NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8478 | 1ma2 | 5486 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 1HT LYS 1 -7.144 -9.051 9.228 2 2H LYS 1 2HT LYS 1 -8.562 -9.101 8.261 3 3H LYS 1 3HT LYS 1 -7.694 -7.631 8.441 4 HA LYS 1 HA LYS 1 -6.976 -10.044 6.948 5 1HB LYS 1 2HB LYS 1 -7.908 -7.359 6.406 6 2HB LYS 1 1HB LYS 1 -6.376 -7.655 5.596 7 1HG LYS 1 2HG LYS 1 -8.403 -9.783 5.358 8 2HG LYS 1 1HG LYS 1 -8.758 -8.263 4.536 9 1HD LYS 1 2HD LYS 1 -7.603 -9.420 2.906 10 2HD LYS 1 1HD LYS 1 -6.312 -8.485 3.663 11 1HE LYS 1 2HE LYS 1 -5.269 -10.475 3.777 12 2HE LYS 1 1HE LYS 1 -6.285 -10.711 5.198 13 1HZ LYS 1 1HZ LYS 1 -6.780 -12.594 4.065 14 2HZ LYS 1 2HZ LYS 1 -6.491 -11.914 2.544 15 3HZ LYS 1 3HZ LYS 1 -7.938 -11.586 3.356 16 H TRP 2 H TRP 2 -4.892 -8.993 5.535 17 HA TRP 2 HA TRP 2 -2.863 -8.375 7.569 18 1HB TRP 2 2HB TRP 2 -2.814 -10.467 5.423 19 2HB TRP 2 1HB TRP 2 -1.311 -9.771 6.023 20 HD1 TRP 2 HD TRP 2 -4.401 -11.665 7.396 21 HE1 TRP 2 1HE TRP 2 -3.642 -13.054 9.426 22 HE3 TRP 2 3HE TRP 2 0.462 -10.113 7.669 23 HZ2 TRP 2 2HZ TRP 2 -1.292 -13.438 10.944 24 HZ3 TRP 2 3HZ TRP 2 1.897 -11.036 9.440 25 HH2 TRP 2 HH TRP 2 1.037 -12.664 11.043 26 H CYS 3 H CYS 3 -2.553 -8.845 4.106 27 HA CYS 3 HA CYS 3 -0.935 -6.602 3.695 28 1HB CYS 3 2HB CYS 3 -2.626 -8.216 1.787 29 2HB CYS 3 1HB CYS 3 -1.563 -6.919 1.253 30 H PHE 4 H PHE 4 -1.359 -4.499 3.500 31 HA PHE 4 HA PHE 4 -3.973 -3.606 2.585 32 1HB PHE 4 2HB PHE 4 -2.950 -3.253 5.361 33 2HB PHE 4 1HB PHE 4 -3.806 -1.900 4.626 34 HD1 PHE 4 1HD PHE 4 -4.379 -4.158 6.929 35 HD2 PHE 4 2HD PHE 4 -5.872 -3.212 3.058 36 HE1 PHE 4 1HE PHE 4 -6.527 -5.213 7.504 37 HE2 PHE 4 2HE PHE 4 -8.022 -4.266 3.626 38 HZ PHE 4 HZ PHE 4 -8.351 -5.267 5.852 39 H ARG 5 H ARG 5 -2.622 -2.983 0.785 40 HA ARG 5 HA ARG 5 -0.588 -0.984 1.153 41 1HB ARG 5 2HB ARG 5 -0.388 -2.574 -0.665 42 2HB ARG 5 1HB ARG 5 -1.934 -2.065 -1.326 43 1HG ARG 5 2HG ARG 5 -0.853 0.251 -1.549 44 2HG ARG 5 1HG ARG 5 0.676 -0.600 -1.313 45 1HD ARG 5 2HD ARG 5 -1.342 -1.416 -3.385 46 2HD ARG 5 1HD ARG 5 -0.063 -0.249 -3.713 47 HE ARG 5 HE ARG 5 0.231 -3.111 -3.316 48 1HH1 ARG 5 1HH1 ARG 5 1.815 -0.010 -3.594 49 2HH1 ARG 5 2HH1 ARG 5 3.352 -0.695 -4.003 50 1HH2 ARG 5 1HH2 ARG 5 2.251 -4.007 -3.849 51 2HH2 ARG 5 2HH2 ARG 5 3.600 -2.962 -4.147 52 H VAL 6 H VAL 6 -1.576 0.781 2.138 53 HA VAL 6 HA VAL 6 -3.184 2.421 0.337 54 HB VAL 6 HB VAL 6 -4.833 1.245 1.730 55 1HG1 VAL 6 1HG1 VAL 6 -3.114 1.160 3.700 56 2HG1 VAL 6 2HG1 VAL 6 -4.845 1.222 4.027 57 3HG1 VAL 6 3HG1 VAL 6 -3.871 2.686 4.156 58 1HG2 VAL 6 1HG2 VAL 6 -4.708 4.103 2.646 59 2HG2 VAL 6 2HG2 VAL 6 -6.129 3.124 2.282 60 3HG2 VAL 6 3HG2 VAL 6 -5.075 3.669 0.977 61 H CYS 7 H CYS 7 -3.271 4.677 0.976 62 HA CYS 7 HA CYS 7 -0.915 5.440 2.565 63 1HB CYS 7 2HB CYS 7 -2.323 7.211 0.573 64 2HB CYS 7 1HB CYS 7 -0.697 7.381 1.226 65 H TYR 8 H TYR 8 -1.061 7.340 3.901 66 HA TYR 8 HA TYR 8 -3.795 8.102 4.657 67 1HB TYR 8 2HB TYR 8 -1.600 7.138 6.482 68 2HB TYR 8 1HB TYR 8 -2.945 8.106 7.072 69 HD1 TYR 8 1HD TYR 8 -1.814 4.901 6.954 70 HD2 TYR 8 2HD TYR 8 -5.311 7.123 5.988 71 HE1 TYR 8 1HE TYR 8 -3.168 2.861 7.189 72 HE2 TYR 8 2HE TYR 8 -6.675 5.090 6.220 73 HH TYR 8 HH TYR 8 -5.483 2.063 6.201 74 H ARG 9 H ARG 9 -3.952 10.209 4.297 75 HA ARG 9 HA ARG 9 -3.530 12.442 4.304 76 1HB ARG 9 2HB ARG 9 -1.955 11.427 6.588 77 2HB ARG 9 1HB ARG 9 -1.463 12.998 5.974 78 1HG ARG 9 2HG ARG 9 -3.034 13.314 7.751 79 2HG ARG 9 1HG ARG 9 -3.797 13.782 6.230 80 1HD ARG 9 2HD ARG 9 -5.358 12.504 7.550 81 2HD ARG 9 1HD ARG 9 -4.883 11.565 6.135 82 HE ARG 9 HE ARG 9 -4.028 9.990 7.541 83 1HH1 ARG 9 1HH1 ARG 9 -4.273 12.999 9.292 84 2HH1 ARG 9 2HH1 ARG 9 -3.798 12.302 10.805 85 1HH2 ARG 9 1HH2 ARG 9 -3.403 9.072 9.529 86 2HH2 ARG 9 2HH2 ARG 9 -3.304 10.073 10.940 87 H GLY 10 H GLY 10 -0.198 11.416 4.976 88 1HA GLY 10 2HA GLY 10 0.534 12.096 2.213 89 2HA GLY 10 1HA GLY 10 1.334 12.939 3.530 90 H ILE 11 H ILE 11 0.428 9.591 3.840 91 HA ILE 11 HA ILE 11 3.196 8.765 3.324 92 HB ILE 11 HB ILE 11 2.793 9.153 5.793 93 1HG1 ILE 11 2HG1 ILE 11 4.583 7.684 4.843 94 2HG1 ILE 11 1HG1 ILE 11 4.059 7.222 6.458 95 1HG2 ILE 11 1HG2 ILE 11 1.429 7.750 7.056 96 2HG2 ILE 11 2HG2 ILE 11 1.266 6.576 5.751 97 3HG2 ILE 11 3HG2 ILE 11 0.447 8.133 5.643 98 1HD1 ILE 11 1HD1 ILE 11 3.900 5.761 3.932 99 2HD1 ILE 11 2HD1 ILE 11 2.436 5.691 4.913 100 3HD1 ILE 11 3HD1 ILE 11 3.977 5.167 5.591 101 H CYS 12 H CYS 12 3.275 7.070 2.012 102 HA CYS 12 HA CYS 12 0.847 5.461 1.651 103 1HB CYS 12 2HB CYS 12 3.185 6.097 -0.121 104 2HB CYS 12 1HB CYS 12 2.192 4.679 -0.438 105 H TYR 13 H TYR 13 0.794 3.600 2.703 106 HA TYR 13 HA TYR 13 3.308 2.259 3.379 107 1HB TYR 13 2HB TYR 13 0.599 2.350 4.565 108 2HB TYR 13 1HB TYR 13 1.424 0.797 4.656 109 HD1 TYR 13 1HD TYR 13 1.238 4.164 5.953 110 HD2 TYR 13 2HD TYR 13 3.634 0.650 5.818 111 HE1 TYR 13 1HE TYR 13 2.510 4.964 7.900 112 HE2 TYR 13 2HE TYR 13 4.912 1.440 7.765 113 HH TYR 13 HH TYR 13 5.406 3.881 8.777 114 H ARG 14 H ARG 14 3.938 1.039 1.692 115 HA ARG 14 HA ARG 14 2.009 -0.513 0.178 116 1HB ARG 14 2HB ARG 14 5.013 -0.479 -0.113 117 2HB ARG 14 1HB ARG 14 3.838 -1.053 -1.288 118 1HG ARG 14 2HG ARG 14 3.336 1.027 -2.014 119 2HG ARG 14 1HG ARG 14 3.579 1.760 -0.428 120 1HD ARG 14 2HD ARG 14 5.249 2.368 -2.244 121 2HD ARG 14 1HD ARG 14 5.910 1.838 -0.701 122 HE ARG 14 HE ARG 14 5.926 0.342 -3.218 123 1HH1 ARG 14 1HH1 ARG 14 6.823 0.527 0.159 124 2HH1 ARG 14 2HH1 ARG 14 7.983 -0.752 0.042 125 1HH2 ARG 14 1HH2 ARG 14 7.449 -1.338 -3.358 126 2HH2 ARG 14 2HH2 ARG 14 8.338 -1.810 -1.949 127 H ARG 15 H ARG 15 4.129 -0.956 2.838 128 HA ARG 15 HA ARG 15 4.773 -3.662 2.620 129 1HB ARG 15 2HB ARG 15 4.758 -1.635 4.719 130 2HB ARG 15 1HB ARG 15 4.419 -3.247 5.338 131 1HG ARG 15 2HG ARG 15 6.775 -2.830 5.467 132 2HG ARG 15 1HG ARG 15 6.476 -4.061 4.240 133 1HD ARG 15 2HD ARG 15 6.487 -1.299 3.241 134 2HD ARG 15 1HD ARG 15 8.031 -1.859 3.883 135 HE ARG 15 HE ARG 15 6.887 -2.587 1.414 136 1HH1 ARG 15 1HH1 ARG 15 8.624 -3.977 4.103 137 2HH1 ARG 15 2HH1 ARG 15 9.344 -5.230 3.152 138 1HH2 ARG 15 1HH2 ARG 15 7.832 -4.237 0.161 139 2HH2 ARG 15 2HH2 ARG 15 8.895 -5.378 0.913 140 H CYS 16 H CYS 16 3.789 -5.543 3.267 141 HA CYS 16 HA CYS 16 0.923 -5.534 3.274 142 1HB CYS 16 2HB CYS 16 3.069 -7.557 3.134 143 2HB CYS 16 1HB CYS 16 1.575 -8.099 3.892 144 H ARG 17 H ARG 17 3.361 -5.466 5.682 145 HA ARG 17 HA ARG 17 1.480 -6.335 7.758 146 1HB ARG 17 2HB ARG 17 4.472 -5.940 7.780 147 2HB ARG 17 1HB ARG 17 3.536 -6.262 9.233 148 1HG ARG 17 2HG ARG 17 3.905 -8.059 6.851 149 2HG ARG 17 1HG ARG 17 4.468 -8.319 8.502 150 1HD ARG 17 2HD ARG 17 1.624 -8.310 7.513 151 2HD ARG 17 1HD ARG 17 2.532 -9.683 8.143 152 HE ARG 17 HE ARG 17 2.581 -8.293 10.290 153 1HH1 ARG 17 1HH1 ARG 17 -0.072 -8.258 8.008 154 2HH1 ARG 17 2HH1 ARG 17 -1.252 -7.853 9.206 155 1HH2 ARG 17 1HH2 ARG 17 1.022 -7.758 11.854 156 2HH2 ARG 17 2HH2 ARG 17 -0.634 -7.569 11.384 Start of MODEL 2 1 1H LYS 1 1HT LYS 1 -6.948 -9.514 6.612 2 2H LYS 1 2HT LYS 1 -6.915 -7.922 7.255 3 3H LYS 1 3HT LYS 1 -7.190 -8.169 5.578 4 HA LYS 1 HA LYS 1 -9.188 -9.490 6.281 5 1HB LYS 1 2HB LYS 1 -8.544 -7.937 8.796 6 2HB LYS 1 1HB LYS 1 -10.085 -8.726 8.487 7 1HG LYS 1 2HG LYS 1 -7.649 -10.391 8.262 8 2HG LYS 1 1HG LYS 1 -8.132 -9.871 9.877 9 1HD LYS 1 2HD LYS 1 -9.215 -11.928 9.574 10 2HD LYS 1 1HD LYS 1 -10.465 -10.723 9.257 11 1HE LYS 1 2HE LYS 1 -10.334 -12.655 7.629 12 2HE LYS 1 1HE LYS 1 -10.318 -11.038 6.924 13 1HZ LYS 1 1HZ LYS 1 -8.609 -12.856 6.181 14 2HZ LYS 1 2HZ LYS 1 -7.752 -12.317 7.537 15 3HZ LYS 1 3HZ LYS 1 -8.148 -11.231 6.300 16 H TRP 2 H TRP 2 -8.669 -6.258 7.693 17 HA TRP 2 HA TRP 2 -10.694 -5.216 5.842 18 1HB TRP 2 2HB TRP 2 -10.545 -4.948 8.552 19 2HB TRP 2 1HB TRP 2 -9.758 -3.466 8.020 20 HD1 TRP 2 HD TRP 2 -13.022 -5.343 7.027 21 HE1 TRP 2 1HE TRP 2 -14.885 -3.589 6.769 22 HE3 TRP 2 3HE TRP 2 -10.322 -1.130 8.074 23 HZ2 TRP 2 2HZ TRP 2 -15.175 -0.789 6.983 24 HZ3 TRP 2 3HZ TRP 2 -11.467 1.047 8.026 25 HH2 TRP 2 HH TRP 2 -13.844 1.212 7.491 26 H CYS 3 H CYS 3 -7.355 -5.092 6.600 27 HA CYS 3 HA CYS 3 -6.924 -2.590 5.176 28 1HB CYS 3 2HB CYS 3 -4.663 -4.319 6.083 29 2HB CYS 3 1HB CYS 3 -4.790 -2.564 6.062 30 H PHE 4 H PHE 4 -5.285 -2.506 3.433 31 HA PHE 4 HA PHE 4 -4.682 -4.923 2.001 32 1HB PHE 4 2HB PHE 4 -5.871 -3.927 -0.111 33 2HB PHE 4 1HB PHE 4 -6.792 -4.874 1.052 34 HD1 PHE 4 1HD PHE 4 -8.935 -4.053 1.124 35 HD2 PHE 4 2HD PHE 4 -5.679 -1.312 1.061 36 HE1 PHE 4 1HE PHE 4 -10.507 -2.181 1.406 37 HE2 PHE 4 2HE PHE 4 -7.245 0.563 1.344 38 HZ PHE 4 HZ PHE 4 -9.662 0.129 1.518 39 H ARG 5 H ARG 5 -3.324 -2.557 3.131 40 HA ARG 5 HA ARG 5 -1.557 -1.218 2.631 41 1HB ARG 5 2HB ARG 5 -1.189 -3.416 1.101 42 2HB ARG 5 1HB ARG 5 -1.286 -2.185 -0.151 43 1HG ARG 5 2HG ARG 5 0.997 -2.413 0.366 44 2HG ARG 5 1HG ARG 5 0.475 -0.914 1.138 45 1HD ARG 5 2HD ARG 5 1.373 -1.719 3.013 46 2HD ARG 5 1HD ARG 5 0.010 -2.835 3.067 47 HE ARG 5 HE ARG 5 1.423 -4.542 2.484 48 1HH1 ARG 5 1HH1 ARG 5 3.020 -1.496 1.902 49 2HH1 ARG 5 2HH1 ARG 5 4.558 -2.220 1.574 50 1HH2 ARG 5 1HH2 ARG 5 3.444 -5.499 2.054 51 2HH2 ARG 5 2HH2 ARG 5 4.798 -4.494 1.661 52 H VAL 6 H VAL 6 -1.474 0.878 2.065 53 HA VAL 6 HA VAL 6 -2.225 1.978 -0.380 54 HB VAL 6 HB VAL 6 -4.518 1.205 0.670 55 1HG1 VAL 6 1HG1 VAL 6 -3.926 2.623 2.767 56 2HG1 VAL 6 2HG1 VAL 6 -5.578 2.618 2.148 57 3HG1 VAL 6 3HG1 VAL 6 -4.506 3.972 1.790 58 1HG2 VAL 6 1HG2 VAL 6 -5.486 2.472 -0.917 59 2HG2 VAL 6 2HG2 VAL 6 -3.818 2.851 -1.343 60 3HG2 VAL 6 3HG2 VAL 6 -4.745 3.962 -0.332 61 H CYS 7 H CYS 7 -2.762 4.470 -0.060 62 HA CYS 7 HA CYS 7 -0.774 5.452 1.860 63 1HB CYS 7 2HB CYS 7 -1.989 7.074 -0.366 64 2HB CYS 7 1HB CYS 7 -0.454 7.319 0.457 65 H TYR 8 H TYR 8 -1.210 7.325 3.134 66 HA TYR 8 HA TYR 8 -3.787 8.524 3.234 67 1HB TYR 8 2HB TYR 8 -3.193 6.251 5.063 68 2HB TYR 8 1HB TYR 8 -4.041 7.639 5.737 69 HD1 TYR 8 1HD TYR 8 -5.996 8.503 4.015 70 HD2 TYR 8 2HD TYR 8 -4.549 4.521 4.396 71 HE1 TYR 8 1HE TYR 8 -8.116 7.651 3.104 72 HE2 TYR 8 2HE TYR 8 -6.663 3.659 3.485 73 HH TYR 8 HH TYR 8 -8.522 4.385 2.143 74 H ARG 9 H ARG 9 -3.985 10.059 5.060 75 HA ARG 9 HA ARG 9 -3.192 11.763 6.333 76 1HB ARG 9 2HB ARG 9 -2.335 10.003 7.790 77 2HB ARG 9 1HB ARG 9 -0.883 9.868 6.809 78 1HG ARG 9 2HG ARG 9 -0.140 11.149 8.558 79 2HG ARG 9 1HG ARG 9 -0.588 12.389 7.386 80 1HD ARG 9 2HD ARG 9 -2.844 11.640 9.025 81 2HD ARG 9 1HD ARG 9 -1.481 12.150 10.019 82 HE ARG 9 HE ARG 9 -3.151 13.825 8.488 83 1HH1 ARG 9 1HH1 ARG 9 0.206 13.391 9.336 84 2HH1 ARG 9 2HH1 ARG 9 0.603 15.065 9.135 85 1HH2 ARG 9 1HH2 ARG 9 -2.631 16.026 8.222 86 2HH2 ARG 9 2HH2 ARG 9 -1.008 16.562 8.503 87 H GLY 10 H GLY 10 -0.044 10.553 5.201 88 1HA GLY 10 2HA GLY 10 0.189 12.553 3.159 89 2HA GLY 10 1HA GLY 10 1.102 12.966 4.602 90 H ILE 11 H ILE 11 0.617 9.673 3.522 91 HA ILE 11 HA ILE 11 3.132 9.497 2.150 92 HB ILE 11 HB ILE 11 3.961 7.683 3.789 93 1HG1 ILE 11 2HG1 ILE 11 3.366 8.160 6.161 94 2HG1 ILE 11 1HG1 ILE 11 2.137 9.288 5.596 95 1HG2 ILE 11 1HG2 ILE 11 4.166 10.450 4.904 96 2HG2 ILE 11 2HG2 ILE 11 4.848 10.069 3.323 97 3HG2 ILE 11 3HG2 ILE 11 5.409 9.209 4.757 98 1HD1 ILE 11 1HD1 ILE 11 0.709 7.645 5.027 99 2HD1 ILE 11 2HD1 ILE 11 1.638 6.736 6.217 100 3HD1 ILE 11 3HD1 ILE 11 1.993 6.560 4.499 101 H CYS 12 H CYS 12 3.665 7.061 1.780 102 HA CYS 12 HA CYS 12 1.124 5.658 1.272 103 1HB CYS 12 2HB CYS 12 3.601 5.933 -0.404 104 2HB CYS 12 1HB CYS 12 2.527 4.555 -0.618 105 H TYR 13 H TYR 13 0.997 4.184 2.872 106 HA TYR 13 HA TYR 13 3.184 2.243 3.044 107 1HB TYR 13 2HB TYR 13 2.049 3.868 5.275 108 2HB TYR 13 1HB TYR 13 2.534 2.209 5.610 109 HD1 TYR 13 1HD TYR 13 3.702 5.557 4.689 110 HD2 TYR 13 2HD TYR 13 4.864 1.552 5.530 111 HE1 TYR 13 1HE TYR 13 6.039 6.287 4.908 112 HE2 TYR 13 2HE TYR 13 7.201 2.271 5.752 113 HH TYR 13 HH TYR 13 8.161 5.295 6.237 114 H ARG 14 H ARG 14 0.642 2.052 5.395 115 HA ARG 14 HA ARG 14 -0.786 0.115 3.719 116 1HB ARG 14 2HB ARG 14 -0.921 -0.817 6.394 117 2HB ARG 14 1HB ARG 14 -0.186 -1.601 5.005 118 1HG ARG 14 2HG ARG 14 1.538 -1.536 6.534 119 2HG ARG 14 1HG ARG 14 1.862 -0.117 5.539 120 1HD ARG 14 2HD ARG 14 2.127 0.445 7.875 121 2HD ARG 14 1HD ARG 14 0.722 1.284 7.218 122 HE ARG 14 HE ARG 14 0.091 -1.222 8.479 123 1HH1 ARG 14 1HH1 ARG 14 0.594 2.194 8.989 124 2HH1 ARG 14 2HH1 ARG 14 -0.356 2.244 10.436 125 1HH2 ARG 14 1HH2 ARG 14 -1.157 -1.157 10.384 126 2HH2 ARG 14 2HH2 ARG 14 -1.348 0.343 11.228 127 H ARG 15 H ARG 15 -1.245 0.971 7.126 128 HA ARG 15 HA ARG 15 -3.030 1.824 8.246 129 1HB ARG 15 2HB ARG 15 -2.427 3.803 6.802 130 2HB ARG 15 1HB ARG 15 -3.669 3.274 5.677 131 1HG ARG 15 2HG ARG 15 -4.449 5.056 7.162 132 2HG ARG 15 1HG ARG 15 -5.377 3.569 7.357 133 1HD ARG 15 2HD ARG 15 -4.154 3.017 9.362 134 2HD ARG 15 1HD ARG 15 -3.093 4.406 9.139 135 HE ARG 15 HE ARG 15 -5.533 5.541 9.271 136 1HH1 ARG 15 1HH1 ARG 15 -3.884 3.243 11.318 137 2HH1 ARG 15 2HH1 ARG 15 -4.689 3.761 12.760 138 1HH2 ARG 15 1HH2 ARG 15 -6.592 6.225 11.168 139 2HH2 ARG 15 2HH2 ARG 15 -6.227 5.453 12.675 140 H CYS 16 H CYS 16 -5.427 1.838 8.345 141 HA CYS 16 HA CYS 16 -6.678 0.051 6.385 142 1HB CYS 16 2HB CYS 16 -7.163 -0.300 9.338 143 2HB CYS 16 1HB CYS 16 -7.570 -1.398 8.022 144 H ARG 17 H ARG 17 -7.380 2.333 5.820 145 HA ARG 17 HA ARG 17 -9.901 2.892 7.224 146 1HB ARG 17 2HB ARG 17 -7.757 4.526 7.491 147 2HB ARG 17 1HB ARG 17 -8.501 5.221 6.059 148 1HG ARG 17 2HG ARG 17 -9.935 4.748 8.662 149 2HG ARG 17 1HG ARG 17 -9.215 6.284 8.175 150 1HD ARG 17 2HD ARG 17 -10.685 6.390 6.247 151 2HD ARG 17 1HD ARG 17 -11.365 4.816 6.654 152 HE ARG 17 HE ARG 17 -12.014 7.350 7.845 153 1HH1 ARG 17 1HH1 ARG 17 -11.987 3.890 8.313 154 2HH1 ARG 17 2HH1 ARG 17 -13.245 3.917 9.504 155 1HH2 ARG 17 1HH2 ARG 17 -13.666 7.385 9.412 156 2HH2 ARG 17 2HH2 ARG 17 -14.198 5.900 10.128 Start of MODEL 3 1 1H LYS 1 1HT LYS 1 4.808 8.073 9.124 2 2H LYS 1 2HT LYS 1 5.562 6.969 10.199 3 3H LYS 1 3HT LYS 1 4.095 6.542 9.417 4 HA LYS 1 HA LYS 1 5.362 6.897 7.283 5 1HB LYS 1 2HB LYS 1 7.749 6.641 7.440 6 2HB LYS 1 1HB LYS 1 7.273 7.982 8.471 7 1HG LYS 1 2HG LYS 1 8.562 6.997 10.004 8 2HG LYS 1 1HG LYS 1 7.202 5.894 10.220 9 1HD LYS 1 2HD LYS 1 9.162 4.566 9.941 10 2HD LYS 1 1HD LYS 1 8.219 4.433 8.456 11 1HE LYS 1 2HE LYS 1 9.751 6.502 7.775 12 2HE LYS 1 1HE LYS 1 10.835 5.745 8.941 13 1HZ LYS 1 1HZ LYS 1 10.650 3.673 7.690 14 2HZ LYS 1 2HZ LYS 1 11.256 4.922 6.723 15 3HZ LYS 1 3HZ LYS 1 9.646 4.430 6.556 16 H TRP 2 H TRP 2 5.508 4.995 6.178 17 HA TRP 2 HA TRP 2 5.326 2.768 5.751 18 1HB TRP 2 2HB TRP 2 7.513 2.590 6.769 19 2HB TRP 2 1HB TRP 2 6.810 2.592 8.381 20 HD1 TRP 2 HD TRP 2 6.944 0.346 5.234 21 HE1 TRP 2 1HE TRP 2 6.690 -2.099 5.990 22 HE3 TRP 2 3HE TRP 2 6.091 1.118 10.217 23 HZ2 TRP 2 2HZ TRP 2 6.194 -3.517 8.379 24 HZ3 TRP 2 3HZ TRP 2 5.736 -0.838 11.668 25 HH2 TRP 2 HH TRP 2 5.786 -3.107 10.767 26 H CYS 3 H CYS 3 3.039 2.835 5.896 27 HA CYS 3 HA CYS 3 2.008 1.457 8.267 28 1HB CYS 3 2HB CYS 3 1.446 4.049 7.851 29 2HB CYS 3 1HB CYS 3 0.166 3.325 6.884 30 H PHE 4 H PHE 4 -0.518 0.928 7.610 31 HA PHE 4 HA PHE 4 -0.422 -1.297 6.020 32 1HB PHE 4 2HB PHE 4 -2.421 0.141 7.410 33 2HB PHE 4 1HB PHE 4 -3.047 -0.163 5.791 34 HD1 PHE 4 1HD PHE 