3.371 194 HA ALA 122 HA ALA 122 13.893 27.550 -5.731 195 HB1 ALA 122 1HB ALA 122 15.821 29.277 -5.346 196 HB2 ALA 122 2HB ALA 122 16.839 27.962 -5.935 197 HB3 ALA 122 3HB ALA 122 15.540 28.593 -6.947 198 H CYS 123 H CYS 123 13.689 25.188 -4.786 199 HA CYS 123 HA CYS 123 15.828 23.392 -5.402 200 HB2 CYS 123 2HB CYS 123 12.911 22.726 -4.967 201 HB3 CYS 123 3HB CYS 123 14.282 21.631 -4.818 202 H TYR 124 H TYR 124 15.672 21.637 -6.973 203 HA TYR 124 HA TYR 124 13.865 21.955 -9.203 204 HB2 TYR 124 2HB TYR 124 15.969 21.997 -10.772 205 HB3 TYR 124 3HB TYR 124 15.337 23.496 -10.102 206 HD1 TYR 124 HD2 TYR 124 17.639 20.813 -8.869 207 HD2 TYR 124 HD1 TYR 124 17.001 24.969 -9.515 208 HE1 TYR 124 HE2 TYR 124 19.842 21.297 -7.888 209 HE2 TYR 124 HE1 TYR 124 19.203 25.465 -8.537 210 HH TYR 124 HH TYR 124 21.483 23.989 -8.295 211 H CYS 125 H CYS 125 14.218 20.261 -10.866 212 HA CYS 125 HA CYS 125 14.604 17.732 -9.618 213 HB2 CYS 125 2HB CYS 125 13.725 18.727 -12.243 214 HB3 CYS 125 3HB CYS 125 14.551 17.173 -12.297 215 H ARG 126 H ARG 126 16.677 17.417 -8.931 216 HA ARG 126 HA ARG 126 18.820 17.618 -10.933 217 HB2 ARG 126 2HB ARG 126 18.995 18.855 -8.712 218 HB3 ARG 126 3HB ARG 126 19.177 17.276 -7.960 219 HG2 ARG 126 2HG ARG 126 21.361 17.967 -8.229 220 HG3 ARG 126 3HG ARG 126 21.103 16.953 -9.650 221 HD2 ARG 126 2HD ARG 126 20.400 19.781 -10.005 222 HD3 ARG 126 3HD ARG 126 22.111 19.477 -9.705 223 HE ARG 126 HE ARG 126 20.620 18.812 -12.070 224 HH11 ARG 126 1HH1 ARG 126 23.408 18.040 -10.133 225 HH12 ARG 126 2HH1 ARG 126 24.288 17.333 -11.448 226 HH21 ARG 126 1HH2 ARG 126 21.768 17.885 -13.809 227 HH22 ARG 126 2HH2 ARG 126 23.355 17.246 -13.538 228 H VAL 127 H VAL 127 19.944 15.861 -11.571 229 HA VAL 127 HA VAL 127 18.878 13.272 -11.003 230 HB VAL 127 HB VAL 127 20.839 12.472 -12.393 231 HG11 VAL 127 1HG1 VAL 127 19.936 13.596 -14.499 232 HG12 VAL 127 2HG1 VAL 127 18.785 12.701 -13.505 233 HG13 VAL 127 3HG1 VAL 127 18.840 14.463 -13.424 234 HG21 VAL 127 3HG2 VAL 127 21.386 15.069 -13.528 235 HG22 VAL 127 1HG2 VAL 127 21.823 15.015 -11.820 236 HG23 VAL 127 2HG2 VAL 127 22.507 13.839 -12.943 237 H LEU 128 H LEU 128 19.182 12.580 -8.948 238 HA LEU 128 HA LEU 128 21.836 12.779 -7.743 239 HB2 LEU 128 2HB LEU 128 19.304 11.688 -6.530 240 HB3 LEU 128 3HB LEU 128 20.789 12.124 -5.686 241 HG LEU 128 HG LEU 128 19.519 14.316 -7.182 242 HD11 LEU 128 1HD1 LEU 128 17.463 14.097 -6.384 243 HD12 LEU 128 2HD1 LEU 128 18.117 14.251 -4.754 244 HD13 LEU 128 3HD1 LEU 128 17.922 12.655 -5.478 245 HD21 LEU 128 3HD2 LEU 128 19.889 15.168 -4.652 246 HD22 LEU 128 1HD2 LEU 128 21.150 15.175 -5.884 247 HD23 LEU 128 2HD2 LEU 128 21.067 13.856 -4.716 248 H SER 129 H SER 129 21.139 10.934 -9.987 249 HA SER 129 HA SER 129 21.562 8.338 -8.681 250 HB2 SER 129 2HB SER 129 19.679 8.530 -10.303 251 HB3 SER 129 3HB SER 129 20.849 8.903 -11.568 252 HG SER 129 HG SER 129 20.559 6.497 -10.106 253 H LEU 130 H LEU 130 22.831 10.388 -11.284 254 HA LEU 130 HA LEU 130 24.885 10.537 -12.247 255 HB2 LEU 130 2HB LEU 130 25.915 8.992 -9.881 256 HB3 LEU 130 3HB LEU 130 26.808 10.104 -10.916 257 HG LEU 130 HG LEU 130 24.521 11.065 -9.230 258 HD11 LEU 130 1HD1 LEU 130 26.142 9.826 -7.797 259 HD12 LEU 130 2HD1 LEU 130 26.010 11.544 -7.426 260 HD13 LEU 130 3HD1 LEU 130 27.395 10.944 -8.337 261 HD21 LEU 130 3HD2 LEU 130 26.681 12.235 -10.855 262 HD22 LEU 130 1HD2 LEU 130 26.368 13.029 -9.312 263 HD23 LEU 130 2HD2 LEU 130 25.068 12.851 -10.491 264 H ASN 131 H ASN 131 23.140 8.113 -12.573 265 HA ASN 131 HA ASN 131 25.219 6.294 -13.600 266 HB2 ASN 131 2HB ASN 131 23.870 5.395 -11.663 267 HB3 ASN 131 3HB ASN 131 22.455 5.461 -12.709 268 HD21 ASN 131 1HD2 ASN 131 22.285 3.185 -12.389 269 HD22 ASN 131 2HD2 ASN 131 23.272 2.100 -13.303 270 H CYS 132 H CYS 132 22.102 7.811 -14.129 271 HA CYS 132 HA CYS 132 21.635 6.581 -16.671 272 HB2 CYS 132 2HB CYS 132 20.384 8.906 -15.219 273 HB3 CYS 132 3HB CYS 132 19.911 8.476 -16.860 Start of MODEL 3 1 H CYS 93 H CYS 93 9.435 19.760 -21.061 2 HA CYS 93 HA CYS 93 8.182 21.326 -18.930 3 HB2 CYS 93 2HB CYS 93 8.975 18.775 -17.867 4 HB3 CYS 93 3HB CYS 93 7.400 19.561 -17.802 5 H VAL 94 H VAL 94 9.650 20.550 -16.798 6 HA VAL 94 HA VAL 94 12.109 21.860 -17.201 7 HB VAL 94 HB VAL 94 11.006 20.235 -14.930 8 HG11 VAL 94 1HG1 VAL 94 13.196 19.702 -14.544 9 HG12 VAL 94 2HG1 VAL 94 13.806 21.148 -15.349 10 HG13 VAL 94 3HG1 VAL 94 13.115 21.264 -13.730 11 HG21 VAL 94 3HG2 VAL 94 10.176 22.534 -15.342 12 HG22 VAL 94 1HG2 VAL 94 10.976 22.354 -13.780 13 HG23 VAL 94 2HG2 VAL 94 11.819 23.133 -15.118 14 H ALA 95 H ALA 95 14.061 21.152 -17.794 15 HA ALA 95 HA ALA 95 14.372 18.394 -18.590 16 HB1 ALA 95 1HB ALA 95 15.258 20.037 -20.071 17 HB2 ALA 95 2HB ALA 95 16.202 20.779 -18.779 18 HB3 ALA 95 3HB ALA 95 16.622 19.170 -19.365 19 H THR 96 H THR 96 16.426 20.547 -16.618 20 HA THR 96 HA THR 96 16.640 18.631 -14.499 21 HB THR 96 HB THR 96 19.223 19.177 -15.944 22 HG1 THR 96 HG1 THR 96 17.882 16.710 -16.184 23 HG21 THR 96 3HG2 THR 96 18.510 17.955 -13.487 24 HG22 THR 96 1HG2 THR 96 20.111 18.090 -14.215 25 HG23 THR 96 2HG2 THR 96 19.099 16.687 -14.562 26 H ARG 97 H ARG 97 17.629 19.474 -12.649 27 HA ARG 97 HA ARG 97 17.885 21.231 -11.185 28 HB2 ARG 97 2HB ARG 97 20.005 22.328 -11.443 29 HB3 ARG 97 3HB ARG 97 20.177 20.670 -12.003 30 HG2 ARG 97 2HG ARG 97 19.490 22.699 -14.039 31 HG3 ARG 97 3HG ARG 97 21.114 22.765 -13.353 32 HD2 ARG 97 2HD ARG 97 20.184 20.083 -14.117 33 HD3 ARG 97 3HD ARG 97 20.391 21.212 -15.456 34 HE ARG 97 HE ARG 97 22.621 21.116 -13.637 35 HH11 ARG 97 1HH1 ARG 97 21.167 19.740 -16.484 36 HH12 ARG 97 2HH1 ARG 97 22.662 19.131 -17.112 37 HH21 ARG 97 1HH2 ARG 97 24.597 20.320 -14.454 38 HH22 ARG 97 2HH2 ARG 97 24.612 19.461 -15.957 39 H ASN 98 H ASN 98 15.820 21.789 -12.996 40 HA ASN 98 HA ASN 98 16.215 24.612 -13.694 41 HB2 ASN 98 2HB ASN 98 15.161 22.652 -15.216 42 HB3 ASN 98 3HB ASN 98 13.694 23.234 -14.433 43 HD21 ASN 98 1HD2 ASN 98 14.394 23.394 -17.211 44 HD22 ASN 98 2HD2 ASN 98 14.431 25.072 -17.624 45 H SER 99 H SER 99 13.520 22.628 -12.450 46 HA SER 99 HA SER 99 13.170 24.338 -10.168 47 HB2 SER 99 2HB SER 99 12.045 25.781 -11.699 48 HB3 SER 99 3HB SER 99 11.200 24.432 -12.456 49 HG SER 99 HG SER 99 10.787 25.551 -9.893 50 H CYS 100 H CYS 100 11.847 23.436 -8.598 51 HA CYS 100 HA CYS 100 11.155 20.631 -9.067 52 HB2 CYS 100 2HB CYS 100 12.110 22.177 -6.783 53 HB3 CYS 100 3HB CYS 100 10.742 21.145 -6.374 54 H LYS 101 H LYS 101 9.271 20.165 -7.166 55 HA LYS 101 HA LYS 101 7.028 20.198 -6.794 56 HB2 LYS 101 2HB LYS 101 7.597 23.109 -7.253 57 HB3 LYS 101 3HB LYS 101 5.947 22.553 -7.009 58 HG2 LYS 101 2HG LYS 101 6.539 23.109 -4.873 59 HG3 LYS 101 3HG LYS 101 6.967 21.397 -4.897 60 HD2 LYS 101 2HD LYS 101 9.256 22.577 -5.819 61 HD3 LYS 101 3HD LYS 101 8.674 23.765 -4.652 62 HE2 LYS 101 2HE LYS 101 10.162 22.175 -3.576 63 HE3 LYS 101 3HE LYS 101 8.522 22.002 -2.951 64 HZ1 LYS 101 3HZ LYS 101 8.443 19.907 -3.641 65 HZ2 LYS 101 1HZ LYS 101 10.101 20.005 -3.959 66 HZ3 LYS 101 2HZ LYS 101 8.984 20.303 -5.193 67 HA PRO 102 HA PRO 102 6.311 19.983 -11.388 68 HB2 PRO 102 2HB PRO 102 5.628 17.355 -11.403 69 HB3 PRO 102 3HB PRO 102 7.300 17.915 -11.541 70 HG2 PRO 102 2HG PRO 102 5.836 16.894 -9.137 71 HG3 PRO 102 3HG PRO 102 7.486 16.534 -9.679 72 HD2 PRO 102 2HD PRO 102 6.954 18.308 -7.704 73 HD3 PRO 102 3HD PRO 102 8.332 18.493 -8.806 74 H ALA 103 H ALA 103 4.504 21.386 -10.568 75 HA ALA 103 HA ALA 103 2.145 20.464 -9.456 76 HB1 ALA 103 1HB ALA 103 1.153 22.396 -10.975 77 HB2 ALA 103 2HB ALA 103 2.160 22.738 -9.567 78 HB3 ALA 103 3HB ALA 103 2.865 22.767 -11.184 79 H ALA 104 H ALA 104 2.329 21.307 -12.906 80 HA ALA 104 HA ALA 104 0.656 18.947 -13.475 81 HB1 ALA 104 1HB ALA 104 -0.101 20.374 -15.486 82 HB2 ALA 104 2HB ALA 104 -0.757 20.742 -13.890 83 HB3 ALA 104 3HB ALA 104 0.537 21.734 -14.562 84 H ALA 105 H ALA 105 3.358 20.931 -14.477 85 HA ALA 105 HA ALA 105 4.603 18.778 -15.843 86 HB1 ALA 105 1HB ALA 105 4.498 19.501 -18.102 87 HB2 ALA 105 2HB ALA 105 2.841 19.464 -17.500 88 HB3 ALA 105 3HB ALA 105 3.689 21.002 -17.653 89 H ALA 106 H ALA 106 6.318 19.370 -14.501 90 HA ALA 106 HA ALA 106 8.047 21.392 -15.584 91 HB1 ALA 106 1HB ALA 106 7.146 21.762 -12.733 92 HB2 ALA 106 2HB ALA 106 8.237 22.794 -13.658 93 HB3 ALA 106 3HB ALA 106 6.531 22.699 -14.094 94 H CYS 107 H CYS 107 8.341 18.651 -15.388 95 HA CYS 107 HA CYS 107 10.862 18.413 -14.175 96 HB2 CYS 107 2HB CYS 107 9.416 18.425 -12.113 97 HB3 CYS 107 3HB CYS 107 8.694 16.925 -12.685 98 H CYS 108 H CYS 108 10.268 17.826 -16.645 99 HA CYS 108 HA CYS 108 9.398 15.125 -17.049 100 HB2 CYS 108 2HB CYS 108 10.294 17.376 -18.738 101 HB3 CYS 108 3HB CYS 108 10.640 15.772 -19.377 102 H ASP 109 H ASP 109 11.036 14.383 -15.362 103 HA ASP 109 HA ASP 109 13.220 13.139 -16.759 104 HB2 ASP 109 2HB ASP 109 13.995 15.492 -15.963 105 HB3 ASP 109 3HB ASP 109 14.020 14.761 -14.361 106 HA PRO 110 HA PRO 110 11.362 10.575 -13.428 107 HB2 PRO 110 2HB PRO 110 11.444 8.275 -14.867 108 HB3 PRO 110 3HB PRO 110 10.122 9.441 -14.994 109 HG2 PRO 110 2HG PRO 110 12.491 9.059 -16.785 110 HG3 PRO 110 3HG PRO 110 10.796 9.346 -17.219 111 HD2 PRO 110 2HD PRO 110 12.659 11.311 -17.246 112 HD3 PRO 110 3HD PRO 110 10.955 11.616 -16.852 113 H CYS 111 H CYS 111 14.345 10.772 -14.985 114 HA CYS 111 HA CYS 111 15.515 8.581 -13.431 115 HB2 CYS 111 2HB CYS 111 15.976 9.473 -16.026 116 HB3 CYS 111 3HB CYS 111 17.363 10.066 -15.119 117 H ALA 112 H ALA 112 14.855 11.764 -13.031 118 HA ALA 112 HA ALA 112 17.298 12.283 -11.471 119 HB1 ALA 112 1HB ALA 112 15.301 14.402 -12.157 120 HB2 ALA 112 2HB ALA 112 17.025 14.556 -11.816 121 HB3 ALA 112 3HB ALA 112 16.488 13.872 -13.350 122 H SER 113 H SER 113 16.501 14.166 -9.732 123 HA SER 113 HA SER 113 14.116 13.285 -8.332 124 HB2 SER 113 2HB SER 113 16.189 11.848 -7.646 125 HB3 SER 113 3HB SER 113 16.669 13.289 -6.749 126 HG SER 113 HG SER 113 15.058 11.461 -5.913 127 H CYS 114 H CYS 114 13.413 14.743 -6.722 128 HA CYS 114 HA CYS 114 14.051 17.460 -7.250 129 HB2 CYS 114 2HB CYS 114 11.815 16.552 -6.470 130 HB3 CYS 114 3HB CYS 114 12.523 16.417 -4.864 131 H TYR 115 H TYR 115 16.019 18.194 -6.712 132 HA TYR 115 HA TYR 115 17.017 17.630 -3.999 133 HB2 TYR 115 2HB TYR 115 18.670 16.835 -5.431 134 HB3 TYR 115 3HB TYR 115 18.406 18.112 -6.612 135 HD1 TYR 115 HD1 TYR 115 19.971 17.283 -3.382 136 HD2 TYR 115 HD2 TYR 115 19.540 20.217 -6.434 137 HE1 TYR 115 HE1 TYR 115 21.859 18.541 -2.432 138 HE2 TYR 115 HE2 TYR 115 21.428 21.481 -5.493 139 HH TYR 115 HH TYR 115 23.413 21.048 -4.081 140 H CYS 116 H CYS 116 17.688 19.293 -2.685 141 HA CYS 116 HA CYS 116 17.072 22.013 -3.638 142 HB2 CYS 116 2HB CYS 116 16.836 20.997 -0.800 143 HB3 CYS 116 3HB CYS 116 16.356 22.583 -1.396 144 H ARG 117 H ARG 117 18.287 23.749 -2.585 145 HA ARG 117 HA ARG 117 20.992 22.864 -1.823 146 HB2 ARG 117 2HB ARG 117 21.500 25.335 -2.654 147 HB3 ARG 117 3HB ARG 117 21.442 23.977 -3.770 148 HG2 ARG 117 2HG ARG 117 20.237 25.814 -4.718 149 HG3 ARG 117 3HG ARG 117 19.088 24.550 -4.275 150 HD2 ARG 117 2HD ARG 117 18.156 25.791 -2.610 151 HD3 ARG 117 3HD ARG 117 19.662 26.634 -2.249 152 HE ARG 117 HE ARG 117 17.598 27.506 -4.002 153 HH11 ARG 117 1HH1 ARG 117 21.044 27.547 -3.520 154 HH12 ARG 117 2HH1 ARG 117 21.281 29.022 -4.397 155 HH21 ARG 117 1HH2 ARG 117 17.895 29.449 -5.159 156 HH22 ARG 117 2HH2 ARG 117 19.490 30.104 -5.328 157 H PHE 118 H PHE 118 22.079 25.143 -0.892 158 HA PHE 118 HA PHE 118 21.441 25.304 1.730 159 HB2 PHE 118 2HB PHE 118 22.632 27.286 -0.160 160 HB3 PHE 118 3HB PHE 118 22.235 27.818 1.471 161 HD1 PHE 118 HD2 PHE 118 23.783 24.773 -0.041 162 HD2 PHE 118 HD1 PHE 118 24.036 27.864 2.874 163 HE1 PHE 118 HE2 PHE 118 25.896 23.820 0.780 164 HE2 PHE 118 HE1 PHE 118 26.151 26.916 3.699 165 HZ PHE 118 HZ PHE 118 27.084 24.891 2.653 166 H PHE 119 H PHE 119 20.226 27.617 -0.699 167 HA PHE 119 HA PHE 119 18.546 29.105 0.867 168 HB2 PHE 119 2HB PHE 119 19.061 29.067 -1.766 169 HB3 PHE 119 3HB PHE 119 17.470 28.315 -1.788 170 HD1 PHE 119 HD1 PHE 119 19.034 31.145 0.082 171 HD2 PHE 119 HD2 PHE 119 15.805 29.783 -2.333 172 HE1 PHE 119 HE1 PHE 119 17.988 33.366 0.235 173 HE2 PHE 119 HE2 PHE 119 14.754 32.003 -2.185 174 HZ PHE 119 HZ PHE 119 15.846 33.798 -0.901 175 H ARG 120 H ARG 120 17.805 26.014 -0.709 176 HA ARG 120 HA ARG 120 16.212 24.442 -0.305 177 HB2 ARG 120 2HB ARG 120 17.085 24.982 2.106 178 HB3 ARG 120 3HB ARG 120 15.517 25.755 2.296 179 HG2 ARG 120 2HG ARG 120 15.158 23.622 3.115 180 HG3 ARG 120 3HG ARG 120 14.555 23.517 1.460 181 HD2 ARG 120 2HD ARG 120 15.914 21.571 2.029 182 HD3 ARG 120 3HD ARG 120 16.665 22.520 0.747 183 HE ARG 120 HE ARG 120 18.431 22.931 2.139 184 HH11 ARG 120 1HH1 ARG 120 15.741 21.783 4.027 185 HH12 ARG 120 2HH1 ARG 120 16.657 21.649 5.492 186 HH21 ARG 120 1HH2 ARG 120 19.648 22.760 4.062 187 HH22 ARG 120 2HH2 ARG 120 18.878 22.207 5.510 188 H SER 121 H SER 121 15.597 27.317 -1.252 189 HA SER 121 HA SER 121 12.673 27.138 -0.920 190 HB2 SER 121 2HB SER 121 14.438 29.331 -0.430 191 HB3 SER 121 3HB SER 121 13.406 29.746 -1.798 192 HG SER 121 HG SER 121 12.759 29.871 0.710 193 H ALA 122 H ALA 122 15.285 27.045 -3.079 194 HA ALA 122 HA ALA 122 13.432 27.227 -5.364 195 HB1 ALA 122 1HB ALA 122 16.140 28.422 -5.012 196 HB2 ALA 122 2HB ALA 122 15.628 27.909 -6.620 197 HB3 ALA 122 3HB ALA 122 14.688 29.111 -5.738 198 H CYS 123 H CYS 123 13.486 24.831 -4.479 199 HA CYS 123 HA CYS 123 15.718 23.223 -5.198 200 HB2 CYS 123 2HB CYS 123 12.858 22.310 -4.861 201 HB3 CYS 123 3HB CYS 123 14.317 21.338 -4.690 202 H TYR 124 H TYR 124 15.725 21.552 -6.855 203 HA TYR 124 HA TYR 124 13.942 21.927 -9.118 204 HB2 TYR 124 2HB TYR 124 16.171 21.953 -10.566 205 HB3 TYR 124 3HB TYR 124 15.437 23.440 -9.973 206 HD1 TYR 124 HD1 TYR 124 17.991 20.887 -9.036 207 HD2 TYR 124 HD2 TYR 124 16.724 24.938 -8.752 208 HE1 TYR 124 HE1 TYR 124 20.090 21.456 -7.888 209 HE2 TYR 124 HE2 TYR 124 18.820 25.520 -7.604 210 HH TYR 124 HH TYR 124 21.177 23.043 -6.718 211 H CYS 125 H CYS 125 14.214 20.260 -10.766 212 HA CYS 125 HA CYS 125 14.630 17.698 -9.587 213 HB2 CYS 125 2HB CYS 125 13.707 18.745 -12.195 214 HB3 CYS 125 3HB CYS 125 14.434 17.142 -12.230 215 H ARG 126 H ARG 126 16.777 17.544 -8.956 216 HA ARG 126 HA ARG 126 18.802 17.675 -11.079 217 HB2 ARG 126 2HB ARG 126 19.020 18.948 -8.841 218 HB3 ARG 126 3HB ARG 126 19.391 17.375 -8.146 219 HG2 ARG 126 2HG ARG 126 21.335 17.146 -9.490 220 HG3 ARG 126 3HG ARG 126 20.898 18.550 -10.466 221 HD2 ARG 126 2HD ARG 126 22.307 19.643 -9.095 222 HD3 ARG 126 3HD ARG 126 20.933 19.642 -7.990 223 HE ARG 126 HE ARG 126 22.035 18.130 -6.659 224 HH11 ARG 126 1HH1 ARG 126 23.656 18.384 -9.730 225 HH12 ARG 126 2HH1 ARG 126 25.035 17.464 -9.225 226 HH21 ARG 126 1HH2 ARG 126 23.845 16.917 -5.983 227 HH22 ARG 126 2HH2 ARG 126 25.141 16.630 -7.094 228 H VAL 127 H VAL 127 19.877 15.906 -11.747 229 HA VAL 127 HA VAL 127 18.900 13.325 -10.979 230 HB VAL 127 HB VAL 127 20.712 12.494 -12.544 231 HG11 VAL 127 1HG1 VAL 127 18.725 14.502 -13.602 232 HG12 VAL 127 2HG1 VAL 127 19.531 13.256 -14.556 233 HG13 VAL 127 3HG1 VAL 127 18.413 12.798 -13.272 234 HG21 VAL 127 3HG2 VAL 127 21.072 15.053 -13.834 235 HG22 VAL 127 1HG2 VAL 127 21.706 15.070 -12.188 236 HG23 VAL 127 2HG2 VAL 127 22.277 13.863 -13.341 237 H LEU 128 H LEU 128 19.433 12.851 -8.884 238 HA LEU 128 HA LEU 128 22.222 13.056 -8.046 239 HB2 LEU 128 2HB LEU 128 19.626 12.594 -6.641 240 HB3 LEU 128 3HB LEU 128 21.137 12.127 -5.863 241 HG LEU 128 HG LEU 128 20.361 14.316 -5.103 242 HD11 LEU 128 1HD1 LEU 128 22.425 15.412 -5.220 243 HD12 LEU 128 2HD1 LEU 128 22.788 14.749 -6.814 244 HD13 LEU 128 3HD1 LEU 128 22.821 13.702 -5.395 245 HD21 LEU 128 3HD2 LEU 128 20.350 16.223 -6.634 246 HD22 LEU 128 1HD2 LEU 128 19.163 15.007 -7.108 247 HD23 LEU 128 2HD2 LEU 128 20.688 15.140 -7.986 248 H SER 129 H SER 129 21.260 11.075 -10.040 249 HA SER 129 HA SER 129 21.705 8.559 -8.603 250 HB2 SER 129 2HB SER 129 19.756 8.845 -10.218 251 HB3 SER 129 3HB SER 129 20.954 8.864 -11.512 252 HG SER 129 HG SER 129 20.116 6.764 -11.137 253 H LEU 130 H LEU 130 23.062 10.625 -11.088 254 HA LEU 130 HA LEU 130 25.074 10.650 -12.146 255 HB2 LEU 130 2HB LEU 130 26.023 8.855 -9.924 256 HB3 LEU 130 3HB LEU 130 26.992 9.943 -10.917 257 HG LEU 130 HG LEU 130 24.855 11.002 -9.097 258 HD11 LEU 130 1HD1 LEU 130 26.325 9.575 -7.745 259 HD12 LEU 130 2HD1 LEU 130 26.517 11.284 -7.355 260 HD13 LEU 130 3HD1 LEU 130 27.724 10.464 -8.345 261 HD21 LEU 130 3HD2 LEU 130 25.612 12.663 -10.547 262 HD22 LEU 130 1HD2 LEU 130 27.279 12.093 -10.484 263 HD23 LEU 130 2HD2 LEU 130 26.575 12.913 -9.090 264 H ASN 131 H ASN 131 23.119 8.389 -12.556 265 HA ASN 131 HA ASN 131 25.007 6.501 -13.805 266 HB2 ASN 131 2HB ASN 131 22.411 6.007 -12.377 267 HB3 ASN 131 3HB ASN 131 22.979 4.878 -13.603 268 HD21 ASN 131 1HD2 ASN 131 22.602 4.380 -10.809 269 HD22 ASN 131 2HD2 ASN 131 24.140 3.931 -10.163 270 H CYS 132 H CYS 132 22.008 8.294 -14.089 271 HA CYS 132 HA CYS 132 21.349 7.292 -16.690 272 HB2 CYS 132 2HB CYS 132 20.346 9.821 -15.372 273 HB3 CYS 132 3HB CYS 132 19.579 8.928 -16.681 Start of MODEL 4 1 H CYS 93 H CYS 93 8.831 20.625 -20.846 2 HA CYS 93 HA CYS 93 7.757 20.927 -18.207 3 HB2 CYS 93 2HB CYS 93 8.627 18.635 -17.468 4 HB3 CYS 93 3HB CYS 93 7.101 18.667 -18.347 5 H VAL 94 H VAL 94 9.636 20.118 -16.588 6 HA VAL 94 HA VAL 94 11.922 21.716 -17.320 7 HB VAL 94 HB VAL 94 11.044 20.326 -14.821 8 HG11 VAL 94 1HG1 VAL 94 13.274 21.318 -13.879 9 HG12 VAL 94 2HG1 VAL 94 13.256 19.719 -14.627 10 HG13 VAL 94 3HG1 VAL 94 13.829 21.115 -15.540 11 HG21 VAL 94 3HG2 VAL 94 11.263 23.054 -15.836 12 HG22 VAL 94 1HG2 VAL 94 10.244 22.398 -14.554 13 HG23 VAL 94 2HG2 VAL 94 11.912 22.855 -14.207 14 H ALA 95 H ALA 95 13.841 21.026 -18.030 15 HA ALA 95 HA ALA 95 14.198 18.268 -18.716 16 HB1 ALA 95 1HB ALA 95 15.077 20.502 -19.853 17 HB2 ALA 95 2HB ALA 95 16.486 20.149 -18.851 18 HB3 ALA 95 3HB ALA 95 15.919 18.963 -20.027 19 H THR 96 H THR 96 16.314 20.443 -16.836 20 HA THR 96 HA THR 96 16.562 18.567 -14.682 21 HB THR 96 HB THR 96 19.117 19.072 -16.189 22 HG1 THR 96 HG1 THR 96 18.728 17.395 -17.458 23 HG21 THR 96 3HG2 THR 96 18.918 16.594 -14.744 24 HG22 THR 96 1HG2 THR 96 18.491 17.944 -13.695 25 HG23 THR 96 2HG2 THR 96 20.050 17.927 -14.519 26 H ARG 97 H ARG 97 17.553 19.450 -12.866 27 HA ARG 97 HA ARG 97 17.848 21.238 -11.449 28 HB2 ARG 97 2HB ARG 97 19.985 22.286 -11.740 29 HB3 ARG 97 3HB ARG 97 20.126 20.617 -12.273 30 HG2 ARG 97 2HG ARG 97 19.455 22.614 -14.343 31 HG3 ARG 97 3HG ARG 97 21.082 22.681 -13.663 32 HD2 ARG 97 2HD ARG 97 21.683 20.671 -14.545 33 HD3 ARG 97 3HD ARG 97 20.050 20.016 -14.440 34 HE ARG 97 HE ARG 97 19.795 21.867 -16.368 35 HH11 ARG 97 1HH1 ARG 97 22.115 19.320 -15.866 36 HH12 ARG 97 2HH1 ARG 97 22.406 19.075 -17.556 37 HH21 ARG 97 1HH2 ARG 97 20.170 21.554 -18.596 38 HH22 ARG 97 2HH2 ARG 97 21.300 20.347 -19.109 39 H ASN 98 H ASN 98 15.783 21.784 -13.265 40 HA ASN 98 HA ASN 98 16.215 24.608 -13.962 41 HB2 ASN 98 2HB ASN 98 15.237 22.641 -15.546 42 HB3 ASN 98 3HB ASN 98 13.738 23.259 -14.858 43 HD21 ASN 98 1HD2 ASN 98 14.324 23.425 -17.555 44 HD22 ASN 98 2HD2 ASN 98 14.537 25.085 -17.984 45 H SER 99 H SER 99 13.880 22.418 -12.428 46 HA SER 99 HA SER 99 13.280 24.148 -10.312 47 HB2 SER 99 2HB SER 99 11.695 24.550 -12.773 48 HB3 SER 99 3HB SER 99 10.754 24.398 -11.289 49 HG SER 99 HG SER 99 11.238 26.445 -11.108 50 H CYS 100 H CYS 100 11.904 23.207 -8.801 51 HA CYS 100 HA CYS 100 11.199 20.418 -9.385 52 HB2 CYS 100 2HB CYS 100 12.623 21.478 -7.291 53 HB3 CYS 100 3HB CYS 100 11.012 21.318 -6.596 54 H LYS 101 H LYS 101 9.431 20.100 -7.187 55 HA LYS 101 HA LYS 101 7.232 20.269 -6.624 56 HB2 LYS 101 2HB LYS 101 8.015 22.985 -7.307 57 HB3 LYS 101 3HB LYS 101 6.316 22.688 -7.654 58 HG2 LYS 101 2HG LYS 101 6.332 23.494 -5.471 59 HG3 LYS 101 3HG LYS 101 6.178 21.746 -5.286 60 HD2 LYS 101 2HD LYS 101 7.794 22.517 -3.699 61 HD3 LYS 101 3HD LYS 101 8.654 21.639 -4.967 62 HE2 LYS 101 2HE LYS 101 9.518 23.594 -5.899 63 HE3 LYS 101 3HE LYS 101 8.311 24.613 -5.116 64 HZ1 LYS 101 3HZ LYS 101 10.861 24.133 -4.234 65 HZ2 LYS 101 1HZ LYS 101 9.889 23.201 -3.210 66 HZ3 LYS 101 2HZ LYS 101 9.614 24.864 -3.354 67 HA PRO 102 HA PRO 102 6.140 19.013 -10.935 68 HB2 PRO 102 2HB PRO 102 5.189 16.573 -10.216 69 HB3 PRO 102 3HB PRO 102 6.899 16.880 -10.546 70 HG2 PRO 102 2HG PRO 102 5.477 16.713 -7.916 71 HG3 PRO 102 3HG PRO 102 7.048 16.035 -8.384 72 HD2 PRO 102 2HD PRO 102 6.815 18.322 -6.952 73 HD3 PRO 102 3HD PRO 102 8.140 18.045 -8.101 74 H ALA 103 H ALA 103 4.570 20.848 -10.175 75 HA ALA 103 HA ALA 103 1.926 19.674 -9.620 76 HB1 ALA 103 1HB ALA 103 3.070 22.377 -8.995 77 HB2 ALA 103 2HB ALA 103 1.331 22.079 -8.996 78 HB3 ALA 103 3HB ALA 103 2.379 21.187 -7.891 79 H ALA 104 H ALA 104 3.501 22.290 -11.457 80 HA ALA 104 HA ALA 104 1.219 22.525 -13.223 81 HB1 ALA 104 1HB ALA 104 2.498 24.511 -12.506 82 HB2 ALA 104 2HB ALA 104 3.899 23.898 -13.386 83 HB3 ALA 104 3HB ALA 104 2.432 24.338 -14.260 84 H ALA 105 H ALA 105 3.547 20.296 -13.011 85 HA ALA 105 HA ALA 105 4.114 18.613 -14.469 86 HB1 ALA 105 1HB ALA 105 1.966 19.538 -15.712 87 HB2 ALA 105 2HB ALA 105 3.177 20.080 -16.874 88 HB3 ALA 105 3HB ALA 105 3.049 18.368 -16.469 89 H ALA 106 H ALA 106 6.134 19.916 -13.689 90 HA ALA 106 HA ALA 106 7.781 20.316 -16.054 91 HB1 ALA 106 1HB ALA 106 7.983 22.411 -13.936 92 HB2 ALA 106 2HB ALA 106 8.463 22.477 -15.633 93 HB3 ALA 106 3HB ALA 106 6.756 22.552 -15.195 94 H CYS 107 H CYS 107 8.746 18.358 -15.355 95 HA CYS 107 HA CYS 107 11.059 18.643 -13.823 96 HB2 CYS 107 2HB CYS 107 8.888 18.480 -12.147 97 HB3 CYS 107 3HB CYS 107 9.413 16.802 -12.237 98 H CYS 108 H CYS 108 10.146 17.482 -16.283 99 HA CYS 108 HA CYS 108 9.882 14.725 -16.286 100 HB2 CYS 108 2HB CYS 108 11.058 16.663 -18.257 101 HB3 CYS 108 3HB CYS 108 11.099 14.932 -18.576 102 H ASP 109 H ASP 109 11.151 13.519 -14.980 103 HA ASP 109 HA ASP 109 13.719 12.784 -15.782 104 HB2 ASP 109 2HB ASP 109 13.754 15.212 -14.371 105 HB3 ASP 109 3HB ASP 109 14.302 13.994 -13.222 106 HA PRO 110 HA PRO 110 11.495 9.995 -12.839 107 HB2 PRO 110 2HB PRO 110 11.776 7.778 -14.381 108 HB3 PRO 110 3HB PRO 110 10.445 8.925 -14.580 109 HG2 PRO 110 2HG PRO 110 12.988 8.687 -16.141 110 HG3 PRO 110 3HG PRO 110 11.337 8.965 -16.726 111 HD2 PRO 110 2HD PRO 110 13.145 10.964 -16.463 112 HD3 PRO 110 3HD PRO 110 11.404 11.215 -16.226 113 H CYS 111 H CYS 111 14.612 10.326 -14.088 114 HA CYS 111 HA CYS 111 15.647 8.185 -12.350 115 HB2 CYS 111 2HB CYS 111 16.348 9.048 -15.029 116 HB3 CYS 111 3HB CYS 111 17.748 9.083 -13.962 117 H ALA 112 H ALA 112 15.004 11.313 -12.170 118 HA ALA 112 HA ALA 112 17.504 12.006 -10.772 119 HB1 ALA 112 1HB ALA 112 15.506 14.084 -11.520 120 HB2 ALA 112 2HB ALA 112 17.260 14.202 -11.378 121 HB3 ALA 112 3HB ALA 112 16.541 13.403 -12.776 122 H SER 113 H SER 113 16.682 14.079 -9.226 123 HA SER 113 HA SER 113 14.370 13.284 -7.670 124 HB2 SER 113 2HB SER 113 16.663 12.080 -6.941 125 HB3 SER 113 3HB SER 113 16.828 13.582 -6.031 126 HG SER 113 HG SER 113 15.223 13.009 -4.773 127 H CYS 114 H CYS 114 13.815 14.849 -6.012 128 HA CYS 114 HA CYS 114 14.194 17.518 -6.901 129 HB2 CYS 114 2HB CYS 114 12.190 16.483 -5.629 130 HB3 CYS 114 3HB CYS 114 13.139 16.792 -4.180 131 H TYR 115 H TYR 115 16.137 18.451 -6.726 132 HA TYR 115 HA TYR 115 17.691 18.074 -4.271 133 HB2 TYR 115 2HB TYR 115 18.865 17.653 -6.379 134 HB3 TYR 115 3HB TYR 115 18.487 19.282 -6.928 135 HD1 TYR 115 HD2 TYR 115 19.459 21.241 -5.636 136 HD2 TYR 115 HD1 TYR 115 20.780 17.234 -5.082 137 HE1 TYR 115 HE2 TYR 115 21.536 22.072 -4.613 138 HE2 TYR 115 HE1 TYR 115 22.859 18.055 -4.056 139 HH TYR 115 HH TYR 115 23.406 20.538 -2.743 140 H CYS 116 H CYS 116 18.205 19.721 -2.912 141 HA CYS 116 HA CYS 116 17.166 22.396 -3.581 142 HB2 CYS 116 2HB CYS 116 17.063 21.039 -0.879 143 HB3 CYS 116 3HB CYS 116 16.528 22.680 -1.223 144 H ARG 117 H ARG 117 18.227 24.171 -2.482 145 HA ARG 117 HA ARG 117 21.003 23.526 -1.731 146 HB2 ARG 117 2HB ARG 117 21.295 26.041 -2.524 147 HB3 ARG 117 3HB ARG 117 21.368 24.700 -3.659 148 HG2 ARG 117 2HG ARG 117 20.013 26.429 -4.599 149 HG3 ARG 117 3HG ARG 117 18.970 25.071 -4.171 150 HD2 ARG 117 2HD ARG 117 17.908 26.226 -2.534 151 HD3 ARG 117 3HD ARG 117 19.348 27.150 -2.105 152 HE ARG 117 HE ARG 117 17.286 27.936 -3.906 153 HH11 ARG 117 1HH1 ARG 117 20.701 28.198 -3.283 154 HH12 ARG 117 2HH1 ARG 117 20.868 29.713 -4.104 155 HH21 ARG 117 1HH2 ARG 117 17.492 29.932 -4.991 156 HH22 ARG 117 2HH2 ARG 117 19.042 30.699 -5.075 157 H PHE 118 H PHE 118 21.863 25.891 -0.763 158 HA PHE 118 HA PHE 118 21.190 25.955 1.854 159 HB2 PHE 118 2HB PHE 118 22.208 28.062 0.000 160 HB3 PHE 118 3HB PHE 118 21.745 28.536 1.632 161 HD1 PHE 118 HD1 PHE 118 23.507 25.564 0.221 162 HD2 PHE 118 HD2 PHE 118 23.600 28.837 2.941 163 HE1 PHE 118 HE1 PHE 118 25.693 24.803 1.057 164 HE2 PHE 118 HE2 PHE 118 25.786 28.081 3.782 165 HZ PHE 118 HZ PHE 118 26.835 26.063 2.839 166 H PHE 119 H PHE 119 19.787 28.182 -0.555 167 HA PHE 119 HA PHE 119 17.956 29.472 1.023 168 HB2 PHE 119 2HB PHE 119 18.515 29.577 -1.589 169 HB3 PHE 119 3HB PHE 119 17.021 28.650 -1.680 170 HD1 PHE 119 HD1 PHE 119 18.224 31.590 0.285 171 HD2 PHE 119 HD2 PHE 119 15.196 29.923 -2.197 172 HE1 PHE 119 HE1 PHE 119 16.928 33.673 0.475 173 HE2 PHE 119 HE2 PHE 119 13.895 32.003 -2.014 174 HZ PHE 119 HZ PHE 119 14.761 33.882 -0.677 175 H ARG 120 H ARG 120 17.565 26.349 -0.605 176 HA ARG 120 HA ARG 120 16.139 24.614 -0.243 177 HB2 ARG 120 2HB ARG 120 16.838 25.151 2.175 178 HB3 ARG 120 3HB ARG 120 15.272 25.936 2.317 179 HG2 ARG 120 2HG ARG 120 14.737 23.871 3.096 180 HG3 ARG 120 3HG ARG 120 14.417 23.624 1.378 181 HD2 ARG 120 2HD ARG 120 15.677 21.757 2.028 182 HD3 ARG 120 3HD ARG 120 16.828 22.817 1.216 183 HE ARG 120 HE ARG 120 17.975 22.989 3.178 184 HH11 ARG 120 1HH1 ARG 120 14.742 21.898 3.868 185 HH12 ARG 120 2HH1 ARG 120 15.049 21.636 5.553 186 HH21 ARG 120 1HH2 ARG 120 18.392 22.648 5.395 187 HH22 ARG 120 2HH2 ARG 120 17.126 22.064 6.420 188 H SER 121 H SER 121 15.283 27.285 -1.394 189 HA SER 121 HA SER 121 12.377 26.864 -1.136 190 HB2 SER 121 2HB SER 121 13.744 29.164 -0.458 191 HB3 SER 121 3HB SER 121 13.179 29.514 -2.092 192 HG SER 121 HG SER 121 11.785 29.716 0.075 193 H ALA 122 H ALA 122 15.091 27.473 -3.245 194 HA ALA 122 HA ALA 122 13.330 27.237 -5.591 195 HB1 ALA 122 1HB ALA 122 14.916 29.241 -5.279 196 HB2 ALA 122 2HB ALA 122 16.194 28.107 -5.719 197 HB3 ALA 122 3HB ALA 122 14.879 28.434 -6.848 198 H CYS 123 H CYS 123 13.390 24.869 -4.789 199 HA CYS 123 HA CYS 123 15.779 23.384 -5.380 200 HB2 CYS 123 2HB CYS 123 12.976 22.335 -4.949 201 HB3 CYS 123 3HB CYS 123 14.476 21.421 -4.830 202 H TYR 124 H TYR 124 15.877 21.663 -6.981 203 HA TYR 124 HA TYR 124 14.070 21.912 -9.256 204 HB2 TYR 124 2HB TYR 124 16.164 21.966 -10.770 205 HB3 TYR 124 3HB TYR 124 15.651 23.465 -10.005 206 HD1 TYR 124 HD1 TYR 124 17.806 20.542 -9.090 207 HD2 TYR 124 HD2 TYR 124 17.366 24.772 -9.211 208 HE1 TYR 124 HE1 TYR 124 20.044 20.797 -8.104 209 HE2 TYR 124 HE2 TYR 124 19.605 25.039 -8.227 210 HH TYR 124 HH TYR 124 21.817 23.414 -8.219 211 H CYS 125 H CYS 125 14.425 20.196 -10.873 212 HA CYS 125 HA CYS 125 14.816 17.677 -9.576 213 HB2 CYS 125 2HB CYS 125 13.856 18.624 -12.201 214 HB3 CYS 125 3HB CYS 125 14.633 17.044 -12.217 215 H ARG 126 H ARG 126 16.931 17.426 -8.963 216 HA ARG 126 HA ARG 126 18.981 17.578 -11.063 217 HB2 ARG 126 2HB ARG 126 19.172 18.796 -8.777 218 HB3 ARG 126 3HB ARG 126 19.562 17.203 -8.141 219 HG2 ARG 126 2HG ARG 126 21.431 17.056 -9.744 220 HG3 ARG 126 3HG ARG 126 21.060 18.694 -10.285 221 HD2 ARG 126 2HD ARG 126 21.256 19.227 -7.715 222 HD3 ARG 126 3HD ARG 126 22.226 17.754 -7.709 223 HE ARG 126 HE ARG 126 22.962 20.305 -8.795 224 HH11 ARG 126 1HH1 ARG 126 23.479 16.868 -8.989 225 HH12 ARG 126 2HH1 ARG 126 25.067 17.014 -9.668 226 HH21 ARG 126 1HH2 ARG 126 25.050 20.510 -9.689 227 HH22 ARG 126 2HH2 ARG 126 25.960 19.086 -10.065 228 H VAL 127 H VAL 127 20.009 15.804 -11.774 229 HA VAL 127 HA VAL 127 19.037 13.221 -10.940 230 HB VAL 127 HB VAL 127 20.667 12.373 -12.679 231 HG11 VAL 127 1HG1 VAL 127 18.473 12.501 -13.413 232 HG12 VAL 127 2HG1 VAL 127 18.424 14.260 -13.280 233 HG13 VAL 127 3HG1 VAL 127 19.328 13.498 -14.590 234 HG21 VAL 127 3HG2 VAL 127 22.186 13.723 -13.584 235 HG22 VAL 127 1HG2 VAL 127 20.943 14.889 -14.040 236 HG23 VAL 127 2HG2 VAL 127 21.689 14.973 -12.444 237 H LEU 128 H LEU 128 19.782 12.642 -8.960 238 HA LEU 128 HA LEU 128 22.623 12.915 -8.356 239 HB2 LEU 128 2HB LEU 128 20.429 11.844 -6.594 240 HB3 LEU 128 3HB LEU 128 22.047 12.339 -6.100 241 HG LEU 128 HG LEU 128 20.427 14.439 -7.380 242 HD11 LEU 128 1HD1 LEU 128 19.055 12.865 -5.627 243 HD12 LEU 128 2HD1 LEU 128 18.722 14.568 -5.940 244 HD13 LEU 128 3HD1 LEU 128 19.721 14.104 -4.563 245 HD21 LEU 128 3HD2 LEU 128 22.100 15.566 -6.448 246 HD22 LEU 128 1HD2 LEU 128 22.620 14.150 -5.534 247 HD23 LEU 128 2HD2 LEU 128 21.380 15.217 -4.874 248 H SER 129 H SER 129 21.569 10.982 -10.342 249 HA SER 129 HA SER 129 22.279 8.441 -9.049 250 HB2 SER 129 2HB SER 129 20.252 8.082 -10.135 251 HB3 SER 129 3HB SER 129 20.672 9.141 -11.482 252 HG SER 129 HG SER 129 21.211 6.466 -11.099 253 H LEU 130 H LEU 130 22.963 10.388 -11.937 254 HA LEU 130 HA LEU 130 24.779 10.514 -13.299 255 HB2 LEU 130 2HB LEU 130 26.318 9.132 -11.117 256 HB3 LEU 130 3HB LEU 130 26.934 10.231 -12.351 257 HG LEU 130 HG LEU 130 25.023 11.119 -10.202 258 HD11 LEU 130 1HD1 LEU 130 28.018 10.918 -10.142 259 HD12 LEU 130 2HD1 LEU 130 26.849 10.352 -8.950 260 HD13 LEU 130 3HD1 LEU 130 27.134 12.080 -9.153 261 HD21 LEU 130 3HD2 LEU 130 25.706 13.309 -10.794 262 HD22 LEU 130 1HD2 LEU 130 25.346 12.472 -12.304 263 HD23 LEU 130 2HD2 LEU 130 27.021 12.704 -11.802 264 H ASN 131 H ASN 131 23.116 7.966 -12.997 265 HA ASN 131 HA ASN 131 24.988 6.186 -14.416 266 HB2 ASN 131 2HB ASN 131 24.264 5.350 -12.160 267 HB3 ASN 131 3HB ASN 131 22.612 5.307 -12.766 268 HD21 ASN 131 1HD2 ASN 131 22.058 3.288 -13.115 269 HD22 ASN 131 2HD2 ASN 131 23.024 2.086 -13.894 270 H CYS 132 H CYS 132 