NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
478199 | 2l1j | 17086 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 93 H CYS 93 1.807 0.001 0.856 2 HA CYS 93 HA CYS 93 2.404 1.014 -1.440 3 HB2 CYS 93 2HB CYS 93 3.673 -0.853 -0.072 4 HB3 CYS 93 3HB CYS 93 3.078 -1.898 -1.359 5 H VAL 94 H VAL 94 0.847 -2.196 -1.440 6 HA VAL 94 HA VAL 94 -0.148 -1.604 -4.152 7 HB VAL 94 HB VAL 94 1.438 -3.693 -3.506 8 HG11 VAL 94 1HG1 VAL 94 0.264 -5.669 -3.101 9 HG12 VAL 94 2HG1 VAL 94 -0.493 -4.501 -2.017 10 HG13 VAL 94 3HG1 VAL 94 -1.286 -4.946 -3.528 11 HG21 VAL 94 3HG2 VAL 94 1.149 -3.391 -5.749 12 HG22 VAL 94 1HG2 VAL 94 0.147 -4.825 -5.527 13 HG23 VAL 94 2HG2 VAL 94 -0.602 -3.231 -5.616 14 H ALA 95 H ALA 95 -2.199 -2.856 -4.677 15 HA ALA 95 HA ALA 95 -4.229 -2.085 -2.863 16 HB1 ALA 95 1HB ALA 95 -5.662 -3.549 -4.455 17 HB2 ALA 95 2HB ALA 95 -4.920 -2.071 -5.069 18 HB3 ALA 95 3HB ALA 95 -4.187 -3.637 -5.418 19 H THR 96 H THR 96 -3.967 -5.372 -4.154 20 HA THR 96 HA THR 96 -3.440 -6.725 -1.774 21 HB THR 96 HB THR 96 -6.077 -7.574 -1.842 22 HG1 THR 96 HG1 THR 96 -7.141 -5.921 -2.637 23 HG21 THR 96 3HG2 THR 96 -5.410 -5.459 0.113 24 HG22 THR 96 1HG2 THR 96 -4.301 -6.827 0.038 25 HG23 THR 96 2HG2 THR 96 -6.011 -7.096 0.375 26 H ARG 97 H ARG 97 -2.758 -8.657 -2.412 27 HA ARG 97 HA ARG 97 -2.344 -10.458 -3.748 28 HB2 ARG 97 2HB ARG 97 -4.708 -10.847 -2.758 29 HB3 ARG 97 3HB ARG 97 -5.281 -10.491 -4.382 30 HG2 ARG 97 2HG ARG 97 -3.312 -12.335 -4.847 31 HG3 ARG 97 3HG ARG 97 -4.011 -12.890 -3.324 32 HD2 ARG 97 2HD ARG 97 -5.120 -13.895 -5.271 33 HD3 ARG 97 3HD ARG 97 -6.224 -12.907 -4.316 34 HE ARG 97 HE ARG 97 -5.164 -11.302 -6.336 35 HH11 ARG 97 1HH1 ARG 97 -7.226 -14.086 -5.995 36 HH12 ARG 97 2HH1 ARG 97 -8.135 -13.751 -7.432 37 HH21 ARG 97 1HH2 ARG 97 -6.354 -10.850 -8.229 38 HH22 ARG 97 2HH2 ARG 97 -7.638 -11.910 -8.702 39 H ASN 98 H ASN 98 -1.965 -8.004 -5.048 40 HA ASN 98 HA ASN 98 -2.779 -8.676 -7.800 41 HB2 ASN 98 2HB ASN 98 -3.052 -6.202 -6.312 42 HB3 ASN 98 3HB ASN 98 -2.106 -5.960 -7.778 43 HD21 ASN 98 1HD2 ASN 98 -3.677 -4.768 -8.799 44 HD22 ASN 98 2HD2 ASN 98 -5.153 -5.459 -9.373 45 H SER 99 H SER 99 -0.389 -6.554 -6.213 46 HA SER 99 HA SER 99 1.842 -8.025 -7.208 47 HB2 SER 99 2HB SER 99 0.956 -5.550 -8.668 48 HB3 SER 99 3HB SER 99 2.661 -5.996 -8.610 49 HG SER 99 HG SER 99 2.054 -7.111 -10.318 50 H CYS 100 H CYS 100 1.957 -7.742 -4.815 51 HA CYS 100 HA CYS 100 2.230 -5.576 -3.294 52 HB2 CYS 100 2HB CYS 100 3.573 -8.173 -3.344 53 HB3 CYS 100 3HB CYS 100 4.524 -6.923 -2.550 54 H LYS 101 H LYS 101 4.775 -6.707 -5.499 55 HA LYS 101 HA LYS 101 5.818 -3.970 -5.591 56 HB2 LYS 101 2HB LYS 101 8.063 -4.618 -5.241 57 HB3 LYS 101 3HB LYS 101 7.143 -5.415 -3.971 58 HG2 LYS 101 2HG LYS 101 8.220 -7.263 -4.583 59 HG3 LYS 101 3HG LYS 101 7.132 -7.286 -5.973 60 HD2 LYS 101 2HD LYS 101 9.399 -7.522 -6.749 61 HD3 LYS 101 3HD LYS 101 8.794 -5.935 -7.229 62 HE2 LYS 101 2HE LYS 101 10.480 -4.955 -6.169 63 HE3 LYS 101 3HE LYS 101 9.986 -5.709 -4.654 64 HZ1 LYS 101 3HZ LYS 101 11.324 -7.613 -5.156 65 HZ2 LYS 101 1HZ LYS 101 12.289 -6.232 -5.311 66 HZ3 LYS 101 2HZ LYS 101 11.705 -7.015 -6.691 67 HA PRO 102 HA PRO 102 5.961 -4.642 -9.931 68 HB2 PRO 102 2HB PRO 102 7.944 -2.923 -10.625 69 HB3 PRO 102 3HB PRO 102 6.334 -2.384 -10.133 70 HG2 PRO 102 2HG PRO 102 8.858 -2.524 -8.529 71 HG3 PRO 102 3HG PRO 102 7.636 -1.239 -8.583 72 HD2 PRO 102 2HD PRO 102 7.738 -3.068 -6.589 73 HD3 PRO 102 3HD PRO 102 6.213 -2.358 -7.157 74 H ALA 103 H ALA 103 6.934 -6.859 -9.144 75 HA ALA 103 HA ALA 103 8.785 -7.746 -10.930 76 HB1 ALA 103 1HB ALA 103 10.071 -6.304 -8.744 77 HB2 ALA 103 2HB ALA 103 10.708 -7.931 -8.986 78 HB3 ALA 103 3HB ALA 103 10.705 -6.777 -10.320 79 H ALA 104 H ALA 104 7.475 -7.963 -7.722 80 HA ALA 104 HA ALA 104 6.911 -10.730 -7.997 81 HB1 ALA 104 1HB ALA 104 8.407 -11.755 -6.574 82 HB2 ALA 104 2HB ALA 104 9.437 -10.575 -7.386 83 HB3 ALA 104 3HB ALA 104 8.832 -10.248 -5.762 84 H ALA 105 H ALA 105 7.141 -11.112 -5.026 85 HA ALA 105 HA ALA 105 4.825 -9.454 -4.266 86 HB1 ALA 105 1HB ALA 105 4.669 -12.060 -4.515 87 HB2 ALA 105 2HB ALA 105 5.399 -12.044 -2.909 88 HB3 ALA 105 3HB ALA 105 3.859 -11.231 -3.185 89 H ALA 106 H ALA 106 6.027 -7.782 -3.344 90 HA ALA 106 HA ALA 106 7.015 -8.360 -0.673 91 HB1 ALA 106 1HB ALA 106 8.766 -6.882 -2.629 92 HB2 ALA 106 2HB ALA 106 9.146 -7.303 -0.959 93 HB3 ALA 106 3HB ALA 106 8.989 -8.572 -2.174 94 H CYS 107 H CYS 107 5.029 -7.188 -0.229 95 HA CYS 107 HA CYS 107 4.423 -4.617 -1.055 96 HB2 CYS 107 2HB CYS 107 3.899 -5.895 1.637 97 HB3 CYS 107 3HB CYS 107 3.117 -4.431 1.049 98 H CYS 108 H CYS 108 4.465 -2.622 0.338 99 HA CYS 108 HA CYS 108 7.043 -2.389 1.746 100 HB2 CYS 108 2HB CYS 108 6.050 0.068 0.483 101 HB3 CYS 108 3HB CYS 108 7.675 -0.611 0.505 102 H ASP 109 H ASP 109 3.670 -1.697 1.661 103 HA ASP 109 HA ASP 109 3.363 0.417 3.386 104 HB2 ASP 109 2HB ASP 109 1.666 -1.378 2.222 105 HB3 ASP 109 3HB ASP 109 1.523 -1.820 3.921 106 HA PRO 110 HA PRO 110 5.252 -1.009 7.134 107 HB2 PRO 110 2HB PRO 110 4.446 1.056 8.701 108 HB3 PRO 110 3HB PRO 110 5.759 1.197 7.526 109 HG2 PRO 110 2HG PRO 110 2.896 2.035 7.277 110 HG3 PRO 110 3HG PRO 110 4.362 2.900 6.779 111 HD2 PRO 110 2HD PRO 110 2.815 1.528 5.031 112 HD3 PRO 110 3HD PRO 110 4.573 1.679 4.835 113 H ALA 111 H ALA 111 1.932 0.287 7.280 114 HA ALA 111 HA ALA 111 1.240 -1.139 9.642 115 HB1 ALA 111 1HB ALA 111 -0.613 0.041 7.577 116 HB2 ALA 111 2HB ALA 111 -1.007 -0.368 9.248 117 HB3 ALA 111 3HB ALA 111 0.121 0.943 8.903 118 H ALA 112 H ALA 112 1.032 -1.829 6.218 119 HA ALA 112 HA ALA 112 -0.534 -4.243 6.684 120 HB1 ALA 112 1HB ALA 112 0.568 -3.584 4.004 121 HB2 ALA 112 2HB ALA 112 -0.996 -4.267 4.449 122 HB3 ALA 112 3HB ALA 112 -0.692 -2.544 4.669 123 H SER 113 H SER 113 0.253 -6.215 5.348 124 HA SER 113 HA SER 113 3.063 -6.587 5.052 125 HB2 SER 113 2HB SER 113 1.754 -7.396 7.596 126 HB3 SER 113 3HB SER 113 2.894 -8.538 6.884 127 HG SER 113 HG SER 113 3.770 -6.903 8.382 128 H CYS 114 H CYS 114 3.122 -7.840 3.319 129 HA CYS 114 HA CYS 114 0.996 -9.380 2.360 130 HB2 CYS 114 2HB CYS 114 3.955 -9.551 1.761 131 HB3 CYS 114 3HB CYS 114 2.715 -10.410 0.852 132 H TYR 115 H TYR 115 1.807 -11.848 1.682 133 HA TYR 115 HA TYR 115 2.465 -13.211 4.202 134 HB2 TYR 115 2HB TYR 115 0.047 -13.304 3.976 135 HB3 TYR 115 3HB TYR 115 0.194 -13.911 2.331 136 HD1 TYR 115 HD1 TYR 115 1.098 -16.207 1.945 137 HD2 TYR 115 HD2 TYR 115 0.187 -14.766 5.843 138 HE1 TYR 115 HE1 TYR 115 1.093 -18.517 2.792 139 HE2 TYR 115 HE2 TYR 115 0.180 -17.071 6.701 140 HH TYR 115 HH TYR 115 1.518 -19.465 5.553 141 H CYS 116 H CYS 116 4.225 -14.386 3.893 142 HA CYS 116 HA CYS 116 5.178 -15.085 1.296 143 HB2 CYS 116 2HB CYS 116 6.135 -16.082 3.988 144 HB3 CYS 116 3HB CYS 116 7.023 -16.153 2.469 145 H ARG 117 H ARG 117 4.565 -16.753 0.105 146 HA ARG 117 HA ARG 117 3.282 -19.043 1.429 147 HB2 ARG 117 2HB ARG 117 2.926 -19.290 -1.336 148 HB3 ARG 117 3HB ARG 117 1.729 -18.780 -0.153 149 HG2 ARG 117 2HG ARG 117 1.675 -17.080 -1.716 150 HG3 ARG 117 3HG ARG 117 2.742 -16.432 -0.469 151 HD2 ARG 117 2HD ARG 117 4.011 -15.973 -2.303 152 HD3 ARG 117 3HD ARG 117 4.587 -17.604 -1.965 153 HE ARG 117 HE ARG 117 3.710 -18.255 -3.962 154 HH11 ARG 117 1HH1 ARG 117 2.095 -15.343 -2.945 155 HH12 ARG 117 2HH1 ARG 117 1.166 -15.194 -4.400 156 HH21 ARG 117 1HH2 ARG 117 2.493 -18.070 -5.883 157 HH22 ARG 117 2HH2 ARG 117 1.393 -16.747 -6.070 158 H PHE 118 H PHE 118 5.902 -18.102 -0.679 159 HA PHE 118 HA PHE 118 7.889 -19.231 -1.028 160 HB2 PHE 118 2HB PHE 118 7.005 -20.695 1.001 161 HB3 PHE 118 3HB PHE 118 6.727 -21.875 -0.276 162 HD1 PHE 118 HD2 PHE 118 9.381 -19.613 1.033 163 HD2 PHE 118 HD1 PHE 118 8.435 -23.296 -0.880 164 HE1 PHE 118 HE2 PHE 118 11.751 -20.269 1.129 165 HE2 PHE 118 HE1 PHE 118 10.802 -23.957 -0.786 166 HZ PHE 118 HZ PHE 118 12.464 -22.443 0.219 167 H PHE 119 H PHE 119 4.810 -20.642 -1.937 168 HA PHE 119 HA PHE 119 5.436 -22.364 -3.944 169 HB2 PHE 119 2HB PHE 119 3.126 -21.333 -3.090 170 HB3 PHE 119 3HB PHE 119 3.296 -20.389 -4.567 171 HD1 PHE 119 HD1 PHE 119 3.788 -23.947 -3.539 172 HD2 PHE 119 HD2 PHE 119 2.157 -21.216 -6.366 173 HE1 PHE 119 HE1 PHE 119 2.893 -25.834 -4.840 174 HE2 PHE 119 HE2 PHE 119 1.258 -23.098 -7.671 175 HZ PHE 119 HZ PHE 119 1.625 -25.410 -6.909 176 H ARG 120 H ARG 120 5.492 -18.842 -4.098 177 HA ARG 120 HA ARG 120 6.687 -19.035 -6.785 178 HB2 ARG 120 2HB ARG 120 5.686 -17.046 -7.399 179 HB3 ARG 120 3HB ARG 120 4.458 -17.735 -6.345 180 HG2 ARG 120 2HG ARG 120 4.489 -15.712 -5.388 181 HG3 ARG 120 3HG ARG 120 5.920 -16.327 -4.559 182 HD2 ARG 120 2HD ARG 120 7.201 -14.803 -5.543 183 HD3 ARG 120 3HD ARG 120 6.655 -15.321 -7.138 184 HE ARG 120 HE ARG 120 5.836 -12.989 -5.730 185 HH11 ARG 120 1HH1 ARG 120 4.723 -15.445 -7.932 186 HH12 ARG 120 2HH1 ARG 120 3.506 -14.439 -8.645 187 HH21 ARG 120 1HH2 ARG 120 4.238 -11.654 -6.661 188 HH22 ARG 120 2HH2 ARG 120 3.232 -12.282 -7.922 189 H SER 121 H SER 121 7.406 -18.511 -3.596 190 HA SER 121 HA SER 121 9.373 -17.913 -2.589 191 HB2 SER 121 2HB SER 121 10.494 -16.790 -5.128 192 HB3 SER 121 3HB SER 121 11.317 -17.645 -3.823 193 HG SER 121 HG SER 121 10.713 -18.711 -6.022 194 H ALA 122 H ALA 122 7.375 -16.295 -2.170 195 HA ALA 122 HA ALA 122 8.532 -13.797 -1.634 196 HB1 ALA 122 1HB ALA 122 8.150 -13.704 -4.180 197 HB2 ALA 122 2HB ALA 122 6.446 -13.515 -3.765 198 HB3 ALA 122 3HB ALA 122 7.627 -12.334 -3.199 199 H CYS 123 H CYS 123 6.586 -12.110 -1.225 200 HA CYS 123 HA CYS 123 4.476 -13.610 0.184 201 HB2 CYS 123 2HB CYS 123 5.537 -10.961 1.139 202 HB3 CYS 123 3HB CYS 123 4.602 -12.156 2.033 203 H TYR 124 H TYR 124 2.597 -13.273 -0.791 204 HA TYR 124 HA TYR 124 2.129 -10.863 -2.331 205 HB2 TYR 124 2HB TYR 124 0.147 -11.945 -3.130 206 HB3 TYR 124 3HB TYR 124 1.431 -13.150 -3.112 207 HD1 TYR 124 HD1 TYR 124 1.508 -14.795 -1.182 208 HD2 TYR 124 HD2 TYR 124 -1.850 -12.294 -1.939 209 HE1 TYR 124 HE1 TYR 124 0.102 -16.280 0.184 210 HE2 TYR 124 HE2 TYR 124 -3.265 -13.771 -0.574 211 HH TYR 124 HH TYR 124 -2.758 -15.470 1.430 212 H CYS 125 H CYS 125 0.550 -9.330 -1.928 213 HA CYS 125 HA CYS 125 0.011 -8.768 0.799 214 HB2 CYS 125 2HB CYS 125 -0.490 -7.489 -1.802 215 HB3 CYS 125 3HB CYS 125 -1.705 -7.138 -0.577 216 H ARG 126 H ARG 126 -1.088 -10.667 1.515 217 HA ARG 126 HA ARG 126 -3.444 -11.693 0.444 218 HB2 ARG 126 2HB ARG 126 -3.870 -12.461 2.853 219 HB3 ARG 126 3HB ARG 126 -2.390 -13.008 2.077 220 HG2 ARG 126 2HG ARG 126 -1.048 -11.718 3.408 221 HG3 ARG 126 3HG ARG 126 -2.311 -10.524 3.711 222 HD2 ARG 126 2HD ARG 126 -3.256 -11.750 5.396 223 HD3 ARG 126 3HD ARG 126 -2.722 -13.289 4.722 224 HE ARG 126 HE ARG 126 -0.404 -12.142 5.469 225 HH11 ARG 126 1HH1 ARG 126 -3.424 -12.649 7.125 226 HH12 ARG 126 2HH1 ARG 126 -2.694 -12.779 8.691 227 HH21 ARG 126 1HH2 ARG 126 0.569 -12.312 7.525 228 HH22 ARG 126 2HH2 ARG 126 -0.422 -12.586 8.917 Start of MODEL 2 1 H1 CYS 93 H CYS 93 1.839 0.051 0.837 2 HA CYS 93 HA CYS 93 2.419 1.077 -1.471 3 HB2 CYS 93 2HB CYS 93 3.703 -0.774 -0.094 4 HB3 CYS 93 3HB CYS 93 3.110 -1.831 -1.371 5 H VAL 94 H VAL 94 0.887 -2.146 -1.440 6 HA VAL 94 HA VAL 94 -0.129 -1.581 -4.150 7 HB VAL 94 HB VAL 94 1.475 -3.652 -3.502 8 HG11 VAL 94 1HG1 VAL 94 -1.238 -4.928 -3.479 9 HG12 VAL 94 2HG1 VAL 94 0.324 -5.632 -3.056 10 HG13 VAL 94 3HG1 VAL 94 -0.435 -4.456 -1.982 11 HG21 VAL 94 3HG2 VAL 94 -0.585 -3.221 -5.594 12 HG22 VAL 94 1HG2 VAL 94 1.164 -3.389 -5.742 13 HG23 VAL 94 2HG2 VAL 94 0.159 -4.816 -5.495 14 H ALA 95 H ALA 95 -2.174 -2.846 -4.655 15 HA ALA 95 HA ALA 95 -4.200 -2.072 -2.838 16 HB1 ALA 95 1HB ALA 95 -4.708 -2.120 -5.166 17 HB2 ALA 95 2HB ALA 95 -4.277 -3.826 -5.285 18 HB3 ALA 95 3HB ALA 95 -5.711 -3.340 -4.380 19 H THR 96 H THR 96 -3.943 -5.368 -4.103 20 HA THR 96 HA THR 96 -3.388 -6.700 -1.716 21 HB THR 96 HB THR 96 -6.022 -7.555 -1.751 22 HG1 THR 96 HG1 THR 96 -6.279 -5.425 -2.974 23 HG21 THR 96 3HG2 THR 96 -4.228 -6.783 0.104 24 HG22 THR 96 1HG2 THR 96 -5.932 -7.062 0.461 25 HG23 THR 96 2HG2 THR 96 -5.347 -5.422 0.180 26 H ARG 97 H ARG 97 -2.726 -8.648 -2.330 27 HA ARG 97 HA ARG 97 -2.320 -10.460 -3.655 28 HB2 ARG 97 2HB ARG 97 -4.667 -10.849 -2.648 29 HB3 ARG 97 3HB ARG 97 -5.265 -10.479 -4.260 30 HG2 ARG 97 2HG ARG 97 -3.309 -12.332 -4.761 31 HG3 ARG 97 3HG ARG 97 -4.003 -12.894 -3.239 32 HD2 ARG 97 2HD ARG 97 -5.129 -13.869 -5.196 33 HD3 ARG 97 3HD ARG 97 -6.219 -12.894 -4.212 34 HE ARG 97 HE ARG 97 -5.173 -11.260 -6.218 35 HH11 ARG 97 1HH1 ARG 97 -7.251 -14.034 -5.893 36 HH12 ARG 97 2HH1 ARG 97 -8.178 -13.669 -7.311 37 HH21 ARG 97 1HH2 ARG 97 -6.385 -10.769 -8.087 38 HH22 ARG 97 2HH2 ARG 97 -7.684 -11.813 -8.559 39 H ASN 98 H ASN 98 -2.036 -7.951 -4.966 40 HA ASN 98 HA ASN 98 -2.848 -8.656 -7.711 41 HB2 ASN 98 2HB ASN 98 -3.032 -6.162 -6.228 42 HB3 ASN 98 3HB ASN 98 -2.141 -5.959 -7.734 43 HD21 ASN 98 1HD2 ASN 98 -5.091 -5.723 -6.426 44 HD22 ASN 98 2HD2 ASN 98 -6.073 -6.017 -7.817 45 H SER 99 H SER 99 -0.405 -6.553 -6.182 46 HA SER 99 HA SER 99 1.795 -8.067 -7.170 47 HB2 SER 99 2HB SER 99 0.788 -6.742 -9.205 48 HB3 SER 99 3HB SER 99 1.623 -5.372 -8.472 49 HG SER 99 HG SER 99 3.130 -6.230 -9.764 50 H CYS 100 H CYS 100 1.985 -7.733 -4.804 51 HA CYS 100 HA CYS 100 2.284 -5.534 -3.332 52 HB2 CYS 100 2HB CYS 100 3.670 -8.121 -3.374 53 HB3 CYS 100 3HB CYS 100 4.583 -6.840 -2.584 54 H LYS 101 H LYS 101 4.768 -6.698 -5.587 55 HA LYS 101 HA LYS 101 5.794 -3.964 -5.774 56 HB2 LYS 101 2HB LYS 101 8.049 -4.569 -5.421 57 HB3 LYS 101 3HB LYS 101 7.154 -5.342 -4.119 58 HG2 LYS 101 2HG LYS 101 8.271 -7.182 -4.690 59 HG3 LYS 101 3HG LYS 101 7.147 -7.278 -6.047 60 HD2 LYS 101 2HD LYS 101 9.390 -7.497 -6.884 61 HD3 LYS 101 3HD LYS 101 8.747 -5.934 -7.394 62 HE2 LYS 101 2HE LYS 101 11.103 -5.869 -6.561 63 HE3 LYS 101 3HE LYS 101 9.996 -4.790 -5.714 64 HZ1 LYS 101 3HZ LYS 101 11.618 -6.240 -4.363 65 HZ2 LYS 101 1HZ LYS 101 10.518 -7.491 -4.662 66 HZ3 LYS 101 2HZ LYS 101 10.016 -6.103 -3.836 67 HA PRO 102 HA PRO 102 5.881 -4.800 -10.087 68 HB2 PRO 102 2HB PRO 102 7.816 -3.068 -10.876 69 HB3 PRO 102 3HB PRO 102 6.202 -2.544 -10.381 70 HG2 PRO 102 2HG PRO 102 8.750 -2.569 -8.810 71 HG3 PRO 102 3HG PRO 102 7.501 -1.314 -8.895 72 HD2 PRO 102 2HD PRO 102 7.670 -3.063 -6.835 73 HD3 PRO 102 3HD PRO 102 6.122 -2.408 -7.406 74 H ALA 103 H ALA 103 6.919 -6.962 -9.218 75 HA ALA 103 HA ALA 103 8.765 -7.875 -11.001 76 HB1 ALA 103 1HB ALA 103 10.684 -6.880 -10.451 77 HB2 ALA 103 2HB ALA 103 10.044 -6.309 -8.909 78 HB3 ALA 103 3HB ALA 103 10.698 -7.942 -9.042 79 H ALA 104 H ALA 104 7.459 -8.010 -7.795 80 HA ALA 104 HA ALA 104 6.965 -10.796 -7.962 81 HB1 ALA 104 1HB ALA 104 8.929 -10.144 -5.795 82 HB2 ALA 104 2HB ALA 104 8.467 -11.718 -6.444 83 HB3 ALA 104 3HB ALA 104 9.472 -10.630 -7.401 84 H ALA 105 H ALA 105 7.181 -11.108 -5.002 85 HA ALA 105 HA ALA 105 4.869 -9.433 -4.268 86 HB1 ALA 105 1HB ALA 105 4.687 -12.035 -4.493 87 HB2 ALA 105 2HB ALA 105 5.427 -12.017 -2.892 88 HB3 ALA 105 3HB ALA 105 3.892 -11.193 -3.163 89 H ALA 106 H ALA 106 6.067 -7.759 -3.353 90 HA ALA 106 HA ALA 106 7.045 -8.314 -0.675 91 HB1 ALA 106 1HB ALA 106 8.854 -6.689 -2.408 92 HB2 ALA 106 2HB ALA 106 9.213 -7.575 -0.925 93 HB3 ALA 106 3HB ALA 106 8.961 -8.450 -2.436 94 H CYS 107 H CYS 107 5.083 -7.119 -0.231 95 HA CYS 107 HA CYS 107 4.497 -4.551 -1.097 96 HB2 CYS 107 2HB CYS 107 3.948 -5.817 1.596 97 HB3 CYS 107 3HB CYS 107 3.200 -4.330 1.020 98 H CYS 108 H CYS 108 4.550 -2.543 0.280 99 HA CYS 108 HA CYS 108 7.129 -2.318 1.688 100 HB2 CYS 108 2HB CYS 108 6.187 0.152 0.439 101 HB3 CYS 108 3HB CYS 108 7.783 -0.590 0.402 102 H ASP 109 H ASP 109 3.760 -1.637 1.617 103 HA ASP 109 HA ASP 109 3.465 0.504 3.320 104 HB2 ASP 109 2HB ASP 109 1.771 -1.354 2.194 105 HB3 ASP 109 3HB ASP 109 1.598 -1.673 3.918 106 HA PRO 110 HA PRO 110 5.352 -0.902 7.076 107 HB2 PRO 110 2HB PRO 110 4.555 1.177 8.629 108 HB3 PRO 110 3HB PRO 110 5.867 1.306 7.452 109 HG2 PRO 110 2HG PRO 110 3.006 2.151 7.200 110 HG3 PRO 110 3HG PRO 110 4.474 3.008 6.695 111 HD2 PRO 110 2HD PRO 110 2.921 1.628 4.958 112 HD3 PRO 110 3HD PRO 110 4.679 1.773 4.760 113 H ALA 111 H ALA 111 2.052 0.442 7.263 114 HA ALA 111 HA ALA 111 1.355 -0.978 9.620 115 HB1 ALA 111 1HB ALA 111 0.251 1.110 8.850 116 HB2 ALA 111 2HB ALA 111 -0.515 0.181 7.560 117 HB3 ALA 111 3HB ALA 111 -0.878 -0.185 9.247 118 H ALA 112 H ALA 112 1.216 -1.726 6.218 119 HA ALA 112 HA ALA 112 -0.380 -4.125 6.708 120 HB1 ALA 112 1HB ALA 112 -0.582 -2.437 4.691 121 HB2 ALA 112 2HB ALA 112 0.680 -3.465 4.010 122 HB3 ALA 112 3HB ALA 112 -0.870 -4.165 4.478 123 H SER 113 H SER 113 0.404 -6.088 5.333 124 HA SER 113 HA SER 113 3.204 -6.454 4.999 125 HB2 SER 113 2HB SER 113 3.495 -6.641 7.303 126 HB3 SER 113 3HB SER 113 1.922 -7.401 7.542 127 HG SER 113 HG SER 113 4.350 -8.531 6.934 128 H CYS 114 H CYS 114 3.241 -7.738 3.289 129 HA CYS 114 HA CYS 114 1.101 -9.292 2.386 130 HB2 CYS 114 2HB CYS 114 4.050 -9.469 1.742 131 HB3 CYS 114 3HB CYS 114 2.798 -10.343 0.866 132 H TYR 115 H TYR 115 1.888 -11.769 1.733 133 HA TYR 115 HA TYR 115 2.592 -13.096 4.260 134 HB2 TYR 115 2HB TYR 115 0.171 -13.193 4.073 135 HB3 TYR 115 3HB TYR 115 0.293 -13.823 2.434 136 HD1 TYR 115 HD2 TYR 115 1.208 -16.123 2.070 137 HD2 TYR 115 HD1 TYR 115 0.328 -14.629 5.955 138 HE1 TYR 115 HE2 TYR 115 1.216 -18.420 2.948 139 HE2 TYR 115 HE1 TYR 115 0.334 -16.922 6.845 140 HH TYR 115 HH TYR 115 -0.124 -19.387 5.581 141 H CYS 116 H CYS 116 4.350 -14.271 3.940 142 HA CYS 116 HA CYS 116 5.266 -15.007 1.341 143 HB2 CYS 116 2HB CYS 116 6.259 -15.970 4.032 144 HB3 CYS 116 3HB CYS 116 7.126 -16.061 2.502 145 H ARG 117 H ARG 117 4.635 -16.690 0.180 146 HA ARG 117 HA ARG 117 3.372 -18.962 1.551 147 HB2 ARG 117 2HB ARG 117 2.972 -19.244 -1.204 148 HB3 ARG 117 3HB ARG 117 1.794 -18.717 -0.009 149 HG2 ARG 117 2HG ARG 117 1.718 -17.037 -1.594 150 HG3 ARG 117 3HG ARG 117 2.806 -16.374 -0.373 151 HD2 ARG 117 2HD ARG 117 4.045 -15.942 -2.233 152 HD3 ARG 117 3HD ARG 117 4.625 -17.570 -1.882 153 HE ARG 117 HE ARG 117 3.713 -18.247 -3.855 154 HH11 ARG 117 1HH1 ARG 117 2.125 -15.315 -2.856 155 HH12 ARG 117 2HH1 ARG 117 1.175 -15.184 -4.299 156 HH21 ARG 117 1HH2 ARG 117 2.468 -18.085 -5.759 157 HH22 ARG 117 2HH2 ARG 117 1.370 -16.761 -5.949 158 H PHE 118 H PHE 118 5.959 -18.047 -0.607 159 HA PHE 118 HA PHE 118 7.940 -19.181 -0.974 160 HB2 PHE 118 2HB PHE 118 7.086 -20.621 1.086 161 HB3 PHE 118 3HB PHE 118 6.792 -21.816 -0.173 162 HD1 PHE 118 HD1 PHE 118 9.517 -19.378 0.594 163 HD2 PHE 118 HD2 PHE 118 8.438 -23.396 -0.306 164 HE1 PHE 118 HE1 PHE 118 11.889 -20.027 0.665 165 HE2 PHE 118 HE2 PHE 118 10.808 -24.052 -0.235 166 HZ PHE 118 HZ PHE 118 12.537 -22.367 0.252 167 H PHE 119 H PHE 119 4.845 -20.589 -1.823 168 HA PHE 119 HA PHE 119 5.440 -22.340 -3.817 169 HB2 PHE 119 2HB PHE 119 3.144 -21.285 -2.939 170 HB3 PHE 119 3HB PHE 119 3.293 -20.376 -4.440 171 HD1 PHE 119 HD1 PHE 119 3.657 -21.724 -6.592 172 HD2 PHE 119 HD2 PHE 119 2.261 -23.427 -2.949 173 HE1 PHE 119 HE1 PHE 119 2.737 -23.633 -7.841 174 HE2 PHE 119 HE2 PHE 119 1.340 -25.339 -4.193 175 HZ PHE 119 HZ PHE 119 1.578 -25.445 -6.642 176 H ARG 120 H ARG 120 5.494 -18.820 -4.014 177 HA ARG 120 HA ARG 120 6.649 -19.045 -6.716 178 HB2 ARG 120 2HB ARG 120 5.641 -17.061 -7.338 179 HB3 ARG 120 3HB ARG 120 4.428 -17.739 -6.260 180 HG2 ARG 120 2HG ARG 120 4.473 -15.705 -5.325 181 HG3 ARG 120 3HG ARG 120 5.913 -16.314 -4.507 182 HD2 ARG 120 2HD ARG 120 7.192 -14.812 -5.531 183 HD3 ARG 120 3HD ARG 120 6.605 -15.329 -7.112 184 HE ARG 120 HE ARG 120 5.851 -12.982 -5.705 185 HH11 ARG 120 1HH1 ARG 120 4.615 -15.457 -7.818 186 HH12 ARG 120 2HH1 ARG 120 3.378 -14.448 -8.491 187 HH21 ARG 120 1HH2 ARG 120 4.227 -11.643 -6.584 188 HH22 ARG 120 2HH2 ARG 120 3.159 -12.279 -7.789 189 H SER 121 H SER 121 7.426 -18.499 -3.550 190 HA SER 121 HA SER 121 9.408 -17.890 -2.580 191 HB2 SER 121 2HB SER 121 10.492 -16.779 -5.139 192 HB3 SER 121 3HB SER 121 11.329 -17.644 -3.849 193 HG SER 121 HG SER 121 9.975 -18.618 -6.053 194 H ALA 122 H ALA 122 7.412 -16.268 -2.149 195 HA ALA 122 HA ALA 122 8.576 -13.768 -1.644 196 HB1 ALA 122 1HB ALA 122 8.162 -13.695 -4.187 197 HB2 ALA 122 2HB ALA 122 6.464 -13.494 -3.750 198 HB3 ALA 122 3HB ALA 122 7.660 -12.315 -3.210 199 H CYS 123 H CYS 123 6.632 -12.076 -1.231 200 HA CYS 123 HA CYS 123 4.538 -13.564 0.215 201 HB2 CYS 123 2HB CYS 123 5.596 -10.904 1.141 202 HB3 CYS 123 3HB CYS 123 4.692 -12.108 2.055 203 H TYR 124 H TYR 124 2.646 -13.231 -0.735 204 HA TYR 124 HA TYR 124 2.162 -10.837 -2.294 205 HB2 TYR 124 2HB TYR 124 0.168 -11.924 -3.055 206 HB3 TYR 124 3HB TYR 124 1.450 -13.130 -3.042 207 HD1 TYR 124 HD2 TYR 124 1.552 -14.752 -1.091 208 HD2 TYR 124 HD1 TYR 124 -1.814 -12.260 -1.838 209 HE1 TYR 124 HE2 TYR 124 0.161 -16.221 0.308 210 HE2 TYR 124 HE1 TYR 124 -3.214 -13.721 -0.441 211 HH TYR 124 HH TYR 124 -3.313 -15.631 0.704 212 H CYS 125 H CYS 125 0.592 -9.296 -1.886 213 HA CYS 125 HA CYS 125 0.089 -8.706 0.843 214 HB2 CYS 125 2HB CYS 125 -0.418 -7.447 -1.760 215 HB3 CYS 125 3HB CYS 125 -1.649 -7.099 -0.551 216 H ARG 126 H ARG 126 -1.004 -10.595 1.592 217 HA ARG 126 HA ARG 126 -3.372 -11.633 0.565 218 HB2 ARG 126 2HB ARG 126 -3.772 -12.363 2.991 219 HB3 ARG 126 3HB ARG 126 -2.304 -12.926 2.205 220 HG2 ARG 126 2HG ARG 126 -0.941 -11.590 3.483 221 HG3 ARG 126 3HG ARG 126 -2.222 -10.425 3.822 222 HD2 ARG 126 2HD ARG 126 -1.563 -11.832 5.775 223 HD3 ARG 126 3HD ARG 126 -3.273 -11.921 5.357 224 HE ARG 126 HE ARG 126 -1.662 -13.986 4.162 225 HH11 ARG 126 1HH1 ARG 126 -3.520 -13.037 6.949 226 HH12 ARG 126 2HH1 ARG 126 -3.828 -14.663 7.460 227 HH21 ARG 126 1HH2 ARG 126 -2.061 -16.132 4.825 228 HH22 ARG 126 2HH2 ARG 126 -2.997 -16.423 6.252 Start of MODEL 3 1 H1 CYS 93 H CYS 93 1.816 -0.003 0.870 2 HA CYS 93 HA CYS 93 2.418 1.015 -1.430 3 HB2 CYS 93 2HB CYS 93 3.680 -0.850 -0.049 4 HB3 CYS 93 3HB CYS 93 3.093 -1.896 -1.338 5 H VAL 94 H VAL 94 0.852 -2.190 -1.413 6 HA VAL 94 HA VAL 94 -0.141 -1.610 -4.128 7 HB VAL 94 HB VAL 94 1.456 -3.690 -3.486 8 HG11 VAL 94 1HG1 VAL 94 -0.462 -4.503 -1.983 9 HG12 VAL 94 2HG1 VAL 94 -1.260 -4.960 -3.490 10 HG13 VAL 94 3HG1 VAL 94 0.298 -5.670 -3.065 11 HG21 VAL 94 3HG2 VAL 94 -0.592 -3.241 -5.586 12 HG22 VAL 94 1HG2 VAL 94 1.158 -3.403 -5.726 13 HG23 VAL 94 2HG2 VAL 94 0.155 -4.836 -5.497 14 H ALA 95 H ALA 95 -2.187 -2.867 -4.650 15 HA ALA 95 HA ALA 95 -4.218 -2.104 -2.833 16 HB1 ALA 95 1HB ALA 95 -5.657 -3.553 -4.419 17 HB2 ALA 95 2HB ALA 95 -4.893 -2.094 -5.051 18 HB3 ALA 95 3HB ALA 95 -4.183 -3.675 -5.380 19 H THR 96 H THR 96 -3.956 -5.390 -4.126 20 HA THR 96 HA THR 96 -3.416 -6.742 -1.748 21 HB THR 96 HB THR 96 -6.051 -7.596 -1.805 22 HG1 THR 96 HG1 THR 96 -7.269 -5.941 -2.293 23 HG21 THR 96 3HG2 THR 96 -4.266 -6.839 0.066 24 HG22 THR 96 1HG2 THR 96 -5.972 -7.124 0.411 25 HG23 THR 96 2HG2 THR 96 -5.388 -5.481 0.149 26 H ARG 97 H ARG 97 -2.746 -8.682 -2.380 27 HA ARG 97 HA ARG 97 -2.334 -10.482 -3.719 28 HB2 ARG 97 2HB ARG 97 -4.687 -10.880 -2.724 29 HB3 ARG 97 3HB ARG 97 -5.275 -10.500 -4.337 30 HG2 ARG 97 2HG ARG 97 -3.316 -12.347 -4.842 31 HG3 ARG 97 3HG ARG 97 -4.013 -12.920 -3.325 32 HD2 ARG 97 2HD ARG 97 -5.134 -13.888 -5.285 33 HD3 ARG 97 3HD ARG 97 -6.228 -12.911 -4.307 34 HE ARG 97 HE ARG 97 -5.178 -11.271 -6.299 35 HH11 ARG 97 1HH1 ARG 97 -7.227 -14.071 -6.016 36 HH12 ARG 97 2HH1 ARG 97 -8.137 -13.712 -7.446 37 HH21 ARG 97 1HH2 ARG 97 -6.368 -10.787 -8.184 38 HH22 ARG 97 2HH2 ARG 97 -7.647 -11.844 -8.679 39 H ASN 98 H ASN 98 -2.033 -7.971 -5.008 40 HA ASN 98 HA ASN 98 -2.836 -8.651 -7.761 41 HB2 ASN 98 2HB ASN 98 -3.040 -6.172 -6.260 42 HB3 ASN 98 3HB ASN 98 -2.136 -5.951 -7.755 43 HD21 ASN 98 1HD2 ASN 98 -3.895 -4.617 -8.434 44 HD22 ASN 98 2HD2 ASN 98 -5.330 -5.335 -9.076 45 H SER 99 H SER 99 -0.406 -6.561 -6.194 46 HA SER 99 HA SER 99 1.802 -8.057 -7.190 47 HB2 SER 99 2HB SER 99 0.806 -5.738 -8.767 48 HB3 SER 99 3HB SER 99 2.551 -5.887 -8.565 49 HG SER 99 HG SER 99 2.302 -8.077 -9.353 50 H CYS 100 H CYS 100 1.968 -7.748 -4.814 51 HA CYS 100 HA CYS 100 2.258 -5.566 -3.318 52 HB2 CYS 100 2HB CYS 100 3.639 -8.153 -3.375 53 HB3 CYS 100 3HB CYS 100 4.554 -6.882 -2.570 54 H LYS 101 H LYS 101 4.764 -6.709 -5.560 55 HA LYS 101 HA LYS 101 5.793 -3.972 -5.708 56 HB2 LYS 101 2HB LYS 101 8.045 -4.589 -5.355 57 HB3 LYS 101 3HB LYS 101 7.142 -5.372 -4.065 58 HG2 LYS 101 2HG LYS 101 8.248 -7.213 -4.649 59 HG3 LYS 101 3HG LYS 101 7.138 -7.286 -6.019 60 HD2 LYS 101 2HD LYS 101 9.388 -7.506 -6.837 61 HD3 LYS 101 3HD LYS 101 8.759 -5.933 -7.332 62 HE2 LYS 101 2HE LYS 101 11.105 -5.888 -6.477 63 HE3 LYS 101 3HE LYS 101 9.995 -4.821 -5.619 64 HZ1 LYS 101 3HZ LYS 101 9.966 -6.204 -3.775 65 HZ2 LYS 101 1HZ LYS 101 11.586 -6.260 -4.257 66 HZ3 LYS 101 2HZ LYS 101 10.549 -7.544 -4.626 67 HA PRO 102 HA PRO 102 5.903 -4.747 -10.032 68 HB2 PRO 102 2HB PRO 102 7.850 -3.011 -10.785 69 HB3 PRO 102 3HB PRO 102 6.235 -2.488 -10.292 70 HG2 PRO 102 2HG PRO 102 8.773 -2.545 -8.707 71 HG3 PRO 102 3HG PRO 102 7.529 -1.284 -8.781 72 HD2 PRO 102 2HD PRO 102 7.680 -3.063 -6.745 73 HD3 PRO 102 3HD PRO 102 6.138 -2.394 -7.316 74 H ALA 103 H ALA 103 6.926 -6.926 -9.194 75 HA ALA 103 HA ALA 103 8.778 -7.822 -10.977 76 HB1 ALA 103 1HB ALA 103 10.707 -7.923 -9.020 77 HB2 ALA 103 2HB ALA 103 10.695 -6.830 -10.405 78 HB3 ALA 103 3HB ALA 103 10.054 -6.293 -8.852 79 H ALA 104 H ALA 104 7.458 -7.993 -7.778 80 HA ALA 104 HA ALA 104 6.958 -10.775 -7.982 81 HB1 ALA 104 1HB ALA 104 8.445 -11.716 -6.453 82 HB2 ALA 104 2HB ALA 104 9.458 -10.636 -7.412 83 HB3 ALA 104 3HB ALA 104 8.922 -10.146 -5.805 84 H ALA 105 H ALA 105 7.161 -11.121 -5.023 85 HA ALA 105 HA ALA 105 4.845 -9.453 -4.282 86 HB1 ALA 105 1HB ALA 105 4.669 -12.054 -4.532 87 HB2 ALA 105 2HB ALA 105 5.401 -12.050 -2.927 88 HB3 ALA 105 3HB ALA 105 3.866 -11.224 -3.198 89 H ALA 106 H ALA 106 6.038 -7.787 -3.347 90 HA ALA 106 HA ALA 106 7.005 -8.366 -0.670 91 HB1 ALA 106 1HB ALA 106 8.907 -8.422 -2.515 92 HB2 ALA 106 2HB ALA 106 8.837 -6.675 -2.280 93 HB3 ALA 106 3HB ALA 106 9.179 -7.735 -0.913 94 H CYS 107 H CYS 107 5.045 -7.176 -0.217 95 HA CYS 107 HA CYS 107 4.459 -4.601 -1.063 96 HB2 CYS 107 2HB CYS 107 3.898 -5.893 1.614 97 HB3 CYS 107 3HB CYS 107 3.152 -4.401 1.049 98 H CYS 108 H CYS 108 4.497 -2.610 0.348 99 HA CYS 108 HA CYS 108 7.073 -2.395 1.763 100 HB2 CYS 108 2HB CYS 108 6.111 0.079 0.521 101 HB3 CYS 108 3HB CYS 108 7.722 -0.630 0.517 102 H ASP 109 H ASP 109 3.703 -1.697 1.675 103 HA ASP 109 HA ASP 109 3.396 0.415 3.403 104 HB2 ASP 109 2HB ASP 109 1.700 -1.381 2.237 105 HB3 ASP 109 3HB ASP 109 1.553 -1.817 3.937 106 HA PRO 110 HA PRO 110 5.277 -1.017 7.153 107 HB2 PRO 110 2HB PRO 110 4.463 1.042 8.724 108 HB3 PRO 110 3HB PRO 110 5.778 1.190 7.552 109 HG2 PRO 110 2HG PRO 110 2.913 2.021 7.299 110 HG3 PRO 110 3HG PRO 110 4.378 2.891 6.807 111 HD2 PRO 110 2HD PRO 110 2.839 1.520 5.052 112 HD3 PRO 110 3HD PRO 110 4.597 1.676 4.860 113 H ALA 111 H ALA 111 1.961 0.287 7.317 114 HA ALA 111 HA ALA 111 1.267 -1.156 9.665 115 HB1 ALA 111 1HB ALA 111 -0.993 -0.399 9.252 116 HB2 ALA 111 2HB ALA 111 0.141 0.922 8.969 117 HB3 ALA 111 3HB ALA 111 -0.567 0.060 7.603 118 H ALA 112 H ALA 112 1.104 -1.846 6.246 119 HA ALA 112 HA ALA 112 -0.469 -4.263 6.703 120 HB1 ALA 112 1HB ALA 112 0.600 -3.580 4.016 121 HB2 ALA 112 2HB ALA 112 -0.958 -4.268 4.474 122 HB3 ALA 112 3HB ALA 112 -0.653 -2.546 4.701 123 H SER 113 H SER 113 0.317 -6.220 5.349 124 HA SER 113 HA SER 113 3.123 -6.573 5.010 125 HB2 SER 113 2HB SER 113 1.874 -7.365 7.584 126 HB3 SER 113 3HB SER 113 2.974 -8.532 6.851 127 HG SER 113 HG SER 113 3.519 -6.163 8.082 128 H CYS 114 H CYS 114 3.173 -7.839 3.287 129 HA CYS 114 HA CYS 114 1.042 -9.386 2.354 130 HB2 CYS 114 2HB CYS 114 3.995 -9.555 1.726 131 HB3 CYS 114 3HB CYS 114 2.747 -10.417 0.832 132 H TYR 115 H TYR 115 1.838 -11.855 1.679 133 HA TYR 115 HA TYR 115 2.529 -13.208 4.196 134 HB2 TYR 115 2HB TYR 115 0.110 -13.307 3.997 135 HB3 TYR 115 3HB TYR 115 0.239 -13.915 2.350 136 HD1 TYR 115 HD1 TYR 115 1.135 -16.211 1.955 137 HD2 TYR 115 HD2 TYR 115 0.279 -14.766 5.865 138 HE1 TYR 115 HE1 TYR 115 1.142 -18.520 2.803 139 HE2 TYR 115 HE2 TYR 115 0.284 -17.071 6.724 140 HH TYR 115 HH TYR 115 0.035 -19.319 5.963 141 H CYS 116 H CYS 116 4.286 -14.383 3.875 142 HA CYS 116 HA CYS 116 5.219 -15.088 1.274 143 HB2 CYS 116 2HB CYS 116 6.196 -16.085 3.958 144 HB3 CYS 116 3HB CYS 116 7.073 -16.151 2.433 145 H ARG 117 H ARG 117 4.590 -16.754 0.089 146 HA ARG 117 HA ARG 117 3.320 -19.043 1.425 147 HB2 ARG 117 2HB ARG 117 2.938 -19.290 -1.336 148 HB3 ARG 117 3HB ARG 117 1.752 -18.781 -0.142 149 HG2 ARG 117 2HG ARG 117 1.683 -17.081 -1.704 150 HG3 ARG 117 3HG ARG 117 2.762 -16.432 -0.467 151 HD2 ARG 117 2HD ARG 117 4.012 -15.973 -2.314 152 HD3 ARG 117 3HD ARG 117 4.593 -17.605 -1.981 153 HE ARG 117 HE ARG 117 3.694 -18.258 -3.968 154 HH11 ARG 117 1HH1 ARG 117 2.097 -15.340 -2.942 155 HH12 ARG 117 2HH1 ARG 117 1.156 -15.191 -4.389 156 HH21 ARG 117 1HH2 ARG 117 2.461 -18.073 -5.878 157 HH22 ARG 117 2HH2 ARG 117 1.363 -16.747 -6.058 158 H PHE 118 H PHE 118 5.920 -18.104 -0.708 159 HA PHE 118 HA PHE 118 7.903 -19.233 -1.076 160 HB2 PHE 118 2HB PHE 118 7.041 -20.695 0.964 161 HB3 PHE 118 3HB PHE 118 6.749 -21.876 -0.308 162 HD1 PHE 118 HD2 PHE 118 9.382 -19.721 1.168 163 HD2 PHE 118 HD1 PHE 118 8.485 -23.191 -1.128 164 HE1 PHE 118 HE2 PHE 118 11.752 -20.377 1.240 165 HE2 PHE 118 HE1 PHE 118 10.854 -23.853 -1.059 166 HZ PHE 118 HZ PHE 118 12.491 -22.445 0.126 167 H PHE 119 H PHE 119 4.814 -20.635 -1.956 168 HA PHE 119 HA PHE 119 5.419 -22.363 -3.966 169 HB2 PHE 119 2HB PHE 119 3.118 -21.329 -3.091 170 HB3 PHE 119 3HB PHE 119 3.275 -20.387 -4.570 171 HD1 PHE 119 HD2 PHE 119 3.704 -23.941 -3.502 172 HD2 PHE 119 HD1 PHE 119 2.185 -21.217 -6.399 173 HE1 PHE 119 HE2 PHE 119 2.794 -25.827 -4.793 174 HE2 PHE 119 HE1 PHE 119 1.272 -23.099 -7.694 175 HZ PHE 119 HZ PHE 119 1.576 -25.407 -6.892 176 H ARG 120 H ARG 120 5.474 -18.841 -4.126 177 HA ARG 120 HA ARG 120 6.642 -19.037 -6.823 178 HB2 ARG 120 2HB ARG 120 5.641 -17.044 -7.427 179 HB3 ARG 120 3HB ARG 120 4.422 -17.734 -6.364 180 HG2 ARG 120 2HG ARG 120 4.463 -15.711 -5.405 181 HG3 ARG 120 3HG ARG 120 5.898 -16.332 -4.586 182 HD2 ARG 120 2HD ARG 120 7.184 -14.819 -5.584 183 HD3 ARG 120 3HD ARG 120 6.608 -15.317 -7.174 184 HE ARG 120 HE ARG 120 5.845 -12.985 -5.745 185 HH11 ARG 120 1HH1 ARG 120 4.625 -15.434 -7.897 186 HH12 ARG 120 2HH1 ARG 120 3.394 -14.416 -8.568 187 HH21 ARG 120 1HH2 ARG 120 4.229 -11.635 -6.620 188 HH22 ARG 120 2HH2 ARG 120 3.170 -12.255 -7.841 189 H SER 121 H SER 121 7.400 -18.519 -3.645 190 HA SER 121 HA SER 121 9.381 -17.927 -2.660 191 HB2 SER 121 2HB SER 121 10.281 -18.535 -5.066 192 HB3 SER 121 3HB SER 121 10.476 -16.788 -5.202 193 HG SER 121 HG SER 121 11.482 -18.265 -3.009 194 H ALA 122 H ALA 122 7.383 -16.309 -2.220 195 HA ALA 122 HA ALA 122 8.546 -13.816 -1.679 196 HB1 ALA 122 1HB ALA 122 7.647 -12.344 -3.233 197 HB2 ALA 122 2HB ALA 122 8.143 -13.716 -4.226 198 HB3 ALA 122 3HB ALA 122 6.446 -13.509 -3.791 199 H CYS 123 H CYS 123 6.603 -12.127 -1.256 200 HA CYS 123 HA CYS 123 4.499 -13.630 0.160 201 HB2 CYS 123 2HB CYS 123 5.554 -10.980 1.117 202 HB3 CYS 123 3HB CYS 123 4.640 -12.188 2.014 203 H TYR 124 H TYR 124 2.613 -13.289 -0.798 204 HA TYR 124 HA TYR 124 2.136 -10.879 -2.335 205 HB2 TYR 124 2HB TYR 124 0.150 -11.959 -3.122 206 HB3 TYR 124 3HB TYR 124 1.431 -13.167 -3.109 207 HD1 TYR 124 HD2 TYR 124 1.516 -14.805 -1.170 208 HD2 TYR 124 HD1 TYR 124 -1.843 -12.304 -1.924 209 HE1 TYR 124 HE2 TYR 124 0.113 -16.284 0.206 210 HE2 TYR 124 HE1 TYR 124 -3.255 -13.775 -0.550 211 HH TYR 124 HH TYR 124 -3.049 -15.413 1.203 212 H CYS 125 H CYS 125 0.564 -9.343 -1.921 213 HA CYS 125 HA CYS 125 0.045 -8.779 0.809 214 HB2 CYS 125 2HB CYS 125 -0.451 -7.498 -1.784 215 HB3 CYS 125 3HB CYS 125 -1.688 -7.161 -0.577 216 H ARG 126 H ARG 126 -1.049 -10.679 1.534 217 HA ARG 126 HA ARG 126 -3.414 -11.705 0.484 218 HB2 ARG 126 2HB ARG 126 -3.821 -12.474 2.894 219 HB3 ARG 126 3HB ARG 126 -2.343 -13.017 2.110 220 HG2 ARG 126 2HG ARG 126 -0.998 -11.718 3.432 221 HG3 ARG 126 3HG ARG 126 -2.268 -10.533 3.747 222 HD2 ARG 126 2HD ARG 126 -3.192 -11.769 5.435 223 HD3 ARG 126 3HD ARG 126 -2.652 -13.303 4.754 224 HE ARG 126 HE ARG 126 -0.337 -12.147 5.487 225 HH11 ARG 126 1HH1 ARG 126 -3.344 -12.659 7.165 226 HH12 ARG 126 2HH1 ARG 126 -2.603 -12.783 8.726 227 HH21 ARG 126 1HH2 ARG 126 0.651 -12.308 7.537 228 HH22 ARG 126 2HH2 ARG 126 -0.330 -12.583 8.936 Start of MODEL 4 1 H1 CYS 93 H CYS 93 1.857 0.041 0.836 2 HA CYS 93 HA CYS 93 2.427 1.062 -1.474 3 HB2 CYS 93 2HB CYS 93 3.716 -0.790 -0.108 4 HB3 CYS 93 3HB CYS 93 3.106 -1.849 -1.375 5 H VAL 94 H VAL 94 0.874 -2.149 -1.432 6 HA VAL 94 HA VAL 94 -0.152 -1.580 -4.137 7 HB VAL 94 HB VAL 94 1.443 -3.662 -3.494 8 HG11 VAL 94 1HG1 VAL 94 -1.281 -4.916 -3.466 9 HG12 VAL 94 2HG1 VAL 94 0.277 -5.636 -3.055 10 HG13 VAL 94 3HG1 VAL 94 -0.465 -4.458 -1.971 11 HG21 VAL 94 3HG2 VAL 94 -0.625 -3.224 -5.580 12 HG22 VAL 94 1HG2 VAL 94 1.126 -3.380 -5.734 13 HG23 VAL 94 2HG2 VAL 94 0.131 -4.815 -5.489 14 H ALA 95 H ALA 95 -2.207 -2.835 -4.631 15 HA ALA 95 HA ALA 95 -4.219 -2.050 -2.803 16 HB1 ALA 95 1HB ALA 95 -4.803 -2.078 -5.086 17 HB2 ALA 95 2HB ALA 95 -4.275 -3.751 -5.281 18 HB3 ALA 95 3HB ALA 95 -5.723 -3.386 -4.342 19 H THR 96 H THR 96 -3.973 -5.349 -4.064 20 HA THR 96 HA THR 96 -3.416 -6.679 -1.677 21 HB THR 96 HB THR 96 -6.054 -7.526 -1.702 22 HG1 THR 96 HG1 THR 96 -7.251 -5.582 -1.527 23 HG21 THR 96 3HG2 THR 96 -5.362 -5.392 0.223 24 HG22 THR 96 1HG2 THR 96 -4.253 -6.761 0.146 25 HG23 THR 96 2HG2 THR 96 -5.958 -7.027 0.508 26 H ARG 97 H ARG 97 -2.748 -8.620 -2.303 27 HA ARG 97 HA ARG 97 -2.351 -10.434 -3.628 28 HB2 ARG 97 2HB ARG 97 -4.696 -10.817 -2.600 29 HB3 ARG 97 3HB ARG 97 -5.298 -10.466 -4.215 30 HG2 ARG 97 2HG ARG 97 -3.342 -12.316 -4.709 31 HG3 ARG 97 3HG ARG 97 -4.015 -12.864 -3.172 32 HD2 ARG 97 2HD ARG 97 -5.163 -13.876 -5.089 33 HD3 ARG 97 3HD ARG 97 -6.247 -12.874 -4.125 34 HE ARG 97 HE ARG 97 -5.209 -11.292 -6.176 35 HH11 ARG 97 1HH1 ARG 97 -7.284 -14.059 -5.776 36 HH12 ARG 97 2HH1 ARG 97 -8.215 -13.731 -7.200 37 HH21 ARG 97 1HH2 ARG 97 -6.427 -10.849 -8.053 38 HH22 ARG 97 2HH2 ARG 97 -7.726 -11.905 -8.495 39 H ASN 98 H ASN 98 -2.004 -7.981 -4.955 40 HA ASN 98 HA ASN 98 -2.853 -8.683 -7.689 41 HB2 ASN 98 2HB ASN 98 -3.089 -6.191 -6.220 42 HB3 ASN 98 3HB ASN 98 -2.177 -5.971 -7.711 43 HD21 ASN 98 1HD2 ASN 98 -3.295 -5.637 -9.490 44 HD22 ASN 98 2HD2 ASN 98 -4.969 -6.000 -9.720 45 H SER 99 H SER 99 -0.436 -6.546 -6.166 46 HA SER 99 HA SER 99 1.777 -8.033 -7.176 47 HB2 SER 99 2HB SER 99 0.887 -5.560 -8.642 48 HB3 SER 99 3HB SER 99 2.585 -6.039 -8.620 49 HG SER 99 HG SER 99 1.939 -7.178 -10.289 50 H CYS 100 H CYS 100 1.931 -7.724 -4.789 51 HA CYS 100 HA CYS 100 2.229 -5.543 -3.294 52 HB2 CYS 100 2HB CYS 100 3.570 -8.142 -3.340 53 HB3 CYS 100 3HB CYS 100 4.538 -6.884 -2.579 54 H LYS 101 H LYS 101 4.741 -6.696 -5.527 55 HA LYS 101 HA LYS 101 5.776 -3.959 -5.671 56 HB2 LYS 101 2HB LYS 101 8.032 -4.602 -5.350 57 HB3 LYS 101 3HB LYS 101 7.129 -5.363 -4.046 58 HG2 LYS 101 2HG LYS 101 8.185 -7.233 -4.624 59 HG3 LYS 101 3HG LYS 101 7.085 -7.283 -6.004 60 HD2 LYS 101 2HD LYS 101 9.346 -7.548 -6.791 61 HD3 LYS 101 3HD LYS 101 8.739 -5.974 -7.309 62 HE2 LYS 101 2HE LYS 101 10.424 -4.958 -6.279 63 HE3 LYS 101 3HE LYS 101 9.962 -5.697 -4.746 64 HZ1 LYS 101 3HZ LYS 101 11.235 -7.649 -6.276 65 HZ2 LYS 101 1HZ LYS 101 11.786 -6.921 -4.851 66 HZ3 LYS 101 2HZ LYS 101 12.195 -6.259 -6.353 67 HA PRO 102 HA PRO 102 5.864 -4.698 -10.001 68 HB2 PRO 102 2HB PRO 102 7.829 -2.980 -10.749 69 HB3 PRO 102 3HB PRO 102 6.223 -2.442 -10.244 70 HG2 PRO 102 2HG PRO 102 8.767 -2.544 -8.670 71 HG3 PRO 102 3HG PRO 102 7.539 -1.267 -8.729 72 HD2 PRO 102 2HD PRO 102 7.676 -3.064 -6.708 73 HD3 PRO 102 3HD PRO 102 6.140 -2.371 -7.267 74 H ALA 103 H ALA 103 6.846 -6.902 -9.224 75 HA ALA 103 HA ALA 103 8.682 -7.804 -11.010 76 HB1 ALA 103 1HB ALA 103 9.992 -6.339 -8.846 77 HB2 ALA 103 2HB ALA 103 10.639 -7.959 -9.109 78 HB3 ALA 103 3HB ALA 103 10.598 -6.799 -10.437 79 H ALA 104 H ALA 104 7.429 -7.981 -7.774 80 HA ALA 104 HA ALA 104 6.873 -10.756 -8.006 81 HB1 ALA 104 1HB ALA 104 9.401 -10.588 -7.434 82 HB2 ALA 104 2HB ALA 104 8.825 -10.219 -5.808 83 HB3 ALA 104 3HB ALA 104 8.388 -11.747 -6.573 84 H ALA 105 H ALA 105 7.132 -11.100 -5.037 85 HA ALA 105 HA ALA 105 4.823 -9.436 -4.270 86 HB1 ALA 105 1HB ALA 105 5.413 -12.018 -2.903 87 HB2 ALA 105 2HB ALA 105 3.869 -11.203 -3.156 88 HB3 ALA 105 3HB ALA 105 4.655 -12.039 -4.495 89 H ALA 106 H ALA 106 6.042 -7.758 -3.378 90 HA ALA 106 HA ALA 106 7.053 -8.314 -0.710 91 HB1 ALA 106 1HB ALA 106 9.214 -7.594 -0.990 92 HB2 ALA 106 2HB ALA 106 8.937 -8.411 -2.529 93 HB3 ALA 106 3HB ALA 106 8.830 -6.653 -2.432 94 H CYS 107 H CYS 107 5.080 -7.135 -0.248 95 HA CYS 107 HA CYS 107 4.462 -4.572 -1.092 96 HB2 CYS 107 2HB CYS 107 3.974 -5.828 1.616 97 HB3 CYS 107 3HB CYS 107 3.189 -4.364 1.032 98 H CYS 108 H CYS 108 4.517 -2.567 0.296 99 HA CYS 108 HA CYS 108 7.117 -2.320 1.659 100 HB2 CYS 108 2HB CYS 108 6.109 0.129 0.397 101 HB3 CYS 108 3HB CYS 108 7.731 -0.557 0.390 102 H ASP 109 H ASP 109 3.742 -1.639 1.622 103 HA ASP 109 HA ASP 109 3.456 0.492 3.331 104 HB2 ASP 109 2HB ASP 109 1.747 -1.322 2.215 105 HB3 ASP 109 3HB ASP 109 1.635 -1.747 3.920 106 HA PRO 110 HA PRO 110 5.421 -0.896 7.056 107 HB2 PRO 110 2HB PRO 110 4.657 1.194 8.611 108 HB3 PRO 110 3HB PRO 110 5.947 1.312 7.408 109 HG2 PRO 110 2HG PRO 110 3.084 2.162 7.205 110 HG3 PRO 110 3HG PRO 110 4.544 3.012 6.667 111 HD2 PRO 110 2HD PRO 110 2.956 1.625 4.968 112 HD3 PRO 110 3HD PRO 110 4.711 1.765 4.736 113 H ALA 111 H ALA 111 2.108 0.410 7.239 114 HA ALA 111 HA ALA 111 1.456 -0.976 9.638 115 HB1 ALA 111 1HB ALA 111 -0.514 0.085 7.627 116 HB2 ALA 111 2HB ALA 111 -0.735 -0.130 9.364 117 HB3 ALA 111 3HB ALA 111 0.352 1.122 8.762 118 H ALA 112 H ALA 112 1.221 -1.731 6.235 119 HA ALA 112 HA ALA 112 -0.353 -4.130 6.767 120 HB1 ALA 112 1HB ALA 112 -0.866 -4.187 4.543 121 HB2 ALA 112 2HB ALA 112 -0.562 -2.460 4.734 122 HB3 ALA 112 3HB ALA 112 0.685 -3.504 4.053 123 H SER 113 H SER 113 0.419 -6.097 5.368 124 HA SER 113 HA SER 113 3.217 -6.476 5.037 125 HB2 SER 113 2HB SER 113 3.433 -8.240 6.842 126 HB3 SER 113 3HB SER 113 3.339 -6.578 7.424 127 HG SER 113 HG SER 113 1.958 -8.240 8.478 128 H CYS 114 H CYS 114 3.241 -7.747 3.317 129 HA CYS 114 HA CYS 114 1.097 -9.295 2.416 130 HB2 CYS 114 2HB CYS 114 4.043 -9.472 1.759 131 HB3 CYS 114 3HB CYS 114 2.786 -10.341 0.884 132 H TYR 115 H TYR 115 1.885 -11.770 1.747 133 HA TYR 115 HA TYR 115 2.592 -13.109 4.267 134 HB2 TYR 115 2HB TYR 115 0.171 -13.207 4.083 135 HB3 TYR 115 3HB TYR 115 0.291 -13.827 2.440 136 HD1 TYR 115 HD2 TYR 115 1.203 -16.125 2.062 137 HD2 TYR 115 HD1 TYR 115 0.334 -14.652 5.958 138 HE1 TYR 115 HE2 TYR 115 1.212 -18.427 2.927 139 HE2 TYR 115 HE1 TYR 115 0.342 -16.950 6.835 140 HH TYR 115 HH TYR 115 0.361 -19.132 6.283 141 H CYS 116 H CYS 116 4.347 -14.288 3.941 142 HA CYS 116 HA CYS 116 5.260 -15.009 1.337 143 HB2 CYS 116 2HB CYS 116 6.256 -15.981 4.023 144 HB3 CYS 116 3HB CYS 116 7.121 -16.072 2.492 145 H ARG 117 H ARG 117 4.636 -16.689 0.168 146 HA ARG 117 HA ARG 117 3.371 -18.966 1.529 147 HB2 ARG 117 2HB ARG 117 2.972 -19.233 -1.229 148 HB3 ARG 117 3HB ARG 117 1.793 -18.718 -0.030 149 HG2 ARG 117 2HG ARG 117 1.711 -17.028 -1.603 150 HG3 ARG 117 3HG ARG 117 2.796 -16.370 -0.376 151 HD2 ARG 117 2HD ARG 117 4.035 -15.919 -2.232 152 HD3 ARG 117 3HD ARG 117 4.620 -17.548 -1.893 153 HE ARG 117 HE ARG 117 3.713 -18.212 -3.873 154 HH11 ARG 117 1HH1 ARG 117 2.111 -15.295 -2.850 155 HH12 ARG 117 2HH1 ARG 117 1.160 -15.157 -4.291 156 HH21 ARG 117 1HH2 ARG 117 2.466 -18.041 -5.775 157 HH22 ARG 117 2HH2 ARG 117 1.362 -16.719 -5.954 158 H PHE 118 H PHE 118 5.957 -18.041 -0.627 159 HA PHE 118 HA PHE 118 7.937 -19.172 -1.001 160 HB2 PHE 118 2HB PHE 118 7.088 -20.619 1.056 161 HB3 PHE 118 3HB PHE 118 6.793 -21.811 -0.206 162 HD1 PHE 118 HD1 PHE 118 9.518 -19.373 0.560 163 HD2 PHE 118 HD2 PHE 118 8.439 -23.390 -0.344 164 HE1 PHE 118 HE1 PHE 118 11.890 -20.021 0.625 165 HE2 PHE 118 HE2 PHE 118 10.810 -24.045 -0.280 166 HZ PHE 118 HZ PHE 118 12.539 -22.360 0.206 167 H PHE 119 H PHE 119 4.844 -20.593 -1.844 168 HA PHE 119 HA PHE 119 5.434 -22.335 -3.844 169 HB2 PHE 119 2HB PHE 119 3.140 -21.288 -2.963 170 HB3 PHE 119 3HB PHE 119 3.289 -20.364 -4.454 171 HD1 PHE 119 HD2 PHE 119 3.458 -21.589 -6.632 172 HD2 PHE 119 HD1 PHE 119 2.450 -23.531 -2.981 173 HE1 PHE 119 HE2 PHE 119 2.536 -23.486 -7.900 174 HE2 PHE 119 HE1 PHE 119 1.528 -25.432 -4.243 175 HZ PHE 119 HZ PHE 119 1.569 -25.410 -6.705 176 H ARG 120 H ARG 120 5.488 -18.814 -4.038 177 HA ARG 120 HA ARG 120 6.643 -19.037 -6.740 178 HB2 ARG 120 2HB ARG 120 5.635 -17.053 -7.360 179 HB3 ARG 120 3HB ARG 120 4.422 -17.731 -6.282 180 HG2 ARG 120 2HG ARG 120 4.467 -15.697 -5.348 181 HG3 ARG 120 3HG ARG 120 5.906 -16.308 -4.529 182 HD2 ARG 120 2HD ARG 120 7.183 -14.801 -5.546 183 HD3 ARG 120 3HD ARG 120 6.609 -15.326 -7.128 184 HE ARG 120 HE ARG 120 5.833 -12.977 -5.731 185 HH11 ARG 120 1HH1 ARG 120 4.641 -15.455 -7.866 186 HH12 ARG 120 2HH1 ARG 120 3.411 -14.450 -8.558 187 HH21 ARG 120 1HH2 ARG 120 4.218 -11.644 -6.634 188 HH22 ARG 120 2HH2 ARG 120 3.172 -12.282 -7.857 189 H SER 121 H SER 121 7.410 -18.476 -3.568 190 HA SER 121 HA SER 121 9.396 -17.873 -2.600 191 HB2 SER 121 2HB SER 121 10.285 -18.504 -5.005 192 HB3 SER 121 3HB SER 121 10.480 -16.758 -5.156 193 HG SER 121 HG SER 121 12.215 -16.956 -4.010 194 H ALA 122 H ALA 122 7.403 -16.255 -2.160 195 HA ALA 122 HA ALA 122 8.565 -13.752 -1.660 196 HB1 ALA 122 1HB ALA 122 7.627 -12.300 -3.217 197 HB2 ALA 122 2HB ALA 122 8.145 -13.672 -4.198 198 HB3 ALA 122 3HB ALA 122 6.446 -13.491 -3.762 199 H CYS 123 H CYS 123 6.618 -12.064 -1.239 200 HA CYS 123 HA CYS 123 4.534 -13.556 0.216 201 HB2 CYS 123 2HB CYS 123 5.608 -10.898 1.134 202 HB3 CYS 123 3HB CYS 123 4.686 -12.085 2.051 203 H TYR 124 H TYR 124 2.640 -13.229 -0.730 204 HA TYR 124 HA TYR 124 2.143 -10.834 -2.284 205 HB2 TYR 124 2HB TYR 124 0.149 -11.925 -3.038 206 HB3 TYR 124 3HB TYR 124 1.433 -13.130 -3.028 207 HD1 TYR 124 HD2 TYR 124 1.540 -14.757 -1.086 208 HD2 TYR 124 HD1 TYR 124 -1.826 -12.256 -1.806 209 HE1 TYR 124 HE2 TYR 124 0.155 -16.226 0.318 210 HE2 TYR 124 HE1 TYR 124 -3.220 -13.718 -0.402 211 HH TYR 124 HH TYR 124 -3.316 -15.634 0.734 212 H CYS 125 H CYS 125 0.577 -9.294 -1.867 213 HA CYS 125 HA CYS 125 0.082 -8.707 0.863 214 HB2 CYS 125 2HB CYS 125 -0.460 -7.453 -1.741 215 HB3 CYS 125 3HB CYS 125 -1.657 -7.092 -0.501 216 H ARG 126 H ARG 126 -1.006 -10.593 1.621 217 HA ARG 126 HA ARG 126 -3.379 -11.633 0.601 218 HB2 ARG 126 2HB ARG 126 -3.765 -12.369 3.028 219 HB3 ARG 126 3HB ARG 126 -2.302 -12.931 2.231 220 HG2 ARG 126 2HG ARG 126 -0.930 -11.602 3.506 221 HG3 ARG 126 3HG ARG 126 -2.207 -10.433 3.851 222 HD2 ARG 126 2HD ARG 126 -1.546 -11.839 5.802 223 HD3 ARG 126 3HD ARG 126 -3.257 -11.929 5.388 224 HE ARG 126 HE ARG 126 -1.650 -13.994 4.189 225 HH11 ARG 126 1HH1 ARG 126 -3.494 -13.043 6.986 226 HH12 ARG 126 2HH1 ARG 126 -3.798 -14.670 7.500 227 HH21 ARG 126 1HH2 ARG 126 -2.044 -16.140 4.856 228 HH22 ARG 126 2HH2 ARG 126 -2.972 -16.430 6.289 Start of MODEL 5 1 H1 CYS 93 H CYS 93 1.797 -0.006 0.899 2 HA CYS 93 HA CYS 93 2.401 1.016 -1.392 3 HB2 CYS 93 2HB CYS 93 3.666 -0.855 -0.018 4 HB3 CYS 93 3HB CYS 93 3.095 -1.890 -1.322 5 H VAL 94 H VAL 94 0.850 -2.196 -1.399 6 HA VAL 94 HA VAL 94 -0.124 -1.611 -4.120 7 HB VAL 94 HB VAL 94 1.460 -3.695 -3.464 8 HG11 VAL 94 1HG1 VAL 94 0.292 -5.672 -3.050 9 HG12 VAL 94 2HG1 VAL 94 -0.474 -4.500 -1.975 10 HG13 VAL 94 3HG1 VAL 94 -1.260 -4.957 -3.487 11 HG21 VAL 94 3HG2 VAL 94 -0.573 -3.245 -5.580 12 HG22 VAL 94 1HG2 VAL 94 1.179 -3.409 -5.707 13 HG23 VAL 94 2HG2 VAL 94 0.172 -4.840 -5.483 14 H ALA 95 H ALA 95 -2.172 -2.852 -4.661 15 HA ALA 95 HA ALA 95 -4.215 -2.083 -2.864 16 HB1 ALA 95 1HB ALA 95 -4.875 -2.074 -5.083 17 HB2 ALA 95 2HB ALA 95 -4.160 -3.653 -5.410 18 HB3 ALA 95 3HB ALA 95 -5.642 -3.535 -4.462 19 H THR 96 H THR 96 -3.958 -5.372 -4.148 20 HA THR 96 HA THR 96 -3.443 -6.722 -1.763 21 HB THR 96 HB THR 96 -6.082 -7.563 -1.841 22 HG1 THR 96 HG1 THR 96 -7.156 -5.912 -2.614 23 HG21 THR 96 3HG2 THR 96 -4.313 -6.824 0.045 24 HG22 THR 96 1HG2 THR 96 -6.025 -7.081 0.376 25 HG23 THR 96 2HG2 THR 96 -5.413 -5.448 0.114 26 H ARG 97 H ARG 97 -2.765 -8.658 -2.395 27 HA ARG 97 HA ARG 97 -2.352 -10.464 -3.726 28 HB2 ARG 97 2HB ARG 97 -4.719 -10.846 -2.747 29 HB3 ARG 97 3HB ARG 97 -5.286 -10.482 -4.371 30 HG2 ARG 97 2HG ARG 97 -3.322 -12.335 -4.832 31 HG3 ARG 97 3HG ARG 97 -4.038 -12.892 -3.319 32 HD2 ARG 97 2HD ARG 97 -5.134 -13.878 -5.286 33 HD3 ARG 97 3HD ARG 97 -6.241 -12.896 -4.327 34 HE ARG 97 HE ARG 97 -5.170 -11.269 -6.319 35 HH11 ARG 97 1HH1 ARG 97 -7.220 -14.069 -6.038 36 HH12 ARG 97 2HH1 ARG 97 -8.114 -13.721 -7.480 37 HH21 ARG 97 1HH2 ARG 97 -6.340 -10.800 -8.220 38 HH22 ARG 97 2HH2 ARG 97 -7.612 -11.861 -8.722 39 H ASN 98 H ASN 98 -2.012 -7.972 -5.020 40 HA ASN 98 HA ASN 98 -2.806 -8.650 -7.776 41 HB2 ASN 98 2HB ASN 98 -3.024 -6.168 -6.283 42 HB3 ASN 98 3HB ASN 98 -2.102 -5.949 -7.768 43 HD21 ASN 98 1HD2 ASN 98 -5.176 -6.376 -6.386 44 HD22 ASN 98 2HD2 ASN 98 -6.091 -6.413 -7.851 45 H SER 99 H SER 99 -0.390 -6.547 -6.206 46 HA SER 99 HA SER 99 1.825 -8.051 -7.186 47 HB2 SER 99 2HB SER 99 1.333 -7.095 -9.317 48 HB3 SER 99 3HB SER 99 1.069 -5.499 -8.616 49 HG SER 99 HG SER 99 3.091 -5.387 -9.390 50 H CYS 100 H CYS 100 1.979 -7.758 -4.809 51 HA CYS 100 HA CYS 100 2.263 -5.578 -3.301 52 HB2 CYS 100 2HB CYS 100 3.616 -8.178 -3.348 53 HB3 CYS 100 3HB CYS 100 4.543 -6.919 -2.539 54 H LYS 101 H LYS 101 4.762 -6.725 -5.546 55 HA LYS 101 HA LYS 101 5.822 -4.000 -5.665 56 HB2 LYS 101 2HB LYS 101 8.062 -4.631 -5.287 57 HB3 LYS 101 3HB LYS 101 7.144 -5.435 -4.021 58 HG2 LYS 101 2HG LYS 101 8.261 -7.264 -4.628 59 HG3 LYS 101 3HG LYS 101 7.155 -7.316 -6.002 60 HD2 LYS 101 2HD LYS 101 9.401 -7.522 -6.824 61 HD3 LYS 101 3HD LYS 101 8.782 -5.935 -7.284 62 HE2 LYS 101 2HE LYS 101 11.119 -5.898 -6.434 63 HE3 LYS 101 3HE LYS 101 10.011 -4.877 -5.520 64 HZ1 LYS 101 3HZ LYS 101 10.602 -7.637 -4.655 65 HZ2 LYS 101 1HZ LYS 101 10.002 -6.346 -3.740 66 HZ3 LYS 101 2HZ LYS 101 11.621 -6.355 -4.231 67 HA PRO 102 HA PRO 102 5.948 -4.757 -9.992 68 HB2 PRO 102 2HB PRO 102 7.902 -3.021 -10.726 69 HB3 PRO 102 3HB PRO 102 6.285 -2.498 -10.240 70 HG2 PRO 102 2HG PRO 102 8.815 -2.567 -8.641 71 HG3 PRO 102 3HG PRO 102 7.573 -1.303 -8.717 72 HD2 PRO 102 2HD PRO 102 7.710 -3.091 -6.688 73 HD3 PRO 102 3HD PRO 102 6.172 -2.416 -7.264 74 H ALA 103 H ALA 103 6.962 -6.941 -9.158 75 HA ALA 103 HA ALA 103 8.818 -7.837 -10.934 76 HB1 ALA 103 1HB ALA 103 10.731 -6.842 -10.358 77 HB2 ALA 103 2HB ALA 103 10.091 -6.315 -8.801 78 HB3 ALA 103 3HB ALA 103 10.746 -7.943 -8.980 79 H ALA 104 H ALA 104 7.486 -8.010 -7.741 80 HA ALA 104 HA ALA 104 6.993 -10.794 -7.949 81 HB1 ALA 104 1HB ALA 104 8.956 -10.137 -5.776 82 HB2 ALA 104 2HB ALA 104 8.461 -11.720 -6.377 83 HB3 ALA 104 3HB ALA 104 9.479 -10.678 -7.371 84 H ALA 105 H ALA 105 7.182 -11.128 -4.983 85 HA ALA 105 HA ALA 105 4.857 -9.464 -4.262 86 HB1 ALA 105 1HB ALA 105 3.861 -11.235 -3.196 87 HB2 ALA 105 2HB ALA 105 4.682 -12.067 -4.517 88 HB3 ALA 105 3HB ALA 105 5.392 -12.062 -2.903 89 H ALA 106 H ALA 106 6.044 -7.803 -3.310 90 HA ALA 106 HA ALA 106 6.987 -8.392 -0.627 91 HB1 ALA 106 1HB ALA 106 9.143 -8.392 -1.176 92 HB2 ALA 106 2HB ALA 106 8.798 -7.854 -2.820 93 HB3 ALA 106 3HB ALA 106 8.968 -6.672 -1.523 94 H CYS 107 H CYS 107 5.020 -7.197 -0.199 95 HA CYS 107 HA CYS 107 4.450 -4.620 -1.041 96 HB2 CYS 107 2HB CYS 107 3.866 -5.912 1.631 97 HB3 CYS 107 3HB CYS 107 3.127 -4.419 1.061 98 H CYS 108 H CYS 108 4.487 -2.628 0.364 99 HA CYS 108 HA CYS 108 7.052 -2.421 1.800 100 HB2 CYS 108 2HB CYS 108 6.099 0.056 0.557 101 HB3 CYS 108 3HB CYS 108 7.710 -0.653 0.564 102 H ASP 109 H ASP 109 3.683 -1.722 1.696 103 HA ASP 109 HA ASP 109 3.370 0.388 3.427 104 HB2 ASP 109 2HB ASP 109 1.677 -1.402 2.246 105 HB3 ASP 109 3HB ASP 109 1.521 -1.844 3.944 106 HA PRO 110 HA PRO 110 5.229 -1.053 7.183 107 HB2 PRO 110 2HB PRO 110 4.409 1.004 8.753 108 HB3 PRO 110 3HB PRO 110 5.730 1.152 7.589 109 HG2 PRO 110 2HG PRO 110 2.868 1.988 7.323 110 HG3 PRO 110 3HG PRO 110 4.337 2.856 6.840 111 HD2 PRO 110 2HD PRO 110 2.805 1.491 5.074 112 HD3 PRO 110 3HD PRO 110 4.564 1.645 4.892 113 H ALA 111 H ALA 111 1.908 0.242 7.315 114 HA ALA 111 HA ALA 111 1.199 -1.194 9.664 115 HB1 ALA 111 1HB ALA 111 -1.054 -0.438 9.240 116 HB2 ALA 111 2HB ALA 111 0.076 0.882 8.937 117 HB3 ALA 111 3HB ALA 111 -0.629 -0.001 7.584 118 H ALA 112 H ALA 112 1.001 -1.869 6.233 119 HA ALA 112 HA ALA 112 -0.565 -4.283 6.675 120 HB1 ALA 112 1HB ALA 112 -0.686 -2.589 4.659 121 HB2 ALA 112 2HB ALA 112 0.592 -3.621 4.017 122 HB3 ALA 112 3HB ALA 112 -0.977 -4.313 4.428 123 H SER 113 H SER 113 0.260 -6.233 5.276 124 HA SER 113 HA SER 113 3.062 -6.627 5.052 125 HB2 SER 113 2HB SER 113 3.319 -6.865 7.340 126 HB3 SER 113 3HB SER 113 1.697 -7.520 7.560 127 HG SER 113 HG SER 113 3.950 -8.859 7.353 128 H CYS 114 H CYS 114 3.117 -7.870 3.311 129 HA CYS 114 HA CYS 114 0.999 -9.422 2.354 130 HB2 CYS 114 2HB CYS 114 3.958 -9.582 1.753 131 HB3 CYS 114 3HB CYS 114 2.719 -10.440 0.842 132 H TYR 115 H TYR 115 1.812 -11.885 1.677 133 HA TYR 115 HA TYR 115 2.492 -13.246 4.192 134 HB2 TYR 115 2HB TYR 115 0.075 -13.349 3.999 135 HB3 TYR 115 3HB TYR 115 0.199 -13.939 2.345 136 HD1 TYR 115 HD2 TYR 115 1.065 -16.234 1.919 137 HD2 TYR 115 HD1 TYR 115 0.279 -14.825 5.856 138 HE1 TYR 115 HE2 TYR 115 1.070 -18.551 2.743 139 HE2 TYR 115 HE1 TYR 115 0.284 -17.138 6.691 140 HH TYR 115 HH TYR 115 1.587 -19.570 5.362 141 H CYS 116 H CYS 116 4.245 -14.427 3.871 142 HA CYS 116 HA CYS 116 5.185 -15.119 1.269 143 HB2 CYS 116 2HB CYS 116 6.146 -16.137 3.950 144 HB3 CYS 116 3HB CYS 116 7.029 -16.200 2.429 145 H ARG 117 H ARG 117 4.561 -16.778 0.070 146 HA ARG 117 HA ARG 117 3.270 -19.068 1.383 147 HB2 ARG 117 2HB ARG 117 2.912 -19.301 -1.382 148 HB3 ARG 117 3HB ARG 117 1.718 -18.791 -0.197 149 HG2 ARG 117 2HG ARG 117 1.673 -17.084 -1.753 150 HG3 ARG 117 3HG ARG 117 2.742 -16.446 -0.503 151 HD2 ARG 117 2HD ARG 117 4.011 -15.984 -2.338 152 HD3 ARG 117 3HD ARG 117 4.584 -17.617 -2.001 153 HE ARG 117 HE ARG 117 3.715 -18.258 -4.004 154 HH11 ARG 117 1HH1 ARG 117 2.077 -15.366 -2.970 155 HH12 ARG 117 2HH1 ARG 117 1.143 -15.219 -4.422 156 HH21 ARG 117 1HH2 ARG 117 2.491 -18.076 -5.920 157 HH22 ARG 117 2HH2 ARG 117 1.379 -16.762 -6.099 158 H PHE 118 H PHE 118 5.898 -18.130 -0.714 159 HA PHE 118 HA PHE 118 7.877 -19.267 -1.070 160 HB2 PHE 118 2HB PHE 118 6.985 -20.736 0.952 161 HB3 PHE 118 3HB PHE 118 6.705 -21.909 -0.330 162 HD1 PHE 118 HD1 PHE 118 9.330 -19.759 1.171 163 HD2 PHE 118 HD2 PHE 118 8.444 -23.236 -1.118 164 HE1 PHE 118 HE1 PHE 118 11.697 -20.423 1.269 165 HE2 PHE 118 HE2 PHE 118 10.809 -23.906 -1.024 166 HZ PHE 118 HZ PHE 118 12.439 -22.499 0.171 167 H PHE 119 H PHE 119 4.794 -20.669 -1.982 168 HA PHE 119 HA PHE 119 5.416 -22.380 -3.999 169 HB2 PHE 119 2HB PHE 119 3.108 -21.358 -3.135 170 HB3 PHE 119 3HB PHE 119 3.275 -20.402 -4.603 171 HD1 PHE 119 HD1 PHE 119 2.879 -23.791 -3.253 172 HD2 PHE 119 HD2 PHE 119 3.023 -21.390 -6.764 173 HE1 PHE 119 HE1 PHE 119 1.981 -25.667 -4.568 174 HE2 PHE 119 HE2 PHE 119 2.124 -23.261 -8.084 175 HZ PHE 119 HZ PHE 119 1.602 -25.402 -6.987 176 H ARG 120 H ARG 120 5.491 -18.860 -4.125 177 HA ARG 120 HA ARG 120 6.674 -19.038 -6.818 178 HB2 ARG 120 2HB ARG 120 5.673 -17.046 -7.421 179 HB3 ARG 120 3HB ARG 120 4.446 -17.740 -6.370 180 HG2 ARG 120 2HG ARG 120 4.478 -15.721 -5.403 181 HG3 ARG 120 3HG ARG 120 5.908 -16.342 -4.576 182 HD2 ARG 120 2HD ARG 120 7.202 -14.828 -5.563 183 HD3 ARG 120 3HD ARG 120 6.629 -15.315 -7.157 184 HE ARG 120 HE ARG 120 5.871 -12.990 -5.722 185 HH11 ARG 120 1HH1 ARG 120 4.633 -15.434 -7.870 186 HH12 ARG 120 2HH1 ARG 120 3.399 -14.413 -8.532 187 HH21 ARG 120 1HH2 ARG 120 4.251 -11.636 -6.586 188 HH22 ARG 120 2HH2 ARG 120 3.183 -12.253 -7.802 189 H SER 121 H SER 121 7.397 -18.531 -3.628 190 HA SER 121 HA SER 121 9.364 -17.938 -2.618 191 HB2 SER 121 2HB SER 121 10.288 -18.538 -5.023 192 HB3 SER 121 3HB SER 121 10.498 -16.791 -5.137 193 HG SER 121 HG SER 121 11.932 -16.840 -3.503 194 H ALA 122 H ALA 122 7.364 -16.320 -2.197 195 HA ALA 122 HA ALA 122 8.522 -13.827 -1.644 196 HB1 ALA 122 1HB ALA 122 8.140 -13.732 -4.197 197 HB2 ALA 122 2HB ALA 122 6.441 -13.515 -3.773 198 HB3 ALA 122 3HB ALA 122 7.645 -12.356 -3.210 199 H CYS 123 H CYS 123 6.598 -12.141 -1.206 200 HA CYS 123 HA CYS 123 4.472 -13.643 0.175 201 HB2 CYS 123 2HB CYS 123 5.522 -10.999 1.151 202 HB3 CYS 123 3HB CYS 123 4.600 -12.210 2.035 203 H TYR 124 H TYR 124 2.590 -13.292 -0.787 204 HA TYR 124 HA TYR 124 2.132 -10.877 -2.324 205 HB2 TYR 124 2HB TYR 124 0.146 -11.950 -3.125 206 HB3 TYR 124 3HB TYR 124 1.428 -13.156 -3.116 207 HD1 TYR 124 HD1 TYR 124 1.506 -14.811 -1.193 208 HD2 TYR 124 HD2 TYR 124 -1.851 -12.305 -1.937 209 HE1 TYR 124 HE1 TYR 124 0.100 -16.302 0.167 210 HE2 TYR 124 HE2 TYR 124 -3.266 -13.789 -0.578 211 HH TYR 124 HH TYR 124 -2.494 -16.835 0.227 212 H CYS 125 H CYS 125 0.545 -9.347 -1.923 213 HA CYS 125 HA CYS 125 0.012 -8.786 0.806 214 HB2 CYS 125 2HB CYS 125 -0.484 -7.505 -1.791 215 HB3 CYS 125 3HB CYS 125 -1.711 -7.162 -0.576 216 H ARG 126 H ARG 126 -1.083 -10.692 1.517 217 HA ARG 126 HA ARG 126 -3.438 -11.721 0.454 218 HB2 ARG 126 2HB ARG 126 -3.863 -12.490 2.859 219 HB3 ARG 126 3HB ARG 126 -2.374 -13.026 2.092 220 HG2 ARG 126 2HG ARG 126 -1.050 -11.726 3.430 221 HG3 ARG 126 3HG ARG 126 -2.323 -10.539 3.721 222 HD2 ARG 126 2HD ARG 126 -3.225 -11.724 5.437 223 HD3 ARG 126 3HD ARG 126 -2.791 -13.281 4.732 224 HE ARG 126 HE ARG 126 -0.788 -13.204 5.856 225 HH11 ARG 126 1HH1 ARG 126 -2.341 -10.092 6.014 226 HH12 ARG 126 2HH1 ARG 126 -1.237 -9.455 7.187 227 HH21 ARG 126 1HH2 ARG 126 0.672 -12.376 