4 -0.845 -2.210 7.994 35 HD2 PHE 4 2HD PHE 4 -4.569 -1.888 5.959 36 HE1 PHE 4 1HE PHE 4 -1.398 -4.516 8.649 37 HE2 PHE 4 2HE PHE 4 -5.129 -4.193 6.612 38 HZ PHE 4 HZ PHE 4 -3.541 -5.510 7.958 39 H ARG 5 H ARG 5 -2.104 -1.531 4.089 40 HA ARG 5 HA ARG 5 -0.862 -0.441 1.834 41 1HB ARG 5 2HB ARG 5 -2.287 -2.561 2.044 42 2HB ARG 5 1HB ARG 5 -3.671 -1.501 1.835 43 1HG ARG 5 2HG ARG 5 -2.850 -2.651 -0.238 44 2HG ARG 5 1HG ARG 5 -3.006 -0.898 -0.349 45 1HD ARG 5 2HD ARG 5 -0.811 -0.618 -0.702 46 2HD ARG 5 1HD ARG 5 -0.373 -1.784 0.545 47 HE ARG 5 HE ARG 5 -1.292 -3.325 -1.498 48 1HH1 ARG 5 1HH1 ARG 5 1.152 -0.845 -1.240 49 2HH1 ARG 5 2HH1 ARG 5 2.146 -1.521 -2.489 50 1HH2 ARG 5 1HH2 ARG 5 0.012 -4.211 -3.139 51 2HH2 ARG 5 2HH2 ARG 5 1.498 -3.430 -3.568 52 H VAL 6 H VAL 6 -1.431 1.104 0.367 53 HA VAL 6 HA VAL 6 -2.579 2.879 -0.559 54 HB VAL 6 HB VAL 6 -4.369 3.011 1.862 55 1HG1 VAL 6 1HG1 VAL 6 -4.785 4.926 0.696 56 2HG1 VAL 6 2HG1 VAL 6 -5.904 3.835 -0.123 57 3HG1 VAL 6 3HG1 VAL 6 -4.344 4.212 -0.855 58 1HG2 VAL 6 1HG2 VAL 6 -4.211 0.884 -0.020 59 2HG2 VAL 6 2HG2 VAL 6 -5.706 1.772 -0.311 60 3HG2 VAL 6 3HG2 VAL 6 -5.369 1.113 1.288 61 H CYS 7 H CYS 7 -2.780 5.235 -0.132 62 HA CYS 7 HA CYS 7 -0.686 6.036 1.708 63 1HB CYS 7 2HB CYS 7 -0.919 6.820 -0.750 64 2HB CYS 7 1HB CYS 7 -2.153 7.909 -0.120 65 H TYR 8 H TYR 8 -1.249 6.440 3.722 66 HA TYR 8 HA TYR 8 -3.906 7.457 4.331 67 1HB TYR 8 2HB TYR 8 -1.657 6.507 6.113 68 2HB TYR 8 1HB TYR 8 -3.216 7.074 6.703 69 HD1 TYR 8 1HD TYR 8 -4.912 5.788 4.507 70 HD2 TYR 8 2HD TYR 8 -1.755 4.284 6.931 71 HE1 TYR 8 1HE TYR 8 -5.827 3.518 4.281 72 HE2 TYR 8 2HE TYR 8 -2.660 2.009 6.709 73 HH TYR 8 HH TYR 8 -5.762 1.380 5.469 74 H ARG 9 H ARG 9 -4.045 9.585 3.953 75 HA ARG 9 HA ARG 9 -3.797 11.817 4.263 76 1HB ARG 9 2HB ARG 9 -3.222 10.677 6.719 77 2HB ARG 9 1HB ARG 9 -1.860 11.750 6.440 78 1HG ARG 9 2HG ARG 9 -4.754 12.571 6.306 79 2HG ARG 9 1HG ARG 9 -3.693 12.813 7.695 80 1HD ARG 9 2HD ARG 9 -2.381 13.827 5.385 81 2HD ARG 9 1HD ARG 9 -4.025 14.459 5.404 82 HE ARG 9 HE ARG 9 -3.518 15.679 7.289 83 1HH1 ARG 9 1HH1 ARG 9 -0.922 13.444 6.609 84 2HH1 ARG 9 2HH1 ARG 9 0.159 14.157 7.756 85 1HH2 ARG 9 1HH2 ARG 9 -2.094 16.616 8.797 86 2HH2 ARG 9 2HH2 ARG 9 -0.505 15.959 8.999 87 H GLY 10 H GLY 10 -0.558 10.694 5.291 88 1HA GLY 10 2HA GLY 10 0.538 12.284 3.052 89 2HA GLY 10 1HA GLY 10 1.279 12.249 4.641 90 H ILE 11 H ILE 11 1.028 9.416 5.077 91 HA ILE 11 HA ILE 11 3.253 8.573 3.396 92 HB ILE 11 HB ILE 11 3.420 6.631 4.899 93 1HG1 ILE 11 2HG1 ILE 11 1.907 7.245 7.109 94 2HG1 ILE 11 1HG1 ILE 11 0.810 7.638 5.788 95 1HG2 ILE 11 1HG2 ILE 11 3.650 9.422 5.754 96 2HG2 ILE 11 2HG2 ILE 11 4.838 8.117 5.780 97 3HG2 ILE 11 3HG2 ILE 11 3.638 8.243 7.066 98 1HD1 ILE 11 1HD1 ILE 11 1.094 5.395 4.881 99 2HD1 ILE 11 2HD1 ILE 11 0.502 5.354 6.542 100 3HD1 ILE 11 3HD1 ILE 11 2.196 5.000 6.201 101 H CYS 12 H CYS 12 3.318 6.569 2.300 102 HA CYS 12 HA CYS 12 0.766 5.226 1.830 103 1HB CYS 12 2HB CYS 12 2.334 5.522 -0.629 104 2HB CYS 12 1HB CYS 12 0.605 5.694 -0.375 105 H TYR 13 H TYR 13 1.152 3.208 2.435 106 HA TYR 13 HA TYR 13 3.335 1.748 1.213 107 1HB TYR 13 2HB TYR 13 3.174 2.102 4.211 108 2HB TYR 13 1HB TYR 13 4.231 0.957 3.392 109 HD1 TYR 13 1HD TYR 13 3.860 4.349 4.517 110 HD2 TYR 13 2HD TYR 13 5.942 1.858 1.763 111 HE1 TYR 13 1HE TYR 13 5.571 6.089 4.240 112 HE2 TYR 13 2HE TYR 13 7.654 3.589 1.481 113 HH TYR 13 HH TYR 13 8.513 5.606 3.049 114 H ARG 14 H ARG 14 3.196 -0.480 3.064 115 HA ARG 14 HA ARG 14 0.401 -1.320 2.784 116 1HB ARG 14 2HB ARG 14 1.420 -2.312 0.907 117 2HB ARG 14 1HB ARG 14 2.861 -2.746 1.813 118 1HG ARG 14 2HG ARG 14 1.529 -4.704 1.311 119 2HG ARG 14 1HG ARG 14 1.579 -4.420 3.050 120 1HD ARG 14 2HD ARG 14 -0.627 -3.394 2.960 121 2HD ARG 14 1HD ARG 14 -0.670 -3.615 1.213 122 HE ARG 14 HE ARG 14 -1.144 -5.848 1.520 123 1HH1 ARG 14 1HH1 ARG 14 -0.296 -4.397 4.581 124 2HH1 ARG 14 2HH1 ARG 14 -0.805 -5.764 5.511 125 1HH2 ARG 14 1HH2 ARG 14 -1.810 -7.647 2.745 126 2HH2 ARG 14 2HH2 ARG 14 -1.662 -7.609 4.471 127 H ARG 15 H ARG 15 3.030 -1.020 4.862 128 HA ARG 15 HA ARG 15 1.731 -2.850 6.751 129 1HB ARG 15 2HB ARG 15 4.727 -2.679 6.432 130 2HB ARG 15 1HB ARG 15 3.837 -3.746 7.508 131 1HG ARG 15 2HG ARG 15 4.293 -5.199 5.826 132 2HG ARG 15 1HG ARG 15 2.758 -4.556 5.241 133 1HD ARG 15 2HD ARG 15 4.364 -4.601 3.435 134 2HD ARG 15 1HD ARG 15 3.997 -2.929 3.862 135 HE ARG 15 HE ARG 15 6.317 -3.986 5.191 136 1HH1 ARG 15 1HH1 ARG 15 5.140 -2.412 2.307 137 2HH1 ARG 15 2HH1 ARG 15 6.677 -1.717 1.909 138 1HH2 ARG 15 1HH2 ARG 15 8.335 -3.075 4.671 139 2HH2 ARG 15 2HH2 ARG 15 8.491 -2.094 3.252 140 H CYS 16 H CYS 16 1.766 -2.238 8.891 141 HA CYS 16 HA CYS 16 3.065 0.328 9.519 142 1HB CYS 16 2HB CYS 16 0.397 0.165 9.176 143 2HB CYS 16 1HB CYS 16 0.495 -0.280 10.876 144 H ARG 17 H ARG 17 2.873 0.681 12.036 145 HA ARG 17 HA ARG 17 4.460 -1.285 13.258 146 1HB ARG 17 2HB ARG 17 3.327 1.279 13.970 147 2HB ARG 17 1HB ARG 17 3.235 0.164 15.326 148 1HG ARG 17 2HG ARG 17 5.304 0.921 15.747 149 2HG ARG 17 1HG ARG 17 5.771 -0.269 14.529 150 1HD ARG 17 2HD ARG 17 5.571 1.519 12.805 151 2HD ARG 17 1HD ARG 17 5.287 2.677 14.104 152 HE ARG 17 HE ARG 17 7.629 1.466 14.788 153 1HH1 ARG 17 1HH1 ARG 17 6.491 3.152 11.951 154 2HH1 ARG 17 2HH1 ARG 17 8.060 3.738 11.516 155 1HH2 ARG 17 1HH2 ARG 17 9.694 2.236 14.217 156 2HH2 ARG 17 2HH2 ARG 17 9.882 3.217 12.803 Start of MODEL 4 1 1H LYS 1 1HT LYS 1 -11.166 -2.654 6.857 2 2H LYS 1 2HT LYS 1 -11.887 -1.231 7.491 3 3H LYS 1 3HT LYS 1 -12.635 -2.756 7.733 4 HA LYS 1 HA LYS 1 -11.401 -1.797 9.643 5 1HB LYS 1 2HB LYS 1 -12.102 -4.211 9.210 6 2HB LYS 1 1HB LYS 1 -10.441 -4.490 8.702 7 1HG LYS 1 2HG LYS 1 -10.626 -5.182 10.964 8 2HG LYS 1 1HG LYS 1 -9.702 -3.679 10.945 9 1HD LYS 1 2HD LYS 1 -11.800 -2.455 11.490 10 2HD LYS 1 1HD LYS 1 -12.616 -4.012 11.650 11 1HE LYS 1 2HE LYS 1 -10.484 -4.410 13.256 12 2HE LYS 1 1HE LYS 1 -10.706 -2.672 13.452 13 1HZ LYS 1 1HZ LYS 1 -12.629 -2.954 14.555 14 2HZ LYS 1 2HZ LYS 1 -12.010 -4.494 14.882 15 3HZ LYS 1 3HZ LYS 1 -13.118 -4.279 13.621 16 H TRP 2 H TRP 2 -9.288 -3.512 7.401 17 HA TRP 2 HA TRP 2 -7.303 -1.480 7.378 18 1HB TRP 2 2HB TRP 2 -7.191 -2.911 9.671 19 2HB TRP 2 1HB TRP 2 -6.166 -3.905 8.643 20 HD1 TRP 2 HD TRP 2 -5.960 -0.231 7.873 21 HE1 TRP 2 1HE TRP 2 -3.738 0.715 8.761 22 HE3 TRP 2 3HE TRP 2 -4.446 -4.219 10.694 23 HZ2 TRP 2 2HZ TRP 2 -1.624 -0.115 10.434 24 HZ3 TRP 2 3HZ TRP 2 -2.310 -4.059 11.907 25 HH2 TRP 2 HH TRP 2 -0.930 -2.050 11.778 26 H CYS 3 H CYS 3 -5.071 -3.343 6.979 27 HA CYS 3 HA CYS 3 -4.143 -4.718 5.408 28 1HB CYS 3 2HB CYS 3 -6.509 -5.902 5.663 29 2HB CYS 3 1HB CYS 3 -6.742 -5.253 4.043 30 H PHE 4 H PHE 4 -3.078 -4.039 3.657 31 HA PHE 4 HA PHE 4 -2.498 -2.808 1.832 32 1HB PHE 4 2HB PHE 4 -5.461 -2.679 1.244 33 2HB PHE 4 1HB PHE 4 -4.140 -2.488 0.096 34 HD1 PHE 4 1HD PHE 4 -2.640 -4.486 -0.343 35 HD2 PHE 4 2HD PHE 4 -6.373 -4.781 1.680 36 HE1 PHE 4 1HE PHE 4 -2.706 -6.897 -0.824 37 HE2 PHE 4 2HE PHE 4 -6.444 -7.194 1.202 38 HZ PHE 4 HZ PHE 4 -4.610 -8.255 -0.050 39 H ARG 5 H ARG 5 -2.023 -1.223 3.618 40 HA ARG 5 HA ARG 5 -3.753 0.934 4.148 41 1HB ARG 5 2HB ARG 5 -1.459 2.081 4.755 42 2HB ARG 5 1HB ARG 5 -2.132 0.807 5.758 43 1HG ARG 5 2HG ARG 5 -0.612 -0.779 4.970 44 2HG ARG 5 1HG ARG 5 -0.170 0.207 3.574 45 1HD ARG 5 2HD ARG 5 1.541 0.145 5.401 46 2HD ARG 5 1HD ARG 5 1.000 1.761 4.946 47 HE ARG 5 HE ARG 5 -0.562 0.822 7.089 48 1HH1 ARG 5 1HH1 ARG 5 2.678 1.919 6.399 49 2HH1 ARG 5 2HH1 ARG 5 2.952 2.515 8.002 50 1HH2 ARG 5 1HH2 ARG 5 -0.206 1.606 9.197 51 2HH2 ARG 5 2HH2 ARG 5 