21.769 7.546 -14.247 271 HA CYS 132 HA CYS 132 20.682 6.072 -16.428 272 HB2 CYS 132 2HB CYS 132 19.631 7.694 -14.493 273 HB3 CYS 132 3HB CYS 132 19.540 8.734 -15.910 Start of MODEL 5 1 H CYS 93 H CYS 93 9.151 21.177 -20.851 2 HA CYS 93 HA CYS 93 8.019 21.073 -18.237 3 HB2 CYS 93 2HB CYS 93 9.057 18.766 -17.748 4 HB3 CYS 93 3HB CYS 93 7.515 18.809 -18.598 5 H VAL 94 H VAL 94 9.945 20.148 -16.695 6 HA VAL 94 HA VAL 94 12.140 21.964 -17.212 7 HB VAL 94 HB VAL 94 11.259 20.348 -14.858 8 HG11 VAL 94 1HG1 VAL 94 13.499 19.793 -14.695 9 HG12 VAL 94 2HG1 VAL 94 14.034 21.320 -15.399 10 HG13 VAL 94 3HG1 VAL 94 13.411 21.279 -13.750 11 HG21 VAL 94 3HG2 VAL 94 10.357 22.565 -15.080 12 HG22 VAL 94 1HG2 VAL 94 11.508 22.555 -13.743 13 HG23 VAL 94 2HG2 VAL 94 11.969 23.245 -15.300 14 H ALA 95 H ALA 95 14.096 21.429 -17.946 15 HA ALA 95 HA ALA 95 14.617 18.748 -18.812 16 HB1 ALA 95 1HB ALA 95 16.251 21.274 -18.888 17 HB2 ALA 95 2HB ALA 95 16.832 19.730 -19.512 18 HB3 ALA 95 3HB ALA 95 15.403 20.484 -20.218 19 H THR 96 H THR 96 16.578 20.909 -16.756 20 HA THR 96 HA THR 96 16.911 18.908 -14.730 21 HB THR 96 HB THR 96 19.418 19.651 -16.232 22 HG1 THR 96 HG1 THR 96 18.759 18.250 -17.675 23 HG21 THR 96 3HG2 THR 96 19.639 18.957 -13.866 24 HG22 THR 96 1HG2 THR 96 20.404 17.825 -14.980 25 HG23 THR 96 2HG2 THR 96 18.840 17.435 -14.262 26 H ARG 97 H ARG 97 17.846 19.719 -12.846 27 HA ARG 97 HA ARG 97 18.007 21.425 -11.307 28 HB2 ARG 97 2HB ARG 97 20.088 22.616 -11.498 29 HB3 ARG 97 3HB ARG 97 20.328 20.982 -12.101 30 HG2 ARG 97 2HG ARG 97 19.596 23.033 -14.096 31 HG3 ARG 97 3HG ARG 97 21.204 23.151 -13.379 32 HD2 ARG 97 2HD ARG 97 20.948 20.464 -13.949 33 HD3 ARG 97 3HD ARG 97 20.154 21.248 -15.314 34 HE ARG 97 HE ARG 97 22.471 22.621 -15.081 35 HH11 ARG 97 1HH1 ARG 97 21.715 19.230 -15.302 36 HH12 ARG 97 2HH1 ARG 97 23.198 18.817 -16.096 37 HH21 ARG 97 1HH2 ARG 97 24.428 22.090 -16.125 38 HH22 ARG 97 2HH2 ARG 97 24.741 20.444 -16.563 39 H ASN 98 H ASN 98 15.927 21.992 -13.060 40 HA ASN 98 HA ASN 98 16.237 24.843 -13.683 41 HB2 ASN 98 2HB ASN 98 15.259 22.942 -15.286 42 HB3 ASN 98 3HB ASN 98 13.770 23.360 -14.443 43 HD21 ASN 98 1HD2 ASN 98 14.290 23.739 -17.202 44 HD22 ASN 98 2HD2 ASN 98 14.228 25.437 -17.517 45 H SER 99 H SER 99 13.520 22.814 -12.584 46 HA SER 99 HA SER 99 13.164 24.426 -10.213 47 HB2 SER 99 2HB SER 99 11.907 25.913 -11.456 48 HB3 SER 99 3HB SER 99 11.378 24.677 -12.597 49 HG SER 99 HG SER 99 9.793 25.512 -10.990 50 H CYS 100 H CYS 100 11.847 23.456 -8.670 51 HA CYS 100 HA CYS 100 11.214 20.646 -9.224 52 HB2 CYS 100 2HB CYS 100 12.252 22.095 -6.928 53 HB3 CYS 100 3HB CYS 100 10.869 21.095 -6.494 54 H LYS 101 H LYS 101 9.402 20.117 -7.241 55 HA LYS 101 HA LYS 101 7.193 20.205 -6.688 56 HB2 LYS 101 2HB LYS 101 7.950 22.949 -7.002 57 HB3 LYS 101 3HB LYS 101 6.334 22.729 -7.660 58 HG2 LYS 101 2HG LYS 101 5.967 23.287 -5.436 59 HG3 LYS 101 3HG LYS 101 5.804 21.529 -5.462 60 HD2 LYS 101 2HD LYS 101 7.124 22.048 -3.565 61 HD3 LYS 101 3HD LYS 101 8.235 21.417 -4.783 62 HE2 LYS 101 2HE LYS 101 9.089 23.548 -5.265 63 HE3 LYS 101 3HE LYS 101 7.737 24.362 -4.479 64 HZ1 LYS 101 3HZ LYS 101 10.192 23.723 -3.369 65 HZ2 LYS 101 1HZ LYS 101 9.069 22.696 -2.628 66 HZ3 LYS 101 2HZ LYS 101 8.845 24.371 -2.577 67 HA PRO 102 HA PRO 102 6.228 19.228 -11.096 68 HB2 PRO 102 2HB PRO 102 5.309 16.729 -10.567 69 HB3 PRO 102 3HB PRO 102 7.019 17.088 -10.829 70 HG2 PRO 102 2HG PRO 102 5.534 16.719 -8.255 71 HG3 PRO 102 3HG PRO 102 7.129 16.104 -8.724 72 HD2 PRO 102 2HD PRO 102 6.813 18.285 -7.151 73 HD3 PRO 102 3HD PRO 102 8.173 18.110 -8.279 74 H ALA 103 H ALA 103 4.603 20.978 -10.265 75 HA ALA 103 HA ALA 103 1.967 19.718 -9.879 76 HB1 ALA 103 1HB ALA 103 1.313 22.064 -9.085 77 HB2 ALA 103 2HB ALA 103 2.317 21.084 -8.016 78 HB3 ALA 103 3HB ALA 103 3.048 22.367 -8.978 79 H ALA 104 H ALA 104 3.593 22.451 -11.478 80 HA ALA 104 HA ALA 104 1.346 22.869 -13.253 81 HB1 ALA 104 1HB ALA 104 2.648 24.697 -14.168 82 HB2 ALA 104 2HB ALA 104 2.662 24.767 -12.405 83 HB3 ALA 104 3HB ALA 104 4.072 24.160 -13.275 84 H ALA 105 H ALA 105 3.600 20.555 -13.168 85 HA ALA 105 HA ALA 105 4.140 18.958 -14.726 86 HB1 ALA 105 1HB ALA 105 3.049 18.851 -16.713 87 HB2 ALA 105 2HB ALA 105 2.026 20.052 -15.923 88 HB3 ALA 105 3HB ALA 105 3.275 20.566 -17.058 89 H ALA 106 H ALA 106 6.077 20.533 -13.799 90 HA ALA 106 HA ALA 106 7.723 21.077 -16.180 91 HB1 ALA 106 1HB ALA 106 8.223 22.650 -13.710 92 HB2 ALA 106 2HB ALA 106 8.463 23.089 -15.401 93 HB3 ALA 106 3HB ALA 106 6.840 23.092 -14.712 94 H CYS 107 H CYS 107 8.174 18.716 -15.584 95 HA CYS 107 HA CYS 107 10.759 18.467 -14.616 96 HB2 CYS 107 2HB CYS 107 8.827 18.627 -12.507 97 HB3 CYS 107 3HB CYS 107 9.510 17.004 -12.531 98 H CYS 108 H CYS 108 10.456 17.296 -16.656 99 HA CYS 108 HA CYS 108 9.202 14.660 -16.348 100 HB2 CYS 108 2HB CYS 108 9.470 14.516 -18.831 101 HB3 CYS 108 3HB CYS 108 8.449 15.849 -18.302 102 H ASP 109 H ASP 109 11.334 14.598 -14.873 103 HA ASP 109 HA ASP 109 13.379 13.249 -16.508 104 HB2 ASP 109 2HB ASP 109 13.937 15.545 -15.336 105 HB3 ASP 109 3HB ASP 109 14.115 14.529 -13.908 106 HA PRO 110 HA PRO 110 11.685 10.151 -13.574 107 HB2 PRO 110 2HB PRO 110 11.979 8.064 -15.286 108 HB3 PRO 110 3HB PRO 110 10.571 9.132 -15.307 109 HG2 PRO 110 2HG PRO 110 12.998 9.163 -17.059 110 HG3 PRO 110 3HG PRO 110 11.294 9.372 -17.504 111 HD2 PRO 110 2HD PRO 110 12.995 11.461 -17.230 112 HD3 PRO 110 3HD PRO 110 11.265 11.583 -16.853 113 H CYS 111 H CYS 111 14.674 10.761 -15.022 114 HA CYS 111 HA CYS 111 15.970 8.540 -13.596 115 HB2 CYS 111 2HB CYS 111 16.413 9.740 -16.163 116 HB3 CYS 111 3HB CYS 111 17.857 9.945 -15.176 117 H ALA 112 H ALA 112 15.137 11.640 -13.070 118 HA ALA 112 HA ALA 112 17.578 12.229 -11.526 119 HB1 ALA 112 1HB ALA 112 16.924 13.822 -13.388 120 HB2 ALA 112 2HB ALA 112 15.545 14.270 -12.384 121 HB3 ALA 112 3HB ALA 112 17.186 14.537 -11.796 122 H SER 113 H SER 113 16.692 14.137 -9.830 123 HA SER 113 HA SER 113 14.299 13.228 -8.472 124 HB2 SER 113 2HB SER 113 16.128 11.711 -7.662 125 HB3 SER 113 3HB SER 113 16.954 13.131 -7.024 126 HG SER 113 HG SER 113 15.405 11.811 -5.630 127 H CYS 114 H CYS 114 13.554 14.681 -6.873 128 HA CYS 114 HA CYS 114 14.159 17.401 -7.400 129 HB2 CYS 114 2HB CYS 114 11.938 16.442 -6.609 130 HB3 CYS 114 3HB CYS 114 12.650 16.365 -5.001 131 H TYR 115 H TYR 115 16.095 18.199 -6.852 132 HA TYR 115 HA TYR 115 17.131 17.618 -4.158 133 HB2 TYR 115 2HB TYR 115 18.757 16.927 -5.716 134 HB3 TYR 115 3HB TYR 115 18.500 18.335 -6.742 135 HD1 TYR 115 HD2 TYR 115 19.891 17.246 -3.481 136 HD2 TYR 115 HD1 TYR 115 19.776 20.295 -6.446 137 HE1 TYR 115 HE2 TYR 115 21.767 18.386 -2.373 138 HE2 TYR 115 HE1 TYR 115 21.652 21.443 -5.346 139 HH TYR 115 HH TYR 115 22.603 21.509 -2.919 140 H CYS 116 H CYS 116 17.897 19.299 -2.858 141 HA CYS 116 HA CYS 116 17.146 22.015 -3.720 142 HB2 CYS 116 2HB CYS 116 16.838 20.914 -0.920 143 HB3 CYS 116 3HB CYS 116 16.344 22.505 -1.488 144 H ARG 117 H ARG 117 18.319 23.746 -2.677 145 HA ARG 117 HA ARG 117 20.989 22.895 -1.765 146 HB2 ARG 117 2HB ARG 117 21.515 25.357 -2.622 147 HB3 ARG 117 3HB ARG 117 21.537 23.971 -3.704 148 HG2 ARG 117 2HG ARG 117 20.358 25.714 -4.797 149 HG3 ARG 117 3HG ARG 117 19.170 24.506 -4.303 150 HD2 ARG 117 2HD ARG 117 18.063 26.030 -3.128 151 HD3 ARG 117 3HD ARG 117 19.512 26.403 -2.196 152 HE ARG 117 HE ARG 117 19.689 28.332 -3.388 153 HH11 ARG 117 1HH1 ARG 117 17.829 26.057 -5.254 154 HH12 ARG 117 2HH1 ARG 117 17.493 27.180 -6.530 155 HH21 ARG 117 1HH2 ARG 117 19.255 29.819 -5.062 156 HH22 ARG 117 2HH2 ARG 117 18.306 29.319 -6.421 157 H PHE 118 H PHE 118 22.004 25.230 -0.851 158 HA PHE 118 HA PHE 118 21.296 25.439 1.737 159 HB2 PHE 118 2HB PHE 118 22.212 27.660 -0.093 160 HB3 PHE 118 3HB PHE 118 22.116 27.829 1.657 161 HD1 PHE 118 HD1 PHE 118 23.465 26.185 3.073 162 HD2 PHE 118 HD2 PHE 118 24.111 26.775 -1.092 163 HE1 PHE 118 HE1 PHE 118 25.719 25.226 3.292 164 HE2 PHE 118 HE2 PHE 118 26.367 25.814 -0.881 165 HZ PHE 118 HZ PHE 118 27.173 25.037 1.312 166 H PHE 119 H PHE 119 19.997 27.611 -0.777 167 HA PHE 119 HA PHE 119 18.202 29.027 0.751 168 HB2 PHE 119 2HB PHE 119 18.815 29.092 -1.835 169 HB3 PHE 119 3HB PHE 119 17.320 28.172 -1.967 170 HD1 PHE 119 HD1 PHE 119 18.411 31.092 0.089 171 HD2 PHE 119 HD2 PHE 119 15.578 29.488 -2.652 172 HE1 PHE 119 HE1 PHE 119 17.120 33.183 0.205 173 HE2 PHE 119 HE2 PHE 119 14.283 31.577 -2.541 174 HZ PHE 119 HZ PHE 119 15.053 33.428 -1.112 175 H ARG 120 H ARG 120 17.633 25.949 -0.932 176 HA ARG 120 HA ARG 120 16.100 24.299 -0.609 177 HB2 ARG 120 2HB ARG 120 16.458 25.501 2.038 178 HB3 ARG 120 3HB ARG 120 14.900 24.711 1.833 179 HG2 ARG 120 2HG ARG 120 17.272 23.204 0.926 180 HG3 ARG 120 3HG ARG 120 17.089 23.436 2.667 181 HD2 ARG 120 2HD ARG 120 14.875 22.397 0.915 182 HD3 ARG 120 3HD ARG 120 16.052 21.340 1.693 183 HE ARG 120 HE ARG 120 14.754 23.140 3.514 184 HH11 ARG 120 1HH1 ARG 120 14.525 20.074 1.882 185 HH12 ARG 120 2HH1 ARG 120 13.462 19.378 3.060 186 HH21 ARG 120 1HH2 ARG 120 13.355 22.235 5.072 187 HH22 ARG 120 2HH2 ARG 120 12.797 20.609 4.875 188 H SER 121 H SER 121 15.375 27.182 -1.442 189 HA SER 121 HA SER 121 12.459 26.875 -1.133 190 HB2 SER 121 2HB SER 121 14.028 29.048 -0.376 191 HB3 SER 121 3HB SER 121 13.311 29.549 -1.908 192 HG SER 121 HG SER 121 12.068 28.898 0.518 193 H ALA 122 H ALA 122 15.085 26.990 -3.283 194 HA ALA 122 HA ALA 122 13.236 27.210 -5.569 195 HB1 ALA 122 1HB ALA 122 15.941 28.397 -5.160 196 HB2 ALA 122 2HB ALA 122 15.428 27.954 -6.789 197 HB3 ALA 122 3HB ALA 122 14.488 29.116 -5.853 198 H CYS 123 H CYS 123 13.575 24.771 -4.450 199 HA CYS 123 HA CYS 123 15.724 23.220 -5.309 200 HB2 CYS 123 2HB CYS 123 12.864 22.281 -5.026 201 HB3 CYS 123 3HB CYS 123 14.319 21.296 -4.907 202 H TYR 124 H TYR 124 15.724 21.536 -6.989 203 HA TYR 124 HA TYR 124 14.004 21.968 -9.283 204 HB2 TYR 124 2HB TYR 124 16.262 22.040 -10.685 205 HB3 TYR 124 3HB TYR 124 15.501 23.508 -10.080 206 HD1 TYR 124 HD2 TYR 124 18.068 20.967 -9.152 207 HD2 TYR 124 HD1 TYR 124 16.740 24.993 -8.791 208 HE1 TYR 124 HE2 TYR 124 20.136 21.535 -7.948 209 HE2 TYR 124 HE1 TYR 124 18.805 25.573 -7.588 210 HH TYR 124 HH TYR 124 20.760 23.468 -6.171 211 H CYS 125 H CYS 125 14.456 20.375 -11.028 212 HA CYS 125 HA CYS 125 14.781 17.773 -9.895 213 HB2 CYS 125 2HB CYS 125 14.073 18.890 -12.555 214 HB3 CYS 125 3HB CYS 125 14.736 17.259 -12.532 215 H ARG 126 H ARG 126 16.853 17.482 -9.160 216 HA ARG 126 HA ARG 126 19.008 17.670 -11.157 217 HB2 ARG 126 2HB ARG 126 19.095 18.993 -8.930 218 HB3 ARG 126 3HB ARG 126 19.460 17.436 -8.196 219 HG2 ARG 126 2HG ARG 126 21.452 17.214 -9.504 220 HG3 ARG 126 3HG ARG 126 21.049 18.654 -10.441 221 HD2 ARG 126 2HD ARG 126 21.005 19.741 -8.016 222 HD3 ARG 126 3HD ARG 126 22.114 18.412 -7.683 223 HE ARG 126 HE ARG 126 22.631 20.747 -9.286 224 HH11 ARG 126 1HH1 ARG 126 23.551 17.458 -8.608 225 HH12 ARG 126 2HH1 ARG 126 25.161 17.645 -9.221 226 HH21 ARG 126 1HH2 ARG 126 24.747 21.004 -10.096 227 HH22 ARG 126 2HH2 ARG 126 25.841 19.662 -10.067 228 H VAL 127 H VAL 127 20.111 15.889 -11.736 229 HA VAL 127 HA VAL 127 19.111 13.325 -10.945 230 HB VAL 127 HB VAL 127 20.992 12.463 -12.408 231 HG11 VAL 127 1HG1 VAL 127 18.811 12.631 -13.332 232 HG12 VAL 127 2HG1 VAL 127 18.943 14.384 -13.493 233 HG13 VAL 127 3HG1 VAL 127 19.920 13.327 -14.513 234 HG21 VAL 127 3HG2 VAL 127 21.387 15.017 -13.721 235 HG22 VAL 127 1HG2 VAL 127 21.987 15.026 -12.063 236 HG23 VAL 127 2HG2 VAL 127 22.573 13.818 -13.207 237 H LEU 128 H LEU 128 19.556 12.898 -8.821 238 HA LEU 128 HA LEU 128 22.303 13.144 -7.865 239 HB2 LEU 128 2HB LEU 128 19.647 12.714 -6.573 240 HB3 LEU 128 3HB LEU 128 21.113 12.243 -5.715 241 HG LEU 128 HG LEU 128 20.284 14.466 -5.052 242 HD11 LEU 128 1HD1 LEU 128 22.810 15.058 -6.479 243 HD12 LEU 128 2HD1 LEU 128 22.814 13.706 -5.347 244 HD13 LEU 128 3HD1 LEU 128 22.369 15.320 -4.792 245 HD21 LEU 128 3HD2 LEU 128 19.292 15.176 -7.142 246 HD22 LEU 128 1HD2 LEU 128 20.875 15.187 -7.920 247 HD23 LEU 128 2HD2 LEU 128 20.517 16.341 -6.635 248 H SER 129 H SER 129 21.391 11.100 -9.845 249 HA SER 129 HA SER 129 21.834 8.629 -8.329 250 HB2 SER 129 2HB SER 129 19.927 8.959 -10.069 251 HB3 SER 129 3HB SER 129 21.201 8.723 -11.266 252 HG SER 129 HG SER 129 20.862 6.681 -10.927 253 H LEU 130 H LEU 130 23.060 10.398 -11.150 254 HA LEU 130 HA LEU 130 25.087 10.409 -12.181 255 HB2 LEU 130 2HB LEU 130 26.139 9.014 -9.732 256 HB3 LEU 130 3HB LEU 130 27.044 9.992 -10.887 257 HG LEU 130 HG LEU 130 24.914 11.088 -9.056 258 HD11 LEU 130 1HD1 LEU 130 26.502 10.529 -7.509 259 HD12 LEU 130 2HD1 LEU 130 27.096 12.112 -8.010 260 HD13 LEU 130 3HD1 LEU 130 27.831 10.649 -8.664 261 HD21 LEU 130 3HD2 LEU 130 26.998 12.849 -10.084 262 HD22 LEU 130 1HD2 LEU 130 25.250 13.070 -10.032 263 HD23 LEU 130 2HD2 LEU 130 25.983 12.152 -11.347 264 H ASN 131 H ASN 131 23.249 8.012 -12.220 265 HA ASN 131 HA ASN 131 25.227 6.055 -13.193 266 HB2 ASN 131 2HB ASN 131 22.632 5.645 -11.728 267 HB3 ASN 131 3HB ASN 131 23.311 4.372 -12.738 268 HD21 ASN 131 1HD2 ASN 131 24.942 3.162 -11.976 269 HD22 ASN 131 2HD2 ASN 131 25.683 3.377 -10.431 270 H CYS 132 H CYS 132 22.150 7.646 -13.729 271 HA CYS 132 HA CYS 132 21.290 6.255 -15.993 272 HB2 CYS 132 2HB CYS 132 20.072 8.055 -14.596 273 HB3 CYS 132 3HB CYS 132 20.871 9.215 -15.651 Start of MODEL 6 1 H CYS 93 H CYS 93 8.947 20.587 -20.770 2 HA CYS 93 HA CYS 93 7.732 21.126 -18.245 3 HB2 CYS 93 2HB CYS 93 8.525 18.821 -17.316 4 HB3 CYS 93 3HB CYS 93 6.965 18.935 -18.123 5 H VAL 94 H VAL 94 9.472 20.323 -16.451 6 HA VAL 94 HA VAL 94 11.792 21.871 -16.982 7 HB VAL 94 HB VAL 94 10.943 20.126 -14.695 8 HG11 VAL 94 1HG1 VAL 94 13.192 19.652 -14.556 9 HG12 VAL 94 2HG1 VAL 94 13.671 21.199 -15.256 10 HG13 VAL 94 3HG1 VAL 94 13.088 21.124 -13.593 11 HG21 VAL 94 3HG2 VAL 94 9.964 22.337 -14.835 12 HG22 VAL 94 1HG2 VAL 94 11.079 22.262 -13.471 13 HG23 VAL 94 2HG2 VAL 94 11.563 23.066 -14.964 14 H ALA 95 H ALA 95 13.684 21.302 -17.831 15 HA ALA 95 HA ALA 95 14.107 18.645 -18.800 16 HB1 ALA 95 1HB ALA 95 15.175 19.955 -20.266 17 HB2 ALA 95 2HB ALA 95 15.388 21.256 -19.093 18 HB3 ALA 95 3HB ALA 95 16.512 19.898 -19.117 19 H THR 96 H THR 96 16.230 20.643 -16.744 20 HA THR 96 HA THR 96 16.521 18.567 -14.785 21 HB THR 96 HB THR 96 19.028 19.243 -16.313 22 HG1 THR 96 HG1 THR 96 18.545 17.746 -17.733 23 HG21 THR 96 3HG2 THR 96 18.596 18.030 -13.861 24 HG22 THR 96 1HG2 THR 96 20.071 17.941 -14.822 25 HG23 THR 96 2HG2 THR 96 18.850 16.676 -14.962 26 H ARG 97 H ARG 97 17.440 19.302 -12.890 27 HA ARG 97 HA ARG 97 17.706 20.972 -11.324 28 HB2 ARG 97 2HB ARG 97 19.884 21.995 -11.466 29 HB3 ARG 97 3HB ARG 97 19.997 20.346 -12.065 30 HG2 ARG 97 2HG ARG 97 19.494 22.472 -14.060 31 HG3 ARG 97 3HG ARG 97 21.095 22.412 -13.322 32 HD2 ARG 97 2HD ARG 97 20.447 19.762 -13.961 33 HD3 ARG 97 3HD ARG 97 19.952 20.725 -15.353 34 HE ARG 97 HE ARG 97 22.627 20.168 -14.508 35 HH11 ARG 97 1HH1 ARG 97 20.602 22.480 -16.146 36 HH12 ARG 97 2HH1 ARG 97 21.897 23.142 -17.089 37 HH21 ARG 97 1HH2 ARG 97 24.339 21.031 -15.743 38 HH22 ARG 97 2HH2 ARG 97 24.022 22.316 -16.859 39 H ASN 98 H ASN 98 15.718 21.734 -13.110 40 HA ASN 98 HA ASN 98 16.281 24.547 -13.719 41 HB2 ASN 98 2HB ASN 98 15.193 22.843 -15.379 42 HB3 ASN 98 3HB ASN 98 13.726 23.157 -14.456 43 HD21 ASN 98 1HD2 ASN 98 14.588 23.801 -17.250 44 HD22 ASN 98 2HD2 ASN 98 14.298 25.496 -17.413 45 H SER 99 H SER 99 13.417 22.762 -12.560 46 HA SER 99 HA SER 99 13.230 24.401 -10.198 47 HB2 SER 99 2HB SER 99 12.229 25.933 -11.795 48 HB3 SER 99 3HB SER 99 11.163 24.663 -12.396 49 HG SER 99 HG SER 99 9.902 24.911 -10.712 50 H CYS 100 H CYS 100 11.812 23.572 -8.657 51 HA CYS 100 HA CYS 100 10.910 20.838 -9.212 52 HB2 CYS 100 2HB CYS 100 12.099 22.161 -6.933 53 HB3 CYS 100 3HB CYS 100 10.588 21.381 -6.477 54 H LYS 101 H LYS 101 9.023 20.461 -7.291 55 HA LYS 101 HA LYS 101 6.798 20.673 -6.867 56 HB2 LYS 101 2HB LYS 101 7.288 23.591 -7.491 57 HB3 LYS 101 3HB LYS 101 5.868 22.939 -6.683 58 HG2 LYS 101 2HG LYS 101 6.943 23.397 -4.790 59 HG3 LYS 101 3HG LYS 101 7.921 21.972 -5.148 60 HD2 LYS 101 2HD LYS 101 9.487 23.463 -6.404 61 HD3 LYS 101 3HD LYS 101 8.558 24.843 -5.813 62 HE2 LYS 101 2HE LYS 101 8.999 23.985 -3.482 63 HE3 LYS 101 3HE LYS 101 10.134 22.846 -4.203 64 HZ1 LYS 101 3HZ LYS 101 11.564 24.523 -3.793 65 HZ2 LYS 101 1HZ LYS 101 10.373 25.723 -3.837 66 HZ3 LYS 101 2HZ LYS 101 11.000 25.100 -5.279 67 HA PRO 102 HA PRO 102 5.947 20.553 -11.424 68 HB2 PRO 102 2HB PRO 102 4.906 18.046 -11.397 69 HB3 PRO 102 3HB PRO 102 6.636 18.367 -11.563 70 HG2 PRO 102 2HG PRO 102 5.080 17.585 -9.128 71 HG3 PRO 102 3HG PRO 102 6.656 16.995 -9.685 72 HD2 PRO 102 2HD PRO 102 6.403 18.847 -7.726 73 HD3 PRO 102 3HD PRO 102 7.778 18.826 -8.849 74 H ALA 103 H ALA 103 4.355 22.199 -10.699 75 HA ALA 103 HA ALA 103 1.936 21.724 -9.480 76 HB1 ALA 103 1HB ALA 103 2.535 23.959 -9.943 77 HB2 ALA 103 2HB ALA 103 2.661 23.646 -11.675 78 HB3 ALA 103 3HB ALA 103 1.081 23.641 -10.891 79 H ALA 104 H ALA 104 2.750 21.338 -12.911 80 HA ALA 104 HA ALA 104 0.454 19.540 -13.188 81 HB1 ALA 104 1HB ALA 104 -0.451 21.566 -14.018 82 HB2 ALA 104 2HB ALA 104 1.010 21.922 -14.941 83 HB3 ALA 104 3HB ALA 104 -0.037 20.588 -15.426 84 H ALA 105 H ALA 105 3.447 20.815 -14.571 85 HA ALA 105 HA ALA 105 4.454 18.249 -15.183 86 HB1 ALA 105 1HB ALA 105 4.508 18.620 -17.712 87 HB2 ALA 105 2HB ALA 105 2.985 18.091 -16.998 88 HB3 ALA 105 3HB ALA 105 3.210 19.783 -17.442 89 H ALA 106 H ALA 106 5.930 19.662 -13.833 90 HA ALA 106 HA ALA 106 7.846 20.975 -15.631 91 HB1 ALA 106 1HB ALA 106 6.864 22.862 -14.700 92 HB2 ALA 106 2HB ALA 106 6.658 22.098 -13.123 93 HB3 ALA 106 3HB ALA 106 8.265 22.589 -13.662 94 H CYS 107 H CYS 107 8.185 18.403 -14.928 95 HA CYS 107 HA CYS 107 10.708 18.347 -13.740 96 HB2 CYS 107 2HB CYS 107 8.832 18.673 -11.778 97 HB3 CYS 107 3HB CYS 107 8.986 16.919 -11.827 98 H CYS 108 H CYS 108 9.847 17.258 -16.011 99 HA CYS 108 HA CYS 108 9.186 14.458 -15.579 100 HB2 CYS 108 2HB CYS 108 9.115 14.338 -18.051 101 HB3 CYS 108 3HB CYS 108 8.069 15.601 -17.410 102 H ASP 109 H ASP 109 11.867 15.898 -14.988 103 HA ASP 109 HA ASP 109 13.852 14.875 -16.669 104 HB2 ASP 109 2HB ASP 109 14.024 16.605 -14.747 105 HB3 ASP 109 3HB ASP 109 14.267 15.203 -13.710 106 HA PRO 110 HA PRO 110 13.288 10.545 -15.664 107 HB2 PRO 110 2HB PRO 110 15.075 9.639 -17.497 108 HB3 PRO 110 3HB PRO 110 13.435 10.143 -17.922 109 HG2 PRO 110 2HG PRO 110 16.005 11.661 -18.157 110 HG3 PRO 110 3HG PRO 110 14.664 11.546 -19.311 111 HD2 PRO 110 2HD PRO 110 15.000 13.678 -17.677 112 HD3 PRO 110 3HD PRO 110 13.397 13.110 -18.190 113 H CYS 111 H CYS 111 14.293 9.354 -14.162 114 HA CYS 111 HA CYS 111 15.884 8.534 -12.756 115 HB2 CYS 111 2HB CYS 111 17.119 8.266 -14.996 116 HB3 CYS 111 3HB CYS 111 18.005 9.718 -14.538 117 H ALA 112 H ALA 112 15.051 11.545 -12.996 118 HA ALA 112 HA ALA 112 17.122 12.602 -11.187 119 HB1 ALA 112 1HB ALA 112 15.276 14.600 -12.139 120 HB2 ALA 112 2HB ALA 112 17.032 14.525 -12.296 121 HB3 ALA 112 3HB ALA 112 16.004 13.721 -13.484 122 H SER 113 H SER 113 16.477 13.763 -9.322 123 HA SER 113 HA SER 113 13.694 13.320 -8.473 124 HB2 SER 113 2HB SER 113 15.601 11.769 -7.484 125 HB3 SER 113 3HB SER 113 15.884 13.166 -6.445 126 HG SER 113 HG SER 113 14.371 11.674 -5.554 127 H CYS 114 H CYS 114 12.981 14.745 -6.733 128 HA CYS 114 HA CYS 114 13.675 17.442 -7.240 129 HB2 CYS 114 2HB CYS 114 11.441 16.492 -6.391 130 HB3 CYS 114 3HB CYS 114 12.189 16.498 -4.797 131 H TYR 115 H TYR 115 15.739 18.006 -6.772 132 HA TYR 115 HA TYR 115 16.724 17.480 -4.051 133 HB2 TYR 115 2HB TYR 115 18.298 16.605 -5.555 134 HB3 TYR 115 3HB TYR 115 18.123 17.956 -6.670 135 HD1 TYR 115 HD2 TYR 115 19.661 16.825 -3.533 136 HD2 TYR 115 HD1 TYR 115 19.341 20.011 -6.334 137 HE1 TYR 115 HE2 TYR 115 21.620 17.909 -2.514 138 HE2 TYR 115 HE1 TYR 115 21.301 21.104 -5.325 139 HH TYR 115 HH TYR 115 22.398 20.686 -2.523 140 H CYS 116 H CYS 116 17.513 19.136 -2.777 141 HA CYS 116 HA CYS 116 16.981 21.867 -3.751 142 HB2 CYS 116 2HB CYS 116 16.669 20.866 -0.914 143 HB3 CYS 116 3HB CYS 116 16.302 22.486 -1.498 144 H ARG 117 H ARG 117 18.275 23.559 -2.754 145 HA ARG 117 HA ARG 117 20.938 22.571 -1.968 146 HB2 ARG 117 2HB ARG 117 21.532 25.027 -2.790 147 HB3 ARG 117 3HB ARG 117 21.429 23.674 -3.909 148 HG2 ARG 117 2HG ARG 117 20.287 25.547 -4.858 149 HG3 ARG 117 3HG ARG 117 19.092 24.328 -4.410 150 HD2 ARG 117 2HD ARG 117 18.198 25.613 -2.764 151 HD3 ARG 117 3HD ARG 117 19.739 26.377 -2.377 152 HE ARG 117 HE ARG 117 17.740 27.389 -4.109 153 HH11 ARG 117 1HH1 ARG 117 21.193 27.165 -3.727 154 HH12 ARG 117 2HH1 ARG 117 21.517 28.612 -4.623 155 HH21 ARG 117 1HH2 ARG 117 18.154 29.296 -5.290 156 HH22 ARG 117 2HH2 ARG 117 19.787 29.825 -5.510 157 H PHE 118 H PHE 118 22.113 24.798 -1.027 158 HA PHE 118 HA PHE 118 21.473 24.973 1.596 159 HB2 PHE 118 2HB PHE 118 22.588 27.143 -0.185 160 HB3 PHE 118 3HB PHE 118 22.533 27.265 1.570 161 HD1 PHE 118 HD2 PHE 118 23.727 25.451 2.915 162 HD2 PHE 118 HD1 PHE 118 24.371 26.097 -1.242 163 HE1 PHE 118 HE2 PHE 118 25.874 24.260 3.066 164 HE2 PHE 118 HE1 PHE 118 26.518 24.907 -1.098 165 HZ PHE 118 HZ PHE 118 27.273 23.986 1.058 166 H PHE 119 H PHE 119 20.381 27.345 -0.834 167 HA PHE 119 HA PHE 119 18.765 28.904 0.738 168 HB2 PHE 119 2HB PHE 119 19.311 28.891 -1.880 169 HB3 PHE 119 3HB PHE 119 17.697 28.190 -1.945 170 HD1 PHE 119 HD2 PHE 119 19.308 30.938 0.005 171 HD2 PHE 119 HD1 PHE 119 16.095 29.720 -2.507 172 HE1 PHE 119 HE2 PHE 119 18.328 33.189 0.172 173 HE2 PHE 119 HE1 PHE 119 15.111 31.969 -2.345 174 HZ PHE 119 HZ PHE 119 16.227 33.707 -1.003 175 H ARG 120 H ARG 120 17.916 25.851 -0.848 176 HA ARG 120 HA ARG 120 16.250 24.351 -0.469 177 HB2 ARG 120 2HB ARG 120 16.685 25.641 2.117 178 HB3 ARG 120 3HB ARG 120 15.050 25.019 1.929 179 HG2 ARG 120 2HG ARG 120 17.493 23.357 1.387 180 HG3 ARG 120 3HG ARG 120 16.728 23.458 2.975 181 HD2 ARG 120 2HD ARG 120 15.058 22.805 0.592 182 HD3 ARG 120 3HD ARG 120 16.085 21.553 1.290 183 HE ARG 120 HE ARG 120 13.635 22.513 2.342 184 HH11 ARG 120 1HH1 ARG 120 16.791 21.393 3.294 185 HH12 ARG 120 2HH1 ARG 120 16.263 20.816 4.839 186 HH21 ARG 120 1HH2 ARG 120 12.928 21.757 4.374 187 HH22 ARG 120 2HH2 ARG 120 14.066 21.022 5.453 188 H SER 121 H SER 121 15.783 27.238 -1.460 189 HA SER 121 HA SER 121 12.847 27.194 -1.196 190 HB2 SER 121 2HB SER 121 14.590 29.268 -0.541 191 HB3 SER 121 3HB SER 121 13.927 29.736 -2.106 192 HG SER 121 HG SER 121 11.911 29.732 -1.268 193 H ALA 122 H ALA 122 15.500 26.952 -3.299 194 HA ALA 122 HA ALA 122 13.701 27.155 -5.624 195 HB1 ALA 122 1HB ALA 122 15.014 28.959 -6.076 196 HB2 ALA 122 2HB ALA 122 16.405 28.307 -5.208 197 HB3 ALA 122 3HB ALA 122 16.003 27.700 -6.814 198 H CYS 123 H CYS 123 13.545 24.792 -4.858 199 HA CYS 123 HA CYS 123 15.771 23.087 -5.482 200 HB2 CYS 123 2HB CYS 123 12.899 22.237 -5.109 201 HB3 CYS 123 3HB CYS 123 14.350 21.271 -4.868 202 H TYR 124 H TYR 124 15.523 21.259 -7.045 203 HA TYR 124 HA TYR 124 13.749 21.627 -9.278 204 HB2 TYR 124 2HB TYR 124 15.887 21.689 -10.832 205 HB3 TYR 124 3HB TYR 124 15.183 23.172 -10.199 206 HD1 TYR 124 HD1 TYR 124 17.579 20.593 -8.920 207 HD2 TYR 124 HD2 TYR 124 16.753 24.719 -9.550 208 HE1 TYR 124 HE1 TYR 124 19.739 21.175 -7.898 209 HE2 TYR 124 HE2 TYR 124 18.912 25.313 -8.532 210 HH TYR 124 HH TYR 124 21.376 23.363 -8.177 211 H CYS 125 H CYS 125 14.167 19.976 -10.997 212 HA CYS 125 HA CYS 125 14.547 17.424 -9.785 213 HB2 CYS 125 2HB CYS 125 13.678 18.462 -12.393 214 HB3 CYS 125 3HB CYS 125 14.532 16.924 -12.481 215 H ARG 126 H ARG 126 16.635 17.194 -9.061 216 HA ARG 126 HA ARG 126 18.765 17.330 -11.088 217 HB2 ARG 126 2HB ARG 126 18.886 18.729 -8.926 218 HB3 ARG 126 3HB ARG 126 19.217 17.203 -8.116 219 HG2 ARG 126 2HG ARG 126 21.353 17.371 -8.654 220 HG3 ARG 126 3HG ARG 126 20.932 17.389 -10.368 221 HD2 ARG 126 2HD ARG 126 20.314 19.928 -9.677 222 HD3 ARG 126 3HD ARG 126 21.641 19.605 -8.561 223 HE ARG 126 HE ARG 126 22.192 18.880 -11.294 224 HH11 ARG 126 1HH1 ARG 126 22.288 21.415 -8.910 225 HH12 ARG 126 2HH1 ARG 126 23.535 22.306 -9.718 226 HH21 ARG 126 1HH2 ARG 126 23.833 20.043 -12.367 227 HH22 ARG 126 2HH2 ARG 126 24.413 21.525 -11.685 228 H VAL 127 H VAL 127 19.876 15.542 -11.628 229 HA VAL 127 HA VAL 127 18.927 12.996 -10.666 230 HB VAL 127 HB VAL 127 20.662 12.079 -12.264 231 HG11 VAL 127 1HG1 VAL 127 19.375 12.687 -14.261 232 HG12 VAL 127 2HG1 VAL 127 18.322 12.322 -12.892 233 HG13 VAL 127 3HG1 VAL 127 18.610 13.997 -13.363 234 HG21 VAL 127 3HG2 VAL 127 20.956 14.490 -13.787 235 HG22 VAL 127 1HG2 VAL 127 21.597 14.725 -12.161 236 HG23 VAL 127 2HG2 VAL 127 22.200 13.406 -13.165 237 H LEU 128 H LEU 128 19.586 12.558 -8.622 238 HA LEU 128 HA LEU 128 22.381 12.958 -7.891 239 HB2 LEU 128 2HB LEU 128 20.163 11.885 -6.167 240 HB3 LEU 128 3HB LEU 128 21.714 12.537 -5.644 241 HG LEU 128 HG LEU 128 20.171 14.484 -7.141 242 HD11 LEU 128 1HD1 LEU 128 18.715 14.666 -4.869 243 HD12 LEU 128 2HD1 LEU 128 18.803 12.916 -5.068 244 HD13 LEU 128 3HD1 LEU 128 18.144 13.918 -6.361 245 HD21 LEU 128 3HD2 LEU 128 21.236 15.867 -5.750 246 HD22 LEU 128 1HD2 LEU 128 22.130 14.446 -5.211 247 HD23 LEU 128 2HD2 LEU 128 20.703 14.980 -4.321 248 H SER 129 H SER 129 21.361 10.841 -9.781 249 HA SER 129 HA SER 129 22.021 8.396 -8.328 250 HB2 SER 129 2HB SER 129 20.106 8.753 -10.126 251 HB3 SER 129 3HB SER 129 21.415 8.402 -11.254 252 HG SER 129 HG SER 129 19.989 6.681 -9.863 253 H LEU 130 H LEU 130 23.334 10.576 -10.705 254 HA LEU 130 HA LEU 130 25.348 10.701 -11.752 255 HB2 LEU 130 2HB LEU 130 26.298 8.866 -9.561 256 HB3 LEU 130 3HB LEU 130 27.281 9.957 -10.536 257 HG LEU 130 HG LEU 130 25.118 11.088 -8.816 258 HD11 LEU 130 1HD1 LEU 130 27.493 9.657 -7.871 259 HD12 LEU 130 2HD1 LEU 130 26.020 10.111 -7.014 260 HD13 LEU 130 3HD1 LEU 130 27.314 11.289 -7.227 261 HD21 LEU 130 3HD2 LEU 130 27.697 11.996 -10.023 262 HD22 LEU 130 1HD2 LEU 130 27.041 12.825 -8.610 263 HD23 LEU 130 2HD2 LEU 130 26.098 12.738 -10.099 264 H ASN 131 H ASN 131 23.477 8.436 -12.333 265 HA ASN 131 HA ASN 131 25.440 6.646 -13.609 266 HB2 ASN 131 2HB ASN 131 22.807 6.008 -12.297 267 HB3 ASN 131 3HB ASN 131 23.501 4.939 -13.511 268 HD21 ASN 131 1HD2 ASN 131 22.992 4.448 -10.697 269 HD22 ASN 131 2HD2 ASN 131 24.514 4.026 -9.996 270 H CYS 132 H CYS 132 22.386 8.353 -13.869 271 HA CYS 132 HA CYS 132 22.118 7.580 -16.675 272 HB2 CYS 132 2HB CYS 132 20.248 9.309 -15.050 273 HB3 CYS 132 3HB CYS 132 19.907 8.507 -16.580 Start of MODEL 7 1 H CYS 93 H CYS 93 9.028 20.424 -21.028 2 HA CYS 93 HA CYS 93 8.001 21.188 -18.376 3 HB2 CYS 93 2HB CYS 93 8.978 18.884 -17.662 4 HB3 CYS 93 3HB CYS 93 7.394 18.941 -18.429 5 H VAL 94 H VAL 94 9.858 20.370 -16.709 6 HA VAL 94 HA VAL 94 12.103 22.058 -17.310 7 HB VAL 94 HB VAL 94 11.221 20.492 -14.924 8 HG11 VAL 94 1HG1 VAL 94 13.441 19.880 -14.760 9 HG12 VAL 94 2HG1 VAL 94 14.016 21.363 -15.524 10 HG13 VAL 94 3HG1 VAL 94 13.419 21.398 -13.864 11 HG21 VAL 94 3HG2 VAL 94 12.007 23.363 -15.408 12 HG22 VAL 94 1HG2 VAL 94 10.379 22.732 -15.170 13 HG23 VAL 94 2HG2 VAL 94 11.538 22.705 -13.841 14 H ALA 95 H ALA 95 14.072 21.491 -18.006 15 HA ALA 95 HA ALA 95 14.539 18.814 -18.906 16 HB1 ALA 95 1HB ALA 95 15.408 20.537 -20.266 17 HB2 ALA 95 2HB ALA 95 16.228 21.302 -18.906 18 HB3 ALA 95 3HB ALA 95 16.804 19.755 -19.526 19 H THR 96 H THR 96 16.546 20.867 -16.787 20 HA THR 96 HA THR 96 16.764 18.835 -14.779 21 HB THR 96 HB THR 96 19.353 19.478 -16.171 22 HG1 THR 96 HG1 THR 96 18.893 18.065 -17.670 23 HG21 THR 96 3HG2 THR 96 18.631 18.104 -13.805 24 HG22 THR 96 1HG2 THR 96 20.233 18.268 -14.521 25 HG23 THR 96 2HG2 THR 96 19.209 16.899 -14.954 26 H ARG 97 H ARG 97 17.685 19.592 -12.873 27 HA ARG 97 HA ARG 97 17.918 21.273 -11.319 28 HB2 ARG 97 2HB ARG 97 20.056 22.347 -11.458 29 HB3 ARG 97 3HB ARG 97 20.225 20.724 -12.112 30 HG2 ARG 97 2HG ARG 97 19.606 22.860 -14.052 31 HG3 ARG 97 3HG ARG 97 21.204 22.905 -13.307 32 HD2 ARG 97 2HD ARG 97 21.858 20.932 -14.265 33 HD3 ARG 97 3HD ARG 97 20.213 20.306 -14.354 34 HE ARG 97 HE ARG 97 19.971 21.299 -16.413 35 HH11 ARG 97 1HH1 ARG 97 22.858 22.484 -14.870 36 HH12 ARG 97 2HH1 ARG 97 23.443 23.290 -16.288 37 HH21 ARG 97 1HH2 ARG 97 20.730 22.357 -18.287 38 HH22 ARG 97 2HH2 ARG 97 22.230 23.218 -18.230 39 H ASN 98 H ASN 98 15.908 21.941 -13.155 40 HA ASN 98 HA ASN 98 16.354 24.779 -13.741 41 HB2 ASN 98 2HB ASN 98 15.270 22.909 -15.332 42 HB3 ASN 98 3HB ASN 98 13.809 23.449 -14.509 43 HD21 ASN 98 1HD2 ASN 98 14.812 23.741 -17.307 44 HD22 ASN 98 2HD2 ASN 98 14.711 25.434 -17.634 45 H SER 99 H SER 99 13.592 22.841 -12.577 46 HA SER 99 HA SER 99 13.291 24.513 -10.248 47 HB2 SER 99 2HB SER 99 12.190 25.845 -12.052 48 HB3 SER 99 3HB SER 99 11.082 24.499 -12.317 49 HG SER 99 HG SER 99 10.330 26.215 -10.872 50 H CYS 100 H CYS 100 11.914 23.628 -8.691 51 HA CYS 100 HA CYS 100 11.241 20.816 -9.165 52 HB2 CYS 100 2HB CYS 100 12.231 22.336 -6.889 53 HB3 CYS 100 3HB CYS 100 10.841 21.343 -6.465 54 H LYS 101 H LYS 101 9.375 20.380 -7.210 55 HA LYS 101 HA LYS 101 7.159 20.536 -6.697 56 HB2 LYS 101 2HB LYS 101 7.089 23.251 -7.996 57 HB3 LYS 101 3HB LYS 101 6.068 22.635 -6.703 58 HG2 LYS 101 2HG LYS 101 8.988 23.341 -6.508 59 HG3 LYS 101 3HG LYS 101 7.631 24.231 -5.814 60 HD2 LYS 101 2HD LYS 101 7.104 22.325 -4.382 61 HD3 LYS 101 3HD LYS 101 8.437 21.412 -5.093 62 HE2 LYS 101 2HE LYS 101 9.012 22.404 -2.907 63 HE3 LYS 101 3HE LYS 101 10.039 22.989 -4.214 64 HZ1 LYS 101 3HZ LYS 101 7.651 24.475 -3.287 65 HZ2 LYS 101 1HZ LYS 101 8.922 25.040 -4.252 66 HZ3 LYS 101 2HZ LYS 101 9.184 24.711 -2.614 67 HA PRO 102 HA PRO 102 6.315 19.382 -11.105 68 HB2 PRO 102 2HB PRO 102 5.501 16.857 -10.525 69 HB3 PRO 102 3HB PRO 102 7.197 17.285 -10.786 70 HG2 PRO 102 2HG PRO 102 5.713 16.909 -8.213 71 HG3 PRO 102 3HG PRO 102 7.336 16.353 -8.660 72 HD2 PRO 102 2HD PRO 102 6.918 18.551 -7.138 73 HD3 PRO 102 3HD PRO 102 8.290 18.411 -8.254 74 H ALA 103 H ALA 103 4.614 21.083 -10.268 75 HA ALA 103 HA ALA 103 2.025 19.701 -9.982 76 HB1 ALA 103 1HB ALA 103 2.339 20.951 -8.012 77 HB2 ALA 103 2HB ALA 103 2.942 22.350 -8.899 78 HB3 