7.401 228 HH22 ARG 126 2HH2 ARG 126 0.477 -10.754 7.975 Start of MODEL 6 1 H1 CYS 93 H CYS 93 1.782 -0.035 0.838 2 HA CYS 93 HA CYS 93 2.423 1.011 -1.450 3 HB2 CYS 93 2HB CYS 93 3.668 -0.848 -0.056 4 HB3 CYS 93 3HB CYS 93 3.087 -1.904 -1.339 5 H VAL 94 H VAL 94 0.843 -2.187 -1.460 6 HA VAL 94 HA VAL 94 -0.076 -1.618 -4.203 7 HB VAL 94 HB VAL 94 1.449 -3.724 -3.487 8 HG11 VAL 94 1HG1 VAL 94 -0.519 -4.463 -2.012 9 HG12 VAL 94 2HG1 VAL 94 -1.299 -4.926 -3.526 10 HG13 VAL 94 3HG1 VAL 94 0.232 -5.668 -3.058 11 HG21 VAL 94 3HG2 VAL 94 1.203 -3.464 -5.740 12 HG22 VAL 94 1HG2 VAL 94 0.175 -4.878 -5.504 13 HG23 VAL 94 2HG2 VAL 94 -0.548 -3.275 -5.640 14 H ALA 95 H ALA 95 -2.135 -2.853 -4.760 15 HA ALA 95 HA ALA 95 -4.201 -1.994 -3.027 16 HB1 ALA 95 1HB ALA 95 -4.140 -3.663 -5.515 17 HB2 ALA 95 2HB ALA 95 -5.637 -3.427 -4.612 18 HB3 ALA 95 3HB ALA 95 -4.782 -2.037 -5.280 19 H THR 96 H THR 96 -3.970 -5.321 -4.218 20 HA THR 96 HA THR 96 -3.544 -6.607 -1.776 21 HB THR 96 HB THR 96 -6.189 -7.426 -1.936 22 HG1 THR 96 HG1 THR 96 -7.388 -5.509 -1.914 23 HG21 THR 96 3HG2 THR 96 -5.491 -5.268 -0.016 24 HG22 THR 96 1HG2 THR 96 -4.514 -6.735 0.012 25 HG23 THR 96 2HG2 THR 96 -6.256 -6.831 0.269 26 H ARG 97 H ARG 97 -2.838 -8.550 -2.344 27 HA ARG 97 HA ARG 97 -2.373 -10.377 -3.633 28 HB2 ARG 97 2HB ARG 97 -4.701 -10.810 -2.633 29 HB3 ARG 97 3HB ARG 97 -5.320 -10.445 -4.238 30 HG2 ARG 97 2HG ARG 97 -3.360 -12.269 -4.781 31 HG3 ARG 97 3HG ARG 97 -3.993 -12.841 -3.236 32 HD2 ARG 97 2HD ARG 97 -5.177 -13.857 -5.116 33 HD3 ARG 97 3HD ARG 97 -6.251 -12.846 -4.149 34 HE ARG 97 HE ARG 97 -5.253 -11.272 -6.215 35 HH11 ARG 97 1HH1 ARG 97 -7.265 -14.085 -5.812 36 HH12 ARG 97 2HH1 ARG 97 -8.199 -13.783 -7.239 37 HH21 ARG 97 1HH2 ARG 97 -6.476 -10.864 -8.097 38 HH22 ARG 97 2HH2 ARG 97 -7.749 -11.951 -8.539 39 H ASN 98 H ASN 98 -1.996 -7.981 -5.014 40 HA ASN 98 HA ASN 98 -2.815 -8.736 -7.743 41 HB2 ASN 98 2HB ASN 98 -3.061 -6.212 -6.333 42 HB3 ASN 98 3HB ASN 98 -2.121 -6.027 -7.811 43 HD21 ASN 98 1HD2 ASN 98 -5.215 -6.611 -6.449 44 HD22 ASN 98 2HD2 ASN 98 -6.108 -6.629 -7.929 45 H SER 99 H SER 99 -0.404 -6.590 -6.221 46 HA SER 99 HA SER 99 1.812 -8.107 -7.179 47 HB2 SER 99 2HB SER 99 0.864 -5.751 -8.755 48 HB3 SER 99 3HB SER 99 2.601 -6.006 -8.589 49 HG SER 99 HG SER 99 0.804 -7.335 -10.122 50 H CYS 100 H CYS 100 1.917 -7.756 -4.789 51 HA CYS 100 HA CYS 100 2.212 -5.573 -3.314 52 HB2 CYS 100 2HB CYS 100 3.591 -8.157 -3.341 53 HB3 CYS 100 3HB CYS 100 4.516 -6.881 -2.556 54 H LYS 101 H LYS 101 4.777 -6.741 -5.483 55 HA LYS 101 HA LYS 101 5.795 -3.993 -5.636 56 HB2 LYS 101 2HB LYS 101 8.049 -4.640 -5.316 57 HB3 LYS 101 3HB LYS 101 7.145 -5.414 -4.021 58 HG2 LYS 101 2HG LYS 101 8.205 -7.276 -4.618 59 HG3 LYS 101 3HG LYS 101 7.102 -7.314 -5.995 60 HD2 LYS 101 2HD LYS 101 9.356 -7.570 -6.797 61 HD3 LYS 101 3HD LYS 101 8.756 -5.984 -7.287 62 HE2 LYS 101 2HE LYS 101 10.451 -4.997 -6.249 63 HE3 LYS 101 3HE LYS 101 9.984 -5.751 -4.725 64 HZ1 LYS 101 3HZ LYS 101 12.301 -6.231 -5.564 65 HZ2 LYS 101 1HZ LYS 101 11.581 -7.182 -6.764 66 HZ3 LYS 101 2HZ LYS 101 11.371 -7.577 -5.133 67 HA PRO 102 HA PRO 102 5.879 -4.704 -9.971 68 HB2 PRO 102 2HB PRO 102 7.841 -2.979 -10.709 69 HB3 PRO 102 3HB PRO 102 6.235 -2.446 -10.199 70 HG2 PRO 102 2HG PRO 102 8.781 -2.556 -8.628 71 HG3 PRO 102 3HG PRO 102 7.551 -1.279 -8.678 72 HD2 PRO 102 2HD PRO 102 7.691 -3.090 -6.669 73 HD3 PRO 102 3HD PRO 102 6.154 -2.394 -7.222 74 H ALA 103 H ALA 103 6.879 -6.907 -9.174 75 HA ALA 103 HA ALA 103 8.704 -7.805 -10.977 76 HB1 ALA 103 1HB ALA 103 10.021 -6.345 -8.810 77 HB2 ALA 103 2HB ALA 103 10.678 -7.956 -9.102 78 HB3 ALA 103 3HB ALA 103 10.614 -6.778 -10.414 79 H ALA 104 H ALA 104 7.415 -7.989 -7.768 80 HA ALA 104 HA ALA 104 6.895 -10.767 -7.986 81 HB1 ALA 104 1HB ALA 104 8.376 -11.716 -6.442 82 HB2 ALA 104 2HB ALA 104 9.390 -10.679 -7.446 83 HB3 ALA 104 3HB ALA 104 8.898 -10.142 -5.840 84 H ALA 105 H ALA 105 7.143 -11.104 -5.016 85 HA ALA 105 HA ALA 105 4.826 -9.447 -4.258 86 HB1 ALA 105 1HB ALA 105 3.858 -11.216 -3.171 87 HB2 ALA 105 2HB ALA 105 4.671 -12.057 -4.492 88 HB3 ALA 105 3HB ALA 105 5.398 -12.027 -2.886 89 H ALA 106 H ALA 106 6.003 -7.771 -3.330 90 HA ALA 106 HA ALA 106 7.016 -8.342 -0.669 91 HB1 ALA 106 1HB ALA 106 8.955 -8.511 -2.296 92 HB2 ALA 106 2HB ALA 106 8.764 -6.775 -2.545 93 HB3 ALA 106 3HB ALA 106 9.156 -7.399 -0.943 94 H CYS 107 H CYS 107 5.028 -7.178 -0.216 95 HA CYS 107 HA CYS 107 4.421 -4.602 -1.042 96 HB2 CYS 107 2HB CYS 107 3.876 -5.890 1.641 97 HB3 CYS 107 3HB CYS 107 3.093 -4.430 1.045 98 H CYS 108 H CYS 108 4.451 -2.616 0.363 99 HA CYS 108 HA CYS 108 7.012 -2.393 1.803 100 HB2 CYS 108 2HB CYS 108 6.051 0.069 0.527 101 HB3 CYS 108 3HB CYS 108 7.671 -0.619 0.571 102 H ASP 109 H ASP 109 3.643 -1.695 1.671 103 HA ASP 109 HA ASP 109 3.311 0.424 3.383 104 HB2 ASP 109 2HB ASP 109 1.635 -1.397 2.217 105 HB3 ASP 109 3HB ASP 109 1.469 -1.805 3.922 106 HA PRO 110 HA PRO 110 5.164 -0.974 7.160 107 HB2 PRO 110 2HB PRO 110 4.333 1.097 8.706 108 HB3 PRO 110 3HB PRO 110 5.658 1.237 7.545 109 HG2 PRO 110 2HG PRO 110 2.794 2.061 7.260 110 HG3 PRO 110 3HG PRO 110 4.262 2.929 6.774 111 HD2 PRO 110 2HD PRO 110 2.740 1.541 5.016 112 HD3 PRO 110 3HD PRO 110 4.499 1.699 4.839 113 H ALA 111 H ALA 111 1.843 0.324 7.281 114 HA ALA 111 HA ALA 111 1.131 -1.101 9.636 115 HB1 ALA 111 1HB ALA 111 -0.788 -0.025 7.585 116 HB2 ALA 111 2HB ALA 111 -1.056 -0.264 9.312 117 HB3 ALA 111 3HB ALA 111 0.040 1.001 8.757 118 H ALA 112 H ALA 112 1.007 -1.823 6.222 119 HA ALA 112 HA ALA 112 -0.567 -4.238 6.686 120 HB1 ALA 112 1HB ALA 112 -1.038 -4.265 4.455 121 HB2 ALA 112 2HB ALA 112 -0.743 -2.539 4.670 122 HB3 ALA 112 3HB ALA 112 0.520 -3.573 4.002 123 H SER 113 H SER 113 0.237 -6.203 5.349 124 HA SER 113 HA SER 113 3.049 -6.547 5.043 125 HB2 SER 113 2HB SER 113 1.766 -7.345 7.600 126 HB3 SER 113 3HB SER 113 2.890 -8.501 6.884 127 HG SER 113 HG SER 113 3.687 -6.720 8.379 128 H CYS 114 H CYS 114 3.115 -7.806 3.315 129 HA CYS 114 HA CYS 114 1.001 -9.367 2.366 130 HB2 CYS 114 2HB CYS 114 3.960 -9.513 1.760 131 HB3 CYS 114 3HB CYS 114 2.727 -10.387 0.858 132 H TYR 115 H TYR 115 1.820 -11.830 1.695 133 HA TYR 115 HA TYR 115 2.503 -13.180 4.216 134 HB2 TYR 115 2HB TYR 115 0.087 -13.295 4.008 135 HB3 TYR 115 3HB TYR 115 0.225 -13.897 2.359 136 HD1 TYR 115 HD2 TYR 115 1.138 -16.186 1.961 137 HD2 TYR 115 HD1 TYR 115 0.257 -14.759 5.871 138 HE1 TYR 115 HE2 TYR 115 1.153 -18.497 2.801 139 HE2 TYR 115 HE1 TYR 115 0.271 -17.066 6.723 140 HH TYR 115 HH TYR 115 -0.168 -19.465 5.547 141 H CYS 116 H CYS 116 4.267 -14.347 3.903 142 HA CYS 116 HA CYS 116 5.217 -15.045 1.306 143 HB2 CYS 116 2HB CYS 116 6.188 -16.046 3.990 144 HB3 CYS 116 3HB CYS 116 7.074 -16.093 2.469 145 H ARG 117 H ARG 117 4.608 -16.717 0.117 146 HA ARG 117 HA ARG 117 3.336 -19.009 1.444 147 HB2 ARG 117 2HB ARG 117 2.987 -19.265 -1.321 148 HB3 ARG 117 3HB ARG 117 1.785 -18.758 -0.142 149 HG2 ARG 117 2HG ARG 117 1.729 -17.062 -1.711 150 HG3 ARG 117 3HG ARG 117 2.788 -16.406 -0.461 151 HD2 ARG 117 2HD ARG 117 4.056 -15.944 -2.297 152 HD3 ARG 117 3HD ARG 117 4.648 -17.566 -1.943 153 HE ARG 117 HE ARG 117 3.801 -18.231 -3.947 154 HH11 ARG 117 1HH1 ARG 117 2.099 -15.368 -2.932 155 HH12 ARG 117 2HH1 ARG 117 1.164 -15.251 -4.386 156 HH21 ARG 117 1HH2 ARG 117 2.575 -18.088 -5.865 157 HH22 ARG 117 2HH2 ARG 117 1.435 -16.799 -6.053 158 H PHE 118 H PHE 118 5.960 -18.064 -0.655 159 HA PHE 118 HA PHE 118 7.950 -19.186 -0.998 160 HB2 PHE 118 2HB PHE 118 7.070 -20.646 1.035 161 HB3 PHE 118 3HB PHE 118 6.798 -21.832 -0.238 162 HD1 PHE 118 HD1 PHE 118 9.440 -19.556 1.071 163 HD2 PHE 118 HD2 PHE 118 8.514 -23.246 -0.839 164 HE1 PHE 118 HE1 PHE 118 11.812 -20.201 1.173 165 HE2 PHE 118 HE2 PHE 118 10.884 -23.897 -0.739 166 HZ PHE 118 HZ PHE 118 12.537 -22.374 0.269 167 H PHE 119 H PHE 119 4.881 -20.625 -1.903 168 HA PHE 119 HA PHE 119 5.523 -22.346 -3.906 169 HB2 PHE 119 2HB PHE 119 3.204 -21.326 -3.054 170 HB3 PHE 119 3HB PHE 119 3.365 -20.398 -4.541 171 HD1 PHE 119 HD1 PHE 119 3.802 -23.934 -3.421 172 HD2 PHE 119 HD2 PHE 119 2.319 -21.260 -6.382 173 HE1 PHE 119 HE1 PHE 119 2.922 -25.843 -4.700 174 HE2 PHE 119 HE2 PHE 119 1.436 -23.165 -7.665 175 HZ PHE 119 HZ PHE 119 1.737 -25.460 -6.824 176 H ARG 120 H ARG 120 5.577 -18.828 -4.055 177 HA ARG 120 HA ARG 120 6.763 -19.016 -6.746 178 HB2 ARG 120 2HB ARG 120 5.749 -17.034 -7.365 179 HB3 ARG 120 3HB ARG 120 4.524 -17.735 -6.316 180 HG2 ARG 120 2HG ARG 120 4.531 -15.713 -5.358 181 HG3 ARG 120 3HG ARG 120 5.965 -16.314 -4.524 182 HD2 ARG 120 2HD ARG 120 7.244 -14.789 -5.513 183 HD3 ARG 120 3HD ARG 120 6.684 -15.292 -7.107 184 HE ARG 120 HE ARG 120 5.885 -12.971 -5.679 185 HH11 ARG 120 1HH1 ARG 120 4.711 -15.428 -7.849 186 HH12 ARG 120 2HH1 ARG 120 3.476 -14.421 -8.529 187 HH21 ARG 120 1HH2 ARG 120 4.262 -11.636 -6.566 188 HH22 ARG 120 2HH2 ARG 120 3.221 -12.264 -7.798 189 H SER 121 H SER 121 7.470 -18.470 -3.556 190 HA SER 121 HA SER 121 9.431 -17.854 -2.548 191 HB2 SER 121 2HB SER 121 10.369 -18.470 -4.939 192 HB3 SER 121 3HB SER 121 10.557 -16.723 -5.078 193 HG SER 121 HG SER 121 11.962 -18.531 -3.560 194 H ALA 122 H ALA 122 7.418 -16.250 -2.142 195 HA ALA 122 HA ALA 122 8.553 -13.742 -1.611 196 HB1 ALA 122 1HB ALA 122 7.650 -12.291 -3.185 197 HB2 ALA 122 2HB ALA 122 8.180 -13.662 -4.160 198 HB3 ALA 122 3HB ALA 122 6.474 -13.478 -3.751 199 H CYS 123 H CYS 123 6.615 -12.069 -1.187 200 HA CYS 123 HA CYS 123 4.497 -13.578 0.200 201 HB2 CYS 123 2HB CYS 123 5.538 -10.926 1.168 202 HB3 CYS 123 3HB CYS 123 4.613 -12.134 2.055 203 H TYR 124 H TYR 124 2.610 -13.235 -0.754 204 HA TYR 124 HA TYR 124 2.144 -10.823 -2.297 205 HB2 TYR 124 2HB TYR 124 0.171 -11.910 -3.112 206 HB3 TYR 124 3HB TYR 124 1.463 -13.105 -3.100 207 HD1 TYR 124 HD2 TYR 124 1.548 -14.761 -1.175 208 HD2 TYR 124 HD1 TYR 124 -1.830 -12.289 -1.939 209 HE1 TYR 124 HE2 TYR 124 0.148 -16.269 0.172 210 HE2 TYR 124 HE1 TYR 124 -3.239 -13.789 -0.593 211 HH TYR 124 HH TYR 124 -3.137 -15.461 1.015 212 H CYS 125 H CYS 125 0.535 -9.312 -1.903 213 HA CYS 125 HA CYS 125 -0.013 -8.759 0.826 214 HB2 CYS 125 2HB CYS 125 -0.566 -7.492 -1.781 215 HB3 CYS 125 3HB CYS 125 -1.736 -7.132 -0.515 216 H ARG 126 H ARG 126 -1.071 -10.729 1.480 217 HA ARG 126 HA ARG 126 -3.388 -11.804 0.440 218 HB2 ARG 126 2HB ARG 126 -3.863 -12.455 2.890 219 HB3 ARG 126 3HB ARG 126 -2.384 -13.044 2.144 220 HG2 ARG 126 2HG ARG 126 -1.038 -11.656 3.394 221 HG3 ARG 126 3HG ARG 126 -2.336 -10.498 3.696 222 HD2 ARG 126 2HD ARG 126 -1.677 -11.858 5.685 223 HD3 ARG 126 3HD ARG 126 -3.383 -11.970 5.256 224 HE ARG 126 HE ARG 126 -1.737 -14.045 4.123 225 HH11 ARG 126 1HH1 ARG 126 -3.658 -13.055 6.852 226 HH12 ARG 126 2HH1 ARG 126 -3.964 -14.673 7.390 227 HH21 ARG 126 1HH2 ARG 126 -2.133 -16.181 4.821 228 HH22 ARG 126 2HH2 ARG 126 -3.095 -16.450 6.234 Start of MODEL 7 1 H1 CYS 93 H CYS 93 1.869 0.076 0.817 2 HA CYS 93 HA CYS 93 2.483 1.070 -1.495 3 HB2 CYS 93 2HB CYS 93 3.728 -0.785 -0.090 4 HB3 CYS 93 3HB CYS 93 3.127 -1.847 -1.360 5 H VAL 94 H VAL 94 0.900 -2.127 -1.444 6 HA VAL 94 HA VAL 94 -0.098 -1.566 -4.162 7 HB VAL 94 HB VAL 94 1.495 -3.645 -3.507 8 HG11 VAL 94 1HG1 VAL 94 -0.427 -4.438 -1.996 9 HG12 VAL 94 2HG1 VAL 94 -1.222 -4.911 -3.498 10 HG13 VAL 94 3HG1 VAL 94 0.335 -5.617 -3.063 11 HG21 VAL 94 3HG2 VAL 94 1.188 -3.368 -5.751 12 HG22 VAL 94 1HG2 VAL 94 0.193 -4.803 -5.505 13 HG23 VAL 94 2HG2 VAL 94 -0.563 -3.212 -5.605 14 H ALA 95 H ALA 95 -2.149 -2.821 -4.670 15 HA ALA 95 HA ALA 95 -4.174 -2.038 -2.856 16 HB1 ALA 95 1HB ALA 95 -4.269 -3.812 -5.289 17 HB2 ALA 95 2HB ALA 95 -5.693 -3.276 -4.398 18 HB3 ALA 95 3HB ALA 95 -4.657 -2.094 -5.198 19 H THR 96 H THR 96 -3.918 -5.337 -4.116 20 HA THR 96 HA THR 96 -3.374 -6.669 -1.729 21 HB THR 96 HB THR 96 -6.013 -7.512 -1.762 22 HG1 THR 96 HG1 THR 96 -7.279 -5.781 -1.973 23 HG21 THR 96 3HG2 THR 96 -4.214 -6.739 0.090 24 HG22 THR 96 1HG2 THR 96 -5.916 -7.022 0.448 25 HG23 THR 96 2HG2 THR 96 -5.336 -5.381 0.167 26 H ARG 97 H ARG 97 -2.725 -8.623 -2.338 27 HA ARG 97 HA ARG 97 -2.327 -10.438 -3.661 28 HB2 ARG 97 2HB ARG 97 -4.677 -10.814 -2.658 29 HB3 ARG 97 3HB ARG 97 -5.271 -10.438 -4.270 30 HG2 ARG 97 2HG ARG 97 -3.334 -12.302 -4.781 31 HG3 ARG 97 3HG ARG 97 -4.015 -12.861 -3.252 32 HD2 ARG 97 2HD ARG 97 -5.170 -13.839 -5.181 33 HD3 ARG 97 3HD ARG 97 -6.246 -12.834 -4.211 34 HE ARG 97 HE ARG 97 -5.189 -11.240 -6.239 35 HH11 ARG 97 1HH1 ARG 97 -7.276 -14.004 -5.890 36 HH12 ARG 97 2HH1 ARG 97 -8.193 -13.655 -7.317 37 HH21 ARG 97 1HH2 ARG 97 -6.389 -10.770 -8.120 38 HH22 ARG 97 2HH2 ARG 97 -7.687 -11.816 -8.586 39 H ASN 98 H ASN 98 -1.973 -7.967 -4.979 40 HA ASN 98 HA ASN 98 -2.791 -8.665 -7.724 41 HB2 ASN 98 2HB ASN 98 -3.014 -6.174 -6.253 42 HB3 ASN 98 3HB ASN 98 -2.083 -5.960 -7.732 43 HD21 ASN 98 1HD2 ASN 98 -5.032 -7.586 -6.614 44 HD22 ASN 98 2HD2 ASN 98 -5.988 -7.165 -7.991 45 H SER 99 H SER 99 -0.380 -6.499 -6.238 46 HA SER 99 HA SER 99 1.836 -8.027 -7.199 47 HB2 SER 99 2HB SER 99 1.022 -5.522 -8.668 48 HB3 SER 99 3HB SER 99 2.682 -6.117 -8.684 49 HG SER 99 HG SER 99 0.408 -7.144 -9.899 50 H CYS 100 H CYS 100 2.003 -7.708 -4.824 51 HA CYS 100 HA CYS 100 2.294 -5.517 -3.339 52 HB2 CYS 100 2HB CYS 100 3.666 -8.108 -3.380 53 HB3 CYS 100 3HB CYS 100 4.590 -6.836 -2.588 54 H LYS 101 H LYS 101 4.793 -6.673 -5.582 55 HA LYS 101 HA LYS 101 5.827 -3.939 -5.742 56 HB2 LYS 101 2HB LYS 101 8.081 -4.559 -5.389 57 HB3 LYS 101 3HB LYS 101 7.176 -5.327 -4.091 58 HG2 LYS 101 2HG LYS 101 8.274 -7.178 -4.659 59 HG3 LYS 101 3HG LYS 101 7.164 -7.258 -6.029 60 HD2 LYS 101 2HD LYS 101 9.417 -7.495 -6.839 61 HD3 LYS 101 3HD LYS 101 8.789 -5.928 -7.355 62 HE2 LYS 101 2HE LYS 101 11.139 -5.889 -6.490 63 HE3 LYS 101 3HE LYS 101 10.031 -4.789 -5.673 64 HZ1 LYS 101 3HZ LYS 101 11.605 -6.225 -4.268 65 HZ2 LYS 101 1HZ LYS 101 10.525 -7.486 -4.592 66 HZ3 LYS 101 2HZ LYS 101 9.988 -6.100 -3.787 67 HA PRO 102 HA PRO 102 5.941 -4.736 -10.062 68 HB2 PRO 102 2HB PRO 102 7.896 -3.014 -10.822 69 HB3 PRO 102 3HB PRO 102 6.283 -2.481 -10.333 70 HG2 PRO 102 2HG PRO 102 8.821 -2.542 -8.746 71 HG3 PRO 102 3HG PRO 102 7.583 -1.275 -8.828 72 HD2 PRO 102 2HD PRO 102 7.724 -3.044 -6.782 73 HD3 PRO 102 3HD PRO 102 6.185 -2.370 -7.357 74 H ALA 103 H ALA 103 6.950 -6.916 -9.215 75 HA ALA 103 HA ALA 103 8.800 -7.830 -10.991 76 HB1 ALA 103 1HB ALA 103 10.733 -7.939 -9.050 77 HB2 ALA 103 2HB ALA 103 10.713 -6.827 -10.420 78 HB3 ALA 103 3HB ALA 103 10.081 -6.311 -8.856 79 H ALA 104 H ALA 104 7.485 -7.979 -7.787 80 HA ALA 104 HA ALA 104 6.965 -10.758 -7.981 81 HB1 ALA 104 1HB ALA 104 8.448 -11.703 -6.452 82 HB2 ALA 104 2HB ALA 104 9.467 -10.633 -7.415 83 HB3 ALA 104 3HB ALA 104 8.935 -10.134 -5.809 84 H ALA 105 H ALA 105 7.172 -11.091 -5.019 85 HA ALA 105 HA ALA 105 4.866 -9.410 -4.284 86 HB1 ALA 105 1HB ALA 105 4.661 -12.002 -4.519 87 HB2 ALA 105 2HB ALA 105 5.424 -12.009 -2.928 88 HB3 ALA 105 3HB ALA 105 3.891 -11.170 -3.167 89 H ALA 106 H ALA 106 6.070 -7.742 -3.363 90 HA ALA 106 HA ALA 106 7.042 -8.309 -0.685 91 HB1 ALA 106 1HB ALA 106 8.869 -6.631 -2.318 92 HB2 ALA 106 2HB ALA 106 9.216 -7.674 -0.938 93 HB3 ALA 106 3HB ALA 106 8.939 -8.381 -2.530 94 H CYS 107 H CYS 107 5.086 -7.113 -0.230 95 HA CYS 107 HA CYS 107 4.499 -4.542 -1.088 96 HB2 CYS 107 2HB CYS 107 3.950 -5.823 1.597 97 HB3 CYS 107 3HB CYS 107 3.207 -4.329 1.035 98 H CYS 108 H CYS 108 4.544 -2.545 0.319 99 HA CYS 108 HA CYS 108 7.128 -2.324 1.717 100 HB2 CYS 108 2HB CYS 108 6.160 0.142 0.461 101 HB3 CYS 108 3HB CYS 108 7.773 -0.565 0.461 102 H ASP 109 H ASP 109 3.758 -1.618 1.638 103 HA ASP 109 HA ASP 109 3.463 0.504 3.355 104 HB2 ASP 109 2HB ASP 109 1.757 -1.289 2.205 105 HB3 ASP 109 3HB ASP 109 1.621 -1.729 3.905 106 HA PRO 110 HA PRO 110 5.371 -0.918 7.097 107 HB2 PRO 110 2HB PRO 110 4.605 1.172 8.652 108 HB3 PRO 110 3HB PRO 110 5.911 1.285 7.466 109 HG2 PRO 110 2HG PRO 110 3.058 2.160 7.230 110 HG3 PRO 110 3HG PRO 110 4.532 3.000 6.715 111 HD2 PRO 110 2HD PRO 110 2.954 1.634 4.989 112 HD3 PRO 110 3HD PRO 110 4.712 1.760 4.780 113 H ALA 111 H ALA 111 2.068 0.417 7.247 114 HA ALA 111 HA ALA 111 1.372 -0.970 9.630 115 HB1 ALA 111 1HB ALA 111 -0.330 0.371 7.536 116 HB2 ALA 111 2HB ALA 111 -0.952 -0.285 9.051 117 HB3 ALA 111 3HB ALA 111 0.205 1.045 9.076 118 H ALA 112 H ALA 112 1.226 -1.739 6.233 119 HA ALA 112 HA ALA 112 -0.378 -4.129 6.742 120 HB1 ALA 112 1HB ALA 112 -0.883 -4.174 4.517 121 HB2 ALA 112 2HB ALA 112 -0.568 -2.449 4.711 122 HB3 ALA 112 3HB ALA 112 0.675 -3.502 4.035 123 H SER 113 H SER 113 0.413 -6.077 5.301 124 HA SER 113 HA SER 113 3.205 -6.460 4.993 125 HB2 SER 113 2HB SER 113 3.520 -6.671 7.284 126 HB3 SER 113 3HB SER 113 1.925 -7.376 7.543 127 HG SER 113 HG SER 113 4.236 -8.606 6.470 128 H CYS 114 H CYS 114 3.240 -7.740 3.280 129 HA CYS 114 HA CYS 114 1.096 -9.287 2.374 130 HB2 CYS 114 2HB CYS 114 4.044 -9.469 1.728 131 HB3 CYS 114 3HB CYS 114 2.789 -10.338 0.851 132 H TYR 115 H TYR 115 1.879 -11.764 1.714 133 HA TYR 115 HA TYR 115 2.577 -13.098 4.240 134 HB2 TYR 115 2HB TYR 115 0.156 -13.193 4.046 135 HB3 TYR 115 3HB TYR 115 0.282 -13.818 2.405 136 HD1 TYR 115 HD2 TYR 115 1.199 -16.118 2.039 137 HD2 TYR 115 HD1 TYR 115 0.303 -14.633 5.925 138 HE1 TYR 115 HE2 TYR 115 1.202 -18.417 2.912 139 HE2 TYR 115 HE1 TYR 115 0.305 -16.928 6.809 140 HH TYR 115 HH TYR 115 0.850 -19.074 6.360 141 H CYS 116 H CYS 116 4.335 -14.273 3.921 142 HA CYS 116 HA CYS 116 5.256 -15.004 1.323 143 HB2 CYS 116 2HB CYS 116 6.243 -15.973 4.013 144 HB3 CYS 116 3HB CYS 116 7.113 -16.062 2.485 145 H ARG 117 H ARG 117 4.621 -16.682 0.156 146 HA ARG 117 HA ARG 117 3.356 -18.957 1.519 147 HB2 ARG 117 2HB ARG 117 2.960 -19.229 -1.238 148 HB3 ARG 117 3HB ARG 117 1.780 -18.709 -0.042 149 HG2 ARG 117 2HG ARG 117 1.703 -17.022 -1.617 150 HG3 ARG 117 3HG ARG 117 2.790 -16.364 -0.393 151 HD2 ARG 117 2HD ARG 117 4.028 -15.921 -2.252 152 HD3 ARG 117 3HD ARG 117 4.611 -17.549 -1.908 153 HE ARG 117 HE ARG 117 3.700 -18.220 -3.883 154 HH11 ARG 117 1HH1 ARG 117 2.108 -15.294 -2.873 155 HH12 ARG 117 2HH1 ARG 117 1.157 -15.159 -4.315 156 HH21 ARG 117 1HH2 ARG 117 2.454 -18.053 -5.787 157 HH22 ARG 117 2HH2 ARG 117 1.354 -16.729 -5.972 158 H PHE 118 H PHE 118 5.945 -18.039 -0.637 159 HA PHE 118 HA PHE 118 7.925 -19.172 -1.005 160 HB2 PHE 118 2HB PHE 118 7.059 -20.620 1.050 161 HB3 PHE 118 3HB PHE 118 6.786 -21.812 -0.216 162 HD1 PHE 118 HD2 PHE 118 9.481 -19.368 0.632 163 HD2 PHE 118 HD1 PHE 118 8.448 -23.370 -0.386 164 HE1 PHE 118 HE2 PHE 118 11.857 -20.001 0.722 165 HE2 PHE 118 HE1 PHE 118 10.822 -24.009 -0.296 166 HZ PHE 118 HZ PHE 118 12.530 -22.324 0.257 167 H PHE 119 H PHE 119 4.830 -20.576 -1.857 168 HA PHE 119 HA PHE 119 5.424 -22.324 -3.855 169 HB2 PHE 119 2HB PHE 119 3.129 -21.278 -2.975 170 HB3 PHE 119 3HB PHE 119 3.278 -20.355 -4.467 171 HD1 PHE 119 HD1 PHE 119 3.831 -23.902 -3.433 172 HD2 PHE 119 HD2 PHE 119 2.059 -21.200 -6.204 173 HE1 PHE 119 HE1 PHE 119 2.913 -25.804 -4.696 174 HE2 PHE 119 HE2 PHE 119 1.137 -23.098 -7.470 175 HZ PHE 119 HZ PHE 119 1.564 -25.404 -6.717 176 H ARG 120 H ARG 120 5.480 -18.804 -4.045 177 HA ARG 120 HA ARG 120 6.633 -19.025 -6.748 178 HB2 ARG 120 2HB ARG 120 5.628 -17.038 -7.363 179 HB3 ARG 120 3HB ARG 120 4.415 -17.716 -6.286 180 HG2 ARG 120 2HG ARG 120 4.463 -15.688 -5.341 181 HG3 ARG 120 3HG ARG 120 5.910 -16.296 -4.534 182 HD2 ARG 120 2HD ARG 120 7.175 -14.784 -5.558 183 HD3 ARG 120 3HD ARG 120 6.590 -15.306 -7.137 184 HE ARG 120 HE ARG 120 5.817 -12.964 -5.726 185 HH11 ARG 120 1HH1 ARG 120 4.621 -15.438 -7.864 186 HH12 ARG 120 2HH1 ARG 120 3.384 -14.434 -8.546 187 HH21 ARG 120 1HH2 ARG 120 4.193 -11.632 -6.616 188 HH22 ARG 120 2HH2 ARG 120 3.142 -12.269 -7.836 189 H SER 121 H SER 121 7.414 -18.487 -3.580 190 HA SER 121 HA SER 121 9.398 -17.884 -2.611 191 HB2 SER 121 2HB SER 121 10.478 -16.771 -5.172 192 HB3 SER 121 3HB SER 121 11.318 -17.632 -3.882 193 HG SER 121 HG SER 121 10.499 -19.542 -4.626 194 H ALA 122 H ALA 122 7.404 -16.260 -2.174 195 HA ALA 122 HA ALA 122 8.573 -13.763 -1.664 196 HB1 ALA 122 1HB ALA 122 6.458 -13.483 -3.767 197 HB2 ALA 122 2HB ALA 122 7.654 -12.305 -3.224 198 HB3 ALA 122 3HB ALA 122 8.155 -13.681 -4.206 199 H CYS 123 H CYS 123 6.621 -12.069 -1.258 200 HA CYS 123 HA CYS 123 4.532 -13.558 0.193 201 HB2 CYS 123 2HB CYS 123 5.597 -10.901 1.120 202 HB3 CYS 123 3HB CYS 123 4.685 -12.099 2.033 203 H TYR 124 H TYR 124 2.642 -13.226 -0.762 204 HA TYR 124 HA TYR 124 2.156 -10.829 -2.316 205 HB2 TYR 124 2HB TYR 124 0.163 -11.914 -3.077 206 HB3 TYR 124 3HB TYR 124 1.442 -13.123 -3.062 207 HD1 TYR 124 HD1 TYR 124 1.541 -14.740 -1.104 208 HD2 TYR 124 HD2 TYR 124 -1.823 -12.249 -1.867 209 HE1 TYR 124 HE1 TYR 124 0.146 -16.204 0.297 210 HE2 TYR 124 HE2 TYR 124 -3.226 -13.705 -0.467 211 HH TYR 124 HH TYR 124 -1.955 -16.041 1.609 212 H CYS 125 H CYS 125 0.591 -9.286 -1.905 213 HA CYS 125 HA CYS 125 0.090 -8.697 0.825 214 HB2 CYS 125 2HB CYS 125 -0.417 -7.436 -1.777 215 HB3 CYS 125 3HB CYS 125 -1.646 -7.085 -0.566 216 H ARG 126 H ARG 126 -1.005 -10.586 1.572 217 HA ARG 126 HA ARG 126 -3.376 -11.619 0.546 218 HB2 ARG 126 2HB ARG 126 -3.776 -12.347 2.973 219 HB3 ARG 126 3HB ARG 126 -2.312 -12.916 2.184 220 HG2 ARG 126 2HG ARG 126 -0.941 -11.584 3.459 221 HG3 ARG 126 3HG ARG 126 -2.219 -10.416 3.802 222 HD2 ARG 126 2HD ARG 126 -1.556 -11.828 5.752 223 HD3 ARG 126 3HD ARG 126 -3.269 -11.909 5.340 224 HE ARG 126 HE ARG 126 -1.672 -13.979 4.136 225 HH11 ARG 126 1HH1 ARG 126 -3.510 -13.025 6.934 226 HH12 ARG 126 2HH1 ARG 126 -3.822 -14.651 7.445 227 HH21 ARG 126 1HH2 ARG 126 -2.075 -16.124 4.798 228 HH22 ARG 126 2HH2 ARG 126 -3.004 -16.413 6.230 Start of MODEL 8 1 H1 CYS 93 H CYS 93 1.686 -0.111 0.923 2 HA CYS 93 HA CYS 93 2.330 0.965 -1.344 3 HB2 CYS 93 2HB CYS 93 3.585 -0.904 0.032 4 HB3 CYS 93 3HB CYS 93 3.033 -1.941 -1.279 5 H VAL 94 H VAL 94 0.789 -2.252 -1.413 6 HA VAL 94 HA VAL 94 -0.111 -1.656 -4.157 7 HB VAL 94 HB VAL 94 1.426 -3.756 -3.454 8 HG11 VAL 94 1HG1 VAL 94 0.223 -5.717 -3.055 9 HG12 VAL 94 2HG1 VAL 94 -0.545 -4.530 -2.000 10 HG13 VAL 94 3HG1 VAL 94 -1.310 -4.983 -3.523 11 HG21 VAL 94 3HG2 VAL 94 -0.555 -3.296 -5.616 12 HG22 VAL 94 1HG2 VAL 94 1.196 -3.486 -5.704 13 HG23 VAL 94 2HG2 VAL 94 0.166 -4.901 -5.491 14 H ALA 95 H ALA 95 -2.158 -2.875 -4.753 15 HA ALA 95 HA ALA 95 -4.248 -2.059 -3.036 16 HB1 ALA 95 1HB ALA 95 -5.620 -3.573 -4.655 17 HB2 ALA 95 2HB ALA 95 -4.877 -2.089 -5.252 18 HB3 ALA 95 3HB ALA 95 -4.108 -3.646 -5.561 19 H THR 96 H THR 96 -3.996 -5.377 -4.243 20 HA THR 96 HA THR 96 -3.573 -6.677 -1.808 21 HB THR 96 HB THR 96 -6.217 -7.500 -1.984 22 HG1 THR 96 HG1 THR 96 -7.025 -5.789 -3.050 23 HG21 THR 96 3HG2 THR 96 -6.294 -6.923 0.226 24 HG22 THR 96 1HG2 THR 96 -5.522 -5.361 -0.041 25 HG23 THR 96 2HG2 THR 96 -4.550 -6.833 -0.024 26 H ARG 97 H ARG 97 -2.862 -8.616 -2.386 27 HA ARG 97 HA ARG 97 -2.394 -10.439 -3.677 28 HB2 ARG 97 2HB ARG 97 -4.732 -10.875 -2.708 29 HB3 ARG 97 3HB ARG 97 -5.336 -10.487 -4.314 30 HG2 ARG 97 2HG ARG 97 -3.376 -12.315 -4.858 31 HG3 ARG 97 3HG ARG 97 -4.036 -12.903 -3.330 32 HD2 ARG 97 2HD ARG 97 -5.191 -13.878 -5.260 33 HD3 ARG 97 3HD ARG 97 -6.275 -12.900 -4.270 34 HE ARG 97 HE ARG 97 -5.270 -11.260 -6.280 35 HH11 ARG 97 1HH1 ARG 97 -7.270 -14.094 -5.979 36 HH12 ARG 97 2HH1 ARG 97 -8.194 -13.753 -7.404 37 HH21 ARG 97 1HH2 ARG 97 -6.480 -10.800 -8.158 38 HH22 ARG 97 2HH2 ARG 97 -7.743 -11.879 -8.643 39 H ASN 98 H ASN 98 -2.065 -7.982 -5.029 40 HA ASN 98 HA ASN 98 -2.834 -8.726 -7.775 41 HB2 ASN 98 2HB ASN 98 -3.052 -6.209 -6.340 42 HB3 ASN 98 3HB ASN 98 -2.123 -6.028 -7.824 43 HD21 ASN 98 1HD2 ASN 98 -5.206 -6.872 -6.454 44 HD22 ASN 98 2HD2 ASN 98 -6.113 -6.761 -7.921 45 H SER 99 H SER 99 -0.418 -6.608 -6.223 46 HA SER 99 HA SER 99 1.795 -8.138 -7.166 47 HB2 SER 99 2HB SER 99 1.097 -7.085 -9.297 48 HB3 SER 99 3HB SER 99 1.281 -5.495 -8.555 49 HG SER 99 HG SER 99 3.359 -7.413 -8.810 50 H CYS 100 H CYS 100 1.920 -7.801 -4.788 51 HA CYS 100 HA CYS 100 2.205 -5.621 -3.301 52 HB2 CYS 100 2HB CYS 100 3.610 -8.198 -3.346 53 HB3 CYS 100 3HB CYS 100 4.499 -6.918 -2.527 54 H LYS 101 H LYS 101 4.754 -6.768 -5.497 55 HA LYS 101 HA LYS 101 5.767 -4.022 -5.645 56 HB2 LYS 101 2HB LYS 101 8.017 -4.636 -5.282 57 HB3 LYS 101 3HB LYS 101 7.110 -5.439 -4.007 58 HG2 LYS 101 2HG LYS 101 8.229 -7.267 -4.609 59 HG3 LYS 101 3HG LYS 101 7.123 -7.328 -5.984 60 HD2 LYS 101 2HD LYS 101 9.371 -7.527 -6.804 61 HD3 LYS 101 3HD LYS 101 8.746 -5.943 -7.269 62 HE2 LYS 101 2HE LYS 101 11.086 -5.908 -6.412 63 HE3 LYS 101 3HE LYS 101 9.975 -4.872 -5.518 64 HZ1 LYS 101 3HZ LYS 101 11.587 -6.370 -4.222 65 HZ2 LYS 101 1HZ LYS 101 10.513 -7.621 -4.603 66 HZ3 LYS 101 2HZ LYS 101 9.977 -6.289 -3.710 67 HA PRO 102 HA PRO 102 5.886 -4.774 -9.973 68 HB2 PRO 102 2HB PRO 102 7.827 -3.026 -10.713 69 HB3 PRO 102 3HB PRO 102 6.209 -2.513 -10.220 70 HG2 PRO 102 2HG PRO 102 8.744 -2.568 -8.630 71 HG3 PRO 102 3HG PRO 102 7.495 -1.312 -8.700 72 HD2 PRO 102 2HD PRO 102 7.649 -3.101 -6.673 73 HD3 PRO 102 3HD PRO 102 6.106 -2.434 -7.244 74 H ALA 103 H ALA 103 6.912 -6.954 -9.152 75 HA ALA 103 HA ALA 103 8.766 -7.840 -10.932 76 HB1 ALA 103 1HB ALA 103 10.668 -6.811 -10.368 77 HB2 ALA 103 2HB ALA 103 10.043 -6.320 -8.793 78 HB3 ALA 103 3HB ALA 103 10.714 -7.936 -9.010 79 H ALA 104 H ALA 104 7.453 -8.017 -7.732 80 HA ALA 104 HA ALA 104 6.984 -10.807 -7.933 81 HB1 ALA 104 1HB ALA 104 9.511 -10.497 -7.280 82 HB2 ALA 104 2HB ALA 104 8.835 -10.246 -5.670 83 HB3 ALA 104 3HB ALA 104 8.526 -11.754 -6.530 84 H ALA 105 H ALA 105 7.171 -11.136 -4.970 85 HA ALA 105 HA ALA 105 4.835 -9.486 -4.250 86 HB1 ALA 105 1HB ALA 105 5.378 -12.080 -2.890 87 HB2 ALA 105 2HB ALA 105 3.844 -11.265 -3.195 88 HB3 ALA 105 3HB ALA 105 4.680 -12.093 -4.509 89 H ALA 106 H ALA 106 5.993 -7.821 -3.282 90 HA ALA 106 HA ALA 106 6.946 -8.413 -0.605 91 HB1 ALA 106 1HB ALA 106 8.876 -8.479 -2.383 92 HB2 ALA 106 2HB ALA 106 8.771 -6.723 -2.243 93 HB3 ALA 106 3HB ALA 106 9.114 -7.702 -0.817 94 H CYS 107 H CYS 107 4.966 -7.241 -0.171 95 HA CYS 107 HA CYS 107 4.380 -4.660 -1.001 96 HB2 CYS 107 2HB CYS 107 3.783 -5.972 1.659 97 HB3 CYS 107 3HB CYS 107 3.029 -4.490 1.080 98 H CYS 108 H CYS 108 4.389 -2.682 0.423 99 HA CYS 108 HA CYS 108 6.937 -2.471 1.888 100 HB2 CYS 108 2HB CYS 108 5.975 0.007 0.643 101 HB3 CYS 108 3HB CYS 108 7.596 -0.680 0.681 102 H ASP 109 H ASP 109 3.566 -1.782 1.745 103 HA ASP 109 HA ASP 109 3.215 0.311 3.485 104 HB2 ASP 109 2HB ASP 109 1.551 -1.490 2.282 105 HB3 ASP 109 3HB ASP 109 1.384 -1.943 3.976 106 HA PRO 110 HA PRO 110 5.063 -1.138 7.247 107 HB2 PRO 110 2HB PRO 110 4.240 0.921 8.813 108 HB3 PRO 110 3HB PRO 110 5.568 1.066 7.656 109 HG2 PRO 110 2HG PRO 110 2.709 1.909 7.374 110 HG3 PRO 110 3HG PRO 110 4.183 2.774 6.900 111 HD2 PRO 110 2HD PRO 110 2.657 1.413 5.125 112 HD3 PRO 110 3HD PRO 110 4.418 1.563 4.953 113 H ALA 111 H ALA 111 1.741 0.153 7.345 114 HA ALA 111 HA ALA 111 1.015 -1.277 9.696 115 HB1 ALA 111 1HB ALA 111 -1.268 -0.562 9.181 116 HB2 ALA 111 2HB