1.314 2.338 9.590 52 H VAL 6 H VAL 6 -1.824 0.239 1.419 53 HA VAL 6 HA VAL 6 -1.153 1.430 -0.396 54 HB VAL 6 HB VAL 6 -3.267 1.338 -1.238 55 1HG1 VAL 6 1HG1 VAL 6 -4.425 1.407 0.913 56 2HG1 VAL 6 2HG1 VAL 6 -5.254 2.357 -0.316 57 3HG1 VAL 6 3HG1 VAL 6 -4.299 3.164 0.925 58 1HG2 VAL 6 1HG2 VAL 6 -2.005 3.602 -1.762 59 2HG2 VAL 6 2HG2 VAL 6 -3.431 4.290 -0.988 60 3HG2 VAL 6 3HG2 VAL 6 -3.609 3.258 -2.406 61 H CYS 7 H CYS 7 -2.918 4.175 0.897 62 HA CYS 7 HA CYS 7 -0.690 5.508 1.993 63 1HB CYS 7 2HB CYS 7 0.004 5.647 -0.365 64 2HB CYS 7 1HB CYS 7 -1.518 6.437 -0.765 65 H TYR 8 H TYR 8 -1.618 6.644 3.539 66 HA TYR 8 HA TYR 8 -3.962 8.282 2.888 67 1HB TYR 8 2HB TYR 8 -3.740 6.574 5.375 68 2HB TYR 8 1HB TYR 8 -5.077 7.641 4.960 69 HD1 TYR 8 1HD TYR 8 -4.602 4.419 5.372 70 HD2 TYR 8 2HD TYR 8 -5.545 7.024 2.142 71 HE1 TYR 8 1HE TYR 8 -5.714 2.561 4.206 72 HE2 TYR 8 2HE TYR 8 -6.660 5.176 0.968 73 HH TYR 8 HH TYR 8 -6.309 1.946 1.870 74 H ARG 9 H ARG 9 -4.301 10.073 4.324 75 HA ARG 9 HA ARG 9 -3.654 11.857 5.574 76 1HB ARG 9 2HB ARG 9 -2.577 9.590 6.929 77 2HB ARG 9 1HB ARG 9 -1.386 10.881 6.998 78 1HG ARG 9 2HG ARG 9 -2.566 11.413 8.850 79 2HG ARG 9 1HG ARG 9 -3.537 12.293 7.669 80 1HD ARG 9 2HD ARG 9 -5.096 11.112 8.961 81 2HD ARG 9 1HD ARG 9 -4.932 10.168 7.480 82 HE ARG 9 HE ARG 9 -3.115 9.102 9.250 83 1HH1 ARG 9 1HH1 ARG 9 -6.570 9.582 9.168 84 2HH1 ARG 9 2HH1 ARG 9 -6.911 8.198 10.153 85 1HH2 ARG 9 1HH2 ARG 9 -3.560 7.282 10.543 86 2HH2 ARG 9 2HH2 ARG 9 -5.202 6.892 10.933 87 H GLY 10 H GLY 10 -0.610 10.113 4.942 88 1HA GLY 10 2HA GLY 10 0.263 12.072 3.036 89 2HA GLY 10 1HA GLY 10 1.067 12.243 4.587 90 H ILE 11 H ILE 11 0.943 9.269 5.021 91 HA ILE 11 HA ILE 11 3.359 8.666 3.526 92 HB ILE 11 HB ILE 11 2.485 8.080 6.123 93 1HG1 ILE 11 2HG1 ILE 11 4.769 8.509 5.650 94 2HG1 ILE 11 1HG1 ILE 11 4.700 6.849 6.232 95 1HG2 ILE 11 1HG2 ILE 11 2.780 5.513 4.569 96 2HG2 ILE 11 2HG2 ILE 11 1.270 6.134 5.236 97 3HG2 ILE 11 3HG2 ILE 11 2.586 5.671 6.316 98 1HD1 ILE 11 1HD1 ILE 11 6.138 6.735 4.425 99 2HD1 ILE 11 2HD1 ILE 11 5.176 7.856 3.462 100 3HD1 ILE 11 3HD1 ILE 11 4.597 6.216 3.742 101 H CYS 12 H CYS 12 3.620 6.903 2.159 102 HA CYS 12 HA CYS 12 1.128 5.579 1.320 103 1HB CYS 12 2HB CYS 12 3.484 6.233 -0.453 104 2HB CYS 12 1HB CYS 12 1.956 5.524 -0.956 105 H TYR 13 H TYR 13 1.234 3.623 2.235 106 HA TYR 13 HA TYR 13 3.513 1.931 1.516 107 1HB TYR 13 2HB TYR 13 2.612 2.632 4.250 108 2HB TYR 13 1HB TYR 13 2.984 0.934 3.968 109 HD1 TYR 13 1HD TYR 13 4.343 4.310 4.219 110 HD2 TYR 13 2HD TYR 13 5.261 0.236 3.412 111 HE1 TYR 13 1HE TYR 13 6.737 4.802 4.496 112 HE2 TYR 13 2HE TYR 13 7.656 0.715 3.687 113 HH TYR 13 HH TYR 13 8.887 3.902 3.853 114 H ARG 14 H ARG 14 3.003 -0.421 1.873 115 HA ARG 14 HA ARG 14 0.139 -1.017 1.784 116 1HB ARG 14 2HB ARG 14 0.914 -0.736 -0.558 117 2HB ARG 14 1HB ARG 14 2.096 -2.012 -0.295 118 1HG ARG 14 2HG ARG 14 -0.549 -2.889 0.443 119 2HG ARG 14 1HG ARG 14 -0.514 -2.291 -1.217 120 1HD ARG 14 2HD ARG 14 1.789 -3.942 -0.640 121 2HD ARG 14 1HD ARG 14 0.285 -4.803 -0.315 122 HE ARG 14 HE ARG 14 0.079 -3.530 -2.805 123 1HH1 ARG 14 1HH1 ARG 14 1.811 -6.150 -1.284 124 2HH1 ARG 14 2HH1 ARG 14 1.986 -7.051 -2.752 125 1HH2 ARG 14 1HH2 ARG 14 0.307 -4.714 -4.737 126 2HH2 ARG 14 2HH2 ARG 14 1.133 -6.237 -4.712 127 H ARG 15 H ARG 15 0.286 -2.037 3.766 128 HA ARG 15 HA ARG 15 1.494 -4.688 3.679 129 1HB ARG 15 2HB ARG 15 2.027 -2.818 5.990 130 2HB ARG 15 1HB ARG 15 2.646 -4.450 5.785 131 1HG ARG 15 2HG ARG 15 3.301 -2.150 3.959 132 2HG ARG 15 1HG ARG 15 4.304 -2.668 5.315 133 1HD ARG 15 2HD ARG 15 5.039 -4.519 4.242 134 2HD ARG 15 1HD ARG 15 3.510 -4.771 3.403 135 HE ARG 15 HE ARG 15 4.403 -3.686 1.616 136 1HH1 ARG 15 1HH1 ARG 15 6.116 -2.645 4.473 137 2HH1 ARG 15 2HH1 ARG 15 7.239 -1.663 3.593 138 1HH2 ARG 15 1HH2 ARG 15 5.879 -2.394 0.458 139 2HH2 ARG 15 2HH2 ARG 15 7.104 -1.520 1.314 140 H CYS 16 H CYS 16 0.217 -6.178 4.581 141 HA CYS 16 HA CYS 16 -2.177 -5.252 5.987 142 1HB CYS 16 2HB CYS 16 -2.301 -6.802 3.973 143 2HB CYS 16 1HB CYS 16 -1.617 -8.052 5.008 144 H ARG 17 H ARG 17 -1.012 -4.817 7.962 145 HA ARG 17 HA ARG 17 -0.404 -5.306 10.098 146 1HB ARG 17 2HB ARG 17 -2.472 -6.620 10.117 147 2HB ARG 17 1HB ARG 17 -1.613 -8.002 9.450 148 1HG ARG 17 2HG ARG 17 -1.879 -8.368 11.781 149 2HG ARG 17 1HG ARG 17 -0.178 -7.998 11.493 150 1HD ARG 17 2HD ARG 17 -0.986 -5.539 11.993 151 2HD ARG 17 1HD ARG 17 -2.277 -6.380 12.849 152 HE ARG 17 HE ARG 17 -0.763 -7.012 14.455 153 1HH1 ARG 17 1HH1 ARG 17 0.958 -5.768 11.685 154 2HH1 ARG 17 2HH1 ARG 17 2.490 -5.743 12.492 155 1HH2 ARG 17 1HH2 ARG 17 1.249 -6.979 15.518 156 2HH2 ARG 17 2HH2 ARG 17 2.655 -6.431 14.668 Start of MODEL 5 1 1H LYS 1 1HT LYS 1 -0.869 -10.378 11.864 2 2H LYS 1 2HT LYS 1 -0.387 -8.756 11.576 3 3H LYS 1 3HT LYS 1 0.598 -10.056 11.039 4 HA LYS 1 HA LYS 1 -0.868 -10.669 9.406 5 1HB LYS 1 2HB LYS 1 -3.133 -9.684 9.261 6 2HB LYS 1 1HB LYS 1 -2.886 -10.570 10.759 7 1HG LYS 1 2HG LYS 1 -3.199 -8.755 12.023 8 2HG LYS 1 1HG LYS 1 -2.237 -7.729 10.956 9 1HD LYS 1 2HD LYS 1 -4.235 -6.775 10.513 10 2HD LYS 1 1HD LYS 1 -4.406 -8.139 9.404 11 1HE LYS 1 2HE LYS 1 -5.215 -8.679 12.178 12 2HE LYS 1 1HE LYS 1 -6.197 -7.480 11.337 13 1HZ LYS 1 1HZ LYS 1 -6.550 -9.082 9.556 14 2HZ LYS 1 2HZ LYS 1 -7.087 -9.697 11.036 15 3HZ LYS 1 3HZ LYS 1 -5.624 -10.233 10.382 16 H TRP 2 H TRP 2 -0.603 -9.761 7.438 17 HA TRP 2 HA TRP 2 0.182 -6.926 7.359 18 1HB TRP 2 2HB TRP 2 1.377 -9.290 6.293 19 2HB TRP 2 1HB TRP 2 0.880 -8.275 4.944 20 HD1 TRP 2 HD TRP 2 3.175 -7.382 4.178 21 HE1 TRP 2 1HE TRP 2 5.015 -5.947 5.257 22 HE3 TRP 2 3HE TRP 2 1.468 -7.334 9.014 23 HZ2 TRP 2 2HZ TRP 2 5.664 -4.932 7.800 24 HZ3 TRP 2 3HZ TRP 2 2.766 -6.107 10.700 25 HH2 TRP 2 HH TRP 2 4.820 -4.930 10.106 26 H CYS 3 H CYS 3 -1.087 -5.522 6.247 27 HA CYS 3 HA CYS 3 -2.388 -5.958 3.871 28 1HB CYS 3 2HB CYS 3 -4.814 -5.997 4.909 29 2HB CYS 3 1HB CYS 3 -3.933 -7.490 4.613 30 H PHE 4 H PHE 4 -1.222 -3.811 4.181 31 HA PHE 4 HA PHE 4 -3.270 -1.791 4.563 32 1HB PHE 4 2HB PHE 4 -1.678 -2.273 6.698 33 2HB PHE 4 1HB PHE 4 -0.714 -1.065 5.856 34 HD1 PHE 4 1HD PHE 4 -3.725 -1.701 7.772 35 HD2 PHE 4 2HD PHE 4 -1.607 1.191 5.478 36 HE1 PHE 4 1HE PHE 4 -5.138 0.077 8.718 37 HE2 PHE 4 2HE PHE 4 -3.014 2.974 6.422 38 HZ PHE 4 HZ PHE 4 -4.781 2.419 8.045 39 H ARG 5 H ARG 5 -2.914 -1.879 2.219 40 HA ARG 5 HA ARG 5 -0.488 -0.448 1.370 41 1HB ARG 5 2HB ARG 5 -1.377 -2.773 0.386 42 2HB ARG 5 1HB ARG 5 -2.307 -1.682 -0.630 43 1HG ARG 5 2HG ARG 5 0.690 -1.727 -0.345 44 2HG ARG 5 1HG ARG 5 -0.243 -2.324 -1.719 45 1HD ARG 5 2HD ARG 5 -1.174 0.225 -1.489 46 2HD ARG 5 1HD ARG 5 0.506 0.417 -0.988 47 HE ARG 5 HE ARG 5 -0.436 -0.009 -3.624 48 1HH1 ARG 5 1HH1 ARG 5 2.186 -0.853 -1.482 49 2HH1 ARG 5 2HH1 ARG 5 3.330 -1.071 -2.764 50 1HH2 ARG 5 1HH2 ARG 5 1.066 -0.298 -5.312 51 2HH2 ARG 5 2HH2 ARG 5 2.694 -0.755 -4.937 52 H VAL 6 H VAL 6 -1.198 1.642 1.857 53 HA VAL 6 HA VAL 6 -2.689 2.930 -0.178 54 HB VAL 6 HB VAL 6 -4.602 1.956 1.009 55 1HG1 VAL 6 1HG1 VAL 6 -3.250 2.145 3.268 56 2HG1 VAL 6 2HG1 VAL 6 -5.014 2.162 3.248 57 3HG1 VAL 6 3HG1 VAL 6 -4.120 3.676 3.387 58 1HG2 VAL 6 1HG2 VAL 6 -4.525 4.914 1.556 59 2HG2 VAL 6 2HG2 VAL 6 -5.918 3.918 1.134 60 3HG2 VAL 6 3HG2 VAL 6 -4.671 4.243 -0.068 61 H CYS 7 H CYS 7 -2.839 5.252 0.137 62 HA CYS 7 HA CYS 7 -0.620 6.225 1.744 63 1HB CYS 7 2HB CYS 7 -2.092 7.167 -0.631 64 2HB CYS 7 1HB CYS 7 -1.554 8.431 0.469 65 H TYR 8 H TYR 8 -1.267 6.348 3.831 66 HA TYR 8 HA TYR 8 -3.784 7.634 4.510 67 1HB TYR 8 2HB TYR 8 -2.079 5.712 5.749 68 2HB TYR 8 1HB TYR 8 -2.211 7.095 