ALA 103 3HB ALA 103 1.239 21.907 -9.005 79 H ALA 104 H ALA 104 3.639 22.531 -11.395 80 HA ALA 104 HA ALA 104 1.401 23.073 -13.145 81 HB1 ALA 104 1HB ALA 104 2.716 24.934 -13.954 82 HB2 ALA 104 2HB ALA 104 2.754 24.899 -12.190 83 HB3 ALA 104 3HB ALA 104 4.143 24.327 -13.114 84 H ALA 105 H ALA 105 3.620 20.727 -13.188 85 HA ALA 105 HA ALA 105 4.144 19.210 -14.830 86 HB1 ALA 105 1HB ALA 105 3.139 19.270 -16.899 87 HB2 ALA 105 2HB ALA 105 2.025 20.251 -15.946 88 HB3 ALA 105 3HB ALA 105 3.205 21.031 -17.000 89 H ALA 106 H ALA 106 6.129 20.622 -13.843 90 HA ALA 106 HA ALA 106 7.785 21.243 -16.188 91 HB1 ALA 106 1HB ALA 106 8.265 22.831 -13.730 92 HB2 ALA 106 2HB ALA 106 8.491 23.267 -15.425 93 HB3 ALA 106 3HB ALA 106 6.873 23.261 -14.723 94 H CYS 107 H CYS 107 8.199 18.875 -15.542 95 HA CYS 107 HA CYS 107 10.777 18.624 -14.557 96 HB2 CYS 107 2HB CYS 107 8.849 18.859 -12.459 97 HB3 CYS 107 3HB CYS 107 9.489 17.220 -12.448 98 H CYS 108 H CYS 108 10.642 17.358 -16.494 99 HA CYS 108 HA CYS 108 9.332 14.745 -16.145 100 HB2 CYS 108 2HB CYS 108 9.646 14.566 -18.656 101 HB3 CYS 108 3HB CYS 108 8.501 15.788 -18.113 102 H ASP 109 H ASP 109 10.928 13.698 -14.984 103 HA ASP 109 HA ASP 109 13.057 12.580 -16.510 104 HB2 ASP 109 2HB ASP 109 13.832 14.954 -15.663 105 HB3 ASP 109 3HB ASP 109 14.078 14.097 -14.143 106 HA PRO 110 HA PRO 110 11.540 9.838 -13.198 107 HB2 PRO 110 2HB PRO 110 11.905 7.564 -14.635 108 HB3 PRO 110 3HB PRO 110 10.470 8.583 -14.797 109 HG2 PRO 110 2HG PRO 110 12.912 8.463 -16.525 110 HG3 PRO 110 3HG PRO 110 11.207 8.568 -17.002 111 HD2 PRO 110 2HD PRO 110 12.849 10.721 -16.980 112 HD3 PRO 110 3HD PRO 110 11.113 10.841 -16.630 113 H CYS 111 H CYS 111 14.524 10.355 -14.681 114 HA CYS 111 HA CYS 111 15.872 8.328 -13.039 115 HB2 CYS 111 2HB CYS 111 16.370 9.454 -15.659 116 HB3 CYS 111 3HB CYS 111 17.783 9.630 -14.622 117 H ALA 112 H ALA 112 14.933 11.461 -12.824 118 HA ALA 112 HA ALA 112 17.286 12.243 -11.233 119 HB1 ALA 112 1HB ALA 112 16.852 14.498 -11.710 120 HB2 ALA 112 2HB ALA 112 16.613 13.657 -13.243 121 HB3 ALA 112 3HB ALA 112 15.219 14.152 -12.283 122 H SER 113 H SER 113 16.442 14.107 -9.601 123 HA SER 113 HA SER 113 13.952 13.356 -8.315 124 HB2 SER 113 2HB SER 113 15.675 11.770 -7.413 125 HB3 SER 113 3HB SER 113 16.551 13.162 -6.777 126 HG SER 113 HG SER 113 14.324 11.914 -5.814 127 H CYS 114 H CYS 114 13.260 14.865 -6.720 128 HA CYS 114 HA CYS 114 14.003 17.547 -7.299 129 HB2 CYS 114 2HB CYS 114 11.712 16.784 -6.592 130 HB3 CYS 114 3HB CYS 114 12.350 16.572 -4.965 131 H TYR 115 H TYR 115 15.964 18.252 -6.710 132 HA TYR 115 HA TYR 115 16.896 17.672 -3.979 133 HB2 TYR 115 2HB TYR 115 18.522 16.883 -5.495 134 HB3 TYR 115 3HB TYR 115 18.370 18.300 -6.528 135 HD1 TYR 115 HD2 TYR 115 19.577 17.171 -3.205 136 HD2 TYR 115 HD1 TYR 115 19.764 20.168 -6.220 137 HE1 TYR 115 HE2 TYR 115 21.476 18.215 -2.042 138 HE2 TYR 115 HE1 TYR 115 21.664 21.220 -5.066 139 HH TYR 115 HH TYR 115 23.163 21.008 -3.417 140 H CYS 116 H CYS 116 17.693 19.333 -2.678 141 HA CYS 116 HA CYS 116 17.081 22.066 -3.593 142 HB2 CYS 116 2HB CYS 116 16.687 21.016 -0.784 143 HB3 CYS 116 3HB CYS 116 16.270 22.620 -1.378 144 H ARG 117 H ARG 117 18.317 23.761 -2.580 145 HA ARG 117 HA ARG 117 20.927 22.816 -1.590 146 HB2 ARG 117 2HB ARG 117 21.581 25.226 -2.513 147 HB3 ARG 117 3HB ARG 117 21.571 23.802 -3.545 148 HG2 ARG 117 2HG ARG 117 20.496 25.568 -4.720 149 HG3 ARG 117 3HG ARG 117 19.255 24.409 -4.240 150 HD2 ARG 117 2HD ARG 117 18.161 25.979 -3.113 151 HD3 ARG 117 3HD ARG 117 19.603 26.361 -2.174 152 HE ARG 117 HE ARG 117 19.831 28.243 -3.431 153 HH11 ARG 117 1HH1 ARG 117 17.961 25.932 -5.244 154 HH12 ARG 117 2HH1 ARG 117 17.665 27.013 -6.565 155 HH21 ARG 117 1HH2 ARG 117 19.448 29.675 -5.164 156 HH22 ARG 117 2HH2 ARG 117 18.512 29.142 -6.520 157 H PHE 118 H PHE 118 22.030 25.138 -0.733 158 HA PHE 118 HA PHE 118 21.294 25.466 1.831 159 HB2 PHE 118 2HB PHE 118 22.334 27.569 -0.069 160 HB3 PHE 118 3HB PHE 118 22.189 27.836 1.664 161 HD1 PHE 118 HD2 PHE 118 23.361 26.066 3.178 162 HD2 PHE 118 HD1 PHE 118 24.296 26.721 -0.922 163 HE1 PHE 118 HE2 PHE 118 25.572 25.039 3.521 164 HE2 PHE 118 HE1 PHE 118 26.507 25.695 -0.587 165 HZ PHE 118 HZ PHE 118 27.148 24.853 1.638 166 H PHE 119 H PHE 119 20.105 27.589 -0.779 167 HA PHE 119 HA PHE 119 18.345 29.122 0.678 168 HB2 PHE 119 2HB PHE 119 18.999 29.077 -1.900 169 HB3 PHE 119 3HB PHE 119 17.467 28.219 -2.024 170 HD1 PHE 119 HD1 PHE 119 18.687 31.169 -0.084 171 HD2 PHE 119 HD2 PHE 119 15.766 29.571 -2.735 172 HE1 PHE 119 HE1 PHE 119 17.488 33.317 -0.053 173 HE2 PHE 119 HE2 PHE 119 14.563 31.717 -2.709 174 HZ PHE 119 HZ PHE 119 15.424 33.594 -1.367 175 H ARG 120 H ARG 120 17.671 26.028 -0.941 176 HA ARG 120 HA ARG 120 16.078 24.442 -0.588 177 HB2 ARG 120 2HB ARG 120 16.869 25.114 1.889 178 HB3 ARG 120 3HB ARG 120 15.186 25.617 1.987 179 HG2 ARG 120 2HG ARG 120 15.036 23.462 2.730 180 HG3 ARG 120 3HG ARG 120 14.733 23.234 1.005 181 HD2 ARG 120 2HD ARG 120 16.289 21.574 1.537 182 HD3 ARG 120 3HD ARG 120 17.255 22.853 0.803 183 HE ARG 120 HE ARG 120 17.241 23.295 3.548 184 HH11 ARG 120 1HH1 ARG 120 18.366 20.882 1.304 185 HH12 ARG 120 2HH1 ARG 120 19.692 20.385 2.303 186 HH21 ARG 120 1HH2 ARG 120 18.984 22.649 4.871 187 HH22 ARG 120 2HH2 ARG 120 20.042 21.389 4.331 188 H SER 121 H SER 121 15.477 27.336 -1.500 189 HA SER 121 HA SER 121 12.546 27.127 -1.258 190 HB2 SER 121 2HB SER 121 13.615 29.766 -1.993 191 HB3 SER 121 3HB SER 121 12.369 29.341 -0.820 192 HG SER 121 HG SER 121 15.098 28.829 -0.317 193 H ALA 122 H ALA 122 15.202 27.038 -3.330 194 HA ALA 122 HA ALA 122 13.439 27.369 -5.669 195 HB1 ALA 122 1HB ALA 122 16.189 28.412 -5.190 196 HB2 ALA 122 2HB ALA 122 15.710 27.971 -6.829 197 HB3 ALA 122 3HB ALA 122 14.801 29.196 -5.943 198 H CYS 123 H CYS 123 13.694 24.925 -4.437 199 HA CYS 123 HA CYS 123 15.751 23.257 -5.263 200 HB2 CYS 123 2HB CYS 123 12.843 22.472 -5.004 201 HB3 CYS 123 3HB CYS 123 14.239 21.410 -4.864 202 H TYR 124 H TYR 124 15.727 21.573 -6.924 203 HA TYR 124 HA TYR 124 14.052 22.025 -9.247 204 HB2 TYR 124 2HB TYR 124 16.241 22.064 -10.674 205 HB3 TYR 124 3HB TYR 124 15.651 23.553 -9.944 206 HD1 TYR 124 HD2 TYR 124 17.917 20.692 -9.126 207 HD2 TYR 124 HD1 TYR 124 17.172 24.870 -8.813 208 HE1 TYR 124 HE2 TYR 124 20.083 20.988 -8.001 209 HE2 TYR 124 HE1 TYR 124 19.337 25.177 -7.687 210 HH TYR 124 HH TYR 124 21.747 22.868 -7.676 211 H CYS 125 H CYS 125 14.477 20.394 -10.964 212 HA CYS 125 HA CYS 125 14.696 17.799 -9.795 213 HB2 CYS 125 2HB CYS 125 14.087 18.903 -12.484 214 HB3 CYS 125 3HB CYS 125 14.695 17.252 -12.426 215 H ARG 126 H ARG 126 16.753 17.493 -8.997 216 HA ARG 126 HA ARG 126 18.965 17.607 -10.932 217 HB2 ARG 126 2HB ARG 126 19.064 18.888 -8.711 218 HB3 ARG 126 3HB ARG 126 19.259 17.315 -7.951 219 HG2 ARG 126 2HG ARG 126 21.442 17.853 -8.197 220 HG3 ARG 126 3HG ARG 126 21.178 17.102 -9.773 221 HD2 ARG 126 2HD ARG 126 21.414 19.047 -10.876 222 HD3 ARG 126 3HD ARG 126 20.522 19.957 -9.657 223 HE ARG 126 HE ARG 126 22.854 19.452 -8.415 224 HH11 ARG 126 1HH1 ARG 126 22.092 20.750 -11.554 225 HH12 ARG 126 2HH1 ARG 126 23.514 21.737 -11.636 226 HH21 ARG 126 1HH2 ARG 126 24.730 20.747 -8.511 227 HH22 ARG 126 2HH2 ARG 126 25.013 21.734 -9.904 228 H VAL 127 H VAL 127 20.017 15.803 -11.528 229 HA VAL 127 HA VAL 127 18.921 13.253 -10.762 230 HB VAL 127 HB VAL 127 20.695 12.347 -12.316 231 HG11 VAL 127 1HG1 VAL 127 19.596 13.381 -14.368 232 HG12 VAL 127 2HG1 VAL 127 18.532 12.587 -13.205 233 HG13 VAL 127 3HG1 VAL 127 18.650 14.347 -13.235 234 HG21 VAL 127 3HG2 VAL 127 22.344 13.644 -13.053 235 HG22 VAL 127 1HG2 VAL 127 21.191 14.830 -13.667 236 HG23 VAL 127 2HG2 VAL 127 21.754 14.928 -11.997 237 H LEU 128 H LEU 128 19.447 12.610 -8.745 238 HA LEU 128 HA LEU 128 22.213 12.860 -7.832 239 HB2 LEU 128 2HB LEU 128 19.812 11.845 -6.322 240 HB3 LEU 128 3HB LEU 128 21.383 12.276 -5.650 241 HG LEU 128 HG LEU 128 20.001 14.446 -7.079 242 HD11 LEU 128 1HD1 LEU 128 18.572 12.877 -5.150 243 HD12 LEU 128 2HD1 LEU 128 18.039 14.290 -6.059 244 HD13 LEU 128 3HD1 LEU 128 18.868 14.495 -4.516 245 HD21 LEU 128 3HD2 LEU 128 21.774 15.317 -5.995 246 HD22 LEU 128 1HD2 LEU 128 21.801 14.034 -4.785 247 HD23 LEU 128 2HD2 LEU 128 20.657 15.368 -4.631 248 H SER 129 H SER 129 21.338 10.940 -9.919 249 HA SER 129 HA SER 129 21.816 8.381 -8.564 250 HB2 SER 129 2HB SER 129 20.790 9.044 -11.329 251 HB3 SER 129 3HB SER 129 21.188 7.405 -10.814 252 HG SER 129 HG SER 129 19.606 7.571 -9.215 253 H LEU 130 H LEU 130 23.035 10.414 -11.191 254 HA LEU 130 HA LEU 130 25.048 10.510 -12.243 255 HB2 LEU 130 2HB LEU 130 26.109 8.922 -9.918 256 HB3 LEU 130 3HB LEU 130 27.014 9.986 -10.993 257 HG LEU 130 HG LEU 130 24.883 10.942 -9.087 258 HD11 LEU 130 1HD1 LEU 130 26.710 11.697 -7.662 259 HD12 LEU 130 2HD1 LEU 130 27.879 10.939 -8.743 260 HD13 LEU 130 3HD1 LEU 130 26.732 9.943 -7.846 261 HD21 LEU 130 3HD2 LEU 130 26.435 13.060 -9.529 262 HD22 LEU 130 1HD2 LEU 130 25.061 12.662 -10.561 263 HD23 LEU 130 2HD2 LEU 130 26.693 12.217 -11.058 264 H ASN 131 H ASN 131 23.229 8.097 -12.459 265 HA ASN 131 HA ASN 131 25.217 6.259 -13.624 266 HB2 ASN 131 2HB ASN 131 24.065 5.282 -11.665 267 HB3 ASN 131 3HB ASN 131 22.516 5.538 -12.463 268 HD21 ASN 131 1HD2 ASN 131 25.669 4.024 -13.040 269 HD22 ASN 131 2HD2 ASN 131 25.044 2.634 -13.854 270 H CYS 132 H CYS 132 22.118 7.854 -13.976 271 HA CYS 132 HA CYS 132 21.463 6.635 -16.481 272 HB2 CYS 132 2HB CYS 132 20.392 9.169 -15.219 273 HB3 CYS 132 3HB CYS 132 19.679 8.323 -16.589 Start of MODEL 8 1 H CYS 93 H CYS 93 9.332 20.771 -20.942 2 HA CYS 93 HA CYS 93 8.156 21.059 -18.295 3 HB2 CYS 93 2HB CYS 93 9.102 18.742 -17.698 4 HB3 CYS 93 3HB CYS 93 7.587 18.800 -18.596 5 H VAL 94 H VAL 94 10.022 20.119 -16.681 6 HA VAL 94 HA VAL 94 12.274 21.860 -17.192 7 HB VAL 94 HB VAL 94 11.298 20.313 -14.831 8 HG11 VAL 94 1HG1 VAL 94 13.537 19.665 -14.685 9 HG12 VAL 94 2HG1 VAL 94 14.122 21.215 -15.294 10 HG13 VAL 94 3HG1 VAL 94 13.445 21.103 -13.670 11 HG21 VAL 94 3HG2 VAL 94 10.493 22.557 -15.081 12 HG22 VAL 94 1HG2 VAL 94 11.647 22.531 -13.746 13 HG23 VAL 94 2HG2 VAL 94 12.129 23.170 -15.318 14 H ALA 95 H ALA 95 14.238 21.268 -17.865 15 HA ALA 95 HA ALA 95 14.704 18.561 -18.689 16 HB1 ALA 95 1HB ALA 95 17.116 19.877 -18.935 17 HB2 ALA 95 2HB ALA 95 15.873 19.739 -20.178 18 HB3 ALA 95 3HB ALA 95 15.922 21.159 -19.135 19 H THR 96 H THR 96 16.686 20.703 -16.636 20 HA THR 96 HA THR 96 16.930 18.734 -14.569 21 HB THR 96 HB THR 96 19.511 19.380 -15.976 22 HG1 THR 96 HG1 THR 96 18.045 16.970 -16.329 23 HG21 THR 96 3HG2 THR 96 18.759 17.067 -14.190 24 HG22 THR 96 1HG2 THR 96 19.498 18.559 -13.608 25 HG23 THR 96 2HG2 THR 96 20.374 17.522 -14.735 26 H ARG 97 H ARG 97 17.857 19.554 -12.686 27 HA ARG 97 HA ARG 97 18.059 21.279 -11.177 28 HB2 ARG 97 2HB ARG 97 20.171 22.399 -11.357 29 HB3 ARG 97 3HB ARG 97 20.374 20.763 -11.970 30 HG2 ARG 97 2HG ARG 97 19.695 22.834 -13.961 31 HG3 ARG 97 3HG ARG 97 21.298 22.930 -13.229 32 HD2 ARG 97 2HD ARG 97 21.985 20.949 -14.144 33 HD3 ARG 97 3HD ARG 97 20.354 20.283 -14.197 34 HE ARG 97 HE ARG 97 20.068 21.212 -16.280 35 HH11 ARG 97 1HH1 ARG 97 22.942 22.507 -14.803 36 HH12 ARG 97 2HH1 ARG 97 23.491 23.288 -16.249 37 HH21 ARG 97 1HH2 ARG 97 20.780 22.234 -18.190 38 HH22 ARG 97 2HH2 ARG 97 22.260 23.133 -18.175 39 H ASN 98 H ASN 98 16.024 21.854 -13.018 40 HA ASN 98 HA ASN 98 16.396 24.702 -13.625 41 HB2 ASN 98 2HB ASN 98 15.467 22.821 -15.275 42 HB3 ASN 98 3HB ASN 98 13.948 23.244 -14.490 43 HD21 ASN 98 1HD2 ASN 98 14.474 23.637 -17.205 44 HD22 ASN 98 2HD2 ASN 98 14.479 25.337 -17.520 45 H SER 99 H SER 99 13.691 22.639 -12.547 46 HA SER 99 HA SER 99 13.240 24.225 -10.203 47 HB2 SER 99 2HB SER 99 11.448 24.540 -12.603 48 HB3 SER 99 3HB SER 99 10.847 24.817 -10.968 49 HG SER 99 HG SER 99 12.886 26.220 -10.878 50 H CYS 100 H CYS 100 11.836 23.248 -8.753 51 HA CYS 100 HA CYS 100 11.069 20.506 -9.464 52 HB2 CYS 100 2HB CYS 100 12.469 21.457 -7.298 53 HB3 CYS 100 3HB CYS 100 10.841 21.290 -6.646 54 H LYS 101 H LYS 101 9.253 20.153 -7.305 55 HA LYS 101 HA LYS 101 7.033 20.300 -6.831 56 HB2 LYS 101 2HB LYS 101 7.596 23.141 -7.652 57 HB3 LYS 101 3HB LYS 101 5.990 22.624 -7.155 58 HG2 LYS 101 2HG LYS 101 6.749 23.337 -5.150 59 HG3 LYS 101 3HG LYS 101 7.366 21.685 -5.082 60 HD2 LYS 101 2HD LYS 101 9.444 22.793 -6.286 61 HD3 LYS 101 3HD LYS 101 8.821 24.247 -5.502 62 HE2 LYS 101 2HE LYS 101 9.385 21.662 -4.058 63 HE3 LYS 101 3HE LYS 101 10.536 22.992 -4.178 64 HZ1 LYS 101 3HZ LYS 101 9.065 24.408 -2.982 65 HZ2 LYS 101 1HZ LYS 101 9.208 22.971 -2.100 66 HZ3 LYS 101 2HZ LYS 101 7.819 23.264 -3.019 67 HA PRO 102 HA PRO 102 6.015 19.535 -11.270 68 HB2 PRO 102 2HB PRO 102 4.932 17.085 -10.823 69 HB3 PRO 102 3HB PRO 102 6.663 17.340 -11.073 70 HG2 PRO 102 2HG PRO 102 5.151 16.985 -8.515 71 HG3 PRO 102 3HG PRO 102 6.704 16.282 -9.003 72 HD2 PRO 102 2HD PRO 102 6.529 18.426 -7.358 73 HD3 PRO 102 3HD PRO 102 7.876 18.199 -8.491 74 H ALA 103 H ALA 103 4.505 21.360 -10.399 75 HA ALA 103 HA ALA 103 1.798 20.274 -9.986 76 HB1 ALA 103 1HB ALA 103 1.314 22.690 -9.260 77 HB2 ALA 103 2HB ALA 103 2.241 21.661 -8.167 78 HB3 ALA 103 3HB ALA 103 3.067 22.861 -9.162 79 H ALA 104 H ALA 104 3.629 22.750 -11.751 80 HA ALA 104 HA ALA 104 1.359 23.237 -13.514 81 HB1 ALA 104 1HB ALA 104 4.092 24.510 -13.538 82 HB2 ALA 104 2HB ALA 104 2.667 25.050 -14.425 83 HB3 ALA 104 3HB ALA 104 2.693 25.133 -12.664 84 H ALA 105 H ALA 105 3.585 20.905 -13.354 85 HA ALA 105 HA ALA 105 4.123 19.275 -14.882 86 HB1 ALA 105 1HB ALA 105 3.335 20.917 -17.228 87 HB2 ALA 105 2HB ALA 105 3.128 19.190 -16.932 88 HB3 ALA 105 3HB ALA 105 2.065 20.354 -16.142 89 H ALA 106 H ALA 106 6.131 20.595 -13.933 90 HA ALA 106 HA ALA 106 7.839 21.145 -16.258 91 HB1 ALA 106 1HB ALA 106 6.979 23.216 -14.873 92 HB2 ALA 106 2HB ALA 106 8.289 22.743 -13.791 93 HB3 ALA 106 3HB ALA 106 8.635 23.139 -15.474 94 H CYS 107 H CYS 107 8.183 18.777 -15.605 95 HA CYS 107 HA CYS 107 10.732 18.454 -14.568 96 HB2 CYS 107 2HB CYS 107 8.792 18.779 -12.503 97 HB3 CYS 107 3HB CYS 107 9.340 17.105 -12.477 98 H CYS 108 H CYS 108 10.583 17.185 -16.505 99 HA CYS 108 HA CYS 108 9.178 14.621 -16.177 100 HB2 CYS 108 2HB CYS 108 9.528 14.401 -18.660 101 HB3 CYS 108 3HB CYS 108 8.474 15.726 -18.178 102 H ASP 109 H ASP 109 11.122 14.272 -14.665 103 HA ASP 109 HA ASP 109 13.172 12.855 -16.212 104 HB2 ASP 109 2HB ASP 109 13.824 15.222 -15.180 105 HB3 ASP 109 3HB ASP 109 14.045 14.250 -13.727 106 HA PRO 110 HA PRO 110 11.391 10.058 -13.054 107 HB2 PRO 110 2HB PRO 110 11.675 7.827 -14.575 108 HB3 PRO 110 3HB PRO 110 10.292 8.918 -14.718 109 HG2 PRO 110 2HG PRO 110 12.754 8.751 -16.411 110 HG3 PRO 110 3HG PRO 110 11.065 8.955 -16.911 111 HD2 PRO 110 2HD PRO 110 12.807 11.025 -16.776 112 HD3 PRO 110 3HD PRO 110 11.072 11.213 -16.450 113 H CYS 111 H CYS 111 14.421 10.492 -14.466 114 HA CYS 111 HA CYS 111 15.638 8.369 -12.835 115 HB2 CYS 111 2HB CYS 111 16.169 9.355 -15.479 116 HB3 CYS 111 3HB CYS 111 17.594 9.592 -14.472 117 H ALA 112 H ALA 112 14.870 11.527 -12.604 118 HA ALA 112 HA ALA 112 17.323 12.266 -11.160 119 HB1 ALA 112 1HB ALA 112 16.788 14.526 -11.497 120 HB2 ALA 112 2HB ALA 112 16.409 13.737 -13.029 121 HB3 ALA 112 3HB ALA 112 15.114 14.156 -11.909 122 H SER 113 H SER 113 16.393 14.204 -9.491 123 HA SER 113 HA SER 113 14.161 13.240 -7.942 124 HB2 SER 113 2HB SER 113 16.300 11.867 -7.327 125 HB3 SER 113 3HB SER 113 16.772 13.331 -6.464 126 HG SER 113 HG SER 113 14.663 11.563 -5.964 127 H CYS 114 H CYS 114 13.412 14.741 -6.442 128 HA CYS 114 HA CYS 114 13.976 17.446 -7.002 129 HB2 CYS 114 2HB CYS 114 11.831 16.382 -6.026 130 HB3 CYS 114 3HB CYS 114 12.642 16.521 -4.469 131 H TYR 115 H TYR 115 15.910 18.303 -6.562 132 HA TYR 115 HA TYR 115 17.095 17.788 -3.916 133 HB2 TYR 115 2HB TYR 115 18.658 17.079 -5.523 134 HB3 TYR 115 3HB TYR 115 18.321 18.442 -6.584 135 HD1 TYR 115 HD2 TYR 115 19.838 17.552 -3.309 136 HD2 TYR 115 HD1 TYR 115 19.635 20.380 -6.482 137 HE1 TYR 115 HE2 TYR 115 21.746 18.767 -2.342 138 HE2 TYR 115 HE1 TYR 115 21.543 21.601 -5.524 139 HH TYR 115 HH TYR 115 23.028 20.582 -2.467 140 H CYS 116 H CYS 116 17.875 19.504 -2.684 141 HA CYS 116 HA CYS 116 17.037 22.186 -3.569 142 HB2 CYS 116 2HB CYS 116 16.914 21.099 -0.749 143 HB3 CYS 116 3HB CYS 116 16.429 22.712 -1.262 144 H ARG 117 H ARG 117 18.255 23.963 -2.695 145 HA ARG 117 HA ARG 117 20.991 23.188 -1.920 146 HB2 ARG 117 2HB ARG 117 21.405 25.632 -2.899 147 HB3 ARG 117 3HB ARG 117 21.408 24.201 -3.920 148 HG2 ARG 117 2HG ARG 117 20.127 25.928 -4.979 149 HG3 ARG 117 3HG ARG 117 19.040 24.634 -4.473 150 HD2 ARG 117 2HD ARG 117 18.057 25.908 -2.849 151 HD3 ARG 117 3HD ARG 117 19.500 26.888 -2.593 152 HE ARG 117 HE ARG 117 17.361 27.411 -4.428 153 HH11 ARG 117 1HH1 ARG 117 20.739 27.931 -3.770 154 HH12 ARG 117 2HH1 ARG 117 20.830 29.388 -4.703 155 HH21 ARG 117 1HH2 ARG 117 17.467 29.328 -5.660 156 HH22 ARG 117 2HH2 ARG 117 18.968 30.183 -5.776 157 H PHE 118 H PHE 118 22.022 25.571 -1.160 158 HA PHE 118 HA PHE 118 21.459 25.867 1.462 159 HB2 PHE 118 2HB PHE 118 22.473 27.791 -0.585 160 HB3 PHE 118 3HB PHE 118 22.102 28.400 1.025 161 HD1 PHE 118 HD2 PHE 118 23.577 25.155 -0.040 162 HD2 PHE 118 HD1 PHE 118 24.133 28.828 2.037 163 HE1 PHE 118 HE2 PHE 118 25.767 24.368 0.758 164 HE2 PHE 118 HE1 PHE 118 26.325 28.048 2.837 165 HZ PHE 118 HZ PHE 118 27.144 25.815 2.200 166 H PHE 119 H PHE 119 20.009 27.916 -1.073 167 HA PHE 119 HA PHE 119 18.314 29.428 0.460 168 HB2 PHE 119 2HB PHE 119 18.723 29.227 -2.181 169 HB3 PHE 119 3HB PHE 119 17.182 28.382 -2.080 170 HD1 PHE 119 HD2 PHE 119 18.619 31.418 -0.449 171 HD2 PHE 119 HD1 PHE 119 15.430 29.715 -2.696 172 HE1 PHE 119 HE2 PHE 119 17.442 33.579 -0.410 173 HE2 PHE 119 HE1 PHE 119 14.249 31.873 -2.661 174 HZ PHE 119 HZ PHE 119 15.254 33.809 -1.517 175 H ARG 120 H ARG 120 17.658 26.211 -0.896 176 HA ARG 120 HA ARG 120 16.178 24.587 -0.308 177 HB2 ARG 120 2HB ARG 120 16.726 26.020 2.166 178 HB3 ARG 120 3HB ARG 120 15.117 25.310 2.156 179 HG2 ARG 120 2HG ARG 120 17.475 23.664 1.356 180 HG3 ARG 120 3HG ARG 120 17.126 23.948 3.062 181 HD2 ARG 120 2HD ARG 120 14.869 23.048 2.742 182 HD3 ARG 120 3HD ARG 120 15.230 22.756 1.041 183 HE ARG 120 HE ARG 120 17.158 21.457 2.607 184 HH11 ARG 120 1HH1 ARG 120 13.766 21.265 1.846 185 HH12 ARG 120 2HH1 ARG 120 13.672 19.554 2.102 186 HH21 ARG 120 1HH2 ARG 120 17.047 19.204 2.947 187 HH22 ARG 120 2HH2 ARG 120 15.539 18.383 2.729 188 H SER 121 H SER 121 15.366 27.378 -1.371 189 HA SER 121 HA SER 121 12.473 27.007 -0.952 190 HB2 SER 121 2HB SER 121 14.124 29.387 -0.617 191 HB3 SER 121 3HB SER 121 12.783 29.655 -1.730 192 HG SER 121 HG SER 121 12.495 28.492 0.840 193 H ALA 122 H ALA 122 14.972 26.857 -3.122 194 HA ALA 122 HA ALA 122 13.109 27.076 -5.386 195 HB1 ALA 122 1HB ALA 122 15.185 27.907 -6.695 196 HB2 ALA 122 2HB ALA 122 14.287 29.046 -5.691 197 HB3 ALA 122 3HB ALA 122 15.799 28.354 -5.103 198 H CYS 123 H CYS 123 13.346 24.677 -4.462 199 HA CYS 123 HA CYS 123 15.623 23.184 -5.222 200 HB2 CYS 123 2HB CYS 123 12.804 22.138 -4.933 201 HB3 CYS 123 3HB CYS 123 14.304 21.230 -4.761 202 H TYR 124 H TYR 124 15.726 21.541 -6.903 203 HA TYR 124 HA TYR 124 13.969 21.919 -9.197 204 HB2 TYR 124 2HB TYR 124 16.290 21.918 -10.549 205 HB3 TYR 124 3HB TYR 124 15.470 23.398 -10.060 206 HD1 TYR 124 HD2 TYR 124 18.181 21.048 -9.131 207 HD2 TYR 124 HD1 TYR 124 16.487 24.909 -8.557 208 HE1 TYR 124 HE2 TYR 124 20.182 21.734 -7.875 209 HE2 TYR 124 HE1 TYR 124 18.483 25.605 -7.301 210 HH TYR 124 HH TYR 124 20.841 23.388 -6.222 211 H CYS 125 H CYS 125 14.396 20.294 -10.913 212 HA CYS 125 HA CYS 125 14.671 17.704 -9.756 213 HB2 CYS 125 2HB CYS 125 14.048 18.803 -12.445 214 HB3 CYS 125 3HB CYS 125 14.670 17.157 -12.382 215 H ARG 126 H ARG 126 16.714 17.355 -8.980 216 HA ARG 126 HA ARG 126 18.918 17.499 -10.928 217 HB2 ARG 126 2HB ARG 126 19.074 18.879 -8.805 218 HB3 ARG 126 3HB ARG 126 19.187 17.359 -7.926 219 HG2 ARG 126 2HG ARG 126 21.397 17.800 -8.159 220 HG3 ARG 126 3HG ARG 126 21.136 16.930 -9.671 221 HD2 ARG 126 2HD ARG 126 21.530 18.749 -10.915 222 HD3 ARG 126 3HD ARG 126 20.567 19.784 -9.862 223 HE ARG 126 HE ARG 126 22.799 19.391 -8.411 224 HH11 ARG 126 1HH1 ARG 126 22.279 20.369 -11.711 225 HH12 ARG 126 2HH1 ARG 126 23.716 21.332 -11.790 226 HH21 ARG 126 1HH2 ARG 126 24.695 20.656 -8.501 227 HH22 ARG 126 2HH2 ARG 126 25.090 21.494 -9.964 228 H VAL 127 H VAL 127 20.007 15.694 -11.463 229 HA VAL 127 HA VAL 127 18.975 13.156 -10.526 230 HB VAL 127 HB VAL 127 20.596 12.194 -12.190 231 HG11 VAL 127 1HG1 VAL 127 19.346 13.171 -14.189 232 HG12 VAL 127 2HG1 VAL 127 18.378 12.415 -12.922 233 HG13 VAL 127 3HG1 VAL 127 18.493 14.173 -13.016 234 HG21 VAL 127 3HG2 VAL 127 21.659 14.809 -12.080 235 HG22 VAL 127 1HG2 VAL 127 22.211 13.448 -13.055 236 HG23 VAL 127 2HG2 VAL 127 21.021 14.574 -13.707 237 H LEU 128 H LEU 128 19.728 12.330 -8.692 238 HA LEU 128 HA LEU 128 22.535 12.788 -7.963 239 HB2 LEU 128 2HB LEU 128 20.294 11.728 -6.252 240 HB3 LEU 128 3HB LEU 128 21.907 12.188 -5.711 241 HG LEU 128 HG LEU 128 20.374 14.324 -7.035 242 HD11 LEU 128 1HD1 LEU 128 18.502 14.125 -5.864 243 HD12 LEU 128 2HD1 LEU 128 19.446 14.387 -4.398 244 HD13 LEU 128 3HD1 LEU 128 19.145 12.746 -4.971 245 HD21 LEU 128 3HD2 LEU 128 22.361 13.961 -4.890 246 HD22 LEU 128 1HD2 LEU 128 21.210 15.278 -4.657 247 HD23 LEU 128 2HD2 LEU 128 22.216 15.232 -6.106 248 H SER 129 H SER 129 21.512 10.792 -9.933 249 HA SER 129 HA SER 129 22.252 8.288 -8.592 250 HB2 SER 129 2HB SER 129 21.161 8.539 -11.393 251 HB3 SER 129 3HB SER 129 21.160 7.122 -10.343 252 HG SER 129 HG SER 129 19.119 8.317 -10.528 253 H LEU 130 H LEU 130 23.098 10.374 -11.305 254 HA LEU 130 HA LEU 130 24.962 10.532 -12.596 255 HB2 LEU 130 2HB LEU 130 26.332 8.912 -10.462 256 HB3 LEU 130 3HB LEU 130 27.073 10.031 -11.605 257 HG LEU 130 HG LEU 130 25.110 10.966 -9.533 258 HD11 LEU 130 1HD1 LEU 130 27.771 9.933 -9.096 259 HD12 LEU 130 2HD1 LEU 130 26.559 10.458 -7.928 260 HD13 LEU 130 3HD1 LEU 130 27.657 11.635 -8.648 261 HD21 LEU 130 3HD2 LEU 130 25.404 12.735 -10.926 262 HD22 LEU 130 1HD2 LEU 130 26.992 12.191 -11.466 263 HD23 LEU 130 2HD2 LEU 130 26.816 12.979 -9.898 264 H ASN 131 H ASN 131 23.162 8.162 -12.774 265 HA ASN 131 HA ASN 131 25.041 6.339 -14.126 266 HB2 ASN 131 2HB ASN 131 23.838 5.463 -12.030 267 HB3 ASN 131 3HB ASN 131 22.378 5.474 -13.016 268 HD21 ASN 131 1HD2 ASN 131 22.545 3.146 -12.394 269 HD22 ASN 131 2HD2 ASN 131 23.434 2.108 -13.452 270 H CYS 132 H CYS 132 21.912 7.928 -14.190 271 HA CYS 132 HA CYS 132 21.171 6.834 -16.748 272 HB2 CYS 132 2HB CYS 132 19.964 9.195 -15.295 273 HB3 CYS 132 3HB CYS 132 19.223 8.259 -16.589 Start of MODEL 9 1 H CYS 93 H CYS 93 8.958 21.749 -20.854 2 HA CYS 93 HA CYS 93 7.872 21.504 -18.276 3 HB2 CYS 93 2HB CYS 93 8.649 19.141 -17.814 4 HB3 CYS 93 3HB CYS 93 7.207 19.280 -18.815 5 H VAL 94 H VAL 94 9.682 20.603 -16.710 6 HA VAL 94 HA VAL 94 12.017 22.198 -17.252 7 HB VAL 94 HB VAL 94 11.018 20.651 -14.901 8 HG11 VAL 94 1HG1 VAL 94 13.227 19.906 -14.803 9 HG12 VAL 94 2HG1 VAL 94 13.869 21.434 -15.408 10 HG13 VAL 94 3HG1 VAL 94 13.221 21.335 -13.771 11 HG21 VAL 94 3HG2 VAL 94 11.622 22.885 -13.818 12 HG22 VAL 94 1HG2 VAL 94 11.849 23.481 -15.462 13 HG23 VAL 94 2HG2 VAL 94 10.273 22.876 -14.954 14 H ALA 95 H ALA 95 13.945 21.532 -17.961 15 HA ALA 95 HA ALA 95 14.273 18.825 -18.849 16 HB1 ALA 95 1HB ALA 95 15.625 21.376 -19.240 17 HB2 ALA 95 2HB ALA 95 16.736 20.010 -19.130 18 HB3 ALA 95 3HB ALA 95 15.449 20.006 -20.337 19 H THR 96 H THR 96 16.388 20.832 -16.791 20 HA THR 96 HA THR 96 16.574 18.810 -14.769 21 HB THR 96 HB THR 96 19.163 19.374 -16.193 22 HG1 THR 96 HG1 THR 96 18.547 18.065 -17.726 23 HG21 THR 96 3HG2 THR 96 20.011 18.173 -14.522 24 HG22 THR 96 1HG2 THR 96 18.997 16.806 -14.986 25 HG23 THR 96 2HG2 THR 96 18.400 17.992 -13.827 26 H ARG 97 H ARG 97 17.574 19.544 -12.884 27 HA ARG 97 HA ARG 97 17.872 21.226 -11.342 28 HB2 ARG 97 2HB ARG 97 20.027 22.266 -11.542 29 HB3 ARG 97 3HB ARG 97 20.150 20.631 -12.175 30 HG2 ARG 97 2HG ARG 97 19.534 22.762 -14.125 31 HG3 ARG 97 3HG ARG 97 21.154 22.761 -13.425 32 HD2 ARG 97 2HD ARG 97 21.727 20.789 -14.414 33 HD3 ARG 97 3HD ARG 97 20.076 20.172 -14.389 34 HE ARG 97 HE ARG 97 19.914 22.155 -16.193 35 HH11 ARG 97 1HH1 ARG 97 22.153 19.515 -15.814 36 HH12 ARG 97 2HH1 ARG 97 22.476 19.374 -17.510 37 HH21 ARG 97 1HH2 ARG 97 20.333 21.979 -18.428 38 HH22 ARG 97 2HH2 ARG 97 21.441 20.776 -18.996 39 H ASN 98 H ASN 98 15.832 21.931 -13.124 40 HA ASN 98 HA ASN 98 16.317 24.778 -13.659 41 HB2 ASN 98 2HB ASN 98 15.313 22.983 -15.365 42 HB3 ASN 98 3HB ASN 98 13.813 23.449 -14.569 43 HD21 ASN 98 1HD2 ASN 98 14.373 23.897 -17.274 44 HD22 ASN 98 2HD2 ASN 98 14.447 25.602 -17.539 45 H SER 99 H SER 99 13.677 22.684 -12.481 46 HA SER 99 HA SER 99 13.244 24.265 -10.155 47 HB2 SER 99 2HB SER 99 12.241 25.654 -12.084 48 HB3 SER 99 3HB SER 99 10.983 24.418 -12.140 49 HG SER 99 HG SER 99 10.396 24.935 -10.065 50 H CYS 100 H CYS 100 11.845 23.285 -8.700 51 HA CYS 100 HA CYS 100 11.039 20.563 -9.439 52 HB2 CYS 100 2HB CYS 100 12.448 21.489 -7.263 53 HB3 CYS 100 3HB CYS 100 10.821 21.312 -6.614 54 H LYS 101 H LYS 101 9.207 20.149 -7.348 55 HA LYS 101 HA LYS 101 7.002 20.349 -6.823 56 HB2 LYS 101 2HB LYS 101 7.905 23.077 -7.223 57 HB3 LYS 101 3HB LYS 101 6.214 22.890 -7.672 58 HG2 LYS 101 2HG LYS 101 6.256 23.528 -5.399 59 HG3 LYS 101 3HG LYS 101 5.845 21.812 -5.435 60 HD2 LYS 101 2HD LYS 101 7.436 22.021 -3.717 61 HD3 LYS 101 3HD LYS 101 8.335 21.379 -5.094 62 HE2 LYS 101 2HE LYS 101 9.740 23.051 -4.360 63 HE3 LYS 101 3HE LYS 101 8.809 23.889 -5.602 64 HZ1 LYS 101 3HZ LYS 101 8.790 24.242 -2.713 65 HZ2 LYS 101 1HZ LYS 101 7.292 24.368 -3.491 66 HZ3 LYS 101 2HZ LYS 101 8.569 25.380 -3.944 67 HA PRO 102 HA PRO 102 5.995 19.541 -11.268 68 HB2 PRO 102 2HB PRO 102 5.000 17.054 -10.821 69 HB3 PRO 102 3HB PRO 102 6.719 17.368 -11.086 70 HG2 PRO 102 2HG PRO 102 5.245 16.953 -8.515 71 HG3 PRO 102 3HG PRO 102 6.816 16.304 -9.021 72 HD2 PRO 102 2HD PRO 102 6.585 18.435 -7.366 73 HD3 PRO 102 3HD PRO 102 7.928 18.258 -8.513 74 H ALA 103 H ALA 103 4.438 21.312 -10.327 75 HA ALA 103 HA ALA 103 1.780 20.145 -9.858 76 HB1 ALA 103 1HB ALA 103 2.979 22.804 -9.171 77 HB2 ALA 103 2HB ALA 103 1.231 22.579 -9.225 78 HB3 ALA 103 3HB ALA 103 2.208 21.623 -8.112 79 H ALA 104 H ALA 104 3.627 22.228 -11.977 80 HA ALA 104 HA ALA 104 1.245 22.673 -13.641 81 HB1 ALA 104 1HB ALA 104 2.504 24.674 -12.926 82 HB2 ALA 104 2HB ALA 104 3.916 24.063 -13.788 83 HB3 ALA 104 3HB ALA 104 2.454 24.485 -14.679 84 H ALA 105 H ALA 105 3.554 20.444 -13.379 85 HA ALA 105 HA ALA 105 4.129 18.748 -14.821 86 HB1 ALA 105 1HB ALA 105 3.110 18.519 -16.839 87 HB2 ALA 105 2HB ALA 105 2.046 19.739 -16.142 88 HB3 ALA 105 3HB ALA 105 3.319 20.217 -17.264 89 H ALA 106 H ALA 106 6.033 20.376 -13.932 90 HA ALA 106 HA ALA 106 7.790 20.685 -16.265 91 HB1 ALA 106 1HB ALA 106 6.748 22.875 -15.192 92 HB2 ALA 106 2HB ALA 106 8.091 22.657 -14.070 93 HB3 ALA 106 3HB ALA 106 8.405 22.826 -15.797 94 H CYS 107 H CYS 107 8.751 18.701 -15.678 95 HA CYS 107 HA CYS 107 11.018 18.876 -14.062 96 HB2 CYS 107 2HB CYS 107 8.804 18.605 -12.463 97 HB3 CYS 107 3HB CYS 107 9.315 16.932 -12.663 98 H CYS 108 H CYS 108 10.165 17.890 -16.623 99 HA CYS 108 HA CYS 108 9.924 15.132 -16.815 100 HB2 CYS 108 2HB CYS 108 11.174 17.171 -18.648 101 HB3 CYS 108 3HB CYS 108 11.094 15.465 -19.077 102 H ASP 109 H ASP 109 11.193 13.875 -15.550 103 HA ASP 109 HA ASP 109 13.778 13.216 -16.372 104 HB2 ASP 109 2HB ASP 109 13.893 15.569 -15.002 105 HB3 ASP 109 3HB ASP 109 14.136 14.407 -13.699 106 HA PRO 110 HA PRO 110 11.561 10.207 -13.655 107 HB2 PRO 110 2HB PRO 110 11.928 8.097 -15.322 108 HB3 PRO 110 3HB PRO 110 10.577 9.224 -15.484 109 HG2 PRO 110 2HG PRO 110 13.162 9.137 -16.991 110 HG3 PRO 110 3HG PRO 110 11.521 9.415 -17.601 111 HD2 PRO 110 2HD PRO 110 13.277 11.430 -17.170 112 HD3 PRO 110 3HD PRO 110 11.525 11.630 -16.963 113 H CYS 111 H CYS 111 14.699 10.686 -14.791 114 HA CYS 111 HA CYS 111 15.748 8.430 -13.221 115 HB2 CYS 111 2HB CYS 111 16.702 9.860 -15.643 116 HB3 CYS 111 3HB CYS 111 17.932 9.318 -14.507 117 H ALA 112 H ALA 112 15.023 11.570 -12.834 118 HA ALA 112 HA ALA 112 17.350 12.092 -11.102 119 HB1 ALA 112 1HB ALA 112 17.205 14.359 -11.535 120 HB2 ALA 112 2HB ALA 112 16.795 13.651 -13.098 121 HB3 ALA 112 3HB ALA 112 15.519 14.260 -12.044 122 H SER 113 H SER 113 16.508 13.984 -9.453 123 HA SER 113 HA SER 113 13.933 13.262 -8.313 124 HB2 SER 113 2HB SER 113 15.383 11.633 -7.255 125 HB3 SER 113 3HB SER 113 16.537 12.892 -6.814 126 HG SER 113 HG SER 113 15.405 13.176 -5.081 127 H CYS 114 H CYS 114 13.356 14.678 -6.466 128 HA CYS 114 HA CYS 114 13.918 17.394 -7.099 129 HB2 CYS 114 2HB CYS 114 11.769 16.394 -6.088 130 HB3 CYS 114 3HB CYS 114 12.617 16.468 -4.547 131 H TYR 115 H TYR 115 15.886 18.196 -6.706 132 HA TYR 115 HA TYR 115 17.128 17.634 -4.097 133 HB2 TYR 115 2HB TYR 115 18.604 16.921 -5.805 134 HB3 TYR 115 3HB TYR 115 18.309 18.361 -6.774 135 HD1 TYR 115 HD2 TYR 115 19.998 17.074 -3.755 136 HD2 TYR 115 HD1 TYR 115 19.551 20.365 -6.416 137 HE1 TYR 115 HE2 TYR 115 21.973 18.145 -2.754 138 HE2 TYR 115 HE1 TYR 115 21.526 21.443 -5.424 139 HH TYR 115 HH TYR 115 23.770 20.078 -3.850 140 H CYS 116 H CYS 116 17.971 19.318 -2.863 141 HA CYS 116 HA CYS 116 17.171 22.030 -3.690 142 HB2 CYS 116 2HB CYS 116 17.049 20.907 -0.884 143 HB3 CYS 116 3HB CYS 116 16.588 22.534 -1.374 144 H ARG 117 H ARG 117 18.399 23.768 -2.659 145 HA ARG 117 HA ARG 117 21.112 22.921 -1.881 146 HB2 ARG 117 2HB ARG 117 21.801 25.156 -2.992 147 HB3 ARG 117 3HB ARG 117 21.465 23.769 -4.020 148 HG2 ARG 117 2HG ARG 117 20.364 25.480 -5.103 149 HG3 ARG 117 3HG ARG 117 19.075 24.745 -4.148 150 HD2 ARG 117 2HD ARG 117 18.874 26.543 -2.790 151 HD3 ARG 117 3HD ARG 117 20.600 26.900 -2.834 152 HE ARG 117 HE ARG 117 20.164 28.413 -4.474 153 HH11 ARG 117 1HH1 ARG 117 17.606 26.051 -4.454 154 HH12 ARG 117 2HH1 ARG 117 16.685 26.846 -5.688 155 HH21 ARG 117 1HH2 ARG 117 18.962 29.468 -6.101 156 HH22 ARG 117 2HH2 ARG 117 17.458 