ALA 111 -0.125 0.775 9.049 117 HB3 ALA 111 3HB ALA 111 -0.736 -0.010 7.593 118 H ALA 112 H ALA 112 0.901 -1.977 6.276 119 HA ALA 112 HA ALA 112 -0.679 -4.391 6.714 120 HB1 ALA 112 1HB ALA 112 0.449 -3.716 4.048 121 HB2 ALA 112 2HB ALA 112 -1.115 -4.413 4.472 122 HB3 ALA 112 3HB ALA 112 -0.826 -2.688 4.703 123 H SER 113 H SER 113 0.154 -6.326 5.295 124 HA SER 113 HA SER 113 2.960 -6.689 5.056 125 HB2 SER 113 2HB SER 113 3.121 -8.485 6.841 126 HB3 SER 113 3HB SER 113 3.019 -6.829 7.439 127 HG SER 113 HG SER 113 1.564 -7.973 8.617 128 H CYS 114 H CYS 114 3.041 -7.933 3.317 129 HA CYS 114 HA CYS 114 0.933 -9.482 2.334 130 HB2 CYS 114 2HB CYS 114 3.897 -9.621 1.752 131 HB3 CYS 114 3HB CYS 114 2.673 -10.490 0.832 132 H TYR 115 H TYR 115 1.762 -11.939 1.646 133 HA TYR 115 HA TYR 115 2.423 -13.313 4.159 134 HB2 TYR 115 2HB TYR 115 0.010 -13.428 3.939 135 HB3 TYR 115 3HB TYR 115 0.154 -14.004 2.282 136 HD1 TYR 115 HD2 TYR 115 1.037 -16.290 1.846 137 HD2 TYR 115 HD1 TYR 115 0.200 -14.919 5.786 138 HE1 TYR 115 HE2 TYR 115 1.046 -18.614 2.651 139 HE2 TYR 115 HE1 TYR 115 0.208 -17.239 6.602 140 HH TYR 115 HH TYR 115 1.377 -19.835 4.745 141 H CYS 116 H CYS 116 4.191 -14.476 3.846 142 HA CYS 116 HA CYS 116 5.160 -15.149 1.251 143 HB2 CYS 116 2HB CYS 116 6.100 -16.178 3.936 144 HB3 CYS 116 3HB CYS 116 6.999 -16.226 2.423 145 H ARG 117 H ARG 117 4.558 -16.804 0.035 146 HA ARG 117 HA ARG 117 3.265 -19.108 1.321 147 HB2 ARG 117 2HB ARG 117 2.941 -19.327 -1.450 148 HB3 ARG 117 3HB ARG 117 1.730 -18.831 -0.276 149 HG2 ARG 117 2HG ARG 117 1.693 -17.115 -1.822 150 HG3 ARG 117 3HG ARG 117 2.746 -16.478 -0.556 151 HD2 ARG 117 2HD ARG 117 4.029 -15.999 -2.378 152 HD3 ARG 117 3HD ARG 117 4.611 -17.629 -2.040 153 HE ARG 117 HE ARG 117 3.771 -18.268 -4.056 154 HH11 ARG 117 1HH1 ARG 117 2.090 -15.399 -3.025 155 HH12 ARG 117 2HH1 ARG 117 1.168 -15.256 -4.485 156 HH21 ARG 117 1HH2 ARG 117 2.563 -18.091 -5.983 157 HH22 ARG 117 2HH2 ARG 117 1.438 -16.788 -6.167 158 H PHE 118 H PHE 118 5.911 -18.144 -0.742 159 HA PHE 118 HA PHE 118 7.902 -19.268 -1.081 160 HB2 PHE 118 2HB PHE 118 6.997 -20.753 0.923 161 HB3 PHE 118 3HB PHE 118 6.734 -21.920 -0.368 162 HD1 PHE 118 HD2 PHE 118 9.315 -19.827 1.261 163 HD2 PHE 118 HD1 PHE 118 8.505 -23.177 -1.236 164 HE1 PHE 118 HE2 PHE 118 11.684 -20.482 1.378 165 HE2 PHE 118 HE1 PHE 118 10.873 -23.838 -1.123 166 HZ PHE 118 HZ PHE 118 12.466 -22.489 0.185 167 H PHE 119 H PHE 119 4.836 -20.678 -2.037 168 HA PHE 119 HA PHE 119 5.491 -22.376 -4.057 169 HB2 PHE 119 2HB PHE 119 3.167 -21.368 -3.212 170 HB3 PHE 119 3HB PHE 119 3.345 -20.409 -4.678 171 HD1 PHE 119 HD2 PHE 119 3.524 -21.555 -6.879 172 HD2 PHE 119 HD1 PHE 119 2.553 -23.642 -3.298 173 HE1 PHE 119 HE2 PHE 119 2.651 -23.430 -8.212 174 HE2 PHE 119 HE1 PHE 119 1.679 -25.520 -4.626 175 HZ PHE 119 HZ PHE 119 1.726 -25.415 -7.086 176 H ARG 120 H ARG 120 5.552 -18.856 -4.159 177 HA ARG 120 HA ARG 120 6.766 -19.011 -6.840 178 HB2 ARG 120 2HB ARG 120 5.763 -17.017 -7.441 179 HB3 ARG 120 3HB ARG 120 4.525 -17.731 -6.416 180 HG2 ARG 120 2HG ARG 120 4.527 -15.717 -5.435 181 HG3 ARG 120 3HG ARG 120 5.942 -16.340 -4.584 182 HD2 ARG 120 2HD ARG 120 7.257 -14.821 -5.536 183 HD3 ARG 120 3HD ARG 120 6.701 -15.280 -7.146 184 HE ARG 120 HE ARG 120 5.935 -12.976 -5.685 185 HH11 ARG 120 1HH1 ARG 120 4.698 -15.390 -7.867 186 HH12 ARG 120 2HH1 ARG 120 3.469 -14.358 -8.520 187 HH21 ARG 120 1HH2 ARG 120 4.321 -11.607 -6.536 188 HH22 ARG 120 2HH2 ARG 120 3.256 -12.206 -7.763 189 H SER 121 H SER 121 7.444 -18.512 -3.636 190 HA SER 121 HA SER 121 9.397 -17.915 -2.601 191 HB2 SER 121 2HB SER 121 10.347 -18.487 -5.007 192 HB3 SER 121 3HB SER 121 10.559 -16.739 -5.091 193 HG SER 121 HG SER 121 11.497 -18.291 -2.918 194 H ALA 122 H ALA 122 7.382 -16.314 -2.193 195 HA ALA 122 HA ALA 122 8.516 -13.816 -1.611 196 HB1 ALA 122 1HB ALA 122 7.637 -12.340 -3.174 197 HB2 ALA 122 2HB ALA 122 8.168 -13.700 -4.164 198 HB3 ALA 122 3HB ALA 122 6.460 -13.513 -3.767 199 H CYS 123 H CYS 123 6.575 -12.146 -1.187 200 HA CYS 123 HA CYS 123 4.441 -13.672 0.159 201 HB2 CYS 123 2HB CYS 123 5.469 -11.031 1.170 202 HB3 CYS 123 3HB CYS 123 4.539 -12.251 2.032 203 H TYR 124 H TYR 124 2.564 -13.318 -0.810 204 HA TYR 124 HA TYR 124 2.114 -10.890 -2.332 205 HB2 TYR 124 2HB TYR 124 0.143 -11.967 -3.170 206 HB3 TYR 124 3HB TYR 124 1.437 -13.160 -3.165 207 HD1 TYR 124 HD1 TYR 124 1.511 -14.842 -1.264 208 HD2 TYR 124 HD2 TYR 124 -1.863 -12.361 -2.011 209 HE1 TYR 124 HE1 TYR 124 0.105 -16.367 0.057 210 HE2 TYR 124 HE2 TYR 124 -3.279 -13.878 -0.691 211 HH TYR 124 HH TYR 124 -2.788 -16.770 -0.064 212 H CYS 125 H CYS 125 0.500 -9.382 -1.938 213 HA CYS 125 HA CYS 125 -0.069 -8.852 0.790 214 HB2 CYS 125 2HB CYS 125 -0.576 -7.557 -1.806 215 HB3 CYS 125 3HB CYS 125 -1.787 -7.222 -0.572 216 H ARG 126 H ARG 126 -1.132 -10.832 1.413 217 HA ARG 126 HA ARG 126 -3.443 -11.892 0.345 218 HB2 ARG 126 2HB ARG 126 -3.937 -12.576 2.780 219 HB3 ARG 126 3HB ARG 126 -2.446 -13.149 2.044 220 HG2 ARG 126 2HG ARG 126 -1.122 -11.801 3.343 221 HG3 ARG 126 3HG ARG 126 -2.402 -10.615 3.606 222 HD2 ARG 126 2HD ARG 126 -3.270 -11.744 5.365 223 HD3 ARG 126 3HD ARG 126 -2.896 -13.321 4.673 224 HE ARG 126 HE ARG 126 -0.873 -13.294 5.763 225 HH11 ARG 126 1HH1 ARG 126 -2.323 -10.132 5.904 226 HH12 ARG 126 2HH1 ARG 126 -1.179 -9.515 7.049 227 HH21 ARG 126 1HH2 ARG 126 0.639 -12.493 7.271 228 HH22 ARG 126 2HH2 ARG 126 0.506 -10.859 7.825 Start of MODEL 9 1 H1 CYS 93 H CYS 93 1.742 -0.049 0.872 2 HA CYS 93 HA CYS 93 2.391 1.025 -1.410 3 HB2 CYS 93 2HB CYS 93 3.639 -0.828 -0.010 4 HB3 CYS 93 3HB CYS 93 3.075 -1.886 -1.299 5 H VAL 94 H VAL 94 0.826 -2.180 -1.431 6 HA VAL 94 HA VAL 94 -0.070 -1.619 -4.183 7 HB VAL 94 HB VAL 94 1.451 -3.720 -3.448 8 HG11 VAL 94 1HG1 VAL 94 0.232 -5.666 -3.024 9 HG12 VAL 94 2HG1 VAL 94 -0.526 -4.458 -1.985 10 HG13 VAL 94 3HG1 VAL 94 -1.295 -4.926 -3.502 11 HG21 VAL 94 3HG2 VAL 94 -0.521 -3.271 -5.620 12 HG22 VAL 94 1HG2 VAL 94 1.228 -3.486 -5.702 13 HG23 VAL 94 2HG2 VAL 94 0.177 -4.883 -5.471 14 H ALA 95 H ALA 95 -2.123 -2.859 -4.755 15 HA ALA 95 HA ALA 95 -4.209 -1.991 -3.057 16 HB1 ALA 95 1HB ALA 95 -5.678 -3.276 -4.619 17 HB2 ALA 95 2HB ALA 95 -4.608 -2.114 -5.405 18 HB3 ALA 95 3HB ALA 95 -4.219 -3.834 -5.438 19 H THR 96 H THR 96 -3.974 -5.334 -4.195 20 HA THR 96 HA THR 96 -3.556 -6.586 -1.735 21 HB THR 96 HB THR 96 -6.200 -7.401 -1.876 22 HG1 THR 96 HG1 THR 96 -6.898 -5.677 -3.075 23 HG21 THR 96 3HG2 THR 96 -6.245 -6.788 0.316 24 HG22 THR 96 1HG2 THR 96 -5.539 -5.203 0.002 25 HG23 THR 96 2HG2 THR 96 -4.509 -6.634 0.050 26 H ARG 97 H ARG 97 -2.855 -8.539 -2.278 27 HA ARG 97 HA ARG 97 -2.400 -10.388 -3.538 28 HB2 ARG 97 2HB ARG 97 -4.727 -10.801 -2.537 29 HB3 ARG 97 3HB ARG 97 -5.348 -10.441 -4.143 30 HG2 ARG 97 2HG ARG 97 -3.400 -12.283 -4.677 31 HG3 ARG 97 3HG ARG 97 -4.041 -12.842 -3.130 32 HD2 ARG 97 2HD ARG 97 -5.226 -13.852 -5.020 33 HD3 ARG 97 3HD ARG 97 -6.294 -12.845 -4.044 34 HE ARG 97 HE ARG 97 -5.303 -11.257 -6.101 35 HH11 ARG 97 1HH1 ARG 97 -7.307 -14.078 -5.718 36 HH12 ARG 97 2HH1 ARG 97 -8.242 -13.768 -7.143 37 HH21 ARG 97 1HH2 ARG 97 -6.527 -10.838 -7.979 38 HH22 ARG 97 2HH2 ARG 97 -7.797 -11.925 -8.429 39 H ASN 98 H ASN 98 -2.057 -7.975 -4.946 40 HA ASN 98 HA ASN 98 -2.861 -8.770 -7.668 41 HB2 ASN 98 2HB ASN 98 -3.062 -6.223 -6.285 42 HB3 ASN 98 3HB ASN 98 -2.143 -6.075 -7.780 43 HD21 ASN 98 1HD2 ASN 98 -3.155 -6.963 -9.732 44 HD22 ASN 98 2HD2 ASN 98 -4.872 -6.849 -9.891 45 H SER 99 H SER 99 -0.428 -6.619 -6.190 46 HA SER 99 HA SER 99 1.774 -8.176 -7.114 47 HB2 SER 99 2HB SER 99 1.223 -7.274 -9.279 48 HB3 SER 99 3HB SER 99 1.085 -5.644 -8.620 49 HG SER 99 HG SER 99 3.116 -5.474 -9.101 50 H CYS 100 H CYS 100 1.920 -7.783 -4.745 51 HA CYS 100 HA CYS 100 2.220 -5.572 -3.310 52 HB2 CYS 100 2HB CYS 100 3.642 -8.144 -3.320 53 HB3 CYS 100 3HB CYS 100 4.522 -6.841 -2.527 54 H LYS 101 H LYS 101 4.748 -6.759 -5.508 55 HA LYS 101 HA LYS 101 5.758 -4.014 -5.715 56 HB2 LYS 101 2HB LYS 101 8.015 -4.635 -5.395 57 HB3 LYS 101 3HB LYS 101 7.130 -5.407 -4.086 58 HG2 LYS 101 2HG LYS 101 8.213 -7.260 -4.674 59 HG3 LYS 101 3HG LYS 101 7.092 -7.329 -6.036 60 HD2 LYS 101 2HD LYS 101 9.346 -7.565 -6.857 61 HD3 LYS 101 3HD LYS 101 8.708 -6.001 -7.370 62 HE2 LYS 101 2HE LYS 101 10.396 -4.960 -6.372 63 HE3 LYS 101 3HE LYS 101 9.962 -5.693 -4.829 64 HZ1 LYS 101 3HZ LYS 101 12.171 -6.255 -6.485 65 HZ2 LYS 101 1HZ LYS 101 11.232 -7.654 -6.327 66 HZ3 LYS 101 2HZ LYS 101 11.817 -6.868 -4.949 67 HA PRO 102 HA PRO 102 5.795 -4.816 -10.036 68 HB2 PRO 102 2HB PRO 102 7.726 -3.081 -10.831 69 HB3 PRO 102 3HB PRO 102 6.119 -2.558 -10.315 70 HG2 PRO 102 2HG PRO 102 8.683 -2.602 -8.771 71 HG3 PRO 102 3HG PRO 102 7.436 -1.343 -8.832 72 HD2 PRO 102 2HD PRO 102 7.623 -3.110 -6.789 73 HD3 PRO 102 3HD PRO 102 6.071 -2.446 -7.338 74 H ALA 103 H ALA 103 6.830 -6.989 -9.210 75 HA ALA 103 HA ALA 103 8.645 -7.904 -11.013 76 HB1 ALA 103 1HB ALA 103 9.972 -6.368 -8.907 77 HB2 ALA 103 2HB ALA 103 10.644 -7.980 -9.155 78 HB3 ALA 103 3HB ALA 103 10.551 -6.847 -10.503 79 H ALA 104 H ALA 104 7.404 -8.030 -7.782 80 HA ALA 104 HA ALA 104 6.939 -10.827 -7.931 81 HB1 ALA 104 1HB ALA 104 9.437 -10.637 -7.383 82 HB2 ALA 104 2HB ALA 104 8.906 -10.108 -5.785 83 HB3 ALA 104 3HB ALA 104 8.449 -11.703 -6.383 84 H ALA 105 H ALA 105 7.180 -11.084 -4.957 85 HA ALA 105 HA ALA 105 4.850 -9.427 -4.234 86 HB1 ALA 105 1HB ALA 105 3.855 -11.188 -3.158 87 HB2 ALA 105 2HB ALA 105 4.678 -12.038 -4.466 88 HB3 ALA 105 3HB ALA 105 5.386 -12.009 -2.851 89 H ALA 106 H ALA 106 5.998 -7.760 -3.275 90 HA ALA 106 HA ALA 106 6.993 -8.339 -0.612 91 HB1 ALA 106 1HB ALA 106 8.764 -7.728 -2.839 92 HB2 ALA 106 2HB ALA 106 8.960 -6.623 -1.478 93 HB3 ALA 106 3HB ALA 106 9.135 -8.361 -1.236 94 H CYS 107 H CYS 107 5.008 -7.161 -0.180 95 HA CYS 107 HA CYS 107 4.420 -4.585 -1.012 96 HB2 CYS 107 2HB CYS 107 3.857 -5.865 1.671 97 HB3 CYS 107 3HB CYS 107 3.087 -4.399 1.072 98 H CYS 108 H CYS 108 4.450 -2.597 0.397 99 HA CYS 108 HA CYS 108 7.010 -2.380 1.839 100 HB2 CYS 108 2HB CYS 108 6.066 0.091 0.575 101 HB3 CYS 108 3HB CYS 108 7.677 -0.618 0.598 102 H ASP 109 H ASP 109 3.643 -1.687 1.713 103 HA ASP 109 HA ASP 109 3.311 0.435 3.423 104 HB2 ASP 109 2HB ASP 109 1.636 -1.391 2.260 105 HB3 ASP 109 3HB ASP 109 1.469 -1.792 3.968 106 HA PRO 110 HA PRO 110 5.167 -0.959 7.200 107 HB2 PRO 110 2HB PRO 110 4.331 1.110 8.747 108 HB3 PRO 110 3HB PRO 110 5.655 1.253 7.585 109 HG2 PRO 110 2HG PRO 110 2.789 2.071 7.301 110 HG3 PRO 110 3HG PRO 110 4.255 2.942 6.814 111 HD2 PRO 110 2HD PRO 110 2.736 1.551 5.057 112 HD3 PRO 110 3HD PRO 110 4.495 1.713 4.880 113 H ALA 111 H ALA 111 1.843 0.331 7.322 114 HA ALA 111 HA ALA 111 1.135 -1.096 9.677 115 HB1 ALA 111 1HB ALA 111 -1.216 -0.471 8.988 116 HB2 ALA 111 2HB ALA 111 -0.091 0.869 9.209 117 HB3 ALA 111 3HB ALA 111 -0.498 0.318 7.584 118 H ALA 112 H ALA 112 0.997 -1.811 6.260 119 HA ALA 112 HA ALA 112 -0.567 -4.231 6.724 120 HB1 ALA 112 1HB ALA 112 -0.749 -2.533 4.710 121 HB2 ALA 112 2HB ALA 112 0.521 -3.559 4.041 122 HB3 ALA 112 3HB ALA 112 -1.034 -4.260 4.490 123 H SER 113 H SER 113 0.242 -6.189 5.370 124 HA SER 113 HA SER 113 3.053 -6.532 5.069 125 HB2 SER 113 2HB SER 113 3.112 -8.398 6.878 126 HB3 SER 113 3HB SER 113 3.278 -6.719 7.390 127 HG SER 113 HG SER 113 1.621 -8.323 8.399 128 H CYS 114 H CYS 114 3.121 -7.794 3.343 129 HA CYS 114 HA CYS 114 1.007 -9.357 2.396 130 HB2 CYS 114 2HB CYS 114 3.966 -9.497 1.788 131 HB3 CYS 114 3HB CYS 114 2.736 -10.379 0.889 132 H TYR 115 H TYR 115 1.833 -11.820 1.726 133 HA TYR 115 HA TYR 115 2.523 -13.169 4.244 134 HB2 TYR 115 2HB TYR 115 0.106 -13.282 4.054 135 HB3 TYR 115 3HB TYR 115 0.231 -13.881 2.404 136 HD1 TYR 115 HD1 TYR 115 1.138 -16.171 1.994 137 HD2 TYR 115 HD2 TYR 115 0.286 -14.750 5.913 138 HE1 TYR 115 HE1 TYR 115 1.157 -18.484 2.831 139 HE2 TYR 115 HE2 TYR 115 0.304 -17.059 6.761 140 HH TYR 115 HH TYR 115 1.572 -19.623 5.084 141 H CYS 116 H CYS 116 4.285 -14.337 3.921 142 HA CYS 116 HA CYS 116 5.220 -15.037 1.320 143 HB2 CYS 116 2HB CYS 116 6.196 -16.045 4.000 144 HB3 CYS 116 3HB CYS 116 7.076 -16.095 2.476 145 H ARG 117 H ARG 117 4.611 -16.707 0.130 146 HA ARG 117 HA ARG 117 3.333 -18.997 1.456 147 HB2 ARG 117 2HB ARG 117 2.969 -19.247 -1.306 148 HB3 ARG 117 3HB ARG 117 1.775 -18.733 -0.121 149 HG2 ARG 117 2HG ARG 117 1.721 -17.037 -1.689 150 HG3 ARG 117 3HG ARG 117 2.789 -16.386 -0.444 151 HD2 ARG 117 2HD ARG 117 4.052 -15.932 -2.285 152 HD3 ARG 117 3HD ARG 117 4.634 -17.559 -1.937 153 HE ARG 117 HE ARG 117 3.772 -18.214 -3.938 154 HH11 ARG 117 1HH1 ARG 117 2.098 -15.340 -2.909 155 HH12 ARG 117 2HH1 ARG 117 1.156 -15.213 -4.357 156 HH21 ARG 117 1HH2 ARG 117 2.537 -18.057 -5.849 157 HH22 ARG 117 2HH2 ARG 117 1.406 -16.760 -6.029 158 H PHE 118 H PHE 118 5.952 -18.053 -0.648 159 HA PHE 118 HA PHE 118 7.937 -19.180 -1.003 160 HB2 PHE 118 2HB PHE 118 7.056 -20.646 1.027 161 HB3 PHE 118 3HB PHE 118 6.782 -21.827 -0.251 162 HD1 PHE 118 HD2 PHE 118 9.463 -19.466 0.837 163 HD2 PHE 118 HD1 PHE 118 8.460 -23.333 -0.631 164 HE1 PHE 118 HE2 PHE 118 11.834 -20.114 0.934 165 HE2 PHE 118 HE1 PHE 118 10.830 -23.988 -0.535 166 HZ PHE 118 HZ PHE 118 12.520 -22.377 0.247 167 H PHE 119 H PHE 119 4.860 -20.605 -1.903 168 HA PHE 119 HA PHE 119 5.488 -22.321 -3.914 169 HB2 PHE 119 2HB PHE 119 3.176 -21.295 -3.050 170 HB3 PHE 119 3HB PHE 119 3.336 -20.363 -4.535 171 HD1 PHE 119 HD2 PHE 119 3.891 -23.912 -3.510 172 HD2 PHE 119 HD1 PHE 119 2.151 -21.205 -6.296 173 HE1 PHE 119 HE2 PHE 119 2.999 -25.812 -4.794 174 HE2 PHE 119 HE1 PHE 119 1.256 -23.101 -7.584 175 HZ PHE 119 HZ PHE 119 1.681 -25.408 -6.834 176 H ARG 120 H ARG 120 5.552 -18.803 -4.052 177 HA ARG 120 HA ARG 120 6.732 -18.986 -6.746 178 HB2 ARG 120 2HB ARG 120 5.720 -17.001 -7.359 179 HB3 ARG 120 3HB ARG 120 4.495 -17.704 -6.312 180 HG2 ARG 120 2HG ARG 120 4.506 -15.679 -5.355 181 HG3 ARG 120 3HG ARG 120 5.931 -16.291 -4.513 182 HD2 ARG 120 2HD ARG 120 7.232 -14.779 -5.497 183 HD3 ARG 120 3HD ARG 120 6.662 -15.261 -7.094 184 HE ARG 120 HE ARG 120 5.898 -12.942 -5.650 185 HH11 ARG 120 1HH1 ARG 120 4.668 -15.377 -7.813 186 HH12 ARG 120 2HH1 ARG 120 3.436 -14.354 -8.473 187 HH21 ARG 120 1HH2 ARG 120 4.280 -11.585 -6.512 188 HH22 ARG 120 2HH2 ARG 120 3.216 -12.197 -7.733 189 H SER 121 H SER 121 7.448 -18.453 -3.558 190 HA SER 121 HA SER 121 9.411 -17.841 -2.551 191 HB2 SER 121 2HB SER 121 10.526 -16.710 -5.088 192 HB3 SER 121 3HB SER 121 11.352 -17.564 -3.786 193 HG SER 121 HG SER 121 10.219 -18.545 -6.051 194 H ALA 122 H ALA 122 7.398 -16.236 -2.139 195 HA ALA 122 HA ALA 122 8.536 -13.732 -1.599 196 HB1 ALA 122 1HB ALA 122 7.629 -12.273 -3.167 197 HB2 ALA 122 2HB ALA 122 8.166 -13.639 -4.146 198 HB3 ALA 122 3HB ALA 122 6.459 -13.462 -3.741 199 H CYS 123 H CYS 123 6.611 -12.060 -1.155 200 HA CYS 123 HA CYS 123 4.489 -13.571 0.224 201 HB2 CYS 123 2HB CYS 123 5.524 -10.920 1.199 202 HB3 CYS 123 3HB CYS 123 4.612 -12.138 2.085 203 H TYR 124 H TYR 124 2.598 -13.224 -0.721 204 HA TYR 124 HA TYR 124 2.132 -10.811 -2.262 205 HB2 TYR 124 2HB TYR 124 0.147 -11.894 -3.062 206 HB3 TYR 124 3HB TYR 124 1.442 -13.086 -3.067 207 HD1 TYR 124 HD2 TYR 124 1.547 -14.752 -1.152 208 HD2 TYR 124 HD1 TYR 124 -1.841 -12.280 -1.869 209 HE1 TYR 124 HE2 TYR 124 0.163 -16.268 0.201 210 HE2 TYR 124 HE1 TYR 124 -3.235 -13.789 -0.516 211 HH TYR 124 HH TYR 124 -2.567 -16.772 0.189 212 H CYS 125 H CYS 125 0.517 -9.302 -1.867 213 HA CYS 125 HA CYS 125 -0.014 -8.740 0.863 214 HB2 CYS 125 2HB CYS 125 -0.572 -7.479 -1.742 215 HB3 CYS 125 3HB CYS 125 -1.747 -7.121 -0.481 216 H ARG 126 H ARG 126 -1.065 -10.720 1.516 217 HA ARG 126 HA ARG 126 -3.393 -11.785 0.491 218 HB2 ARG 126 2HB ARG 126 -3.845 -12.457 2.938 219 HB3 ARG 126 3HB ARG 126 -2.369 -13.035 2.179 220 HG2 ARG 126 2HG ARG 126 -1.020 -11.657 3.434 221 HG3 ARG 126 3HG ARG 126 -2.315 -10.500 3.746 222 HD2 ARG 126 2HD ARG 126 -1.651 -11.868 5.726 223 HD3 ARG 126 3HD ARG 126 -3.359 -11.978 5.302 224 HE ARG 126 HE ARG 126 -1.715 -14.049 4.156 225 HH11 ARG 126 1HH1 ARG 126 -3.628 -13.070 6.894 226 HH12 ARG 126 2HH1 ARG 126 -3.933 -14.691 7.426 227 HH21 ARG 126 1HH2 ARG 126 -2.109 -16.187 4.845 228 HH22 ARG 126 2HH2 ARG 126 -3.067 -16.463 6.260 Start of MODEL 10 1 H1 CYS 93 H CYS 93 1.710 -0.041 0.860 2 HA CYS 93 HA CYS 93 2.367 1.032 -1.418 3 HB2 CYS 93 2HB CYS 93 3.624 -0.806 -0.011 4 HB3 CYS 93 3HB CYS 93 3.069 -1.875 -1.296 5 H VAL 94 H VAL 94 0.810 -2.177 -1.442 6 HA VAL 94 HA VAL 94 -0.059 -1.628 -4.205 7 HB VAL 94 HB VAL 94 1.456 -3.725 -3.448 8 HG11 VAL 94 1HG1 VAL 94 0.236 -5.670 -3.024 9 HG12 VAL 94 2HG1 VAL 94 -0.534 -4.457 -1.999 10 HG13 VAL 94 3HG1 VAL 94 -1.288 -4.934 -3.521 11 HG21 VAL 94 3HG2 VAL 94 -0.499 -3.290 -5.638 12 HG22 VAL 94 1HG2 VAL 94 1.251 -3.498 -5.705 13 HG23 VAL 94 2HG2 VAL 94 0.204 -4.899 -5.476 14 H ALA 95 H ALA 95 -2.106 -2.874 -4.791 15 HA ALA 95 HA ALA 95 -4.208 -2.001 -3.112 16 HB1 ALA 95 1HB ALA 95 -4.039 -3.613 -5.614 17 HB2 ALA 95 2HB ALA 95 -5.558 -3.571 -4.718 18 HB3 ALA 95 3HB ALA 95 -4.846 -2.073 -5.316 19 H THR 96 H THR 96 -3.959 -5.345 -4.247 20 HA THR 96 HA THR 96 -3.565 -6.597 -1.783 21 HB THR 96 HB THR 96 -6.207 -7.412 -1.949 22 HG1 THR 96 HG1 THR 96 -6.789 -5.637 -3.211 23 HG21 THR 96 3HG2 THR 96 -4.537 -6.648 -0.008 24 HG22 THR 96 1HG2 THR 96 -6.276 -6.795 0.242 25 HG23 THR 96 2HG2 THR 96 -5.560 -5.213 -0.067 26 H ARG 97 H ARG 97 -2.856 -8.548 -2.321 27 HA ARG 97 HA ARG 97 -2.387 -10.395 -3.578 28 HB2 ARG 97 2HB ARG 97 -4.715 -10.820 -2.592 29 HB3 ARG 97 3HB ARG 97 -5.333 -10.450 -4.196 30 HG2 ARG 97 2HG ARG 97 -3.382 -12.288 -4.737 31 HG3 ARG 97 3HG ARG 97 -4.028 -12.857 -3.196 32 HD2 ARG 97 2HD ARG 97 -5.208 -13.857 -5.091 33 HD3 ARG 97 3HD ARG 97 -6.279 -12.848 -4.121 34 HE ARG 97 HE ARG 97 -5.274 -11.258 -6.166 35 HH11 ARG 97 1HH1 ARG 97 -7.274 -14.085 -5.812 36 HH12 ARG 97 2HH1 ARG 97 -8.196 -13.773 -7.245 37 HH21 ARG 97 1HH2 ARG 97 -6.480 -10.836 -8.056 38 HH22 ARG 97 2HH2 ARG 97 -7.743 -11.925 -8.521 39 H ASN 98 H ASN 98 -2.049 -7.976 -4.983 40 HA ASN 98 HA ASN 98 -2.832 -8.773 -7.711 41 HB2 ASN 98 2HB ASN 98 -3.032 -6.225 -6.328 42 HB3 ASN 98 3HB ASN 98 -2.111 -6.081 -7.822 43 HD21 ASN 98 1HD2 ASN 98 -5.190 -6.483 -6.413 44 HD22 ASN 98 2HD2 ASN 98 -6.105 -6.556 -7.876 45 H SER 99 H SER 99 -0.405 -6.622 -6.224 46 HA SER 99 HA SER 99 1.801 -8.182 -7.133 47 HB2 SER 99 2HB SER 99 0.837 -6.900 -9.213 48 HB3 SER 99 3HB SER 99 1.667 -5.517 -8.498 49 HG SER 99 HG SER 99 2.694 -7.718 -9.772 50 H CYS 100 H CYS 100 1.937 -7.788 -4.765 51 HA CYS 100 HA CYS 100 2.230 -5.579 -3.327 52 HB2 CYS 100 2HB CYS 100 3.657 -8.148 -3.334 53 HB3 CYS 100 3HB CYS 100 4.532 -6.844 -2.538 54 H LYS 101 H LYS 101 4.772 -6.762 -5.513 55 HA LYS 101 HA LYS 101 5.774 -4.013 -5.720 56 HB2 LYS 101 2HB LYS 101 8.030 -4.624 -5.382 57 HB3 LYS 101 3HB LYS 101 7.140 -5.399 -4.079 58 HG2 LYS 101 2HG LYS 101 8.223 -7.253 -4.658 59 HG3 LYS 101 3HG LYS 101 7.128 -7.317 -6.041 60 HD2 LYS 101 2HD LYS 101 9.400 -7.547 -6.817 61 HD3 LYS 101 3HD LYS 101 8.765 -5.985 -7.341 62 HE2 LYS 101 2HE LYS 101 10.428 -4.937 -6.310 63 HE3 LYS 101 3HE LYS 101 9.970 -5.675 -4.775 64 HZ1 LYS 101 3HZ LYS 101 11.273 -7.659 -5.490 65 HZ2 LYS 101 1HZ LYS 101 12.205 -6.272 -5.222 66 HZ3 LYS 101 2HZ LYS 101 11.845 -6.757 -6.802 67 HA PRO 102 HA PRO 102 5.841 -4.825 -10.038 68 HB2 PRO 102 2HB PRO 102 7.773 -3.087 -10.825 69 HB3 PRO 102 3HB PRO 102 6.161 -2.567 -10.320 70 HG2 PRO 102 2HG PRO 102 8.716 -2.602 -8.760 71 HG3 PRO 102 3HG PRO 102 7.466 -1.346 -8.832 72 HD2 PRO 102 2HD PRO 102 7.645 -3.107 -6.783 73 HD3 PRO 102 3HD PRO 102 6.094 -2.448 -7.344 74 H ALA 103 H ALA 103 6.873 -6.995 -9.207 75 HA ALA 103 HA ALA 103 8.702 -7.908 -10.994 76 HB1 ALA 103 1HB ALA 103 10.592 -6.821 -10.471 77 HB2 ALA 103 2HB ALA 103 10.015 -6.385 -8.863 78 HB3 ALA 103 3HB ALA 103 10.699 -7.985 -9.150 79 H ALA 104 H ALA 104 7.447 -8.030 -7.767 80 HA ALA 104 HA ALA 104 6.988 -10.830 -7.916 81 HB1 ALA 104 1HB ALA 104 8.491 -11.700 -6.362 82 HB2 ALA 104 2HB ALA 104 9.484 -10.622 -7.344 83 HB3 ALA 104 3HB ALA 104 8.931 -10.105 -5.751 84 H ALA 105 H ALA 105 7.202 -11.085 -4.942 85 HA ALA 105 HA ALA 105 4.865 -9.429 -4.239 86 HB1 ALA 105 1HB ALA 105 4.698 -12.040 -4.474 87 HB2 ALA 105 2HB ALA 105 5.391 -12.012 -2.852 88 HB3 ALA 105 3HB ALA 105 3.863 -11.192 -3.172 89 H ALA 106 H ALA 106 6.020 -7.762 -3.280 90 HA ALA 106 HA ALA 106 6.982 -8.336 -0.603 91 HB1 ALA 106 1HB ALA 106 9.130 -8.376 -1.209 92 HB2 ALA 106 2HB ALA 106 8.780 -7.733 -2.814 93 HB3 ALA 106 3HB ALA 106 8.968 -6.636 -1.446 94 H CYS 107 H CYS 107 5.005 -7.148 -0.185 95 HA CYS 107 HA CYS 107 4.432 -4.573 -1.035 96 HB2 CYS 107 2HB CYS 107 3.843 -5.843 1.647 97 HB3 CYS 107 3HB CYS 107 3.087 -4.373 1.043 98 H CYS 108 H CYS 108 4.450 -2.584 0.384 99 HA CYS 108 HA CYS 108 7.009 -2.368 1.829 100 HB2 CYS 108 2HB CYS 108 6.070 0.108 0.575 101 HB3 CYS 108 3HB CYS 108 7.678 -0.609 0.587 102 H ASP 109 H ASP 109 3.641 -1.682 1.703 103 HA ASP 109 HA ASP 109 3.311 0.437 3.422 104 HB2 ASP 109 2HB ASP 109 1.637 -1.390 2.246 105 HB3 ASP 109 3HB ASP 109 1.454 -1.774 3.956 106 HA PRO 110 HA PRO 110 5.150 -0.992 7.194 107 HB2 PRO 110 2HB PRO 110 4.327 1.075 8.750 108 HB3 PRO 110 3HB PRO 110 5.656 1.214 7.592 109 HG2 PRO 110 2HG PRO 110 2.797 2.057 7.306 110 HG3 PRO 110 3HG PRO 110 4.271 2.919 6.827 111 HD2 PRO 110 2HD PRO 110 2.745 1.549 5.059 112 HD3 PRO 110 3HD PRO 110 4.506 1.697 4.886 113 H ALA 111 H ALA 111 1.838 0.328 7.319 114 HA ALA 111 HA ALA 111 1.111 -1.102 9.664 115 HB1 ALA 111 1HB ALA 111 -0.589 0.225 7.558 116 HB2 ALA 111 2HB ALA 111 -1.198 -0.415 9.085 117 HB3 ALA 111 3HB ALA 111 -0.051 0.924 9.086 118 H ALA 112 H ALA 112 1.022 -1.828 6.255 119 HA ALA 112 HA ALA 112 -0.567 -4.238 6.709 120 HB1 ALA 112 1HB ALA 112 -0.745 -2.533 4.699 121 HB2 ALA 112 2HB ALA 112 0.518 -3.564 4.027 122 HB3 ALA 112 3HB ALA 112 -1.039 -4.258 4.477 123 H SER 113 H SER 113 0.236 -6.197 5.361 124 HA SER 113 HA SER 113 3.047 -6.542 5.052 125 HB2 SER 113 2HB SER 113 1.767 -7.351 7.609 126 HB3 SER 113 3HB SER 113 2.898 -8.497 6.889 127 HG SER 113 HG SER 113 4.506 -7.188 7.312 128 H CYS 114 H CYS 114 3.119 -7.807 3.329 129 HA CYS 114 HA CYS 114 1.001 -9.362 2.376 130 HB2 CYS 114 2HB CYS 114 3.960 -9.511 1.774 131 HB3 CYS 114 3HB CYS 114 2.729 -10.388 0.871 132 H TYR 115 H TYR 115 1.819 -11.827 1.706 133 HA TYR 115 HA TYR 115 2.497 -13.179 4.226 134 HB2 TYR 115 2HB TYR 115 0.081 -13.289 4.024 135 HB3 TYR 115 3HB TYR 115 0.212 -13.884 2.373 136 HD1 TYR 115 HD2 TYR 115 1.115 -16.175 1.961 137 HD2 TYR 115 HD1 TYR 115 0.254 -14.762 5.881 138 HE1 TYR 115 HE2 TYR 115 1.125 -18.490 2.792 139 HE2 TYR 115 HE1 TYR 115 0.263 -17.073 6.723 140 HH TYR 115 HH TYR 115 1.599 -19.555 5.265 141 H CYS 116 H CYS 116 4.259 -14.349 3.911 142 HA CYS 116 HA CYS 116 5.207 -15.048 1.314 143 HB2 CYS 116 2HB CYS 116 6.167 -16.059 3.999 144 HB3 CYS 116 3HB CYS 116 7.055 -16.111 2.479 145 H ARG 117 H ARG 117 4.593 -16.713 0.119 146 HA ARG 117 HA ARG 117 3.308 -19.004 1.438 147 HB2 ARG 117 2HB ARG 117 2.954 -19.250 -1.326 148 HB3 ARG 117 3HB ARG 117 1.757 -18.734 -0.145 149 HG2 ARG 117 2HG ARG 117 1.713 -17.037 -1.713 150 HG3 ARG 117 3HG ARG 117 2.779 -16.390 -0.464 151 HD2 ARG 117 2HD ARG 117 4.053 -15.938 -2.297 152 HD3 ARG 117 3HD ARG 117 4.625 -17.570 -1.953 153 HE ARG 117 HE ARG 117 3.760 -18.217 -3.956 154 HH11 ARG 117 1HH1 ARG 117 2.115 -15.324 -2.932 155 HH12 ARG 117 2HH1 ARG 117 1.182 -15.184 -4.385 156 HH21 ARG 117 1HH2 ARG 117 2.537 -18.043 -5.874 157 HH22 ARG 117 2HH2 ARG 117 1.423 -16.731 -6.057 158 H PHE 118 H PHE 118 5.937 -18.061 -0.656 159 HA PHE 118 HA PHE 118 7.922 -19.191 -1.005 160 HB2 PHE 118 2HB PHE 118 7.014 -20.665 1.016 161 HB3 PHE 118 3HB PHE 118 6.772 -21.842 -0.271 162 HD1 PHE 118 HD2 PHE 118 9.440 -19.401 0.667 163 HD2 PHE 118 HD1 PHE 118 8.443 -23.392 -0.426 164 HE1 PHE 118 HE2 PHE 118 11.816 -20.027 0.800 165 HE2 PHE 118 HE1 PHE 118 10.817 -24.025 -0.293 166 HZ PHE 118 HZ PHE 118 12.507 -22.342 0.320 167 H PHE 119 H PHE 119 4.845 -20.603 -1.922 168 HA PHE 119 HA PHE 119 5.478 -22.320 -3.932 169 HB2 PHE 119 2HB PHE 119 3.164 -21.284 -3.077 170 HB3 PHE 119 3HB PHE 119 3.334 -20.357 -4.564 171 HD1 PHE 119 HD2 PHE 119 3.016 -23.746 -3.163 172 HD2 PHE 119 HD1 PHE 119 3.010 -21.360 -6.688 173 HE1 PHE 119 HE2 PHE 119 2.123 -25.647 -4.444 174 HE2 PHE 119 HE1 PHE 119 2.116 -23.257 -7.975 175 HZ PHE 119 HZ PHE 119 1.672 -25.405 -6.853 176 H ARG 120 H ARG 120 5.541 -18.800 -4.069 177 HA ARG 120 HA ARG 120 6.734 -18.982 -6.758 178 HB2 ARG 120 2HB ARG 120 5.732 -16.991 -7.367 179 HB3 ARG 120 3HB ARG 120 4.502 -17.690 -6.324 180 HG2 ARG 120 2HG ARG 120 4.520 -15.668 -5.361 181 HG3 ARG 120 3HG ARG 120 5.942 -16.289 -4.519 182 HD2 ARG 120 2HD ARG 120 7.250 -14.780 -5.495 183 HD3 ARG 120 3HD ARG 120 6.683 -15.257 -7.095 184 HE ARG 120 HE ARG 120 5.924 -12.937 -5.651 185 HH11 ARG 120 1HH1 ARG 120 4.692 -15.364 -7.821 186 HH12 ARG 120 2HH1 ARG 120 3.465 -14.336 -8.484 187 HH21 ARG 120 1HH2 ARG 120 4.313 -11.573 -6.516 188 HH22 ARG 120 2HH2 ARG 120 3.252 -12.179 -7.741 189 H SER 121 H SER 121 7.441 -18.455 -3.564 190 HA SER 121 HA SER 121 9.407 -17.858 -2.553 191 HB2 SER 121 2HB SER 121 10.343 -18.464 -4.946 192 HB3 SER 121 3HB SER 121 10.534 -16.715 -5.079 193 HG SER 121 HG SER 121 12.001 -18.511 -3.667 194 H ALA 122 H ALA 122 7.397 -16.247 -2.142 195 HA ALA 122 HA ALA 122 8.543 -13.749 -1.587 196 HB1 ALA 122 1HB ALA 122 6.479 -13.472 -3.741 197 HB2 ALA 122 2HB ALA 122 7.637 -12.280 -3.150 198 HB3 ALA 122 3HB ALA 122 8.191 -13.637 -4.131 199 H CYS 123 H CYS 123 6.615 -12.070 -1.154 200 HA CYS 123 HA CYS 123 4.487 -13.580 0.219 201 HB2 CYS 123 2HB CYS 123 5.524 -10.929 1.194 202 HB3 CYS 123 3HB CYS 123 4.602 -12.141 2.077 203 H TYR 124 H TYR 124 2.601 -13.234 -0.735 204 HA TYR 124 HA TYR 124 2.141 -10.821 -2.279 205 HB2 TYR 124 2HB TYR 124 0.162 -11.906 -3.090 206 HB3 TYR 124 3HB TYR 124 1.455 -13.099 -3.085 207 HD1 TYR 124 HD1 TYR 124 1.547 -14.762 -1.167 208 HD2 TYR 124 HD2 TYR 124 -1.835 -12.289 -1.911 209 HE1 TYR 124 HE1 TYR 124 0.153 -16.274 0.181 210 HE2 TYR 124 HE2 TYR 124 -3.238 -13.794 -0.563 211 HH TYR 124 HH TYR 124 -3.324 -15.897 0.359 212 H CYS 125 H CYS 125 0.528 -9.310 -1.890 213 HA CYS 125 HA CYS 125 -0.017 -8.751 0.838 214 HB2 CYS 125 2HB CYS 125 -0.561 -7.487 -1.770 215 HB3 CYS 125 3HB CYS 125 -1.742 -7.129 -0.514 216 H ARG 126 H ARG 126 -1.075 -10.723 1.491 217 HA ARG 126 HA ARG 126 -3.395 -11.794 0.454 218 HB2 ARG 126 2HB ARG 126 -3.867 -12.450 2.902 219 HB3 ARG 126 3HB ARG 126 -2.386 -13.035 2.157 220 HG2 ARG 126 2HG ARG 126 -1.044 -11.642 3.408 221 HG3 ARG 126 3HG ARG 126 -2.348 -10.493 3.716 222 HD2 ARG 126 2HD ARG 126 -1.674 -11.863 5.696 223 HD3 ARG 126 3HD ARG 126 -3.383 -11.972 5.274 224 HE ARG 126 HE ARG 126 -1.742 -14.041 4.122 225 HH11 ARG 126 1HH1 ARG 126 -3.649 -13.066 6.867 226 HH12 ARG 126 2HH1 ARG 126 -3.953 -14.687 7.397 227 HH21 ARG 126 1HH2 ARG 126 -2.136 -16.180 4.810 228 HH22 ARG 126 2HH2 