6.829 69 HD1 TYR 8 1HD TYR 8 -4.770 5.718 4.504 70 HD2 TYR 8 2HD TYR 8 -3.593 6.325 8.548 71 HE1 TYR 8 1HE TYR 8 -6.967 4.911 5.259 72 HE2 TYR 8 2HE TYR 8 -5.787 5.519 9.313 73 HH TYR 8 HH TYR 8 -7.618 4.047 8.435 74 H ARG 9 H ARG 9 -3.965 9.727 4.949 75 HA ARG 9 HA ARG 9 -3.481 11.864 5.565 76 1HB ARG 9 2HB ARG 9 -2.409 10.682 7.540 77 2HB ARG 9 1HB ARG 9 -0.876 10.838 6.691 78 1HG ARG 9 2HG ARG 9 -0.648 12.801 7.695 79 2HG ARG 9 1HG ARG 9 -1.929 13.398 6.638 80 1HD ARG 9 2HD ARG 9 -2.473 13.926 8.927 81 2HD ARG 9 1HD ARG 9 -3.594 12.704 8.329 82 HE ARG 9 HE ARG 9 -1.672 11.230 9.522 83 1HH1 ARG 9 1HH1 ARG 9 -3.583 13.950 10.585 84 2HH1 ARG 9 2HH1 ARG 9 -3.568 13.470 12.249 85 1HH2 ARG 9 1HH2 ARG 9 -1.653 10.596 11.711 86 2HH2 ARG 9 2HH2 ARG 9 -2.473 11.567 12.887 87 H GLY 10 H GLY 10 -0.264 10.496 4.824 88 1HA GLY 10 2HA GLY 10 -0.115 11.816 2.291 89 2HA GLY 10 1HA GLY 10 0.805 12.668 3.523 90 H ILE 11 H ILE 11 0.378 9.175 3.314 91 HA ILE 11 HA ILE 11 2.914 8.708 2.078 92 HB ILE 11 HB ILE 11 3.595 9.375 4.383 93 1HG1 ILE 11 2HG1 ILE 11 4.885 7.782 2.893 94 2HG1 ILE 11 1HG1 ILE 11 5.245 7.684 4.613 95 1HG2 ILE 11 1HG2 ILE 11 1.710 8.523 5.629 96 2HG2 ILE 11 2HG2 ILE 11 3.202 7.797 6.227 97 3HG2 ILE 11 3HG2 ILE 11 2.126 6.868 5.183 98 1HD1 ILE 11 1HD1 ILE 11 4.942 5.499 4.434 99 2HD1 ILE 11 2HD1 ILE 11 4.270 5.658 2.812 100 3HD1 ILE 11 3HD1 ILE 11 3.223 5.825 4.221 101 H CYS 12 H CYS 12 2.926 6.749 1.148 102 HA CYS 12 HA CYS 12 0.643 5.017 1.588 103 1HB CYS 12 2HB CYS 12 2.762 5.253 -0.500 104 2HB CYS 12 1HB CYS 12 1.928 3.713 -0.320 105 H TYR 13 H TYR 13 0.736 3.622 3.201 106 HA TYR 13 HA TYR 13 3.289 2.452 3.981 107 1HB TYR 13 2HB TYR 13 0.574 2.608 5.251 108 2HB TYR 13 1HB TYR 13 1.749 1.425 5.815 109 HD1 TYR 13 1HD TYR 13 0.599 4.763 6.119 110 HD2 TYR 13 2HD TYR 13 4.084 2.349 6.480 111 HE1 TYR 13 1HE TYR 13 1.633 6.480 7.542 112 HE2 TYR 13 2HE TYR 13 5.130 4.059 7.904 113 HH TYR 13 HH TYR 13 3.793 7.204 8.282 114 H ARG 14 H ARG 14 3.354 0.120 4.495 115 HA ARG 14 HA ARG 14 1.548 -1.543 2.914 116 1HB ARG 14 2HB ARG 14 3.419 -1.031 1.415 117 2HB ARG 14 1HB ARG 14 4.559 -1.593 2.629 118 1HG ARG 14 2HG ARG 14 4.262 -3.275 0.930 119 2HG ARG 14 1HG ARG 14 3.601 -3.850 2.461 120 1HD ARG 14 2HD ARG 14 1.453 -2.598 1.268 121 2HD ARG 14 1HD ARG 14 2.278 -3.368 -0.086 122 HE ARG 14 HE ARG 14 1.861 -5.070 2.211 123 1HH1 ARG 14 1HH1 ARG 14 0.575 -3.948 -0.835 124 2HH1 ARG 14 2HH1 ARG 14 -0.454 -5.325 -1.049 125 1HH2 ARG 14 1HH2 ARG 14 0.512 -6.878 1.930 126 2HH2 ARG 14 2HH2 ARG 14 -0.489 -6.988 0.521 127 H ARG 15 H ARG 15 0.970 -1.846 5.267 128 HA ARG 15 HA ARG 15 1.772 -4.361 6.160 129 1HB ARG 15 2HB ARG 15 2.976 -3.649 8.268 130 2HB ARG 15 1HB ARG 15 3.893 -3.494 6.775 131 1HG ARG 15 2HG ARG 15 4.343 -1.417 7.414 132 2HG ARG 15 1HG ARG 15 2.660 -1.037 7.040 133 1HD ARG 15 2HD ARG 15 3.102 -0.264 9.253 134 2HD ARG 15 1HD ARG 15 2.079 -1.694 9.381 135 HE ARG 15 HE ARG 15 3.791 -2.788 10.443 136 1HH1 ARG 15 1HH1 ARG 15 5.037 0.120 8.971 137 2HH1 ARG 15 2HH1 ARG 15 6.582 -0.003 9.742 138 1HH2 ARG 15 1HH2 ARG 15 5.823 -2.952 11.457 139 2HH2 ARG 15 2HH2 ARG 15 7.029 -1.746 11.153 140 H CYS 16 H CYS 16 0.196 -5.108 7.440 141 HA CYS 16 HA CYS 16 -1.924 -3.382 8.258 142 1HB CYS 16 2HB CYS 16 -1.571 -6.190 7.931 143 2HB CYS 16 1HB CYS 16 -2.139 -5.912 9.566 144 H ARG 17 H ARG 17 -2.648 -4.503 10.756 145 HA ARG 17 HA ARG 17 -0.607 -4.506 12.662 146 1HB ARG 17 2HB ARG 17 -1.535 -1.852 11.829 147 2HB ARG 17 1HB ARG 17 -1.636 -2.111 13.566 148 1HG ARG 17 2HG ARG 17 0.575 -1.994 13.826 149 2HG ARG 17 1HG ARG 17 0.888 -3.006 12.415 150 1HD ARG 17 2HD ARG 17 1.824 -0.901 11.914 151 2HD ARG 17 1HD ARG 17 0.315 -0.984 11.005 152 HE ARG 17 HE ARG 17 -0.053 0.250 13.544 153 1HH1 ARG 17 1HH1 ARG 17 1.119 0.829 10.308 154 2HH1 ARG 17 2HH1 ARG 17 0.815 2.532 10.369 155 1HH2 ARG 17 1HH2 ARG 17 -0.453 2.490 13.626 156 2HH2 ARG 17 2HH2 ARG 17 -0.076 3.476 12.253 Start of MODEL 6 1 1H LYS 1 1HT LYS 1 -7.154 -8.535 -5.808 2 2H LYS 1 2HT LYS 1 -8.723 -8.254 -5.171 3 3H LYS 1 3HT LYS 1 -7.385 -8.440 -4.112 4 HA LYS 1 HA LYS 1 -7.894 -6.245 -5.992 5 1HB LYS 1 2HB LYS 1 -8.414 -6.756 -3.179 6 2HB LYS 1 1HB LYS 1 -7.453 -5.304 -3.411 7 1HG LYS 1 2HG LYS 1 -9.485 -5.151 -5.318 8 2HG LYS 1 1HG LYS 1 -10.262 -5.732 -3.844 9 1HD LYS 1 2HD LYS 1 -10.295 -3.296 -3.940 10 2HD LYS 1 1HD LYS 1 -9.293 -3.858 -2.599 11 1HE LYS 1 2HE LYS 1 -8.345 -1.960 -3.972 12 2HE LYS 1 1HE LYS 1 -7.295 -3.358 -3.753 13 1HZ LYS 1 1HZ LYS 1 -7.492 -3.965 -5.930 14 2HZ LYS 1 2HZ LYS 1 -7.627 -2.286 -6.095 15 3HZ LYS 1 3HZ LYS 1 -9.014 -3.254 -6.126 16 H TRP 2 H TRP 2 -5.912 -6.529 -3.118 17 HA TRP 2 HA TRP 2 -3.405 -6.800 -4.298 18 1HB TRP 2 2HB TRP 2 -4.530 -4.193 -4.667 19 2HB TRP 2 1HB TRP 2 -3.162 -4.056 -3.571 20 HD1 TRP 2 HD TRP 2 -3.219 -6.603 -6.442 21 HE1 TRP 2 1HE TRP 2 -1.371 -5.981 -8.123 22 HE3 TRP 2 3HE TRP 2 -1.751 -2.139 -4.425 23 HZ2 TRP 2 2HZ TRP 2 0.463 -3.879 -8.540 24 HZ3 TRP 2 3HZ TRP 2 0.058 -0.885 -5.528 25 HH2 TRP 2 HH TRP 2 1.141 -1.740 -7.542 26 H CYS 3 H CYS 3 -1.864 -5.106 -2.639 27 HA CYS 3 HA CYS 3 -1.777 -6.574 -0.274 28 1HB CYS 3 2HB CYS 3 -0.174 -4.692 -1.462 29 2HB CYS 3 1HB CYS 3 -0.744 -3.837 -0.035 30 H PHE 4 H PHE 4 -1.554 -4.745 1.810 31 HA PHE 4 HA PHE 4 -4.227 -3.562 2.056 32 1HB PHE 4 2HB PHE 4 -3.776 -5.960 3.158 33 2HB PHE 4 1HB PHE 4 -3.136 -4.948 4.449 34 HD1 PHE 4 1HD PHE 4 -4.584 -3.514 5.739 35 HD2 PHE 4 2HD PHE 4 -6.128 -5.932 2.597 36 HE1 PHE 4 1HE PHE 4 -6.867 -3.135 6.574 37 HE2 PHE 4 2HE PHE 4 -8.412 -5.559 3.426 38 HZ PHE 4 HZ PHE 4 -8.785 -4.159 5.418 39 H ARG 5 H ARG 5 -1.644 -2.346 1.600 40 HA ARG 5 HA ARG 5 -0.665 -1.255 4.045 41 1HB ARG 5 2HB ARG 5 -0.223 -0.617 1.156 42 2HB ARG 5 1HB ARG 5 0.434 0.414 2.417 43 1HG ARG 5 2HG ARG 5 1.040 -2.498 1.971 44 2HG ARG 5 1HG ARG 5 2.116 -1.127 1.691 45 1HD ARG 5 2HD ARG 5 1.238 -0.904 4.351 46 2HD ARG 5 1HD ARG 5 1.633 -2.604 4.110 47 HE ARG 5 HE ARG 5 3.687 -0.959 3.073 48 1HH1 ARG 5 1HH1 ARG 5 2.350 -2.086 6.093 49 2HH1 ARG 5 2HH1 ARG 5 3.850 -1.953 6.949 50 1HH2 ARG 5 1HH2 ARG 5 5.660 -0.781 4.197 51 2HH2 ARG 5 2HH2 ARG 5 5.729 -1.211 5.874 52 H VAL 6 H VAL 6 -1.956 0.502 1.299 53 HA VAL 6 HA VAL 6 -3.793 1.959 1.218 54 HB VAL 6 HB VAL 6 -3.472 2.378 4.195 55 1HG1 VAL 6 1HG1 VAL 6 -5.763 3.352 3.964 56 2HG1 VAL 6 2HG1 VAL 6 -5.561 3.259 2.214 57 3HG1 VAL 6 3HG1 VAL 6 -4.488 4.278 3.174 58 1HG2 VAL 6 1HG2 VAL 6 -4.786 0.619 4.615 59 2HG2 VAL 6 2HG2 VAL 6 -4.435 0.100 2.966 60 3HG2 VAL 6 3HG2 VAL 6 -5.894 1.032 3.305 61 H CYS 7 H CYS 7 -3.508 3.964 0.477 62 HA CYS 7 HA CYS 7 -1.153 5.440 1.446 63 1HB CYS 7 2HB CYS 7 -2.306 5.160 -1.315 64 2HB CYS 7 1HB CYS 7 -1.265 6.516 -0.896 65 H TYR 8 H TYR 8 -1.878 6.940 2.795 66 HA TYR 8 HA TYR 8 -3.511 9.068 1.794 67 1HB TYR 8 2HB TYR 8 -4.607 7.143 3.830 68 2HB TYR 8 1HB TYR 8 -5.137 8.822 3.798 69 HD1 TYR 8 1HD TYR 8 -6.184 5.741 2.914 70 HD2 TYR 8 2HD TYR 8 -5.519 9.531 1.096 71 HE1 TYR 8 1HE TYR 8 -7.818 5.183 1.162 72 HE2 TYR 8 2HE TYR 8 -7.151 8.982 -0.659 73 HH TYR 8 HH TYR 8 -8.058 6.258 -1.541 74 H ARG 9 H ARG 9 -3.772 10.807 3.473 75 HA ARG 9 HA ARG 9 -2.869 12.222 5.007 76 1HB ARG 9 2HB ARG 9 -1.753 9.719 6.286 77 2HB ARG 9 1HB ARG 9 -1.947 11.287 7.056 78 1HG ARG 9 2HG ARG 9 -4.067 10.881 7.572 79 2HG ARG 9 1HG ARG 9 -4.437 10.322 5.940 80 1HD ARG 9 2HD ARG 9 -2.803 8.398 7.324 81 2HD ARG 9 1HD ARG 9 -4.237 8.784 8.273 82 HE ARG 9 HE ARG 9 -4.139 7.421 5.723 83 1HH1 ARG 9 1HH1 ARG 9 -6.132 9.106 8.043 84 2HH1 ARG 9 2HH1 ARG 9 -7.605 8.387 7.486 85 1HH2 ARG 9 1HH2 ARG 9 -6.081 6.483 4.984 