28.789 -6.625 157 H PHE 118 H PHE 118 22.196 25.345 -1.259 158 HA PHE 118 HA PHE 118 21.678 25.813 1.322 159 HB2 PHE 118 2HB PHE 118 22.496 27.707 -0.852 160 HB3 PHE 118 3HB PHE 118 22.238 28.316 0.779 161 HD1 PHE 118 HD1 PHE 118 23.447 26.896 2.663 162 HD2 PHE 118 HD2 PHE 118 24.609 27.034 -1.430 163 HE1 PHE 118 HE1 PHE 118 25.719 26.190 3.288 164 HE2 PHE 118 HE2 PHE 118 26.882 26.327 -0.811 165 HZ PHE 118 HZ PHE 118 27.441 25.903 1.550 166 H PHE 119 H PHE 119 20.134 27.784 -1.222 167 HA PHE 119 HA PHE 119 18.389 29.219 0.329 168 HB2 PHE 119 2HB PHE 119 18.815 29.091 -2.308 169 HB3 PHE 119 3HB PHE 119 17.314 28.173 -2.241 170 HD1 PHE 119 HD1 PHE 119 18.619 31.255 -0.580 171 HD2 PHE 119 HD2 PHE 119 15.482 29.422 -2.798 172 HE1 PHE 119 HE1 PHE 119 17.344 33.358 -0.509 173 HE2 PHE 119 HE2 PHE 119 14.202 31.522 -2.731 174 HZ PHE 119 HZ PHE 119 15.133 33.494 -1.586 175 H ARG 120 H ARG 120 17.763 26.049 -1.164 176 HA ARG 120 HA ARG 120 16.310 24.380 -0.640 177 HB2 ARG 120 2HB ARG 120 16.951 25.645 1.904 178 HB3 ARG 120 3HB ARG 120 15.349 24.920 1.910 179 HG2 ARG 120 2HG ARG 120 17.510 23.261 0.787 180 HG3 ARG 120 3HG ARG 120 17.594 23.586 2.519 181 HD2 ARG 120 2HD ARG 120 14.999 22.955 2.317 182 HD3 ARG 120 3HD ARG 120 15.628 22.009 0.969 183 HE ARG 120 HE ARG 120 17.249 21.526 3.187 184 HH11 ARG 120 1HH1 ARG 120 13.971 20.977 2.153 185 HH12 ARG 120 2HH1 ARG 120 13.775 19.538 3.098 186 HH21 ARG 120 1HH2 ARG 120 17.003 19.634 4.436 187 HH22 ARG 120 2HH2 ARG 120 15.501 18.776 4.397 188 H SER 121 H SER 121 15.434 27.192 -1.522 189 HA SER 121 HA SER 121 12.576 26.870 -0.877 190 HB2 SER 121 2HB SER 121 14.210 29.119 -0.506 191 HB3 SER 121 3HB SER 121 13.230 29.489 -1.925 192 HG SER 121 HG SER 121 11.412 29.300 -0.739 193 H ALA 122 H ALA 122 14.972 27.154 -3.349 194 HA ALA 122 HA ALA 122 12.857 27.003 -5.398 195 HB1 ALA 122 1HB ALA 122 15.455 28.474 -5.384 196 HB2 ALA 122 2HB ALA 122 14.775 27.911 -6.912 197 HB3 ALA 122 3HB ALA 122 13.856 29.019 -5.893 198 H CYS 123 H CYS 123 13.395 24.653 -4.393 199 HA CYS 123 HA CYS 123 15.644 23.253 -5.274 200 HB2 CYS 123 2HB CYS 123 12.859 22.129 -4.915 201 HB3 CYS 123 3HB CYS 123 14.373 21.234 -4.848 202 H TYR 124 H TYR 124 15.687 21.521 -6.930 203 HA TYR 124 HA TYR 124 13.932 21.903 -9.215 204 HB2 TYR 124 2HB TYR 124 16.182 21.939 -10.628 205 HB3 TYR 124 3HB TYR 124 15.443 23.422 -10.034 206 HD1 TYR 124 HD2 TYR 124 18.085 20.922 -9.301 207 HD2 TYR 124 HD1 TYR 124 16.608 24.844 -8.565 208 HE1 TYR 124 HE2 TYR 124 20.168 21.479 -8.118 209 HE2 TYR 124 HE1 TYR 124 18.688 25.412 -7.382 210 HH TYR 124 HH TYR 124 21.317 23.044 -7.050 211 H CYS 125 H CYS 125 14.291 20.261 -10.901 212 HA CYS 125 HA CYS 125 14.647 17.684 -9.731 213 HB2 CYS 125 2HB CYS 125 13.790 18.769 -12.335 214 HB3 CYS 125 3HB CYS 125 14.572 17.193 -12.411 215 H ARG 126 H ARG 126 16.734 17.391 -9.045 216 HA ARG 126 HA ARG 126 18.835 17.518 -11.105 217 HB2 ARG 126 2HB ARG 126 19.034 18.931 -8.974 218 HB3 ARG 126 3HB ARG 126 19.313 17.412 -8.133 219 HG2 ARG 126 2HG ARG 126 21.329 17.026 -9.265 220 HG3 ARG 126 3HG ARG 126 20.967 18.240 -10.493 221 HD2 ARG 126 2HD ARG 126 22.151 19.688 -9.291 222 HD3 ARG 126 3HD ARG 126 20.879 19.615 -8.073 223 HE ARG 126 HE ARG 126 22.428 17.488 -7.464 224 HH11 ARG 126 1HH1 ARG 126 23.114 20.857 -8.015 225 HH12 ARG 126 2HH1 ARG 126 24.474 20.890 -6.942 226 HH21 ARG 126 1HH2 ARG 126 24.217 17.519 -6.049 227 HH22 ARG 126 2HH2 ARG 126 25.101 18.990 -5.826 228 H VAL 127 H VAL 127 19.930 15.718 -11.647 229 HA VAL 127 HA VAL 127 18.930 13.180 -10.799 230 HB VAL 127 HB VAL 127 20.828 12.279 -12.213 231 HG11 VAL 127 1HG1 VAL 127 18.583 12.540 -13.097 232 HG12 VAL 127 2HG1 VAL 127 18.908 14.233 -13.476 233 HG13 VAL 127 3HG1 VAL 127 19.776 12.956 -14.328 234 HG21 VAL 127 3HG2 VAL 127 21.262 14.799 -13.575 235 HG22 VAL 127 1HG2 VAL 127 21.831 14.843 -11.907 236 HG23 VAL 127 2HG2 VAL 127 22.432 13.605 -13.011 237 H LEU 128 H LEU 128 19.348 12.677 -8.709 238 HA LEU 128 HA LEU 128 22.057 13.005 -7.668 239 HB2 LEU 128 2HB LEU 128 19.612 12.001 -6.228 240 HB3 LEU 128 3HB LEU 128 21.130 12.536 -5.510 241 HG LEU 128 HG LEU 128 19.740 14.559 -7.131 242 HD11 LEU 128 1HD1 LEU 128 18.269 13.042 -5.190 243 HD12 LEU 128 2HD1 LEU 128 17.730 14.374 -6.213 244 HD13 LEU 128 3HD1 LEU 128 18.461 14.708 -4.643 245 HD21 LEU 128 3HD2 LEU 128 20.393 15.117 -4.346 246 HD22 LEU 128 1HD2 LEU 128 20.901 15.944 -5.819 247 HD23 LEU 128 2HD2 LEU 128 21.762 14.503 -5.273 248 H SER 129 H SER 129 21.246 10.956 -9.696 249 HA SER 129 HA SER 129 21.799 8.497 -8.186 250 HB2 SER 129 2HB SER 129 20.563 9.019 -10.880 251 HB3 SER 129 3HB SER 129 21.200 7.426 -10.468 252 HG SER 129 HG SER 129 19.611 7.129 -9.086 253 H LEU 130 H LEU 130 22.844 10.310 -11.051 254 HA LEU 130 HA LEU 130 24.826 10.396 -12.163 255 HB2 LEU 130 2HB LEU 130 26.009 9.073 -9.732 256 HB3 LEU 130 3HB LEU 130 26.853 10.039 -10.942 257 HG LEU 130 HG LEU 130 24.703 11.238 -9.226 258 HD11 LEU 130 1HD1 LEU 130 25.956 11.212 -7.399 259 HD12 LEU 130 2HD1 LEU 130 27.342 11.850 -8.284 260 HD13 LEU 130 3HD1 LEU 130 27.061 10.110 -8.220 261 HD21 LEU 130 3HD2 LEU 130 25.931 13.294 -9.694 262 HD22 LEU 130 1HD2 LEU 130 25.453 12.487 -11.188 263 HD23 LEU 130 2HD2 LEU 130 27.121 12.381 -10.623 264 H ASN 131 H ASN 131 23.095 7.901 -12.074 265 HA ASN 131 HA ASN 131 25.109 6.046 -13.161 266 HB2 ASN 131 2HB ASN 131 22.700 5.538 -11.451 267 HB3 ASN 131 3HB ASN 131 23.247 4.293 -12.571 268 HD21 ASN 131 1HD2 ASN 131 23.315 4.975 -9.497 269 HD22 ASN 131 2HD2 ASN 131 24.890 4.424 -9.047 270 H CYS 132 H CYS 132 21.925 7.466 -13.498 271 HA CYS 132 HA CYS 132 21.435 6.061 -16.000 272 HB2 CYS 132 2HB CYS 132 19.574 6.388 -14.423 273 HB3 CYS 132 3HB CYS 132 19.769 8.133 -14.557 Start of MODEL 10 1 H CYS 93 H CYS 93 8.868 20.644 -21.035 2 HA CYS 93 HA CYS 93 7.880 21.017 -18.283 3 HB2 CYS 93 2HB CYS 93 8.932 18.744 -17.830 4 HB3 CYS 93 3HB CYS 93 7.455 18.741 -18.787 5 H VAL 94 H VAL 94 9.852 20.098 -16.783 6 HA VAL 94 HA VAL 94 12.009 21.977 -17.310 7 HB VAL 94 HB VAL 94 11.083 20.458 -14.914 8 HG11 VAL 94 1HG1 VAL 94 13.891 21.324 -15.451 9 HG12 VAL 94 2HG1 VAL 94 13.246 21.388 -13.810 10 HG13 VAL 94 3HG1 VAL 94 13.299 19.853 -14.678 11 HG21 VAL 94 3HG2 VAL 94 11.368 22.698 -13.875 12 HG22 VAL 94 1HG2 VAL 94 11.877 23.318 -15.446 13 HG23 VAL 94 2HG2 VAL 94 10.242 22.690 -15.232 14 H ALA 95 H ALA 95 13.928 21.422 -18.099 15 HA ALA 95 HA ALA 95 14.507 18.758 -18.887 16 HB1 ALA 95 1HB ALA 95 16.041 21.327 -18.922 17 HB2 ALA 95 2HB ALA 95 16.829 19.804 -19.334 18 HB3 ALA 95 3HB ALA 95 15.445 20.363 -20.273 19 H THR 96 H THR 96 16.475 20.842 -16.767 20 HA THR 96 HA THR 96 16.639 18.852 -14.710 21 HB THR 96 HB THR 96 19.251 19.453 -16.079 22 HG1 THR 96 HG1 THR 96 19.010 17.640 -17.296 23 HG21 THR 96 3HG2 THR 96 18.429 17.162 -14.296 24 HG22 THR 96 1HG2 THR 96 19.208 18.634 -13.715 25 HG23 THR 96 2HG2 THR 96 20.058 17.567 -14.834 26 H ARG 97 H ARG 97 17.554 19.636 -12.805 27 HA ARG 97 HA ARG 97 17.771 21.342 -11.277 28 HB2 ARG 97 2HB ARG 97 19.906 22.420 -11.418 29 HB3 ARG 97 3HB ARG 97 20.088 20.790 -12.051 30 HG2 ARG 97 2HG ARG 97 19.470 22.902 -14.019 31 HG3 ARG 97 3HG ARG 97 21.066 22.957 -13.268 32 HD2 ARG 97 2HD ARG 97 21.731 20.986 -14.214 33 HD3 ARG 97 3HD ARG 97 20.092 20.340 -14.278 34 HE ARG 97 HE ARG 97 19.824 21.290 -16.352 35 HH11 ARG 97 1HH1 ARG 97 22.697 22.556 -14.848 36 HH12 ARG 97 2HH1 ARG 97 23.256 23.350 -16.282 37 HH21 ARG 97 1HH2 ARG 97 20.549 22.332 -18.248 38 HH22 ARG 97 2HH2 ARG 97 22.033 23.223 -18.216 39 H ASN 98 H ASN 98 15.779 21.969 -13.157 40 HA ASN 98 HA ASN 98 16.213 24.796 -13.788 41 HB2 ASN 98 2HB ASN 98 15.151 22.916 -15.356 42 HB3 ASN 98 3HB ASN 98 13.681 23.409 -14.521 43 HD21 ASN 98 1HD2 ASN 98 14.185 23.720 -17.280 44 HD22 ASN 98 2HD2 ASN 98 14.206 25.413 -17.628 45 H SER 99 H SER 99 13.444 22.888 -12.593 46 HA SER 99 HA SER 99 13.145 24.621 -10.302 47 HB2 SER 99 2HB SER 99 11.413 24.856 -12.703 48 HB3 SER 99 3HB SER 99 10.600 24.878 -11.137 49 HG SER 99 HG SER 99 11.773 26.661 -10.559 50 H CYS 100 H CYS 100 11.877 23.732 -8.686 51 HA CYS 100 HA CYS 100 11.231 20.906 -9.062 52 HB2 CYS 100 2HB CYS 100 12.196 22.525 -6.863 53 HB3 CYS 100 3HB CYS 100 10.780 21.596 -6.385 54 H LYS 101 H LYS 101 9.354 20.512 -7.102 55 HA LYS 101 HA LYS 101 7.126 20.610 -6.636 56 HB2 LYS 101 2HB LYS 101 6.994 23.283 -8.014 57 HB3 LYS 101 3HB LYS 101 5.984 22.678 -6.709 58 HG2 LYS 101 2HG LYS 101 8.882 23.468 -6.519 59 HG3 LYS 101 3HG LYS 101 7.499 24.345 -5.864 60 HD2 LYS 101 2HD LYS 101 7.005 22.450 -4.388 61 HD3 LYS 101 3HD LYS 101 8.397 21.582 -5.040 62 HE2 LYS 101 2HE LYS 101 8.846 22.687 -2.864 63 HE3 LYS 101 3HE LYS 101 9.905 23.234 -4.163 64 HZ1 LYS 101 3HZ LYS 101 8.784 25.257 -4.319 65 HZ2 LYS 101 1HZ LYS 101 8.903 24.992 -2.653 66 HZ3 LYS 101 2HZ LYS 101 7.441 24.704 -3.452 67 HA PRO 102 HA PRO 102 6.360 19.294 -11.007 68 HB2 PRO 102 2HB PRO 102 5.554 16.787 -10.345 69 HB3 PRO 102 3HB PRO 102 7.251 17.217 -10.589 70 HG2 PRO 102 2HG PRO 102 5.719 16.929 -8.034 71 HG3 PRO 102 3HG PRO 102 7.355 16.369 -8.427 72 HD2 PRO 102 2HD PRO 102 6.890 18.623 -6.999 73 HD3 PRO 102 3HD PRO 102 8.285 18.450 -8.083 74 H ALA 103 H ALA 103 4.626 20.997 -10.381 75 HA ALA 103 HA ALA 103 2.047 19.626 -9.975 76 HB1 ALA 103 1HB ALA 103 2.554 21.187 -8.175 77 HB2 ALA 103 2HB ALA 103 2.760 22.489 -9.348 78 HB3 ALA 103 3HB ALA 103 1.176 21.748 -9.124 79 H ALA 104 H ALA 104 3.683 22.234 -11.734 80 HA ALA 104 HA ALA 104 1.447 22.602 -13.527 81 HB1 ALA 104 1HB ALA 104 2.884 24.486 -12.823 82 HB2 ALA 104 2HB ALA 104 4.226 23.758 -13.707 83 HB3 ALA 104 3HB ALA 104 2.792 24.305 -14.575 84 H ALA 105 H ALA 105 3.650 20.228 -13.276 85 HA ALA 105 HA ALA 105 4.126 18.490 -14.697 86 HB1 ALA 105 1HB ALA 105 1.998 19.581 -15.944 87 HB2 ALA 105 2HB ALA 105 3.243 19.824 -17.169 88 HB3 ALA 105 3HB ALA 105 2.903 18.201 -16.566 89 H ALA 106 H ALA 106 6.072 20.238 -13.991 90 HA ALA 106 HA ALA 106 7.709 20.361 -16.430 91 HB1 ALA 106 1HB ALA 106 6.759 22.622 -15.539 92 HB2 ALA 106 2HB ALA 106 8.041 22.463 -14.338 93 HB3 ALA 106 3HB ALA 106 8.441 22.511 -16.056 94 H CYS 107 H CYS 107 8.595 18.352 -15.699 95 HA CYS 107 HA CYS 107 10.994 18.598 -14.280 96 HB2 CYS 107 2HB CYS 107 8.809 18.436 -12.550 97 HB3 CYS 107 3HB CYS 107 9.475 16.807 -12.573 98 H CYS 108 H CYS 108 9.874 17.413 -16.673 99 HA CYS 108 HA CYS 108 9.622 14.636 -16.544 100 HB2 CYS 108 2HB CYS 108 10.386 14.715 -18.967 101 HB3 CYS 108 3HB CYS 108 8.991 15.710 -18.564 102 H ASP 109 H ASP 109 11.097 13.562 -15.318 103 HA ASP 109 HA ASP 109 13.599 12.928 -16.469 104 HB2 ASP 109 2HB ASP 109 13.882 15.282 -15.313 105 HB3 ASP 109 3HB ASP 109 13.989 14.312 -13.846 106 HA PRO 110 HA PRO 110 11.845 9.786 -13.613 107 HB2 PRO 110 2HB PRO 110 12.412 7.688 -15.242 108 HB3 PRO 110 3HB PRO 110 10.947 8.663 -15.407 109 HG2 PRO 110 2HG PRO 110 13.507 8.815 -16.951 110 HG3 PRO 110 3HG PRO 110 11.837 8.905 -17.542 111 HD2 PRO 110 2HD PRO 110 13.376 11.103 -17.180 112 HD3 PRO 110 3HD PRO 110 11.616 11.123 -16.951 113 H CYS 111 H CYS 111 14.899 10.568 -14.807 114 HA CYS 111 HA CYS 111 16.210 8.451 -13.244 115 HB2 CYS 111 2HB CYS 111 16.942 9.968 -15.674 116 HB3 CYS 111 3HB CYS 111 18.254 9.684 -14.535 117 H ALA 112 H ALA 112 15.145 11.513 -12.859 118 HA ALA 112 HA ALA 112 17.304 12.166 -10.963 119 HB1 ALA 112 1HB ALA 112 16.894 13.636 -13.121 120 HB2 ALA 112 2HB ALA 112 15.647 14.352 -12.099 121 HB3 ALA 112 3HB ALA 112 17.330 14.362 -11.574 122 H SER 113 H SER 113 16.283 14.121 -9.505 123 HA SER 113 HA SER 113 13.564 13.551 -8.701 124 HB2 SER 113 2HB SER 113 15.162 11.850 -7.566 125 HB3 SER 113 3HB SER 113 15.675 13.220 -6.583 126 HG SER 113 HG SER 113 13.313 11.799 -6.543 127 H CYS 114 H CYS 114 12.910 14.955 -6.828 128 HA CYS 114 HA CYS 114 13.702 17.637 -7.350 129 HB2 CYS 114 2HB CYS 114 11.407 16.883 -6.611 130 HB3 CYS 114 3HB CYS 114 12.079 16.653 -5.000 131 H TYR 115 H TYR 115 15.661 18.326 -6.760 132 HA TYR 115 HA TYR 115 16.631 17.638 -4.066 133 HB2 TYR 115 2HB TYR 115 18.205 16.828 -5.630 134 HB3 TYR 115 3HB TYR 115 18.093 18.278 -6.620 135 HD1 TYR 115 HD2 TYR 115 19.339 16.970 -3.386 136 HD2 TYR 115 HD1 TYR 115 19.513 20.125 -6.235 137 HE1 TYR 115 HE2 TYR 115 21.287 17.913 -2.216 138 HE2 TYR 115 HE1 TYR 115 21.462 21.076 -5.074 139 HH TYR 115 HH TYR 115 23.371 19.588 -3.167 140 H CYS 116 H CYS 116 17.487 19.251 -2.744 141 HA CYS 116 HA CYS 116 16.953 22.018 -3.605 142 HB2 CYS 116 2HB CYS 116 16.486 20.839 -0.856 143 HB3 CYS 116 3HB CYS 116 16.269 22.532 -1.291 144 H ARG 117 H ARG 117 18.237 23.656 -2.531 145 HA ARG 117 HA ARG 117 20.827 22.612 -1.586 146 HB2 ARG 117 2HB ARG 117 21.577 24.990 -2.494 147 HB3 ARG 117 3HB ARG 117 21.480 23.586 -3.550 148 HG2 ARG 117 2HG ARG 117 20.458 25.332 -4.731 149 HG3 ARG 117 3HG ARG 117 19.128 24.351 -4.110 150 HD2 ARG 117 2HD ARG 117 18.283 26.203 -3.219 151 HD3 ARG 117 3HD ARG 117 19.649 26.215 -2.105 152 HE ARG 117 HE ARG 117 20.430 28.046 -3.205 153 HH11 ARG 117 1HH1 ARG 117 18.345 26.278 -5.362 154 HH12 ARG 117 2HH1 ARG 117 18.458 27.446 -6.637 155 HH21 ARG 117 1HH2 ARG 117 20.586 29.590 -4.876 156 HH22 ARG 117 2HH2 ARG 117 19.733 29.328 -6.360 157 H PHE 118 H PHE 118 22.012 24.890 -0.718 158 HA PHE 118 HA PHE 118 21.258 25.221 1.854 159 HB2 PHE 118 2HB PHE 118 22.463 27.272 -0.005 160 HB3 PHE 118 3HB PHE 118 22.313 27.522 1.731 161 HD1 PHE 118 HD2 PHE 118 23.470 25.891 3.280 162 HD2 PHE 118 HD1 PHE 118 24.255 26.076 -0.899 163 HE1 PHE 118 HE2 PHE 118 25.603 24.717 3.633 164 HE2 PHE 118 HE1 PHE 118 26.389 24.902 -0.553 165 HZ PHE 118 HZ PHE 118 27.067 24.222 1.716 166 H PHE 119 H PHE 119 20.266 27.443 -0.755 167 HA PHE 119 HA PHE 119 18.589 29.087 0.665 168 HB2 PHE 119 2HB PHE 119 19.257 28.983 -1.903 169 HB3 PHE 119 3HB PHE 119 17.680 28.209 -2.038 170 HD1 PHE 119 HD2 PHE 119 19.035 31.103 -0.102 171 HD2 PHE 119 HD1 PHE 119 16.071 29.649 -2.789 172 HE1 PHE 119 HE2 PHE 119 17.956 33.314 -0.103 173 HE2 PHE 119 HE1 PHE 119 14.988 31.857 -2.795 174 HZ PHE 119 HZ PHE 119 15.929 33.694 -1.450 175 H ARG 120 H ARG 120 17.805 25.958 -0.805 176 HA ARG 120 HA ARG 120 16.110 24.485 -0.443 177 HB2 ARG 120 2HB ARG 120 16.404 25.904 2.117 178 HB3 ARG 120 3HB ARG 120 14.832 25.153 1.878 179 HG2 ARG 120 2HG ARG 120 17.441 23.691 1.560 180 HG3 ARG 120 3HG ARG 120 16.515 23.739 3.061 181 HD2 ARG 120 2HD ARG 120 14.696 22.588 2.086 182 HD3 ARG 120 3HD ARG 120 15.325 22.823 0.456 183 HE ARG 120 HE ARG 120 17.263 21.374 1.667 184 HH11 ARG 120 1HH1 ARG 120 13.821 20.966 1.332 185 HH12 ARG 120 2HH1 ARG 120 13.892 19.236 1.361 186 HH21 ARG 120 1HH2 ARG 120 17.369 19.095 1.706 187 HH22 ARG 120 2HH2 ARG 120 15.910 18.172 1.575 188 H SER 121 H SER 121 15.677 27.211 -1.682 189 HA SER 121 HA SER 121 12.738 27.216 -1.477 190 HB2 SER 121 2HB SER 121 14.383 29.304 -0.728 191 HB3 SER 121 3HB SER 121 13.915 29.744 -2.370 192 HG SER 121 HG SER 121 12.053 28.944 -0.392 193 H ALA 122 H ALA 122 15.572 27.574 -3.508 194 HA ALA 122 HA ALA 122 13.875 27.610 -5.904 195 HB1 ALA 122 1HB ALA 122 15.359 29.322 -6.211 196 HB2 ALA 122 2HB ALA 122 16.654 28.507 -5.331 197 HB3 ALA 122 3HB ALA 122 16.249 28.003 -6.972 198 H CYS 123 H CYS 123 13.805 25.205 -4.697 199 HA CYS 123 HA CYS 123 15.834 23.389 -5.425 200 HB2 CYS 123 2HB CYS 123 12.905 22.760 -5.021 201 HB3 CYS 123 3HB CYS 123 14.262 21.650 -4.855 202 H TYR 124 H TYR 124 15.674 21.648 -7.006 203 HA TYR 124 HA TYR 124 13.885 21.992 -9.247 204 HB2 TYR 124 2HB TYR 124 16.004 22.026 -10.799 205 HB3 TYR 124 3HB TYR 124 15.369 23.525 -10.133 206 HD1 TYR 124 HD1 TYR 124 17.616 20.841 -8.808 207 HD2 TYR 124 HD2 TYR 124 17.068 24.986 -9.601 208 HE1 TYR 124 HE1 TYR 124 19.811 21.318 -7.805 209 HE2 TYR 124 HE2 TYR 124 19.262 25.473 -8.603 210 HH TYR 124 HH TYR 124 21.491 22.958 -7.746 211 H CYS 125 H CYS 125 14.301 20.319 -10.949 212 HA CYS 125 HA CYS 125 14.623 17.773 -9.711 213 HB2 CYS 125 2HB CYS 125 13.854 18.795 -12.368 214 HB3 CYS 125 3HB CYS 125 14.629 17.214 -12.377 215 H ARG 126 H ARG 126 16.674 17.437 -8.969 216 HA ARG 126 HA ARG 126 18.874 17.644 -10.907 217 HB2 ARG 126 2HB ARG 126 18.986 18.846 -8.656 218 HB3 ARG 126 3HB ARG 126 19.154 17.252 -7.932 219 HG2 ARG 126 2HG ARG 126 21.344 17.914 -8.135 220 HG3 ARG 126 3HG ARG 126 21.114 16.985 -9.618 221 HD2 ARG 126 2HD ARG 126 20.412 19.817 -9.858 222 HD3 ARG 126 3HD ARG 126 22.110 19.527 -9.480 223 HE ARG 126 HE ARG 126 20.764 18.962 -11.952 224 HH11 ARG 126 1HH1 ARG 126 23.444 18.108 -9.901 225 HH12 ARG 126 2HH1 ARG 126 24.402 17.471 -11.196 226 HH21 ARG 126 1HH2 ARG 126 22.017 18.128 -13.666 227 HH22 ARG 126 2HH2 ARG 126 23.590 17.484 -13.338 228 H VAL 127 H VAL 127 19.999 15.885 -11.538 229 HA VAL 127 HA VAL 127 18.902 13.296 -11.009 230 HB VAL 127 HB VAL 127 20.872 12.500 -12.392 231 HG11 VAL 127 1HG1 VAL 127 19.974 13.650 -14.496 232 HG12 VAL 127 2HG1 VAL 127 18.833 12.719 -13.522 233 HG13 VAL 127 3HG1 VAL 127 18.860 14.481 -13.410 234 HG21 VAL 127 3HG2 VAL 127 22.535 13.874 -12.948 235 HG22 VAL 127 1HG2 VAL 127 21.410 15.113 -13.504 236 HG23 VAL 127 2HG2 VAL 127 21.861 15.032 -11.801 237 H LEU 128 H LEU 128 19.176 12.766 -8.867 238 HA LEU 128 HA LEU 128 21.854 12.840 -7.718 239 HB2 LEU 128 2HB LEU 128 19.106 12.390 -6.638 240 HB3 LEU 128 3HB LEU 128 20.509 11.858 -5.713 241 HG LEU 128 HG LEU 128 19.710 14.026 -4.944 242 HD11 LEU 128 1HD1 LEU 128 22.236 14.708 -6.349 243 HD12 LEU 128 2HD1 LEU 128 22.241 13.335 -5.243 244 HD13 LEU 128 3HD1 LEU 128 21.781 14.934 -4.660 245 HD21 LEU 128 3HD2 LEU 128 18.711 14.828 -7.011 246 HD22 LEU 128 1HD2 LEU 128 20.307 14.955 -7.752 247 HD23 LEU 128 2HD2 LEU 128 19.880 15.997 -6.395 248 H SER 129 H SER 129 21.025 10.959 -9.889 249 HA SER 129 HA SER 129 21.245 8.377 -8.528 250 HB2 SER 129 2HB SER 129 20.542 9.164 -11.354 251 HB3 SER 129 3HB SER 129 20.895 7.494 -10.910 252 HG SER 129 HG SER 129 18.656 7.958 -10.798 253 H LEU 130 H LEU 130 22.865 10.311 -11.019 254 HA LEU 130 HA LEU 130 25.002 10.319 -11.793 255 HB2 LEU 130 2HB LEU 130 25.703 8.636 -9.401 256 HB3 LEU 130 3HB LEU 130 26.767 9.692 -10.327 257 HG LEU 130 HG LEU 130 24.449 10.729 -8.711 258 HD11 LEU 130 1HD1 LEU 130 26.614 11.406 -7.258 259 HD12 LEU 130 2HD1 LEU 130 27.111 9.820 -7.844 260 HD13 LEU 130 3HD1 LEU 130 25.612 9.992 -6.931 261 HD21 LEU 130 3HD2 LEU 130 26.751 11.917 -10.188 262 HD22 LEU 130 1HD2 LEU 130 26.121 12.742 -8.762 263 HD23 LEU 130 2HD2 LEU 130 25.063 12.423 -10.137 264 H ASN 131 H ASN 131 23.096 8.067 -12.339 265 HA ASN 131 HA ASN 131 25.094 6.103 -13.254 266 HB2 ASN 131 2HB ASN 131 22.411 5.715 -12.003 267 HB3 ASN 131 3HB ASN 131 22.931 4.563 -13.230 268 HD21 ASN 131 1HD2 ASN 131 22.454 3.825 -10.615 269 HD22 ASN 131 2HD2 ASN 131 23.945 3.361 -9.877 270 H CYS 132 H CYS 132 22.158 7.883 -13.968 271 HA CYS 132 HA CYS 132 21.859 6.766 -16.603 272 HB2 CYS 132 2HB CYS 132 20.559 9.191 -15.343 273 HB3 CYS 132 3HB CYS 132 20.079 8.451 -16.867 Start of MODEL 11 1 H CYS 93 H CYS 93 9.414 21.569 -21.001 2 HA CYS 93 HA CYS 93 8.260 21.677 -18.459 3 HB2 CYS 93 2HB CYS 93 8.968 19.347 -17.684 4 HB3 CYS 93 3HB CYS 93 7.501 19.448 -18.652 5 H VAL 94 H VAL 94 10.044 20.690 -16.781 6 HA VAL 94 HA VAL 94 12.391 22.259 -17.306 7 HB VAL 94 HB VAL 94 11.448 20.614 -14.986 8 HG11 VAL 94 1HG1 VAL 94 13.598 21.382 -13.840 9 HG12 VAL 94 2HG1 VAL 94 13.717 20.019 -14.956 10 HG13 VAL 94 3HG1 VAL 94 14.233 21.627 -15.467 11 HG21 VAL 94 3HG2 VAL 94 11.946 23.493 -15.581 12 HG22 VAL 94 1HG2 VAL 94 10.554 22.723 -14.818 13 HG23 VAL 94 2HG2 VAL 94 12.054 22.929 -13.914 14 H ALA 95 H ALA 95 14.348 21.605 -17.969 15 HA ALA 95 HA ALA 95 14.660 18.906 -18.924 16 HB1 ALA 95 1HB ALA 95 15.809 20.107 -20.415 17 HB2 ALA 95 2HB ALA 95 15.996 21.467 -19.308 18 HB3 ALA 95 3HB ALA 95 17.112 20.103 -19.227 19 H THR 96 H THR 96 16.769 20.913 -16.859 20 HA THR 96 HA THR 96 17.001 18.861 -14.870 21 HB THR 96 HB THR 96 19.571 19.497 -16.295 22 HG1 THR 96 HG1 THR 96 19.215 17.316 -17.240 23 HG21 THR 96 3HG2 THR 96 20.507 17.874 -14.984 24 HG22 THR 96 1HG2 THR 96 19.010 16.950 -14.866 25 HG23 THR 96 2HG2 THR 96 19.225 18.409 -13.897 26 H ARG 97 H ARG 97 17.887 19.612 -12.965 27 HA ARG 97 HA ARG 97 18.129 21.301 -11.415 28 HB2 ARG 97 2HB ARG 97 20.319 22.311 -11.526 29 HB3 ARG 97 3HB ARG 97 20.428 20.645 -12.080 30 HG2 ARG 97 2HG ARG 97 19.998 22.727 -14.139 31 HG3 ARG 97 3HG ARG 97 21.581 22.665 -13.361 32 HD2 ARG 97 2HD ARG 97 20.752 20.012 -14.025 33 HD3 ARG 97 3HD ARG 97 20.592 21.040 -15.448 34 HE ARG 97 HE ARG 97 23.008 20.104 -14.303 35 HH11 ARG 97 1HH1 ARG 97 21.597 22.882 -15.856 36 HH12 ARG 97 2HH1 ARG 97 23.102 23.452 -16.496 37 HH21 ARG 97 1HH2 ARG 97 24.996 20.844 -15.141 38 HH22 ARG 97 2HH2 ARG 97 25.035 22.291 -16.090 39 H ASN 98 H ASN 98 16.183 22.061 -13.235 40 HA ASN 98 HA ASN 98 16.777 24.900 -13.736 41 HB2 ASN 98 2HB ASN 98 15.972 23.224 -15.602 42 HB3 ASN 98 3HB ASN 98 14.384 23.527 -14.900 43 HD21 ASN 98 1HD2 ASN 98 14.646 24.220 -17.421 44 HD22 ASN 98 2HD2 ASN 98 14.789 25.931 -17.610 45 H SER 99 H SER 99 14.194 22.724 -12.616 46 HA SER 99 HA SER 99 13.522 24.253 -10.376 47 HB2 SER 99 2HB SER 99 12.518 25.988 -11.480 48 HB3 SER 99 3HB SER 99 12.148 25.010 -12.900 49 HG SER 99 HG SER 99 10.779 25.057 -10.419 50 H CYS 100 H CYS 100 11.886 23.302 -9.132 51 HA CYS 100 HA CYS 100 11.235 20.582 -9.938 52 HB2 CYS 100 2HB CYS 100 11.332 22.078 -7.367 53 HB3 CYS 100 3HB CYS 100 10.205 20.729 -7.473 54 H LYS 101 H LYS 101 9.184 22.471 -7.829 55 HA LYS 101 HA LYS 101 6.872 22.542 -7.828 56 HB2 LYS 101 2HB LYS 101 7.819 24.031 -10.262 57 HB3 LYS 101 3HB LYS 101 6.111 23.980 -9.844 58 HG2 LYS 101 2HG LYS 101 6.943 25.977 -8.929 59 HG3 LYS 101 3HG LYS 101 6.770 24.864 -7.570 60 HD2 LYS 101 2HD LYS 101 9.383 24.648 -8.800 61 HD3 LYS 101 3HD LYS 101 9.047 26.300 -8.276 62 HE2 LYS 101 2HE LYS 101 8.592 23.923 -6.494 63 HE3 LYS 101 3HE LYS 101 10.149 24.745 -6.586 64 HZ1 LYS 101 3HZ LYS 101 9.395 26.254 -5.176 65 HZ2 LYS 101 1HZ LYS 101 7.903 25.462 -5.085 66 HZ3 LYS 101 2HZ LYS 101 8.149 26.673 -6.239 67 HA PRO 102 HA PRO 102 6.400 19.044 -10.951 68 HB2 PRO 102 2HB PRO 102 5.904 17.086 -9.137 69 HB3 PRO 102 3HB PRO 102 7.533 17.498 -9.686 70 HG2 PRO 102 2HG PRO 102 6.115 18.315 -7.179 71 HG3 PRO 102 3HG PRO 102 7.793 17.782 -7.393 72 HD2 PRO 102 2HD PRO 102 7.113 20.392 -7.146 73 HD3 PRO 102 3HD PRO 102 8.489 19.853 -8.131 74 H ALA 103 H ALA 103 4.497 20.632 -11.119 75 HA ALA 103 HA ALA 103 2.089 19.183 -10.335 76 HB1 ALA 103 1HB ALA 103 1.034 21.437 -9.719 77 HB2 ALA 103 2HB ALA 103 2.117 20.684 -8.547 78 HB3 ALA 103 3HB ALA 103 2.693 22.015 -9.551 79 H ALA 104 H ALA 104 3.372 22.026 -12.045 80 HA ALA 104 HA ALA 104 1.186 21.937 -13.957 81 HB1 ALA 104 1HB ALA 104 3.579 23.768 -13.904 82 HB2 ALA 104 2HB ALA 104 2.109 23.971 -14.856 83 HB3 ALA 104 3HB ALA 104 2.045 24.093 -13.099 84 H ALA 105 H ALA 105 3.723 20.049 -13.621 85 HA ALA 105 HA ALA 105 4.666 18.545 -15.078 86 HB1 ALA 105 1HB ALA 105 2.578 19.213 -16.514 87 HB2 ALA 105 2HB ALA 105 3.780 20.074 -17.477 88 HB3 ALA 105 3HB ALA 105 3.923 18.333 -17.239 89 H ALA 106 H ALA 106 6.321 20.207 -13.967 90 HA ALA 106 HA ALA 106 8.112 21.042 -16.142 91 HB1 ALA 106 1HB ALA 106 7.895 22.643 -13.615 92 HB2 ALA 106 2HB ALA 106 8.621 23.098 -15.157 93 HB3 ALA 106 3HB ALA 106 6.868 22.975 -15.011 94 H CYS 107 H CYS 107 8.467 18.628 -15.117 95 HA CYS 107 HA CYS 107 11.031 18.813 -13.859 96 HB2 CYS 107 2HB CYS 107 9.030 18.863 -12.051 97 HB3 CYS 107 3HB CYS 107 9.214 17.122 -12.239 98 H CYS 108 H CYS 108 9.621 17.672 -16.226 99 HA CYS 108 HA CYS 108 9.372 14.916 -16.142 100 HB2 CYS 108 2HB CYS 108 10.020 15.013 -18.596 101 HB3 CYS 108 3HB CYS 108 8.676 16.043 -18.113 102 H ASP 109 H ASP 109 10.836 13.665 -15.140 103 HA ASP 109 HA ASP 109 13.273 13.034 -16.374 104 HB2 ASP 109 2HB ASP 109 13.618 15.363 -15.089 105 HB3 ASP 109 3HB ASP 109 13.921 14.262 -13.747 106 HA PRO 110 HA PRO 110 11.561 9.890 -13.488 107 HB2 PRO 110 2HB PRO 110 11.939 7.813 -15.196 108 HB3 PRO 110 3HB PRO 110 10.508 8.848 -15.245 109 HG2 PRO 110 2HG PRO 110 12.969 8.938 -16.946 110 HG3 PRO 110 3HG PRO 110 11.270 9.108 -17.426 111 HD2 PRO 110 2HD PRO 110 12.917 11.236 -17.115 112 HD3 PRO 110 3HD PRO 110 11.176 11.317 -16.773 113 H CYS 111 H CYS 111 14.564 10.571 -14.871 114 HA CYS 111 HA CYS 111 15.881 8.376 -13.424 115 HB2 CYS 111 2HB CYS 111 16.433 9.765 -15.934 116 HB3 CYS 111 3HB CYS 111 17.845 9.670 -14.886 117 H ALA 112 H ALA 112 14.979 11.471 -12.932 118 HA ALA 112 HA ALA 112 17.325 12.044 -11.239 119 HB1 ALA 112 1HB ALA 112 16.678 13.576 -13.292 120 HB2 ALA 112 2HB ALA 112 15.549 14.257 -12.119 121 HB3 ALA 112 3HB ALA 112 17.279 14.261 -11.781 122 H SER 113 H SER 113 16.357 14.078 -9.722 123 HA SER 113 HA SER 113 13.809 13.337 -8.569 124 HB2 SER 113 2HB SER 113 15.817 11.890 -7.597 125 HB3 SER 113 3HB SER 113 16.065 13.334 -6.616 126 HG SER 113 HG SER 113 13.769 11.686 -6.763 127 H CYS 114 H CYS 114 13.028 14.869 -7.033 128 HA CYS 114 HA CYS 114 13.821 17.539 -7.604 129 HB2 CYS 114 2HB CYS 114 11.487 16.845 -7.052 130 HB3 CYS 114 3HB CYS 114 12.003 16.563 -5.392 131 H TYR 115 H TYR 115 15.862 18.031 -6.952 132 HA TYR 115 HA TYR 115 16.581 17.550 -4.149 133 HB2 TYR 115 2HB TYR 115 18.329 16.747 -5.449 134 HB3 TYR 115 3HB TYR 115 18.162 18.025 -6.648 135 HD1 TYR 115 HD1 TYR 115 19.447 17.217 -3.284 136 HD2 TYR 115 HD2 TYR 115 19.336 20.092 -6.419 137 HE1 TYR 115 HE1 TYR 115 21.272 18.460 -2.201 138 HE2 TYR 115 HE2 TYR 115 21.162 21.342 -5.345 139 HH TYR 115 HH TYR 115 22.971 20.970 -3.772 140 H CYS 116 H CYS 116 17.123 19.190 -2.762 141 HA CYS 116 HA CYS 116 16.594 21.923 -3.729 142 HB2 CYS 116 2HB CYS 116 16.225 20.860 -0.921 143 HB3 CYS 116 3HB CYS 116 15.803 22.470 -1.496 144 H ARG 117 H ARG 117 17.788 23.648 -2.686 145 HA ARG 117 HA ARG 117 20.445 22.759 -1.775 146 HB2 ARG 117 2HB ARG 117 20.988 25.230 -2.602 147 HB3 ARG 117 3HB ARG 117 21.004 23.854 -3.698 148 HG2 ARG 117 2HG ARG 117 19.842 25.679 -4.733 149 HG3 ARG 117 3HG ARG 117 18.688 24.398 -4.358 150 HD2 ARG 117 2HD ARG 117 17.663 25.616 -2.709 151 HD3 ARG 117 3HD ARG 117 19.115 26.547 -2.347 152 HE ARG 117 HE ARG 117 17.064 27.218 -4.222 153 HH11 ARG 117 1HH1 ARG 117 20.452 27.561 -3.500 154 HH12 ARG 117 2HH1 ARG 117 20.626 29.039 -4.387 155 HH21 ARG 117 1HH2 ARG 117 17.279 29.163 -5.395 156 HH22 ARG 117 2HH2 ARG 117 18.820 29.949 -5.465 157 H PHE 118 H PHE 118 21.500 25.040 -0.813 158 HA PHE 118 HA PHE 118 20.748 25.230 1.774 159 HB2 PHE 118 2HB PHE 118 21.833 27.412 -0.008 160 HB3 PHE 118 3HB PHE 118 21.681 27.586 1.738 161 HD1 PHE 118 HD2 PHE 118 22.966 26.038 3.231 162 HD2 PHE 118 HD1 PHE 118 23.644 26.265 -0.965 163 HE1 PHE 118 HE2 PHE 118 25.159 24.963 3.530 164 HE2 PHE 118 HE1 PHE 118 25.837 25.190 -0.673 165 HZ PHE 118 HZ PHE 118 26.598 24.539 1.577 166 H PHE 119 H PHE 119 19.607 27.473 -0.753 167 HA PHE 119 HA PHE 119 17.877 29.003 0.719 168 HB2 PHE 119 2HB PHE 119 18.474 28.878 -1.898 169 HB3 PHE 119 3HB PHE 119 16.875 28.142 -1.939 170 HD1 PHE 119 HD2 PHE 119 18.459 31.031 -0.178 171 HD2 PHE 119 HD1 PHE 119 15.205 29.589 -2.513 172 HE1 PHE 119 HE2 PHE 119 17.433 33.267 -0.123 173 HE2 PHE 119 HE1 PHE 119 14.173 31.822 -2.461 174 HZ PHE 119 HZ PHE 119 15.287 33.664 -1.263 175 H ARG 120 H ARG 120 17.167 25.888 -0.832 176 HA ARG 120 HA ARG 120 15.563 24.323 -0.439 177 HB2 ARG 120 2HB ARG 120 16.393 24.816 1.966 178 HB3 ARG 120 3HB ARG 120 14.883 25.698 2.143 179 HG2 ARG 120 2HG ARG 120 14.306 23.637 2.960 180 HG3 ARG 120 3HG ARG 120 13.814 23.488 1.272 181 HD2 ARG 120 2HD ARG 120 15.786 22.260 0.729 182 HD3 ARG 120 3HD ARG 120 16.495 22.592 2.308 183 HE ARG 120 HE ARG 120 14.117 21.256 2.775 184 HH11 ARG 120 1HH1 ARG 120 17.143 20.633 1.168 185 HH12 ARG 120 2HH1 ARG 120 17.095 18.926 1.459 186 HH21 ARG 120 1HH2 ARG 120 14.044 19.008 3.163 187 HH22 ARG 120 2HH2 ARG 120 15.332 18.003 2.593 188 H SER 121 H SER 121 14.975 27.190 -1.427 189 HA SER 121 HA SER 121 12.045 27.021 -1.152 190 HB2 SER 121 2HB SER 121 13.809 29.217 -0.654 191 HB3 SER 121 3HB SER 121 12.789 29.621 -2.034 192 HG SER 121 HG SER 121 12.118 29.768 0.465 193 H ALA 122 H ALA 122 14.696 26.891 -3.255 194 HA ALA 122 HA ALA 122 12.884 26.997 -5.573 195 HB1 ALA 122 1HB ALA 122 14.010 28.934 -5.998 196 HB2 ALA 122 2HB ALA 122 15.471 28.400 -5.167 197 HB3 ALA 122 3HB ALA 122 15.099 27.786 -6.777 198 H CYS 123 H CYS 123 12.988 24.621 -4.802 199 HA CYS 123 HA CYS 123 15.334 23.113 -5.344 200 HB2 CYS 123 2HB CYS 123 12.502 22.067 -5.328 201 HB3 CYS 123 3HB CYS 123 13.980 21.173 -4.991 202 H TYR 124 H TYR 124 15.612 21.532 -7.040 203 HA TYR 124 HA TYR 124 14.050 21.957 -9.471 204 HB2 TYR 124 2HB TYR 124 16.404 21.954 -10.672 205 HB3 TYR 124 3HB TYR 124 15.693 23.450 -10.077 206 HD1 TYR 124 HD1 TYR 124 18.266 20.893 -9.458 207 HD2 TYR 124 HD2 TYR 124 16.673 24.645 -8.240 208 HE1 TYR 124 HE1 TYR 124 20.272 21.293 -8.091 209 HE2 TYR 124 HE2 TYR 124 18.674 25.056 -6.870 210 HH TYR 124 HH TYR 124 21.356 23.924 -7.143 211 H CYS 125 H CYS 125 14.513 20.327 -11.140 212 HA CYS 125 HA CYS 125 14.724 17.724 -9.964 213 HB2 CYS 125 2HB CYS 125 13.926 18.860 -12.540 214 HB3 CYS 125 3HB CYS 125 14.790 17.334 -12.695 215 H ARG 126 H ARG 126 16.758 17.326 -9.207 216 HA ARG 126 HA ARG 126 18.971 17.506 -11.139 217 HB2 ARG 126 2HB ARG 126 19.175 18.791 -8.989 218 HB3 ARG 126 3HB ARG 126 19.173 17.253 -8.137 219 HG2 ARG 126 2HG ARG 126 21.269 16.684 -8.873 220 HG3 ARG 126 3HG ARG 126 21.155 17.697 -10.314 221 HD2 ARG 126 2HD ARG 126 21.013 19.177 -7.793 222 HD3 ARG 126 3HD ARG 126 22.538 18.326 -8.041 223 HE ARG 126 HE ARG 126 21.592 20.632 -9.460 224 HH11 ARG 126 1HH1 ARG 126 23.635 17.819 -9.642 225 HH12 ARG 126 2HH1 ARG 126 24.679 18.494 -10.847 226 HH21 ARG 126 1HH2 ARG 126 22.959 21.531 -11.049 227 HH22 ARG 126 2HH2 ARG 126 24.295 20.607 -11.647 228 H VAL 127 H VAL 127 20.057 15.716 -11.741 229 HA VAL 127 HA VAL 127 18.947 13.152 -11.052 230 HB VAL 127 HB VAL 127 20.753 12.272 -12.576 231 HG11 VAL 127 1HG1 VAL 127 18.739 14.303 -13.485 232 HG12 VAL 127 2HG1 VAL 127 19.735 13.408 -14.635 233 HG13 VAL 127 3HG1 VAL 127 18.645 12.543 -13.552 234 HG21 VAL 127 3HG2 VAL 127 