ARG 126 -3.091 -16.458 6.226 Start of MODEL 11 1 H1 CYS 93 H CYS 93 1.893 0.098 0.845 2 HA CYS 93 HA CYS 93 2.464 1.078 -1.472 3 HB2 CYS 93 2HB CYS 93 3.742 -0.778 -0.087 4 HB3 CYS 93 3HB CYS 93 3.150 -1.828 -1.370 5 H VAL 94 H VAL 94 0.911 -2.133 -1.407 6 HA VAL 94 HA VAL 94 -0.111 -1.585 -4.118 7 HB VAL 94 HB VAL 94 1.485 -3.660 -3.459 8 HG11 VAL 94 1HG1 VAL 94 0.321 -5.632 -3.003 9 HG12 VAL 94 2HG1 VAL 94 -0.420 -4.446 -1.926 10 HG13 VAL 94 3HG1 VAL 94 -1.238 -4.918 -3.417 11 HG21 VAL 94 3HG2 VAL 94 1.167 -3.410 -5.702 12 HG22 VAL 94 1HG2 VAL 94 0.156 -4.831 -5.439 13 HG23 VAL 94 2HG2 VAL 94 -0.581 -3.233 -5.548 14 H ALA 95 H ALA 95 -2.168 -2.828 -4.607 15 HA ALA 95 HA ALA 95 -4.179 -2.037 -2.782 16 HB1 ALA 95 1HB ALA 95 -5.128 -2.073 -4.820 17 HB2 ALA 95 2HB ALA 95 -4.074 -3.362 -5.403 18 HB3 ALA 95 3HB ALA 95 -5.483 -3.753 -4.417 19 H THR 96 H THR 96 -3.950 -5.339 -4.036 20 HA THR 96 HA THR 96 -3.391 -6.667 -1.649 21 HB THR 96 HB THR 96 -6.033 -7.501 -1.663 22 HG1 THR 96 HG1 THR 96 -6.434 -5.499 -2.900 23 HG21 THR 96 3HG2 THR 96 -4.224 -6.751 0.179 24 HG22 THR 96 1HG2 THR 96 -5.931 -6.995 0.547 25 HG23 THR 96 2HG2 THR 96 -5.316 -5.368 0.256 26 H ARG 97 H ARG 97 -2.740 -8.616 -2.269 27 HA ARG 97 HA ARG 97 -2.358 -10.436 -3.590 28 HB2 ARG 97 2HB ARG 97 -4.711 -10.793 -2.563 29 HB3 ARG 97 3HB ARG 97 -5.303 -10.450 -4.183 30 HG2 ARG 97 2HG ARG 97 -3.354 -12.317 -4.649 31 HG3 ARG 97 3HG ARG 97 -4.048 -12.850 -3.117 32 HD2 ARG 97 2HD ARG 97 -5.178 -13.858 -5.055 33 HD3 ARG 97 3HD ARG 97 -6.265 -12.862 -4.089 34 HE ARG 97 HE ARG 97 -5.217 -11.268 -6.125 35 HH11 ARG 97 1HH1 ARG 97 -7.297 -14.034 -5.752 36 HH12 ARG 97 2HH1 ARG 97 -8.221 -13.695 -7.177 37 HH21 ARG 97 1HH2 ARG 97 -6.426 -10.811 -8.004 38 HH22 ARG 97 2HH2 ARG 97 -7.725 -11.862 -8.458 39 H ASN 98 H ASN 98 -2.030 -7.961 -4.916 40 HA ASN 98 HA ASN 98 -2.879 -8.664 -7.650 41 HB2 ASN 98 2HB ASN 98 -3.069 -6.169 -6.179 42 HB3 ASN 98 3HB ASN 98 -2.162 -5.964 -7.676 43 HD21 ASN 98 1HD2 ASN 98 -4.767 -4.924 -6.966 44 HD22 ASN 98 2HD2 ASN 98 -5.874 -5.529 -8.146 45 H SER 99 H SER 99 -0.422 -6.569 -6.131 46 HA SER 99 HA SER 99 1.769 -8.086 -7.130 47 HB2 SER 99 2HB SER 99 1.252 -7.178 -9.273 48 HB3 SER 99 3HB SER 99 0.984 -5.568 -8.604 49 HG SER 99 HG SER 99 3.238 -6.588 -9.546 50 H CYS 100 H CYS 100 1.962 -7.742 -4.762 51 HA CYS 100 HA CYS 100 2.276 -5.538 -3.302 52 HB2 CYS 100 2HB CYS 100 3.642 -8.133 -3.332 53 HB3 CYS 100 3HB CYS 100 4.574 -6.855 -2.559 54 H LYS 101 H LYS 101 4.741 -6.721 -5.566 55 HA LYS 101 HA LYS 101 5.789 -3.993 -5.754 56 HB2 LYS 101 2HB LYS 101 8.042 -4.625 -5.431 57 HB3 LYS 101 3HB LYS 101 7.152 -5.388 -4.119 58 HG2 LYS 101 2HG LYS 101 8.227 -7.247 -4.701 59 HG3 LYS 101 3HG LYS 101 7.105 -7.317 -6.062 60 HD2 LYS 101 2HD LYS 101 9.359 -7.568 -6.879 61 HD3 LYS 101 3HD LYS 101 8.724 -6.007 -7.405 62 HE2 LYS 101 2HE LYS 101 10.421 -4.966 -6.423 63 HE3 LYS 101 3HE LYS 101 9.976 -5.672 -4.869 64 HZ1 LYS 101 3HZ LYS 101 12.148 -6.328 -6.593 65 HZ2 LYS 101 1HZ LYS 101 11.220 -7.696 -6.231 66 HZ3 LYS 101 2HZ LYS 101 11.885 -6.771 -4.982 67 HA PRO 102 HA PRO 102 5.821 -4.811 -10.072 68 HB2 PRO 102 2HB PRO 102 7.759 -3.087 -10.873 69 HB3 PRO 102 3HB PRO 102 6.154 -2.556 -10.359 70 HG2 PRO 102 2HG PRO 102 8.718 -2.604 -8.814 71 HG3 PRO 102 3HG PRO 102 7.475 -1.340 -8.881 72 HD2 PRO 102 2HD PRO 102 7.656 -3.100 -6.830 73 HD3 PRO 102 3HD PRO 102 6.106 -2.432 -7.382 74 H ALA 103 H ALA 103 6.855 -6.983 -9.223 75 HA ALA 103 HA ALA 103 8.674 -7.902 -11.029 76 HB1 ALA 103 1HB ALA 103 9.989 -6.369 -8.923 77 HB2 ALA 103 2HB ALA 103 10.646 -7.994 -9.129 78 HB3 ALA 103 3HB ALA 103 10.592 -6.884 -10.499 79 H ALA 104 H ALA 104 7.404 -8.037 -7.809 80 HA ALA 104 HA ALA 104 6.903 -10.822 -7.975 81 HB1 ALA 104 1HB ALA 104 8.910 -10.143 -5.849 82 HB2 ALA 104 2HB ALA 104 8.400 -11.731 -6.422 83 HB3 ALA 104 3HB ALA 104 9.400 -10.703 -7.448 84 H ALA 105 H ALA 105 7.169 -11.101 -4.999 85 HA ALA 105 HA ALA 105 4.856 -9.432 -4.254 86 HB1 ALA 105 1HB ALA 105 3.877 -11.187 -3.148 87 HB2 ALA 105 2HB ALA 105 4.670 -12.037 -4.475 88 HB3 ALA 105 3HB ALA 105 5.411 -12.014 -2.875 89 H ALA 106 H ALA 106 6.045 -7.762 -3.334 90 HA ALA 106 HA ALA 106 7.052 -8.323 -0.671 91 HB1 ALA 106 1HB ALA 106 9.008 -6.605 -1.637 92 HB2 ALA 106 2HB ALA 106 9.198 -8.318 -1.258 93 HB3 ALA 106 3HB ALA 106 8.816 -7.817 -2.905 94 H CYS 107 H CYS 107 5.091 -7.127 -0.215 95 HA CYS 107 HA CYS 107 4.504 -4.556 -1.070 96 HB2 CYS 107 2HB CYS 107 3.971 -5.816 1.629 97 HB3 CYS 107 3HB CYS 107 3.212 -4.339 1.043 98 H CYS 108 H CYS 108 4.578 -2.547 0.293 99 HA CYS 108 HA CYS 108 7.159 -2.332 1.699 100 HB2 CYS 108 2HB CYS 108 6.213 0.136 0.438 101 HB3 CYS 108 3HB CYS 108 7.814 -0.596 0.419 102 H ASP 109 H ASP 109 3.793 -1.633 1.633 103 HA ASP 109 HA ASP 109 3.506 0.510 3.330 104 HB2 ASP 109 2HB ASP 109 1.795 -1.295 2.201 105 HB3 ASP 109 3HB ASP 109 1.660 -1.710 3.908 106 HA PRO 110 HA PRO 110 5.405 -0.869 7.089 107 HB2 PRO 110 2HB PRO 110 4.590 1.204 8.640 108 HB3 PRO 110 3HB PRO 110 5.898 1.344 7.460 109 HG2 PRO 110 2HG PRO 110 3.028 2.160 7.213 110 HG3 PRO 110 3HG PRO 110 4.486 3.030 6.703 111 HD2 PRO 110 2HD PRO 110 2.944 1.632 4.971 112 HD3 PRO 110 3HD PRO 110 4.700 1.794 4.769 113 H ALA 111 H ALA 111 2.082 0.417 7.250 114 HA ALA 111 HA ALA 111 1.408 -1.002 9.620 115 HB1 ALA 111 1HB ALA 111 0.266 1.060 8.925 116 HB2 ALA 111 2HB ALA 111 -0.431 0.198 7.552 117 HB3 ALA 111 3HB ALA 111 -0.864 -0.266 9.198 118 H ALA 112 H ALA 112 1.185 -1.711 6.200 119 HA ALA 112 HA ALA 112 -0.373 -4.125 6.685 120 HB1 ALA 112 1HB ALA 112 -0.547 -2.441 4.663 121 HB2 ALA 112 2HB ALA 112 0.722 -3.471 3.999 122 HB3 ALA 112 3HB ALA 112 -0.835 -4.168 4.448 123 H SER 113 H SER 113 0.414 -6.105 5.363 124 HA SER 113 HA SER 113 3.220 -6.477 5.049 125 HB2 SER 113 2HB SER 113 3.363 -8.266 6.872 126 HB3 SER 113 3HB SER 113 3.371 -6.587 7.412 127 HG SER 113 HG SER 113 1.612 -8.551 7.978 128 H CYS 114 H CYS 114 3.246 -7.742 3.323 129 HA CYS 114 HA CYS 114 1.116 -9.311 2.425 130 HB2 CYS 114 2HB CYS 114 4.063 -9.469 1.771 131 HB3 CYS 114 3HB CYS 114 2.812 -10.345 0.896 132 H TYR 115 H TYR 115 1.916 -11.781 1.765 133 HA TYR 115 HA TYR 115 2.645 -13.109 4.284 134 HB2 TYR 115 2HB TYR 115 0.225 -13.221 4.125 135 HB3 TYR 115 3HB TYR 115 0.328 -13.835 2.479 136 HD1 TYR 115 HD1 TYR 115 1.168 -16.134 2.070 137 HD2 TYR 115 HD2 TYR 115 0.487 -14.667 6.005 138 HE1 TYR 115 HE1 TYR 115 1.195 -18.439 2.927 139 HE2 TYR 115 HE2 TYR 115 0.514 -16.968 6.873 140 HH TYR 115 HH TYR 115 1.627 -19.600 5.074 141 H CYS 116 H CYS 116 4.402 -14.280 3.947 142 HA CYS 116 HA CYS 116 5.300 -15.005 1.340 143 HB2 CYS 116 2HB CYS 116 6.316 -15.978 4.017 144 HB3 CYS 116 3HB CYS 116 7.173 -16.055 2.481 145 H ARG 117 H ARG 117 4.654 -16.681 0.176 146 HA ARG 117 HA ARG 117 3.406 -18.960 1.547 147 HB2 ARG 117 2HB ARG 117 3.000 -19.236 -1.208 148 HB3 ARG 117 3HB ARG 117 1.824 -18.716 -0.009 149 HG2 ARG 117 2HG ARG 117 1.739 -17.032 -1.588 150 HG3 ARG 117 3HG ARG 117 2.829 -16.369 -0.367 151 HD2 ARG 117 2HD ARG 117 4.060 -15.928 -2.232 152 HD3 ARG 117 3HD ARG 117 4.648 -17.554 -1.884 153 HE ARG 117 HE ARG 117 3.745 -18.225 -3.862 154 HH11 ARG 117 1HH1 ARG 117 2.108 -15.330 -2.833 155 HH12 ARG 117 2HH1 ARG 117 1.145 -15.208 -4.268 156 HH21 ARG 117 1HH2 ARG 117 2.482 -18.076 -5.755 157 HH22 ARG 117 2HH2 ARG 117 1.358 -16.771 -5.929 158 H PHE 118 H PHE 118 5.988 -18.039 -0.615 159 HA PHE 118 HA PHE 118 7.969 -19.170 -0.986 160 HB2 PHE 118 2HB PHE 118 7.121 -20.616 1.070 161 HB3 PHE 118 3HB PHE 118 6.821 -21.807 -0.191 162 HD1 PHE 118 HD1 PHE 118 9.528 -19.439 0.813 163 HD2 PHE 118 HD2 PHE 118 8.487 -23.326 -0.574 164 HE1 PHE 118 HE1 PHE 118 11.899 -20.093 0.875 165 HE2 PHE 118 HE2 PHE 118 10.857 -23.986 -0.514 166 HZ PHE 118 HZ PHE 118 12.566 -22.369 0.212 167 H PHE 119 H PHE 119 4.878 -20.603 -1.825 168 HA PHE 119 HA PHE 119 5.475 -22.337 -3.831 169 HB2 PHE 119 2HB PHE 119 3.176 -21.317 -2.941 170 HB3 PHE 119 3HB PHE 119 3.313 -20.376 -4.423 171 HD1 PHE 119 HD2 PHE 119 3.467 -21.568 -6.614 172 HD2 PHE 119 HD1 PHE 119 2.522 -23.574 -2.981 173 HE1 PHE 119 HE2 PHE 119 2.557 -23.459 -7.899 174 HE2 PHE 119 HE1 PHE 119 1.611 -25.468 -4.260 175 HZ PHE 119 HZ PHE 119 1.627 -25.412 -6.722 176 H ARG 120 H ARG 120 5.521 -18.818 -4.009 177 HA ARG 120 HA ARG 120 6.661 -19.026 -6.718 178 HB2 ARG 120 2HB ARG 120 5.641 -17.046 -7.328 179 HB3 ARG 120 3HB ARG 120 4.437 -17.731 -6.245 180 HG2 ARG 120 2HG ARG 120 4.479 -15.700 -5.305 181 HG3 ARG 120 3HG ARG 120 5.928 -16.304 -4.499 182 HD2 ARG 120 2HD ARG 120 7.190 -14.790 -5.525 183 HD3 ARG 120 3HD ARG 120 6.601 -15.311 -7.103 184 HE ARG 120 HE ARG 120 5.835 -12.970 -5.694 185 HH11 ARG 120 1HH1 ARG 120 4.612 -15.452 -7.806 186 HH12 ARG 120 2HH1 ARG 120 3.367 -14.451 -8.476 187 HH21 ARG 120 1HH2 ARG 120 4.199 -11.642 -6.568 188 HH22 ARG 120 2HH2 ARG 120 3.134 -12.284 -7.772 189 H SER 121 H SER 121 7.440 -18.475 -3.548 190 HA SER 121 HA SER 121 9.423 -17.863 -2.583 191 HB2 SER 121 2HB SER 121 10.306 -18.489 -4.994 192 HB3 SER 121 3HB SER 121 10.503 -16.743 -5.139 193 HG SER 121 HG SER 121 11.664 -16.941 -3.054 194 H ALA 122 H ALA 122 7.420 -16.248 -2.150 195 HA ALA 122 HA ALA 122 8.577 -13.744 -1.644 196 HB1 ALA 122 1HB ALA 122 8.156 -13.678 -4.190 197 HB2 ALA 122 2HB ALA 122 6.462 -13.467 -3.745 198 HB3 ALA 122 3HB ALA 122 7.667 -12.295 -3.211 199 H CYS 123 H CYS 123 6.652 -12.060 -1.197 200 HA CYS 123 HA CYS 123 4.552 -13.555 0.233 201 HB2 CYS 123 2HB CYS 123 5.604 -10.896 1.168 202 HB3 CYS 123 3HB CYS 123 4.707 -12.107 2.079 203 H TYR 124 H TYR 124 2.649 -13.214 -0.689 204 HA TYR 124 HA TYR 124 2.163 -10.816 -2.246 205 HB2 TYR 124 2HB TYR 124 0.169 -11.904 -3.010 206 HB3 TYR 124 3HB TYR 124 1.456 -13.105 -3.009 207 HD1 TYR 124 HD2 TYR 124 1.569 -14.742 -1.072 208 HD2 TYR 124 HD1 TYR 124 -1.809 -12.256 -1.789 209 HE1 TYR 124 HE2 TYR 124 0.188 -16.227 0.320 210 HE2 TYR 124 HE1 TYR 124 -3.199 -13.733 -0.398 211 HH TYR 124 HH TYR 124 -2.161 -15.748 1.750 212 H CYS 125 H CYS 125 0.580 -9.287 -1.833 213 HA CYS 125 HA CYS 125 0.080 -8.711 0.901 214 HB2 CYS 125 2HB CYS 125 -0.456 -7.445 -1.699 215 HB3 CYS 125 3HB CYS 125 -1.656 -7.091 -0.461 216 H ARG 126 H ARG 126 -1.008 -10.606 1.642 217 HA ARG 126 HA ARG 126 -3.366 -11.656 0.614 218 HB2 ARG 126 2HB ARG 126 -3.777 -12.368 3.046 219 HB3 ARG 126 3HB ARG 126 -2.306 -12.936 2.267 220 HG2 ARG 126 2HG ARG 126 -0.954 -11.481 3.487 221 HG3 ARG 126 3HG ARG 126 -2.315 -10.456 3.945 222 HD2 ARG 126 2HD ARG 126 -1.307 -12.077 5.694 223 HD3 ARG 126 3HD ARG 126 -3.059 -11.940 5.556 224 HE ARG 126 HE ARG 126 -1.415 -14.194 4.668 225 HH11 ARG 126 1HH1 ARG 126 -4.549 -12.746 5.117 226 HH12 ARG 126 2HH1 ARG 126 -5.411 -14.234 4.902 227 HH21 ARG 126 1HH2 ARG 126 -2.538 -16.158 4.384 228 HH22 ARG 126 2HH2 ARG 126 -4.266 -16.174 4.486 Start of MODEL 12 1 H1 CYS 93 H CYS 93 1.866 -0.023 0.766 2 HA CYS 93 HA CYS 93 2.517 1.024 -1.560 3 HB2 CYS 93 2HB CYS 93 3.719 -0.837 -0.134 4 HB3 CYS 93 3HB CYS 93 3.074 -1.910 -1.372 5 H VAL 94 H VAL 94 0.894 -2.154 -1.489 6 HA VAL 94 HA VAL 94 -0.146 -1.569 -4.186 7 HB VAL 94 HB VAL 94 1.466 -3.656 -3.566 8 HG11 VAL 94 1HG1 VAL 94 -0.452 -4.485 -2.075 9 HG12 VAL 94 2HG1 VAL 94 -1.258 -4.912 -3.586 10 HG13 VAL 94 3HG1 VAL 94 0.297 -5.639 -3.179 11 HG21 VAL 94 3HG2 VAL 94 0.191 -4.771 -5.596 12 HG22 VAL 94 1HG2 VAL 94 -0.596 -3.194 -5.657 13 HG23 VAL 94 2HG2 VAL 94 1.157 -3.310 -5.805 14 H ALA 95 H ALA 95 -2.197 -2.834 -4.673 15 HA ALA 95 HA ALA 95 -4.194 -2.086 -2.812 16 HB1 ALA 95 1HB ALA 95 -4.192 -3.622 -5.376 17 HB2 ALA 95 2HB ALA 95 -5.648 -3.558 -4.382 18 HB3 ALA 95 3HB ALA 95 -4.937 -2.068 -5.000 19 H THR 96 H THR 96 -3.920 -5.367 -4.122 20 HA THR 96 HA THR 96 -3.328 -6.732 -1.772 21 HB THR 96 HB THR 96 -5.965 -7.581 -1.752 22 HG1 THR 96 HG1 THR 96 -6.828 -5.836 -2.759 23 HG21 THR 96 3HG2 THR 96 -4.121 -6.844 0.067 24 HG22 THR 96 1HG2 THR 96 -5.816 -7.125 0.464 25 HG23 THR 96 2HG2 THR 96 -5.234 -5.482 0.195 26 H ARG 97 H ARG 97 -2.716 -8.694 -2.404 27 HA ARG 97 HA ARG 97 -2.352 -10.495 -3.756 28 HB2 ARG 97 2HB ARG 97 -4.884 -10.630 -2.825 29 HB3 ARG 97 3HB ARG 97 -5.198 -10.641 -4.555 30 HG2 ARG 97 2HG ARG 97 -3.247 -12.520 -3.262 31 HG3 ARG 97 3HG ARG 97 -4.965 -12.889 -3.423 32 HD2 ARG 97 2HD ARG 97 -3.009 -12.330 -5.648 33 HD3 ARG 97 3HD ARG 97 -3.760 -13.878 -5.262 34 HE ARG 97 HE ARG 97 -4.963 -11.655 -6.670 35 HH11 ARG 97 1HH1 ARG 97 -5.473 -14.644 -4.959 36 HH12 ARG 97 2HH1 ARG 97 -7.024 -14.940 -5.673 37 HH21 ARG 97 1HH2 ARG 97 -7.004 -12.033 -7.616 38 HH22 ARG 97 2HH2 ARG 97 -7.893 -13.454 -7.185 39 H ASN 98 H ASN 98 -1.775 -8.177 -5.073 40 HA ASN 98 HA ASN 98 -2.641 -8.800 -7.815 41 HB2 ASN 98 2HB ASN 98 -3.078 -6.366 -6.358 42 HB3 ASN 98 3HB ASN 98 -1.992 -6.045 -7.707 43 HD21 ASN 98 1HD2 ASN 98 -5.176 -6.999 -6.753 44 HD22 ASN 98 2HD2 ASN 98 -5.904 -6.886 -8.315 45 H SER 99 H SER 99 -0.358 -6.487 -6.362 46 HA SER 99 HA SER 99 1.932 -7.959 -7.295 47 HB2 SER 99 2HB SER 99 0.901 -5.589 -8.786 48 HB3 SER 99 3HB SER 99 2.647 -5.756 -8.603 49 HG SER 99 HG SER 99 2.618 -7.314 -10.008 50 H CYS 100 H CYS 100 2.031 -7.713 -4.897 51 HA CYS 100 HA CYS 100 2.257 -5.540 -3.359 52 HB2 CYS 100 2HB CYS 100 3.585 -8.143 -3.386 53 HB3 CYS 100 3HB CYS 100 4.538 -6.899 -2.584 54 H LYS 101 H LYS 101 4.785 -6.642 -5.588 55 HA LYS 101 HA LYS 101 5.846 -3.919 -5.647 56 HB2 LYS 101 2HB LYS 101 8.086 -4.551 -5.238 57 HB3 LYS 101 3HB LYS 101 7.142 -5.342 -3.983 58 HG2 LYS 101 2HG LYS 101 8.249 -7.186 -4.554 59 HG3 LYS 101 3HG LYS 101 7.186 -7.233 -5.962 60 HD2 LYS 101 2HD LYS 101 9.460 -7.459 -6.706 61 HD3 LYS 101 3HD LYS 101 8.862 -5.873 -7.198 62 HE2 LYS 101 2HE LYS 101 11.174 -5.852 -6.267 63 HE3 LYS 101 3HE LYS 101 10.043 -4.801 -5.416 64 HZ1 LYS 101 3HZ LYS 101 11.603 -6.314 -4.065 65 HZ2 LYS 101 1HZ LYS 101 10.517 -7.549 -4.464 66 HZ3 LYS 101 2HZ LYS 101 9.982 -6.198 -3.598 67 HA PRO 102 HA PRO 102 6.088 -4.636 -9.975 68 HB2 PRO 102 2HB PRO 102 8.074 -2.910 -10.645 69 HB3 PRO 102 3HB PRO 102 6.449 -2.378 -10.194 70 HG2 PRO 102 2HG PRO 102 8.938 -2.482 -8.533 71 HG3 PRO 102 3HG PRO 102 7.709 -1.207 -8.628 72 HD2 PRO 102 2HD PRO 102 7.780 -3.014 -6.613 73 HD3 PRO 102 3HD PRO 102 6.263 -2.322 -7.221 74 H ALA 103 H ALA 103 7.059 -6.837 -9.144 75 HA ALA 103 HA ALA 103 8.958 -7.726 -10.879 76 HB1 ALA 103 1HB ALA 103 10.180 -6.247 -8.687 77 HB2 ALA 103 2HB ALA 103 10.824 -7.879 -8.868 78 HB3 ALA 103 3HB ALA 103 10.864 -6.760 -10.231 79 H ALA 104 H ALA 104 7.561 -7.929 -7.709 80 HA ALA 104 HA ALA 104 7.019 -10.699 -7.975 81 HB1 ALA 104 1HB ALA 104 8.503 -11.718 -6.550 82 HB2 ALA 104 2HB ALA 104 9.539 -10.498 -7.292 83 HB3 ALA 104 3HB ALA 104 8.866 -10.224 -5.685 84 H ALA 105 H ALA 105 7.156 -11.094 -5.016 85 HA ALA 105 HA ALA 105 4.840 -9.416 -4.304 86 HB1 ALA 105 1HB ALA 105 4.659 -12.015 -4.577 87 HB2 ALA 105 2HB ALA 105 5.356 -12.024 -2.956 88 HB3 ALA 105 3HB ALA 105 3.831 -11.191 -3.255 89 H ALA 106 H ALA 106 6.063 -7.764 -3.356 90 HA ALA 106 HA ALA 106 6.954 -8.362 -0.655 91 HB1 ALA 106 1HB ALA 106 8.952 -6.645 -1.579 92 HB2 ALA 106 2HB ALA 106 9.122 -8.344 -1.135 93 HB3 ALA 106 3HB ALA 106 8.804 -7.898 -2.812 94 H CYS 107 H CYS 107 4.997 -7.147 -0.246 95 HA CYS 107 HA CYS 107 4.444 -4.573 -1.096 96 HB2 CYS 107 2HB CYS 107 3.867 -5.851 1.584 97 HB3 CYS 107 3HB CYS 107 3.143 -4.347 1.023 98 H CYS 108 H CYS 108 4.484 -2.577 0.322 99 HA CYS 108 HA CYS 108 7.067 -2.367 1.724 100 HB2 CYS 108 2HB CYS 108 6.073 0.092 0.452 101 HB3 CYS 108 3HB CYS 108 7.703 -0.570 0.505 102 H ASP 109 H ASP 109 3.700 -1.617 1.626 103 HA ASP 109 HA ASP 109 3.424 0.482 3.373 104 HB2 ASP 109 2HB ASP 109 1.710 -1.327 2.202 105 HB3 ASP 109 3HB ASP 109 1.521 -1.679 3.917 106 HA PRO 110 HA PRO 110 5.256 -1.012 7.121 107 HB2 PRO 110 2HB PRO 110 4.457 1.040 8.709 108 HB3 PRO 110 3HB PRO 110 5.781 1.184 7.547 109 HG2 PRO 110 2HG PRO 110 2.929 2.053 7.285 110 HG3 PRO 110 3HG PRO 110 4.407 2.910 6.812 111 HD2 PRO 110 2HD PRO 110 2.863 1.577 5.032 112 HD3 PRO 110 3HD PRO 110 4.624 1.714 4.854 113 H ALA 111 H ALA 111 1.964 0.354 7.308 114 HA ALA 111 HA ALA 111 1.231 -1.101 9.629 115 HB1 ALA 111 1HB ALA 111 -0.752 -0.076 7.630 116 HB2 ALA 111 2HB ALA 111 -0.887 -0.169 9.387 117 HB3 ALA 111 3HB ALA 111 0.174 1.030 8.647 118 H ALA 112 H ALA 112 1.092 -1.787 6.206 119 HA ALA 112 HA ALA 112 -0.503 -4.192 6.646 120 HB1 ALA 112 1HB ALA 112 -0.651 -2.474 4.644 121 HB2 ALA 112 2HB ALA 112 0.603 -3.518 3.972 122 HB3 ALA 112 3HB ALA 112 -0.965 -4.195 4.412 123 H SER 113 H SER 113 0.285 -6.154 5.293 124 HA SER 113 HA SER 113 3.089 -6.531 4.986 125 HB2 SER 113 2HB SER 113 3.191 -8.364 6.790 126 HB3 SER 113 3HB SER 113 3.265 -6.688 7.334 127 HG SER 113 HG SER 113 1.273 -8.587 7.679 128 H CYS 114 H CYS 114 3.147 -7.803 3.268 129 HA CYS 114 HA CYS 114 1.009 -9.339 2.324 130 HB2 CYS 114 2HB CYS 114 3.964 -9.510 1.710 131 HB3 CYS 114 3HB CYS 114 2.724 -10.383 0.816 132 H TYR 115 H TYR 115 1.826 -11.812 1.650 133 HA TYR 115 HA TYR 115 2.503 -13.166 4.168 134 HB2 TYR 115 2HB TYR 115 0.083 -13.249 3.992 135 HB3 TYR 115 3HB TYR 115 0.191 -13.854 2.342 136 HD1 TYR 115 HD1 TYR 115 1.067 -16.156 1.934 137 HD2 TYR 115 HD2 TYR 115 0.255 -14.714 5.854 138 HE1 TYR 115 HE1 TYR 115 1.063 -18.467 2.777 139 HE2 TYR 115 HE2 TYR 115 0.249 -17.020 6.708 140 HH TYR 115 HH TYR 115 0.507 -19.783 4.540 141 H CYS 116 H CYS 116 4.245 -14.361 3.837 142 HA CYS 116 HA CYS 116 5.158 -15.072 1.231 143 HB2 CYS 116 2HB CYS 116 6.132 -16.082 3.911 144 HB3 CYS 116 3HB CYS 116 7.002 -16.166 2.382 145 H ARG 117 H ARG 117 4.512 -16.730 0.044 146 HA ARG 117 HA ARG 117 3.217 -19.006 1.378 147 HB2 ARG 117 2HB ARG 117 2.825 -19.244 -1.383 148 HB3 ARG 117 3HB ARG 117 1.648 -18.722 -0.185 149 HG2 ARG 117 2HG ARG 117 1.598 -17.019 -1.745 150 HG3 ARG 117 3HG ARG 117 2.686 -16.385 -0.509 151 HD2 ARG 117 2HD ARG 117 3.940 -15.939 -2.356 152 HD3 ARG 117 3HD ARG 117 4.500 -17.579 -2.028 153 HE ARG 117 HE ARG 117 3.581 -18.220 -4.012 154 HH11 ARG 117 1HH1 ARG 117 2.053 -15.264 -2.990 155 HH12 ARG 117 2HH1 ARG 117 1.118 -15.093 -4.438 156 HH21 ARG 117 1HH2 ARG 117 2.356 -18.006 -5.924 157 HH22 ARG 117 2HH2 ARG 117 1.290 -16.654 -6.106 158 H PHE 118 H PHE 118 5.823 -18.093 -0.758 159 HA PHE 118 HA PHE 118 7.792 -19.245 -1.130 160 HB2 PHE 118 2HB PHE 118 6.910 -20.706 0.902 161 HB3 PHE 118 3HB PHE 118 6.607 -21.878 -0.377 162 HD1 PHE 118 HD1 PHE 118 9.356 -19.494 0.469 163 HD2 PHE 118 HD2 PHE 118 8.236 -23.471 -0.554 164 HE1 PHE 118 HE1 PHE 118 11.720 -20.175 0.541 165 HE2 PHE 118 HE2 PHE 118 10.597 -24.158 -0.483 166 HZ PHE 118 HZ PHE 118 12.342 -22.510 0.066 167 H PHE 119 H PHE 119 4.685 -20.602 -2.016 168 HA PHE 119 HA PHE 119 5.266 -22.329 -4.035 169 HB2 PHE 119 2HB PHE 119 2.980 -21.269 -3.154 170 HB3 PHE 119 3HB PHE 119 3.150 -20.320 -4.627 171 HD1 PHE 119 HD1 PHE 119 3.118 -23.819 -3.379 172 HD2 PHE 119 HD2 PHE 119 2.464 -21.192 -6.664 173 HE1 PHE 119 HE1 PHE 119 2.182 -25.685 -4.681 174 HE2 PHE 119 HE2 PHE 119 1.526 -23.054 -7.971 175 HZ PHE 119 HZ PHE 119 1.383 -25.304 -6.980 176 H ARG 120 H ARG 120 5.357 -18.806 -4.184 177 HA ARG 120 HA ARG 120 6.532 -19.008 -6.878 178 HB2 ARG 120 2HB ARG 120 5.547 -17.009 -7.484 179 HB3 ARG 120 3HB ARG 120 4.321 -17.684 -6.418 180 HG2 ARG 120 2HG ARG 120 4.384 -15.656 -5.469 181 HG3 ARG 120 3HG ARG 120 5.807 -16.295 -4.643 182 HD2 ARG 120 2HD ARG 120 7.118 -14.802 -5.638 183 HD3 ARG 120 3HD ARG 120 6.541 -15.295 -7.229 184 HE ARG 120 HE ARG 120 5.808 -12.949 -5.813 185 HH11 ARG 120 1HH1 ARG 120 4.548 -15.392 -7.949 186 HH12 ARG 120 2HH1 ARG 120 3.331 -14.360 -8.623 187 HH21 ARG 120 1HH2 ARG 120 4.209 -11.581 -6.692 188 HH22 ARG 120 2HH2 ARG 120 3.139 -12.192 -7.908 189 H SER 121 H SER 121 7.296 -18.520 -3.702 190 HA SER 121 HA SER 121 9.274 -17.941 -2.709 191 HB2 SER 121 2HB SER 121 10.392 -16.804 -5.240 192 HB3 SER 121 3HB SER 121 11.206 -17.703 -3.960 193 HG SER 121 HG SER 121 11.020 -19.274 -5.364 194 H ALA 122 H ALA 122 7.294 -16.305 -2.265 195 HA ALA 122 HA ALA 122 8.480 -13.823 -1.722 196 HB1 ALA 122 1HB ALA 122 8.074 -13.718 -4.268 197 HB2 ALA 122 2HB ALA 122 6.380 -13.494 -3.830 198 HB3 ALA 122 3HB ALA 122 7.594 -12.342 -3.274 199 H CYS 123 H CYS 123 6.556 -12.119 -1.287 200 HA CYS 123 HA CYS 123 4.440 -13.606 0.127 201 HB2 CYS 123 2HB CYS 123 5.516 -10.967 1.091 202 HB3 CYS 123 3HB CYS 123 4.599 -12.175 1.986 203 H TYR 124 H TYR 124 2.553 -13.243 -0.822 204 HA TYR 124 HA TYR 124 2.097 -10.828 -2.358 205 HB2 TYR 124 2HB TYR 124 0.089 -11.887 -3.129 206 HB3 TYR 124 3HB TYR 124 1.363 -13.102 -3.135 207 HD1 TYR 124 HD2 TYR 124 1.452 -14.761 -1.221 208 HD2 TYR 124 HD1 TYR 124 -1.889 -12.215 -1.897 209 HE1 TYR 124 HE2 TYR 124 0.053 -16.239 0.160 210 HE2 TYR 124 HE1 TYR 124 -3.296 -13.685 -0.517 211 HH TYR 124 HH TYR 124 -2.181 -16.781 0.597 212 H CYS 125 H CYS 125 0.495 -9.301 -1.958 213 HA CYS 125 HA CYS 125 0.012 -8.713 0.779 214 HB2 CYS 125 2HB CYS 125 -0.503 -7.445 -1.819 215 HB3 CYS 125 3HB CYS 125 -1.726 -7.096 -0.602 216 H ARG 126 H ARG 126 -1.078 -10.618 1.509 217 HA ARG 126 HA ARG 126 -3.460 -11.630 0.483 218 HB2 ARG 126 2HB ARG 126 -3.842 -12.413 2.889 219 HB3 ARG 126 3HB ARG 126 -2.368 -12.949 2.093 220 HG2 ARG 126 2HG ARG 126 -1.018 -11.674 3.424 221 HG3 ARG 126 3HG ARG 126 -2.271 -10.469 3.728 222 HD2 ARG 126 2HD ARG 126 -3.218 -11.680 5.422 223 HD3 ARG 126 3HD ARG 126 -2.697 -13.226 4.753 224 HE ARG 126 HE ARG 126 -0.369 -12.097 5.485 225 HH11 ARG 126 1HH1 ARG 126 -3.387 -12.558 7.157 226 HH12 ARG 126 2HH1 ARG 126 -2.651 -12.682 8.721 227 HH21 ARG 126 1HH2 ARG 126 0.612 -12.259 7.538 228 HH22 ARG 126 2HH2 ARG 126 -0.377 -12.511 8.937 Start of MODEL 13 1 H1 CYS 93 H CYS 93 1.793 -0.043 0.869 2 HA CYS 93 HA CYS 93 2.411 1.022 -1.419 3 HB2 CYS 93 2HB CYS 93 3.674 -0.840 -0.040 4 HB3 CYS 93 3HB CYS 93 3.098 -1.887 -1.333 5 H VAL 94 H VAL 94 0.851 -2.186 -1.429 6 HA VAL 94 HA VAL 94 -0.086 -1.616 -4.166 7 HB VAL 94 HB VAL 94 1.448 -3.717 -3.462 8 HG11 VAL 94 1HG1 VAL 94 0.238 -5.667 -3.028 9 HG12 VAL 94 2HG1 VAL 94 -0.501 -4.464 -1.969 10 HG13 VAL 94 3HG1 VAL 94 -1.298 -4.924 -3.475 11 HG21 VAL 94 3HG2 VAL 94 -0.567 -3.278 -5.599 12 HG22 VAL 94 1HG2 VAL 94 1.183 -3.460 -5.712 13 HG23 VAL 94 2HG2 VAL 94 0.163 -4.878 -5.469 14 H ALA 95 H ALA 95 -2.145 -2.855 -4.713 15 HA ALA 95 HA ALA 95 -4.207 -1.999 -2.976 16 HB1 ALA 95 1HB ALA 95 -4.032 -3.398 -5.559 17 HB2 ALA 95 2HB ALA 95 -5.486 -3.723 -4.615 18 HB3 ALA 95 3HB ALA 95 -5.072 -2.065 -5.053 19 H THR 96 H THR 96 -3.983 -5.331 -4.151 20 HA THR 96 HA THR 96 -3.534 -6.605 -1.707 21 HB THR 96 HB THR 96 -6.184 -7.421 -1.844 22 HG1 THR 96 HG1 THR 96 -7.235 -5.287 -1.571 23 HG21 THR 96 3HG2 THR 96 -6.235 -6.818 0.363 24 HG22 THR 96 1HG2 THR 96 -5.444 -5.270 0.073 25 HG23 THR 96 2HG2 THR 96 -4.494 -6.755 0.092 26 H ARG 97 H ARG 97 -2.835 -8.552 -2.273 27 HA ARG 97 HA ARG 97 -2.385 -10.388 -3.554 28 HB2 ARG 97 2HB ARG 97 -4.710 -10.808 -2.539 29 HB3 ARG 97 3HB ARG 97 -5.336 -10.448 -4.142 30 HG2 ARG 97 2HG ARG 97 -3.383 -12.282 -4.685 31 HG3 ARG 97 3HG ARG 97 -4.014 -12.845 -3.136 32 HD2 ARG 97 2HD ARG 97 -5.200 -13.856 -5.030 33 HD3 ARG 97 3HD ARG 97 -6.269 -12.865 -4.038 34 HE ARG 97 HE ARG 97 -5.302 -11.258 -6.094 35 HH11 ARG 97 1HH1 ARG 97 -7.299 -14.082 -5.700 36 HH12 ARG 97 2HH1 ARG 97 -8.253 -13.765 -7.112 37 HH21 ARG 97 1HH2 ARG 97 -6.551 -10.829 -7.955 38 HH22 ARG 97 2HH2 ARG 97 -7.826 -11.915 -8.394 39 H ASN 98 H ASN 98 -2.024 -7.987 -4.946 40 HA ASN 98 HA ASN 98 -2.855 -8.754 -7.667 41 HB2 ASN 98 2HB ASN 98 -3.076 -6.221 -6.265 42 HB3 ASN 98 3HB ASN 98 -2.158 -6.051 -7.758 43 HD21 ASN 98 1HD2 ASN 98 -5.048 -7.789 -6.642 44 HD22 ASN 98 2HD2 ASN 98 -6.034 -7.357 -7.993 45 H SER 99 H SER 99 -0.432 -6.598 -6.181 46 HA SER 99 HA SER 99 1.775 -8.130 -7.141 47 HB2 SER 99 2HB SER 99 1.045 -7.089 -9.266 48 HB3 SER 99 3HB SER 99 1.231 -5.496 -8.533 49 HG SER 99 HG SER 99 3.420 -5.829 -8.391 50 H CYS 100 H CYS 100 1.906 -7.772 -4.757 51 HA CYS 100 HA CYS 100 2.212 -5.584 -3.290 52 HB2 CYS 100 2HB CYS 100 3.596 -8.167 -3.325 53 HB3 CYS 100 3HB CYS 100 4.525 -6.887 -2.551 54 H LYS 101 H LYS 101 4.748 -6.748 -5.494 55 HA LYS 101 HA LYS 101 5.760 -4.000 -5.664 56 HB2 LYS 101 2HB LYS 101 8.020 -4.638 -5.362 57 HB3 LYS 101 3HB LYS 101 7.130 -5.399 -4.050 58 HG2 LYS 101 2HG LYS 101 8.191 -7.265 -4.636 59 HG3 LYS 101 3HG LYS 101 7.071 -7.323 -6.000 60 HD2 LYS 101 2HD LYS 101 9.316 -7.583 -6.825 61 HD3 LYS 101 3HD LYS 101 8.705 -6.005 -7.328 62 HE2 LYS 101 2HE LYS 101 10.392 -4.987 -6.304 63 HE3 LYS 101 3HE LYS 101 9.975 -5.763 -4.777 64 HZ1 LYS 101 3HZ LYS 101 12.162 -6.281 -6.472 65 HZ2 LYS 101 1HZ LYS 101 11.218 -7.680 -6.357 66 HZ3 LYS 101 2HZ LYS 101 11.819 -6.949 -4.956 67 HA PRO 102 HA PRO 102 5.815 -4.738 -9.995 68 HB2 PRO 102 2HB PRO 102 7.768 -3.014 -10.758 69 HB3 PRO 102 3HB PRO 102 6.164 -2.481 -10.240 70 HG2 PRO 102 2HG PRO 102 8.722 -2.575 -8.687 71 HG3 PRO 102 3HG PRO 102 7.489 -1.302 -8.736 72 HD2 PRO 102 2HD PRO 102 7.648 -3.099 -6.717 73 HD3 PRO 102 3HD PRO 102 6.106 -2.411 -7.262 74 H ALA 103 H ALA 103 6.824 -6.935 -9.195 75 HA ALA 103 HA ALA 103 8.642 -7.836 -11.005 76 HB1 ALA 103 1HB ALA 103 10.555 -6.813 -10.456 77 HB2 ALA 103 2HB ALA 103 9.967 -6.363 -8.854 78 HB3 ALA 103 3HB ALA 103 10.622 -7.977 -9.132 79 H ALA 104 H ALA 104 7.366 -8.012 -7.791 80 HA ALA 104 HA ALA 104 6.842 -10.788 -7.997 81 HB1 ALA 104 1HB ALA 104 9.345 -10.696 -7.479 82 HB2 ALA 104 2HB ALA 104 8.861 -10.172 -5.865 83 HB3 ALA 104 3HB ALA 104 8.340 -11.742 -6.476 84 H ALA 105 H ALA 105 7.131 -11.109 -5.022 85 HA ALA 105 HA ALA 105 4.819 -9.451 -4.247 86 HB1 ALA 105 1HB ALA 105 5.401 -12.023 -2.866 87 HB2 ALA 105 2HB ALA 105 3.858 -11.218 -3.153 88 HB3 ALA 105 3HB ALA 105 4.668 -12.066 -4.470 89 H ALA 106 H ALA 106 6.007 -7.774 -3.336 90 HA ALA 106 HA ALA 106 7.047 -8.338 -0.684 91 HB1 ALA 106 1HB ALA 106 8.787 -6.728 -2.518 92 HB2 ALA 106 2HB ALA 106 9.194 -7.479 -0.975 93 HB3 ALA 106 3HB ALA 106 8.950 -8.480 -2.406 94 H CYS 107 H CYS 107 5.059 -7.170 -0.225 95 HA CYS 107 HA CYS 107 4.455 -4.593 -1.051 96 HB2 CYS 107 2HB CYS 107 3.916 -5.874 1.637 97 HB3 CYS 107 3HB CYS 107 3.131 -4.417 1.036 98 H CYS 108 H CYS 108 4.501 -2.604 0.344 99 HA CYS 108 HA CYS 108 7.064 -2.390 1.782 100 HB2 CYS 108 2HB CYS 108 6.140 0.087 0.529 101 HB3 CYS 108 3HB CYS 108 7.738 -0.651 0.519 102 H ASP 109 H ASP 109 3.698 -1.712 1.674 103 HA ASP 109 HA ASP 109 3.373 0.424 3.375 104 HB2 ASP 109 2HB ASP 109 1.697 -1.426 2.229 105 HB3 ASP 109 3HB ASP 109 1.524 -1.783 3.946 106 HA PRO 110 HA PRO 110 5.237 -0.961 7.150 107 HB2 PRO 110 2HB PRO 110 4.403 1.110 8.695 108 HB3 PRO 110 3HB PRO 110 5.725 1.252 7.530 109 HG2 PRO 110 2HG PRO 110 2.858 2.067 7.252 110 HG3 PRO 110 3HG PRO 110 4.321 2.939 6.759 111 HD2 PRO 110 2HD PRO 110 2.799 1.543 5.008 112 HD3 PRO 110 3HD PRO 110 4.558 1.706 4.826 113 H ALA 111 H ALA 111 1.920 0.346 7.303 114 HA ALA 111 HA ALA 111 1.218 -1.084 9.654 115 HB1 ALA 111 1HB ALA 111 -0.001 0.887 9.179 116 HB2 ALA 111 2HB ALA 111 -0.430 0.319 7.565 117 