86 2HH2 ARG 9 2HH2 ARG 9 -7.576 6.900 5.750 87 H GLY 10 H GLY 10 -0.226 11.582 6.403 88 1HA GLY 10 2HA GLY 10 1.443 12.553 4.224 89 2HA GLY 10 1HA GLY 10 1.860 12.539 5.930 90 H ILE 11 H ILE 11 0.601 9.620 4.572 91 HA ILE 11 HA ILE 11 3.242 8.549 4.015 92 HB ILE 11 HB ILE 11 2.776 8.216 6.478 93 1HG1 ILE 11 2HG1 ILE 11 3.618 5.927 6.484 94 2HG1 ILE 11 1HG1 ILE 11 3.091 5.708 4.817 95 1HG2 ILE 11 1HG2 ILE 11 0.288 7.466 5.674 96 2HG2 ILE 11 2HG2 ILE 11 0.995 7.099 7.247 97 3HG2 ILE 11 3HG2 ILE 11 1.059 5.904 5.952 98 1HD1 ILE 11 1HD1 ILE 11 4.972 6.571 4.044 99 2HD1 ILE 11 2HD1 ILE 11 5.581 6.565 5.700 100 3HD1 ILE 11 3HD1 ILE 11 4.797 8.007 5.052 101 H CYS 12 H CYS 12 3.228 6.976 2.480 102 HA CYS 12 HA CYS 12 0.665 5.755 1.764 103 1HB CYS 12 2HB CYS 12 0.649 7.442 0.171 104 2HB CYS 12 1HB CYS 12 2.400 7.464 0.024 105 H TYR 13 H TYR 13 0.802 3.647 1.402 106 HA TYR 13 HA TYR 13 3.274 2.467 0.416 107 1HB TYR 13 2HB TYR 13 2.032 1.735 3.073 108 2HB TYR 13 1HB TYR 13 3.209 0.729 2.236 109 HD1 TYR 13 1HD TYR 13 2.868 3.028 4.773 110 HD2 TYR 13 2HD TYR 13 5.365 2.195 1.433 111 HE1 TYR 13 1HE TYR 13 4.691 4.298 5.829 112 HE2 TYR 13 2HE TYR 13 7.196 3.462 2.477 113 HH TYR 13 HH TYR 13 7.375 5.355 4.203 114 H ARG 14 H ARG 14 3.006 0.304 -0.373 115 HA ARG 14 HA ARG 14 0.558 -1.087 -0.333 116 1HB ARG 14 2HB ARG 14 0.196 1.056 -1.842 117 2HB ARG 14 1HB ARG 14 0.988 0.056 -3.051 118 1HG ARG 14 2HG ARG 14 -1.193 -0.464 -3.454 119 2HG ARG 14 1HG ARG 14 -0.789 -1.718 -2.280 120 1HD ARG 14 2HD ARG 14 -1.571 0.316 -0.652 121 2HD ARG 14 1HD ARG 14 -2.613 0.571 -2.051 122 HE ARG 14 HE ARG 14 -2.584 -2.157 -1.223 123 1HH1 ARG 14 1HH1 ARG 14 -3.959 0.969 -0.506 124 2HH1 ARG 14 2HH1 ARG 14 -5.379 0.313 0.236 125 1HH2 ARG 14 1HH2 ARG 14 -4.450 -3.023 -0.252 126 2HH2 ARG 14 2HH2 ARG 14 -5.658 -1.955 0.381 127 H ARG 15 H ARG 15 2.037 -2.765 0.065 128 HA ARG 15 HA ARG 15 3.971 -3.462 -1.977 129 1HB ARG 15 2HB ARG 15 3.174 -4.822 0.604 130 2HB ARG 15 1HB ARG 15 4.436 -5.413 -0.464 131 1HG ARG 15 2HG ARG 15 5.775 -4.235 0.888 132 2HG ARG 15 1HG ARG 15 5.269 -2.881 -0.121 133 1HD ARG 15 2HD ARG 15 5.142 -2.532 2.384 134 2HD ARG 15 1HD ARG 15 3.687 -2.157 1.464 135 HE ARG 15 HE ARG 15 2.599 -3.864 2.540 136 1HH1 ARG 15 1HH1 ARG 15 6.028 -4.156 3.111 137 2HH1 ARG 15 2HH1 ARG 15 5.852 -5.408 4.295 138 1HH2 ARG 15 1HH2 ARG 15 2.363 -5.511 4.094 139 2HH2 ARG 15 2HH2 ARG 15 3.769 -6.179 4.853 140 H CYS 16 H CYS 16 3.365 -6.438 -1.333 141 HA CYS 16 HA CYS 16 2.434 -8.129 -2.546 142 1HB CYS 16 2HB CYS 16 -0.106 -6.548 -2.163 143 2HB CYS 16 1HB CYS 16 0.053 -8.292 -2.347 144 H ARG 17 H ARG 17 3.487 -6.005 -4.163 145 HA ARG 17 HA ARG 17 1.799 -5.181 -6.224 146 1HB ARG 17 2HB ARG 17 4.310 -4.602 -5.607 147 2HB ARG 17 1HB ARG 17 4.651 -5.835 -6.813 148 1HG ARG 17 2HG ARG 17 2.791 -3.574 -7.421 149 2HG ARG 17 1HG ARG 17 4.541 -3.376 -7.548 150 1HD ARG 17 2HD ARG 17 3.322 -5.751 -8.837 151 2HD ARG 17 1HD ARG 17 3.048 -4.183 -9.594 152 HE ARG 17 HE ARG 17 5.472 -5.682 -9.584 153 1HH1 ARG 17 1HH1 ARG 17 4.193 -2.436 -9.625 154 2HH1 ARG 17 2HH1 ARG 17 5.585 -1.764 -10.405 155 1HH2 ARG 17 1HH2 ARG 17 7.303 -4.801 -10.610 156 2HH2 ARG 17 2HH2 ARG 17 7.351 -3.106 -10.966 Start of MODEL 7 1 1H LYS 1 1HT LYS 1 -7.004 -8.701 10.988 2 2H LYS 1 2HT LYS 1 -8.188 -9.678 10.218 3 3H LYS 1 3HT LYS 1 -7.241 -8.583 9.295 4 HA LYS 1 HA LYS 1 -6.266 -10.946 10.739 5 1HB LYS 1 2HB LYS 1 -7.638 -11.345 8.685 6 2HB LYS 1 1HB LYS 1 -6.472 -10.389 7.781 7 1HG LYS 1 2HG LYS 1 -4.843 -12.193 8.981 8 2HG LYS 1 1HG LYS 1 -6.306 -13.151 8.746 9 1HD LYS 1 2HD LYS 1 -5.247 -11.493 6.497 10 2HD LYS 1 1HD LYS 1 -4.487 -13.040 6.872 11 1HE LYS 1 2HE LYS 1 -6.051 -13.919 5.532 12 2HE LYS 1 1HE LYS 1 -7.141 -13.688 6.898 13 1HZ LYS 1 1HZ LYS 1 -8.200 -12.715 5.068 14 2HZ LYS 1 2HZ LYS 1 -6.792 -11.951 4.528 15 3HZ LYS 1 3HZ LYS 1 -7.563 -11.407 5.932 16 H TRP 2 H TRP 2 -5.381 -8.776 8.110 17 HA TRP 2 HA TRP 2 -3.135 -7.638 9.320 18 1HB TRP 2 2HB TRP 2 -2.593 -10.251 8.815 19 2HB TRP 2 1HB TRP 2 -2.061 -9.516 7.305 20 HD1 TRP 2 HD TRP 2 -1.032 -6.769 8.866 21 HE1 TRP 2 1HE TRP 2 1.246 -6.899 10.056 22 HE3 TRP 2 3HE TRP 2 -0.639 -11.847 9.314 23 HZ2 TRP 2 2HZ TRP 2 2.979 -8.891 11.055 24 HZ3 TRP 2 3HZ TRP 2 1.361 -12.784 10.399 25 HH2 TRP 2 HH TRP 2 3.131 -11.335 11.250 26 H CYS 3 H CYS 3 -1.467 -7.661 6.874 27 HA CYS 3 HA CYS 3 -1.263 -6.603 4.869 28 1HB CYS 3 2HB CYS 3 -3.959 -7.604 4.811 29 2HB CYS 3 1HB CYS 3 -3.912 -6.014 4.060 30 H PHE 4 H PHE 4 -0.763 -4.529 4.541 31 HA PHE 4 HA PHE 4 -2.520 -2.414 5.491 32 1HB PHE 4 2HB PHE 4 -0.624 -1.284 6.679 33 2HB PHE 4 1HB PHE 4 -1.172 -2.767 7.452 34 HD1 PHE 4 1HD PHE 4 0.131 -4.939 6.632 35 HD2 PHE 4 2HD PHE 4 1.634 -0.960 6.465 36 HE1 PHE 4 1HE PHE 4 2.429 -5.813 6.582 37 HE2 PHE 4 2HE PHE 4 3.934 -1.827 6.413 38 HZ PHE 4 HZ PHE 4 4.336 -4.257 6.473 39 H ARG 5 H ARG 5 -2.698 -2.114 3.183 40 HA ARG 5 HA ARG 5 -0.431 -0.580 2.107 41 1HB ARG 5 2HB ARG 5 -0.434 -2.778 1.035 42 2HB ARG 5 1HB ARG 5 -2.120 -2.569 0.581 43 1HG ARG 5 2HG ARG 5 -0.924 -0.336 -0.479 44 2HG ARG 5 1HG ARG 5 0.300 -1.586 -0.702 45 1HD ARG 5 2HD ARG 5 -0.841 -2.446 -2.402 46 2HD ARG 5 1HD ARG 5 -2.265 -2.652 -1.381 47 HE ARG 5 HE ARG 5 -2.344 -0.028 -2.024 48 1HH1 ARG 5 1HH1 ARG 5 -2.044 -2.937 -3.927 49 2HH1 ARG 5 2HH1 ARG 5 -2.842 -2.265 -5.308 50 1HH2 ARG 5 1HH2 ARG 5 -3.394 0.858 -3.842 51 2HH2 ARG 5 2HH2 ARG 5 -3.608 -0.110 -5.260 52 H VAL 6 H VAL 6 -1.080 1.447 1.903 53 HA VAL 6 HA VAL 6 -3.152 2.261 0.219 54 HB VAL 6 HB VAL 6 -4.630 1.411 2.001 55 1HG1 VAL 6 1HG1 VAL 6 -4.497 3.295 4.012 56 2HG1 VAL 6 2HG1 VAL 6 -2.806 2.918 3.685 57 3HG1 VAL 6 3HG1 VAL 6 -3.930 1.627 4.106 58 1HG2 VAL 6 1HG2 VAL 6 -5.935 3.532 2.326 59 2HG2 VAL 6 2HG2 VAL 6 -5.502 3.166 0.655 60 3HG2 VAL 6 3HG2 VAL 6 -4.600 4.388 1.554 61 H CYS 7 H CYS 7 -3.165 4.500 -0.099 62 HA CYS 7 HA CYS 7 -0.949 5.892 1.219 63 1HB CYS 7 2HB CYS 7 -2.388 6.415 -1.383 64 2HB CYS 7 1HB CYS 7 -1.194 7.514 -0.701 65 H TYR 8 H TYR 8 -1.576 6.980 2.954 66 HA TYR 8 HA TYR 8 -3.471 9.119 2.695 67 1HB TYR 8 2HB TYR 8 -4.115 6.719 4.407 68 2HB TYR 8 1HB TYR 8 -4.827 8.302 4.699 69 HD1 TYR 8 1HD TYR 8 -5.597 5.278 3.406 70 HD2 TYR 8 2HD TYR 8 -5.608 9.362 2.216 71 HE1 TYR 8 1HE TYR 8 -7.348 4.784 1.753 72 HE2 TYR 8 2HE TYR 8 -7.361 8.881 0.559 73 HH TYR 8 HH TYR 8 -9.304 6.624 0.539 74 H ARG 9 H ARG 9 -3.679 10.322 4.819 75 HA ARG 9 HA ARG 9 -2.733 11.414 6.568 76 1HB ARG 9 2HB ARG 9 -1.698 8.648 6.899 77 2HB ARG 9 1HB ARG 9 -0.915 9.919 7.829 78 1HG ARG 9 2HG ARG 9 -2.568 9.088 9.245 79 2HG ARG 9 1HG ARG 9 -3.262 10.571 8.586 80 1HD ARG 9 2HD ARG 9 -4.843 8.650 8.636 81 2HD ARG 9 1HD ARG 9 -4.593 9.330 7.029 82 HE ARG 9 HE ARG 9 -3.652 7.347 6.369 83 1HH1 ARG 9 1HH1 ARG 9 -3.872 7.398 9.851 84 2HH1 ARG 9 2HH1 ARG 9 -3.423 5.735 10.028 85 1HH2 ARG 9 1HH2 ARG 9 -3.060 5.160 6.601 86 2HH2 ARG 9 2HH2 ARG 9 -2.962 4.465 8.184 87 H GLY 10 H GLY 10 -1.254 10.970 3.797 88 1HA GLY 10 2HA GLY 10 0.384 12.557 3.060 89 2HA GLY 10 1HA GLY 10 1.107 12.494 4.657 90 H ILE 11 H ILE 11 0.827 9.451 4.537 91 HA ILE 11 HA ILE 11 3.265 9.042 2.945 92 HB ILE 11 HB ILE 11 4.071 7.579 4.470 93 1HG1 ILE 11 2HG1 ILE 11 2.399 5.849 4.138 94 2HG1 ILE 11 1HG1 ILE 11 2.719 6.048 5.855 95 1HG2 ILE 11 1HG2 ILE 11 3.897 9.322 5.954 96 2HG2 ILE 11 2HG2 ILE 11 3.066 8.025 6.818 97 3HG2 ILE 11 3HG2 ILE 11 2.134 9.264 5.982 98 1HD1 ILE 11 1HD1 ILE 11 0.276 6.661 4.300 99 2HD1 ILE 11 2HD1 ILE 11 0.654 7.674 5.694 100 3HD1 ILE 11 3HD1 ILE 11 0.458 5.933 5.895 101 H CYS 12 H CYS 12 3.459 6.564 2.335 102 HA CYS 12 HA