22.442 13.565 -13.221 235 HG22 VAL 127 1HG2 VAL 127 21.326 14.778 -13.848 236 HG23 VAL 127 2HG2 VAL 127 21.830 14.833 -12.160 237 H LEU 128 H LEU 128 19.444 12.284 -9.141 238 HA LEU 128 HA LEU 128 22.169 12.580 -8.099 239 HB2 LEU 128 2HB LEU 128 19.722 11.516 -6.701 240 HB3 LEU 128 3HB LEU 128 21.276 11.901 -5.964 241 HG LEU 128 HG LEU 128 19.954 14.142 -7.342 242 HD11 LEU 128 1HD1 LEU 128 18.473 12.512 -5.492 243 HD12 LEU 128 2HD1 LEU 128 17.957 13.934 -6.398 244 HD13 LEU 128 3HD1 LEU 128 18.739 14.124 -4.829 245 HD21 LEU 128 3HD2 LEU 128 21.660 13.621 -4.988 246 HD22 LEU 128 1HD2 LEU 128 20.549 14.986 -4.867 247 HD23 LEU 128 2HD2 LEU 128 21.727 14.923 -6.178 248 H SER 129 H SER 129 21.374 10.734 -10.277 249 HA SER 129 HA SER 129 21.880 8.142 -8.990 250 HB2 SER 129 2HB SER 129 20.742 8.866 -11.691 251 HB3 SER 129 3HB SER 129 21.222 7.222 -11.270 252 HG SER 129 HG SER 129 19.453 8.694 -9.639 253 H LEU 130 H LEU 130 22.984 10.241 -11.618 254 HA LEU 130 HA LEU 130 24.962 10.393 -12.728 255 HB2 LEU 130 2HB LEU 130 26.118 8.811 -10.444 256 HB3 LEU 130 3HB LEU 130 26.976 9.893 -11.539 257 HG LEU 130 HG LEU 130 24.833 10.911 -9.700 258 HD11 LEU 130 1HD1 LEU 130 26.214 9.990 -8.100 259 HD12 LEU 130 2HD1 LEU 130 26.904 11.600 -8.290 260 HD13 LEU 130 3HD1 LEU 130 27.669 10.217 -9.070 261 HD21 LEU 130 3HD2 LEU 130 25.335 12.585 -11.187 262 HD22 LEU 130 1HD2 LEU 130 27.011 12.066 -11.374 263 HD23 LEU 130 2HD2 LEU 130 26.509 12.915 -9.912 264 H ASN 131 H ASN 131 23.191 7.948 -12.928 265 HA ASN 131 HA ASN 131 25.187 6.164 -14.162 266 HB2 ASN 131 2HB ASN 131 22.704 5.531 -12.597 267 HB3 ASN 131 3HB ASN 131 23.315 4.389 -13.791 268 HD21 ASN 131 1HD2 ASN 131 23.654 2.912 -12.076 269 HD22 ASN 131 2HD2 ASN 131 25.035 3.054 -11.048 270 H CYS 132 H CYS 132 22.041 7.685 -14.411 271 HA CYS 132 HA CYS 132 21.289 6.473 -16.872 272 HB2 CYS 132 2HB CYS 132 20.350 8.983 -15.476 273 HB3 CYS 132 3HB CYS 132 19.637 8.386 -16.972 Start of MODEL 12 1 H CYS 93 H CYS 93 9.305 21.136 -20.928 2 HA CYS 93 HA CYS 93 8.125 21.097 -18.306 3 HB2 CYS 93 2HB CYS 93 9.139 18.775 -17.838 4 HB3 CYS 93 3HB CYS 93 7.608 18.845 -18.704 5 H VAL 94 H VAL 94 10.019 20.133 -16.747 6 HA VAL 94 HA VAL 94 12.240 21.934 -17.210 7 HB VAL 94 HB VAL 94 11.277 20.329 -14.885 8 HG11 VAL 94 1HG1 VAL 94 14.094 21.282 -15.305 9 HG12 VAL 94 2HG1 VAL 94 13.408 21.076 -13.692 10 HG13 VAL 94 3HG1 VAL 94 13.534 19.694 -14.782 11 HG21 VAL 94 3HG2 VAL 94 12.037 23.201 -15.368 12 HG22 VAL 94 1HG2 VAL 94 10.441 22.541 -15.014 13 HG23 VAL 94 2HG2 VAL 94 11.685 22.557 -13.764 14 H ALA 95 H ALA 95 14.175 21.378 -17.968 15 HA ALA 95 HA ALA 95 14.688 18.692 -18.813 16 HB1 ALA 95 1HB ALA 95 17.076 20.054 -19.063 17 HB2 ALA 95 2HB ALA 95 15.824 19.907 -20.297 18 HB3 ALA 95 3HB ALA 95 15.856 21.317 -19.237 19 H THR 96 H THR 96 16.658 20.839 -16.752 20 HA THR 96 HA THR 96 16.955 18.848 -14.714 21 HB THR 96 HB THR 96 19.510 19.548 -16.140 22 HG1 THR 96 HG1 THR 96 18.171 17.081 -16.501 23 HG21 THR 96 3HG2 THR 96 19.470 16.990 -14.879 24 HG22 THR 96 1HG2 THR 96 18.847 18.187 -13.743 25 HG23 THR 96 2HG2 THR 96 20.439 18.406 -14.469 26 H ARG 97 H ARG 97 17.897 19.657 -12.832 27 HA ARG 97 HA ARG 97 18.091 21.366 -11.303 28 HB2 ARG 97 2HB ARG 97 20.182 22.524 -11.498 29 HB3 ARG 97 3HB ARG 97 20.404 20.896 -12.128 30 HG2 ARG 97 2HG ARG 97 19.668 22.977 -14.090 31 HG3 ARG 97 3HG ARG 97 21.279 23.089 -13.378 32 HD2 ARG 97 2HD ARG 97 21.983 21.126 -14.322 33 HD3 ARG 97 3HD ARG 97 20.359 20.439 -14.363 34 HE ARG 97 HE ARG 97 20.036 21.386 -16.431 35 HH11 ARG 97 1HH1 ARG 97 22.909 22.705 -14.974 36 HH12 ARG 97 2HH1 ARG 97 23.429 23.509 -16.419 37 HH21 ARG 97 1HH2 ARG 97 20.711 22.439 -18.339 38 HH22 ARG 97 2HH2 ARG 97 22.179 23.357 -18.332 39 H ASN 98 H ASN 98 16.023 21.933 -13.105 40 HA ASN 98 HA ASN 98 16.342 24.798 -13.668 41 HB2 ASN 98 2HB ASN 98 15.474 22.974 -15.381 42 HB3 ASN 98 3HB ASN 98 13.942 23.258 -14.560 43 HD21 ASN 98 1HD2 ASN 98 14.621 23.828 -17.293 44 HD22 ASN 98 2HD2 ASN 98 14.425 25.530 -17.513 45 H SER 99 H SER 99 13.684 22.658 -12.623 46 HA SER 99 HA SER 99 13.207 24.186 -10.249 47 HB2 SER 99 2HB SER 99 12.150 25.740 -11.741 48 HB3 SER 99 3HB SER 99 11.302 24.444 -12.583 49 HG SER 99 HG SER 99 9.884 25.401 -11.147 50 H CYS 100 H CYS 100 11.814 23.157 -8.820 51 HA CYS 100 HA CYS 100 11.089 20.419 -9.594 52 HB2 CYS 100 2HB CYS 100 12.502 21.330 -7.418 53 HB3 CYS 100 3HB CYS 100 10.885 21.121 -6.753 54 H LYS 101 H LYS 101 9.295 19.950 -7.461 55 HA LYS 101 HA LYS 101 7.093 20.101 -6.905 56 HB2 LYS 101 2HB LYS 101 7.920 22.850 -7.337 57 HB3 LYS 101 3HB LYS 101 6.228 22.615 -7.759 58 HG2 LYS 101 2HG LYS 101 6.342 23.288 -5.477 59 HG3 LYS 101 3HG LYS 101 5.880 21.585 -5.521 60 HD2 LYS 101 2HD LYS 101 7.501 21.764 -3.816 61 HD3 LYS 101 3HD LYS 101 8.341 21.057 -5.198 62 HE2 LYS 101 2HE LYS 101 9.863 22.666 -4.899 63 HE3 LYS 101 3HE LYS 101 8.666 23.760 -5.591 64 HZ1 LYS 101 3HZ LYS 101 7.832 24.079 -3.267 65 HZ2 LYS 101 1HZ LYS 101 9.375 24.705 -3.564 66 HZ3 LYS 101 2HZ LYS 101 9.201 23.249 -2.722 67 HA PRO 102 HA PRO 102 6.024 19.203 -11.307 68 HB2 PRO 102 2HB PRO 102 5.013 16.737 -10.784 69 HB3 PRO 102 3HB PRO 102 6.733 17.031 -11.069 70 HG2 PRO 102 2HG PRO 102 5.272 16.699 -8.477 71 HG3 PRO 102 3HG PRO 102 6.835 16.024 -8.976 72 HD2 PRO 102 2HD PRO 102 6.631 18.201 -7.379 73 HD3 PRO 102 3HD PRO 102 7.965 17.982 -8.529 74 H ALA 103 H ALA 103 4.479 21.007 -10.471 75 HA ALA 103 HA ALA 103 1.799 19.845 -10.074 76 HB1 ALA 103 1HB ALA 103 1.253 22.194 -9.195 77 HB2 ALA 103 2HB ALA 103 2.204 21.123 -8.164 78 HB3 ALA 103 3HB ALA 103 3.000 22.406 -9.077 79 H ALA 104 H ALA 104 3.606 22.449 -11.669 80 HA ALA 104 HA ALA 104 1.342 23.028 -13.407 81 HB1 ALA 104 1HB ALA 104 2.688 24.866 -12.440 82 HB2 ALA 104 2HB ALA 104 4.074 24.301 -13.374 83 HB3 ALA 104 3HB ALA 104 2.636 24.895 -14.203 84 H ALA 105 H ALA 105 3.575 20.695 -13.379 85 HA ALA 105 HA ALA 105 4.124 19.156 -14.994 86 HB1 ALA 105 1HB ALA 105 3.116 19.169 -17.039 87 HB2 ALA 105 2HB ALA 105 2.046 20.279 -16.181 88 HB3 ALA 105 3HB ALA 105 3.302 20.911 -17.246 89 H ALA 106 H ALA 106 6.118 20.469 -13.986 90 HA ALA 106 HA ALA 106 7.821 21.110 -16.289 91 HB1 ALA 106 1HB ALA 106 8.217 22.678 -13.791 92 HB2 ALA 106 2HB ALA 106 8.583 23.105 -15.463 93 HB3 ALA 106 3HB ALA 106 6.916 23.146 -14.886 94 H CYS 107 H CYS 107 8.196 18.735 -15.654 95 HA CYS 107 HA CYS 107 10.748 18.446 -14.614 96 HB2 CYS 107 2HB CYS 107 8.782 18.692 -12.557 97 HB3 CYS 107 3HB CYS 107 9.387 17.039 -12.549 98 H CYS 108 H CYS 108 10.206 17.335 -16.742 99 HA CYS 108 HA CYS 108 8.973 14.712 -16.411 100 HB2 CYS 108 2HB CYS 108 9.273 14.536 -18.874 101 HB3 CYS 108 3HB CYS 108 8.333 15.944 -18.393 102 H ASP 109 H ASP 109 11.329 15.029 -14.966 103 HA ASP 109 HA ASP 109 13.280 13.447 -16.503 104 HB2 ASP 109 2HB ASP 109 13.801 15.766 -15.293 105 HB3 ASP 109 3HB ASP 109 14.028 14.701 -13.907 106 HA PRO 110 HA PRO 110 11.468 10.445 -13.524 107 HB2 PRO 110 2HB PRO 110 11.653 8.331 -15.218 108 HB3 PRO 110 3HB PRO 110 10.287 9.453 -15.228 109 HG2 PRO 110 2HG PRO 110 12.686 9.373 -17.017 110 HG3 PRO 110 3HG PRO 110 10.985 9.644 -17.439 111 HD2 PRO 110 2HD PRO 110 12.771 11.667 -17.213 112 HD3 PRO 110 3HD PRO 110 11.053 11.860 -16.809 113 H CYS 111 H CYS 111 14.454 10.916 -15.031 114 HA CYS 111 HA CYS 111 15.686 8.650 -13.623 115 HB2 CYS 111 2HB CYS 111 16.137 9.835 -16.183 116 HB3 CYS 111 3HB CYS 111 17.591 10.043 -15.213 117 H ALA 112 H ALA 112 14.980 11.792 -13.084 118 HA ALA 112 HA ALA 112 17.458 12.298 -11.575 119 HB1 ALA 112 1HB ALA 112 17.034 14.624 -11.738 120 HB2 ALA 112 2HB ALA 112 16.782 13.952 -13.349 121 HB3 ALA 112 3HB ALA 112 15.397 14.354 -12.335 122 H SER 113 H SER 113 16.632 14.171 -9.799 123 HA SER 113 HA SER 113 14.306 13.191 -8.368 124 HB2 SER 113 2HB SER 113 16.445 11.831 -7.730 125 HB3 SER 113 3HB SER 113 16.880 13.281 -6.826 126 HG SER 113 HG SER 113 15.120 11.353 -6.186 127 H CYS 114 H CYS 114 13.600 14.601 -6.700 128 HA CYS 114 HA CYS 114 14.081 17.344 -7.232 129 HB2 CYS 114 2HB CYS 114 11.959 16.214 -6.282 130 HB3 CYS 114 3HB CYS 114 12.770 16.325 -4.724 131 H TYR 115 H TYR 115 16.006 18.218 -6.775 132 HA TYR 115 HA TYR 115 17.195 17.664 -4.138 133 HB2 TYR 115 2HB TYR 115 18.772 16.994 -5.741 134 HB3 TYR 115 3HB TYR 115 18.418 18.358 -6.796 135 HD1 TYR 115 HD2 TYR 115 20.019 17.411 -3.590 136 HD2 TYR 115 HD1 TYR 115 19.629 20.376 -6.618 137 HE1 TYR 115 HE2 TYR 115 21.909 18.646 -2.616 138 HE2 TYR 115 HE1 TYR 115 21.520 21.619 -5.652 139 HH TYR 115 HH TYR 115 22.790 20.935 -2.579 140 H CYS 116 H CYS 116 17.920 19.360 -2.862 141 HA CYS 116 HA CYS 116 17.074 22.052 -3.716 142 HB2 CYS 116 2HB CYS 116 16.958 20.932 -0.908 143 HB3 CYS 116 3HB CYS 116 16.439 22.537 -1.412 144 H ARG 117 H ARG 117 18.255 23.828 -2.750 145 HA ARG 117 HA ARG 117 21.009 23.069 -2.030 146 HB2 ARG 117 2HB ARG 117 21.372 25.562 -2.896 147 HB3 ARG 117 3HB ARG 117 21.389 24.182 -3.985 148 HG2 ARG 117 2HG ARG 117 20.069 25.919 -4.960 149 HG3 ARG 117 3HG ARG 117 18.998 24.602 -4.479 150 HD2 ARG 117 2HD ARG 117 18.069 25.806 -2.754 151 HD3 ARG 117 3HD ARG 117 19.488 26.835 -2.568 152 HE ARG 117 HE ARG 117 17.248 27.265 -4.322 153 HH11 ARG 117 1HH1 ARG 117 20.598 27.986 -3.707 154 HH12 ARG 117 2HH1 ARG 117 20.579 29.467 -4.604 155 HH21 ARG 117 1HH2 ARG 117 17.211 29.214 -5.507 156 HH22 ARG 117 2HH2 ARG 117 18.650 30.166 -5.626 157 H PHE 118 H PHE 118 22.011 25.416 -1.155 158 HA PHE 118 HA PHE 118 21.448 25.579 1.478 159 HB2 PHE 118 2HB PHE 118 22.448 27.607 -0.473 160 HB3 PHE 118 3HB PHE 118 22.075 28.134 1.166 161 HD1 PHE 118 HD2 PHE 118 23.593 24.980 -0.106 162 HD2 PHE 118 HD1 PHE 118 24.082 28.500 2.237 163 HE1 PHE 118 HE2 PHE 118 25.789 24.169 0.649 164 HE2 PHE 118 HE1 PHE 118 26.279 27.694 2.995 165 HZ PHE 118 HZ PHE 118 27.136 25.526 2.202 166 H PHE 119 H PHE 119 19.982 27.735 -0.956 167 HA PHE 119 HA PHE 119 18.279 29.164 0.644 168 HB2 PHE 119 2HB PHE 119 18.677 29.025 -2.027 169 HB3 PHE 119 3HB PHE 119 17.099 28.253 -1.912 170 HD1 PHE 119 HD1 PHE 119 18.779 31.200 -0.346 171 HD2 PHE 119 HD2 PHE 119 15.345 29.656 -2.330 172 HE1 PHE 119 HE1 PHE 119 17.712 33.414 -0.215 173 HE2 PHE 119 HE2 PHE 119 14.273 31.866 -2.203 174 HZ PHE 119 HZ PHE 119 15.458 33.749 -1.146 175 H ARG 120 H ARG 120 17.639 26.008 -0.855 176 HA ARG 120 HA ARG 120 16.168 24.351 -0.344 177 HB2 ARG 120 2HB ARG 120 17.153 24.875 1.986 178 HB3 ARG 120 3HB ARG 120 15.628 25.698 2.289 179 HG2 ARG 120 2HG ARG 120 15.169 23.629 3.138 180 HG3 ARG 120 3HG ARG 120 14.597 23.430 1.480 181 HD2 ARG 120 2HD ARG 120 15.914 21.509 2.128 182 HD3 ARG 120 3HD ARG 120 16.764 22.422 0.883 183 HE ARG 120 HE ARG 120 17.734 23.386 3.254 184 HH11 ARG 120 1HH1 ARG 120 17.530 20.260 1.736 185 HH12 ARG 120 2HH1 ARG 120 18.967 19.655 2.492 186 HH21 ARG 120 1HH2 ARG 120 19.627 22.602 4.255 187 HH22 ARG 120 2HH2 ARG 120 20.158 20.987 3.925 188 H SER 121 H SER 121 15.336 27.183 -1.267 189 HA SER 121 HA SER 121 12.450 26.822 -0.786 190 HB2 SER 121 2HB SER 121 12.445 28.922 0.004 191 HB3 SER 121 3HB SER 121 14.129 29.156 -0.460 192 HG SER 121 HG SER 121 11.795 29.629 -1.976 193 H ALA 122 H ALA 122 14.934 26.826 -3.059 194 HA ALA 122 HA ALA 122 12.972 26.912 -5.249 195 HB1 ALA 122 1HB ALA 122 13.978 28.874 -5.773 196 HB2 ALA 122 2HB ALA 122 15.484 28.449 -4.959 197 HB3 ALA 122 3HB ALA 122 15.127 27.789 -6.555 198 H CYS 123 H CYS 123 13.221 24.529 -4.524 199 HA CYS 123 HA CYS 123 15.582 23.130 -5.268 200 HB2 CYS 123 2HB CYS 123 12.798 21.984 -5.013 201 HB3 CYS 123 3HB CYS 123 14.325 21.123 -4.856 202 H TYR 124 H TYR 124 15.762 21.553 -6.995 203 HA TYR 124 HA TYR 124 14.000 21.953 -9.287 204 HB2 TYR 124 2HB TYR 124 16.332 21.989 -10.618 205 HB3 TYR 124 3HB TYR 124 15.509 23.456 -10.098 206 HD1 TYR 124 HD1 TYR 124 18.263 21.126 -9.309 207 HD2 TYR 124 HD2 TYR 124 16.461 24.882 -8.445 208 HE1 TYR 124 HE1 TYR 124 20.254 21.778 -8.020 209 HE2 TYR 124 HE2 TYR 124 18.447 25.546 -7.156 210 HH TYR 124 HH TYR 124 21.058 24.757 -7.261 211 H CYS 125 H CYS 125 14.424 20.365 -11.027 212 HA CYS 125 HA CYS 125 14.724 17.751 -9.919 213 HB2 CYS 125 2HB CYS 125 14.027 18.902 -12.561 214 HB3 CYS 125 3HB CYS 125 14.697 17.275 -12.571 215 H ARG 126 H ARG 126 16.792 17.443 -9.172 216 HA ARG 126 HA ARG 126 18.950 17.595 -11.171 217 HB2 ARG 126 2HB ARG 126 19.057 18.970 -8.983 218 HB3 ARG 126 3HB ARG 126 19.396 17.431 -8.202 219 HG2 ARG 126 2HG ARG 126 21.529 18.014 -8.596 220 HG3 ARG 126 3HG ARG 126 21.197 17.347 -10.196 221 HD2 ARG 126 2HD ARG 126 21.266 19.365 -11.188 222 HD3 ARG 126 3HD ARG 126 20.430 20.158 -9.854 223 HE ARG 126 HE ARG 126 22.460 20.751 -8.987 224 HH11 ARG 126 1HH1 ARG 126 22.925 18.218 -11.330 225 HH12 ARG 126 2HH1 ARG 126 24.654 18.323 -11.294 226 HH21 ARG 126 1HH2 ARG 126 24.736 20.899 -8.930 227 HH22 ARG 126 2HH2 ARG 126 25.683 19.847 -9.927 228 H VAL 127 H VAL 127 20.017 15.789 -11.727 229 HA VAL 127 HA VAL 127 19.015 13.251 -10.844 230 HB VAL 127 HB VAL 127 20.850 12.339 -12.334 231 HG11 VAL 127 1HG1 VAL 127 19.724 13.151 -14.432 232 HG12 VAL 127 2HG1 VAL 127 18.642 12.497 -13.201 233 HG13 VAL 127 3HG1 VAL 127 18.783 14.242 -13.415 234 HG21 VAL 127 3HG2 VAL 127 21.851 14.921 -12.098 235 HG22 VAL 127 1HG2 VAL 127 22.424 13.660 -13.189 236 HG23 VAL 127 2HG2 VAL 127 21.232 14.833 -13.746 237 H LEU 128 H LEU 128 19.515 12.895 -8.716 238 HA LEU 128 HA LEU 128 22.289 13.144 -7.845 239 HB2 LEU 128 2HB LEU 128 19.669 12.757 -6.468 240 HB3 LEU 128 3HB LEU 128 21.159 12.313 -5.639 241 HG LEU 128 HG LEU 128 20.339 14.555 -5.024 242 HD11 LEU 128 1HD1 LEU 128 22.432 15.383 -4.809 243 HD12 LEU 128 2HD1 LEU 128 22.827 15.135 -6.509 244 HD13 LEU 128 3HD1 LEU 128 22.872 13.775 -5.387 245 HD21 LEU 128 3HD2 LEU 128 19.308 15.195 -7.123 246 HD22 LEU 128 1HD2 LEU 128 20.881 15.197 -7.921 247 HD23 LEU 128 2HD2 LEU 128 20.531 16.380 -6.661 248 H SER 129 H SER 129 21.312 11.051 -9.744 249 HA SER 129 HA SER 129 21.812 8.626 -8.171 250 HB2 SER 129 2HB SER 129 20.910 8.795 -11.052 251 HB3 SER 129 3HB SER 129 20.872 7.382 -9.999 252 HG SER 129 HG SER 129 18.867 8.091 -9.783 253 H LEU 130 H LEU 130 22.916 10.345 -11.066 254 HA LEU 130 HA LEU 130 24.892 10.328 -12.188 255 HB2 LEU 130 2HB LEU 130 26.048 8.906 -9.804 256 HB3 LEU 130 3HB LEU 130 26.900 9.893 -10.989 257 HG LEU 130 HG LEU 130 24.820 11.064 -9.165 258 HD11 LEU 130 1HD1 LEU 130 26.725 9.838 -7.951 259 HD12 LEU 130 2HD1 LEU 130 26.392 11.513 -7.511 260 HD13 LEU 130 3HD1 LEU 130 27.754 11.132 -8.565 261 HD21 LEU 130 3HD2 LEU 130 25.515 12.358 -11.134 262 HD22 LEU 130 1HD2 LEU 130 27.192 12.255 -10.598 263 HD23 LEU 130 2HD2 LEU 130 26.008 13.130 -9.627 264 H ASN 131 H ASN 131 23.019 8.026 -12.277 265 HA ASN 131 HA ASN 131 24.920 5.996 -13.254 266 HB2 ASN 131 2HB ASN 131 22.381 5.705 -11.698 267 HB3 ASN 131 3HB ASN 131 22.836 4.437 -12.832 268 HD21 ASN 131 1HD2 ASN 131 22.957 5.266 -9.713 269 HD22 ASN 131 2HD2 ASN 131 24.386 4.431 -9.220 270 H CYS 132 H CYS 132 21.881 7.680 -13.761 271 HA CYS 132 HA CYS 132 21.016 6.344 -16.065 272 HB2 CYS 132 2HB CYS 132 19.794 8.098 -14.609 273 HB3 CYS 132 3HB CYS 132 20.588 9.290 -15.633 Start of MODEL 13 1 H CYS 93 H CYS 93 10.006 18.328 -20.653 2 HA CYS 93 HA CYS 93 8.691 20.349 -18.976 3 HB2 CYS 93 2HB CYS 93 9.615 17.813 -17.696 4 HB3 CYS 93 3HB CYS 93 8.350 18.928 -17.189 5 H VAL 94 H VAL 94 10.189 20.010 -16.687 6 HA VAL 94 HA VAL 94 12.504 21.462 -17.238 7 HB VAL 94 HB VAL 94 11.511 19.979 -14.851 8 HG11 VAL 94 1HG1 VAL 94 14.326 20.975 -15.214 9 HG12 VAL 94 2HG1 VAL 94 13.585 20.748 -13.627 10 HG13 VAL 94 3HG1 VAL 94 13.792 19.372 -14.711 11 HG21 VAL 94 3HG2 VAL 94 12.343 22.827 -15.389 12 HG22 VAL 94 1HG2 VAL 94 10.697 22.212 -15.230 13 HG23 VAL 94 2HG2 VAL 94 11.771 22.228 -13.832 14 H ALA 95 H ALA 95 14.495 20.926 -17.871 15 HA ALA 95 HA ALA 95 15.097 18.222 -18.590 16 HB1 ALA 95 1HB ALA 95 15.905 19.985 -19.994 17 HB2 ALA 95 2HB ALA 95 16.767 20.731 -18.647 18 HB3 ALA 95 3HB ALA 95 17.295 19.170 -19.278 19 H THR 96 H THR 96 16.937 20.484 -16.532 20 HA THR 96 HA THR 96 17.180 18.578 -14.407 21 HB THR 96 HB THR 96 19.771 19.267 -15.781 22 HG1 THR 96 HG1 THR 96 19.104 17.902 -17.271 23 HG21 THR 96 3HG2 THR 96 19.042 17.071 -13.841 24 HG22 THR 96 1HG2 THR 96 19.821 18.589 -13.398 25 HG23 THR 96 2HG2 THR 96 20.654 17.445 -14.451 26 H ARG 97 H ARG 97 17.988 19.483 -12.517 27 HA ARG 97 HA ARG 97 18.079 21.259 -11.055 28 HB2 ARG 97 2HB ARG 97 20.172 22.434 -11.185 29 HB3 ARG 97 3HB ARG 97 20.438 20.774 -11.702 30 HG2 ARG 97 2HG ARG 97 19.825 22.740 -13.819 31 HG3 ARG 97 3HG ARG 97 21.392 22.883 -13.022 32 HD2 ARG 97 2HD ARG 97 21.075 20.158 -13.516 33 HD3 ARG 97 3HD ARG 97 20.483 20.958 -14.973 34 HE ARG 97 HE ARG 97 22.869 22.185 -14.377 35 HH11 ARG 97 1HH1 ARG 97 21.812 18.942 -15.072 36 HH12 ARG 97 2HH1 ARG 97 23.317 18.466 -15.788 37 HH21 ARG 97 1HH2 ARG 97 24.854 21.570 -15.318 38 HH22 ARG 97 2HH2 ARG 97 25.046 19.961 -15.927 39 H ASN 98 H ASN 98 16.112 21.738 -12.977 40 HA ASN 98 HA ASN 98 16.454 24.584 -13.634 41 HB2 ASN 98 2HB ASN 98 15.772 22.748 -15.378 42 HB3 ASN 98 3HB ASN 98 14.176 22.921 -14.654 43 HD21 ASN 98 1HD2 ASN 98 14.471 23.493 -17.262 44 HD22 ASN 98 2HD2 ASN 98 14.364 25.196 -17.529 45 H SER 99 H SER 99 13.694 22.482 -12.798 46 HA SER 99 HA SER 99 12.995 24.257 -10.598 47 HB2 SER 99 2HB SER 99 10.915 23.623 -12.690 48 HB3 SER 99 3HB SER 99 10.815 24.790 -11.371 49 HG SER 99 HG SER 99 11.406 25.422 -13.728 50 H CYS 100 H CYS 100 11.873 23.257 -8.979 51 HA CYS 100 HA CYS 100 11.589 20.360 -9.232 52 HB2 CYS 100 2HB CYS 100 12.862 21.029 -7.323 53 HB3 CYS 100 3HB CYS 100 11.647 22.211 -6.848 54 H LYS 101 H LYS 101 9.730 22.811 -7.436 55 HA LYS 101 HA LYS 101 7.371 21.538 -7.133 56 HB2 LYS 101 2HB LYS 101 8.063 24.398 -7.591 57 HB3 LYS 101 3HB LYS 101 6.362 23.952 -7.653 58 HG2 LYS 101 2HG LYS 101 6.562 24.487 -5.448 59 HG3 LYS 101 3HG LYS 101 6.927 22.760 -5.380 60 HD2 LYS 101 2HD LYS 101 9.288 24.362 -5.917 61 HD3 LYS 101 3HD LYS 101 8.503 24.820 -4.403 62 HE2 LYS 101 2HE LYS 101 8.428 22.111 -4.238 63 HE3 LYS 101 3HE LYS 101 9.929 22.354 -5.130 64 HZ1 LYS 101 3HZ LYS 101 9.228 23.505 -2.486 65 HZ2 LYS 101 1HZ LYS 101 10.613 23.919 -3.363 66 HZ3 LYS 101 2HZ LYS 101 10.408 22.335 -2.805 67 HA PRO 102 HA PRO 102 6.414 20.686 -11.468 68 HB2 PRO 102 2HB PRO 102 4.564 18.781 -10.905 69 HB3 PRO 102 3HB PRO 102 6.302 18.462 -10.901 70 HG2 PRO 102 2HG PRO 102 4.473 19.005 -8.595 71 HG3 PRO 102 3HG PRO 102 5.765 17.800 -8.739 72 HD2 PRO 102 2HD PRO 102 6.095 20.141 -7.418 73 HD3 PRO 102 3HD PRO 102 7.421 19.337 -8.283 74 H ALA 103 H ALA 103 5.473 22.926 -11.357 75 HA ALA 103 HA ALA 103 2.960 23.587 -10.449 76 HB1 ALA 103 1HB ALA 103 4.868 24.889 -11.851 77 HB2 ALA 103 2HB ALA 103 3.625 24.696 -13.089 78 HB3 ALA 103 3HB ALA 103 3.242 25.513 -11.575 79 H ALA 104 H ALA 104 3.840 21.651 -13.205 80 HA ALA 104 HA ALA 104 1.297 20.505 -13.473 81 HB1 ALA 104 1HB ALA 104 0.268 22.247 -14.484 82 HB2 ALA 104 2HB ALA 104 1.778 22.936 -15.083 83 HB3 ALA 104 3HB ALA 104 1.042 21.567 -15.916 84 H ALA 105 H ALA 105 4.292 21.412 -15.097 85 HA ALA 105 HA ALA 105 4.910 18.704 -15.717 86 HB1 ALA 105 1HB ALA 105 4.961 19.005 -18.204 87 HB2 ALA 105 2HB ALA 105 3.346 18.930 -17.498 88 HB3 ALA 105 3HB ALA 105 4.025 20.485 -17.978 89 H ALA 106 H ALA 106 6.453 20.199 -14.283 90 HA ALA 106 HA ALA 106 8.650 20.970 -16.077 91 HB1 ALA 106 1HB ALA 106 8.099 23.092 -15.481 92 HB2 ALA 106 2HB ALA 106 7.369 22.594 -13.953 93 HB3 ALA 106 3HB ALA 106 9.124 22.688 -14.104 94 H CYS 107 H CYS 107 8.654 18.498 -15.128 95 HA CYS 107 HA CYS 107 11.034 18.280 -13.689 96 HB2 CYS 107 2HB CYS 107 9.066 18.991 -11.954 97 HB3 CYS 107 3HB CYS 107 8.957 17.235 -11.870 98 H CYS 108 H CYS 108 10.048 17.123 -15.972 99 HA CYS 108 HA CYS 108 9.064 14.472 -15.423 100 HB2 CYS 108 2HB CYS 108 10.002 15.846 -17.942 101 HB3 CYS 108 3HB CYS 108 9.489 14.162 -17.911 102 H ASP 109 H ASP 109 10.422 12.807 -17.047 103 HA ASP 109 HA ASP 109 12.293 11.523 -17.279 104 HB2 ASP 109 2HB ASP 109 13.311 13.973 -17.531 105 HB3 ASP 109 3HB ASP 109 14.073 13.544 -16.002 106 HA PRO 110 HA PRO 110 12.021 9.948 -13.086 107 HB2 PRO 110 2HB PRO 110 12.708 7.407 -13.746 108 HB3 PRO 110 3HB PRO 110 11.084 8.059 -13.996 109 HG2 PRO 110 2HG PRO 110 13.319 7.739 -15.962 110 HG3 PRO 110 3HG PRO 110 11.592 7.395 -16.166 111 HD2 PRO 110 2HD PRO 110 12.748 9.655 -17.108 112 HD3 PRO 110 3HD PRO 110 11.066 9.607 -16.542 113 H CYS 111 H CYS 111 14.677 10.380 -15.123 114 HA CYS 111 HA CYS 111 16.633 9.077 -13.447 115 HB2 CYS 111 2HB CYS 111 16.580 10.342 -16.066 116 HB3 CYS 111 3HB CYS 111 17.992 10.827 -15.132 117 H ALA 112 H ALA 112 14.971 12.003 -13.373 118 HA ALA 112 HA ALA 112 17.029 13.200 -11.632 119 HB1 ALA 112 1HB ALA 112 16.740 15.227 -12.562 120 HB2 ALA 112 2HB ALA 112 16.118 14.301 -13.929 121 HB3 ALA 112 3HB ALA 112 15.002 15.005 -12.759 122 H SER 113 H SER 113 16.407 14.017 -9.664 123 HA SER 113 HA SER 113 13.592 13.599 -8.900 124 HB2 SER 113 2HB SER 113 15.564 12.032 -7.976 125 HB3 SER 113 3HB SER 113 15.692 13.348 -6.809 126 HG SER 113 HG SER 113 13.391 11.793 -7.395 127 H CYS 114 H CYS 114 12.780 14.976 -7.227 128 HA CYS 114 HA CYS 114 13.566 17.674 -7.509 129 HB2 CYS 114 2HB CYS 114 11.476 16.185 -6.133 130 HB3 CYS 114 3HB CYS 114 12.043 17.555 -5.184 131 H TYR 115 H TYR 115 15.631 18.106 -6.883 132 HA TYR 115 HA TYR 115 16.389 17.436 -4.122 133 HB2 TYR 115 2HB TYR 115 18.038 16.570 -5.551 134 HB3 TYR 115 3HB TYR 115 17.994 17.978 -6.606 135 HD1 TYR 115 HD1 TYR 115 19.265 16.632 -3.437 136 HD2 TYR 115 HD2 TYR 115 19.241 19.977 -6.067 137 HE1 TYR 115 HE1 TYR 115 21.178 17.590 -2.226 138 HE2 TYR 115 HE2 TYR 115 21.156 20.944 -4.863 139 HH TYR 115 HH TYR 115 22.858 20.425 -3.390 140 H CYS 116 H CYS 116 17.024 18.998 -2.692 141 HA CYS 116 HA CYS 116 16.632 21.785 -3.568 142 HB2 CYS 116 2HB CYS 116 16.245 20.633 -0.797 143 HB3 CYS 116 3HB CYS 116 15.936 22.297 -1.284 144 H ARG 117 H ARG 117 17.925 23.415 -2.469 145 HA ARG 117 HA ARG 117 20.549 22.360 -1.638 146 HB2 ARG 117 2HB ARG 117 21.221 24.810 -2.422 147 HB3 ARG 117 3HB ARG 117 21.134 23.465 -3.550 148 HG2 ARG 117 2HG ARG 117 20.064 25.369 -4.526 149 HG3 ARG 117 3HG ARG 117 18.832 24.166 -4.135 150 HD2 ARG 117 2HD ARG 117 17.939 25.428 -2.447 151 HD3 ARG 117 3HD ARG 117 19.463 26.247 -2.109 152 HE ARG 117 HE ARG 117 17.418 27.099 -3.913 153 HH11 ARG 117 1HH1 ARG 117 20.844 27.169 -3.302 154 HH12 ARG 117 2HH1 ARG 117 21.103 28.640 -4.180 155 HH21 ARG 117 1HH2 ARG 117 17.744 29.036 -5.071 156 HH22 ARG 117 2HH2 ARG 117 19.338 29.702 -5.184 157 H PHE 118 H PHE 118 21.742 24.556 -0.642 158 HA PHE 118 HA PHE 118 21.012 24.727 1.960 159 HB2 PHE 118 2HB PHE 118 22.263 26.856 0.223 160 HB3 PHE 118 3HB PHE 118 22.119 27.009 1.971 161 HD1 PHE 118 HD2 PHE 118 23.176 25.156 3.397 162 HD2 PHE 118 HD1 PHE 118 24.086 25.778 -0.715 163 HE1 PHE 118 HE2 PHE 118 25.280 23.912 3.678 164 HE2 PHE 118 HE1 PHE 118 26.190 24.533 -0.440 165 HZ PHE 118 HZ PHE 118 26.791 23.599 1.759 166 H PHE 119 H PHE 119 20.053 27.116 -0.508 167 HA PHE 119 HA PHE 119 18.438 28.732 1.004 168 HB2 PHE 119 2HB PHE 119 19.035 28.636 -1.616 169 HB3 PHE 119 3HB PHE 119 17.384 28.028 -1.680 170 HD1 PHE 119 HD1 PHE 119 19.210 30.746 0.120 171 HD2 PHE 119 HD2 PHE 119 15.806 29.606 -2.169 172 HE1 PHE 119 HE1 PHE 119 18.363 33.052 0.239 173 HE2 PHE 119 HE2 PHE 119 14.953 31.911 -2.054 174 HZ PHE 119 HZ PHE 119 16.232 33.637 -0.849 175 H ARG 120 H ARG 120 17.560 25.672 -0.549 176 HA ARG 120 HA ARG 120 15.825 24.237 -0.225 177 HB2 ARG 120 2HB ARG 120 16.265 25.494 2.389 178 HB3 ARG 120 3HB ARG 120 14.644 24.850 2.176 179 HG2 ARG 120 2HG ARG 120 16.984 23.151 1.461 180 HG3 ARG 120 3HG ARG 120 16.551 23.365 3.158 181 HD2 ARG 120 2HD ARG 120 14.144 22.785 2.285 182 HD3 ARG 120 3HD ARG 120 15.035 22.041 0.959 183 HE ARG 120 HE ARG 120 14.739 21.016 3.585 184 HH11 ARG 120 1HH1 ARG 120 17.014 21.266 0.964 185 HH12 ARG 120 2HH1 ARG 120 17.871 19.824 1.397 186 HH21 ARG 120 1HH2 ARG 120 15.857 19.115 4.167 187 HH22 ARG 120 2HH2 ARG 120 17.211 18.600 3.219 188 H SER 121 H SER 121 15.434 27.063 -1.277 189 HA SER 121 HA SER 121 12.510 27.177 -0.922 190 HB2 SER 121 2HB SER 121 14.356 29.182 -0.370 191 HB3 SER 121 3HB SER 121 13.703 29.630 -1.945 192 HG SER 121 HG SER 121 12.105 28.956 0.299 193 H ALA 122 H ALA 122 15.186 27.150 -3.138 194 HA ALA 122 HA ALA 122 13.280 27.108 -5.389 195 HB1 ALA 122 1HB ALA 122 15.578 27.776 -6.617 196 HB2 ALA 122 2HB ALA 122 14.418 28.957 -6.006 197 HB3 ALA 122 3HB ALA 122 15.836 28.537 -5.046 198 H CYS 123 H CYS 123 13.249 24.762 -4.739 199 HA CYS 123 HA CYS 123 15.583 23.182 -5.283 200 HB2 CYS 123 2HB CYS 123 12.739 22.189 -5.076 201 HB3 CYS 123 3HB CYS 123 14.222 21.286 -4.783 202 H TYR 124 H TYR 124 15.768 21.597 -6.963 203 HA TYR 124 HA TYR 124 14.041 21.937 -9.290 204 HB2 TYR 124 2HB TYR 124 16.301 21.958 -10.655 205 HB3 TYR 124 3HB TYR 124 15.607 23.452 -10.035 206 HD1 TYR 124 HD1 TYR 124 17.809 20.735 -8.692 207 HD2 TYR 124 HD2 TYR 124 17.155 24.912 -9.166 208 HE1 TYR 124 HE1 TYR 124 19.899 21.194 -7.479 209 HE2 TYR 124 HE2 TYR 124 19.244 25.383 -7.956 210 HH TYR 124 HH TYR 124 21.149 22.786 -6.500 211 H CYS 125 H CYS 125 14.374 20.265 -10.924 212 HA CYS 125 HA CYS 125 14.680 17.699 -9.736 213 HB2 CYS 125 2HB CYS 125 13.890 18.782 -12.352 214 HB3 CYS 125 3HB CYS 125 14.704 17.221 -12.437 215 H ARG 126 H ARG 126 16.758 17.448 -8.963 216 HA ARG 126 HA ARG 126 18.960 17.644 -10.888 217 HB2 ARG 126 2HB ARG 126 19.076 18.755 -8.603 218 HB3 ARG 126 3HB ARG 126 19.184 17.138 -7.924 219 HG2 ARG 126 2HG ARG 126 21.310 16.821 -8.652 220 HG3 ARG 126 3HG ARG 126 21.090 17.835 -10.080 221 HD2 ARG 126 2HD ARG 126 20.963 19.174 -7.442 222 HD3 ARG 126 3HD ARG 126 22.542 18.591 -7.967 223 HE ARG 126 HE ARG 126 21.128 20.137 -9.945 224 HH11 ARG 126 1HH1 ARG 126 23.329 20.222 -7.249 225 HH12 ARG 126 2HH1 ARG 126 24.037 21.735 -7.706 226 HH21 ARG 126 1HH2 ARG 126 22.053 22.131 -10.558 227 HH22 ARG 126 2HH2 ARG 126 23.309 22.821 -9.588 228 H VAL 127 H VAL 127 20.036 15.901 -11.616 229 HA VAL 127 HA VAL 127 18.935 13.295 -11.112 230 HB VAL 127 HB VAL 127 20.781 12.534 -12.666 231 HG11 VAL 127 1HG1 VAL 127 18.354 13.514 -13.207 232 HG12 VAL 127 2HG1 VAL 127 19.334 14.683 -14.094 233 HG13 VAL 127 3HG1 VAL 127 19.465 12.963 -14.461 234 HG21 VAL 127 3HG2 VAL 127 22.354 13.931 -13.458 235 HG22 VAL 127 1HG2 VAL 127 21.229 15.283 -13.589 236 HG23 VAL 127 2HG2 VAL 127 21.964 14.897 -12.033 237 H LEU 128 H LEU 128 19.452 13.325 -8.779 238 HA LEU 128 HA LEU 128 22.066 13.317 -7.773 239 HB2 LEU 128 2HB LEU 128 19.672 11.839 -6.692 240 HB3 LEU 128 3HB LEU 128 21.132 12.257 -5.797 241 HG LEU 128 HG LEU 128 19.816 13.934 -5.049 242 HD11 LEU 128 1HD1 LEU 128 20.316 15.959 -6.101 243 HD12 LEU 128 2HD1 LEU 128 20.336 15.226 -7.705 244 HD13 LEU 128 3HD1 LEU 128 21.639 14.889 -6.565 245 HD21 LEU 128 3HD2 LEU 128 17.701 13.774 -5.740 246 HD22 LEU 128 1HD2 LEU 128 18.179 13.178 -7.331 247 HD23 LEU 128 2HD2 LEU 128 18.148 14.913 -7.012 248 H SER 129 H SER 129 20.399 10.995 -9.630 249 HA SER 129 HA SER 129 21.706 8.647 -8.708 250 HB2 SER 129 2HB SER 129 20.072 9.383 -11.097 251 HB3 SER 129 3HB SER 129 21.032 7.905 -11.168 252 HG SER 129 HG SER 129 19.102 7.308 -10.318 253 H LEU 130 H LEU 130 22.534 11.147 -10.990 254 HA LEU 130 HA LEU 130 24.358 11.516 -12.303 255 HB2 LEU 130 2HB LEU 130 25.787 9.818 -10.269 256 HB3 LEU 130 3HB LEU 130 26.488 11.059 -11.306 257 HG LEU 130 HG LEU 130 24.428 11.706 -9.214 258 HD11 LEU 130 1HD1 LEU 130 26.085 10.759 -7.885 259 HD12 LEU 130 2HD1 LEU 130 26.501 12.473 -7.902 260 HD13 LEU 130 3HD1 LEU 130 27.387 11.341 -8.923 261 HD21 LEU 130 3HD2 LEU 130 25.552 13.184 -11.260 262 HD22 LEU 130 1HD2 LEU 130 26.488 13.652 -9.841 263 HD23 LEU 130 2HD2 LEU 130 24.733 13.824 -9.835 264 H ASN 131 H ASN 131 22.875 9.602 -13.420 265 HA ASN 131 HA ASN 131 24.883 7.716 -14.450 266 HB2 ASN 131 2HB ASN 131 23.016 6.777 -12.845 267 HB3 ASN 131 3HB ASN 131 22.011 6.887 -14.287 268 HD21 ASN 131 1HD2 ASN 131 22.014 5.213 -15.602 269 HD22 ASN 131 2HD2 ASN 131 23.207 3.963 -15.649 270 H CYS 132 H CYS 132 21.851 9.437 -15.014 271 HA CYS 132 HA CYS 132 21.710 8.811 -17.792 272 HB2 CYS 132 2HB CYS 132 20.185 10.402 -15.867 273 HB3 CYS 132 3HB CYS 132 20.242 11.127 -17.469 Start of MODEL 14 1 H CYS 93 H CYS 93 9.750 21.175 -20.904 2 HA CYS 93 HA CYS 93 8.550 21.511 -18.401 3 HB2 CYS 93 2HB CYS 93 9.126 19.181 -17.489 4 HB3 CYS 93 3HB CYS 93 7.660 19.334 -18.452 5 H VAL 94 H VAL 94 10.158 20.919 -16.579 6 HA VAL 94 HA VAL 94 12.575 22.233 -17.068 7 HB VAL 94 HB VAL 94 11.593 20.518 -14.817 8 HG11 VAL 94 1HG1 VAL 94 13.873 19.901 -14.839 9 HG12 VAL 94 2HG1 VAL 94 14.394 21.550 -15.195 10 HG13 VAL 94 3HG1 VAL 94 13.725 21.158 -13.611 11 HG21 VAL 94 3HG2 VAL 94 12.658 23.184 -14.286 12 HG22 VAL 94 1HG2 VAL 94 11.318 23.174 -15.433 13 HG23 VAL 94 2HG2 VAL 94 11.112 22.470 -13.829 14 H ALA 95 H ALA 95 14.470 21.597 -17.869 15 HA ALA 95 HA ALA 95 14.791 18.924 -18.858 16 HB1 ALA 95 1HB ALA 95 16.409 21.431 -18.967 17 HB2 ALA 95 2HB ALA 95 17.157 19.890 -19.393 18 HB3 ALA 95 3HB ALA 95 15.744 20.462 -20.283 19 H THR 96 H THR 96 16.986 20.850 -16.810 20 HA THR 96 HA THR 96 17.197 18.770 -14.843 21 HB THR 96 HB THR 96 19.724 19.363 -16.377 22 HG1 THR 96 HG1 THR 96 18.113 17.030 -16.643 23 HG21 THR 96 3HG2 THR 96 18.988 17.126 -14.486 24 HG22 THR 96 1HG2 THR 96 19.940 18.545 -14.057 25 HG23 THR 96 2HG2 THR 96 20.562 17.390 -15.234 26 H ARG 97 H ARG 97 18.148 19.471 -12.948 27 HA ARG 97 HA ARG 97 18.471 21.125 -11.378 28 HB2 ARG 97 2HB ARG 97 20.670 22.082 -11.519 29 HB3 ARG 97 3HB ARG 97 20.741 20.448 -12.165 30 HG2 ARG 97 2HG ARG 97 20.250 22.607 -14.115 31 HG3 ARG 97 3HG ARG 97 21.849 22.559 -13.371 32 HD2 ARG 97 2HD ARG 97 21.387 19.924 -13.998 33 HD3 ARG 97 3HD ARG 97 20.641 20.783 -15.347 34 HE ARG 97 HE ARG 97 23.069 21.971 -15.087 35 HH11 ARG 97 1HH1 ARG 97 22.009 18.676 -15.456 36 HH12 ARG 97 2HH1 ARG 97 23.440 18.172 -16.294 37 HH21 ARG 97 1HH2 ARG 97 24.957 21.321 -16.191 38 HH22 ARG 97 2HH2 ARG 97 25.115 19.678 -16.711 39 H ASN 98 H ASN 98 16.496 21.933 -13.178 