HB3 ALA 111 3HB ALA 111 -1.132 -0.453 8.986 118 H ALA 112 H ALA 112 1.073 -1.807 6.240 119 HA ALA 112 HA ALA 112 -0.495 -4.224 6.713 120 HB1 ALA 112 1HB ALA 112 -0.686 -2.530 4.698 121 HB2 ALA 112 2HB ALA 112 0.585 -3.553 4.026 122 HB3 ALA 112 3HB ALA 112 -0.966 -4.258 4.479 123 H SER 113 H SER 113 0.306 -6.189 5.372 124 HA SER 113 HA SER 113 3.115 -6.534 5.055 125 HB2 SER 113 2HB SER 113 3.228 -8.366 6.866 126 HB3 SER 113 3HB SER 113 3.308 -6.686 7.398 127 HG SER 113 HG SER 113 1.688 -8.427 8.316 128 H CYS 114 H CYS 114 3.165 -7.795 3.327 129 HA CYS 114 HA CYS 114 1.047 -9.365 2.403 130 HB2 CYS 114 2HB CYS 114 4.000 -9.514 1.771 131 HB3 CYS 114 3HB CYS 114 2.755 -10.381 0.878 132 H TYR 115 H TYR 115 1.860 -11.828 1.734 133 HA TYR 115 HA TYR 115 2.571 -13.169 4.251 134 HB2 TYR 115 2HB TYR 115 0.153 -13.289 4.065 135 HB3 TYR 115 3HB TYR 115 0.277 -13.896 2.418 136 HD1 TYR 115 HD2 TYR 115 1.144 -16.188 2.010 137 HD2 TYR 115 HD1 TYR 115 0.392 -14.743 5.941 138 HE1 TYR 115 HE2 TYR 115 1.171 -18.497 2.858 139 HE2 TYR 115 HE1 TYR 115 0.419 -17.047 6.800 140 HH TYR 115 HH TYR 115 0.248 -19.752 4.810 141 H CYS 116 H CYS 116 4.335 -14.333 3.927 142 HA CYS 116 HA CYS 116 5.264 -15.036 1.324 143 HB2 CYS 116 2HB CYS 116 6.256 -16.028 4.004 144 HB3 CYS 116 3HB CYS 116 7.130 -16.082 2.476 145 H ARG 117 H ARG 117 4.640 -16.708 0.143 146 HA ARG 117 HA ARG 117 3.385 -19.001 1.484 147 HB2 ARG 117 2HB ARG 117 3.008 -19.262 -1.275 148 HB3 ARG 117 3HB ARG 117 1.819 -18.749 -0.086 149 HG2 ARG 117 2HG ARG 117 1.750 -17.059 -1.661 150 HG3 ARG 117 3HG ARG 117 2.822 -16.399 -0.424 151 HD2 ARG 117 2HD ARG 117 4.072 -15.946 -2.274 152 HD3 ARG 117 3HD ARG 117 4.664 -17.569 -1.920 153 HE ARG 117 HE ARG 117 3.795 -18.239 -3.913 154 HH11 ARG 117 1HH1 ARG 117 2.112 -15.368 -2.892 155 HH12 ARG 117 2HH1 ARG 117 1.163 -15.253 -4.337 156 HH21 ARG 117 1HH2 ARG 117 2.551 -18.099 -5.820 157 HH22 ARG 117 2HH2 ARG 117 1.412 -16.807 -6.001 158 H PHE 118 H PHE 118 5.989 -18.054 -0.639 159 HA PHE 118 HA PHE 118 7.977 -19.174 -1.000 160 HB2 PHE 118 2HB PHE 118 7.112 -20.636 1.040 161 HB3 PHE 118 3HB PHE 118 6.837 -21.822 -0.231 162 HD1 PHE 118 HD2 PHE 118 9.542 -19.376 0.577 163 HD2 PHE 118 HD1 PHE 118 8.491 -23.393 -0.357 164 HE1 PHE 118 HE2 PHE 118 11.916 -20.013 0.664 165 HE2 PHE 118 HE1 PHE 118 10.864 -24.038 -0.270 166 HZ PHE 118 HZ PHE 118 12.580 -22.347 0.239 167 H PHE 119 H PHE 119 4.901 -20.613 -1.878 168 HA PHE 119 HA PHE 119 5.525 -22.336 -3.886 169 HB2 PHE 119 2HB PHE 119 3.213 -21.317 -3.015 170 HB3 PHE 119 3HB PHE 119 3.363 -20.385 -4.501 171 HD1 PHE 119 HD1 PHE 119 3.754 -23.920 -3.364 172 HD2 PHE 119 HD2 PHE 119 2.355 -21.247 -6.366 173 HE1 PHE 119 HE1 PHE 119 2.863 -25.825 -4.641 174 HE2 PHE 119 HE2 PHE 119 1.461 -23.148 -7.647 175 HZ PHE 119 HZ PHE 119 1.714 -25.441 -6.785 176 H ARG 120 H ARG 120 5.575 -18.818 -4.039 177 HA ARG 120 HA ARG 120 6.742 -19.008 -6.738 178 HB2 ARG 120 2HB ARG 120 5.721 -17.029 -7.353 179 HB3 ARG 120 3HB ARG 120 4.505 -17.728 -6.293 180 HG2 ARG 120 2HG ARG 120 4.519 -15.702 -5.341 181 HG3 ARG 120 3HG ARG 120 5.958 -16.303 -4.514 182 HD2 ARG 120 2HD ARG 120 7.235 -14.785 -5.518 183 HD3 ARG 120 3HD ARG 120 6.655 -15.284 -7.107 184 HE ARG 120 HE ARG 120 5.886 -12.959 -5.676 185 HH11 ARG 120 1HH1 ARG 120 4.656 -15.423 -7.807 186 HH12 ARG 120 2HH1 ARG 120 3.410 -14.415 -8.465 187 HH21 ARG 120 1HH2 ARG 120 4.250 -11.623 -6.535 188 HH22 ARG 120 2HH2 ARG 120 3.180 -12.253 -7.741 189 H SER 121 H SER 121 7.470 -18.455 -3.553 190 HA SER 121 HA SER 121 9.439 -17.837 -2.561 191 HB2 SER 121 2HB SER 121 10.348 -18.441 -4.977 192 HB3 SER 121 3HB SER 121 10.559 -16.693 -5.084 193 HG SER 121 HG SER 121 12.237 -18.306 -4.034 194 H ALA 122 H ALA 122 7.426 -16.235 -2.143 195 HA ALA 122 HA ALA 122 8.560 -13.726 -1.619 196 HB1 ALA 122 1HB ALA 122 8.175 -13.651 -4.168 197 HB2 ALA 122 2HB ALA 122 6.472 -13.461 -3.748 198 HB3 ALA 122 3HB ALA 122 7.654 -12.277 -3.192 199 H CYS 123 H CYS 123 6.637 -12.056 -1.168 200 HA CYS 123 HA CYS 123 4.522 -13.566 0.223 201 HB2 CYS 123 2HB CYS 123 5.561 -10.910 1.182 202 HB3 CYS 123 3HB CYS 123 4.647 -12.121 2.076 203 H TYR 124 H TYR 124 2.624 -13.224 -0.708 204 HA TYR 124 HA TYR 124 2.147 -10.818 -2.258 205 HB2 TYR 124 2HB TYR 124 0.165 -11.910 -3.052 206 HB3 TYR 124 3HB TYR 124 1.462 -13.100 -3.053 207 HD1 TYR 124 HD1 TYR 124 1.570 -14.761 -1.137 208 HD2 TYR 124 HD2 TYR 124 -1.820 -12.291 -1.852 209 HE1 TYR 124 HE1 TYR 124 0.189 -16.273 0.226 210 HE2 TYR 124 HE2 TYR 124 -3.210 -13.796 -0.490 211 HH TYR 124 HH TYR 124 -2.965 -15.451 1.257 212 H CYS 125 H CYS 125 0.545 -9.304 -1.854 213 HA CYS 125 HA CYS 125 0.011 -8.752 0.878 214 HB2 CYS 125 2HB CYS 125 -0.545 -7.478 -1.725 215 HB3 CYS 125 3HB CYS 125 -1.707 -7.114 -0.454 216 H ARG 126 H ARG 126 -1.055 -10.718 1.531 217 HA ARG 126 HA ARG 126 -3.379 -11.780 0.496 218 HB2 ARG 126 2HB ARG 126 -3.852 -12.431 2.947 219 HB3 ARG 126 3HB ARG 126 -2.377 -13.027 2.197 220 HG2 ARG 126 2HG ARG 126 -1.027 -11.558 3.401 221 HG3 ARG 126 3HG ARG 126 -2.384 -10.509 3.816 222 HD2 ARG 126 2HD ARG 126 -1.427 -12.076 5.628 223 HD3 ARG 126 3HD ARG 126 -3.177 -11.965 5.441 224 HE ARG 126 HE ARG 126 -1.482 -14.221 4.662 225 HH11 ARG 126 1HH1 ARG 126 -4.644 -12.800 4.975 226 HH12 ARG 126 2HH1 ARG 126 -5.483 -14.303 4.776 227 HH21 ARG 126 1HH2 ARG 126 -2.574 -16.207 4.398 228 HH22 ARG 126 2HH2 ARG 126 -4.304 -16.240 4.449 Start of MODEL 14 1 H1 CYS 93 H CYS 93 1.659 -0.052 0.821 2 HA CYS 93 HA CYS 93 2.301 1.050 -1.456 3 HB2 CYS 93 2HB CYS 93 3.574 -0.783 -0.059 4 HB3 CYS 93 3HB CYS 93 3.019 -1.853 -1.342 5 H VAL 94 H VAL 94 0.790 -2.182 -1.494 6 HA VAL 94 HA VAL 94 -0.105 -1.627 -4.247 7 HB VAL 94 HB VAL 94 1.431 -3.712 -3.506 8 HG11 VAL 94 1HG1 VAL 94 -1.306 -4.939 -3.553 9 HG12 VAL 94 2HG1 VAL 94 0.229 -5.671 -3.080 10 HG13 VAL 94 3HG1 VAL 94 -0.533 -4.467 -2.040 11 HG21 VAL 94 3HG2 VAL 94 1.194 -3.459 -5.764 12 HG22 VAL 94 1HG2 VAL 94 0.201 -4.897 -5.525 13 HG23 VAL 94 2HG2 VAL 94 -0.562 -3.314 -5.676 14 H ALA 95 H ALA 95 -2.146 -2.873 -4.831 15 HA ALA 95 HA ALA 95 -4.249 -2.023 -3.149 16 HB1 ALA 95 1HB ALA 95 -5.669 -3.427 -4.717 17 HB2 ALA 95 2HB ALA 95 -4.717 -2.136 -5.452 18 HB3 ALA 95 3HB ALA 95 -4.170 -3.809 -5.564 19 H THR 96 H THR 96 -3.964 -5.371 -4.265 20 HA THR 96 HA THR 96 -3.552 -6.608 -1.799 21 HB THR 96 HB THR 96 -6.192 -7.441 -1.949 22 HG1 THR 96 HG1 THR 96 -7.303 -5.361 -1.784 23 HG21 THR 96 3HG2 THR 96 -5.531 -5.240 -0.072 24 HG22 THR 96 1HG2 THR 96 -4.518 -6.682 -0.015 25 HG23 THR 96 2HG2 THR 96 -6.257 -6.815 0.243 26 H ARG 97 H ARG 97 -2.866 -8.578 -2.306 27 HA ARG 97 HA ARG 97 -2.393 -10.433 -3.550 28 HB2 ARG 97 2HB ARG 97 -4.739 -10.834 -2.590 29 HB3 ARG 97 3HB ARG 97 -5.331 -10.475 -4.206 30 HG2 ARG 97 2HG ARG 97 -3.390 -12.326 -4.713 31 HG3 ARG 97 3HG ARG 97 -4.042 -12.877 -3.168 32 HD2 ARG 97 2HD ARG 97 -5.224 -13.899 -5.045 33 HD3 ARG 97 3HD ARG 97 -6.294 -12.862 -4.103 34 HE ARG 97 HE ARG 97 -5.260 -11.322 -6.173 35 HH11 ARG 97 1HH1 ARG 97 -7.290 -14.122 -5.774 36 HH12 ARG 97 2HH1 ARG 97 -8.199 -13.831 -7.219 37 HH21 ARG 97 1HH2 ARG 97 -6.450 -10.928 -8.079 38 HH22 ARG 97 2HH2 ARG 97 -7.720 -12.014 -8.530 39 H ASN 98 H ASN 98 -1.962 -8.067 -4.966 40 HA ASN 98 HA ASN 98 -2.721 -8.868 -7.698 41 HB2 ASN 98 2HB ASN 98 -3.009 -6.322 -6.344 42 HB3 ASN 98 3HB ASN 98 -2.020 -6.160 -7.793 43 HD21 ASN 98 1HD2 ASN 98 -5.140 -6.403 -6.557 44 HD22 ASN 98 2HD2 ASN 98 -5.990 -6.569 -8.053 45 H SER 99 H SER 99 -0.406 -6.497 -6.419 46 HA SER 99 HA SER 99 1.856 -8.098 -7.234 47 HB2 SER 99 2HB SER 99 2.729 -6.555 -8.873 48 HB3 SER 99 3HB SER 99 1.090 -6.995 -9.351 49 HG SER 99 HG SER 99 1.365 -4.764 -9.519 50 H CYS 100 H CYS 100 1.972 -7.772 -4.855 51 HA CYS 100 HA CYS 100 2.232 -5.583 -3.366 52 HB2 CYS 100 2HB CYS 100 3.617 -8.166 -3.385 53 HB3 CYS 100 3HB CYS 100 4.525 -6.890 -2.581 54 H LYS 101 H LYS 101 4.767 -6.720 -5.576 55 HA LYS 101 HA LYS 101 5.792 -3.981 -5.712 56 HB2 LYS 101 2HB LYS 101 8.042 -4.590 -5.328 57 HB3 LYS 101 3HB LYS 101 7.123 -5.373 -4.048 58 HG2 LYS 101 2HG LYS 101 8.247 -7.211 -4.613 59 HG3 LYS 101 3HG LYS 101 7.151 -7.292 -5.994 60 HD2 LYS 101 2HD LYS 101 9.412 -7.507 -6.785 61 HD3 LYS 101 3HD LYS 101 8.779 -5.941 -7.297 62 HE2 LYS 101 2HE LYS 101 11.120 -5.890 -6.411 63 HE3 LYS 101 3HE LYS 101 9.996 -4.807 -5.591 64 HZ1 LYS 101 3HZ LYS 101 9.958 -6.128 -3.716 65 HZ2 LYS 101 1HZ LYS 101 11.575 -6.255 -4.195 66 HZ3 LYS 101 2HZ LYS 101 10.492 -7.510 -4.530 67 HA PRO 102 HA PRO 102 5.967 -4.764 -10.033 68 HB2 PRO 102 2HB PRO 102 7.922 -3.027 -10.762 69 HB3 PRO 102 3HB PRO 102 6.299 -2.505 -10.292 70 HG2 PRO 102 2HG PRO 102 8.815 -2.556 -8.671 71 HG3 PRO 102 3HG PRO 102 7.571 -1.297 -8.766 72 HD2 PRO 102 2HD PRO 102 7.695 -3.071 -6.724 73 HD3 PRO 102 3HD PRO 102 6.161 -2.405 -7.318 74 H ALA 103 H ALA 103 6.981 -6.939 -9.172 75 HA ALA 103 HA ALA 103 8.856 -7.840 -10.928 76 HB1 ALA 103 1HB ALA 103 10.103 -6.298 -8.796 77 HB2 ALA 103 2HB ALA 103 10.763 -7.927 -8.951 78 HB3 ALA 103 3HB ALA 103 10.763 -6.840 -10.340 79 H ALA 104 H ALA 104 7.500 -7.998 -7.744 80 HA ALA 104 HA ALA 104 7.010 -10.783 -7.940 81 HB1 ALA 104 1HB ALA 104 8.942 -10.133 -5.741 82 HB2 ALA 104 2HB ALA 104 8.480 -11.709 -6.384 83 HB3 ALA 104 3HB ALA 104 9.501 -10.633 -7.337 84 H ALA 105 H ALA 105 7.178 -11.106 -4.974 85 HA ALA 105 HA ALA 105 4.846 -9.444 -4.276 86 HB1 ALA 105 1HB ALA 105 3.859 -11.211 -3.186 87 HB2 ALA 105 2HB ALA 105 4.670 -12.041 -4.514 88 HB3 ALA 105 3HB ALA 105 5.393 -12.036 -2.906 89 H ALA 106 H ALA 106 6.036 -7.770 -3.341 90 HA ALA 106 HA ALA 106 6.961 -8.332 -0.644 91 HB1 ALA 106 1HB ALA 106 8.887 -8.392 -2.469 92 HB2 ALA 106 2HB ALA 106 8.816 -6.646 -2.231 93 HB3 ALA 106 3HB ALA 106 9.139 -7.710 -0.862 94 H CYS 107 H CYS 107 4.992 -7.141 -0.228 95 HA CYS 107 HA CYS 107 4.415 -4.572 -1.098 96 HB2 CYS 107 2HB CYS 107 3.822 -5.855 1.576 97 HB3 CYS 107 3HB CYS 107 3.089 -4.359 1.006 98 H CYS 108 H CYS 108 4.426 -2.576 0.316 99 HA CYS 108 HA CYS 108 6.993 -2.344 1.745 100 HB2 CYS 108 2HB CYS 108 6.025 0.127 0.505 101 HB3 CYS 108 3HB CYS 108 7.637 -0.580 0.498 102 H ASP 109 H ASP 109 3.618 -1.677 1.646 103 HA ASP 109 HA ASP 109 3.283 0.436 3.367 104 HB2 ASP 109 2HB ASP 109 1.615 -1.407 2.213 105 HB3 ASP 109 3HB ASP 109 1.462 -1.804 3.922 106 HA PRO 110 HA PRO 110 5.191 -0.969 7.116 107 HB2 PRO 110 2HB PRO 110 4.387 1.106 8.672 108 HB3 PRO 110 3HB PRO 110 5.698 1.240 7.494 109 HG2 PRO 110 2HG PRO 110 2.834 2.075 7.245 110 HG3 PRO 110 3HG PRO 110 4.299 2.937 6.739 111 HD2 PRO 110 2HD PRO 110 2.750 1.554 5.002 112 HD3 PRO 110 3HD PRO 110 4.507 1.705 4.803 113 H ALA 111 H ALA 111 1.877 0.341 7.278 114 HA ALA 111 HA ALA 111 1.188 -1.075 9.644 115 HB1 ALA 111 1HB ALA 111 -1.066 -0.315 9.239 116 HB2 ALA 111 2HB ALA 111 0.064 0.999 8.909 117 HB3 ALA 111 3HB ALA 111 -0.662 0.103 7.574 118 H ALA 112 H ALA 112 1.068 -1.828 6.244 119 HA ALA 112 HA ALA 112 -0.514 -4.238 6.735 120 HB1 ALA 112 1HB ALA 112 -0.730 -2.543 4.719 121 HB2 ALA 112 2HB ALA 112 0.524 -3.576 4.031 122 HB3 ALA 112 3HB ALA 112 -1.024 -4.270 4.512 123 H SER 113 H SER 113 0.288 -6.180 5.319 124 HA SER 113 HA SER 113 3.089 -6.520 4.987 125 HB2 SER 113 2HB SER 113 2.559 -6.626 7.584 126 HB3 SER 113 3HB SER 113 2.076 -8.274 7.184 127 HG SER 113 HG SER 113 4.213 -8.395 6.120 128 H CYS 114 H CYS 114 3.146 -7.798 3.274 129 HA CYS 114 HA CYS 114 1.019 -9.358 2.352 130 HB2 CYS 114 2HB CYS 114 3.972 -9.507 1.721 131 HB3 CYS 114 3HB CYS 114 2.735 -10.396 0.838 132 H TYR 115 H TYR 115 1.829 -11.827 1.687 133 HA TYR 115 HA TYR 115 2.527 -13.165 4.209 134 HB2 TYR 115 2HB TYR 115 0.109 -13.277 4.019 135 HB3 TYR 115 3HB TYR 115 0.234 -13.886 2.372 136 HD1 TYR 115 HD2 TYR 115 1.137 -16.179 1.976 137 HD2 TYR 115 HD1 TYR 115 0.293 -14.734 5.888 138 HE1 TYR 115 HE2 TYR 115 1.154 -18.487 2.826 139 HE2 TYR 115 HE1 TYR 115 0.309 -17.038 6.749 140 HH TYR 115 HH TYR 115 0.111 -19.271 6.036 141 H CYS 116 H CYS 116 4.293 -14.327 3.887 142 HA CYS 116 HA CYS 116 5.223 -15.043 1.289 143 HB2 CYS 116 2HB CYS 116 6.206 -16.027 3.975 144 HB3 CYS 116 3HB CYS 116 7.082 -16.096 2.449 145 H ARG 117 H ARG 117 4.606 -16.719 0.111 146 HA ARG 117 HA ARG 117 3.336 -19.003 1.455 147 HB2 ARG 117 2HB ARG 117 2.968 -19.272 -1.305 148 HB3 ARG 117 3HB ARG 117 1.776 -18.751 -0.121 149 HG2 ARG 117 2HG ARG 117 1.717 -17.067 -1.702 150 HG3 ARG 117 3HG ARG 117 2.787 -16.406 -0.463 151 HD2 ARG 117 2HD ARG 117 4.049 -15.964 -2.307 152 HD3 ARG 117 3HD ARG 117 4.630 -17.590 -1.952 153 HE ARG 117 HE ARG 117 3.755 -18.260 -3.943 154 HH11 ARG 117 1HH1 ARG 117 2.115 -15.357 -2.943 155 HH12 ARG 117 2HH1 ARG 117 1.177 -15.231 -4.394 156 HH21 ARG 117 1HH2 ARG 117 2.526 -18.105 -5.859 157 HH22 ARG 117 2HH2 ARG 117 1.411 -16.795 -6.052 158 H PHE 118 H PHE 118 5.949 -18.071 -0.664 159 HA PHE 118 HA PHE 118 7.936 -19.199 -1.012 160 HB2 PHE 118 2HB PHE 118 7.054 -20.656 1.025 161 HB3 PHE 118 3HB PHE 118 6.784 -21.842 -0.247 162 HD1 PHE 118 HD2 PHE 118 9.461 -19.468 0.822 163 HD2 PHE 118 HD1 PHE 118 8.465 -23.351 -0.608 164 HE1 PHE 118 HE2 PHE 118 11.833 -20.110 0.926 165 HE2 PHE 118 HE1 PHE 118 10.836 -24.000 -0.506 166 HZ PHE 118 HZ PHE 118 12.524 -22.379 0.261 167 H PHE 119 H PHE 119 4.857 -20.617 -1.907 168 HA PHE 119 HA PHE 119 5.485 -22.347 -3.909 169 HB2 PHE 119 2HB PHE 119 3.173 -21.316 -3.048 170 HB3 PHE 119 3HB PHE 119 3.333 -20.392 -4.539 171 HD1 PHE 119 HD1 PHE 119 3.167 -23.818 -3.161 172 HD2 PHE 119 HD2 PHE 119 2.868 -21.363 -6.625 173 HE1 PHE 119 HE1 PHE 119 2.274 -25.726 -4.432 174 HE2 PHE 119 HE2 PHE 119 1.973 -23.267 -7.901 175 HZ PHE 119 HZ PHE 119 1.675 -25.452 -6.805 176 H ARG 120 H ARG 120 5.536 -18.828 -4.069 177 HA ARG 120 HA ARG 120 6.719 -19.023 -6.761 178 HB2 ARG 120 2HB ARG 120 5.703 -17.044 -7.382 179 HB3 ARG 120 3HB ARG 120 4.482 -17.738 -6.325 180 HG2 ARG 120 2HG ARG 120 4.498 -15.708 -5.380 181 HG3 ARG 120 3HG ARG 120 5.928 -16.314 -4.543 182 HD2 ARG 120 2HD ARG 120 7.220 -14.805 -5.541 183 HD3 ARG 120 3HD ARG 120 6.648 -15.304 -7.133 184 HE ARG 120 HE ARG 120 5.871 -12.978 -5.698 185 HH11 ARG 120 1HH1 ARG 120 4.683 -15.418 -7.879 186 HH12 ARG 120 2HH1 ARG 120 3.457 -14.399 -8.557 187 HH21 ARG 120 1HH2 ARG 120 4.260 -11.628 -6.583 188 HH22 ARG 120 2HH2 ARG 120 3.217 -12.244 -7.820 189 H SER 121 H SER 121 7.448 -18.492 -3.580 190 HA SER 121 HA SER 121 9.409 -17.871 -2.577 191 HB2 SER 121 2HB SER 121 10.528 -16.742 -5.112 192 HB3 SER 121 3HB SER 121 11.347 -17.613 -3.816 193 HG SER 121 HG SER 121 10.689 -18.638 -6.045 194 H ALA 122 H ALA 122 7.399 -16.264 -2.166 195 HA ALA 122 HA ALA 122 8.540 -13.757 -1.640 196 HB1 ALA 122 1HB ALA 122 6.454 -13.498 -3.774 197 HB2 ALA 122 2HB ALA 122 7.625 -12.305 -3.210 198 HB3 ALA 122 3HB ALA 122 8.160 -13.674 -4.185 199 H CYS 123 H CYS 123 6.602 -12.082 -1.214 200 HA CYS 123 HA CYS 123 4.492 -13.588 0.189 201 HB2 CYS 123 2HB CYS 123 5.524 -10.929 1.144 202 HB3 CYS 123 3HB CYS 123 4.619 -12.145 2.040 203 H TYR 124 H TYR 124 2.600 -13.252 -0.757 204 HA TYR 124 HA TYR 124 2.123 -10.849 -2.311 205 HB2 TYR 124 2HB TYR 124 0.137 -11.941 -3.098 206 HB3 TYR 124 3HB TYR 124 1.434 -13.131 -3.098 207 HD1 TYR 124 HD2 TYR 124 1.547 -14.786 -1.177 208 HD2 TYR 124 HD1 TYR 124 -1.845 -12.319 -1.891 209 HE1 TYR 124 HE2 TYR 124 0.168 -16.295 0.191 210 HE2 TYR 124 HE1 TYR 124 -3.233 -13.820 -0.524 211 HH TYR 124 HH TYR 124 -1.861 -16.342 1.403 212 H CYS 125 H CYS 125 0.511 -9.338 -1.920 213 HA CYS 125 HA CYS 125 -0.013 -8.760 0.808 214 HB2 CYS 125 2HB CYS 125 -0.553 -7.510 -1.800 215 HB3 CYS 125 3HB CYS 125 -1.761 -7.164 -0.566 216 H ARG 126 H ARG 126 -1.059 -10.735 1.479 217 HA ARG 126 HA ARG 126 -3.384 -11.818 0.473 218 HB2 ARG 126 2HB ARG 126 -3.836 -12.454 2.930 219 HB3 ARG 126 3HB ARG 126 -2.360 -13.042 2.177 220 HG2 ARG 126 2HG ARG 126 -1.010 -11.638 3.406 221 HG3 ARG 126 3HG ARG 126 -2.312 -10.487 3.713 222 HD2 ARG 126 2HD ARG 126 -1.620 -11.841 5.700 223 HD3 ARG 126 3HD ARG 126 -3.333 -11.946 5.296 224 HE ARG 126 HE ARG 126 -1.715 -14.033 4.144 225 HH11 ARG 126 1HH1 ARG 126 -3.582 -13.024 6.904 226 HH12 ARG 126 2HH1 ARG 126 -3.886 -14.640 7.453 227 HH21 ARG 126 1HH2 ARG 126 -2.108 -16.164 4.856 228 HH22 ARG 126 2HH2 ARG 126 -3.046 -16.425 6.288 Start of MODEL 15 1 H1 CYS 93 H CYS 93 1.737 -0.061 0.880 2 HA CYS 93 HA CYS 93 2.353 1.022 -1.408 3 HB2 CYS 93 2HB CYS 93 3.625 -0.830 -0.021 4 HB3 CYS 93 3HB CYS 93 3.063 -1.881 -1.317 5 H VAL 94 H VAL 94 0.827 -2.203 -1.420 6 HA VAL 94 HA VAL 94 -0.106 -1.646 -4.160 7 HB VAL 94 HB VAL 94 1.436 -3.735 -3.442 8 HG11 VAL 94 1HG1 VAL 94 0.238 -5.689 -2.996 9 HG12 VAL 94 2HG1 VAL 94 -0.517 -4.483 -1.951 10 HG13 VAL 94 3HG1 VAL 94 -1.301 -4.962 -3.457 11 HG21 VAL 94 3HG2 VAL 94 0.147 -4.912 -5.445 12 HG22 VAL 94 1HG2 VAL 94 -0.569 -3.307 -5.587 13 HG23 VAL 94 2HG2 VAL 94 1.180 -3.505 -5.695 14 H ALA 95 H ALA 95 -2.162 -2.867 -4.718 15 HA ALA 95 HA ALA 95 -4.233 -2.023 -2.996 16 HB1 ALA 95 1HB ALA 95 -4.054 -3.494 -5.551 17 HB2 ALA 95 2HB ALA 95 -5.531 -3.718 -4.613 18 HB3 ALA 95 3HB ALA 95 -5.038 -2.099 -5.109 19 H THR 96 H THR 96 -3.996 -5.362 -4.145 20 HA THR 96 HA THR 96 -3.550 -6.619 -1.692 21 HB THR 96 HB THR 96 -6.196 -7.442 -1.822 22 HG1 THR 96 HG1 THR 96 -7.382 -5.775 -2.364 23 HG21 THR 96 3HG2 THR 96 -4.507 -6.732 0.105 24 HG22 THR 96 1HG2 THR 96 -6.246 -6.822 0.377 25 HG23 THR 96 2HG2 THR 96 -5.481 -5.263 0.069 26 H ARG 97 H ARG 97 -2.839 -8.563 -2.251 27 HA ARG 97 HA ARG 97 -2.389 -10.409 -3.515 28 HB2 ARG 97 2HB ARG 97 -4.710 -10.832 -2.504 29 HB3 ARG 97 3HB ARG 97 -5.340 -10.470 -4.105 30 HG2 ARG 97 2HG ARG 97 -3.387 -12.305 -4.651 31 HG3 ARG 97 3HG ARG 97 -4.023 -12.869 -3.105 32 HD2 ARG 97 2HD ARG 97 -5.207 -13.875 -5.001 33 HD3 ARG 97 3HD ARG 97 -6.276 -12.882 -4.011 34 HE ARG 97 HE ARG 97 -5.302 -11.275 -6.062 35 HH11 ARG 97 1HH1 ARG 97 -7.299 -14.101 -5.683 36 HH12 ARG 97 2HH1 ARG 97 -8.246 -13.782 -7.098 37 HH21 ARG 97 1HH2 ARG 97 -6.541 -10.844 -7.928 38 HH22 ARG 97 2HH2 ARG 97 -7.814 -11.929 -8.375 39 H ASN 98 H ASN 98 -2.088 -7.972 -4.914 40 HA ASN 98 HA ASN 98 -2.898 -8.765 -7.635 41 HB2 ASN 98 2HB ASN 98 -3.087 -6.223 -6.240 42 HB3 ASN 98 3HB ASN 98 -2.182 -6.070 -7.743 43 HD21 ASN 98 1HD2 ASN 98 -3.611 -5.072 -9.019 44 HD22 ASN 98 2HD2 ASN 98 -5.175 -5.686 -9.420 45 H SER 99 H SER 99 -0.454 -6.623 -6.163 46 HA SER 99 HA SER 99 1.741 -8.174 -7.111 47 HB2 SER 99 2HB SER 99 0.999 -7.152 -9.247 48 HB3 SER 99 3HB SER 99 1.223 -5.553 -8.537 49 HG SER 99 HG SER 99 3.065 -7.256 -9.586 50 H CYS 100 H CYS 100 1.906 -7.794 -4.742 51 HA CYS 100 HA CYS 100 2.217 -5.591 -3.297 52 HB2 CYS 100 2HB CYS 100 3.635 -8.163 -3.330 53 HB3 CYS 100 3HB CYS 100 4.528 -6.866 -2.543 54 H LYS 101 H LYS 101 4.735 -6.768 -5.513 55 HA LYS 101 HA LYS 101 5.735 -4.020 -5.722 56 HB2 LYS 101 2HB LYS 101 7.993 -4.628 -5.403 57 HB3 LYS 101 3HB LYS 101 7.116 -5.415 -4.098 58 HG2 LYS 101 2HG LYS 101 8.218 -7.252 -4.701 59 HG3 LYS 101 3HG LYS 101 7.086 -7.327 -6.054 60 HD2 LYS 101 2HD LYS 101 9.319 -7.538 -6.913 61 HD3 LYS 101 3HD LYS 101 8.684 -5.960 -7.386 62 HE2 LYS 101 2HE LYS 101 11.040 -5.913 -6.575 63 HE3 LYS 101 3HE LYS 101 9.945 -4.866 -5.673 64 HZ1 LYS 101 3HZ LYS 101 11.573 -6.323 -4.373 65 HZ2 LYS 101 1HZ LYS 101 10.530 -7.604 -4.741 66 HZ3 LYS 101 2HZ LYS 101 9.964 -6.280 -3.854 67 HA PRO 102 HA PRO 102 5.763 -4.820 -10.043 68 HB2 PRO 102 2HB PRO 102 7.690 -3.083 -10.844 69 HB3 PRO 102 3HB PRO 102 6.084 -2.562 -10.323 70 HG2 PRO 102 2HG PRO 102 8.653 -2.604 -8.786 71 HG3 PRO 102 3HG PRO 102 7.404 -1.346 -8.844 72 HD2 PRO 102 2HD PRO 102 7.599 -3.112 -6.801 73 HD3 PRO 102 3HD PRO 102 6.044 -2.450 -7.346 74 H ALA 103 H ALA 103 6.801 -6.993 -9.226 75 HA ALA 103 HA ALA 103 8.614 -7.903 -11.033 76 HB1 ALA 103 1HB ALA 103 9.941 -6.363 -8.936 77 HB2 ALA 103 2HB ALA 103 10.609 -7.980 -9.162 78 HB3 ALA 103 3HB ALA 103 10.527 -6.861 -10.523 79 H ALA 104 H ALA 104 7.378 -8.038 -7.800 80 HA ALA 104 HA ALA 104 6.904 -10.831 -7.956 81 HB1 ALA 104 1HB ALA 104 8.803 -10.233 -5.742 82 HB2 ALA 104 2HB ALA 104 8.472 -11.757 -6.566 83 HB3 ALA 104 3HB ALA 104 9.442 -10.517 -7.361 84 H ALA 105 H ALA 105 7.156 -11.115 -4.991 85 HA ALA 105 HA ALA 105 4.834 -9.458 -4.246 86 HB1 ALA 105 1HB ALA 105 5.404 -12.035 -2.864 87 HB2 ALA 105 2HB ALA 105 3.864 -11.222 -3.148 88 HB3 ALA 105 3HB ALA 105 4.672 -12.067 -4.469 89 H ALA 106 H ALA 106 5.997 -7.781 -3.314 90 HA ALA 106 HA ALA 106 7.013 -8.342 -0.654 91 HB1 ALA 106 1HB ALA 106 8.798 -6.657 -2.337 92 HB2 ALA 106 2HB ALA 106 9.175 -7.641 -0.922 93 HB3 ALA 106 3HB ALA 106 8.902 -8.412 -2.484 94 H CYS 107 H CYS 107 5.041 -7.171 -0.187 95 HA CYS 107 HA CYS 107 4.432 -4.598 -1.033 96 HB2 CYS 107 2HB CYS 107 3.886 -5.887 1.649 97 HB3 CYS 107 3HB CYS 107 3.118 -4.413 1.070 98 H CYS 108 H CYS 108 4.476 -2.601 0.349 99 HA CYS 108 HA CYS 108 7.039 -2.377 1.785 100 HB2 CYS 108 2HB CYS 108 6.101 0.095 0.534 101 HB3 CYS 108 3HB CYS 108 7.702 -0.637 0.518 102 H ASP 109 H ASP 109 3.670 -1.709 1.686 103 HA ASP 109 HA ASP 109 3.344 0.425 3.388 104 HB2 ASP 109 2HB ASP 109 1.672 -1.438 2.249 105 HB3 ASP 109 3HB ASP 109 1.500 -1.781 3.968 106 HA PRO 110 HA PRO 110 5.219 -0.955 7.159 107 HB2 PRO 110 2HB PRO 110 4.380 1.111 8.708 108 HB3 PRO 110 3HB PRO 110 5.698 1.259 7.540 109 HG2 PRO 110 2HG PRO 110 2.827 2.062 7.268 110 HG3 PRO 110 3HG PRO 110 4.286 2.941 6.774 111 HD2 PRO 110 2HD PRO 110 2.766 1.540 5.025 112 HD3 PRO 110 3HD PRO 110 4.524 1.710 4.839 113 H ALA 111 H ALA 111 1.896 0.336 7.318 114 HA ALA 111 HA ALA 111 1.206 -1.101 9.669 115 HB1 ALA 111 1HB ALA 111 -0.662 0.053 7.604 116 HB2 ALA 111 2HB ALA 111 -1.038 -0.336 9.283 117 HB3 ALA 111 3HB ALA 111 0.079 0.977 8.911 118 H ALA 112 H ALA 112 1.078 -1.825 6.259 119 HA ALA 112 HA ALA 112 -0.487 -4.247 6.729 120 HB1 ALA 112 1HB ALA 112 0.577 -3.562 4.038 121 HB2 ALA 112 2HB ALA 112 -0.969 -4.276 4.497 122 HB3 ALA 112 3HB ALA 112 -0.695 -2.548 4.719 123 H SER 113 H SER 113 0.316 -6.206 5.387 124 HA SER 113 HA SER 113 3.125 -6.535 5.049 125 HB2 SER 113 2HB SER 113 1.879 -7.336 7.625 126 HB3 SER 113 3HB SER 113 3.005 -8.482 6.899 127 HG SER 113 HG SER 113 4.484 -6.641 6.750 128 H CYS 114 H CYS 114 3.181 -7.805 3.329 129 HA CYS 114 HA CYS 114 1.064 -9.380 2.409 130 HB2 CYS 114 2HB CYS 114 4.016 -9.514 1.772 131 HB3 CYS 114 3HB CYS 114 2.778 -10.399 0.888 132 H TYR 115 H TYR 115 1.881 -11.842 1.743 133 HA TYR 115 HA TYR 115 2.605 -13.178 4.259 134 HB2 TYR 115 2HB TYR 115 0.190 -13.305 4.098 135 HB3 TYR 115 3HB TYR 115 0.295 -13.899 2.444 136 HD1 TYR 115 HD1 TYR 115 1.145 -16.189 2.007 137 HD2 TYR 115 HD2 TYR 115 0.455 -14.773 5.960 138 HE1 TYR 115 HE1 TYR 115 1.181 -18.505 2.837 139 HE2 TYR 115 HE2 TYR 115 0.490 -17.084 6.800 140 HH TYR 115 HH TYR 115 0.237 -19.314 6.065 141 H CYS 116 H CYS 116 4.367 -14.342 3.924 142 HA CYS 116 HA CYS 116 5.283 -15.047 1.318 143 HB2 CYS 116 2HB CYS 116 6.283 -16.040 3.995 144 HB3 CYS 116 3HB CYS 116 7.149 -16.103 2.464 145 H ARG 117 H ARG 117 4.657 -16.718 0.138 146 HA ARG 117 HA ARG 117 3.398 -19.009 1.481 147 HB2 ARG 117 2HB ARG 117 3.018 -19.265 -1.281 148 HB3 ARG 117 3HB ARG 117 1.830 -18.757 -0.087 149 HG2 ARG 117 2HG ARG 117 1.756 -17.062 -1.656 150 HG3 ARG 117 3HG ARG 117 2.828 -16.405 -0.418 151 HD2 ARG 117 2HD ARG 117 4.078 -15.943 -2.266 152 HD3 ARG 117 3HD ARG 117 4.671 -17.568 -1.921 153 HE ARG 117 HE ARG 117 3.799 -18.228 -3.916 154 HH11 ARG 117 1HH1 ARG 117 2.119 -15.360 -2.880 155 HH12 ARG 117 2HH1 ARG 117 1.169 -15.238 -4.324 156 HH21 ARG 117 1HH2 ARG 117 2.554 -18.077 -5.821 157 HH22 ARG 117 2HH2 ARG 117 1.416 -16.784 -5.996 158 H PHE 118 H PHE 118 6.001 -18.066 -0.644 159 HA PHE 118 HA PHE 118 7.986 -19.192 -1.008 160 HB2 PHE 118 2HB PHE 118 7.121 -20.655 1.029 161 HB3 PHE 118 3HB PHE 118 6.835 -21.837 -0.244 162 HD1 PHE 118 HD1 PHE 118 9.503 -19.545 0.990 163 HD2 PHE 118 HD2 PHE 118 8.533 -23.279 -0.809 164 HE1 PHE 118 HE1 PHE 118 11.875 -20.196 1.070 165 HE2 PHE 118 HE2 PHE 118 10.903 -23.935 -0.732 166 HZ PHE 118 HZ PHE 118 12.577 -22.394 0.209 167 H PHE 119 H PHE 119 4.906 -20.619 -1.889 168 HA PHE 119 HA PHE 119 5.526 -22.337 -3.903 169 HB2 PHE 119 2HB PHE 119 3.216 -21.319 -3.025 170 HB3 PHE 119 3HB PHE 119 3.365 -20.384 -4.509 171 HD1 PHE 119 HD1 PHE 119 3.259 -21.461 -6.677 172 HD2 PHE 119 HD2 PHE 119 2.848 -23.699 -3.080 173 HE1 PHE 119 HE1 PHE 119 2.363 -23.358 -7.963 174 HE2 PHE 119 HE2 PHE 119 1.953 -25.600 -4.360 175 HZ PHE 119 HZ PHE 119 1.710 -25.431 -6.805 176 H ARG 120 H ARG 120 5.581 -18.819 -4.042 177 HA ARG 120 HA ARG 120 6.745 -19.000 -6.744 178 HB2 ARG 120 2HB ARG 120 5.724 -17.018 -7.351 179 HB3 ARG 120 3HB ARG 120 4.507 -17.724 -6.296 180 HG2 ARG 120 2HG ARG 120 4.518 -15.696 -5.344 181 HG3 ARG 120 3HG ARG 120 5.945 -16.308 -4.505 182 HD2 ARG 120 2HD ARG 120 7.253 -14.810 -5.502 183 HD3 ARG 120 3HD ARG 120 6.653 -15.270 -7.095 184 HE ARG 120 HE ARG 120 5.940 -12.957 -5.622 185 HH11 ARG 120 1HH1 ARG 120 4.629 -15.372 -7.760 186 HH12 ARG 120 2HH1 ARG 120 3.388 -14.335 -8.382 187 HH21 ARG 120 1HH2 ARG 120 4.310 -11.582 -6.434 188 HH22 ARG 120 2HH2 ARG 120 3.208 -12.180 -7.628 189 H SER 121 H SER 121 7.481 -18.467 -3.561 190 HA SER 121 HA SER 121 9.447 -17.847 -2.566 191 HB2 SER 121 2HB SER 121 10.549 -16.715 -5.107 192 HB3 SER 121 3HB SER 121 11.380 -17.575 -3.811 193 HG SER 121 HG SER 121 11.234 -18.980 -5.507 194 H ALA 122 H ALA 122 7.433 -16.246 -2.145 195 HA ALA 122 HA ALA 122 8.570 -13.738 -1.615 196 HB1 ALA 122 1HB ALA 122 6.481 -13.476 -3.746 197 HB2 ALA 122 2HB ALA 122 7.653 -12.284 -3.182 198 HB3 ALA 122 3HB ALA 122 8.187 -13.650 -4.161 199 H CYS 123 H CYS 123 6.644 -12.068 -1.164 200 HA CYS 123 HA CYS 123 4.532 -13.581 0.229 201 HB2 CYS 123 2HB CYS 123 5.563 -10.924 1.191 202 HB3 CYS 123 3HB CYS 123 4.661 -12.144 2.085 203 H TYR 124 H TYR 124 2.630 -13.237 -0.693 204 HA TYR 124 HA TYR 124 2.151 -10.830 -2.243 205 HB2 TYR 124 2HB TYR 124 0.169 -11.922 -3.035 206 HB3 TYR 124 3HB TYR 124 1.466 -13.111 -3.039 207 HD1 TYR 124 HD2 TYR 124 1.578 -14.770 -1.119 208 HD2 TYR 124 HD1 TYR 124 -1.817 -12.308 -1.839 209 HE1 TYR 124 HE2 TYR 124 0.199 -16.284 0.243 210 HE2 TYR 124 HE1 TYR 124 -3.205 -13.815 -0.478 211 HH TYR 124 HH TYR 124 -1.824 -16.720 1.035 212 H CYS 125 H CYS 125 0.536 -9.325 -1.840 213 HA CYS 125 HA CYS 125 0.012 -8.766 0.893 214 HB2 CYS 125 2HB CYS 125 -0.550 -7.502 -1.709 215 HB3 CYS 125 3HB CYS 125 -1.728 -7.150 -0.449 216 H ARG 126 H ARG 126 -1.038 -10.735 1.561 217 HA ARG 126 HA ARG 126 -3.358 -11.820 0.543 218 HB2 ARG 126 2HB ARG 126 -3.819 -12.457 2.999 219 HB3 ARG 126 3HB ARG 126 -2.341 -13.046 2.250 220 HG2 ARG 126 2HG ARG 126 -1.000 -11.559 3.440 221 HG3 ARG 126 3HG ARG 126 -2.363 -10.516 3.850 222 HD2 ARG 126 2HD ARG 126 -1.390 -12.063 5.671 223 HD3 ARG 126 3HD ARG 126 -3.141 -11.963 5.489 224 HE ARG 126 HE ARG 126 -1.437 -14.217 4.722 225 HH11 ARG 126 1HH1 ARG 126 -4.606 -12.809 5.033 226 HH12 ARG 126 2HH1 ARG 126 -5.437 -14.318 4.848 227 HH21 ARG 126 1HH2 ARG 126 -2.520 -16.209 4.477 228 HH22 ARG 126 2HH2 ARG 126 -4.249 -16.252 4.533 Start