CYS 12 0.910 5.711 1.152 103 1HB CYS 12 2HB CYS 12 3.490 6.273 -0.175 104 2HB CYS 12 1HB CYS 12 2.690 4.785 -0.672 105 H TYR 13 H TYR 13 0.846 4.369 3.076 106 HA TYR 13 HA TYR 13 2.678 2.472 3.855 107 1HB TYR 13 2HB TYR 13 -0.232 2.825 4.120 108 2HB TYR 13 1HB TYR 13 0.316 1.160 4.282 109 HD1 TYR 13 1HD TYR 13 1.751 4.434 5.401 110 HD2 TYR 13 2HD TYR 13 0.364 0.567 6.507 111 HE1 TYR 13 1HE TYR 13 2.392 4.877 7.731 112 HE2 TYR 13 2HE TYR 13 1.001 1.000 8.841 113 HH TYR 13 HH TYR 13 1.321 3.486 10.231 114 H ARG 14 H ARG 14 3.413 0.587 3.079 115 HA ARG 14 HA ARG 14 1.952 -0.696 0.875 116 1HB ARG 14 2HB ARG 14 4.938 -0.234 0.964 117 2HB ARG 14 1HB ARG 14 4.082 -1.142 -0.273 118 1HG ARG 14 2HG ARG 14 3.462 0.703 -1.367 119 2HG ARG 14 1HG ARG 14 3.051 1.560 0.119 120 1HD ARG 14 2HD ARG 14 5.847 1.147 -0.933 121 2HD ARG 14 1HD ARG 14 4.901 2.619 -1.125 122 HE ARG 14 HE ARG 14 5.130 3.048 1.177 123 1HH1 ARG 14 1HH1 ARG 14 6.843 0.157 0.204 124 2HH1 ARG 14 2HH1 ARG 14 7.828 0.120 1.624 125 1HH2 ARG 14 1HH2 ARG 14 6.428 2.989 3.039 126 2HH2 ARG 14 2HH2 ARG 14 7.593 1.723 3.233 127 H ARG 15 H ARG 15 3.412 -2.869 0.398 128 HA ARG 15 HA ARG 15 3.942 -4.957 1.126 129 1HB ARG 15 2HB ARG 15 5.057 -3.185 3.146 130 2HB ARG 15 1HB ARG 15 4.602 -4.742 3.822 131 1HG ARG 15 2HG ARG 15 6.651 -5.355 3.160 132 2HG ARG 15 1HG ARG 15 5.887 -5.529 1.579 133 1HD ARG 15 2HD ARG 15 6.791 -2.810 2.208 134 2HD ARG 15 1HD ARG 15 8.085 -4.004 2.095 135 HE ARG 15 HE ARG 15 6.598 -2.907 -0.057 136 1HH1 ARG 15 1HH1 ARG 15 8.103 -5.861 1.031 137 2HH1 ARG 15 2HH1 ARG 15 8.367 -6.465 -0.571 138 1HH2 ARG 15 1HH2 ARG 15 6.944 -3.698 -2.165 139 2HH2 ARG 15 2HH2 ARG 15 7.709 -5.236 -2.386 140 H CYS 16 H CYS 16 3.153 -6.713 2.471 141 HA CYS 16 HA CYS 16 0.783 -6.085 4.072 142 1HB CYS 16 2HB CYS 16 0.805 -7.421 1.470 143 2HB CYS 16 1HB CYS 16 0.007 -8.368 2.721 144 H ARG 17 H ARG 17 -0.074 -8.220 5.083 145 HA ARG 17 HA ARG 17 0.287 -9.902 6.571 146 1HB ARG 17 2HB ARG 17 2.674 -10.590 4.852 147 2HB ARG 17 1HB ARG 17 1.798 -11.668 5.930 148 1HG ARG 17 2HG ARG 17 0.030 -10.482 3.982 149 2HG ARG 17 1HG ARG 17 1.381 -11.312 3.207 150 1HD ARG 17 2HD ARG 17 -0.611 -12.755 3.604 151 2HD ARG 17 1HD ARG 17 0.872 -13.351 4.349 152 HE ARG 17 HE ARG 17 -0.115 -13.115 6.393 153 1HH1 ARG 17 1HH1 ARG 17 -1.902 -11.213 4.076 154 2HH1 ARG 17 2HH1 ARG 17 -3.164 -10.812 5.192 155 1HH2 ARG 17 1HH2 ARG 17 -1.775 -12.588 7.861 156 2HH2 ARG 17 2HH2 ARG 17 -3.092 -11.591 7.341 Start of MODEL 8 1 1H LYS 1 1HT LYS 1 -12.889 -5.168 0.941 2 2H LYS 1 2HT LYS 1 -13.163 -6.855 0.785 3 3H LYS 1 3HT LYS 1 -12.314 -6.005 -0.441 4 HA LYS 1 HA LYS 1 -11.379 -6.188 2.336 5 1HB LYS 1 2HB LYS 1 -10.978 -8.025 -0.017 6 2HB LYS 1 1HB LYS 1 -9.807 -7.936 1.290 7 1HG LYS 1 2HG LYS 1 -11.084 -9.133 2.679 8 2HG LYS 1 1HG LYS 1 -12.562 -8.297 2.195 9 1HD LYS 1 2HD LYS 1 -11.251 -10.269 0.359 10 2HD LYS 1 1HD LYS 1 -12.306 -10.820 1.662 11 1HE LYS 1 2HE LYS 1 -13.076 -8.835 -0.474 12 2HE LYS 1 1HE LYS 1 -13.490 -10.547 -0.489 13 1HZ LYS 1 1HZ LYS 1 -14.433 -9.906 1.879 14 2HZ LYS 1 2HZ LYS 1 -15.354 -9.728 0.471 15 3HZ LYS 1 3HZ LYS 1 -14.574 -8.388 1.146 16 H TRP 2 H TRP 2 -11.372 -3.850 0.855 17 HA TRP 2 HA TRP 2 -8.671 -3.670 -0.276 18 1HB TRP 2 2HB TRP 2 -9.506 -1.350 -0.991 19 2HB TRP 2 1HB TRP 2 -10.216 -2.745 -1.793 20 HD1 TRP 2 HD TRP 2 -12.773 -3.346 -1.178 21 HE1 TRP 2 1HE TRP 2 -14.672 -1.894 -0.226 22 HE3 TRP 2 3HE TRP 2 -9.996 0.570 0.587 23 HZ2 TRP 2 2HZ TRP 2 -14.957 0.582 1.097 24 HZ3 TRP 2 3HZ TRP 2 -11.162 2.440 1.682 25 HH2 TRP 2 HH TRP 2 -13.590 2.446 1.929 26 H CYS 3 H CYS 3 -9.123 -3.894 2.572 27 HA CYS 3 HA CYS 3 -8.454 -1.216 3.554 28 1HB CYS 3 2HB CYS 3 -10.156 -3.037 4.597 29 2HB CYS 3 1HB CYS 3 -8.684 -3.477 5.456 30 H PHE 4 H PHE 4 -6.508 -2.453 1.991 31 HA PHE 4 HA PHE 4 -4.303 -2.454 3.837 32 1HB PHE 4 2HB PHE 4 -5.326 -4.883 3.627 33 2HB PHE 4 1HB PHE 4 -4.413 -4.899 2.121 34 HD1 PHE 4 1HD PHE 4 -3.598 -3.427 5.441 35 HD2 PHE 4 2HD PHE 4 -2.605 -6.290 2.454 36 HE1 PHE 4 1HE PHE 4 -1.561 -4.014 6.689 37 HE2 PHE 4 2HE PHE 4 -0.565 -6.884 3.696 38 HZ PHE 4 HZ PHE 4 -0.042 -5.746 5.817 39 H ARG 5 H ARG 5 -2.316 -2.082 2.839 40 HA ARG 5 HA ARG 5 -0.901 -1.269 1.257 41 1HB ARG 5 2HB ARG 5 -2.636 -2.731 -0.736 42 2HB ARG 5 1HB ARG 5 -0.960 -2.241 -0.946 43 1HG ARG 5 2HG ARG 5 -1.087 -3.818 1.389 44 2HG ARG 5 1HG ARG 5 -1.997 -4.659 0.134 45 1HD ARG 5 2HD ARG 5 -0.149 -4.845 -1.258 46 2HD ARG 5 1HD ARG 5 0.698 -3.513 -0.474 47 HE ARG 5 HE ARG 5 0.267 -5.794 1.228 48 1HH1 ARG 5 1HH1 ARG 5 2.392 -4.329 -1.120 49 2HH1 ARG 5 2HH1 ARG 5 3.788 -5.203 -0.586 50 1HH2 ARG 5 1HH2 ARG 5 2.101 -6.942 1.932 51 2HH2 ARG 5 2HH2 ARG 5 3.623 -6.687 1.146 52 H VAL 6 H VAL 6 -1.771 0.817 1.769 53 HA VAL 6 HA VAL 6 -2.751 2.163 -0.591 54 HB VAL 6 HB VAL 6 -4.747 1.299 0.902 55 1HG1 VAL 6 1HG1 VAL 6 -4.575 3.965 2.185 56 2HG1 VAL 6 2HG1 VAL 6 -3.590 2.667 2.862 57 3HG1 VAL 6 3HG1 VAL 6 -5.340 2.477 2.748 58 1HG2 VAL 6 1HG2 VAL 6 -4.447 3.222 -1.039 59 2HG2 VAL 6 2HG2 VAL 6 -5.292 4.080 0.250 60 3HG2 VAL 6 3HG2 VAL 6 -5.978 2.601 -0.422 61 H CYS 7 H CYS 7 -3.394 4.631 0.540 62 HA CYS 7 HA CYS 7 -0.806 5.370 1.705 63 1HB CYS 7 2HB CYS 7 -1.786 6.334 -0.563 64 2HB CYS 7 1HB CYS 7 -2.617 7.428 0.539 65 H TYR 8 H TYR 8 -0.737 7.051 3.312 66 HA TYR 8 HA TYR 8 -3.243 7.404 4.809 67 1HB TYR 8 2HB TYR 8 -1.004 5.845 5.620 68 2HB TYR 8 1HB TYR 8 -1.066 7.268 6.651 69 HD1 TYR 8 1HD TYR 8 -1.847 6.484 8.699 70 HD2 TYR 8 2HD TYR 8 -3.866 5.333 5.135 71 HE1 TYR 8 1HE TYR 8 -3.614 5.430 10.046 72 HE2 TYR 8 2HE TYR 8 -5.638 4.278 6.473 73 HH TYR 8 HH TYR 8 -5.909 4.744 9.861 74 H ARG 9 H ARG 9 -3.653 9.460 5.232 75 HA ARG 9 HA ARG 9 -3.435 11.714 5.395 76 1HB ARG 9 2HB ARG 9 -0.775 11.059 6.672 77 2HB ARG 9 1HB ARG 9 -1.721 12.523 6.898 78 1HG ARG 9 2HG ARG 9 -3.043 11.575 8.431 79 2HG ARG 9 1HG ARG 9 -3.163 10.059 7.536 80 1HD ARG 9 2HD ARG 9 -0.866 10.941 9.280 81 2HD ARG 9 1HD ARG 9 -2.052 9.694 9.661 82 HE ARG 9 HE ARG 9 -0.653 9.164 7.226 83 1HH1 ARG 9 1HH1 ARG 9 -0.450 8.919 10.700 84 2HH1 ARG 9 2HH1 ARG 9 0.667 7.597 10.667 85 1HH2 ARG 9 1HH2 ARG 9 0.819 7.425 7.180 86 2HH2 ARG 9 2HH2 ARG 9 1.387 6.747 8.670 87 H GLY 10 H GLY 10 0.065 11.266 5.122 88 1HA GLY 10 2HA GLY 10 -0.063 12.629 2.504 89 2HA GLY 10 1HA GLY 10 1.171 12.978 3.706 90 H ILE 11 H ILE 11 1.676 10.306 4.509 91 HA ILE 11 HA ILE 11 3.267 9.437 2.222 92 HB ILE 11 HB ILE 11 4.357 9.695 4.435 93 1HG1 ILE 11 2HG1 ILE 11 5.561 7.561 4.413 94 2HG1 ILE 11 1HG1 ILE 11 4.286 6.836 3.441 95 1HG2 ILE 11 1HG2 ILE 11 3.911 7.939 6.156 96 2HG2 ILE 11 2HG2 ILE 11 2.485 7.473 5.226 97 3HG2 ILE 11 3HG2 ILE 11 2.594 9.089 5.921 98 1HD1 ILE 11 1HD1 ILE 11 5.300 7.506 1.597 99 2HD1 ILE 11 2HD1 ILE 11 6.595 8.196 2.575 100 3HD1 ILE 11 3HD1 ILE 11 5.205 9.186 2.128 101 H CYS 12 H CYS 12 3.375 7.103 1.705 102 HA CYS 12 HA CYS 12 0.735 5.866 2.046 103 1HB CYS 12 2HB CYS 12 2.759 5.398 -0.151 104 2HB CYS 12 1HB CYS 12 1.165 4.660 -0.042 105 H TYR 13 H TYR 13 0.620 4.133 3.284 106 HA TYR 13 HA TYR 13 2.978 2.399 3.498 107 1HB TYR 13 2HB TYR 13 1.540 3.823 5.654 108 2HB TYR 13 1HB TYR 13 1.921 2.137 5.981 109 HD1 TYR 13 1HD TYR 13 3.856 1.807 7.173 110 HD2 TYR 13 2HD TYR 13 3.672 5.077 4.457 111 HE1 TYR 13 1HE TYR 13 6.151 2.440 7.789 112 HE2 TYR 13 2HE TYR 13 5.967 5.719 5.065 113 HH TYR 13 HH TYR 13 7.457 5.228 7.402 114 H ARG 14 H ARG 14 2.493 0.199 4.180 115 HA ARG 14 HA ARG 14 0.176 -0.828 2.884 116 1HB ARG 14 2HB ARG 14 2.393 -2.035 4.506 117 2HB ARG 14 1HB ARG 14 0.994 -3.003 4.062 118 1HG ARG 14 2HG ARG 14 1.899 -3.401 2.087 