40 HA ASN 98 HA ASN 98 17.104 24.771 -13.646 41 HB2 ASN 98 2HB ASN 98 16.180 23.122 -15.481 42 HB3 ASN 98 3HB ASN 98 14.634 23.457 -14.706 43 HD21 ASN 98 1HD2 ASN 98 14.883 24.147 -17.263 44 HD22 ASN 98 2HD2 ASN 98 15.023 25.860 -17.439 45 H SER 99 H SER 99 14.171 22.894 -12.878 46 HA SER 99 HA SER 99 13.732 24.356 -10.441 47 HB2 SER 99 2HB SER 99 11.449 24.691 -12.303 48 HB3 SER 99 3HB SER 99 12.052 25.776 -11.049 49 HG SER 99 HG SER 99 12.504 25.858 -13.677 50 H CYS 100 H CYS 100 12.171 23.415 -9.125 51 HA CYS 100 HA CYS 100 11.348 20.737 -9.966 52 HB2 CYS 100 2HB CYS 100 12.169 21.946 -7.465 53 HB3 CYS 100 3HB CYS 100 10.632 21.107 -7.284 54 H LYS 101 H LYS 101 9.735 22.730 -7.559 55 HA LYS 101 HA LYS 101 7.372 22.638 -7.276 56 HB2 LYS 101 2HB LYS 101 6.536 24.647 -8.514 57 HB3 LYS 101 3HB LYS 101 8.022 24.921 -7.614 58 HG2 LYS 101 2HG LYS 101 8.165 24.177 -10.499 59 HG3 LYS 101 3HG LYS 101 7.766 25.833 -10.036 60 HD2 LYS 101 2HD LYS 101 10.256 24.278 -9.353 61 HD3 LYS 101 3HD LYS 101 10.130 25.720 -10.362 62 HE2 LYS 101 2HE LYS 101 9.876 25.467 -7.386 63 HE3 LYS 101 3HE LYS 101 10.930 26.526 -8.323 64 HZ1 LYS 101 3HZ LYS 101 8.129 26.866 -7.591 65 HZ2 LYS 101 1HZ LYS 101 8.581 27.413 -9.127 66 HZ3 LYS 101 2HZ LYS 101 9.354 28.021 -7.752 67 HA PRO 102 HA PRO 102 6.387 20.079 -11.053 68 HB2 PRO 102 2HB PRO 102 5.490 17.924 -9.668 69 HB3 PRO 102 3HB PRO 102 7.190 18.151 -10.095 70 HG2 PRO 102 2HG PRO 102 5.799 18.704 -7.503 71 HG3 PRO 102 3HG PRO 102 7.377 17.946 -7.786 72 HD2 PRO 102 2HD PRO 102 7.116 20.538 -7.046 73 HD3 PRO 102 3HD PRO 102 8.434 19.972 -8.092 74 H ALA 103 H ALA 103 4.759 21.898 -11.058 75 HA ALA 103 HA ALA 103 2.331 21.647 -9.606 76 HB1 ALA 103 1HB ALA 103 3.397 23.391 -11.708 77 HB2 ALA 103 2HB ALA 103 1.649 23.161 -11.757 78 HB3 ALA 103 3HB ALA 103 2.416 23.781 -10.295 79 H ALA 104 H ALA 104 3.171 20.948 -12.998 80 HA ALA 104 HA ALA 104 1.172 18.830 -13.031 81 HB1 ALA 104 1HB ALA 104 -0.324 20.251 -13.946 82 HB2 ALA 104 2HB ALA 104 0.918 21.370 -14.508 83 HB3 ALA 104 3HB ALA 104 0.575 19.903 -15.423 84 H ALA 105 H ALA 105 3.684 20.601 -14.786 85 HA ALA 105 HA ALA 105 4.984 18.158 -15.535 86 HB1 ALA 105 1HB ALA 105 3.083 18.496 -17.223 87 HB2 ALA 105 2HB ALA 105 4.060 19.823 -17.851 88 HB3 ALA 105 3HB ALA 105 4.700 18.181 -17.851 89 H ALA 106 H ALA 106 6.367 19.608 -14.114 90 HA ALA 106 HA ALA 106 8.136 21.153 -15.861 91 HB1 ALA 106 1HB ALA 106 7.192 22.178 -13.188 92 HB2 ALA 106 2HB ALA 106 8.314 22.977 -14.290 93 HB3 ALA 106 3HB ALA 106 6.626 22.760 -14.753 94 H CYS 107 H CYS 107 8.646 18.599 -15.080 95 HA CYS 107 HA CYS 107 11.161 18.794 -13.861 96 HB2 CYS 107 2HB CYS 107 9.325 19.028 -11.919 97 HB3 CYS 107 3HB CYS 107 9.410 17.271 -12.004 98 H CYS 108 H CYS 108 9.835 17.558 -16.108 99 HA CYS 108 HA CYS 108 9.438 14.811 -15.826 100 HB2 CYS 108 2HB CYS 108 10.046 14.722 -18.284 101 HB3 CYS 108 3HB CYS 108 8.760 15.847 -17.858 102 H ASP 109 H ASP 109 10.855 13.528 -14.818 103 HA ASP 109 HA ASP 109 13.269 12.773 -16.015 104 HB2 ASP 109 2HB ASP 109 13.580 15.153 -14.631 105 HB3 ASP 109 3HB ASP 109 14.140 13.939 -13.484 106 HA PRO 110 HA PRO 110 11.455 9.845 -12.958 107 HB2 PRO 110 2HB PRO 110 11.680 7.680 -14.580 108 HB3 PRO 110 3HB PRO 110 10.301 8.784 -14.638 109 HG2 PRO 110 2HG PRO 110 12.715 8.675 -16.405 110 HG3 PRO 110 3HG PRO 110 11.014 8.911 -16.848 111 HD2 PRO 110 2HD PRO 110 12.773 10.963 -16.675 112 HD3 PRO 110 3HD PRO 110 11.049 11.147 -16.291 113 H CYS 111 H CYS 111 14.448 10.324 -14.432 114 HA CYS 111 HA CYS 111 15.691 8.161 -12.867 115 HB2 CYS 111 2HB CYS 111 16.138 9.135 -15.550 116 HB3 CYS 111 3HB CYS 111 17.615 9.250 -14.599 117 H ALA 112 H ALA 112 14.968 11.286 -12.559 118 HA ALA 112 HA ALA 112 17.510 11.969 -11.232 119 HB1 ALA 112 1HB ALA 112 16.499 13.394 -13.194 120 HB2 ALA 112 2HB ALA 112 15.500 14.062 -11.902 121 HB3 ALA 112 3HB ALA 112 17.257 14.173 -11.805 122 H SER 113 H SER 113 16.738 14.013 -9.632 123 HA SER 113 HA SER 113 14.474 13.160 -8.022 124 HB2 SER 113 2HB SER 113 16.610 11.905 -7.287 125 HB3 SER 113 3HB SER 113 17.139 13.463 -6.653 126 HG SER 113 HG SER 113 15.906 11.967 -5.210 127 H CYS 114 H CYS 114 13.640 14.772 -6.715 128 HA CYS 114 HA CYS 114 14.131 17.433 -7.508 129 HB2 CYS 114 2HB CYS 114 12.003 16.366 -6.469 130 HB3 CYS 114 3HB CYS 114 12.768 16.724 -4.925 131 H TYR 115 H TYR 115 16.246 18.036 -7.174 132 HA TYR 115 HA TYR 115 17.463 17.751 -4.564 133 HB2 TYR 115 2HB TYR 115 18.806 17.485 -6.617 134 HB3 TYR 115 3HB TYR 115 18.476 19.161 -7.044 135 HD1 TYR 115 HD2 TYR 115 19.300 20.978 -5.450 136 HD2 TYR 115 HD1 TYR 115 20.621 16.939 -5.239 137 HE1 TYR 115 HE2 TYR 115 21.274 21.696 -4.170 138 HE2 TYR 115 HE1 TYR 115 22.598 17.645 -3.958 139 HH TYR 115 HH TYR 115 23.097 19.778 -2.372 140 H CYS 116 H CYS 116 17.699 19.294 -3.046 141 HA CYS 116 HA CYS 116 16.759 22.011 -3.686 142 HB2 CYS 116 2HB CYS 116 16.253 20.526 -1.100 143 HB3 CYS 116 3HB CYS 116 15.708 22.153 -1.493 144 H ARG 117 H ARG 117 17.596 23.691 -2.257 145 HA ARG 117 HA ARG 117 20.167 22.968 -1.017 146 HB2 ARG 117 2HB ARG 117 20.869 25.344 -1.801 147 HB3 ARG 117 3HB ARG 117 20.903 24.017 -2.953 148 HG2 ARG 117 2HG ARG 117 19.893 25.675 -4.177 149 HG3 ARG 117 3HG ARG 117 18.496 24.811 -3.532 150 HD2 ARG 117 2HD ARG 117 17.888 26.526 -2.191 151 HD3 ARG 117 3HD ARG 117 19.555 26.989 -1.850 152 HE ARG 117 HE ARG 117 19.364 28.558 -3.485 153 HH11 ARG 117 1HH1 ARG 117 17.049 26.037 -4.116 154 HH12 ARG 117 2HH1 ARG 117 16.359 26.834 -5.491 155 HH21 ARG 117 1HH2 ARG 117 18.466 29.618 -5.293 156 HH22 ARG 117 2HH2 ARG 117 17.167 28.871 -6.160 157 H PHE 118 H PHE 118 20.901 25.386 -0.005 158 HA PHE 118 HA PHE 118 19.802 25.599 2.427 159 HB2 PHE 118 2HB PHE 118 20.980 27.682 0.632 160 HB3 PHE 118 3HB PHE 118 20.283 28.179 2.171 161 HD1 PHE 118 HD2 PHE 118 21.210 27.263 4.289 162 HD2 PHE 118 HD1 PHE 118 23.076 26.610 0.521 163 HE1 PHE 118 HE2 PHE 118 23.298 26.643 5.435 164 HE2 PHE 118 HE1 PHE 118 25.167 25.988 1.660 165 HZ PHE 118 HZ PHE 118 25.280 26.006 4.121 166 H PHE 119 H PHE 119 18.703 27.638 -0.288 167 HA PHE 119 HA PHE 119 16.586 28.894 0.919 168 HB2 PHE 119 2HB PHE 119 17.552 28.962 -1.558 169 HB3 PHE 119 3HB PHE 119 16.173 27.914 -1.867 170 HD1 PHE 119 HD2 PHE 119 16.745 30.976 0.194 171 HD2 PHE 119 HD1 PHE 119 14.414 29.040 -2.795 172 HE1 PHE 119 HE2 PHE 119 15.281 32.949 0.063 173 HE2 PHE 119 HE1 PHE 119 12.946 31.011 -2.932 174 HZ PHE 119 HZ PHE 119 13.379 32.967 -1.500 175 H ARG 120 H ARG 120 16.491 25.776 -0.794 176 HA ARG 120 HA ARG 120 15.070 24.005 -0.651 177 HB2 ARG 120 2HB ARG 120 15.600 24.421 1.841 178 HB3 ARG 120 3HB ARG 120 13.995 25.136 1.919 179 HG2 ARG 120 2HG ARG 120 13.494 23.009 2.533 180 HG3 ARG 120 3HG ARG 120 13.307 22.856 0.784 181 HD2 ARG 120 2HD ARG 120 15.734 22.132 0.729 182 HD3 ARG 120 3HD ARG 120 15.642 22.015 2.485 183 HE ARG 120 HE ARG 120 13.528 20.556 1.336 184 HH11 ARG 120 1HH1 ARG 120 16.986 20.450 1.721 185 HH12 ARG 120 2HH1 ARG 120 17.071 18.720 1.660 186 HH21 ARG 120 1HH2 ARG 120 13.626 18.278 1.253 187 HH22 ARG 120 2HH2 ARG 120 15.159 17.486 1.393 188 H SER 121 H SER 121 14.227 26.742 -1.671 189 HA SER 121 HA SER 121 11.323 26.241 -1.640 190 HB2 SER 121 2HB SER 121 12.562 28.507 -0.699 191 HB3 SER 121 3HB SER 121 12.148 28.969 -2.349 192 HG SER 121 HG SER 121 10.485 28.332 -0.199 193 H ALA 122 H ALA 122 14.149 27.076 -3.518 194 HA ALA 122 HA ALA 122 12.549 26.888 -5.984 195 HB1 ALA 122 1HB ALA 122 14.682 27.960 -6.992 196 HB2 ALA 122 2HB ALA 122 13.560 28.968 -6.076 197 HB3 ALA 122 3HB ALA 122 15.047 28.393 -5.321 198 H CYS 123 H CYS 123 13.046 24.496 -4.896 199 HA CYS 123 HA CYS 123 15.481 23.257 -5.473 200 HB2 CYS 123 2HB CYS 123 12.746 21.969 -5.546 201 HB3 CYS 123 3HB CYS 123 14.285 21.154 -5.291 202 H TYR 124 H TYR 124 15.598 21.365 -7.114 203 HA TYR 124 HA TYR 124 14.290 21.896 -9.643 204 HB2 TYR 124 2HB TYR 124 16.653 21.897 -10.752 205 HB3 TYR 124 3HB TYR 124 16.013 23.392 -10.077 206 HD1 TYR 124 HD1 TYR 124 18.256 20.528 -9.305 207 HD2 TYR 124 HD2 TYR 124 17.206 24.558 -8.434 208 HE1 TYR 124 HE1 TYR 124 20.257 20.737 -7.890 209 HE2 TYR 124 HE2 TYR 124 19.205 24.778 -7.018 210 HH TYR 124 HH TYR 124 20.707 22.907 -5.653 211 H CYS 125 H CYS 125 14.751 20.244 -11.259 212 HA CYS 125 HA CYS 125 14.935 17.647 -10.052 213 HB2 CYS 125 2HB CYS 125 14.147 18.761 -12.649 214 HB3 CYS 125 3HB CYS 125 14.972 17.210 -12.768 215 H ARG 126 H ARG 126 16.977 17.260 -9.303 216 HA ARG 126 HA ARG 126 19.196 17.471 -11.217 217 HB2 ARG 126 2HB ARG 126 19.179 18.494 -8.789 218 HB3 ARG 126 3HB ARG 126 19.605 16.854 -8.321 219 HG2 ARG 126 2HG ARG 126 21.558 16.940 -9.788 220 HG3 ARG 126 3HG ARG 126 21.129 18.589 -10.254 221 HD2 ARG 126 2HD ARG 126 21.167 18.977 -7.651 222 HD3 ARG 126 3HD ARG 126 22.209 17.555 -7.676 223 HE ARG 126 HE ARG 126 22.853 20.200 -8.613 224 HH11 ARG 126 1HH1 ARG 126 23.607 16.808 -8.831 225 HH12 ARG 126 2HH1 ARG 126 25.230 17.070 -9.380 226 HH21 ARG 126 1HH2 ARG 126 24.987 20.558 -9.336 227 HH22 ARG 126 2HH2 ARG 126 26.013 19.203 -9.666 228 H VAL 127 H VAL 127 20.208 15.706 -11.967 229 HA VAL 127 HA VAL 127 19.124 13.107 -11.281 230 HB VAL 127 HB VAL 127 20.718 12.303 -13.077 231 HG11 VAL 127 1HG1 VAL 127 18.508 14.262 -13.568 232 HG12 VAL 127 2HG1 VAL 127 19.375 13.526 -14.918 233 HG13 VAL 127 3HG1 VAL 127 18.510 12.510 -13.765 234 HG21 VAL 127 3HG2 VAL 127 22.213 13.667 -14.015 235 HG22 VAL 127 1HG2 VAL 127 21.005 14.926 -14.271 236 HG23 VAL 127 2HG2 VAL 127 21.849 14.813 -12.725 237 H LEU 128 H LEU 128 19.877 12.523 -9.286 238 HA LEU 128 HA LEU 128 22.745 12.633 -8.758 239 HB2 LEU 128 2HB LEU 128 20.371 11.940 -7.045 240 HB3 LEU 128 3HB LEU 128 22.037 11.773 -6.494 241 HG LEU 128 HG LEU 128 21.197 13.806 -5.604 242 HD11 LEU 128 1HD1 LEU 128 22.719 15.426 -6.503 243 HD12 LEU 128 2HD1 LEU 128 22.837 14.539 -8.023 244 HD13 LEU 128 3HD1 LEU 128 23.496 13.842 -6.543 245 HD21 LEU 128 3HD2 LEU 128 19.965 15.401 -6.734 246 HD22 LEU 128 1HD2 LEU 128 19.373 13.903 -7.453 247 HD23 LEU 128 2HD2 LEU 128 20.554 14.889 -8.315 248 H SER 129 H SER 129 21.463 10.760 -10.708 249 HA SER 129 HA SER 129 22.036 8.173 -9.458 250 HB2 SER 129 2HB SER 129 20.775 8.849 -12.127 251 HB3 SER 129 3HB SER 129 21.038 7.212 -11.525 252 HG SER 129 HG SER 129 18.898 8.123 -11.138 253 H LEU 130 H LEU 130 23.103 10.301 -12.044 254 HA LEU 130 HA LEU 130 24.974 10.337 -13.335 255 HB2 LEU 130 2HB LEU 130 26.256 8.448 -11.396 256 HB3 LEU 130 3HB LEU 130 27.002 9.733 -12.343 257 HG LEU 130 HG LEU 130 25.238 11.093 -10.716 258 HD11 LEU 130 1HD1 LEU 130 24.898 10.045 -8.790 259 HD12 LEU 130 2HD1 LEU 130 26.605 9.627 -8.643 260 HD13 LEU 130 3HD1 LEU 130 25.516 8.579 -9.552 261 HD21 LEU 130 3HD2 LEU 130 28.094 10.549 -9.967 262 HD22 LEU 130 1HD2 LEU 130 27.161 12.033 -9.765 263 HD23 LEU 130 2HD2 LEU 130 27.668 11.522 -11.376 264 H ASN 131 H ASN 131 22.962 8.097 -13.547 265 HA ASN 131 HA ASN 131 24.662 6.235 -15.071 266 HB2 ASN 131 2HB ASN 131 23.736 5.108 -13.114 267 HB3 ASN 131 3HB ASN 131 22.111 5.615 -13.564 268 HD21 ASN 131 1HD2 ASN 131 20.945 4.215 -14.659 269 HD22 ASN 131 2HD2 ASN 131 21.551 2.876 -15.567 270 H CYS 132 H CYS 132 21.666 8.041 -14.907 271 HA CYS 132 HA CYS 132 20.935 7.200 -17.612 272 HB2 CYS 132 2HB CYS 132 19.382 9.030 -15.781 273 HB3 CYS 132 3HB CYS 132 18.789 8.173 -17.200 Start of MODEL 15 1 H CYS 93 H CYS 93 9.448 19.759 -20.790 2 HA CYS 93 HA CYS 93 8.333 20.656 -18.212 3 HB2 CYS 93 2HB CYS 93 9.296 18.426 -17.344 4 HB3 CYS 93 3HB CYS 93 7.795 18.375 -18.262 5 H VAL 94 H VAL 94 10.149 19.938 -16.445 6 HA VAL 94 HA VAL 94 12.376 21.667 -17.037 7 HB VAL 94 HB VAL 94 11.376 20.259 -14.608 8 HG11 VAL 94 1HG1 VAL 94 13.610 19.604 -14.387 9 HG12 VAL 94 2HG1 VAL 94 14.215 21.121 -15.055 10 HG13 VAL 94 3HG1 VAL 94 13.500 21.089 -13.444 11 HG21 VAL 94 3HG2 VAL 94 11.715 22.536 -13.649 12 HG22 VAL 94 1HG2 VAL 94 12.245 23.074 -15.242 13 HG23 VAL 94 2HG2 VAL 94 10.596 22.491 -15.012 14 H ALA 95 H ALA 95 14.217 21.037 -17.928 15 HA ALA 95 HA ALA 95 14.825 18.350 -18.528 16 HB1 ALA 95 1HB ALA 95 17.165 19.399 -18.987 17 HB2 ALA 95 2HB ALA 95 15.789 19.840 -20.000 18 HB3 ALA 95 3HB ALA 95 16.324 20.925 -18.717 19 H THR 96 H THR 96 16.765 20.544 -16.492 20 HA THR 96 HA THR 96 16.937 18.648 -14.350 21 HB THR 96 HB THR 96 19.564 19.208 -15.700 22 HG1 THR 96 HG1 THR 96 18.100 16.803 -16.055 23 HG21 THR 96 3HG2 THR 96 18.732 16.912 -13.934 24 HG22 THR 96 1HG2 THR 96 19.408 18.415 -13.307 25 HG23 THR 96 2HG2 THR 96 20.367 17.398 -14.383 26 H ARG 97 H ARG 97 17.863 19.516 -12.481 27 HA ARG 97 HA ARG 97 18.038 21.302 -11.033 28 HB2 ARG 97 2HB ARG 97 20.178 22.400 -11.225 29 HB3 ARG 97 3HB ARG 97 20.361 20.715 -11.689 30 HG2 ARG 97 2HG ARG 97 19.812 22.650 -13.857 31 HG3 ARG 97 3HG ARG 97 21.401 22.719 -13.092 32 HD2 ARG 97 2HD ARG 97 20.574 19.999 -13.680 33 HD3 ARG 97 3HD ARG 97 20.621 21.009 -15.124 34 HE ARG 97 HE ARG 97 22.959 21.206 -13.445 35 HH11 ARG 97 1HH1 ARG 97 21.434 19.543 -16.096 36 HH12 ARG 97 2HH1 ARG 97 22.928 18.987 -16.777 37 HH21 ARG 97 1HH2 ARG 97 24.931 20.480 -14.331 38 HH22 ARG 97 2HH2 ARG 97 24.916 19.520 -15.770 39 H ASN 98 H ASN 98 16.036 21.872 -12.845 40 HA ASN 98 HA ASN 98 16.506 24.670 -13.612 41 HB2 ASN 98 2HB ASN 98 15.581 22.807 -15.228 42 HB3 ASN 98 3HB ASN 98 14.055 23.154 -14.421 43 HD21 ASN 98 1HD2 ASN 98 14.616 23.573 -17.161 44 HD22 ASN 98 2HD2 ASN 98 14.493 25.269 -17.469 45 H SER 99 H SER 99 13.663 22.798 -12.550 46 HA SER 99 HA SER 99 13.257 24.564 -10.295 47 HB2 SER 99 2HB SER 99 12.213 25.858 -12.088 48 HB3 SER 99 3HB SER 99 11.248 24.459 -12.558 49 HG SER 99 HG SER 99 9.893 24.921 -11.027 50 H CYS 100 H CYS 100 11.889 23.714 -8.736 51 HA CYS 100 HA CYS 100 11.240 20.883 -9.109 52 HB2 CYS 100 2HB CYS 100 12.114 22.527 -6.866 53 HB3 CYS 100 3HB CYS 100 10.734 21.512 -6.455 54 H LYS 101 H LYS 101 9.303 20.499 -7.227 55 HA LYS 101 HA LYS 101 7.067 20.637 -6.814 56 HB2 LYS 101 2HB LYS 101 7.018 23.324 -8.170 57 HB3 LYS 101 3HB LYS 101 5.963 22.723 -6.897 58 HG2 LYS 101 2HG LYS 101 8.863 23.482 -6.631 59 HG3 LYS 101 3HG LYS 101 7.470 24.349 -5.981 60 HD2 LYS 101 2HD LYS 101 6.944 22.415 -4.561 61 HD3 LYS 101 3HD LYS 101 8.355 21.570 -5.201 62 HE2 LYS 101 2HE LYS 101 9.843 22.935 -4.088 63 HE3 LYS 101 3HE LYS 101 8.699 24.271 -3.981 64 HZ1 LYS 101 3HZ LYS 101 8.645 21.759 -2.401 65 HZ2 LYS 101 1HZ LYS 101 7.425 22.932 -2.366 66 HZ3 LYS 101 2HZ LYS 101 8.981 23.314 -1.825 67 HA PRO 102 HA PRO 102 6.414 19.398 -11.235 68 HB2 PRO 102 2HB PRO 102 5.618 16.871 -10.645 69 HB3 PRO 102 3HB PRO 102 7.315 17.320 -10.849 70 HG2 PRO 102 2HG PRO 102 5.740 16.960 -8.329 71 HG3 PRO 102 3HG PRO 102 7.388 16.422 -8.706 72 HD2 PRO 102 2HD PRO 102 6.879 18.638 -7.234 73 HD3 PRO 102 3HD PRO 102 8.294 18.501 -8.296 74 H ALA 103 H ALA 103 4.657 21.085 -10.491 75 HA ALA 103 HA ALA 103 2.079 19.659 -10.386 76 HB1 ALA 103 1HB ALA 103 2.932 22.175 -8.994 77 HB2 ALA 103 2HB ALA 103 1.231 21.823 -9.301 78 HB3 ALA 103 3HB ALA 103 2.193 20.725 -8.312 79 H ALA 104 H ALA 104 3.838 22.479 -11.580 80 HA ALA 104 HA ALA 104 1.664 23.273 -13.317 81 HB1 ALA 104 1HB ALA 104 4.483 24.335 -13.193 82 HB2 ALA 104 2HB ALA 104 3.105 25.087 -13.998 83 HB3 ALA 104 3HB ALA 104 3.128 24.944 -12.240 84 H ALA 105 H ALA 105 3.696 20.777 -13.469 85 HA ALA 105 HA ALA 105 4.123 19.322 -15.195 86 HB1 ALA 105 1HB ALA 105 3.504 21.264 -17.342 87 HB2 ALA 105 2HB ALA 105 3.087 19.556 -17.198 88 HB3 ALA 105 3HB ALA 105 2.170 20.765 -16.300 89 H ALA 106 H ALA 106 6.159 20.631 -14.035 90 HA ALA 106 HA ALA 106 7.999 21.042 -16.278 91 HB1 ALA 106 1HB ALA 106 7.098 23.225 -15.111 92 HB2 ALA 106 2HB ALA 106 8.327 22.816 -13.913 93 HB3 ALA 106 3HB ALA 106 8.787 23.076 -15.595 94 H CYS 107 H CYS 107 8.220 18.716 -15.391 95 HA CYS 107 HA CYS 107 10.707 18.426 -14.204 96 HB2 CYS 107 2HB CYS 107 8.652 18.949 -12.281 97 HB3 CYS 107 3HB CYS 107 9.211 17.292 -12.073 98 H CYS 108 H CYS 108 10.654 16.984 -16.006 99 HA CYS 108 HA CYS 108 9.144 14.500 -15.547 100 HB2 CYS 108 2HB CYS 108 9.608 14.044 -17.968 101 HB3 CYS 108 3HB CYS 108 8.612 15.467 -17.682 102 H ASP 109 H ASP 109 10.547 12.737 -17.064 103 HA ASP 109 HA ASP 109 12.379 11.380 -17.134 104 HB2 ASP 109 2HB ASP 109 14.049 13.477 -15.781 105 HB3 ASP 109 3HB ASP 109 14.530 12.282 -16.983 106 HA PRO 110 HA PRO 110 11.681 9.954 -12.919 107 HB2 PRO 110 2HB PRO 110 12.125 7.338 -13.495 108 HB3 PRO 110 3HB PRO 110 10.592 8.150 -13.833 109 HG2 PRO 110 2HG PRO 110 12.866 7.549 -15.685 110 HG3 PRO 110 3HG PRO 110 11.123 7.382 -15.963 111 HD2 PRO 110 2HD PRO 110 12.551 9.484 -16.897 112 HD3 PRO 110 3HD PRO 110 10.850 9.626 -16.407 113 H CYS 111 H CYS 111 14.456 10.064 -14.833 114 HA CYS 111 HA CYS 111 16.182 8.616 -13.019 115 HB2 CYS 111 2HB CYS 111 16.406 9.819 -15.681 116 HB3 CYS 111 3HB CYS 111 17.838 10.061 -14.684 117 H ALA 112 H ALA 112 14.829 11.681 -13.109 118 HA ALA 112 HA ALA 112 17.030 12.859 -11.553 119 HB1 ALA 112 1HB ALA 112 14.751 14.536 -12.431 120 HB2 ALA 112 2HB ALA 112 16.473 14.913 -12.343 121 HB3 ALA 112 3HB ALA 112 15.849 13.945 -13.679 122 H SER 113 H SER 113 16.342 14.318 -9.751 123 HA SER 113 HA SER 113 13.822 13.561 -8.483 124 HB2 SER 113 2HB SER 113 15.362 11.937 -7.568 125 HB3 SER 113 3HB SER 113 16.540 13.197 -7.201 126 HG SER 113 HG SER 113 15.201 12.478 -5.399 127 H CYS 114 H CYS 114 13.115 15.017 -6.864 128 HA CYS 114 HA CYS 114 13.853 17.722 -7.345 129 HB2 CYS 114 2HB CYS 114 11.554 16.931 -6.703 130 HB3 CYS 114 3HB CYS 114 12.166 16.657 -5.074 131 H TYR 115 H TYR 115 15.842 18.345 -6.724 132 HA TYR 115 HA TYR 115 16.695 17.722 -3.977 133 HB2 TYR 115 2HB TYR 115 18.352 16.901 -5.420 134 HB3 TYR 115 3HB TYR 115 18.229 18.286 -6.500 135 HD1 TYR 115 HD2 TYR 115 19.498 17.146 -3.226 136 HD2 TYR 115 HD1 TYR 115 19.518 20.254 -6.132 137 HE1 TYR 115 HE2 TYR 115 21.391 18.208 -2.069 138 HE2 TYR 115 HE1 TYR 115 21.412 21.323 -4.984 139 HH TYR 115 HH TYR 115 22.946 21.111 -3.373 140 H CYS 116 H CYS 116 17.456 19.348 -2.630 141 HA CYS 116 HA CYS 116 16.941 22.103 -3.544 142 HB2 CYS 116 2HB CYS 116 16.497 21.042 -0.746 143 HB3 CYS 116 3HB CYS 116 16.118 22.658 -1.333 144 H ARG 117 H ARG 117 18.183 23.768 -2.461 145 HA ARG 117 HA ARG 117 20.744 22.769 -1.400 146 HB2 ARG 117 2HB ARG 117 21.670 24.953 -2.424 147 HB3 ARG 117 3HB ARG 117 21.334 23.600 -3.497 148 HG2 ARG 117 2HG ARG 117 20.464 25.417 -4.637 149 HG3 ARG 117 3HG ARG 117 19.046 24.722 -3.846 150 HD2 ARG 117 2HD ARG 117 18.795 26.485 -2.445 151 HD3 ARG 117 3HD ARG 117 20.532 26.763 -2.315 152 HE ARG 117 HE ARG 117 20.320 28.339 -3.941 153 HH11 ARG 117 1HH1 ARG 117 17.673 26.097 -4.238 154 HH12 ARG 117 2HH1 ARG 117 16.910 26.966 -5.527 155 HH21 ARG 117 1HH2 ARG 117 19.324 29.492 -5.639 156 HH22 ARG 117 2HH2 ARG 117 17.851 28.897 -6.324 157 H PHE 118 H PHE 118 21.901 25.121 -0.655 158 HA PHE 118 HA PHE 118 21.167 25.612 1.868 159 HB2 PHE 118 2HB PHE 118 22.384 27.358 -0.209 160 HB3 PHE 118 3HB PHE 118 21.858 28.129 1.284 161 HD1 PHE 118 HD2 PHE 118 23.422 24.809 0.645 162 HD2 PHE 118 HD1 PHE 118 23.739 28.619 2.517 163 HE1 PHE 118 HE2 PHE 118 25.504 24.093 1.743 164 HE2 PHE 118 HE1 PHE 118 25.822 27.908 3.618 165 HZ PHE 118 HZ PHE 118 26.706 25.643 3.232 166 H PHE 119 H PHE 119 20.005 27.713 -0.773 167 HA PHE 119 HA PHE 119 18.206 29.237 0.599 168 HB2 PHE 119 2HB PHE 119 18.845 29.056 -1.991 169 HB3 PHE 119 3HB PHE 119 17.295 28.223 -2.047 170 HD1 PHE 119 HD2 PHE 119 18.610 31.241 -0.282 171 HD2 PHE 119 HD1 PHE 119 15.604 29.568 -2.788 172 HE1 PHE 119 HE2 PHE 119 17.451 33.411 -0.335 173 HE2 PHE 119 HE1 PHE 119 14.441 31.736 -2.847 174 HZ PHE 119 HZ PHE 119 15.364 33.661 -1.617 175 H ARG 120 H ARG 120 17.517 26.095 -0.928 176 HA ARG 120 HA ARG 120 15.930 24.519 -0.515 177 HB2 ARG 120 2HB ARG 120 16.819 25.067 1.893 178 HB3 ARG 120 3HB ARG 120 15.242 25.817 2.093 179 HG2 ARG 120 2HG ARG 120 14.712 23.751 2.830 180 HG3 ARG 120 3HG ARG 120 14.456 23.468 1.107 181 HD2 ARG 120 2HD ARG 120 15.758 21.656 1.886 182 HD3 ARG 120 3HD ARG 120 16.861 22.709 1.001 183 HE ARG 120 HE ARG 120 16.999 23.496 3.643 184 HH11 ARG 120 1HH1 ARG 120 17.622 20.603 1.808 185 HH12 ARG 120 2HH1 ARG 120 18.861 20.036 2.878 186 HH21 ARG 120 1HH2 ARG 120 18.629 22.759 5.058 187 HH22 ARG 120 2HH2 ARG 120 19.432 21.263 4.727 188 H SER 121 H SER 121 15.304 27.398 -1.448 189 HA SER 121 HA SER 121 12.385 27.228 -1.073 190 HB2 SER 121 2HB SER 121 14.022 29.353 -0.426 191 HB3 SER 121 3HB SER 121 13.404 29.808 -2.013 192 HG SER 121 HG SER 121 11.999 29.326 0.375 193 H ALA 122 H ALA 122 15.016 27.454 -3.317 194 HA ALA 122 HA ALA 122 13.094 27.443 -5.554 195 HB1 ALA 122 1HB ALA 122 15.817 28.662 -5.304 196 HB2 ALA 122 2HB ALA 122 15.169 28.224 -6.886 197 HB3 ALA 122 3HB ALA 122 14.314 29.388 -5.875 198 H CYS 123 H CYS 123 13.444 25.054 -4.426 199 HA CYS 123 HA CYS 123 15.625 23.503 -5.193 200 HB2 CYS 123 2HB CYS 123 12.762 22.555 -4.981 201 HB3 CYS 123 3HB CYS 123 14.215 21.576 -4.808 202 H TYR 124 H TYR 124 15.671 21.775 -6.837 203 HA TYR 124 HA TYR 124 14.051 22.224 -9.211 204 HB2 TYR 124 2HB TYR 124 16.360 22.136 -10.513 205 HB3 TYR 124 3HB TYR 124 15.682 23.660 -9.953 206 HD1 TYR 124 HD2 TYR 124 18.036 20.961 -8.917 207 HD2 TYR 124 HD1 TYR 124 16.963 25.068 -8.617 208 HE1 TYR 124 HE2 TYR 124 20.092 21.400 -7.641 209 HE2 TYR 124 HE1 TYR 124 19.017 25.517 -7.341 210 HH TYR 124 HH TYR 124 21.581 23.362 -7.168 211 H CYS 125 H CYS 125 14.356 20.541 -10.843 212 HA CYS 125 HA CYS 125 14.576 17.966 -9.629 213 HB2 CYS 125 2HB CYS 125 13.837 19.039 -12.289 214 HB3 CYS 125 3HB CYS 125 14.469 17.396 -12.269 215 H ARG 126 H ARG 126 16.704 17.786 -8.889 216 HA ARG 126 HA ARG 126 18.828 17.816 -10.907 217 HB2 ARG 126 2HB ARG 126 19.008 19.034 -8.650 218 HB3 ARG 126 3HB ARG 126 19.213 17.435 -7.946 219 HG2 ARG 126 2HG ARG 126 21.206 17.064 -9.237 220 HG3 ARG 126 3HG ARG 126 20.966 18.578 -10.109 221 HD2 ARG 126 2HD ARG 126 20.953 19.522 -7.609 222 HD3 ARG 126 3HD ARG 126 21.961 18.097 -7.362 223 HE ARG 126 HE ARG 126 22.654 20.488 -8.814 224 HH11 ARG 126 1HH1 ARG 126 23.341 17.112 -8.321 225 HH12 ARG 126 2HH1 ARG 126 24.968 17.223 -8.908 226 HH21 ARG 126 1HH2 ARG 126 24.793 20.648 -9.589 227 HH22 ARG 126 2HH2 ARG 126 25.792 19.235 -9.627 228 H VAL 127 H VAL 127 19.835 16.014 -11.581 229 HA VAL 127 HA VAL 127 18.734 13.459 -10.798 230 HB VAL 127 HB VAL 127 20.360 12.558 -12.506 231 HG11 VAL 127 1HG1 VAL 127 18.170 12.826 -13.259 232 HG12 VAL 127 2HG1 VAL 127 18.259 14.588 -13.186 233 HG13 VAL 127 3HG1 VAL 127 19.130 13.711 -14.445 234 HG21 VAL 127 3HG2 VAL 127 21.978 13.839 -13.330 235 HG22 VAL 127 1HG2 VAL 127 20.805 15.049 -13.851 236 HG23 VAL 127 2HG2 VAL 127 21.484 15.121 -12.226 237 H LEU 128 H LEU 128 19.421 12.647 -8.913 238 HA LEU 128 HA LEU 128 22.240 12.910 -8.173 239 HB2 LEU 128 2HB LEU 128 19.997 11.773 -6.522 240 HB3 LEU 128 3HB LEU 128 21.590 12.280 -5.965 241 HG LEU 128 HG LEU 128 20.034 14.416 -7.230 242 HD11 LEU 128 1HD1 LEU 128 18.094 13.994 -6.218 243 HD12 LEU 128 2HD1 LEU 128 18.913 14.416 -4.715 244 HD13 LEU 128 3HD1 LEU 128 18.797 12.728 -5.212 245 HD21 LEU 128 3HD2 LEU 128 21.883 13.993 -4.964 246 HD22 LEU 128 1HD2 LEU 128 20.709 15.298 -4.791 247 HD23 LEU 128 2HD2 LEU 128 21.824 15.291 -6.158 248 H SER 129 H SER 129 21.275 11.086 -10.281 249 HA SER 129 HA SER 129 21.788 8.461 -9.083 250 HB2 SER 129 2HB SER 129 20.742 9.268 -11.803 251 HB3 SER 129 3HB SER 129 21.106 7.602 -11.354 252 HG SER 129 HG SER 129 19.523 7.704 -9.782 253 H LEU 130 H LEU 130 22.865 10.444 -11.838 254 HA LEU 130 HA LEU 130 24.847 10.566 -12.947 255 HB2 LEU 130 2HB LEU 130 26.049 9.202 -10.548 256 HB3 LEU 130 3HB LEU 130 26.869 10.226 -11.724 257 HG LEU 130 HG LEU 130 24.872 11.102 -9.640 258 HD11 LEU 130 1HD1 LEU 130 27.817 11.100 -9.850 259 HD12 LEU 130 2HD1 LEU 130 26.777 11.008 -8.429 260 HD13 LEU 130 3HD1 LEU 130 27.072 12.563 -9.208 261 HD21 LEU 130 3HD2 LEU 130 26.221 12.646 -11.849 262 HD22 LEU 130 1HD2 LEU 130 25.429 13.393 -10.461 263 HD23 LEU 130 2HD2 LEU 130 24.489 12.422 -11.594 264 H ASN 131 H ASN 131 23.136 8.151 -13.108 265 HA ASN 131 HA ASN 131 25.049 6.479 -14.512 266 HB2 ASN 131 2HB ASN 131 24.595 5.739 -11.982 267 HB3 ASN 131 3HB ASN 131 23.192 4.983 -12.731 268 HD21 ASN 131 1HD2 ASN 131 25.169 3.513 -11.497 269 HD22 ASN 131 2HD2 ASN 131 26.017 2.590 -12.685 270 H CYS 132 H CYS 132 22.933 8.200 -15.359 271 HA CYS 132 HA CYS 132 20.893 6.310 -16.304 272 HB2 CYS 132 2HB CYS 132 20.280 8.512 -15.124 273 HB3 CYS 132 3HB CYS 132 20.784 9.304 -16.613 Start of MODEL 16 1 H CYS 93 H CYS 93 8.704 21.116 -20.648 2 HA CYS 93 HA CYS 93 7.429 20.996 -18.124 3 HB2 CYS 93 2HB CYS 93 8.686 18.805 -17.469 4 HB3 CYS 93 3HB CYS 93 7.131 18.698 -18.289 5 H VAL 94 H VAL 94 9.312 20.328 -16.408 6 HA VAL 94 HA VAL 94 11.384 22.288 -16.897 7 HB VAL 94 HB VAL 94 10.104 21.244 -14.594 8 HG11 VAL 94 1HG1 VAL 94 11.964 20.696 -13.146 9 HG12 VAL 94 2HG1 VAL 94 11.935 19.592 -14.523 10 HG13 VAL 94 3HG1 VAL 94 13.100 20.916 -14.477 11 HG21 VAL 94 3HG2 VAL 94 11.765 23.034 -13.564 12 HG22 VAL 94 1HG2 VAL 94 12.008 23.423 -15.267 13 HG23 VAL 94 2HG2 VAL 94 10.392 23.509 -14.565 14 H ALA 95 H ALA 95 13.534 21.910 -17.162 15 HA ALA 95 HA ALA 95 14.298 19.214 -17.915 16 HB1 ALA 95 1HB ALA 95 16.067 20.144 -19.049 17 HB2 ALA 95 2HB ALA 95 14.897 21.464 -19.107 18 HB3 ALA 95 3HB ALA 95 16.210 21.502 -17.932 19 H THR 96 H THR 96 16.998 19.212 -17.321 20 HA THR 96 HA THR 96 17.010 18.220 -14.685 21 HB THR 96 HB THR 96 19.523 19.083 -16.087 22 HG1 THR 96 HG1 THR 96 17.823 16.895 -16.726 23 HG21 THR 96 3HG2 THR 96 20.497 17.848 -14.510 24 HG22 THR 96 1HG2 THR 96 19.542 16.444 -14.984 25 HG23 THR 96 2HG2 THR 96 18.917 17.571 -13.779 26 H ARG 97 H ARG 97 17.538 19.107 -12.764 27 HA ARG 97 HA ARG 97 17.643 20.822 -11.238 28 HB2 ARG 97 2HB ARG 97 19.801 21.852 -11.154 29 HB3 ARG 97 3HB ARG 97 20.018 20.218 -11.766 30 HG2 ARG 97 2HG ARG 97 19.651 22.339 -13.786 31 HG3 ARG 97 3HG ARG 97 21.160 22.363 -12.872 32 HD2 ARG 97 2HD ARG 97 20.551 19.681 -13.686 33 HD3 ARG 97 3HD ARG 97 20.501 20.755 -15.084 34 HE ARG 97 HE ARG 97 22.820 20.002 -13.549 35 HH11 ARG 97 1HH1 ARG 97 21.439 22.350 -15.717 36 HH12 ARG 97 2HH1 ARG 97 22.973 22.914 -16.293 37 HH21 ARG 97 1HH2 ARG 97 24.846 20.736 -14.299 38 HH22 ARG 97 2HH2 ARG 97 24.910 21.994 -15.485 39 H ASN 98 H ASN 98 15.892 21.457 -13.363 40 HA ASN 98 HA ASN 98 16.451 24.206 -14.119 41 HB2 ASN 98 2HB ASN 98 15.343 22.469 -15.638 42 HB3 ASN 98 3HB ASN 98 13.901 22.685 -14.651 43 HD21 ASN 98 1HD2 ASN 98 14.747 23.363 -17.508 44 HD22 ASN 98 2HD2 ASN 98 14.235 25.002 -17.701 45 H SER 99 H SER 99 13.600 22.618 -12.672 46 HA SER 99 HA SER 99 13.502 24.485 -10.497 47 HB2 SER 99 2HB SER 99 12.555 25.771 -12.477 48 HB3 SER 99 3HB SER 99 11.216 24.623 -12.467 49 HG SER 99 HG SER 99 10.435 26.050 -11.106 50 H CYS 100 H CYS 100 12.144 23.818 -8.857 51 HA CYS 100 HA CYS 100 11.098 21.108 -9.154 52 HB2 CYS 100 2HB CYS 100 12.257 22.656 -6.993 53 HB3 CYS 100 3HB CYS 100 10.733 21.925 -6.505 54 H LYS 101 H LYS 101 9.172 21.032 -7.209 55 HA LYS 101 HA LYS 101 6.965 21.412 -6.803 56 HB2 LYS 101 2HB LYS 101 8.053 24.048 -7.403 57 HB3 LYS 101 3HB LYS 101 6.354 23.915 -7.837 58 HG2 LYS 101 2HG LYS 101 6.323 24.695 -5.648 59 HG3 LYS 101 3HG LYS 101 6.020 22.963 -5.485 60 HD2 LYS 101 2HD LYS 101 7.609 23.471 -3.826 61 HD3 LYS 101 3HD LYS 101 8.530 22.718 -5.131 62 HE2 LYS 101 2HE LYS 101 9.750 24.627 -4.367 63 HE3 LYS 101 3HE LYS 101 9.089 25.003 -5.956 64 HZ1 LYS 101 3HZ LYS 101 7.518 25.746 -3.600 65 HZ2 LYS 101 1HZ LYS 101 7.641 26.516 -5.102 66 HZ3 LYS 101 2HZ LYS 101 8.884 26.675 -3.966 67 HA PRO 102 HA PRO 102 6.148 20.409 -11.271 68 HB2 PRO 102 2HB PRO 102 5.174 17.922 -10.782 69 HB3 PRO 102 3HB PRO 102 6.895 18.252 -11.015 70 HG2 PRO 102 2HG PRO 102 5.363 17.885 -8.469 71 HG3 PRO 102 3HG PRO 102 6.955 17.244 -8.920 72 HD2 PRO 102 2HD PRO 102 6.656 19.415 -7.328 73 HD3 PRO 102 3HD PRO 102 8.028 19.226 -8.438 74 H ALA 103 H ALA 103 4.514 22.118 -10.837 75 HA ALA 103 HA ALA 103 2.113 21.818 -9.538 76 HB1 ALA 103 1HB ALA 103 2.826 23.324 -12.035 77 HB2 ALA 103 2HB ALA 103 1.206 23.386 -11.341 78 HB3 ALA 103 3HB ALA 103 2.590 23.942 -10.401 79 H ALA 104 H ALA 104 2.284 21.536 -13.082 80 HA ALA 104 HA ALA 104 0.237 19.424 -12.917 81 HB1 ALA 104 1HB ALA 104 0.725 21.593 -14.920 82 HB2 ALA 104 2HB ALA 104 -0.146 20.128 -15.379 83 HB3 ALA 104 3HB ALA 104 -0.767 21.154 -14.086 84 H ALA 105 H ALA 105 3.303 20.358 -14.336 85 HA ALA 105 HA ALA 105 4.235 17.737 -14.605 86 HB1 ALA 105 1HB ALA 105 2.821 18.832 -16.981 87 HB2 ALA 105 2HB ALA 105 4.281 17.875 -17.239 88 HB3 ALA 105 3HB ALA 105 2.909 17.176 -16.379 89 H ALA 106 H ALA 106 5.612 19.564 -13.509 90 HA ALA 106 HA ALA 106 7.516 20.557 -15.529 91 HB1 ALA 106 1HB ALA 106 6.763 21.843 -12.906 92 HB2 ALA 106 2HB ALA 106 8.029 22.413 -13.994 93 HB3 ALA 106 3HB ALA 106 6.346 22.422 -14.520 94 H CYS 107 H CYS 107 8.322 18.267 -15.082 95 HA CYS 107 HA CYS 107 10.715 18.377 -13.662 96 HB2 CYS 107 2HB CYS 107 8.676 18.144 -11.864 97 HB3 CYS 107 3HB CYS 107 9.071 16.453 -12.151 98 H CYS 108 H CYS 108 10.107 17.529 -16.150 99 HA CYS 108 HA CYS 108 9.539 14.827 -16.521 100 HB2 CYS 108 2HB CYS 108 10.960 16.916 -18.099 101 HB3 CYS 108 3HB CYS 108 11.165 15.239 -18.595 102 H ASP 109 H ASP 109 11.459 13.489 -17.752 103 HA ASP 109 HA ASP 109 13.327 12.213 -17.493 104 HB2 ASP 109 2HB ASP 109 14.270 14.683 -17.124 105 HB3 ASP 109 3HB ASP 109 14.545 14.058 -15.500 106 HA PRO 110 HA PRO 110 11.672 10.326 -13.715 107 HB2 PRO 110 2HB PRO 110 12.088 7.779 -14.559 108 HB3 PRO 110 3HB PRO 110 10.681 8.734 -15.041 109 HG2 PRO 110 2HG PRO 110 13.219 8.212 -16.540 110 HG3 PRO 110 3HG PRO 110 11.548 8.205 -17.133 111 HD2 PRO 110 2HD PRO 110 13.218 10.301 -17.510 112 HD3 PRO 110 3HD PRO 110 11.466 10.501 -17.306 113 H CYS 111 H CYS 111 14.748 10.471 -15.096 114 HA CYS 111 HA CYS 111 16.017 8.744 -13.128 115 HB2 CYS 111 2HB CYS 111 16.682 9.651 -15.730 116 HB3 CYS 111 3HB CYS 111 17.906 10.285 -14.634 117 H ALA 112 H ALA 112 14.917 11.872 -13.229 118 HA ALA 112 HA ALA 112 16.971 12.819 -11.344 119 HB1 ALA 112 1HB ALA 112 15.010 