of MODEL 16 1 H1 CYS 93 H CYS 93 1.846 -0.042 0.808 2 HA CYS 93 HA CYS 93 2.496 0.963 -1.485 3 HB2 CYS 93 2HB CYS 93 3.707 -0.922 -0.110 4 HB3 CYS 93 3HB CYS 93 3.064 -1.974 -1.367 5 H VAL 94 H VAL 94 0.823 -2.188 -1.488 6 HA VAL 94 HA VAL 94 -0.137 -1.563 -4.206 7 HB VAL 94 HB VAL 94 1.393 -3.699 -3.559 8 HG11 VAL 94 1HG1 VAL 94 -0.551 -4.477 -2.091 9 HG12 VAL 94 2HG1 VAL 94 -1.376 -4.857 -3.604 10 HG13 VAL 94 3HG1 VAL 94 0.148 -5.650 -3.206 11 HG21 VAL 94 3HG2 VAL 94 0.126 -4.780 -5.607 12 HG22 VAL 94 1HG2 VAL 94 -0.627 -3.187 -5.682 13 HG23 VAL 94 2HG2 VAL 94 1.126 -3.341 -5.803 14 H ALA 95 H ALA 95 -2.215 -2.769 -4.743 15 HA ALA 95 HA ALA 95 -4.238 -1.944 -2.951 16 HB1 ALA 95 1HB ALA 95 -4.307 -3.686 -5.404 17 HB2 ALA 95 2HB ALA 95 -5.753 -3.227 -4.503 18 HB3 ALA 95 3HB ALA 95 -4.756 -1.986 -5.262 19 H THR 96 H THR 96 -4.000 -5.260 -4.182 20 HA THR 96 HA THR 96 -3.527 -6.576 -1.773 21 HB THR 96 HB THR 96 -6.180 -7.383 -1.867 22 HG1 THR 96 HG1 THR 96 -6.349 -4.605 -1.579 23 HG21 THR 96 3HG2 THR 96 -6.178 -6.825 0.349 24 HG22 THR 96 1HG2 THR 96 -5.410 -5.263 0.068 25 HG23 THR 96 2HG2 THR 96 -4.444 -6.738 0.041 26 H ARG 97 H ARG 97 -2.896 -8.548 -2.345 27 HA ARG 97 HA ARG 97 -2.478 -10.367 -3.661 28 HB2 ARG 97 2HB ARG 97 -5.000 -10.529 -2.742 29 HB3 ARG 97 3HB ARG 97 -5.325 -10.548 -4.470 30 HG2 ARG 97 2HG ARG 97 -3.337 -12.404 -3.205 31 HG3 ARG 97 3HG ARG 97 -5.056 -12.789 -3.309 32 HD2 ARG 97 2HD ARG 97 -3.175 -12.233 -5.599 33 HD3 ARG 97 3HD ARG 97 -3.900 -13.784 -5.176 34 HE ARG 97 HE ARG 97 -5.168 -11.582 -6.561 35 HH11 ARG 97 1HH1 ARG 97 -5.591 -14.568 -4.822 36 HH12 ARG 97 2HH1 ARG 97 -7.159 -14.885 -5.487 37 HH21 ARG 97 1HH2 ARG 97 -7.232 -11.988 -7.444 38 HH22 ARG 97 2HH2 ARG 97 -8.091 -13.417 -6.979 39 H ASN 98 H ASN 98 -1.864 -8.124 -5.039 40 HA ASN 98 HA ASN 98 -2.718 -8.806 -7.769 41 HB2 ASN 98 2HB ASN 98 -3.184 -6.343 -6.385 42 HB3 ASN 98 3HB ASN 98 -2.063 -6.045 -7.710 43 HD21 ASN 98 1HD2 ASN 98 -2.761 -7.299 -9.779 44 HD22 ASN 98 2HD2 ASN 98 -4.420 -7.095 -10.217 45 H SER 99 H SER 99 -0.442 -6.470 -6.339 46 HA SER 99 HA SER 99 1.844 -7.965 -7.260 47 HB2 SER 99 2HB SER 99 1.356 -6.933 -9.355 48 HB3 SER 99 3HB SER 99 1.037 -5.376 -8.591 49 HG SER 99 HG SER 99 3.058 -4.993 -9.000 50 H CYS 100 H CYS 100 1.867 -7.730 -4.837 51 HA CYS 100 HA CYS 100 2.124 -5.587 -3.278 52 HB2 CYS 100 2HB CYS 100 3.371 -8.215 -3.304 53 HB3 CYS 100 3HB CYS 100 4.398 -7.011 -2.533 54 H LYS 101 H LYS 101 4.696 -6.714 -5.449 55 HA LYS 101 HA LYS 101 5.807 -4.001 -5.427 56 HB2 LYS 101 2HB LYS 101 8.034 -4.734 -5.100 57 HB3 LYS 101 3HB LYS 101 7.080 -5.540 -3.862 58 HG2 LYS 101 2HG LYS 101 8.087 -7.407 -4.529 59 HG3 LYS 101 3HG LYS 101 7.018 -7.338 -5.932 60 HD2 LYS 101 2HD LYS 101 9.291 -7.632 -6.682 61 HD3 LYS 101 3HD LYS 101 8.743 -6.013 -7.123 62 HE2 LYS 101 2HE LYS 101 10.414 -5.097 -5.983 63 HE3 LYS 101 3HE LYS 101 9.920 -5.943 -4.517 64 HZ1 LYS 101 3HZ LYS 101 11.929 -6.894 -4.753 65 HZ2 LYS 101 1HZ LYS 101 12.016 -6.597 -6.417 66 HZ3 LYS 101 2HZ LYS 101 11.121 -7.911 -5.838 67 HA PRO 102 HA PRO 102 5.964 -4.487 -9.791 68 HB2 PRO 102 2HB PRO 102 7.997 -2.793 -10.397 69 HB3 PRO 102 3HB PRO 102 6.398 -2.233 -9.893 70 HG2 PRO 102 2HG PRO 102 8.904 -2.509 -8.279 71 HG3 PRO 102 3HG PRO 102 7.717 -1.192 -8.285 72 HD2 PRO 102 2HD PRO 102 7.756 -3.108 -6.372 73 HD3 PRO 102 3HD PRO 102 6.254 -2.334 -6.919 74 H ALA 103 H ALA 103 6.895 -6.757 -9.045 75 HA ALA 103 HA ALA 103 8.730 -7.619 -10.872 76 HB1 ALA 103 1HB ALA 103 10.033 -6.287 -8.632 77 HB2 ALA 103 2HB ALA 103 10.624 -7.927 -8.906 78 HB3 ALA 103 3HB ALA 103 10.674 -6.742 -10.211 79 H ALA 104 H ALA 104 7.351 -7.935 -7.709 80 HA ALA 104 HA ALA 104 6.715 -10.663 -8.091 81 HB1 ALA 104 1HB ALA 104 8.136 -11.773 -6.583 82 HB2 ALA 104 2HB ALA 104 9.199 -10.761 -7.562 83 HB3 ALA 104 3HB ALA 104 8.761 -10.259 -5.929 84 H ALA 105 H ALA 105 7.039 -11.103 -5.090 85 HA ALA 105 HA ALA 105 4.724 -9.472 -4.272 86 HB1 ALA 105 1HB ALA 105 4.625 -12.100 -4.533 87 HB2 ALA 105 2HB ALA 105 5.315 -12.045 -2.910 88 HB3 ALA 105 3HB ALA 105 3.767 -11.265 -3.237 89 H ALA 106 H ALA 106 5.923 -7.801 -3.351 90 HA ALA 106 HA ALA 106 6.971 -8.398 -0.708 91 HB1 ALA 106 1HB ALA 106 8.695 -6.785 -2.564 92 HB2 ALA 106 2HB ALA 106 9.110 -7.486 -0.999 93 HB3 ALA 106 3HB ALA 106 8.878 -8.532 -2.399 94 H CYS 107 H CYS 107 4.938 -7.243 -0.295 95 HA CYS 107 HA CYS 107 4.338 -4.660 -1.063 96 HB2 CYS 107 2HB CYS 107 3.821 -5.954 1.623 97 HB3 CYS 107 3HB CYS 107 3.014 -4.510 1.019 98 H CYS 108 H CYS 108 4.374 -2.687 0.363 99 HA CYS 108 HA CYS 108 6.944 -2.472 1.786 100 HB2 CYS 108 2HB CYS 108 5.931 -0.024 0.486 101 HB3 CYS 108 3HB CYS 108 7.576 -0.641 0.605 102 H ASP 109 H ASP 109 3.577 -1.702 1.637 103 HA ASP 109 HA ASP 109 3.283 0.379 3.400 104 HB2 ASP 109 2HB ASP 109 1.575 -1.390 2.179 105 HB3 ASP 109 3HB ASP 109 1.369 -1.795 3.880 106 HA PRO 110 HA PRO 110 5.041 -1.146 7.169 107 HB2 PRO 110 2HB PRO 110 4.201 0.884 8.763 108 HB3 PRO 110 3HB PRO 110 5.546 1.047 7.629 109 HG2 PRO 110 2HG PRO 110 2.695 1.906 7.322 110 HG3 PRO 110 3HG PRO 110 4.178 2.775 6.886 111 HD2 PRO 110 2HD PRO 110 2.674 1.454 5.062 112 HD3 PRO 110 3HD PRO 110 4.438 1.601 4.919 113 H ALA 111 H ALA 111 1.741 0.207 7.316 114 HA ALA 111 HA ALA 111 0.970 -1.274 9.604 115 HB1 ALA 111 1HB ALA 111 -1.315 -0.565 9.038 116 HB2 ALA 111 2HB ALA 111 -0.169 0.776 8.989 117 HB3 ALA 111 3HB ALA 111 -0.730 0.040 7.488 118 H ALA 112 H ALA 112 0.846 -1.913 6.163 119 HA ALA 112 HA ALA 112 -0.710 -4.347 6.567 120 HB1 ALA 112 1HB ALA 112 -1.189 -4.304 4.347 121 HB2 ALA 112 2HB ALA 112 -0.829 -2.592 4.573 122 HB3 ALA 112 3HB ALA 112 0.395 -3.669 3.902 123 H SER 113 H SER 113 0.061 -6.355 5.455 124 HA SER 113 HA SER 113 2.899 -6.675 5.091 125 HB2 SER 113 2HB SER 113 1.637 -8.267 7.323 126 HB3 SER 113 3HB SER 113 3.346 -8.149 6.903 127 HG SER 113 HG SER 113 3.442 -6.165 7.778 128 H CYS 114 H CYS 114 2.996 -7.910 3.348 129 HA CYS 114 HA CYS 114 0.896 -9.455 2.340 130 HB2 CYS 114 2HB CYS 114 3.864 -9.583 1.781 131 HB3 CYS 114 3HB CYS 114 2.653 -10.459 0.851 132 H TYR 115 H TYR 115 1.755 -11.908 1.643 133 HA TYR 115 HA TYR 115 2.399 -13.296 4.151 134 HB2 TYR 115 2HB TYR 115 -0.018 -13.397 3.927 135 HB3 TYR 115 3HB TYR 115 0.129 -13.983 2.274 136 HD1 TYR 115 HD2 TYR 115 1.041 -16.270 1.859 137 HD2 TYR 115 HD1 TYR 115 0.132 -14.880 5.776 138 HE1 TYR 115 HE2 TYR 115 1.044 -18.590 2.677 139 HE2 TYR 115 HE1 TYR 115 0.133 -17.196 6.605 140 HH TYR 115 HH TYR 115 -0.252 -19.743 4.947 141 H CYS 116 H CYS 116 4.167 -14.454 3.827 142 HA CYS 116 HA CYS 116 5.122 -15.124 1.225 143 HB2 CYS 116 2HB CYS 116 6.083 -16.153 3.902 144 HB3 CYS 116 3HB CYS 116 6.972 -16.193 2.383 145 H ARG 117 H ARG 117 4.506 -16.777 0.014 146 HA ARG 117 HA ARG 117 3.227 -19.083 1.309 147 HB2 ARG 117 2HB ARG 117 2.893 -19.307 -1.461 148 HB3 ARG 117 3HB ARG 117 1.686 -18.811 -0.282 149 HG2 ARG 117 2HG ARG 117 1.641 -17.097 -1.831 150 HG3 ARG 117 3HG ARG 117 2.696 -16.457 -0.569 151 HD2 ARG 117 2HD ARG 117 3.973 -15.978 -2.394 152 HD3 ARG 117 3HD ARG 117 4.558 -17.606 -2.057 153 HE ARG 117 HE ARG 117 3.711 -18.250 -4.069 154 HH11 ARG 117 1HH1 ARG 117 2.040 -15.374 -3.041 155 HH12 ARG 117 2HH1 ARG 117 1.117 -15.231 -4.500 156 HH21 ARG 117 1HH2 ARG 117 2.501 -18.073 -5.994 157 HH22 ARG 117 2HH2 ARG 117 1.380 -16.767 -6.179 158 H PHE 118 H PHE 118 5.865 -18.120 -0.764 159 HA PHE 118 HA PHE 118 7.855 -19.244 -1.108 160 HB2 PHE 118 2HB PHE 118 6.955 -20.728 0.900 161 HB3 PHE 118 3HB PHE 118 6.691 -21.896 -0.390 162 HD1 PHE 118 HD2 PHE 118 9.386 -19.499 0.586 163 HD2 PHE 118 HD1 PHE 118 8.351 -23.449 -0.614 164 HE1 PHE 118 HE2 PHE 118 11.755 -20.150 0.698 165 HE2 PHE 118 HE1 PHE 118 10.719 -24.107 -0.503 166 HZ PHE 118 HZ PHE 118 12.425 -22.457 0.153 167 H PHE 119 H PHE 119 4.789 -20.667 -2.050 168 HA PHE 119 HA PHE 119 5.438 -22.363 -4.071 169 HB2 PHE 119 2HB PHE 119 3.116 -21.365 -3.221 170 HB3 PHE 119 3HB PHE 119 3.288 -20.393 -4.679 171 HD1 PHE 119 HD1 PHE 119 3.131 -23.865 -3.418 172 HD2 PHE 119 HD2 PHE 119 2.837 -21.294 -6.797 173 HE1 PHE 119 HE1 PHE 119 2.258 -25.734 -4.760 174 HE2 PHE 119 HE2 PHE 119 1.962 -23.158 -8.144 175 HZ PHE 119 HZ PHE 119 1.671 -25.381 -7.126 176 H ARG 120 H ARG 120 5.493 -18.842 -4.179 177 HA ARG 120 HA ARG 120 6.704 -19.001 -6.862 178 HB2 ARG 120 2HB ARG 120 5.687 -17.020 -7.472 179 HB3 ARG 120 3HB ARG 120 4.459 -17.723 -6.429 180 HG2 ARG 120 2HG ARG 120 4.468 -15.704 -5.463 181 HG3 ARG 120 3HG ARG 120 5.899 -16.313 -4.627 182 HD2 ARG 120 2HD ARG 120 7.177 -14.777 -5.599 183 HD3 ARG 120 3HD ARG 120 6.639 -15.288 -7.198 184 HE ARG 120 HE ARG 120 5.811 -12.965 -5.789 185 HH11 ARG 120 1HH1 ARG 120 4.683 -15.431 -7.972 186 HH12 ARG 120 2HH1 ARG 120 3.455 -14.432 -8.675 187 HH21 ARG 120 1HH2 ARG 120 4.198 -11.639 -6.706 188 HH22 ARG 120 2HH2 ARG 120 3.180 -12.274 -7.954 189 H SER 121 H SER 121 7.383 -18.490 -3.661 190 HA SER 121 HA SER 121 9.332 -17.880 -2.626 191 HB2 SER 121 2HB SER 121 10.278 -18.463 -5.038 192 HB3 SER 121 3HB SER 121 10.507 -16.716 -5.113 193 HG SER 121 HG SER 121 12.150 -16.929 -3.834 194 H ALA 122 H ALA 122 7.326 -16.277 -2.218 195 HA ALA 122 HA ALA 122 8.459 -13.772 -1.670 196 HB1 ALA 122 1HB ALA 122 7.551 -12.312 -3.237 197 HB2 ALA 122 2HB ALA 122 8.096 -13.673 -4.217 198 HB3 ALA 122 3HB ALA 122 6.387 -13.503 -3.817 199 H CYS 123 H CYS 123 6.533 -12.104 -1.223 200 HA CYS 123 HA CYS 123 4.403 -13.619 0.139 201 HB2 CYS 123 2HB CYS 123 5.454 -10.983 1.140 202 HB3 CYS 123 3HB CYS 123 4.522 -12.197 2.011 203 H TYR 124 H TYR 124 2.523 -13.260 -0.822 204 HA TYR 124 HA TYR 124 2.070 -10.832 -2.341 205 HB2 TYR 124 2HB TYR 124 0.081 -11.900 -3.154 206 HB3 TYR 124 3HB TYR 124 1.370 -13.098 -3.163 207 HD1 TYR 124 HD1 TYR 124 1.456 -14.794 -1.286 208 HD2 TYR 124 HD2 TYR 124 -1.905 -12.269 -1.945 209 HE1 TYR 124 HE1 TYR 124 0.060 -16.312 0.055 210 HE2 TYR 124 HE2 TYR 124 -3.310 -13.779 -0.605 211 HH TYR 124 HH TYR 124 -2.124 -16.870 0.527 212 H CYS 125 H CYS 125 0.420 -9.341 -1.959 213 HA CYS 125 HA CYS 125 -0.103 -8.785 0.780 214 HB2 CYS 125 2HB CYS 125 -0.673 -7.512 -1.823 215 HB3 CYS 125 3HB CYS 125 -1.819 -7.144 -0.538 216 H ARG 126 H ARG 126 -1.154 -10.785 1.398 217 HA ARG 126 HA ARG 126 -3.499 -11.808 0.355 218 HB2 ARG 126 2HB ARG 126 -3.931 -12.582 2.759 219 HB3 ARG 126 3HB ARG 126 -2.434 -13.102 1.998 220 HG2 ARG 126 2HG ARG 126 -1.130 -11.835 3.366 221 HG3 ARG 126 3HG ARG 126 -2.375 -10.606 3.597 222 HD2 ARG 126 2HD ARG 126 -3.370 -11.738 5.306 223 HD3 ARG 126 3HD ARG 126 -2.914 -13.317 4.669 224 HE ARG 126 HE ARG 126 -0.546 -12.280 5.425 225 HH11 ARG 126 1HH1 ARG 126 -3.608 -12.609 7.048 226 HH12 ARG 126 2HH1 ARG 126 -2.905 -12.755 8.625 227 HH21 ARG 126 1HH2 ARG 126 0.392 -12.470 7.496 228 HH22 ARG 126 2HH2 ARG 126 -0.629 -12.674 8.878 Start of MODEL 17 1 H1 CYS 93 H CYS 93 1.914 0.076 0.878 2 HA CYS 93 HA CYS 93 2.463 1.066 -1.441 3 HB2 CYS 93 2HB CYS 93 3.751 -0.798 -0.079 4 HB3 CYS 93 3HB CYS 93 3.136 -1.845 -1.355 5 H VAL 94 H VAL 94 0.890 -2.135 -1.368 6 HA VAL 94 HA VAL 94 -0.168 -1.566 -4.062 7 HB VAL 94 HB VAL 94 1.444 -3.646 -3.445 8 HG11 VAL 94 1HG1 VAL 94 -1.284 -4.895 -3.386 9 HG12 VAL 94 2HG1 VAL 94 0.278 -5.630 -3.020 10 HG13 VAL 94 3HG1 VAL 94 -0.432 -4.462 -1.904 11 HG21 VAL 94 3HG2 VAL 94 -0.646 -3.200 -5.508 12 HG22 VAL 94 1HG2 VAL 94 1.103 -3.354 -5.681 13 HG23 VAL 94 2HG2 VAL 94 0.111 -4.791 -5.433 14 H ALA 95 H ALA 95 -2.227 -2.823 -4.529 15 HA ALA 95 HA ALA 95 -4.210 -2.058 -2.659 16 HB1 ALA 95 1HB ALA 95 -5.721 -3.429 -4.196 17 HB2 ALA 95 2HB ALA 95 -4.877 -2.051 -4.903 18 HB3 ALA 95 3HB ALA 95 -4.279 -3.686 -5.179 19 H THR 96 H THR 96 -3.980 -5.341 -3.965 20 HA THR 96 HA THR 96 -3.385 -6.698 -1.601 21 HB THR 96 HB THR 96 -6.023 -7.552 -1.611 22 HG1 THR 96 HG1 THR 96 -6.244 -4.786 -1.268 23 HG21 THR 96 3HG2 THR 96 -5.928 -7.059 0.609 24 HG22 THR 96 1HG2 THR 96 -5.265 -5.448 0.336 25 HG23 THR 96 2HG2 THR 96 -4.215 -6.862 0.236 26 H ARG 97 H ARG 97 -2.725 -8.635 -2.251 27 HA ARG 97 HA ARG 97 -2.338 -10.432 -3.600 28 HB2 ARG 97 2HB ARG 97 -4.683 -10.819 -2.562 29 HB3 ARG 97 3HB ARG 97 -5.286 -10.464 -4.176 30 HG2 ARG 97 2HG ARG 97 -3.325 -12.309 -4.673 31 HG3 ARG 97 3HG ARG 97 -4.002 -12.864 -3.140 32 HD2 ARG 97 2HD ARG 97 -5.138 -13.865 -5.076 33 HD3 ARG 97 3HD ARG 97 -6.227 -12.884 -4.096 34 HE ARG 97 HE ARG 97 -5.204 -11.268 -6.128 35 HH11 ARG 97 1HH1 ARG 97 -7.261 -14.052 -5.760 36 HH12 ARG 97 2HH1 ARG 97 -8.198 -13.710 -7.177 37 HH21 ARG 97 1HH2 ARG 97 -6.430 -10.807 -7.996 38 HH22 ARG 97 2HH2 ARG 97 -7.724 -11.865 -8.448 39 H ASN 98 H ASN 98 -2.021 -7.949 -4.898 40 HA ASN 98 HA ASN 98 -2.886 -8.621 -7.634 41 HB2 ASN 98 2HB ASN 98 -3.103 -6.148 -6.131 42 HB3 ASN 98 3HB ASN 98 -2.203 -5.910 -7.626 43 HD21 ASN 98 1HD2 ASN 98 -3.218 -6.604 -9.615 44 HD22 ASN 98 2HD2 ASN 98 -4.940 -6.552 -9.749 45 H SER 99 H SER 99 -0.449 -6.514 -6.100 46 HA SER 99 HA SER 99 1.752 -7.990 -7.146 47 HB2 SER 99 2HB SER 99 0.713 -5.661 -8.677 48 HB3 SER 99 3HB SER 99 2.463 -5.787 -8.498 49 HG SER 99 HG SER 99 2.378 -7.214 -10.023 50 H CYS 100 H CYS 100 1.921 -7.700 -4.756 51 HA CYS 100 HA CYS 100 2.239 -5.524 -3.253 52 HB2 CYS 100 2HB CYS 100 3.555 -8.135 -3.311 53 HB3 CYS 100 3HB CYS 100 4.536 -6.889 -2.547 54 H LYS 101 H LYS 101 4.721 -6.689 -5.510 55 HA LYS 101 HA LYS 101 5.791 -3.965 -5.636 56 HB2 LYS 101 2HB LYS 101 8.040 -4.638 -5.337 57 HB3 LYS 101 3HB LYS 101 7.138 -5.403 -4.035 58 HG2 LYS 101 2HG LYS 101 8.173 -7.276 -4.644 59 HG3 LYS 101 3HG LYS 101 7.056 -7.301 -6.011 60 HD2 LYS 101 2HD LYS 101 9.299 -7.581 -6.835 61 HD3 LYS 101 3HD LYS 101 8.711 -5.988 -7.318 62 HE2 LYS 101 2HE LYS 101 10.415 -5.010 -6.281 63 HE3 LYS 101 3HE LYS 101 9.976 -5.790 -4.763 64 HZ1 LYS 101 3HZ LYS 101 11.270 -7.710 -5.389 65 HZ2 LYS 101 1HZ LYS 101 12.241 -6.326 -5.464 66 HZ3 LYS 101 2HZ LYS 101 11.647 -7.020 -6.887 67 HA PRO 102 HA PRO 102 5.831 -4.666 -9.974 68 HB2 PRO 102 2HB PRO 102 7.804 -2.958 -10.723 69 HB3 PRO 102 3HB PRO 102 6.207 -2.411 -10.200 70 HG2 PRO 102 2HG PRO 102 8.764 -2.549 -8.649 71 HG3 PRO 102 3HG PRO 102 7.546 -1.261 -8.686 72 HD2 PRO 102 2HD PRO 102 7.686 -3.077 -6.683 73 HD3 PRO 102 3HD PRO 102 6.151 -2.366 -7.221 74 H ALA 103 H ALA 103 6.820 -6.880 -9.183 75 HA ALA 103 HA ALA 103 8.628 -7.784 -11.007 76 HB1 ALA 103 1HB ALA 103 10.595 -7.970 -9.117 77 HB2 ALA 103 2HB ALA 103 10.557 -6.803 -10.439 78 HB3 ALA 103 3HB ALA 103 9.964 -6.346 -8.842 79 H ALA 104 H ALA 104 7.349 -7.981 -7.792 80 HA ALA 104 HA ALA 104 6.776 -10.743 -8.033 81 HB1 ALA 104 1HB ALA 104 8.832 -10.184 -5.917 82 HB2 ALA 104 2HB ALA 104 8.260 -11.741 -6.517 83 HB3 ALA 104 3HB ALA 104 9.278 -10.723 -7.537 84 H ALA 105 H ALA 105 7.087 -11.105 -5.060 85 HA ALA 105 HA ALA 105 4.794 -9.436 -4.255 86 HB1 ALA 105 1HB ALA 105 5.402 -12.019 -2.897 87 HB2 ALA 105 2HB ALA 105 3.856 -11.203 -3.127 88 HB3 ALA 105 3HB ALA 105 4.620 -12.040 -4.477 89 H ALA 106 H ALA 106 6.015 -7.759 -3.374 90 HA ALA 106 HA ALA 106 7.074 -8.318 -0.727 91 HB1 ALA 106 1HB ALA 106 8.785 -6.788 -2.671 92 HB2 ALA 106 2HB ALA 106 9.209 -7.357 -1.056 93 HB3 ALA 106 3HB ALA 106 8.985 -8.514 -2.368 94 H CYS 107 H CYS 107 5.102 -7.142 -0.239 95 HA CYS 107 HA CYS 107 4.482 -4.572 -1.068 96 HB2 CYS 107 2HB CYS 107 4.005 -5.837 1.638 97 HB3 CYS 107 3HB CYS 107 3.213 -4.377 1.056 98 H CYS 108 H CYS 108 4.558 -2.572 0.313 99 HA CYS 108 HA CYS 108 7.159 -2.342 1.678 100 HB2 CYS 108 2HB CYS 108 6.164 0.115 0.422 101 HB3 CYS 108 3HB CYS 108 7.781 -0.581 0.411 102 H ASP 109 H ASP 109 3.787 -1.644 1.646 103 HA ASP 109 HA ASP 109 3.512 0.485 3.358 104 HB2 ASP 109 2HB ASP 109 1.791 -1.307 2.238 105 HB3 ASP 109 3HB ASP 109 1.687 -1.758 3.938 106 HA PRO 110 HA PRO 110 5.468 -0.905 7.085 107 HB2 PRO 110 2HB PRO 110 4.682 1.171 8.649 108 HB3 PRO 110 3HB PRO 110 5.974 1.307 7.450 109 HG2 PRO 110 2HG PRO 110 3.104 2.133 7.244 110 HG3 PRO 110 3HG PRO 110 4.558 2.998 6.714 111 HD2 PRO 110 2HD PRO 110 2.986 1.607 5.004 112 HD3 PRO 110 3HD PRO 110 4.740 1.763 4.777 113 H ALA 111 H ALA 111 2.146 0.379 7.276 114 HA ALA 111 HA ALA 111 1.501 -1.033 9.661 115 HB1 ALA 111 1HB ALA 111 -0.350 0.184 7.615 116 HB2 ALA 111 2HB ALA 111 -0.780 -0.300 9.256 117 HB3 ALA 111 3HB ALA 111 0.351 1.028 8.996 118 H ALA 112 H ALA 112 1.252 -1.749 6.248 119 HA ALA 112 HA ALA 112 -0.304 -4.162 6.758 120 HB1 ALA 112 1HB ALA 112 0.727 -3.509 4.048 121 HB2 ALA 112 2HB ALA 112 -0.824 -4.194 4.536 122 HB3 ALA 112 3HB ALA 112 -0.518 -2.469 4.741 123 H SER 113 H SER 113 0.451 -6.149 5.454 124 HA SER 113 HA SER 113 3.257 -6.505 5.071 125 HB2 SER 113 2HB SER 113 2.025 -7.286 7.659 126 HB3 SER 113 3HB SER 113 3.132 -8.446 6.926 127 HG SER 113 HG SER 113 4.356 -7.098 8.179 128 H CYS 114 H CYS 114 3.265 -7.762 3.339 129 HA CYS 114 HA CYS 114 1.125 -9.322 2.454 130 HB2 CYS 114 2HB CYS 114 4.067 -9.490 1.773 131 HB3 CYS 114 3HB CYS 114 2.802 -10.351 0.902 132 H TYR 115 H TYR 115 1.902 -11.791 1.776 133 HA TYR 115 HA TYR 115 2.647 -13.133 4.284 134 HB2 TYR 115 2HB TYR 115 0.228 -13.244 4.135 135 HB3 TYR 115 3HB TYR 115 0.323 -13.845 2.483 136 HD1 TYR 115 HD2 TYR 115 1.160 -16.141 2.052 137 HD2 TYR 115 HD1 TYR 115 0.497 -14.706 6.002 138 HE1 TYR 115 HE2 TYR 115 1.188 -18.453 2.890 139 HE2 TYR 115 HE1 TYR 115 0.524 -17.014 6.852 140 HH TYR 115 HH TYR 115 1.031 -19.158 6.341 141 H CYS 116 H CYS 116 4.397 -14.313 3.939 142 HA CYS 116 HA CYS 116 5.293 -15.018 1.326 143 HB2 CYS 116 2HB CYS 116 6.298 -16.003 4.004 144 HB3 CYS 116 3HB CYS 116 7.153 -16.105 2.468 145 H ARG 117 H ARG 117 4.623 -16.672 0.146 146 HA ARG 117 HA ARG 117 3.371 -18.962 1.495 147 HB2 ARG 117 2HB ARG 117 2.956 -19.207 -1.261 148 HB3 ARG 117 3HB ARG 117 1.786 -18.692 -0.053 149 HG2 ARG 117 2HG ARG 117 1.711 -16.995 -1.623 150 HG3 ARG 117 3HG ARG 117 2.795 -16.348 -0.390 151 HD2 ARG 117 2HD ARG 117 4.014 -15.885 -2.266 152 HD3 ARG 117 3HD ARG 117 4.632 -17.493 -1.893 153 HE ARG 117 HE ARG 117 3.770 -18.199 -3.876 154 HH11 ARG 117 1HH1 ARG 117 2.028 -15.357 -2.874 155 HH12 ARG 117 2HH1 ARG 117 1.066 -15.279 -4.313 156 HH21 ARG 117 1HH2 ARG 117 2.510 -18.108 -5.776 157 HH22 ARG 117 2HH2 ARG 117 1.341 -16.845 -5.962 158 H PHE 118 H PHE 118 5.985 -18.021 -0.601 159 HA PHE 118 HA PHE 118 7.943 -19.155 -1.028 160 HB2 PHE 118 2HB PHE 118 6.940 -20.680 1.002 161 HB3 PHE 118 3HB PHE 118 6.974 -21.844 -0.318 162 HD1 PHE 118 HD2 PHE 118 9.348 -21.151 -1.801 163 HD2 PHE 118 HD1 PHE 118 8.698 -21.157 2.406 164 HE1 PHE 118 HE2 PHE 118 11.756 -21.499 -1.433 165 HE2 PHE 118 HE1 PHE 118 11.105 -21.503 2.781 166 HZ PHE 118 HZ PHE 118 12.637 -21.676 0.860 167 H PHE 119 H PHE 119 4.848 -20.599 -1.829 168 HA PHE 119 HA PHE 119 5.428 -22.341 -3.832 169 HB2 PHE 119 2HB PHE 119 3.136 -21.333 -2.925 170 HB3 PHE 119 3HB PHE 119 3.256 -20.382 -4.402 171 HD1 PHE 119 HD1 PHE 119 3.537 -21.631 -6.599 172 HD2 PHE 119 HD2 PHE 119 2.343 -23.520 -2.976 173 HE1 PHE 119 HE1 PHE 119 2.620 -23.516 -7.888 174 HE2 PHE 119 HE2 PHE 119 1.425 -25.408 -4.259 175 HZ PHE 119 HZ PHE 119 1.563 -25.408 -6.718 176 H ARG 120 H ARG 120 5.535 -18.832 -3.996 177 HA ARG 120 HA ARG 120 6.627 -19.046 -6.725 178 HB2 ARG 120 2HB ARG 120 5.602 -17.069 -7.337 179 HB3 ARG 120 3HB ARG 120 4.404 -17.753 -6.247 180 HG2 ARG 120 2HG ARG 120 4.445 -15.722 -5.310 181 HG3 ARG 120 3HG ARG 120 5.902 -16.318 -4.512 182 HD2 ARG 120 2HD ARG 120 7.152 -14.804 -5.552 183 HD3 ARG 120 3HD ARG 120 6.551 -15.328 -7.124 184 HE ARG 120 HE ARG 120 5.785 -12.990 -5.703 185 HH11 ARG 120 1HH1 ARG 120 4.572 -15.467 -7.827 186 HH12 ARG 120 2HH1 ARG 120 3.323 -14.468 -8.493 187 HH21 ARG 120 1HH2 ARG 120 4.145 -11.664 -6.572 188 HH22 ARG 120 2HH2 ARG 120 3.082 -12.304 -7.779 189 H SER 121 H SER 121 7.424 -18.478 -3.562 190 HA SER 121 HA SER 121 9.414 -17.861 -2.614 191 HB2 SER 121 2HB SER 121 10.465 -16.751 -5.187 192 HB3 SER 121 3HB SER 121 11.322 -17.600 -3.901 193 HG SER 121 HG SER 121 10.934 -18.802 -5.914 194 H ALA 122 H ALA 122 7.409 -16.250 -2.170 195 HA ALA 122 HA ALA 122 8.562 -13.742 -1.677 196 HB1 ALA 122 1HB ALA 122 8.128 -13.681 -4.220 197 HB2 ALA 122 2HB ALA 122 6.435 -13.477 -3.767 198 HB3 ALA 122 3HB ALA 122 7.637 -12.298 -3.241 199 H CYS 123 H CYS 123 6.638 -12.062 -1.221 200 HA CYS 123 HA CYS 123 4.546 -13.558 0.221 201 HB2 CYS 123 2HB CYS 123 5.614 -10.905 1.154 202 HB3 CYS 123 3HB CYS 123 4.709 -12.109 2.067 203 H TYR 124 H TYR 124 2.639 -13.213 -0.691 204 HA TYR 124 HA TYR 124 2.148 -10.808 -2.238 205 HB2 TYR 124 2HB TYR 124 0.151 -11.892 -2.999 206 HB3 TYR 124 3HB TYR 124 1.436 -13.095 -3.006 207 HD1 TYR 124 HD1 TYR 124 1.554 -14.740 -1.076 208 HD2 TYR 124 HD2 TYR 124 -1.823 -12.246 -1.773 209 HE1 TYR 124 HE1 TYR 124 0.176 -16.227 0.315 210 HE2 TYR 124 HE2 TYR 124 -3.210 -13.726 -0.382 211 HH TYR 124 HH TYR 124 -2.578 -16.696 0.338 212 H CYS 125 H CYS 125 0.576 -9.276 -1.807 213 HA CYS 125 HA CYS 125 0.084 -8.715 0.930 214 HB2 CYS 125 2HB CYS 125 -0.472 -7.436 -1.663 215 HB3 CYS 125 3HB CYS 125 -1.648 -7.076 -0.403 216 H ARG 126 H ARG 126 -1.008 -10.607 1.668 217 HA ARG 126 HA ARG 126 -3.370 -11.650 0.640 218 HB2 ARG 126 2HB ARG 126 -3.779 -12.367 3.072 219 HB3 ARG 126 3HB ARG 126 -2.313 -12.938 2.286 220 HG2 ARG 126 2HG ARG 126 -0.951 -11.494 3.507 221 HG3 ARG 126 3HG ARG 126 -2.306 -10.462 3.970 222 HD2 ARG 126 2HD ARG 126 -1.303 -12.090 5.716 223 HD3 ARG 126 3HD ARG 126 -3.056 -11.949 5.579 224 HE ARG 126 HE ARG 126 -1.415 -14.205 4.690 225 HH11 ARG 126 1HH1 ARG 126 -4.547 -12.750 5.126 226 HH12 ARG 126 2HH1 ARG 126 -5.412 -14.235 4.906 227 HH21 ARG 126 1HH2 ARG 126 -2.542 -16.166 4.398 228 HH22 ARG 126 2HH2 ARG 126 -4.271 -16.178 4.492 Start of MODEL 18 1 H1 CYS 93 H CYS 93 1.733 0.029 0.905 2 HA CYS 93 HA CYS 93 2.253 1.118 -1.406 3 HB2 CYS 93 2HB CYS 93 3.567 -0.755 -0.074 4 HB3 CYS 93 3HB CYS 93 2.961 -1.784 -1.368 5 H VAL 94 H VAL 94 0.716 -2.102 -1.358 6 HA VAL 94 HA VAL 94 -0.349 -1.526 -4.046 7 HB VAL 94 HB VAL 94 1.245 -3.617 -3.413 8 HG11 VAL 94 1HG1 VAL 94 0.048 -5.595 -3.010 9 HG12 VAL 94 2HG1 VAL 94 -0.627 -4.423 -1.876 10 HG13 VAL 94 3HG1 VAL 94 -1.503 -4.828 -3.353 11 HG21 VAL 94 3HG2 VAL 94 -0.087 -4.756 -5.405 12 HG22 VAL 94 1HG2 VAL 94 -0.827 -3.157 -5.489 13 HG23 VAL 94 2HG2 VAL 94 0.921 -3.330 -5.652 14 H ALA 95 H ALA 95 -2.418 -2.756 -4.515 15 HA ALA 95 HA ALA 95 -4.401 -1.969 -2.659 16 HB1 ALA 95 1HB ALA 95 -4.330 -3.262 -5.292 17 HB2 ALA 95 2HB ALA 95 -5.718 -3.692 -4.292 18 HB3 ALA 95 3HB ALA 95 -5.395 -2.001 -4.671 19 H THR 96 H THR 96 -4.179 -5.269 -3.927 20 HA THR 96 HA THR 96 -3.611 -6.595 -1.536 21 HB THR 96 HB THR 96 -6.249 -7.452 -1.579 22 HG1 THR 96 HG1 THR 96 -7.453 -5.802 -2.104 23 HG21 THR 96 3HG2 THR 96 -4.488 -6.778 0.296 24 HG22 THR 96 1HG2 THR 96 -6.213 -6.902 0.639 25 HG23 THR 96 2HG2 THR 96 -5.483 -5.323 0.348 26 H ARG 97 H ARG 97 -2.922 -8.527 -2.164 27 HA ARG 97 HA ARG 97 -2.501 -10.328 -3.501 28 HB2 ARG 97 2HB ARG 97 -4.816 -10.761 -2.435 29 HB3 ARG 97 3HB ARG 97 -5.457 -10.415 -4.035 30 HG2 ARG 97 2HG ARG 97 -3.490 -12.224 -4.591 31 HG3 ARG 97 3HG ARG 97 -4.092 -12.789 -3.032 32 HD2 ARG 97 2HD ARG 97 -5.299 -13.837 -4.876 33 HD3 ARG 97 3HD ARG 97 -6.367 -12.818 -3.912 34 HE ARG 97 HE ARG 97 -5.433 -11.248 -5.992 35 HH11 ARG 97 1HH1 ARG 97 -7.317 -14.149 -5.603 36 HH12 ARG 97 2HH1 ARG 97 -8.246 -13.895 -7.044 37 HH21 ARG 97 1HH2 ARG 97 -6.649 -10.902 -7.890 38 HH22 ARG 97 2HH2 ARG 97 -7.864 -12.048 -8.344 39 H ASN 98 H ASN 98 -2.157 -7.919 -4.848 40 HA ASN 98 HA ASN 98 -3.053 -8.630 -7.564 41 HB2 ASN 98 2HB ASN 98 -3.353 -6.150 -6.105 42 HB3 ASN 98 3HB ASN 98 -2.421 -5.896 -7.578 43 HD21 ASN 98 1HD2 ASN 98 -3.896 -4.865 -8.793 44 HD22 ASN 98 2HD2 ASN 98 -5.410 -5.542 -9.278 45 H SER 99 H SER 99 -0.650 -6.479 -6.034 46 HA SER 99 HA SER 99 1.560 -7.913 -7.148 47 HB2 SER 99 2HB SER 99 0.783 -6.717 -9.165 48 HB3 SER 99 3HB SER 99 0.936 -5.184 -8.306 49 HG SER 99 HG SER 99 2.966 -5.201 -8.802 50 H CYS 100 H CYS 100 1.639 -7.712 -4.708 51 HA CYS 100 HA CYS 100 2.024 -5.532 -3.183 52 HB2 CYS 100 2HB CYS 100 2.916 -8.264 -3.089 53 HB3 CYS 100 3HB CYS 100 4.187 -7.209 -2.479 54 H LYS 101 H LYS 101 4.424 -6.889 -5.402 55 HA LYS 101 HA LYS 101 5.821 -4.312 -5.360 56 HB2 LYS 101 2HB LYS 101 7.951 -5.255 -5.056 57 HB3 LYS 101 3HB LYS 101 6.942 -6.066 -3.866 58 HG2 LYS 101 2HG LYS 101 7.835 -7.943 -4.671 59 HG3 LYS 101 3HG LYS 101 6.713 -7.727 -6.016 60 HD2 LYS 101 2HD LYS 101 8.910 -8.117 -6.906 61 HD3 LYS 101 3HD LYS 101 8.478 -6.431 -7.199 62 HE2 LYS 101 2HE LYS 101 10.436 -5.906 -6.270 63 HE3 LYS 101 3HE LYS 101 9.712 -6.366 -4.730 64 HZ1 LYS 101 3HZ LYS 101 11.881 -7.453 -5.244 65 HZ2 LYS 101 1HZ LYS 101 11.115 -8.283 -6.504 66 HZ3 LYS 101 2HZ LYS 101 10.622 -8.531 -4.906 67 HA PRO 102 HA PRO 102 5.736 -4.750 -9.736 68 HB2 PRO 102 2HB PRO 102 7.806 -3.122 -10.392 69 HB3 PRO 102 3HB PRO 102 6.247 -2.512 -9.825 70 HG2 PRO 102 2HG PRO 102 8.797 -2.900 -8.304 71 HG3 PRO 102 3HG PRO 102 7.659 -1.541 -8.253 72 HD2 PRO 102 2HD PRO 102 7.695 -3.483 -6.366 73 HD3 PRO 102 3HD PRO 102 6.204 -2.648 -6.849 74 H ALA 103 H ALA 103 6.599 -7.063 -9.072 75 HA ALA 103 HA ALA 103 8.440 -7.874 -10.969 76 HB1 ALA 103 1HB ALA 103 10.472 -7.546 -10.144 77 HB2 ALA 103 2HB ALA 103 9.753 -6.654 -8.802 78 HB3 ALA 103 3HB ALA 103 10.042 -8.388 -8.655 79 H ALA 104 H ALA 104 7.013 -8.418 -7.824 80 HA ALA 104 HA ALA 104 6.113 -11.012 -8.535 81 HB1 ALA 104 1HB ALA 104 8.621 -10.793 -6.972 82 HB2 ALA 104 2HB ALA 104 7.450 -12.011 -6.462 83 HB3 ALA 104 3HB ALA 104 8.092 -12.039 -8.104 84 H ALA 105 H ALA 105 7.164 -10.477 -5.268 85 HA ALA 105 HA ALA 105 4.663 -9.279 -4.436 86 HB1 ALA 105 1HB ALA 105 3.768 -11.033 -3.241 87 HB2 ALA 105 2HB ALA 105 4.410 -11.864 -4.658 88 HB3 ALA 105 3HB ALA 105 5.306 -11.890 -3.139 89 H ALA 106 H ALA 106 5.750 -7.627 -3.460 90 HA ALA 106 HA ALA 106 7.014 -8.229 -0.931 91 HB1 ALA 106 1HB ALA 106 8.635 -6.510 -2.754 92 HB2 ALA 106 2HB ALA 106 9.137 -7.432 -1.337 93 HB3 ALA 106 3HB ALA 106 8.779 -8.265 -2.850 94 H CYS 107 H CYS 107 4.950 -7.099 -0.462 95 HA CYS 107 HA CYS 107 4.316 -4.509 -1.152 96 HB2 CYS 107 2HB CYS 107 3.913 -5.803 1.553 97 HB3 CYS 107 3HB CYS 107 3.040 -4.402 0.942 98 H CYS 108 H CYS 108 4.430 -2.536 0.221 99 HA CYS 108 HA CYS 108 7.040 -2.332 1.575 100 HB2 CYS 108 2HB CYS 108 6.022 0.155 0.405 101 HB3 CYS 108 3HB CYS 108 7.636 -0.546 0.334 102 H ASP 109 H ASP 109 3.665 -1.666 1.620 103 HA ASP 109 HA ASP 109 3.418 0.421 3.397 104 HB2 ASP 109 2HB ASP 109 1.687 -1.372 2.247 105 HB3 ASP 109 3HB ASP 109 1.571 -1.792 3.954 106 HA PRO 110 HA PRO 110 5.390 -1.101 7.061 107 HB2 PRO 110 2HB PRO 110 4.607 0.910 8.708 108 HB3 PRO 110 3HB PRO 110 5.891 1.096 7.508 109 HG2 PRO 110 2HG PRO 110 3.017 1.919 7.351 110 HG3 PRO 110 3HG PRO 110 4.465 2.810 6.846 111 HD2 PRO 110 2HD PRO 110 2.887 1.479 5.093 112 HD3 PRO 110 3HD PRO 110 4.639 1.650 4.862 113 H ALA 111 H ALA 111 2.072 0.178 7.343 114 HA ALA 111 HA ALA 111 1.440 -1.315 9.672 115 HB1 ALA 111 1HB ALA 111 -0.454 -0.103 7.662 116 HB2 ALA 111 2HB ALA 111 -0.835 -0.580 9.317 117 HB3 ALA 111 3HB ALA 111 0.274 