14.705 -12.535 120 HB2 ALA 112 2HB ALA 112 16.703 14.952 -12.105 121 HB3 ALA 112 3HB ALA 112 16.286 14.069 -13.574 122 H SER 113 H SER 113 16.195 14.194 -9.562 123 HA SER 113 HA SER 113 13.430 13.684 -8.747 124 HB2 SER 113 2HB SER 113 15.198 11.994 -7.784 125 HB3 SER 113 3HB SER 113 15.597 13.332 -6.706 126 HG SER 113 HG SER 113 13.913 12.785 -5.597 127 H CYS 114 H CYS 114 12.674 15.097 -7.058 128 HA CYS 114 HA CYS 114 13.527 17.767 -7.388 129 HB2 CYS 114 2HB CYS 114 11.211 16.907 -6.701 130 HB3 CYS 114 3HB CYS 114 11.870 16.778 -5.074 131 H TYR 115 H TYR 115 15.551 18.284 -6.774 132 HA TYR 115 HA TYR 115 16.386 17.576 -4.042 133 HB2 TYR 115 2HB TYR 115 17.969 16.695 -5.562 134 HB3 TYR 115 3HB TYR 115 17.965 18.157 -6.542 135 HD1 TYR 115 HD2 TYR 115 19.048 16.743 -3.297 136 HD2 TYR 115 HD1 TYR 115 19.439 19.947 -6.068 137 HE1 TYR 115 HE2 TYR 115 20.995 17.577 -2.048 138 HE2 TYR 115 HE1 TYR 115 21.388 20.790 -4.828 139 HH TYR 115 HH TYR 115 22.455 19.256 -1.818 140 H CYS 116 H CYS 116 17.283 19.150 -2.694 141 HA CYS 116 HA CYS 116 16.902 21.938 -3.570 142 HB2 CYS 116 2HB CYS 116 16.280 20.783 -0.843 143 HB3 CYS 116 3HB CYS 116 16.163 22.485 -1.280 144 H ARG 117 H ARG 117 18.221 23.516 -2.449 145 HA ARG 117 HA ARG 117 20.729 22.352 -1.425 146 HB2 ARG 117 2HB ARG 117 21.603 24.711 -2.280 147 HB3 ARG 117 3HB ARG 117 21.491 23.321 -3.351 148 HG2 ARG 117 2HG ARG 117 20.606 25.233 -4.477 149 HG3 ARG 117 3HG ARG 117 19.273 24.140 -4.099 150 HD2 ARG 117 2HD ARG 117 18.342 25.574 -2.608 151 HD3 ARG 117 3HD ARG 117 19.899 26.214 -2.088 152 HE ARG 117 HE ARG 117 18.194 27.290 -4.100 153 HH11 ARG 117 1HH1 ARG 117 21.528 26.904 -3.174 154 HH12 ARG 117 2HH1 ARG 117 22.065 28.308 -4.036 155 HH21 ARG 117 1HH2 ARG 117 18.890 29.141 -5.238 156 HH22 ARG 117 2HH2 ARG 117 20.564 29.580 -5.208 157 H PHE 118 H PHE 118 21.986 24.546 -0.477 158 HA PHE 118 HA PHE 118 21.133 24.886 2.068 159 HB2 PHE 118 2HB PHE 118 22.717 26.640 0.241 160 HB3 PHE 118 3HB PHE 118 22.244 27.273 1.814 161 HD1 PHE 118 HD1 PHE 118 23.329 23.870 0.759 162 HD2 PHE 118 HD2 PHE 118 24.123 27.305 3.143 163 HE1 PHE 118 HE1 PHE 118 25.234 22.707 1.794 164 HE2 PHE 118 HE2 PHE 118 26.030 26.148 4.181 165 HZ PHE 118 HZ PHE 118 26.589 23.846 3.507 166 H PHE 119 H PHE 119 20.436 27.220 -0.539 167 HA PHE 119 HA PHE 119 18.801 28.950 0.816 168 HB2 PHE 119 2HB PHE 119 19.578 28.805 -1.730 169 HB3 PHE 119 3HB PHE 119 17.945 28.179 -1.932 170 HD1 PHE 119 HD1 PHE 119 19.485 30.923 0.080 171 HD2 PHE 119 HD2 PHE 119 16.495 29.762 -2.718 172 HE1 PHE 119 HE1 PHE 119 18.612 33.222 0.066 173 HE2 PHE 119 HE2 PHE 119 15.618 32.060 -2.737 174 HZ PHE 119 HZ PHE 119 16.676 33.794 -1.345 175 H ARG 120 H ARG 120 17.908 25.867 -0.673 176 HA ARG 120 HA ARG 120 16.128 24.486 -0.357 177 HB2 ARG 120 2HB ARG 120 16.619 25.582 2.138 178 HB3 ARG 120 3HB ARG 120 14.903 25.879 1.895 179 HG2 ARG 120 2HG ARG 120 16.139 23.173 1.496 180 HG3 ARG 120 3HG ARG 120 15.537 23.726 3.059 181 HD2 ARG 120 2HD ARG 120 13.941 23.490 0.511 182 HD3 ARG 120 3HD ARG 120 13.852 22.408 1.901 183 HE ARG 120 HE ARG 120 13.318 24.946 2.854 184 HH11 ARG 120 1HH1 ARG 120 11.927 22.732 0.555 185 HH12 ARG 120 2HH1 ARG 120 10.309 23.307 0.783 186 HH21 ARG 120 1HH2 ARG 120 11.192 25.712 3.164 187 HH22 ARG 120 2HH2 ARG 120 9.892 25.003 2.266 188 H SER 121 H SER 121 15.963 27.282 -1.652 189 HA SER 121 HA SER 121 13.020 27.380 -1.788 190 HB2 SER 121 2HB SER 121 14.507 29.809 -2.577 191 HB3 SER 121 3HB SER 121 13.012 29.650 -1.656 192 HG SER 121 HG SER 121 14.183 29.257 0.173 193 H ALA 122 H ALA 122 16.046 27.384 -3.508 194 HA ALA 122 HA ALA 122 14.631 27.533 -6.079 195 HB1 ALA 122 1HB ALA 122 16.523 28.367 -7.040 196 HB2 ALA 122 2HB ALA 122 16.756 28.946 -5.390 197 HB3 ALA 122 3HB ALA 122 17.599 27.500 -5.943 198 H CYS 123 H CYS 123 14.012 25.227 -5.082 199 HA CYS 123 HA CYS 123 15.965 23.169 -5.554 200 HB2 CYS 123 2HB CYS 123 12.985 22.845 -5.164 201 HB3 CYS 123 3HB CYS 123 14.228 21.620 -4.933 202 H TYR 124 H TYR 124 15.559 21.361 -7.054 203 HA TYR 124 HA TYR 124 13.831 21.765 -9.304 204 HB2 TYR 124 2HB TYR 124 15.936 21.665 -10.882 205 HB3 TYR 124 3HB TYR 124 15.355 23.207 -10.262 206 HD1 TYR 124 HD1 TYR 124 17.469 20.524 -8.742 207 HD2 TYR 124 HD2 TYR 124 17.162 24.603 -9.913 208 HE1 TYR 124 HE1 TYR 124 19.687 20.963 -7.773 209 HE2 TYR 124 HE2 TYR 124 19.379 25.052 -8.949 210 HH TYR 124 HH TYR 124 21.090 24.226 -7.801 211 H CYS 125 H CYS 125 14.435 20.080 -11.081 212 HA CYS 125 HA CYS 125 14.546 17.529 -9.761 213 HB2 CYS 125 2HB CYS 125 13.798 18.548 -12.400 214 HB3 CYS 125 3HB CYS 125 14.637 17.001 -12.468 215 H ARG 126 H ARG 126 16.656 17.462 -8.905 216 HA ARG 126 HA ARG 126 18.871 17.444 -10.814 217 HB2 ARG 126 2HB ARG 126 18.954 18.716 -8.605 218 HB3 ARG 126 3HB ARG 126 19.066 17.147 -7.821 219 HG2 ARG 126 2HG ARG 126 21.274 17.596 -7.988 220 HG3 ARG 126 3HG ARG 126 21.044 16.853 -9.572 221 HD2 ARG 126 2HD ARG 126 21.336 18.803 -10.675 222 HD3 ARG 126 3HD ARG 126 20.516 19.747 -9.431 223 HE ARG 126 HE ARG 126 22.877 18.995 -8.282 224 HH11 ARG 126 1HH1 ARG 126 21.973 20.695 -11.182 225 HH12 ARG 126 2HH1 ARG 126 23.407 21.666 -11.215 226 HH21 ARG 126 1HH2 ARG 126 24.769 20.268 -8.315 227 HH22 ARG 126 2HH2 ARG 126 24.997 21.422 -9.585 228 H VAL 127 H VAL 127 19.948 15.644 -11.389 229 HA VAL 127 HA VAL 127 18.815 13.090 -10.699 230 HB VAL 127 HB VAL 127 20.651 12.196 -12.186 231 HG11 VAL 127 1HG1 VAL 127 18.540 14.112 -13.051 232 HG12 VAL 127 2HG1 VAL 127 19.649 13.458 -14.257 233 HG13 VAL 127 3HG1 VAL 127 18.649 12.370 -13.295 234 HG21 VAL 127 3HG2 VAL 127 21.748 14.722 -11.765 235 HG22 VAL 127 1HG2 VAL 127 22.318 13.489 -12.890 236 HG23 VAL 127 2HG2 VAL 127 21.201 14.736 -13.443 237 H LEU 128 H LEU 128 19.257 12.371 -8.696 238 HA LEU 128 HA LEU 128 21.966 12.630 -7.632 239 HB2 LEU 128 2HB LEU 128 19.551 11.483 -6.252 240 HB3 LEU 128 3HB LEU 128 21.054 12.033 -5.514 241 HG LEU 128 HG LEU 128 19.649 14.126 -6.993 242 HD11 LEU 128 1HD1 LEU 128 18.145 14.177 -4.725 243 HD12 LEU 128 2HD1 LEU 128 18.180 12.454 -5.093 244 HD13 LEU 128 3HD1 LEU 128 17.589 13.599 -6.295 245 HD21 LEU 128 3HD2 LEU 128 19.946 15.015 -4.474 246 HD22 LEU 128 1HD2 LEU 128 21.236 15.047 -5.677 247 HD23 LEU 128 2HD2 LEU 128 21.168 13.742 -4.493 248 H SER 129 H SER 129 21.166 10.748 -9.815 249 HA SER 129 HA SER 129 21.642 8.164 -8.518 250 HB2 SER 129 2HB SER 129 20.562 8.985 -11.194 251 HB3 SER 129 3HB SER 129 21.238 7.371 -10.982 252 HG SER 129 HG SER 129 18.950 8.514 -9.845 253 H LEU 130 H LEU 130 23.096 10.496 -10.659 254 HA LEU 130 HA LEU 130 25.167 10.677 -11.577 255 HB2 LEU 130 2HB LEU 130 25.997 8.603 -9.559 256 HB3 LEU 130 3HB LEU 130 27.019 9.805 -10.344 257 HG LEU 130 HG LEU 130 24.770 10.750 -8.632 258 HD11 LEU 130 1HD1 LEU 130 25.697 10.211 -6.646 259 HD12 LEU 130 2HD1 LEU 130 27.345 10.275 -7.270 260 HD13 LEU 130 3HD1 LEU 130 26.344 8.854 -7.570 261 HD21 LEU 130 3HD2 LEU 130 27.367 11.739 -9.659 262 HD22 LEU 130 1HD2 LEU 130 26.859 12.306 -8.068 263 HD23 LEU 130 2HD2 LEU 130 25.826 12.576 -9.472 264 H ASN 131 H ASN 131 23.283 8.555 -12.490 265 HA ASN 131 HA ASN 131 25.234 7.045 -14.062 266 HB2 ASN 131 2HB ASN 131 23.144 5.896 -12.262 267 HB3 ASN 131 3HB ASN 131 23.492 5.070 -13.778 268 HD21 ASN 131 1HD2 ASN 131 23.937 3.767 -11.468 269 HD22 ASN 131 2HD2 ASN 131 25.632 3.610 -11.174 270 H CYS 132 H CYS 132 23.312 9.309 -14.471 271 HA CYS 132 HA CYS 132 22.016 8.199 -16.853 272 HB2 CYS 132 2HB CYS 132 20.648 9.157 -14.512 273 HB3 CYS 132 3HB CYS 132 20.287 10.208 -15.878 Start of MODEL 17 1 H CYS 93 H CYS 93 9.129 21.051 -20.774 2 HA CYS 93 HA CYS 93 7.977 20.868 -18.193 3 HB2 CYS 93 2HB CYS 93 8.968 18.573 -17.674 4 HB3 CYS 93 3HB CYS 93 7.487 18.597 -18.625 5 H VAL 94 H VAL 94 9.759 20.267 -16.530 6 HA VAL 94 HA VAL 94 11.992 21.981 -17.064 7 HB VAL 94 HB VAL 94 11.008 20.451 -14.709 8 HG11 VAL 94 1HG1 VAL 94 13.244 19.738 -14.583 9 HG12 VAL 94 2HG1 VAL 94 13.862 21.305 -15.111 10 HG13 VAL 94 3HG1 VAL 94 13.147 21.131 -13.508 11 HG21 VAL 94 3HG2 VAL 94 11.935 23.279 -15.193 12 HG22 VAL 94 1HG2 VAL 94 10.277 22.717 -14.974 13 HG23 VAL 94 2HG2 VAL 94 11.413 22.663 -13.625 14 H ALA 95 H ALA 95 13.766 21.391 -18.107 15 HA ALA 95 HA ALA 95 14.399 18.765 -18.845 16 HB1 ALA 95 1HB ALA 95 15.449 20.196 -20.246 17 HB2 ALA 95 2HB ALA 95 15.753 21.387 -18.981 18 HB3 ALA 95 3HB ALA 95 16.781 19.960 -19.113 19 H THR 96 H THR 96 16.406 20.803 -16.717 20 HA THR 96 HA THR 96 16.573 18.786 -14.686 21 HB THR 96 HB THR 96 19.176 19.377 -16.076 22 HG1 THR 96 HG1 THR 96 18.886 17.640 -17.358 23 HG21 THR 96 3HG2 THR 96 19.945 17.414 -14.887 24 HG22 THR 96 1HG2 THR 96 18.319 17.105 -14.280 25 HG23 THR 96 2HG2 THR 96 19.204 18.533 -13.744 26 H ARG 97 H ARG 97 17.568 19.524 -12.790 27 HA ARG 97 HA ARG 97 17.804 21.214 -11.242 28 HB2 ARG 97 2HB ARG 97 19.949 22.303 -11.427 29 HB3 ARG 97 3HB ARG 97 20.102 20.649 -12.002 30 HG2 ARG 97 2HG ARG 97 19.512 22.725 -14.025 31 HG3 ARG 97 3HG ARG 97 21.123 22.728 -13.304 32 HD2 ARG 97 2HD ARG 97 20.497 20.045 -13.910 33 HD3 ARG 97 3HD ARG 97 20.046 21.005 -15.318 34 HE ARG 97 HE ARG 97 22.567 21.855 -14.546 35 HH11 ARG 97 1HH1 ARG 97 21.071 18.921 -15.676 36 HH12 ARG 97 2HH1 ARG 97 22.508 18.330 -16.444 37 HH21 ARG 97 1HH2 ARG 97 24.464 21.088 -15.552 38 HH22 ARG 97 2HH2 ARG 97 24.437 19.563 -16.372 39 H ASN 98 H ASN 98 15.764 21.908 -12.980 40 HA ASN 98 HA ASN 98 16.238 24.747 -13.571 41 HB2 ASN 98 2HB ASN 98 15.287 23.030 -15.302 42 HB3 ASN 98 3HB ASN 98 13.776 23.265 -14.430 43 HD21 ASN 98 1HD2 ASN 98 14.238 23.929 -17.135 44 HD22 ASN 98 2HD2 ASN 98 14.067 25.641 -17.296 45 H SER 99 H SER 99 13.415 22.815 -12.561 46 HA SER 99 HA SER 99 13.055 24.477 -10.213 47 HB2 SER 99 2HB SER 99 11.807 25.911 -11.534 48 HB3 SER 99 3HB SER 99 11.274 24.621 -12.614 49 HG SER 99 HG SER 99 9.559 24.456 -11.432 50 H CYS 100 H CYS 100 11.788 23.526 -8.635 51 HA CYS 100 HA CYS 100 11.179 20.701 -9.096 52 HB2 CYS 100 2HB CYS 100 12.135 22.263 -6.836 53 HB3 CYS 100 3HB CYS 100 10.772 21.240 -6.396 54 H LYS 101 H LYS 101 9.334 20.212 -7.139 55 HA LYS 101 HA LYS 101 7.099 20.197 -6.721 56 HB2 LYS 101 2HB LYS 101 7.643 23.086 -7.243 57 HB3 LYS 101 3HB LYS 101 5.968 22.556 -7.151 58 HG2 LYS 101 2HG LYS 101 6.395 23.183 -4.981 59 HG3 LYS 101 3HG LYS 101 6.711 21.447 -4.925 60 HD2 LYS 101 2HD LYS 101 9.140 22.575 -5.672 61 HD3 LYS 101 3HD LYS 101 8.502 23.673 -4.445 62 HE2 LYS 101 2HE LYS 101 9.884 21.911 -3.455 63 HE3 LYS 101 3HE LYS 101 8.211 21.812 -2.906 64 HZ1 LYS 101 3HZ LYS 101 8.011 19.785 -3.758 65 HZ2 LYS 101 1HZ LYS 101 9.686 19.781 -3.993 66 HZ3 LYS 101 2HZ LYS 101 8.657 20.249 -5.251 67 HA PRO 102 HA PRO 102 6.260 19.594 -11.224 68 HB2 PRO 102 2HB PRO 102 5.355 17.049 -10.937 69 HB3 PRO 102 3HB PRO 102 7.068 17.446 -11.124 70 HG2 PRO 102 2HG PRO 102 5.524 16.841 -8.631 71 HG3 PRO 102 3HG PRO 102 7.138 16.283 -9.111 72 HD2 PRO 102 2HD PRO 102 6.759 18.316 -7.363 73 HD3 PRO 102 3HD PRO 102 8.148 18.251 -8.467 74 H ALA 103 H ALA 103 4.595 21.251 -10.296 75 HA ALA 103 HA ALA 103 1.979 19.966 -9.920 76 HB1 ALA 103 1HB ALA 103 3.066 22.651 -9.175 77 HB2 ALA 103 2HB ALA 103 1.325 22.402 -9.326 78 HB3 ALA 103 3HB ALA 103 2.255 21.453 -8.167 79 H ALA 104 H ALA 104 3.636 22.458 -11.820 80 HA ALA 104 HA ALA 104 1.328 22.781 -13.557 81 HB1 ALA 104 1HB ALA 104 4.053 24.059 -13.755 82 HB2 ALA 104 2HB ALA 104 2.595 24.535 -14.627 83 HB3 ALA 104 3HB ALA 104 2.680 24.733 -12.877 84 H ALA 105 H ALA 105 3.526 20.450 -13.316 85 HA ALA 105 HA ALA 105 4.019 18.728 -14.755 86 HB1 ALA 105 1HB ALA 105 1.952 19.807 -16.046 87 HB2 ALA 105 2HB ALA 105 3.227 20.195 -17.202 88 HB3 ALA 105 3HB ALA 105 2.937 18.518 -16.737 89 H ALA 106 H ALA 106 6.030 20.194 -13.921 90 HA ALA 106 HA ALA 106 7.755 20.405 -16.277 91 HB1 ALA 106 1HB ALA 106 8.051 22.478 -14.155 92 HB2 ALA 106 2HB ALA 106 8.509 22.534 -15.858 93 HB3 ALA 106 3HB ALA 106 6.814 22.682 -15.394 94 H CYS 107 H CYS 107 8.666 18.428 -15.607 95 HA CYS 107 HA CYS 107 10.952 18.598 -14.028 96 HB2 CYS 107 2HB CYS 107 8.734 18.489 -12.394 97 HB3 CYS 107 3HB CYS 107 9.233 16.803 -12.477 98 H CYS 108 H CYS 108 10.424 17.564 -16.494 99 HA CYS 108 HA CYS 108 9.851 14.847 -16.672 100 HB2 CYS 108 2HB CYS 108 11.400 16.776 -18.343 101 HB3 CYS 108 3HB CYS 108 11.549 15.058 -18.701 102 H ASP 109 H ASP 109 11.798 13.388 -17.688 103 HA ASP 109 HA ASP 109 13.632 12.115 -17.235 104 HB2 ASP 109 2HB ASP 109 14.635 14.370 -15.498 105 HB3 ASP 109 3HB ASP 109 15.582 13.129 -16.316 106 HA PRO 110 HA PRO 110 11.692 10.833 -13.274 107 HB2 PRO 110 2HB PRO 110 11.493 8.219 -13.978 108 HB3 PRO 110 3HB PRO 110 10.283 9.428 -14.425 109 HG2 PRO 110 2HG PRO 110 12.527 8.301 -16.055 110 HG3 PRO 110 3HG PRO 110 10.850 8.624 -16.531 111 HD2 PRO 110 2HD PRO 110 12.888 10.293 -17.157 112 HD3 PRO 110 3HD PRO 110 11.239 10.874 -16.847 113 H CYS 111 H CYS 111 14.611 10.259 -14.862 114 HA CYS 111 HA CYS 111 15.655 8.328 -12.981 115 HB2 CYS 111 2HB CYS 111 16.447 9.420 -15.540 116 HB3 CYS 111 3HB CYS 111 17.791 9.460 -14.402 117 H ALA 112 H ALA 112 15.176 11.644 -12.989 118 HA ALA 112 HA ALA 112 17.455 12.192 -11.233 119 HB1 ALA 112 1HB ALA 112 15.482 14.270 -12.085 120 HB2 ALA 112 2HB ALA 112 17.196 14.440 -11.702 121 HB3 ALA 112 3HB ALA 112 16.701 13.688 -13.220 122 H SER 113 H SER 113 16.537 14.169 -9.637 123 HA SER 113 HA SER 113 14.101 13.347 -8.310 124 HB2 SER 113 2HB SER 113 15.886 11.814 -7.416 125 HB3 SER 113 3HB SER 113 16.706 13.238 -6.776 126 HG SER 113 HG SER 113 15.203 12.055 -5.330 127 H CYS 114 H CYS 114 13.442 14.826 -6.634 128 HA CYS 114 HA CYS 114 14.073 17.530 -7.269 129 HB2 CYS 114 2HB CYS 114 11.829 16.706 -6.488 130 HB3 CYS 114 3HB CYS 114 12.521 16.519 -4.880 131 H TYR 115 H TYR 115 16.043 18.274 -6.753 132 HA TYR 115 HA TYR 115 17.075 17.740 -4.051 133 HB2 TYR 115 2HB TYR 115 18.704 17.012 -5.567 134 HB3 TYR 115 3HB TYR 115 18.422 18.358 -6.664 135 HD1 TYR 115 HD1 TYR 115 19.893 17.438 -3.392 136 HD2 TYR 115 HD2 TYR 115 19.657 20.365 -6.471 137 HE1 TYR 115 HE1 TYR 115 21.775 18.651 -2.375 138 HE2 TYR 115 HE2 TYR 115 21.539 21.585 -5.464 139 HH TYR 115 HH TYR 115 22.656 21.818 -3.337 140 H CYS 116 H CYS 116 17.820 19.419 -2.759 141 HA CYS 116 HA CYS 116 17.094 22.132 -3.654 142 HB2 CYS 116 2HB CYS 116 16.842 21.055 -0.839 143 HB3 CYS 116 3HB CYS 116 16.363 22.654 -1.398 144 H ARG 117 H ARG 117 18.294 23.873 -2.650 145 HA ARG 117 HA ARG 117 20.993 23.024 -1.823 146 HB2 ARG 117 2HB ARG 117 21.477 25.499 -2.672 147 HB3 ARG 117 3HB ARG 117 21.473 24.123 -3.766 148 HG2 ARG 117 2HG ARG 117 20.255 25.923 -4.770 149 HG3 ARG 117 3HG ARG 117 19.123 24.638 -4.341 150 HD2 ARG 117 2HD ARG 117 18.099 25.888 -2.749 151 HD3 ARG 117 3HD ARG 117 19.583 26.731 -2.304 152 HE ARG 117 HE ARG 117 17.605 27.626 -4.133 153 HH11 ARG 117 1HH1 ARG 117 21.038 27.618 -3.557 154 HH12 ARG 117 2HH1 ARG 117 21.319 29.089 -4.430 155 HH21 ARG 117 1HH2 ARG 117 17.962 29.561 -5.286 156 HH22 ARG 117 2HH2 ARG 117 19.569 30.193 -5.412 157 H PHE 118 H PHE 118 22.041 25.326 -0.900 158 HA PHE 118 HA PHE 118 21.366 25.509 1.709 159 HB2 PHE 118 2HB PHE 118 22.357 27.712 -0.104 160 HB3 PHE 118 3HB PHE 118 22.272 27.871 1.647 161 HD1 PHE 118 HD2 PHE 118 23.431 25.870 2.957 162 HD2 PHE 118 HD1 PHE 118 24.350 27.062 -1.024 163 HE1 PHE 118 HE2 PHE 118 25.648 24.825 3.160 164 HE2 PHE 118 HE1 PHE 118 26.570 26.017 -0.827 165 HZ PHE 118 HZ PHE 118 27.222 24.898 1.267 166 H PHE 119 H PHE 119 20.125 27.744 -0.779 167 HA PHE 119 HA PHE 119 18.410 29.235 0.753 168 HB2 PHE 119 2HB PHE 119 18.946 29.121 -1.892 169 HB3 PHE 119 3HB PHE 119 17.336 28.409 -1.881 170 HD1 PHE 119 HD2 PHE 119 19.036 31.269 -0.181 171 HD2 PHE 119 HD1 PHE 119 15.658 29.880 -2.365 172 HE1 PHE 119 HE2 PHE 119 18.048 33.519 -0.074 173 HE2 PHE 119 HE1 PHE 119 14.664 32.128 -2.263 174 HZ PHE 119 HZ PHE 119 15.859 33.952 -1.115 175 H ARG 120 H ARG 120 17.730 26.115 -0.795 176 HA ARG 120 HA ARG 120 16.161 24.521 -0.378 177 HB2 ARG 120 2HB ARG 120 16.598 25.823 2.190 178 HB3 ARG 120 3HB ARG 120 14.974 25.163 2.047 179 HG2 ARG 120 2HG ARG 120 17.247 23.436 1.242 180 HG3 ARG 120 3HG ARG 120 16.991 23.731 2.963 181 HD2 ARG 120 2HD ARG 120 14.495 23.148 2.329 182 HD3 ARG 120 3HD ARG 120 15.279 22.295 1.000 183 HE ARG 120 HE ARG 120 16.387 21.702 3.589 184 HH11 ARG 120 1HH1 ARG 120 13.948 20.874 1.246 185 HH12 ARG 120 2HH1 ARG 120 13.752 19.254 1.829 186 HH21 ARG 120 1HH2 ARG 120 16.138 19.572 4.366 187 HH22 ARG 120 2HH2 ARG 120 14.998 18.515 3.604 188 H SER 121 H SER 121 15.508 27.373 -1.370 189 HA SER 121 HA SER 121 12.584 27.124 -1.093 190 HB2 SER 121 2HB SER 121 12.587 29.220 -0.295 191 HB3 SER 121 3HB SER 121 14.313 29.389 -0.610 192 HG SER 121 HG SER 121 13.143 30.905 -1.813 193 H ALA 122 H ALA 122 15.222 27.034 -3.176 194 HA ALA 122 HA ALA 122 13.439 27.281 -5.508 195 HB1 ALA 122 1HB ALA 122 14.698 29.158 -5.849 196 HB2 ALA 122 2HB ALA 122 16.120 28.488 -5.048 197 HB3 ALA 122 3HB ALA 122 15.698 27.964 -6.677 198 H CYS 123 H CYS 123 13.517 24.866 -4.584 199 HA CYS 123 HA CYS 123 15.759 23.286 -5.339 200 HB2 CYS 123 2HB CYS 123 12.925 22.313 -4.968 201 HB3 CYS 123 3HB CYS 123 14.413 21.390 -4.777 202 H TYR 124 H TYR 124 15.683 21.552 -6.970 203 HA TYR 124 HA TYR 124 13.874 21.911 -9.201 204 HB2 TYR 124 2HB TYR 124 16.083 21.971 -10.693 205 HB3 TYR 124 3HB TYR 124 15.306 23.441 -10.118 206 HD1 TYR 124 HD1 TYR 124 17.909 20.976 -9.062 207 HD2 TYR 124 HD2 TYR 124 16.603 25.025 -9.045 208 HE1 TYR 124 HE1 TYR 124 20.000 21.639 -7.952 209 HE2 TYR 124 HE2 TYR 124 18.692 25.700 -7.935 210 HH TYR 124 HH TYR 124 21.249 24.444 -7.905 211 H CYS 125 H CYS 125 14.183 20.255 -10.875 212 HA CYS 125 HA CYS 125 14.617 17.700 -9.708 213 HB2 CYS 125 2HB CYS 125 13.714 18.755 -12.307 214 HB3 CYS 125 3HB CYS 125 14.518 17.190 -12.384 215 H ARG 126 H ARG 126 16.754 17.589 -9.015 216 HA ARG 126 HA ARG 126 18.827 17.730 -11.091 217 HB2 ARG 126 2HB ARG 126 18.966 19.031 -8.856 218 HB3 ARG 126 3HB ARG 126 19.360 17.471 -8.145 219 HG2 ARG 126 2HG ARG 126 21.333 17.278 -9.457 220 HG3 ARG 126 3HG ARG 126 20.884 18.671 -10.442 221 HD2 ARG 126 2HD ARG 126 22.324 19.714 -9.031 222 HD3 ARG 126 3HD ARG 126 20.863 19.843 -8.050 223 HE ARG 126 HE ARG 126 21.906 17.506 -7.226 224 HH11 ARG 126 1HH1 ARG 126 23.286 20.676 -7.638 225 HH12 ARG 126 2HH1 ARG 126 24.449 20.478 -6.368 226 HH21 ARG 126 1HH2 ARG 126 23.433 17.233 -5.553 227 HH22 ARG 126 2HH2 ARG 126 24.532 18.518 -5.185 228 H VAL 127 H VAL 127 19.939 15.969 -11.715 229 HA VAL 127 HA VAL 127 18.984 13.384 -10.944 230 HB VAL 127 HB VAL 127 20.863 12.566 -12.438 231 HG11 VAL 127 1HG1 VAL 127 18.772 14.469 -13.475 232 HG12 VAL 127 2HG1 VAL 127 19.752 13.437 -14.520 233 HG13 VAL 127 3HG1 VAL 127 18.666 12.715 -13.331 234 HG21 VAL 127 3HG2 VAL 127 21.195 15.160 -13.705 235 HG22 VAL 127 1HG2 VAL 127 21.842 15.120 -12.065 236 HG23 VAL 127 2HG2 VAL 127 22.404 13.955 -13.264 237 H LEU 128 H LEU 128 19.454 12.949 -8.825 238 HA LEU 128 HA LEU 128 22.208 13.205 -7.895 239 HB2 LEU 128 2HB LEU 128 19.570 12.724 -6.585 240 HB3 LEU 128 3HB LEU 128 21.049 12.255 -5.749 241 HG LEU 128 HG LEU 128 20.207 14.455 -5.038 242 HD11 LEU 128 1HD1 LEU 128 22.285 15.316 -4.782 243 HD12 LEU 128 2HD1 LEU 128 22.700 15.121 -6.485 244 HD13 LEU 128 3HD1 LEU 128 22.746 13.731 -5.401 245 HD21 LEU 128 3HD2 LEU 128 19.173 15.199 -7.089 246 HD22 LEU 128 1HD2 LEU 128 20.735 15.223 -7.906 247 HD23 LEU 128 2HD2 LEU 128 20.408 16.360 -6.598 248 H SER 129 H SER 129 21.283 11.175 -9.895 249 HA SER 129 HA SER 129 21.834 8.700 -8.415 250 HB2 SER 129 2HB SER 129 19.801 8.827 -9.895 251 HB3 SER 129 3HB SER 129 20.889 8.968 -11.276 252 HG SER 129 HG SER 129 20.443 6.826 -11.081 253 H LEU 130 H LEU 130 22.779 10.378 -11.410 254 HA LEU 130 HA LEU 130 24.719 10.405 -12.594 255 HB2 LEU 130 2HB LEU 130 26.000 9.313 -10.097 256 HB3 LEU 130 3HB LEU 130 26.795 10.170 -11.414 257 HG LEU 130 HG LEU 130 24.687 11.499 -9.741 258 HD11 LEU 130 1HD1 LEU 130 26.873 10.451 -8.562 259 HD12 LEU 130 2HD1 LEU 130 26.085 11.938 -8.035 260 HD13 LEU 130 3HD1 LEU 130 27.507 12.015 -9.077 261 HD21 LEU 130 3HD2 LEU 130 26.734 12.306 -11.731 262 HD22 LEU 130 1HD2 LEU 130 26.392 13.419 -10.406 263 HD23 LEU 130 2HD2 LEU 130 25.094 12.906 -11.483 264 H ASN 131 H ASN 131 23.029 7.972 -12.437 265 HA ASN 131 HA ASN 131 24.982 6.130 -13.602 266 HB2 ASN 131 2HB ASN 131 23.243 5.600 -11.240 267 HB3 ASN 131 3HB ASN 131 23.459 4.296 -12.405 268 HD21 ASN 131 1HD2 ASN 131 25.264 3.122 -12.334 269 HD22 ASN 131 2HD2 ASN 131 26.625 3.455 -11.324 270 H CYS 132 H CYS 132 22.800 7.946 -14.555 271 HA CYS 132 HA CYS 132 21.144 5.924 -15.917 272 HB2 CYS 132 2HB CYS 132 19.969 7.572 -14.367 273 HB3 CYS 132 3HB CYS 132 20.389 8.820 -15.536 Start of MODEL 18 1 H CYS 93 H CYS 93 9.626 20.468 -20.802 2 HA CYS 93 HA CYS 93 8.368 20.685 -18.265 3 HB2 CYS 93 2HB CYS 93 9.324 18.484 -17.387 4 HB3 CYS 93 3HB CYS 93 7.876 18.378 -18.382 5 H VAL 94 H VAL 94 10.182 20.056 -16.498 6 HA VAL 94 HA VAL 94 12.374 21.815 -17.090 7 HB VAL 94 HB VAL 94 11.426 20.354 -14.671 8 HG11 VAL 94 1HG1 VAL 94 13.711 19.759 -14.548 9 HG12 VAL 94 2HG1 VAL 94 14.233 21.357 -15.081 10 HG13 VAL 94 3HG1 VAL 94 13.512 21.150 -13.484 11 HG21 VAL 94 3HG2 VAL 94 11.685 23.099 -15.627 12 HG22 VAL 94 1HG2 VAL 94 10.601 22.417 -14.414 13 HG23 VAL 94 2HG2 VAL 94 12.243 22.880 -13.967 14 H ALA 95 H ALA 95 14.198 21.230 -18.045 15 HA ALA 95 HA ALA 95 14.877 18.586 -18.691 16 HB1 ALA 95 1HB ALA 95 17.246 19.819 -18.950 17 HB2 ALA 95 2HB ALA 95 15.939 19.973 -20.124 18 HB3 ALA 95 3HB ALA 95 16.182 21.225 -18.907 19 H THR 96 H THR 96 16.851 20.719 -16.631 20 HA THR 96 HA THR 96 16.997 18.796 -14.507 21 HB THR 96 HB THR 96 19.629 19.331 -15.856 22 HG1 THR 96 HG1 THR 96 18.222 16.917 -16.260 23 HG21 THR 96 3HG2 THR 96 20.429 17.553 -14.544 24 HG22 THR 96 1HG2 THR 96 18.804 16.957 -14.206 25 HG23 THR 96 2HG2 THR 96 19.366 18.453 -13.461 26 H ARG 97 H ARG 97 17.930 19.632 -12.633 27 HA ARG 97 HA ARG 97 18.158 21.390 -11.164 28 HB2 ARG 97 2HB ARG 97 20.310 22.448 -11.348 29 HB3 ARG 97 3HB ARG 97 20.466 20.778 -11.875 30 HG2 ARG 97 2HG ARG 97 19.906 22.780 -13.974 31 HG3 ARG 97 3HG ARG 97 21.501 22.834 -13.218 32 HD2 ARG 97 2HD ARG 97 22.110 20.787 -14.035 33 HD3 ARG 97 3HD ARG 97 20.451 20.193 -14.084 34 HE ARG 97 HE ARG 97 20.444 22.088 -15.992 35 HH11 ARG 97 1HH1 ARG 97 22.574 19.413 -15.341 36 HH12 ARG 97 2HH1 ARG 97 22.993 19.172 -17.005 37 HH21 ARG 97 1HH2 ARG 97 20.988 21.781 -18.186 38 HH22 ARG 97 2HH2 ARG 97 22.091 20.520 -18.622 39 H ASN 98 H ASN 98 16.165 21.996 -13.017 40 HA ASN 98 HA ASN 98 16.650 24.820 -13.675 41 HB2 ASN 98 2HB ASN 98 15.799 23.026 -15.395 42 HB3 ASN 98 3HB ASN 98 14.241 23.310 -14.623 43 HD21 ASN 98 1HD2 ASN 98 14.554 23.855 -17.258 44 HD22 ASN 98 2HD2 ASN 98 14.536 25.563 -17.520 45 H SER 99 H SER 99 13.971 22.756 -12.531 46 HA SER 99 HA SER 99 13.439 24.358 -10.260 47 HB2 SER 99 2HB SER 99 12.159 25.146 -12.765 48 HB3 SER 99 3HB SER 99 10.993 24.806 -11.485 49 HG SER 99 HG SER 99 11.538 26.901 -11.200 50 H CYS 100 H CYS 100 12.030 23.363 -8.866 51 HA CYS 100 HA CYS 100 11.265 20.655 -9.573 52 HB2 CYS 100 2HB CYS 100 11.619 22.194 -7.066 53 HB3 CYS 100 3HB CYS 100 10.399 20.924 -7.031 54 H LYS 101 H LYS 101 9.398 22.677 -7.399 55 HA LYS 101 HA LYS 101 7.060 22.617 -7.235 56 HB2 LYS 101 2HB LYS 101 6.542 24.123 -9.557 57 HB3 LYS 101 3HB LYS 101 6.799 24.722 -7.925 58 HG2 LYS 101 2HG LYS 101 9.104 24.133 -9.744 59 HG3 LYS 101 3HG LYS 101 8.245 25.674 -9.808 60 HD2 LYS 101 2HD LYS 101 8.919 26.283 -7.672 61 HD3 LYS 101 3HD LYS 101 9.249 24.617 -7.194 62 HE2 LYS 101 2HE LYS 101 11.393 25.037 -7.622 63 HE3 LYS 101 3HE LYS 101 10.958 25.064 -9.331 64 HZ1 LYS 101 3HZ LYS 101 11.300 27.343 -7.485 65 HZ2 LYS 101 1HZ LYS 101 10.403 27.503 -8.911 66 HZ3 LYS 101 2HZ LYS 101 12.038 27.075 -8.984 67 HA PRO 102 HA PRO 102 6.389 19.382 -10.560 68 HB2 PRO 102 2HB PRO 102 5.742 17.371 -8.856 69 HB3 PRO 102 3HB PRO 102 7.404 17.712 -9.353 70 HG2 PRO 102 2HG PRO 102 5.982 18.488 -6.836 71 HG3 PRO 102 3HG PRO 102 7.630 17.869 -7.044 72 HD2 PRO 102 2HD PRO 102 7.097 20.499 -6.681 73 HD3 PRO 102 3HD PRO 102 8.459 19.928 -7.665 74 H ALA 103 H ALA 103 4.583 21.074 -10.697 75 HA ALA 103 HA ALA 103 2.080 19.744 -9.988 76 HB1 ALA 103 1HB ALA 103 2.865 22.502 -9.130 77 HB2 ALA 103 2HB ALA 103 1.171 22.089 -9.394 78 HB3 ALA 103 3HB ALA 103 2.116 21.211 -8.192 79 H ALA 104 H ALA 104 3.644 22.419 -11.713 80 HA ALA 104 HA ALA 104 1.449 22.621 -13.596 81 HB1 ALA 104 1HB ALA 104 2.654 24.629 -12.819 82 HB2 ALA 104 2HB ALA 104 4.111 24.036 -13.618 83 HB3 ALA 104 3HB ALA 104 2.687 24.449 -14.573 84 H ALA 105 H ALA 105 3.739 20.397 -13.249 85 HA ALA 105 HA ALA 105 4.402 18.720 -14.673 86 HB1 ALA 105 1HB ALA 105 3.660 20.208 -17.132 87 HB2 ALA 105 2HB ALA 105 3.483 18.496 -16.744 88 HB3 ALA 105 3HB ALA 105 2.360 19.674 -16.066 89 H ALA 106 H ALA 106 6.308 20.202 -13.710 90 HA ALA 106 HA ALA 106 8.119 20.620 -15.977 91 HB1 ALA 106 1HB ALA 106 8.798 22.726 -15.355 92 HB2 ALA 106 2HB ALA 106 7.082 22.791 -14.953 93 HB3 ALA 106 3HB ALA 106 8.275 22.520 -13.683 94 H CYS 107 H CYS 107 8.452 18.346 -14.935 95 HA CYS 107 HA CYS 107 10.958 18.380 -13.641 96 HB2 CYS 107 2HB CYS 107 8.897 18.747 -11.847 97 HB3 CYS 107 3HB CYS 107 9.164 17.008 -11.776 98 H CYS 108 H CYS 108 9.701 17.175 -15.914 99 HA CYS 108 HA CYS 108 9.031 14.480 -15.535 100 HB2 CYS 108 2HB CYS 108 9.478 14.207 -17.920 101 HB3 CYS 108 3HB CYS 108 8.602 15.706 -17.627 102 H ASP 109 H ASP 109 10.668 12.969 -17.129 103 HA ASP 109 HA ASP 109 12.598 11.758 -17.178 104 HB2 ASP 109 2HB ASP 109 14.029 13.843 -15.566 105 HB3 ASP 109 3HB ASP 109 14.652 12.810 -16.850 106 HA PRO 110 HA PRO 110 11.707 10.067 -13.065 107 HB2 PRO 110 2HB PRO 110 12.031 7.483 -13.830 108 HB3 PRO 110 3HB PRO 110 10.534 8.384 -14.100 109 HG2 PRO 110 2HG PRO 110 12.774 7.817 -16.004 110 HG3 PRO 110 3HG PRO 110 11.023 7.748 -16.283 111 HD2 PRO 110 2HD PRO 110 12.543 9.847 -17.071 112 HD3 PRO 110 3HD PRO 110 10.851 10.030 -16.563 113 H CYS 111 H CYS 111 14.478 10.199 -14.977 114 HA CYS 111 HA CYS 111 16.138 8.560 -13.258 115 HB2 CYS 111 2HB CYS 111 16.445 9.944 -15.845 116 HB3 CYS 111 3HB CYS 111 17.893 9.911 -14.844 117 H ALA 112 H ALA 112 14.952 11.697 -13.212 118 HA ALA 112 HA ALA 112 17.227 12.704 -11.647 119 HB1 ALA 112 1HB ALA 112 14.932 14.419 -12.498 120 HB2 ALA 112 2HB ALA 112 16.615 14.860 -12.203 121 HB3 ALA 112 3HB ALA 112 16.179 13.970 -13.662 122 H SER 113 H SER 113 16.486 14.282 -9.852 123 HA SER 113 HA SER 113 14.056 13.414 -8.499 124 HB2 SER 113 2HB SER 113 16.202 12.013 -7.843 125 HB3 SER 113 3HB SER 113 16.552 13.428 -6.850 126 HG SER 113 HG SER 113 14.477 13.152 -5.897 127 H CYS 114 H CYS 114 13.238 14.908 -7.052 128 HA CYS 114 HA CYS 114 13.972 17.607 -7.468 129 HB2 CYS 114 2HB CYS 114 11.671 16.772 -6.872 130 HB3 CYS 114 3HB CYS 114 12.255 16.526 -5.229 131 H TYR 115 H TYR 115 15.969 18.205 -6.819 132 HA TYR 115 HA TYR 115 16.749 17.626 -4.041 133 HB2 TYR 115 2HB TYR 115 18.481 16.804 -5.348 134 HB3 TYR 115 3HB TYR 115 18.313 18.074 -6.555 135 HD1 TYR 115 HD2 TYR 115 19.653 17.258 -3.221 136 HD2 TYR 115 HD1 TYR 115 19.481 20.153 -6.334 137 HE1 TYR 115 HE2 TYR 115 21.501 18.493 -2.168 138 HE2 TYR 115 HE1 TYR 115 21.329 21.395 -5.291 139 HH TYR 115 HH TYR 115 23.395 20.421 -3.457 140 H CYS 116 H CYS 116 17.328 19.255 -2.658 141 HA CYS 116 HA CYS 116 16.839 21.999 -3.618 142 HB2 CYS 116 2HB CYS 116 16.462 20.967 -0.801 143 HB3 CYS 116 3HB CYS 116 16.022 22.559 -1.412 144 H ARG 117 H ARG 117 18.040 23.703 -2.515 145 HA ARG 117 HA ARG 117 20.690 22.766 -1.631 146 HB2 ARG 117 2HB ARG 117 21.267 25.240 -2.417 147 HB3 ARG 117 3HB ARG 117 21.256 23.886 -3.538 148 HG2 ARG 117 2HG ARG 117 20.121 25.751 -4.531 149 HG3 ARG 117 3HG ARG 117 18.948 24.479 -4.180 150 HD2 ARG 117 2HD ARG 117 17.912 25.693 -2.557 151 HD3 ARG 117 3HD ARG 117 19.392 26.530 -2.088 152 HE ARG 117 HE ARG 117 17.438 27.434 -3.946 153 HH11 ARG 117 1HH1 ARG 117 20.853 27.454 -3.273 154 HH12 ARG 117 2HH1 ARG 117 21.143 28.940 -4.115 155 HH21 ARG 117 1HH2 ARG 117 17.806 29.391 -5.057 156 HH22 ARG 117 2HH2 ARG 117 19.408 30.042 -5.129 157 H PHE 118 H PHE 118 21.771 25.021 -0.634 158 HA PHE 118 HA PHE 118 21.021 25.173 1.958 159 HB2 PHE 118 2HB PHE 118 22.144 27.366 0.211 160 HB3 PHE 118 3HB PHE 118 21.985 27.522 1.958 161 HD1 PHE 118 HD1 PHE 118 23.134 25.720 3.393 162 HD2 PHE 118 HD2 PHE 118 24.047 26.422 -0.705 163 HE1 PHE 118 HE1 PHE 118 25.310 24.611 3.691 164 HE2 PHE 118 HE2 PHE 118 26.224 25.314 -0.413 165 HZ PHE 118 HZ PHE 118 26.857 24.404 1.786 166 H PHE 119 H PHE 119 19.928 27.495 -0.521 167 HA PHE 119 HA PHE 119 18.208 29.007 0.986 168 HB2 PHE 119 2HB PHE 119 18.834 28.987 -1.615 169 HB3 PHE 119 3HB PHE 119 17.247 28.233 -1.720 170 HD1 PHE 119 HD1 PHE 119 18.688 31.037 0.283 171 HD2 PHE 119 HD2 PHE 119 15.636 29.719 -2.376 172 HE1 PHE 119 HE1 PHE 119 17.631 33.256 0.399 173 HE2 PHE 119 HE2 PHE 119 14.576 31.935 -2.264 174 HZ PHE 119 HZ PHE 119 15.573 33.708 -0.876 175 H ARG 120 H ARG 120 17.483 25.940 -0.651 176 HA ARG 120 HA ARG 120 15.850 24.391 -0.328 177 HB2 ARG 120 2HB ARG 120 16.259 25.604 2.290 178 HB3 ARG 120 3HB ARG 120 14.624 24.992 2.085 179 HG2 ARG 120 2HG ARG 120 17.103 23.369 1.567 180 HG3 ARG 120 3HG ARG 120 16.219 23.372 3.093 181 HD2 ARG 120 2HD ARG 120 14.235 22.542 1.986 182 HD3 ARG 120 3HD ARG 120 15.035 22.641 0.419 183 HE ARG 120 HE ARG 120 16.652 20.997 1.821 184 HH11 ARG 120 1HH1 ARG 120 13.223 21.024 1.225 185 HH12 ARG 120 2HH1 ARG 120 13.062 19.300 1.309 186 HH21 ARG 120 1HH2 ARG 120 16.455 18.727 1.935 187 HH22 ARG 120 2HH2 ARG 120 14.902 17.996 1.713 188 H SER 121 H SER 121 15.313 27.283 -1.257 189 HA SER 121 HA SER 121 12.379 27.167 -0.996 190 HB2 SER 121 2HB SER 121 14.171 29.309 -0.454 191 HB3 SER 121 3HB SER 121 13.232 29.750 -1.880 192 HG SER 121 HG SER 121 12.443 29.960 0.562 193 H ALA 122 H ALA 122 15.058 27.100 -3.111 194 HA ALA 122 HA ALA 122 13.239 27.226 -5.427 195 HB1 ALA 122 1HB ALA 122 14.766 28.418 -6.702 196 HB2 ALA 122 2HB ALA 122 14.910 29.170 -5.113 197 HB3 ALA 122 3HB ALA 122 16.120 28.005 -5.650 198 H CYS 123 H CYS 123 13.298 24.837 -4.602 199 HA CYS 123 HA CYS 123 15.588 23.269 -5.216 200 HB2 CYS 123 2HB CYS 123 12.728 22.308 -5.061 201 HB3 CYS 123 3HB CYS 123 14.190 21.360 -4.808 202 H TYR 124 H TYR 124 15.736 21.641 -6.897 203 HA TYR 124 HA TYR 124 14.086 22.055 -9.263 204 HB2 TYR 124 2HB TYR 124 16.403 22.044 -10.559 205 HB3 TYR 124 3HB TYR 124 15.674 23.541 -9.990 206 HD1 TYR 124 HD1 TYR 124 18.139 20.924 -9.019 207 HD2 TYR 124 HD2 TYR 124 16.873 24.962 -8.578 208 HE1 TYR 124 HE1 TYR 124 20.175 21.416 -7.730 209 HE2 TYR 124 HE2 TYR 124 18.906 25.465 -7.289 210 HH TYR 124 HH TYR 124 21.500 23.144 -6.969 211 H CYS 125 H CYS 125 14.393 20.390 -10.890 212 HA CYS 125 HA CYS 125 14.689 17.811 -9.718 213 HB2 CYS 125 2HB CYS 125 13.840 18.919 -12.296 214 HB3 CYS 125 3HB CYS 125 14.676 17.376 -12.437 215 H ARG 126 H ARG 126 16.794 17.600 -8.969 216 HA ARG 126 HA ARG 126 18.944 17.726 -10.962 217 HB2 ARG 126 2HB ARG 126 19.023 18.892 -8.634 218 HB3 ARG 126 3HB ARG 126 19.381 17.280 -8.028 219 HG2 ARG 126 2HG ARG 126 21.511 17.613 -8.509 220 HG3 ARG 126 3HG ARG 126 21.087 17.694 -10.220 221 HD2 ARG 126 2HD ARG 126 20.387 20.179 -9.391 222 HD3 ARG 126 3HD ARG 126 21.749 19.843 -8.324 223 HE ARG 126 HE ARG 126 22.278 19.260 -11.087 224 HH11 ARG 126 1HH1 ARG 126 22.271 21.730 -8.634 225 HH12 ARG 126 2HH1 ARG 126 23.450 22.713 -9.436 226 HH21 ARG 126 1HH2 ARG 126 23.832 20.545 -12.153 227 HH22 ARG 126 2HH2 ARG 126 24.337 22.039 -11.438 228 H VAL 127 H VAL 127 19.996 15.951 -11.641 229 HA VAL 127 HA VAL 127 18.946 13.367 -10.877 230 HB VAL 127 HB VAL 127 20.600 12.520 -12.596 231 HG11 VAL 127 1HG1 VAL 127 18.436 14.486 -13.281 232 HG12 VAL 127 2HG1 VAL 127 19.302 13.579 -14.521 233 HG13 VAL 127 3HG1 VAL 127 18.369 12.724 -13.292 234 HG21 VAL 127 3HG2 VAL 127 22.127 13.863 -13.501 235 HG22 VAL 127 1HG2 VAL 127 20.911 15.079 -13.894 236 HG23 VAL 127 2HG2 VAL 127 21.672 15.076 -12.304 237 H LEU 128 H LEU 128 19.647 12.875 -8.834 238 HA LEU 128 HA LEU 128 22.497 13.030 -8.231 239 HB2 LEU 128 2HB LEU 128 20.067 12.416 -6.571 240 HB3 LEU 128 3HB LEU 128 21.708 12.220 -5.958 241 HG LEU 128 HG LEU 128 20.876 14.301 -5.156 242 HD11 LEU 128 1HD1 LEU 128 22.501 15.840 -6.007 243 HD12 LEU 128 2HD1 LEU 128 22.659 14.921 -7.504 244 HD13 LEU 128 3HD1 LEU 128 23.222 14.230 -5.981 245 HD21 LEU 128 3HD2 LEU 128 20.336 15.165 -7.987 246 HD22 LEU 128 1HD2 LEU 128 19.895 15.989 -6.492 247 HD23 LEU 128 2HD2 LEU 128 19.096 14.480 -6.936 248 H SER 129 H SER 129 21.638 11.142 -10.208 249 HA SER 129 HA SER 129 22.000 8.570 -8.833 250 HB2 SER 129 2HB SER 129 20.484 7.771 -10.274 251 HB3 SER 129 3HB SER 129 20.325 9.380 -10.978 252 HG SER 129 HG SER 129 20.968 8.123 -12.638 253 H LEU 130 H LEU 130 23.257 10.549 -11.482 254 HA LEU 130 HA LEU 130 25.256 10.568 -12.562 255 HB2 LEU 130 2HB LEU 130 26.279 8.944 -10.243 256 HB3 LEU 130 3HB LEU 130 27.220 9.950 -11.341 257 HG LEU 130 HG LEU 130 25.153 11.055 -9.449 258 HD11 LEU 130 1HD1 LEU 130 28.034 11.391 -8.888 259 HD12 LEU 130 2HD1 LEU 130 27.340 9.806 -8.550 260 HD13 LEU 130 3HD1 LEU 130 26.667 11.244 -7.781 261 HD21 LEU 130 3HD2 LEU 130 27.162 12.196 -11.332 262 HD22 LEU 130 1HD2 LEU 130 26.770 13.077 -9.854 263 HD23 LEU 130 2HD2 LEU 130 25.499 12.694 -11.016 264 H ASN 131 H ASN 131 23.342 8.236 -12.768 265 HA ASN 131 HA ASN 131 25.240 6.322 -13.960 266 HB2 ASN 131 2HB ASN 131 22.758 5.871 -12.350 267 HB3 ASN 131 3HB ASN 131 23.189 4.703 -13.596 268 HD21 ASN 131 1HD2 ASN 131 23.126 4.575 -10.619 269 HD22 ASN 131 2HD2 ASN 131 24.692 4.000 -10.168 270 H CYS 132 H CYS 132 22.199 8.033 -14.258 271 HA CYS 132 HA CYS 132 21.482 6.847 -16.769 272 HB2 CYS 132 2HB CYS 132 20.459 9.287 -15.310 273 HB3 CYS 132 3HB CYS 132 19.784 8.705 -16.828 Start of MODEL 19 1 H CYS 93 H CYS 93 9.500 20.065 -20.783 2 HA CYS 93 HA CYS 93 8.331 20.505 -18.183 3 HB2 CYS 93 2HB CYS 93 9.300 18.317 -17.301 4 HB3 CYS 93 3HB CYS 93 7.826 18.195 -18.257 5 H VAL 94 H VAL 94 10.230 19.846 -16.489 6 HA VAL 94 HA VAL 94 12.401 21.601 -17.191 7 HB VAL 94 HB VAL 94 11.519 20.205 -14.717 8 HG11 VAL 94 1HG1 VAL 94 13.790 19.534 -14.680 9 HG12 VAL 94 2HG1 VAL 94 14.340 21.116 -15.233 10 HG13 VAL 94 3HG1 VAL 94 13.668 20.932 -13.612 11 HG21 VAL 94 3HG2 VAL 94 12.449 23.011 -15.324 12 HG22 VAL 94 1HG2 VAL 94 10.776 22.472 -15.183 13 HG23 VAL 94 2HG2 VAL 94 11.831 22.452 -13.769 14 H ALA 95 H ALA 95 14.299 21.039 -18.024 15 HA ALA 95 HA ALA 95 14.905 18.373 -18.739 16 HB1 ALA 95 1HB ALA 95 16.085 19.596 -20.180 17 HB2 ALA 95 2HB ALA 95 16.088 21.000 -19.113 18 HB3 ALA 95 3HB ALA 95 17.297 19.733 -18.907 19 H THR 96 H THR 96 16.890 20.499 -16.678 20 HA THR 96 HA THR 96 17.065 18.563 -14.574 21 HB THR 96 HB THR 96 19.677 19.102 -15.961 22 HG1 THR 96 HG1 THR 96 19.320 16.864 -16.786 23 HG21 THR 96 3HG2 THR 96 20.561 17.750 -14.404 24 HG22 THR 96 1HG2 THR 96 19.251 16.579 -14.551 25 HG23 THR 96 2HG2 THR 96 19.056 17.999 -13.522 26 H ARG 97 H ARG 97 17.956 19.403 -12.697 27 HA ARG 97 HA ARG 97 18.200 21.157 -11.228 28 HB2 ARG 97 2HB ARG 97 20.364 22.177 -11.382 29 HB3 ARG 97 3HB ARG 97 20.508 20.518 -11.947 30 HG2 ARG 97 2HG ARG 97 19.972 22.560 -14.008 31 HG3 ARG 97 3HG ARG 97 21.559 22.609 -13.236 32 HD2 ARG 97 2HD ARG 97 22.178 20.564 -14.067 33 HD3 ARG 97 3HD ARG 97 20.517 19.985 -14.173 34 HE ARG 97 HE ARG 97 20.364 20.883 -16.283 35 HH11 ARG 97 1HH1 ARG 97 23.245 22.051 -14.717 36 HH12 ARG 97 2HH1 ARG 97 23.893 22.767 -16.155 37 HH21 ARG 97 1HH2 ARG 97 21.207 21.822 -18.183 38 HH22 ARG 97 2HH2 ARG 97 22.733 22.637 -18.126 39 H ASN 98 H ASN 98 16.242 21.773 -13.139 40 HA ASN 98 HA ASN 98 16.756 24.592 -13.786 41 HB2 ASN 98 2HB ASN 98 15.901 22.823 -15.513 42 HB3 ASN 98 3HB ASN 98 14.343 23.080 -14.733 43 HD21 ASN 98 1HD2 ASN 98 14.577 23.653 -17.346 44 HD22 ASN 98 2HD2 ASN 98 14.560 25.362 -17.600 45 H SER 99 H SER 99 13.892 22.682 -12.845 46 HA SER 99 HA SER 99 13.408 24.385 -10.565 47 HB2 SER 99 2HB SER 99 12.459 25.614 -12.583 48 HB3 SER 99 3HB SER 99 11.290 24.301 -12.718 49 HG SER 99 HG SER 99 10.467 26.034 -11.484 50 H CYS 100 H CYS 100 12.005 23.481 -9.077 51 HA CYS 100 HA CYS 100 11.329 20.678 -9.583 52 HB2 CYS 100 2HB CYS 100 12.673 21.117 -7.596 53 HB3 CYS 100 3HB CYS 100 11.462 22.249 -7.001 54 H LYS 101 H LYS 101 9.733 22.711 -7.219 55 HA LYS 101 HA LYS 101 7.377 22.379 -6.832 56 HB2 LYS 101 2HB LYS 101 8.148 24.646 -8.620 57 HB3 LYS 101 3HB LYS 101 6.445 24.393 -8.261 58 HG2 LYS 101 2HG LYS 101 7.062 25.887 -6.629 59 HG3 LYS 101 3HG LYS 101 7.238 24.344 -5.790 60 HD2 LYS 101 2HD LYS 101 9.647 25.157 -7.221 61 HD3 LYS 101 3HD LYS 101 9.157 26.309 -5.977 62 HE2 LYS 101 2HE LYS 101 8.962 23.564 -5.062 63 HE3 LYS 101 3HE LYS 101 10.593 23.967 -5.597 64 HZ1 LYS 101 3HZ LYS 101 9.636 26.096 -4.065 65 HZ2 LYS 101 1HZ LYS 101 10.903 25.035 -3.701 66 HZ3 LYS 101 2HZ LYS 101 9.327 24.676 -3.201 67 HA PRO 102 HA PRO 102 6.323 19.919 -10.609 68 HB2 PRO 102 2HB PRO 102 5.272 17.831 -9.228 69 HB3 PRO 102 3HB PRO 102 6.997 17.973 -9.591 70 HG2 PRO 102 2HG PRO 102 5.532 18.633 -7.065 71 HG3 PRO 102 3HG PRO 102 7.083 17.799 -7.273 72 HD2 PRO 102 2HD PRO 102 6.916 20.412 -6.584 73 HD3 PRO 102 3HD PRO 102 8.245 19.767 -7.567 74 H ALA 103 H ALA 103 4.818 21.969 -10.408 75 HA ALA 103 HA ALA 103 2.106 21.017 -9.745 76 HB1 ALA 103 1HB ALA 103 3.337 23.739 -9.468 77 HB2 ALA 103 2HB ALA 103 1.589 23.520 -9.560 78 HB3 ALA 103 3HB ALA 103 2.504 22.769 -8.254 79 H ALA 104 H ALA 104 3.918 23.210 -11.888 80 HA ALA 104 HA ALA 104 1.740 23.287 -13.793 81 HB1 ALA 104 1HB ALA 104 4.520 24.429 -14.029 82 HB2 ALA 104 2HB ALA 104 3.135 24.806 -15.055 83 HB3 ALA 104 3HB ALA 104 3.128 25.277 -13.355 84 H ALA 105 H ALA 105 3.867 20.967 -13.084 85 HA ALA 105 HA ALA 105 4.393 19.034 -14.201 86 HB1 ALA 105 1HB ALA 105 2.350 19.881 -15.687 87 HB2 ALA 105 2HB ALA 105 3.643 20.067 -16.873 88 HB3 ALA 105 3HB ALA 105 3.341 18.493 -16.137 89 H ALA 106 H ALA 106 6.401 20.611 -13.599 90 HA ALA 106 HA ALA 106 8.106 20.558 -15.996 91 HB1 ALA 106 1HB ALA 106 7.278 22.893 -15.015 92 HB2 ALA 106 2HB ALA 106 8.674 22.640 -13.968 93 HB3 ALA 106 3HB ALA 106 8.880 22.673 -15.720 94 H CYS 107 H CYS 107 8.396 18.382 -14.809 95 HA CYS 107 HA CYS 107 10.951 18.410 -13.579 96 HB2 CYS 107 2HB CYS 107 8.982 18.933 -11.765 97 HB3 CYS 107 3HB CYS 107 9.078 17.178 -11.666 98 H CYS 108 H CYS 108 9.610 17.152 -15.789 99 HA CYS 108 HA CYS 108 8.917 14.480 -15.286 100 HB2 CYS 108 2HB CYS 108 9.181 14.122 -17.658 101 HB3 CYS 108 3HB CYS 108 8.458 15.708 -17.407 102 H ASP 109 H ASP 109 10.495 12.926 -16.934 103 HA ASP 109 HA ASP 109 12.412 11.696 -17.017 104 HB2 ASP 109 2HB ASP 109 13.349 14.227 -16.972 105 HB3 ASP 109 3HB ASP 109 14.043 13.624 -15.469 106 HA PRO 110 HA PRO 110 11.659 10.060 -12.862 107 HB2 PRO 110 2HB PRO 110 12.016 7.470 -13.591 108 HB3 PRO 110 3HB PRO 110 10.498 8.340 -13.847 109 HG2 PRO 110 2HG PRO 110 12.711 7.781 -15.784 110 HG3 PRO 110 3HG PRO 110 10.958 7.676 -16.028 111 HD2 PRO 110 2HD PRO 110 12.423 9.788 -16.880 112 HD3 PRO 110 3HD PRO 110 10.739 9.949 -16.342 113 H CYS 111 H CYS 111 14.390 10.207 -14.832 114 HA CYS 111 HA CYS 111 16.114 8.625 -13.124 115 HB2 CYS 111 2HB CYS 111 16.331 9.955 -15.739 116 HB3 CYS 111 3HB CYS 111 17.797 10.024 -14.767 117 H ALA 112 H ALA 112 14.868 11.740 -13.090 118 HA ALA 112 HA ALA 112 17.105 12.724 -11.442 119 HB1 ALA 112 1HB ALA 112 16.143 13.916 -13.656 120 HB2 ALA 112 2HB ALA 112 15.124 14.670 -12.429 121 HB3 ALA 112 3HB ALA 112 16.880 14.792 -12.313 122 H SER 113 H SER 113 16.546 14.048 -9.591 123 HA SER 113 HA SER 113 13.848 13.548 -8.533 124 HB2 SER 113 2HB SER 113 15.741 12.013 -7.620 125 HB3 SER 113 3HB SER 113 16.253 13.449 -6.733 126 HG SER 113 HG SER 113 14.376 13.445 -5.616 127 H CYS 114 H CYS 114 13.039 15.108 -7.108 128 HA CYS 114 HA CYS 114 13.902 17.761 -7.601 129 HB2 CYS 114 2HB CYS 114 11.573 17.351 -7.179 130 HB3 CYS 114 3HB CYS 114 11.929 16.622 -5.616 131 H TYR 115 H TYR 115 15.944 18.196 -6.901 132 HA TYR 115 HA TYR 115 16.597 17.664 -4.092 133 HB2 TYR 115 2HB TYR 115 18.350 16.873 -5.414 134 HB3 TYR 115 3HB TYR 115 18.242 18.221 -6.540 135 HD1 TYR 115 HD1 TYR 115 19.366 17.234 -3.158 136 HD2 TYR 115 HD2 TYR 115 19.498 20.205 -6.201 137 HE1 TYR 115 HE1 TYR 115 21.184 18.374 -1.958 138 HE2 TYR 115 HE2 TYR 115 21.318 21.353 -5.008 139 HH TYR 115 HH TYR 115 23.204 20.443 -3.214 140 H CYS 116 H CYS 116 17.208 19.275 -2.676 141 HA CYS 116 HA CYS 116 16.720 22.035 -3.592 142 HB2 CYS 116 2HB CYS 116 16.190 20.906 -0.835 143 HB3 CYS 116 3HB CYS 116 15.849 22.547 -1.374 144 H ARG 117 H ARG 117 17.905 23.710 -2.470 145 HA ARG 117 HA ARG 117 20.493 22.743 -1.445 146 HB2 ARG 117 2HB ARG 117 21.140 25.207 -2.208 147 HB3 ARG 117 3HB ARG 117 21.166 23.850 -3.327 148 HG2 ARG 117 2HG ARG 117 20.105 25.731 -4.375 149 HG3 ARG 117 3HG ARG 117 18.901 24.474 -4.081 150 HD2 ARG 117 2HD ARG 117 17.806 25.699 -2.503 151 HD3 ARG 117 3HD ARG 117 19.270 26.528 -1.977 152 HE ARG 117 HE ARG 117 17.410 27.422 -3.942 153 HH11 ARG 117 1HH1 ARG 117 20.774 27.468 -3.048 154 HH12 ARG 117 2HH1 ARG 117 21.106 28.958 -3.867 155 HH21 ARG 117 1HH2 ARG 117 17.834 29.384 -5.024 156 HH22 ARG 117 2HH2 ARG 117 19.432 30.048 -4.990 157 H PHE 118 H PHE 118 21.552 24.988 -0.401 158 HA PHE 118 HA PHE 118 20.677 25.159 2.149 159 HB2 PHE 118 2HB PHE 118 21.882 27.367 0.474 160 HB3 PHE 118 3HB PHE 118 21.693 27.463 2.222 161 HD1 PHE 118 HD2 PHE 118 22.736 25.467 3.563 162 HD2 PHE 118 HD1 PHE 118 23.853 26.567 -0.394 163 HE1 PHE 118 HE2 PHE 118 24.894 24.324 3.858 164 HE2 PHE 118 HE1 PHE 118 26.013 25.424 -0.106 165 HZ PHE 118 HZ PHE 118 26.536 24.302 2.023 166 H PHE 119 H PHE 119 19.738 27.490 -0.382 167 HA PHE 119 HA PHE 119 17.964 29.023 1.034 168 HB2 PHE 119 2HB PHE 119 18.718 28.996 -1.531 169 HB3 PHE 119 3HB PHE 119 17.134 28.253 -1.717 170 HD1 PHE 119 HD2 PHE 119 18.485 31.049 0.356 171 HD2 PHE 119 HD1 PHE 119 15.573 29.749 -2.463 172 HE1 PHE 119 HE2 PHE 119 17.440 33.275 0.414 173 HE2 PHE 119 HE1 PHE 119 14.523 31.973 -2.410 174 HZ PHE 119 HZ PHE 119 15.456 33.740 -0.969 175 H ARG 120 H ARG 120 17.287 25.961 -0.627 176 HA ARG 120 HA ARG 120 15.623 24.429 -0.375 177 HB2 ARG 120 2HB ARG 120 15.900 25.666 2.251 178 HB3 ARG 120 3HB ARG 120 14.274 25.060 1.961 179 HG2 ARG 120 2HG ARG 120 16.783 23.431 1.625 180 HG3 ARG 120 3HG ARG 120 15.769 23.431 3.070 181 HD2 ARG 120 2HD ARG 120 14.378 22.955 0.513 182 HD3 ARG 120 3HD ARG 120 15.486 21.687 1.034 183 HE ARG 120 HE ARG 120 12.968 22.396 2.236 184 HH11 ARG 120 1HH1 ARG 120 16.057 20.865 2.715 185 HH12 ARG 120 2HH1 ARG 120 15.507 19.868 4.022 186 HH21 ARG 120 1HH2 ARG 120 12.232 21.089 3.955 187 HH22 ARG 120 2HH2 ARG 120 13.332 19.996 4.725 188 H SER 121 H SER 121 15.169 27.281 -1.405 189 HA SER 121 HA SER 121 12.225 27.225 -1.269 190 HB2 SER 121 2HB SER 121 13.965 29.329 -0.615 191 HB3 SER 121 3HB SER 121 13.279 29.762 -2.181 192 HG SER 121 HG SER 121 11.808 29.016 0.131 193 H ALA 122 H ALA 122 15.033 27.249 -3.276 194 HA ALA 122 HA ALA 122 13.309 27.260 -5.669 195 HB1 ALA 122 1HB ALA 122 14.768 29.241 -5.544 196 HB2 ALA 122 2HB ALA 122 16.177 28.181 -5.510 197 HB3 ALA 122 3HB ALA 122 15.136 28.218 -6.933 198 H CYS 123 H CYS 123 13.237 24.899 -4.940 199 HA CYS 123 HA CYS 123 15.576 23.305 -5.397 200 HB2 CYS 123 2HB CYS 123 12.714 22.348 -5.274 201 HB3 CYS 123 3HB CYS 123 14.172 21.413 -4.959 202 H TYR 124 H TYR 124 15.743 21.637 -7.038 203 HA TYR 124 HA TYR 124 14.136 22.011 -9.440 204 HB2 TYR 124 2HB TYR 124 16.461 21.954 -10.705 205 HB3 TYR 124 3HB TYR 124 15.761 23.472 -10.155 206 HD1 TYR 124 HD2 TYR 124 18.122 20.796 -9.075 207 HD2 TYR 124 HD1 TYR 124 17.019 24.896 -8.817 208 HE1 TYR 124 HE2 TYR 124 20.158 21.255 -7.774 209 HE2 TYR 124 HE1 TYR 124 19.052 25.368 -7.517 210 HH TYR 124 HH TYR 124 21.639 23.445 -7.389 211 H CYS 125 H CYS 125 14.441 20.303 -11.019 212 HA CYS 125 HA CYS 125 14.722 17.751 -9.773 213 HB2 CYS 125 2HB CYS 125 13.861 18.791 -12.381 214 HB3 CYS 125 3HB CYS 125 14.661 17.226 -12.466 215 H ARG 126 H ARG 126 16.826 17.515 -9.053 216 HA ARG 126 HA ARG 126 18.942 17.553 -11.092 217 HB2 ARG 126 2HB ARG 126 19.281 18.947 -9.062 218 HB3 ARG 126 3HB ARG 126 19.215 17.488 -8.083 219 HG2 ARG 126 2HG ARG 126 21.249 16.699 -8.904 220 HG3 ARG 126 3HG ARG 126 21.208 17.781 -10.298 221 HD2 ARG 126 2HD ARG 126 21.202 19.048 -7.625 222 HD3 ARG 126 3HD ARG 126 22.693 18.246 -8.117 223 HE ARG 126 HE ARG 126 21.590 20.678 -9.192 224 HH11 ARG 126 1HH1 ARG 126 23.712 17.979 -9.773 225 HH12 ARG 126 2HH1 ARG 126 24.662 18.815 -10.956 226 HH21 ARG 126 1HH2 ARG 126 22.834 21.788 -10.749 227 HH22 ARG 126 2HH2 ARG 126 24.162 20.980 -11.511 228 H VAL 127 H VAL 127 19.959 15.731 -11.690 229 HA VAL 127 HA VAL 127 18.914 13.206 -10.778 230 HB VAL 127 HB VAL 127 20.543 12.236 -12.419 231 HG11 VAL 127 1HG1 VAL 127 19.374 13.175 -14.427 232 HG12 VAL 127 2HG1 VAL 127 18.302 12.620 -13.138 233 HG13 VAL 127 3HG1 VAL 127 18.606 14.344 -13.352 234 HG21 VAL 127 3HG2 VAL 127 22.229 13.451 -13.202 235 HG22 VAL 127 1HG2 VAL 127 21.095 14.623 -13.875 236 HG23 VAL 127 2HG2 VAL 127 21.685 14.816 -12.224 237 H LEU 128 H LEU 128 19.644 12.187 -9.042 238 HA LEU 128 HA LEU 128 22.421 12.647 -8.189 239 HB2 LEU 128 2HB LEU 128 20.172 11.502 -6.549 240 HB3 LEU 128 3HB LEU 128 21.749 12.044 -5.976 241 HG LEU 128 HG LEU 128 20.212 14.144 -7.307 242 HD11 LEU 128 1HD1 LEU 128 18.934 12.487 -5.260 243 HD12 LEU 128 2HD1 LEU 128 18.229 13.629 -6.403 244 HD13 LEU 128 3HD1 LEU 128 18.944 14.214 -4.901 245 HD21 LEU 128 3HD2 LEU 128 21.945 15.041 -6.161 246 HD22 LEU 128 1HD2 LEU 128 21.960 13.752 -4.957 247 HD23 LEU 128 2HD2 LEU 128 20.769 15.048 -4.845 248 H SER 129 H SER 129 21.415 10.722 -10.247 249 HA SER 129 HA SER 129 22.065 8.162 -8.979 250 HB2 SER 129 2HB SER 129 21.046 8.686 -11.781 251 HB3 SER 129 3HB SER 129 21.184 7.117 -10.990 252 HG SER 129 HG SER 129 19.329 9.165 -10.586 253 H LEU 130 H LEU 130 23.189 10.423 -11.409 254 HA LEU 130 HA LEU 130 25.141 10.607 -12.558 255 HB2 LEU 130 2HB LEU 130 26.184 8.767 -10.411 256 HB3 LEU 130 3HB LEU 130 27.162 9.751 -11.497 257 HG LEU 130 HG LEU 130 25.197 11.007 -9.609 258 HD11 LEU 130 1HD1 LEU 130 28.093 10.565 -8.951 259 HD12 LEU 130 2HD1 LEU 130 26.828 9.455 -8.424 260 HD13 LEU 130 3HD1 LEU 130 26.797 11.139 -7.900 261 HD21 LEU 130 3HD2 LEU 130 27.127 12.767 -9.797 262 HD22 LEU 130 1HD2 LEU 130 25.915 12.627 -11.071 263 HD23 LEU 130 2HD2 LEU 130 27.503 11.890 -11.280 264 H ASN 131 H ASN 131 23.255 8.351 -13.088 265 HA ASN 131 HA ASN 131 25.146 6.598 -14.516 266 HB2 ASN 131 2HB ASN 131 22.607 5.936 -13.051 267 HB3 ASN 131 3HB ASN 131 23.169 4.911 -14.368 268 HD21 ASN 131 1HD2 ASN 131 24.793 3.510 -14.016 269 HD22 ASN 131 2HD2 ASN 131 25.620 3.333 -12.510 270 H CYS 132 H CYS 132 22.083 8.309 -14.574 271 HA CYS 132 HA CYS 132 21.462 7.508 -17.274 272 HB2 CYS 132 2HB CYS 132 20.196 9.722 -15.652 273 HB3 CYS 132 3HB CYS 132 19.517 8.913 -17.059 Start of MODEL 20 1 H CYS 93 H CYS 93 8.690 20.724 -21.058 2 HA CYS 93 HA CYS 93 7.766 21.431 -18.349 3 HB2 CYS 93 2HB CYS 93 8.558 19.092 -17.724 4 HB3 CYS 93 3HB CYS 93 7.088 19.186 -18.687 5 H VAL 94 H VAL 94 9.587 20.509 -16.733 6 HA VAL 94 HA VAL 94 11.911 22.114 -17.306 7 HB VAL 94 HB VAL 94 10.916 20.616 -14.921 8 HG11 VAL 94 1HG1 VAL 94 13.122 21.334 -13.808 9 HG12 VAL 94 2HG1 VAL 94 13.121 19.873 -14.798 10 HG13 VAL 94 3HG1 VAL 94 13.765 21.381 -15.449 11 HG21 VAL 94 3HG2 VAL 94 11.450 23.406 -15.720 12 HG22 VAL 94 1HG2 VAL 94 10.185 22.741 -14.689 13 HG23 VAL 94 2HG2 VAL 94 11.805 22.999 -14.042 14 H ALA 95 H ALA 95 13.800 21.437 -18.083 15 HA ALA 95 HA ALA 95 14.155 18.722 -18.895 16 HB1 ALA 95 1HB ALA 95 15.457 19.755 -20.364 17 HB2 ALA 95 2HB ALA 95 15.386 21.251 -19.432 18 HB3 ALA 95 3HB ALA 95 16.624 20.048 -19.073 19 H THR 96 H THR 96 16.277 20.743 -16.861 20 HA THR 96 HA THR 96 16.441 18.754 -14.804 21 HB THR 96 HB THR 96 19.034 19.266 -16.241 22 HG1 THR 96 HG1 THR 96 17.314 17.023 -16.622 23 HG21 THR 96 3HG2 THR 96 18.820 16.723 -14.971 24 HG22 THR 96 1HG2 THR 96 18.280 17.961 -13.838 25 HG23 THR 96 2HG2 THR 96 19.883 18.071 -14.564 26 H ARG 97 H ARG 97 17.490 19.497 -12.939 27 HA ARG 97 HA ARG 97 17.811 21.195 -11.419 28 HB2 ARG 97 2HB ARG 97 19.961 22.238 -11.667 29 HB3 ARG 97 3HB ARG 97 20.075 20.594 -12.280 30 HG2 ARG 97 2HG ARG 97 19.426 22.699 -14.248 31 HG3 ARG 97 3HG ARG 97 21.058 22.707 -13.576 32 HD2 ARG 97 2HD ARG 97 21.615 20.723 -14.547 33 HD3 ARG 97 3HD ARG 97 19.965 20.105 -14.485 34 HE ARG 97 HE ARG 97 19.775 22.065 -16.313 35 HH11 ARG 97 1HH1 ARG 97 22.011 19.423 -15.936 36 HH12 ARG 97 2HH1 ARG 97 22.305 19.258 -17.635 37 HH21 ARG 97 1HH2 ARG 97 20.152 21.856 -18.553 38 HH22 ARG 97 2HH2 ARG 97 21.248 20.643 -19.123 39 H ASN 98 H ASN 98 15.738 21.880 -13.166 40 HA ASN 98 HA ASN 98 16.210 24.728 -13.722 41 HB2 ASN 98 2HB ASN 98 15.192 22.895 -15.406 42 HB3 ASN 98 3HB ASN 98 13.703 23.427 -14.632 43 HD21 ASN 98 1HD2 ASN 98 14.185 23.808 -17.321 44 HD22 ASN 98 2HD2 ASN 98 14.359 25.499 -17.633 45 H SER 99 H SER 99 13.649 22.584 -12.474 46 HA SER 99 HA SER 99 13.187 24.175 -10.176 47 HB2 SER 99 2HB SER 99 12.165 25.576 -12.062 48 HB3 SER 99 3HB SER 99 10.942 24.313 -12.186 49 HG SER 99 HG SER 99 10.051 25.006 -10.406 50 H CYS 100 H CYS 100 11.775 23.196 -8.720 51 HA CYS 100 HA CYS 100 10.994 20.464 -9.455 52 HB2 CYS 100 2HB CYS 100 12.427 21.383 -7.295 53 HB3 CYS 100 3HB CYS 100 10.809 21.207 -6.624 54 H LYS 101 H LYS 101 9.200 20.066 -7.302 55 HA LYS 101 HA LYS 101 6.997 20.244 -6.763 56 HB2 LYS 101 2HB LYS 101 7.829 23.010 -7.294 57 HB3 LYS 101 3HB LYS 101 6.104 22.732 -7.493 58 HG2 LYS 101 2HG LYS 101 6.365 23.403 -5.269 59 HG3 LYS 101 3HG LYS 101 6.166 21.650 -5.196 60 HD2 LYS 101 2HD LYS 101 8.937 22.660 -5.433 61 HD3 LYS 101 3HD LYS 101 8.114 22.966 -3.901 62 HE2 LYS 101 2HE LYS 101 7.770 20.243 -4.909 63 HE3 LYS 101 3HE LYS 101 9.446 20.666 -4.564 64 HZ1 LYS 101 3HZ LYS 101 7.553 19.873 -2.747 65 HZ2 LYS 101 1HZ LYS 101 7.696 21.540 -2.494 66 HZ3 LYS 101 2HZ LYS 101 9.064 20.550 -2.395 67 HA PRO 102 HA PRO 102 5.900 19.404 -11.167 68 HB2 PRO 102 2HB PRO 102 4.815 16.968 -10.658 69 HB3 PRO 102 3HB PRO 102 6.543 17.211 -10.939 70 HG2 PRO 102 2HG PRO 102 5.070 16.910 -8.351 71 HG3 PRO 102 3HG PRO 102 6.613 16.191 -8.850 72 HD2 PRO 102 2HD PRO 102 6.471 18.367 -7.243 73 HD3 PRO 102 3HD PRO 102 7.800 18.113 -8.393 74 H ALA 103 H ALA 103 4.402 21.242 -10.411 75 HA ALA 103 HA ALA 103 1.700 20.177 -9.907 76 HB1 ALA 103 1HB ALA 103 1.203 22.564 -9.176 77 HB2 ALA 103 2HB ALA 103 2.228 21.598 -8.113 78 HB3 ALA 103 3HB ALA 103 2.950 22.808 -9.174 79 H ALA 104 H ALA 104 3.577 22.507 -11.794 80 HA ALA 104 HA ALA 104 1.276 23.033 -13.513 81 HB1 ALA 104 1HB ALA 104 4.038 24.238 -13.613 82 HB2 ALA 104 2HB ALA 104 2.614 24.788 -14.497 83 HB3 ALA 104 3HB ALA 104 2.666 24.920 -12.739 84 H ALA 105 H ALA 105 3.447 20.654 -13.326 85 HA ALA 105 HA ALA 105 3.942 18.975 -14.812 86 HB1 ALA 105 1HB ALA 105 2.855 18.816 -16.799 87 HB2 ALA 105 2HB ALA 105 1.859 20.066 -16.053 88 HB3 ALA 105 3HB ALA 105 3.116 20.513 -17.207 89 H ALA 106 H ALA 106 5.968 20.388 -13.964 90 HA ALA 106 HA ALA 106 7.680 20.639 -16.318 91 HB1 ALA 106 1HB ALA 106 8.418 22.777 -15.916 92 HB2 ALA 106 2HB ALA 106 6.718 22.915 -15.467 93 HB3 ALA 106 3HB ALA 106 7.947 22.738 -14.216 94 H CYS 107 H CYS 107 8.583 18.661 -15.607 95 HA CYS 107 HA CYS 107 10.873 18.877 -14.030 96 HB2 CYS 107 2HB CYS 107 8.664 18.771 -12.398 97 HB3 CYS 107 3HB CYS 107 9.145 17.079 -12.483 98 H CYS 108 H CYS 108 9.958 17.747 -16.510 99 HA CYS 108 HA CYS 108 9.906 14.890 -16.260 100 HB2 CYS 108 2HB CYS 108 10.119 14.941 -18.754 101 HB3 CYS 108 3HB CYS 108 8.768 15.882 -18.132 102 H ASP 109 H ASP 109 11.617 13.689 -15.806 103 HA ASP 109 HA ASP 109 14.032 13.810 -17.255 104 HB2 ASP 109 2HB ASP 109 14.370 15.827 -15.843 105 HB3 ASP 109 3HB ASP 109 14.233 14.815 -14.409 106 HA PRO 110 HA PRO 110 13.604 9.690 -15.589 107 HB2 PRO 110 2HB PRO 110 15.554 8.587 -17.123 108 HB3 PRO 110 3HB PRO 110 13.936 8.947 -17.738 109 HG2 PRO 110 2HG PRO 110 16.466 10.520 -18.031 110 HG3 PRO 110 3HG PRO 110 15.221 10.167 -19.244 111 HD2 PRO 110 2HD PRO 110 15.363 12.542 -17.950 112 HD3 PRO 110 3HD PRO 110 13.823 11.830 -18.477 113 H CYS 111 H CYS 111 14.541 8.766 -13.867 114 HA CYS 111 HA CYS 111 16.050 8.240 -12.246 115 HB2 CYS 111 2HB CYS 111 17.471 7.801 -14.389 116 HB3 CYS 111 3HB CYS 111 18.296 9.289 -13.937 117 H ALA 112 H ALA 112 15.055 11.106 -12.909 118 HA ALA 112 HA ALA 112 17.036 12.714 -11.515 119 HB1 ALA 112 1HB ALA 112 15.285 13.302 -13.515 120 HB2 ALA 112 2HB ALA 112 14.446 13.947 -12.103 121 HB3 ALA 112 3HB ALA 112 16.079 14.494 -12.484 122 H SER 113 H SER 113 16.312 14.148 -9.726 123 HA SER 113 HA SER 113 14.078 13.201 -8.138 124 HB2 SER 113 2HB SER 113 15.634 12.963 -6.110 125 HB3 SER 113 3HB SER 113 15.660 11.659 -7.295 126 HG SER 113 HG SER 113 17.450 13.769 -7.645 127 H CYS 114 H CYS 114 13.412 14.666 -6.554 128 HA CYS 114 HA CYS 114 13.948 17.383 -7.093 129 HB2 CYS 114 2HB CYS 114 11.856 16.274 -6.025 130 HB3 CYS 114 3HB CYS 114 12.738 16.438 -4.511 131 H TYR 115 H TYR 115 15.909 18.219 -6.729 132 HA TYR 115 HA TYR 115 17.205 17.660 -4.144 133 HB2 TYR 115 2HB TYR 115 18.710 16.969 -5.799 134 HB3 TYR 115 3HB TYR 115 18.308 18.314 -6.862 135 HD1 TYR 115 HD1 TYR 115 20.061 17.422 -3.720 136 HD2 TYR 115 HD2 TYR 115 19.531 20.332 -6.779 137 HE1 TYR 115 HE1 TYR 115 22.001 18.668 -2.863 138 HE2 TYR 115 HE2 TYR 115 21.470 21.584 -5.932 139 HH TYR 115 HH TYR 115 22.884 21.814 -4.163 140 H CYS 116 H CYS 116 18.007 19.345 -2.903 141 HA CYS 116 HA CYS 116 17.158 22.047 -3.719 142 HB2 CYS 116 2HB CYS 116 17.163 20.923 -0.910 143 HB3 CYS 116 3HB CYS 116 16.653 22.541 -1.382 144 H ARG 117 H ARG 117 18.406 23.809 -2.816 145 HA ARG 117 HA ARG 117 21.184 23.016 -2.231 146 HB2 ARG 117 2HB ARG 117 21.541 25.500 -3.122 147 HB3 ARG 117 3HB ARG 117 21.476 24.118 -4.209 148 HG2 ARG 117 2HG ARG 117 20.139 25.901 -5.100 149 HG3 ARG 117 3HG ARG 117 19.084 24.579 -4.599 150 HD2 ARG 117 2HD ARG 117 18.158 25.778 -2.906 151 HD3 ARG 117 3HD ARG 117 19.640 26.681 -2.593 152 HE ARG 117 HE ARG 117 17.472 27.500 -4.224 153 HH11 ARG 117 1HH1 ARG 117 20.945 27.603 -4.003 154 HH12 ARG 117 2HH1 ARG 117 21.089 29.073 -4.907 155 HH21 ARG 117 1HH2 ARG 117 17.649 29.437 -5.415 156 HH22 ARG 117 2HH2 ARG 117 19.214 30.117 -5.709 157 H PHE 118 H PHE 118 22.259 25.349 -1.411 158 HA PHE 118 HA PHE 118 21.814 25.526 1.247 159 HB2 PHE 118 2HB PHE 118 22.598 27.732 -0.658 160 HB3 PHE 118 3HB PHE 118 22.643 27.918 1.092 161 HD1 PHE 118 HD2 PHE 118 24.097 26.308 2.420 162 HD2 PHE 118 HD1 PHE 118 24.382 26.773 -1.801 163 HE1 PHE 118 HE2 PHE 118 26.349 25.319 2.467 164 HE2 PHE 118 HE1 PHE 118 26.635 25.785 -1.761 165 HZ PHE 118 HZ PHE 118 27.623 25.058 0.376 166 H PHE 119 H PHE 119 20.302 27.716 -1.125 167 HA PHE 119 HA PHE 119 18.698 29.179 0.546 168 HB2 PHE 119 2HB PHE 119 18.998 29.097 -2.119 169 HB3 PHE 119 3HB PHE 119 17.442 28.284 -1.992 170 HD1 PHE 119 HD1 PHE 119 19.029 31.209 -0.298 171 HD2 PHE 119 HD2 PHE 119 15.692 29.682 -2.453 172 HE1 PHE 119 HE1 PHE 119 17.910 33.392 -0.106 173 HE2 PHE 119 HE2 PHE 119 14.569 31.862 -2.266 174 HZ PHE 119 HZ PHE 119 15.678 33.721 -1.091 175 H ARG 120 H ARG 120 17.954 26.031 -0.913 176 HA ARG 120 HA ARG 120 16.469 24.403 -0.344 177 HB2 ARG 120 2HB ARG 120 17.517 24.946 1.956 178 HB3 ARG 120 3HB ARG 120 16.008 25.788 2.282 179 HG2 ARG 120 2HG ARG 120 15.462 23.767 3.138 180 HG3 ARG 120 3HG ARG 120 14.994 23.473 1.461 181 HD2 ARG 120 2HD ARG 120 17.088 22.372 1.019 182 HD3 ARG 120 3HD ARG 120 17.690 22.790 2.623 183 HE ARG 120 HE ARG 120 15.308 21.298 2.852 184 HH11 ARG 120 1HH1 ARG 120 18.664 20.943 1.994 185 HH12 ARG 120 2HH1 ARG 120 18.745 19.278 2.469 186 HH21 ARG 120 1HH2 ARG 120 15.402 19.106 3.481 187 HH22 ARG 120 2HH2 ARG 120 16.889 18.235 3.314 188 H SER 121 H SER 121 15.661 27.233 -1.287 189 HA SER 121 HA SER 121 12.781 26.922 -0.738 190 HB2 SER 121 2HB SER 121 14.492 29.225 -0.438 191 HB3 SER 121 3HB SER 121 13.226 29.560 -1.620 192 HG SER 121 HG SER 121 12.002 29.846 0.056 193 H ALA 122 H ALA 122 15.210 26.846 -3.060 194 HA ALA 122 HA ALA 122 13.206 26.967 -5.212 195 HB1 ALA 122 1HB ALA 122 14.298 28.938 -5.657 196 HB2 ALA 122 2HB ALA 122 15.845 28.345 -5.054 197 HB3 ALA 122 3HB ALA 122 15.244 27.805 -6.622 198 H CYS 123 H CYS 123 13.383 24.586 -4.488 199 HA CYS 123 HA CYS 123 15.698 23.121 -5.295 200 HB2 CYS 123 2HB CYS 123 12.921 22.010 -4.884 201 HB3 CYS 123 3HB CYS 123 14.456 21.158 -4.736 202 H TYR 124 H TYR 124 15.790 21.549 -7.009 203 HA TYR 124 HA TYR 124 13.893 21.915 -9.202 204 HB2 TYR 124 2HB TYR 124 16.146 21.890 -10.661 205 HB3 TYR 124 3HB TYR 124 15.375 23.379 -10.126 206 HD1 TYR 124 HD2 TYR 124 18.141 21.027 -9.459 207 HD2 TYR 124 HD1 TYR 124 16.436 24.818 -8.547 208 HE1 TYR 124 HE2 TYR 124 20.210 21.673 -8.297 209 HE2 TYR 124 HE1 TYR 124 18.500 25.473 -7.384 210 HH TYR 124 HH TYR 124 21.375 23.936 -7.734 211 H CYS 125 H CYS 125 14.181 20.283 -10.923 212 HA CYS 125 HA CYS 125 14.501 17.690 -9.787 213 HB2 CYS 125 2HB CYS 125 13.640 18.820 -12.371 214 HB3 CYS 125 3HB CYS 125 14.376 17.223 -12.467 215 H ARG 126 H ARG 126 16.592 17.345 -9.133 216 HA ARG 126 HA ARG 126 18.649 17.390 -11.243 217 HB2 ARG 126 2HB ARG 126 18.891 18.878 -9.138 218 HB3 ARG 126 3HB ARG 126 19.259 17.378 -8.300 219 HG2 ARG 126 2HG ARG 126 21.237 17.061 -9.466 220 HG3 ARG 126 3HG ARG 126 20.750 18.137 -10.776 221 HD2 ARG 126 2HD ARG 126 21.842 19.794 -9.781 222 HD3 ARG 126 3HD ARG 126 20.732 19.673 -8.417 223 HE ARG 126 HE ARG 126 22.379 18.634 -7.210 224 HH11 ARG 126 1HH1 ARG 126 23.261 18.658 -10.578 225 HH12 ARG 126 2HH1 ARG 126 24.868 18.073 -10.295 226 HH21 ARG 126 1HH2 ARG 126 24.492 17.864 -6.825 227 HH22 ARG 126 2HH2 ARG 126 25.567 17.621 -8.160 228 H VAL 127 H VAL 127 19.673 15.543 -11.749 229 HA VAL 127 HA VAL 127 18.682 13.070 -10.695 230 HB VAL 127 HB VAL 127 20.464 12.062 -12.200 231 HG11 VAL 127 1HG1 VAL 127 19.254 12.911 -14.309 232 HG12 VAL 127 2HG1 VAL 127 18.305 12.082 -13.075 233 HG13 VAL 127 3HG1 VAL 127 18.263 13.841 -13.187 234 HG21 VAL 127 3HG2 VAL 127 21.982 13.330 -13.232 235 HG22 VAL 127 1HG2 VAL 127 20.768 14.507 -13.736 236 HG23 VAL 127 2HG2 VAL 127 21.500 14.625 -12.136 237 H LEU 128 H LEU 128 19.257 12.757 -8.592 238 HA LEU 128 HA LEU 128 22.048 13.059 -7.806 239 HB2 LEU 128 2HB LEU 128 19.670 12.251 -6.140 240 HB3 LEU 128 3HB LEU 128 21.270 12.690 -5.545 241 HG LEU 128 HG LEU 128 19.885 14.745 -7.148 242 HD11 LEU 128 1HD1 LEU 128 18.000 14.817 -5.987 243 HD12 LEU 128 2HD1 LEU 128 18.932 15.064 -4.511 244 HD13 LEU 128 3HD1 LEU 128 18.511 13.430 -5.024 245 HD21 LEU 128 3HD2 LEU 128 21.674 15.757 -6.265 246 HD22 LEU 128 1HD2 LEU 128 21.876 14.521 -5.023 247 HD23 LEU 128 2HD2 LEU 128 20.722 15.835 -4.780 248 H SER 129 H SER 129 21.546 11.017 -9.671 249 HA SER 129 HA SER 129 21.825 8.569 -8.064 250 HB2 SER 129 2HB SER 129 20.804 9.095 -10.831 251 HB3 SER 129 3HB SER 129 21.487 7.514 -10.451 252 HG SER 129 HG SER 129 19.298 8.799 -9.189 253 H LEU 130 H LEU 130 23.246 10.396 -10.735 254 HA LEU 130 HA LEU 130 25.346 10.443 -11.606 255 HB2 LEU 130 2HB LEU 130 26.198 8.910 -9.162 256 HB3 LEU 130 3HB LEU 130 27.198 9.931 -10.193 257 HG LEU 130 HG LEU 130 24.905 11.147 -8.717 258 HD11 LEU 130 1HD1 LEU 130 26.360 9.675 -7.182 259 HD12 LEU 130 2HD1 LEU 130 26.055 11.347 -6.712 260 HD13 LEU 130 3HD1 LEU 130 27.600 10.902 -7.437 261 HD21 LEU 130 3HD2 LEU 130 26.965 12.874 -8.592 262 HD22 LEU 130 1HD2 LEU 130 25.818 12.814 -9.932 263 HD23 LEU 130 2HD2 LEU 130 27.380 12.005 -10.072 264 H ASN 131 H ASN 131 23.495 7.982 -11.748 265 HA ASN 131 HA ASN 131 25.529 6.135 -12.817 266 HB2 ASN 131 2HB ASN 131 24.358 5.244 -10.813 267 HB3 ASN 131 3HB ASN 131 22.829 5.391 -11.673 268 HD21 ASN 131 1HD2 ASN 131 22.262 3.879 -13.153 269 HD22 ASN 131 2HD2 ASN 131 23.189 2.458 -13.480 270 H CYS 132 H CYS 132 22.438 7.698 -13.276 271 HA CYS 132 HA CYS 132 22.056 6.419 -15.869 272 HB2 CYS 132 2HB CYS 132 20.317 8.502 -14.539 273 HB3 CYS 132 3HB CYS 132 19.885 7.461 -15.891
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