0.759 9.019 118 H ALA 112 H ALA 112 1.055 -1.897 6.225 119 HA ALA 112 HA ALA 112 -0.464 -4.327 6.652 120 HB1 ALA 112 1HB ALA 112 -0.849 -4.352 4.392 121 HB2 ALA 112 2HB ALA 112 -0.595 -2.627 4.658 122 HB3 ALA 112 3HB ALA 112 0.708 -3.620 4.006 123 H SER 113 H SER 113 0.283 -6.353 5.508 124 HA SER 113 HA SER 113 3.117 -6.744 5.221 125 HB2 SER 113 2HB SER 113 1.706 -7.533 7.710 126 HB3 SER 113 3HB SER 113 2.809 -8.724 7.023 127 HG SER 113 HG SER 113 3.926 -7.375 8.442 128 H CYS 114 H CYS 114 3.136 -7.891 3.409 129 HA CYS 114 HA CYS 114 1.027 -9.443 2.429 130 HB2 CYS 114 2HB CYS 114 3.978 -9.528 1.773 131 HB3 CYS 114 3HB CYS 114 2.737 -10.372 0.851 132 H TYR 115 H TYR 115 1.896 -11.865 1.645 133 HA TYR 115 HA TYR 115 2.620 -13.301 4.105 134 HB2 TYR 115 2HB TYR 115 0.199 -13.448 3.890 135 HB3 TYR 115 3HB TYR 115 0.354 -14.005 2.227 136 HD1 TYR 115 HD2 TYR 115 1.315 -16.263 1.774 137 HD2 TYR 115 HD1 TYR 115 0.401 -14.953 5.717 138 HE1 TYR 115 HE2 TYR 115 1.379 -18.594 2.557 139 HE2 TYR 115 HE1 TYR 115 0.463 -17.280 6.511 140 HH TYR 115 HH TYR 115 1.653 -19.476 5.682 141 H CYS 116 H CYS 116 4.425 -14.385 3.727 142 HA CYS 116 HA CYS 116 5.349 -14.981 1.093 143 HB2 CYS 116 2HB CYS 116 6.399 -15.981 3.749 144 HB3 CYS 116 3HB CYS 116 7.254 -16.021 2.210 145 H ARG 117 H ARG 117 4.755 -16.637 -0.125 146 HA ARG 117 HA ARG 117 3.596 -19.006 1.169 147 HB2 ARG 117 2HB ARG 117 3.200 -19.209 -1.593 148 HB3 ARG 117 3HB ARG 117 2.006 -18.766 -0.380 149 HG2 ARG 117 2HG ARG 117 1.866 -17.040 -1.910 150 HG3 ARG 117 3HG ARG 117 2.927 -16.377 -0.665 151 HD2 ARG 117 2HD ARG 117 4.087 -15.826 -2.570 152 HD3 ARG 117 3HD ARG 117 4.819 -17.379 -2.166 153 HE ARG 117 HE ARG 117 4.024 -18.180 -4.141 154 HH11 ARG 117 1HH1 ARG 117 2.075 -15.453 -3.200 155 HH12 ARG 117 2HH1 ARG 117 1.121 -15.470 -4.646 156 HH21 ARG 117 1HH2 ARG 117 2.774 -18.213 -6.049 157 HH22 ARG 117 2HH2 ARG 117 1.519 -17.042 -6.265 158 H PHE 118 H PHE 118 6.183 -17.910 -0.880 159 HA PHE 118 HA PHE 118 8.182 -18.951 -1.340 160 HB2 PHE 118 2HB PHE 118 6.996 -21.551 -0.375 161 HB3 PHE 118 3HB PHE 118 8.698 -21.124 -0.520 162 HD1 PHE 118 HD2 PHE 118 8.772 -18.490 0.761 163 HD2 PHE 118 HD1 PHE 118 6.675 -22.026 1.865 164 HE1 PHE 118 HE2 PHE 118 8.788 -17.762 3.110 165 HE2 PHE 118 HE1 PHE 118 6.687 -21.302 4.217 166 HZ PHE 118 HZ PHE 118 7.746 -19.168 4.842 167 H PHE 119 H PHE 119 5.126 -20.396 -2.202 168 HA PHE 119 HA PHE 119 5.719 -22.155 -4.183 169 HB2 PHE 119 2HB PHE 119 3.429 -21.040 -3.344 170 HB3 PHE 119 3HB PHE 119 3.615 -20.170 -4.863 171 HD1 PHE 119 HD2 PHE 119 3.982 -23.680 -3.638 172 HD2 PHE 119 HD1 PHE 119 2.510 -21.061 -6.653 173 HE1 PHE 119 HE2 PHE 119 3.046 -25.606 -4.849 174 HE2 PHE 119 HE1 PHE 119 1.570 -22.983 -7.869 175 HZ PHE 119 HZ PHE 119 1.838 -25.259 -6.968 176 H ARG 120 H ARG 120 5.834 -18.638 -4.396 177 HA ARG 120 HA ARG 120 7.091 -18.907 -7.049 178 HB2 ARG 120 2HB ARG 120 6.079 -16.947 -7.780 179 HB3 ARG 120 3HB ARG 120 4.811 -17.688 -6.814 180 HG2 ARG 120 2HG ARG 120 4.733 -15.947 -5.445 181 HG3 ARG 120 3HG ARG 120 6.480 -15.984 -5.196 182 HD2 ARG 120 2HD ARG 120 5.373 -14.894 -7.746 183 HD3 ARG 120 3HD ARG 120 5.342 -13.900 -6.290 184 HE ARG 120 HE ARG 120 7.706 -13.896 -6.279 185 HH11 ARG 120 1HH1 ARG 120 6.342 -15.535 -9.030 186 HH12 ARG 120 2HH1 ARG 120 7.804 -15.471 -9.958 187 HH21 ARG 120 1HH2 ARG 120 9.637 -13.805 -7.490 188 HH22 ARG 120 2HH2 ARG 120 9.677 -14.487 -9.081 189 H SER 121 H SER 121 7.683 -18.246 -3.873 190 HA SER 121 HA SER 121 9.605 -17.551 -2.835 191 HB2 SER 121 2HB SER 121 10.708 -16.398 -5.371 192 HB3 SER 121 3HB SER 121 11.558 -17.172 -4.034 193 HG SER 121 HG SER 121 11.540 -18.634 -5.681 194 H ALA 122 H ALA 122 7.546 -16.042 -2.426 195 HA ALA 122 HA ALA 122 8.568 -13.463 -1.961 196 HB1 ALA 122 1HB ALA 122 8.124 -13.406 -4.473 197 HB2 ALA 122 2HB ALA 122 6.412 -13.412 -4.048 198 HB3 ALA 122 3HB ALA 122 7.451 -12.096 -3.502 199 H CYS 123 H CYS 123 6.561 -11.900 -1.470 200 HA CYS 123 HA CYS 123 4.554 -13.499 -0.024 201 HB2 CYS 123 2HB CYS 123 5.570 -10.860 0.999 202 HB3 CYS 123 3HB CYS 123 4.711 -12.122 1.876 203 H TYR 124 H TYR 124 2.633 -13.167 -0.913 204 HA TYR 124 HA TYR 124 2.066 -10.722 -2.362 205 HB2 TYR 124 2HB TYR 124 0.072 -11.819 -3.118 206 HB3 TYR 124 3HB TYR 124 1.384 -12.989 -3.197 207 HD1 TYR 124 HD2 TYR 124 1.578 -14.710 -1.348 208 HD2 TYR 124 HD1 TYR 124 -1.860 -12.254 -1.846 209 HE1 TYR 124 HE2 TYR 124 0.266 -16.280 0.016 210 HE2 TYR 124 HE1 TYR 124 -3.182 -13.817 -0.482 211 HH TYR 124 HH TYR 124 -3.207 -15.901 0.425 212 H CYS 125 H CYS 125 0.447 -9.248 -1.868 213 HA CYS 125 HA CYS 125 -0.002 -8.779 0.898 214 HB2 CYS 125 2HB CYS 125 -0.665 -7.438 -1.649 215 HB3 CYS 125 3HB CYS 125 -1.772 -7.116 -0.318 216 H ARG 126 H ARG 126 -1.020 -10.797 1.499 217 HA ARG 126 HA ARG 126 -3.369 -11.840 0.506 218 HB2 ARG 126 2HB ARG 126 -3.752 -12.598 2.938 219 HB3 ARG 126 3HB ARG 126 -2.289 -13.136 2.125 220 HG2 ARG 126 2HG ARG 126 -0.923 -11.822 3.411 221 HG3 ARG 126 3HG ARG 126 -2.194 -10.645 3.750 222 HD2 ARG 126 2HD ARG 126 -1.555 -12.030 5.713 223 HD3 ARG 126 3HD ARG 126 -3.260 -12.149 5.281 224 HE ARG 126 HE ARG 126 -1.602 -14.199 4.123 225 HH11 ARG 126 1HH1 ARG 126 -3.518 -13.254 6.871 226 HH12 ARG 126 2HH1 ARG 126 -3.810 -14.881 7.392 227 HH21 ARG 126 1HH2 ARG 126 -1.978 -16.345 4.797 228 HH22 ARG 126 2HH2 ARG 126 -2.933 -16.638 6.212 Start of MODEL 19 1 H1 CYS 93 H CYS 93 1.831 -0.091 0.979 2 HA CYS 93 HA CYS 93 2.374 0.951 -1.312 3 HB2 CYS 93 2HB CYS 93 3.679 -0.934 0.002 4 HB3 CYS 93 3HB CYS 93 3.073 -1.955 -1.298 5 H VAL 94 H VAL 94 0.855 -2.278 -1.340 6 HA VAL 94 HA VAL 94 -0.204 -1.649 -4.018 7 HB VAL 94 HB VAL 94 1.412 -3.734 -3.439 8 HG11 VAL 94 1HG1 VAL 94 0.263 -5.726 -3.038 9 HG12 VAL 94 2HG1 VAL 94 -0.477 -4.580 -1.918 10 HG13 VAL 94 3HG1 VAL 94 -1.302 -5.009 -3.418 11 HG21 VAL 94 3HG2 VAL 94 0.089 -4.849 -5.448 12 HG22 VAL 94 1HG2 VAL 94 -0.678 -3.261 -5.494 13 HG23 VAL 94 2HG2 VAL 94 1.071 -3.401 -5.670 14 H ALA 95 H ALA 95 -2.255 -2.903 -4.525 15 HA ALA 95 HA ALA 95 -4.255 -2.178 -2.659 16 HB1 ALA 95 1HB ALA 95 -5.648 -3.740 -4.279 17 HB2 ALA 95 2HB ALA 95 -5.098 -2.139 -4.776 18 HB3 ALA 95 3HB ALA 95 -4.204 -3.574 -5.279 19 H THR 96 H THR 96 -4.001 -5.442 -4.007 20 HA THR 96 HA THR 96 -3.415 -6.829 -1.661 21 HB THR 96 HB THR 96 -6.048 -7.692 -1.688 22 HG1 THR 96 HG1 THR 96 -7.225 -6.042 -2.266 23 HG21 THR 96 3HG2 THR 96 -5.943 -7.247 0.535 24 HG22 THR 96 1HG2 THR 96 -5.339 -5.609 0.289 25 HG23 THR 96 2HG2 THR 96 -4.239 -6.982 0.168 26 H ARG 97 H ARG 97 -2.736 -8.747 -2.345 27 HA ARG 97 HA ARG 97 -2.342 -10.526 -3.716 28 HB2 ARG 97 2HB ARG 97 -4.696 -10.927 -2.691 29 HB3 ARG 97 3HB ARG 97 -5.285 -10.569 -4.309 30 HG2 ARG 97 2HG ARG 97 -3.306 -12.400 -4.791 31 HG3 ARG 97 3HG ARG 97 -4.000 -12.966 -3.270 32 HD2 ARG 97 2HD ARG 97 -5.105 -13.962 -5.228 33 HD3 ARG 97 3HD ARG 97 -6.212 -12.995 -4.255 34 HE ARG 97 HE ARG 97 -5.184 -11.351 -6.256 35 HH11 ARG 97 1HH1 ARG 97 -7.192 -14.179 -5.961 36 HH12 ARG 97 2HH1 ARG 97 -8.105 -13.841 -7.394 37 HH21 ARG 97 1HH2 ARG 97 -6.378 -10.894 -8.144 38 HH22 ARG 97 2HH2 ARG 97 -7.641 -11.972 -8.635 39 H ASN 98 H ASN 98 -2.008 -8.041 -4.980 40 HA ASN 98 HA ASN 98 -2.867 -8.674 -7.727 41 HB2 ASN 98 2HB ASN 98 -3.114 -6.223 -6.193 42 HB3 ASN 98 3HB ASN 98 -2.205 -5.958 -7.678 43 HD21 ASN 98 1HD2 ASN 98 -3.829 -4.736 -8.601 44 HD22 ASN 98 2HD2 ASN 98 -5.307 -5.431 -9.166 45 H SER 99 H SER 99 -0.455 -6.567 -6.154 46 HA SER 99 HA SER 99 1.763 -8.012 -7.209 47 HB2 SER 99 2HB SER 99 0.749 -6.654 -9.195 48 HB3 SER 99 3HB SER 99 1.500 -5.269 -8.403 49 HG SER 99 HG SER 99 3.420 -5.989 -8.942 50 H CYS 100 H CYS 100 1.931 -7.762 -4.819 51 HA CYS 100 HA CYS 100 2.217 -5.616 -3.271 52 HB2 CYS 100 2HB CYS 100 3.591 -8.198 -3.393 53 HB3 CYS 100 3HB CYS 100 4.538 -6.948 -2.593 54 H LYS 101 H LYS 101 4.717 -6.685 -5.557 55 HA LYS 101 HA LYS 101 5.727 -3.938 -5.640 56 HB2 LYS 101 2HB LYS 101 7.991 -4.560 -5.337 57 HB3 LYS 101 3HB LYS 101 7.101 -5.359 -4.047 58 HG2 LYS 101 2HG LYS 101 8.180 -7.202 -4.669 59 HG3 LYS 101 3HG LYS 101 7.075 -7.238 -6.044 60 HD2 LYS 101 2HD LYS 101 9.338 -7.458 -6.843 61 HD3 LYS 101 3HD LYS 101 8.705 -5.884 -7.331 62 HE2 LYS 101 2HE LYS 101 10.388 -4.868 -6.299 63 HE3 LYS 101 3HE LYS 101 9.927 -5.619 -4.772 64 HZ1 LYS 101 3HZ LYS 101 12.176 -6.199 -5.280 65 HZ2 LYS 101 1HZ LYS 101 11.752 -6.747 -6.824 66 HZ3 LYS 101 2HZ LYS 101 11.225 -7.588 -5.454 67 HA PRO 102 HA PRO 102 5.808 -4.589 -9.985 68 HB2 PRO 102 2HB PRO 102 7.745 -2.828 -10.703 69 HB3 PRO 102 3HB PRO 102 6.133 -2.323 -10.183 70 HG2 PRO 102 2HG PRO 102 8.684 -2.419 -8.620 71 HG3 PRO 102 3HG PRO 102 7.436 -1.159 -8.649 72 HD2 PRO 102 2HD PRO 102 7.607 -2.995 -6.665 73 HD3 PRO 102 3HD PRO 102 6.059 -2.313 -7.205 74 H ALA 103 H ALA 103 6.849 -6.786 -9.200 75 HA ALA 103 HA ALA 103 8.693 -7.621 -11.029 76 HB1 ALA 103 1HB ALA 103 9.969 -6.152 -8.870 77 HB2 ALA 103 2HB ALA 103 10.617 -7.782 -9.061 78 HB3 ALA 103 3HB ALA 103 10.617 -6.668 -10.428 79 H ALA 104 H ALA 104 7.393 -7.901 -7.826 80 HA ALA 104 HA ALA 104 6.872 -10.669 -8.124 81 HB1 ALA 104 1HB ALA 104 8.406 -11.700 -6.750 82 HB2 ALA 104 2HB ALA 104 9.408 -10.486 -7.547 83 HB3 ALA 104 3HB ALA 104 8.819 -10.205 -5.909 84 H ALA 105 H ALA 105 7.155 -11.092 -5.162 85 HA ALA 105 HA ALA 105 4.835 -9.471 -4.339 86 HB1 ALA 105 1HB ALA 105 4.707 -12.077 -4.627 87 HB2 ALA 105 2HB ALA 105 5.454 -12.074 -3.029 88 HB3 ALA 105 3HB ALA 105 3.901 -11.275 -3.278 89 H ALA 106 H ALA 106 6.024 -7.802 -3.402 90 HA ALA 106 HA ALA 106 7.059 -8.410 -0.758 91 HB1 ALA 106 1HB ALA 106 9.041 -8.616 -2.172 92 HB2 ALA 106 2HB ALA 106 8.769 -6.989 -2.796 93 HB3 ALA 106 3HB ALA 106 9.163 -7.226 -1.093 94 H CYS 107 H CYS 107 5.082 -7.254 -0.261 95 HA CYS 107 HA CYS 107 4.453 -4.672 -1.050 96 HB2 CYS 107 2HB CYS 107 3.959 -5.996 1.626 97 HB3 CYS 107 3HB CYS 107 3.168 -4.524 1.070 98 H CYS 108 H CYS 108 4.514 -2.692 0.347 99 HA CYS 108 HA CYS 108 7.102 -2.473 1.740 100 HB2 CYS 108 2HB CYS 108 6.091 0.004 0.539 101 HB3 CYS 108 3HB CYS 108 7.712 -0.682 0.511 102 H ASP 109 H ASP 109 3.725 -1.802 1.712 103 HA ASP 109 HA ASP 109 3.424 0.284 3.470 104 HB2 ASP 109 2HB ASP 109 1.724 -1.500 2.308 105 HB3 ASP 109 3HB ASP 109 1.622 -1.990 3.997 106 HA PRO 110 HA PRO 110 5.386 -1.163 7.171 107 HB2 PRO 110 2HB PRO 110 4.573 0.869 8.778 108 HB3 PRO 110 3HB PRO 110 5.866 1.045 7.585 109 HG2 PRO 110 2HG PRO 110 2.987 1.843 7.391 110 HG3 PRO 110 3HG PRO 110 4.432 2.736 6.883 111 HD2 PRO 110 2HD PRO 110 2.880 1.364 5.139 112 HD3 PRO 110 3HD PRO 110 4.632 1.545 4.920 113 H ALA 111 H ALA 111 2.044 0.062 7.362 114 HA ALA 111 HA ALA 111 1.410 -1.399 9.723 115 HB1 ALA 111 1HB ALA 111 0.130 0.531 9.358 116 HB2 ALA 111 2HB ALA 111 -0.251 0.070 7.698 117 HB3 ALA 111 3HB ALA 111 -0.976 -0.807 9.046 118 H ALA 112 H ALA 112 1.104 -2.023 6.283 119 HA ALA 112 HA ALA 112 -0.411 -4.463 6.729 120 HB1 ALA 112 1HB ALA 112 -0.588 -2.752 4.736 121 HB2 ALA 112 2HB ALA 112 0.696 -3.755 4.060 122 HB3 ALA 112 3HB ALA 112 -0.855 -4.478 4.486 123 H SER 113 H SER 113 0.397 -6.405 5.333 124 HA SER 113 HA SER 113 3.204 -6.767 5.051 125 HB2 SER 113 2HB SER 113 3.425 -8.531 6.829 126 HB3 SER 113 3HB SER 113 3.232 -6.894 7.455 127 HG SER 113 HG SER 113 1.773 -8.987 8.033 128 H CYS 114 H CYS 114 3.236 -7.978 3.286 129 HA CYS 114 HA CYS 114 1.121 -9.538 2.341 130 HB2 CYS 114 2HB CYS 114 4.071 -9.651 1.689 131 HB3 CYS 114 3HB CYS 114 2.831 -10.518 0.789 132 H TYR 115 H TYR 115 1.933 -11.982 1.616 133 HA TYR 115 HA TYR 115 2.668 -13.373 4.100 134 HB2 TYR 115 2HB TYR 115 0.250 -13.501 3.929 135 HB3 TYR 115 3HB TYR 115 0.364 -14.067 2.267 136 HD1 TYR 115 HD1 TYR 115 1.237 -16.345 1.796 137 HD2 TYR 115 HD2 TYR 115 0.504 -15.000 5.765 138 HE1 TYR 115 HE1 TYR 115 1.280 -18.674 2.586 139 HE2 TYR 115 HE2 TYR 115 0.546 -17.325 6.567 140 HH TYR 115 HH TYR 115 1.216 -20.020 4.355 141 H CYS 116 H CYS 116 4.433 -14.526 3.741 142 HA CYS 116 HA CYS 116 5.354 -15.165 1.121 143 HB2 CYS 116 2HB CYS 116 6.346 -16.199 3.785 144 HB3 CYS 116 3HB CYS 116 7.214 -16.266 2.255 145 H ARG 117 H ARG 117 4.710 -16.798 -0.102 146 HA ARG 117 HA ARG 117 3.468 -19.130 1.183 147 HB2 ARG 117 2HB ARG 117 3.077 -19.309 -1.583 148 HB3 ARG 117 3HB ARG 117 1.892 -18.842 -0.371 149 HG2 ARG 117 2HG ARG 117 1.805 -17.103 -1.891 150 HG3 ARG 117 3HG ARG 117 2.878 -16.477 -0.637 151 HD2 ARG 117 2HD ARG 117 4.087 -15.949 -2.506 152 HD3 ARG 117 3HD ARG 117 4.737 -17.550 -2.156 153 HE ARG 117 HE ARG 117 3.892 -18.248 -4.150 154 HH11 ARG 117 1HH1 ARG 117 2.116 -15.433 -3.130 155 HH12 ARG 117 2HH1 ARG 117 1.167 -15.346 -4.577 156 HH21 ARG 117 1HH2 ARG 117 2.649 -18.145 -6.060 157 HH22 ARG 117 2HH2 ARG 117 1.470 -16.890 -6.243 158 H PHE 118 H PHE 118 6.095 -18.114 -0.858 159 HA PHE 118 HA PHE 118 8.061 -19.219 -1.310 160 HB2 PHE 118 2HB PHE 118 6.781 -21.781 -0.362 161 HB3 PHE 118 3HB PHE 118 8.498 -21.416 -0.501 162 HD1 PHE 118 HD1 PHE 118 8.551 -18.730 0.773 163 HD2 PHE 118 HD2 PHE 118 6.551 -22.316 1.893 164 HE1 PHE 118 HE1 PHE 118 8.589 -18.011 3.126 165 HE2 PHE 118 HE2 PHE 118 6.584 -21.603 4.248 166 HZ PHE 118 HZ PHE 118 7.603 -19.448 4.867 167 H PHE 119 H PHE 119 4.976 -20.636 -2.163 168 HA PHE 119 HA PHE 119 5.576 -22.358 -4.185 169 HB2 PHE 119 2HB PHE 119 3.275 -21.367 -3.276 170 HB3 PHE 119 3HB PHE 119 3.402 -20.397 -4.740 171 HD1 PHE 119 HD1 PHE 119 3.529 -21.533 -6.954 172 HD2 PHE 119 HD2 PHE 119 2.658 -23.639 -3.359 173 HE1 PHE 119 HE1 PHE 119 2.624 -23.403 -8.272 174 HE2 PHE 119 HE2 PHE 119 1.753 -25.512 -4.671 175 HZ PHE 119 HZ PHE 119 1.736 -25.397 -7.131 176 H ARG 120 H ARG 120 5.660 -18.844 -4.298 177 HA ARG 120 HA ARG 120 6.783 -19.015 -7.018 178 HB2 ARG 120 2HB ARG 120 5.753 -17.031 -7.613 179 HB3 ARG 120 3HB ARG 120 4.544 -17.750 -6.557 180 HG2 ARG 120 2HG ARG 120 4.544 -15.742 -5.572 181 HG3 ARG 120 3HG ARG 120 6.005 -16.329 -4.773 182 HD2 ARG 120 2HD ARG 120 7.231 -14.765 -5.767 183 HD3 ARG 120 3HD ARG 120 6.668 -15.282 -7.356 184 HE ARG 120 HE ARG 120 5.824 -12.981 -5.916 185 HH11 ARG 120 1HH1 ARG 120 4.710 -15.453 -8.099 186 HH12 ARG 120 2HH1 ARG 120 3.451 -14.472 -8.774 187 HH21 ARG 120 1HH2 ARG 120 4.171 -11.680 -6.797 188 HH22 ARG 120 2HH2 ARG 120 3.147 -12.326 -8.034 189 H SER 121 H SER 121 7.551 -18.497 -3.845 190 HA SER 121 HA SER 121 9.529 -17.877 -2.872 191 HB2 SER 121 2HB SER 121 10.571 -16.706 -5.425 192 HB3 SER 121 3HB SER 121 11.442 -17.548 -4.144 193 HG SER 121 HG SER 121 10.374 -19.479 -4.852 194 H ALA 122 H ALA 122 7.509 -16.302 -2.395 195 HA ALA 122 HA ALA 122 8.626 -13.793 -1.842 196 HB1 ALA 122 1HB ALA 122 6.505 -13.504 -3.935 197 HB2 ALA 122 2HB ALA 122 7.694 -12.325 -3.379 198 HB3 ALA 122 3HB ALA 122 8.201 -13.680 -4.387 199 H CYS 123 H CYS 123 6.678 -12.147 -1.359 200 HA CYS 123 HA CYS 123 4.596 -13.700 0.034 201 HB2 CYS 123 2HB CYS 123 5.624 -11.058 1.040 202 HB3 CYS 123 3HB CYS 123 4.736 -12.300 1.918 203 H TYR 124 H TYR 124 2.694 -13.355 -0.889 204 HA TYR 124 HA TYR 124 2.185 -10.923 -2.382 205 HB2 TYR 124 2HB TYR 124 0.199 -12.007 -3.169 206 HB3 TYR 124 3HB TYR 124 1.493 -13.200 -3.195 207 HD1 TYR 124 HD1 TYR 124 1.616 -14.882 -1.299 208 HD2 TYR 124 HD2 TYR 124 -1.775 -12.396 -1.953 209 HE1 TYR 124 HE1 TYR 124 0.244 -16.405 0.060 210 HE2 TYR 124 HE2 TYR 124 -3.155 -13.912 -0.594 211 HH TYR 124 HH TYR 124 -2.827 -15.590 1.201 212 H CYS 125 H CYS 125 0.591 -9.415 -1.930 213 HA CYS 125 HA CYS 125 0.094 -8.903 0.815 214 HB2 CYS 125 2HB CYS 125 -0.471 -7.590 -1.757 215 HB3 CYS 125 3HB CYS 125 -1.664 -7.272 -0.503 216 H ARG 126 H ARG 126 -0.971 -10.820 1.526 217 HA ARG 126 HA ARG 126 -3.331 -11.864 0.481 218 HB2 ARG 126 2HB ARG 126 -3.709 -12.668 2.884 219 HB3 ARG 126 3HB ARG 126 -2.230 -13.182 2.082 220 HG2 ARG 126 2HG ARG 126 -0.892 -11.895 3.417 221 HG3 ARG 126 3HG ARG 126 -2.164 -10.715 3.740 222 HD2 ARG 126 2HD ARG 126 -3.041 -11.924 5.453 223 HD3 ARG 126 3HD ARG 126 -2.599 -13.470 4.731 224 HE ARG 126 HE ARG 126 -0.584 -13.382 5.832 225 HH11 ARG 126 1HH1 ARG 126 -2.167 -10.288 6.033 226 HH12 ARG 126 2HH1 ARG 126 -1.055 -9.648 7.198 227 HH21 ARG 126 1HH2 ARG 126 0.886 -12.552 7.366 228 HH22 ARG 126 2HH2 ARG 126 0.681 -10.937 7.955 Start of MODEL 20 1 H1 CYS 93 H CYS 93 1.900 -0.028 0.886 2 HA CYS 93 HA CYS 93 2.436 1.029 -1.418 3 HB2 CYS 93 2HB CYS 93 3.752 -0.833 -0.085 4 HB3 CYS 93 3HB CYS 93 3.144 -1.876 -1.368 5 H VAL 94 H VAL 94 0.909 -2.196 -1.394 6 HA VAL 94 HA VAL 94 -0.151 -1.606 -4.081 7 HB VAL 94 HB VAL 94 1.473 -3.679 -3.483 8 HG11 VAL 94 1HG1 VAL 94 0.331 -5.671 -3.057 9 HG12 VAL 94 2HG1 VAL 94 -0.406 -4.515 -1.946 10 HG13 VAL 94 3HG1 VAL 94 -1.238 -4.961 -3.436 11 HG21 VAL 94 3HG2 VAL 94 0.141 -4.821 -5.474 12 HG22 VAL 94 1HG2 VAL 94 -0.621 -3.232 -5.538 13 HG23 VAL 94 2HG2 VAL 94 1.127 -3.379 -5.716 14 H ALA 95 H ALA 95 -2.200 -2.871 -4.567 15 HA ALA 95 HA ALA 95 -4.197 -2.132 -2.704 16 HB1 ALA 95 1HB ALA 95 -5.677 -3.544 -4.257 17 HB2 ALA 95 2HB ALA 95 -4.882 -2.121 -4.932 18 HB3 ALA 95 3HB ALA 95 -4.224 -3.728 -5.241 19 H THR 96 H THR 96 -3.949 -5.410 -4.017 20 HA THR 96 HA THR 96 -3.346 -6.770 -1.658 21 HB THR 96 HB THR 96 -5.980 -7.634 -1.663 22 HG1 THR 96 HG1 THR 96 -6.217 -4.872 -1.314 23 HG21 THR 96 3HG2 THR 96 -5.881 -7.147 0.557 24 HG22 THR 96 1HG2 THR 96 -5.232 -5.530 0.285 25 HG23 THR 96 2HG2 THR 96 -4.171 -6.935 0.181 26 H ARG 97 H ARG 97 -2.670 -8.695 -2.323 27 HA ARG 97 HA ARG 97 -2.283 -10.491 -3.675 28 HB2 ARG 97 2HB ARG 97 -4.614 -10.902 -2.632 29 HB3 ARG 97 3HB ARG 97 -5.235 -10.523 -4.233 30 HG2 ARG 97 2HG ARG 97 -3.276 -12.357 -4.778 31 HG3 ARG 97 3HG ARG 97 -3.939 -12.937 -3.249 32 HD2 ARG 97 2HD ARG 97 -5.092 -13.908 -5.189 33 HD3 ARG 97 3HD ARG 97 -6.174 -12.941 -4.187 34 HE ARG 97 HE ARG 97 -5.168 -11.295 -6.201 35 HH11 ARG 97 1HH1 ARG 97 -7.213 -14.092 -5.866 36 HH12 ARG 97 2HH1 ARG 97 -8.157 -13.732 -7.273 37 HH21 ARG 97 1HH2 ARG 97 -6.404 -10.810 -8.056 38 HH22 ARG 97 2HH2 ARG 97 -7.696 -11.865 -8.519 39 H ASN 98 H ASN 98 -2.014 -7.977 -4.959 40 HA ASN 98 HA ASN 98 -2.873 -8.647 -7.697 41 HB2 ASN 98 2HB ASN 98 -3.066 -6.176 -6.181 42 HB3 ASN 98 3HB ASN 98 -2.192 -5.941 -7.691 43 HD21 ASN 98 1HD2 ASN 98 -5.223 -6.588 -6.215 44 HD22 ASN 98 2HD2 ASN 98 -6.180 -6.550 -7.653 45 H SER 99 H SER 99 -0.428 -6.543 -6.174 46 HA SER 99 HA SER 99 1.770 -8.020 -7.225 47 HB2 SER 99 2HB SER 99 0.726 -6.668 -9.217 48 HB3 SER 99 3HB SER 99 1.547 -5.299 -8.466 49 HG SER 99 HG SER 99 3.497 -6.377 -8.704 50 H CYS 100 H CYS 100 1.985 -7.733 -4.851 51 HA CYS 100 HA CYS 100 2.294 -5.557 -3.345 52 HB2 CYS 100 2HB CYS 100 3.668 -8.145 -3.440 53 HB3 CYS 100 3HB CYS 100 4.607 -6.881 -2.652 54 H LYS 101 H LYS 101 4.747 -6.678 -5.653 55 HA LYS 101 HA LYS 101 5.777 -3.942 -5.794 56 HB2 LYS 101 2HB LYS 101 8.035 -4.559 -5.487 57 HB3 LYS 101 3HB LYS 101 7.157 -5.361 -4.191 58 HG2 LYS 101 2HG LYS 101 8.264 -7.188 -4.821 59 HG3 LYS 101 3HG LYS 101 7.119 -7.252 -6.162 60 HD2 LYS 101 2HD LYS 101 9.338 -7.452 -7.051 61 HD3 LYS 101 3HD LYS 101 8.704 -5.866 -7.495 62 HE2 LYS 101 2HE LYS 101 11.063 -5.822 -6.716 63 HE3 LYS 101 3HE LYS 101 9.982 -4.806 -5.763 64 HZ1 LYS 101 3HZ LYS 101 11.652 -6.321 -4.558 65 HZ2 LYS 101 1HZ LYS 101 10.563 -7.567 -4.912 66 HZ3 LYS 101 2HZ LYS 101 10.064 -6.247 -3.979 67 HA PRO 102 HA PRO 102 5.800 -4.682 -10.126 68 HB2 PRO 102 2HB PRO 102 7.729 -2.937 -10.904 69 HB3 PRO 102 3HB PRO 102 6.124 -2.420 -10.374 70 HG2 PRO 102 2HG PRO 102 8.694 -2.488 -8.841 71 HG3 PRO 102 3HG PRO 102 7.448 -1.228 -8.880 72 HD2 PRO 102 2HD PRO 102 7.642 -3.023 -6.862 73 HD3 PRO 102 3HD PRO 102 6.088 -2.350 -7.396 74 H ALA 103 H ALA 103 6.842 -6.866 -9.324 75 HA ALA 103 HA ALA 103 8.655 -7.748 -11.152 76 HB1 ALA 103 1HB ALA 103 10.630 -7.861 -9.247 77 HB2 ALA 103 2HB ALA 103 10.579 -6.749 -10.616 78 HB3 ALA 103 3HB ALA 103 9.976 -6.236 -9.040 79 H ALA 104 H ALA 104 7.402 -7.941 -7.928 80 HA ALA 104 HA ALA 104 6.903 -10.722 -8.137 81 HB1 ALA 104 1HB ALA 104 8.912 -10.103 -6.000 82 HB2 ALA 104 2HB ALA 104 8.426 -11.670 -6.649 83 HB3 ALA 104 3HB ALA 104 9.416 -10.582 -7.621 84 H ALA 105 H ALA 105 7.182 -11.074 -5.180 85 HA ALA 105 HA ALA 105 4.876 -9.421 -4.382 86 HB1 ALA 105 1HB ALA 105 5.471 -12.017 -3.045 87 HB2 ALA 105 2HB ALA 105 3.926 -11.199 -3.284 88 HB3 ALA 105 3HB ALA 105 4.706 -12.023 -4.634 89 H ALA 106 H ALA 106 6.076 -7.753 -3.463 90 HA ALA 106 HA ALA 106 7.116 -8.342 -0.815 91 HB1 ALA 106 1HB ALA 106 8.979 -8.392 -2.675 92 HB2 ALA 106 2HB ALA 106 8.882 -6.639 -2.498 93 HB3 ALA 106 3HB ALA 106 9.275 -7.646 -1.104 94 H CYS 107 H CYS 107 5.148 -7.175 -0.314 95 HA CYS 107 HA CYS 107 4.518 -4.601 -1.122 96 HB2 CYS 107 2HB CYS 107 4.044 -5.905 1.567 97 HB3 CYS 107 3HB CYS 107 3.259 -4.428 1.016 98 H CYS 108 H CYS 108 4.587 -2.611 0.272 99 HA CYS 108 HA CYS 108 7.191 -2.381 1.632 100 HB2 CYS 108 2HB CYS 108 6.169 0.086 0.419 101 HB3 CYS 108 3HB CYS 108 7.790 -0.599 0.383 102 H ASP 109 H ASP 109 3.814 -1.704 1.629 103 HA ASP 109 HA ASP 109 3.537 0.396 3.376 104 HB2 ASP 109 2HB ASP 109 1.826 -1.417 2.245 105 HB3 ASP 109 3HB ASP 109 1.718 -1.843 3.951 106 HA PRO 110 HA PRO 110 5.528 -1.053 7.064 107 HB2 PRO 110 2HB PRO 110 4.772 1.010 8.659 108 HB3 PRO 110 3HB PRO 110 6.053 1.151 7.450 109 HG2 PRO 110 2HG PRO 110 3.187 1.999 7.280 110 HG3 PRO 110 3HG PRO 110 4.643 2.861 6.747 111 HD2 PRO 110 2HD PRO 110 3.046 1.501 5.035 112 HD3 PRO 110 3HD PRO 110 4.798 1.647 4.794 113 H ALA 111 H ALA 111 2.216 0.248 7.295 114 HA ALA 111 HA ALA 111 1.581 -1.179 9.673 115 HB1 ALA 111 1HB ALA 111 -0.731 -0.473 9.223 116 HB2 ALA 111 2HB ALA 111 0.412 0.865 9.098 117 HB3 ALA 111 3HB ALA 111 -0.230 0.114 7.637 118 H ALA 112 H ALA 112 1.358 -1.893 6.265 119 HA ALA 112 HA ALA 112 -0.213 -4.304 6.770 120 HB1 ALA 112 1HB ALA 112 0.790 -3.619 4.056 121 HB2 ALA 112 2HB ALA 112 -0.748 -4.327 4.549 122 HB3 ALA 112 3HB ALA 112 -0.460 -2.601 4.770 123 H SER 113 H SER 113 0.548 -6.254 5.364 124 HA SER 113 HA SER 113 3.346 -6.605 4.980 125 HB2 SER 113 2HB SER 113 2.135 -7.439 7.565 126 HB3 SER 113 3HB SER 113 3.257 -8.569 6.806 127 HG SER 113 HG SER 113 3.752 -6.193 8.055 128 H CYS 114 H CYS 114 3.357 -7.851 3.241 129 HA CYS 114 HA CYS 114 1.211 -9.399 2.344 130 HB2 CYS 114 2HB CYS 114 4.150 -9.550 1.651 131 HB3 CYS 114 3HB CYS 114 2.889 -10.414 0.779 132 H TYR 115 H TYR 115 1.997 -11.859 1.632 133 HA TYR 115 HA TYR 115 2.742 -13.230 4.125 134 HB2 TYR 115 2HB TYR 115 0.321 -13.342 3.967 135 HB3 TYR 115 3HB TYR 115 0.424 -13.931 2.312 136 HD1 TYR 115 HD2 TYR 115 1.336 -16.217 1.879 137 HD2 TYR 115 HD1 TYR 115 0.521 -14.821 5.814 138 HE1 TYR 115 HE2 TYR 115 1.368 -18.535 2.701 139 HE2 TYR 115 HE1 TYR 115 0.552 -17.134 6.648 140 HH TYR 115 HH TYR 115 1.886 -19.533 5.366 141 H CYS 116 H CYS 116 4.502 -14.388 3.763 142 HA CYS 116 HA CYS 116 5.400 -15.065 1.144 143 HB2 CYS 116 2HB CYS 116 6.407 -16.071 3.814 144 HB3 CYS 116 3HB CYS 116 7.262 -16.162 2.277 145 H ARG 117 H ARG 117 4.747 -16.712 -0.055 146 HA ARG 117 HA ARG 117 3.504 -19.023 1.269 147 HB2 ARG 117 2HB ARG 117 3.084 -19.231 -1.491 148 HB3 ARG 117 3HB ARG 117 1.913 -18.746 -0.272 149 HG2 ARG 117 2HG ARG 117 1.818 -17.024 -1.812 150 HG3 ARG 117 3HG ARG 117 2.904 -16.388 -0.574 151 HD2 ARG 117 2HD ARG 117 4.104 -15.885 -2.454 152 HD3 ARG 117 3HD ARG 117 4.743 -17.490 -2.101 153 HE ARG 117 HE ARG 117 3.881 -18.184 -4.089 154 HH11 ARG 117 1HH1 ARG 117 2.108 -15.375 -3.047 155 HH12 ARG 117 2HH1 ARG 117 1.138 -15.295 -4.480 156 HH21 ARG 117 1HH2 ARG 117 2.611 -18.088 -5.981 157 HH22 ARG 117 2HH2 ARG 117 1.425 -16.839 -6.148 158 H PHE 118 H PHE 118 6.112 -18.039 -0.811 159 HA PHE 118 HA PHE 118 8.070 -19.156 -1.273 160 HB2 PHE 118 2HB PHE 118 6.793 -21.702 -0.280 161 HB3 PHE 118 3HB PHE 118 8.509 -21.343 -0.442 162 HD1 PHE 118 HD1 PHE 118 8.648 -18.677 0.808 163 HD2 PHE 118 HD2 PHE 118 6.522 -22.175 1.975 164 HE1 PHE 118 HE1 PHE 118 8.713 -17.930 3.152 165 HE2 PHE 118 HE2 PHE 118 6.583 -21.434 4.321 166 HZ PHE 118 HZ PHE 118 7.679 -19.309 4.912 167 H PHE 119 H PHE 119 4.972 -20.582 -2.070 168 HA PHE 119 HA PHE 119 5.549 -22.326 -4.081 169 HB2 PHE 119 2HB PHE 119 3.259 -21.326 -3.153 170 HB3 PHE 119 3HB PHE 119 3.365 -20.375 -4.631 171 HD1 PHE 119 HD2 PHE 119 3.483 -23.877 -3.391 172 HD2 PHE 119 HD1 PHE 119 2.626 -21.261 -6.638 173 HE1 PHE 119 HE2 PHE 119 2.564 -25.768 -4.668 174 HE2 PHE 119 HE1 PHE 119 1.705 -23.148 -7.920 175 HZ PHE 119 HZ PHE 119 1.674 -25.406 -6.936 176 H ARG 120 H ARG 120 5.645 -18.816 -4.227 177 HA ARG 120 HA ARG 120 6.718 -19.013 -6.964 178 HB2 ARG 120 2HB ARG 120 5.686 -17.032 -7.558 179 HB3 ARG 120 3HB ARG 120 4.494 -17.732 -6.471 180 HG2 ARG 120 2HG ARG 120 4.527 -15.711 -5.513 181 HG3 ARG 120 3HG ARG 120 5.992 -16.303 -4.728 182 HD2 ARG 120 2HD ARG 120 7.217 -14.759 -5.752 183 HD3 ARG 120 3HD ARG 120 6.635 -15.293 -7.329 184 HE ARG 120 HE ARG 120 5.815 -12.970 -5.905 185 HH11 ARG 120 1HH1 ARG 120 4.689 -15.449 -8.074 186 HH12 ARG 120 2HH1 ARG 120 3.439 -14.465 -8.759 187 HH21 ARG 120 1HH2 ARG 120 4.172 -11.664 -6.799 188 HH22 ARG 120 2HH2 ARG 120 3.146 -12.312 -8.033 189 H SER 121 H SER 121 7.534 -18.458 -3.804 190 HA SER 121 HA SER 121 9.534 -17.846 -2.871 191 HB2 SER 121 2HB SER 121 10.373 -18.429 -5.314 192 HB3 SER 121 3HB SER 121 10.563 -16.679 -5.424 193 HG SER 121 HG SER 121 11.920 -16.762 -3.618 194 H ALA 122 H ALA 122 7.517 -16.256 -2.390 195 HA ALA 122 HA ALA 122 8.657 -13.748 -1.869 196 HB1 ALA 122 1HB ALA 122 8.196 -13.659 -4.411 197 HB2 ALA 122 2HB ALA 122 6.509 -13.462 -3.934 198 HB3 ALA 122 3HB ALA 122 7.717 -12.289 -3.408 199 H CYS 123 H CYS 123 6.702 -12.087 -1.402 200 HA CYS 123 HA CYS 123 4.639 -13.618 0.042 201 HB2 CYS 123 2HB CYS 123 5.690 -10.971 1.009 202 HB3 CYS 123 3HB CYS 123 4.806 -12.199 1.910 203 H TYR 124 H TYR 124 2.732 -13.279 -0.872 204 HA TYR 124 HA TYR 124 2.212 -10.860 -2.381 205 HB2 TYR 124 2HB TYR 124 0.213 -11.944 -3.132 206 HB3 TYR 124 3HB TYR 124 1.501 -13.142 -3.160 207 HD1 TYR 124 HD1 TYR 124 1.640 -14.804 -1.247 208 HD2 TYR 124 HD2 TYR 124 -1.748 -12.310 -1.887 209 HE1 TYR 124 HE1 TYR 124 0.279 -16.306 0.146 210 HE2 TYR 124 HE2 TYR 124 -3.118 -13.805 -0.494 211 HH TYR 124 HH TYR 124 -3.188 -15.908 0.431 212 H CYS 125 H CYS 125 0.641 -9.335 -1.923 213 HA CYS 125 HA CYS 125 0.175 -8.795 0.822 214 HB2 CYS 125 2HB CYS 125 -0.391 -7.497 -1.753 215 HB3 CYS 125 3HB CYS 125 -1.589 -7.168 -0.506 216 H ARG 126 H ARG 126 -0.898 -10.698 1.559 217 HA ARG 126 HA ARG 126 -3.275 -11.734 0.548 218 HB2 ARG 126 2HB ARG 126 -3.636 -12.502 2.971 219 HB3 ARG 126 3HB ARG 126 -2.180 -13.050 2.150 220 HG2 ARG 126 2HG ARG 126 -0.798 -11.729 3.425 221 HG3 ARG 126 3HG ARG 126 -2.077 -10.574 3.805 222 HD2 ARG 126 2HD ARG 126 -1.375 -12.014 5.722 223 HD3 ARG 126 3HD ARG 126 -3.094 -12.095 5.337 224 HE ARG 126 HE ARG 126 -1.503 -14.140 4.079 225 HH11 ARG 126 1HH1 ARG 126 -3.326 -13.237 6.904 226 HH12 ARG 126 2HH1 ARG 126 -3.630 -14.872 7.391 227 HH21 ARG 126 1HH2 ARG 126 -1.896 -16.296 4.709 228 HH22 ARG 126 2HH2 ARG 126 -2.815 -16.611 6.142
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