119 2HG ARG 14 1HG ARG 14 1.878 -1.674 1.727 120 1HD ARG 14 2HD ARG 14 4.079 -3.226 3.082 121 2HD ARG 14 1HD ARG 14 4.121 -2.503 1.477 122 HE ARG 14 HE ARG 14 4.275 -0.367 2.464 123 1HH1 ARG 14 1HH1 ARG 14 4.286 -2.935 4.840 124 2HH1 ARG 14 2HH1 ARG 14 4.950 -1.939 6.087 125 1HH2 ARG 14 1HH2 ARG 14 5.146 0.934 4.112 126 2HH2 ARG 14 2HH2 ARG 14 5.437 0.253 5.677 127 H ARG 15 H ARG 15 -1.544 0.227 3.999 128 HA ARG 15 HA ARG 15 -2.462 -1.281 6.291 129 1HB ARG 15 2HB ARG 15 -1.108 1.077 6.787 130 2HB ARG 15 1HB ARG 15 -2.794 1.574 6.816 131 1HG ARG 15 2HG ARG 15 -1.938 0.958 9.036 132 2HG ARG 15 1HG ARG 15 -3.293 -0.049 8.524 133 1HD ARG 15 2HD ARG 15 -1.912 -1.890 8.098 134 2HD ARG 15 1HD ARG 15 -0.454 -0.901 8.062 135 HE ARG 15 HE ARG 15 -1.328 -0.596 10.597 136 1HH1 ARG 15 1HH1 ARG 15 -0.728 -3.407 8.617 137 2HH1 ARG 15 2HH1 ARG 15 -0.304 -4.416 9.959 138 1HH2 ARG 15 1HH2 ARG 15 -0.773 -1.922 12.363 139 2HH2 ARG 15 2HH2 ARG 15 -0.331 -3.574 12.085 140 H CYS 16 H CYS 16 -4.599 0.256 7.055 141 HA CYS 16 HA CYS 16 -6.423 -0.204 4.913 142 1HB CYS 16 2HB CYS 16 -6.636 0.812 7.714 143 2HB CYS 16 1HB CYS 16 -7.985 1.084 6.614 144 H ARG 17 H ARG 17 -8.156 1.616 4.533 145 HA ARG 17 HA ARG 17 -6.900 3.640 3.041 146 1HB ARG 17 2HB ARG 17 -9.403 2.598 3.104 147 2HB ARG 17 1HB ARG 17 -9.681 4.139 3.903 148 1HG ARG 17 2HG ARG 17 -8.370 5.111 1.872 149 2HG ARG 17 1HG ARG 17 -8.814 3.585 1.106 150 1HD ARG 17 2HD ARG 17 -10.801 4.454 0.631 151 2HD ARG 17 1HD ARG 17 -11.141 4.536 2.359 152 HE ARG 17 HE ARG 17 -9.598 6.761 1.452 153 1HH1 ARG 17 1HH1 ARG 17 -12.839 5.477 1.636 154 2HH1 ARG 17 2HH1 ARG 17 -13.593 7.036 1.587 155 1HH2 ARG 17 1HH2 ARG 17 -10.589 8.812 1.387 156 2HH2 ARG 17 2HH2 ARG 17 -12.316 8.928 1.445 Start of MODEL 9 1 1H LYS 1 1HT LYS 1 7.697 -8.477 -0.565 2 2H LYS 1 2HT LYS 1 8.956 -8.828 0.548 3 3H LYS 1 3HT LYS 1 7.816 -7.596 0.901 4 HA LYS 1 HA LYS 1 7.048 -10.395 0.488 5 1HB LYS 1 2HB LYS 1 8.713 -9.437 2.512 6 2HB LYS 1 1HB LYS 1 7.118 -9.486 3.251 7 1HG LYS 1 2HG LYS 1 7.288 -11.900 1.926 8 2HG LYS 1 1HG LYS 1 8.918 -11.650 2.555 9 1HD LYS 1 2HD LYS 1 6.367 -11.537 4.164 10 2HD LYS 1 1HD LYS 1 7.524 -12.870 4.153 11 1HE LYS 1 2HE LYS 1 7.893 -10.082 5.211 12 2HE LYS 1 1HE LYS 1 8.015 -11.609 6.085 13 1HZ LYS 1 1HZ LYS 1 10.203 -11.223 5.761 14 2HZ LYS 1 2HZ LYS 1 9.966 -10.283 4.375 15 3HZ LYS 1 3HZ LYS 1 9.901 -11.970 4.272 16 H TRP 2 H TRP 2 5.755 -8.038 -0.455 17 HA TRP 2 HA TRP 2 3.691 -7.088 -0.508 18 1HB TRP 2 2HB TRP 2 2.529 -9.074 -0.434 19 2HB TRP 2 1HB TRP 2 3.243 -9.562 1.097 20 HD1 TRP 2 HD TRP 2 0.200 -7.889 -0.362 21 HE1 TRP 2 1HE TRP 2 -1.446 -7.302 1.528 22 HE3 TRP 2 3HE TRP 2 3.222 -8.804 3.657 23 HZ2 TRP 2 2HZ TRP 2 -1.457 -7.233 4.353 24 HZ3 TRP 2 3HZ TRP 2 2.324 -8.450 5.917 25 HH2 TRP 2 HH TRP 2 0.029 -7.681 6.257 26 H CYS 3 H CYS 3 2.981 -5.248 0.379 27 HA CYS 3 HA CYS 3 3.643 -4.746 3.203 28 1HB CYS 3 2HB CYS 3 4.206 -3.241 0.916 29 2HB CYS 3 1HB CYS 3 2.883 -2.385 1.691 30 H PHE 4 H PHE 4 2.017 -2.483 3.552 31 HA PHE 4 HA PHE 4 -0.619 -3.762 3.672 32 1HB PHE 4 2HB PHE 4 -0.547 -1.278 5.112 33 2HB PHE 4 1HB PHE 4 -0.786 -2.905 5.735 34 HD1 PHE 4 1HD PHE 4 0.991 -4.099 6.796 35 HD2 PHE 4 2HD PHE 4 1.689 -0.281 5.053 36 HE1 PHE 4 1HE PHE 4 3.163 -3.976 7.946 37 HE2 PHE 4 2HE PHE 4 3.863 -0.151 6.197 38 HZ PHE 4 HZ PHE 4 4.603 -2.000 7.647 39 H ARG 5 H ARG 5 -1.031 -3.328 1.430 40 HA ARG 5 HA ARG 5 -0.943 -0.950 0.092 41 1HB ARG 5 2HB ARG 5 -2.050 -3.443 -0.375 42 2HB ARG 5 1HB ARG 5 -3.439 -2.367 -0.441 43 1HG ARG 5 2HG ARG 5 -0.923 -2.157 -2.080 44 2HG ARG 5 1HG ARG 5 -2.519 -2.655 -2.645 45 1HD ARG 5 2HD ARG 5 -3.178 -0.542 -2.908 46 2HD ARG 5 1HD ARG 5 -2.602 -0.087 -1.307 47 HE ARG 5 HE ARG 5 -0.510 -0.380 -3.260 48 1HH1 ARG 5 1HH1 ARG 5 -2.851 1.807 -1.875 49 2HH1 ARG 5 2HH1 ARG 5 -1.973 3.230 -2.325 50 1HH2 ARG 5 1HH2 ARG 5 0.643 1.492 -3.857 51 2HH2 ARG 5 2HH2 ARG 5 0.009 3.052 -3.453 52 H VAL 6 H VAL 6 -1.396 0.847 1.306 53 HA VAL 6 HA VAL 6 -3.894 1.970 1.227 54 HB VAL 6 HB VAL 6 -3.638 0.140 3.500 55 1HG1 VAL 6 1HG1 VAL 6 -3.166 2.115 4.790 56 2HG1 VAL 6 2HG1 VAL 6 -4.829 1.619 5.102 57 3HG1 VAL 6 3HG1 VAL 6 -4.502 2.981 4.032 58 1HG2 VAL 6 1HG2 VAL 6 -5.488 0.659 1.598 59 2HG2 VAL 6 2HG2 VAL 6 -6.169 1.536 2.967 60 3HG2 VAL 6 3HG2 VAL 6 -5.827 -0.188 3.108 61 H CYS 7 H CYS 7 -3.962 4.071 2.194 62 HA CYS 7 HA CYS 7 -1.968 5.020 3.935 63 1HB CYS 7 2HB CYS 7 -0.478 6.092 2.534 64 2HB CYS 7 1HB CYS 7 -0.759 4.556 1.732 65 H TYR 8 H TYR 8 -1.726 7.600 3.430 66 HA TYR 8 HA TYR 8 -4.117 8.886 2.563 67 1HB TYR 8 2HB TYR 8 -3.757 8.266 5.456 68 2HB TYR 8 1HB TYR 8 -4.414 9.843 5.032 69 HD1 TYR 8 1HD TYR 8 -5.187 6.452 5.651 70 HD2 TYR 8 2HD TYR 8 -6.429 9.820 3.368 71 HE1 TYR 8 1HE TYR 8 -7.411 5.441 5.380 72 HE2 TYR 8 2HE TYR 8 -8.656 8.819 3.092 73 HH TYR 8 HH TYR 8 -9.498 6.143 3.180 74 H ARG 9 H ARG 9 -4.025 11.267 3.807 75 HA ARG 9 HA ARG 9 -1.795 12.527 2.668 76 1HB ARG 9 2HB ARG 9 -3.832 13.752 2.970 77 2HB ARG 9 1HB ARG 9 -3.807 13.481 4.706 78 1HG ARG 9 2HG ARG 9 -1.388 14.785 3.946 79 2HG ARG 9 1HG ARG 9 -2.755 15.661 3.256 80 1HD ARG 9 2HD ARG 9 -2.390 14.908 6.154 81 2HD ARG 9 1HD ARG 9 -2.213 16.522 5.464 82 HE ARG 9 HE ARG 9 -4.733 15.870 4.785 83 1HH1 ARG 9 1HH1 ARG 9 -3.020 15.758 7.824 84 2HH1 ARG 9 2HH1 ARG 9 -4.438 16.028 8.777 85 1HH2 ARG 9 1HH2 ARG 9 -6.601 16.226 6.039 86 2HH2 ARG 9 2HH2 ARG 9 -6.471 16.293 7.765 87 H GLY 10 H GLY 10 0.035 11.379 3.520 88 1HA GLY 10 2HA GLY 10 1.436 12.696 5.507 89 2HA GLY 10 1HA GLY 10 0.641 11.342 6.300 90 H ILE 11 H ILE 11 0.794 9.654 3.929 91 HA ILE 11 HA ILE 11 3.228 9.224 2.798 92 HB ILE 11 HB ILE 11 4.221 9.141 5.041 93 1HG1 ILE 11 2HG1 ILE 11 5.342 6.968 4.867 94 2HG1 ILE 11 1HG1 ILE 11 4.088 6.400 3.768 95 1HG2 ILE 11 1HG2 ILE 11 3.434 7.912 6.777 96 2HG2 ILE 11 2HG2 ILE 11 2.808 6.634 5.734 97 3HG2 ILE 11 3HG2 ILE 11 1.918 8.151 5.905 98 1HD1 ILE 11 1HD1 ILE 11 4.775 8.374 2.290 99 2HD1 ILE 11 2HD1 ILE 11 5.843 6.973 2.368 100 3HD1 ILE 11 3HD1 ILE 11 6.227 8.429 3.287 101 H CYS 12 H CYS 12 3.366 7.092 1.796 102 HA CYS 12 HA CYS 12 0.940 5.486 2.151 103 1HB CYS 12 2HB CYS 12 2.232 6.242 -0.467 104 2HB CYS 12 1HB CYS 12 0.950 5.047 -0.305 105 H TYR 13 H TYR 13 1.125 3.349 2.243 106 HA TYR 13 HA TYR 13 3.842 2.247 1.965 107 1HB TYR 13 2HB TYR 13 1.581 1.062 3.577 108 2HB TYR 13 1HB TYR 13 3.287 0.632 3.637 109 HD1 TYR 13 1HD TYR 13 4.271 3.574 3.600 110 HD2 TYR 13 2HD TYR 13 1.366 1.510 5.923 111 HE1 TYR 13 1HE TYR 13 4.614 5.168 5.431 112 HE2 TYR 13 2HE TYR 13 1.698 3.104 7.765 113 HH TYR 13 HH TYR 13 2.518 5.331 8.145 114 H ARG 14 H ARG 14 4.204 0.711 0.493 115 HA ARG 14 HA ARG 14 2.216 -1.160 -0.349 116 1HB ARG 14 2HB ARG 14 2.354 -0.433 -2.791 117 2HB ARG 14 1HB ARG 14 1.344 0.537 -1.729 118 1HG ARG 14 2HG ARG 14 2.468 2.348 -2.308 119 2HG ARG 14 1HG ARG 14 3.952 1.638 -1.667 120 1HD ARG 14 2HD ARG 14 2.993 0.806 -4.365 121 2HD ARG 14 1HD ARG 14 3.781 2.374 -4.184 122 HE ARG 14 HE ARG 14 5.350 0.404 -2.941 123 1HH1 ARG 14 1HH1 ARG 14 4.369 1.431 -6.129 124 2HH1 ARG 14 2HH1 ARG 14 5.801 0.836 -6.898 125 1HH2 ARG 14 1HH2 ARG 14 7.236 -0.374 -3.950 126 2HH2 ARG 14 2HH2 ARG 14 7.430 -0.190 -5.661 127 H ARG 15 H ARG 15 3.163 -2.971 -1.107 128 HA ARG 15 HA ARG 15 4.805 -4.456 -1.633 129 1HB ARG 15 2HB ARG 15 6.200 -2.200 -3.062 130 2HB ARG 15 1HB ARG 15 6.229 -3.916 -3.448 131 1HG ARG 15 2HG ARG 15 3.531 -3.088 -3.550 132 2HG ARG 15 1HG ARG 15 4.486 -1.884 -4.419 133 1HD ARG 15 2HD ARG 15 4.915 -3.289 -6.108 134 2HD ARG 15 1HD ARG 15 5.268 -4.631 -5.020 135 HE ARG 15 HE ARG 15 2.582 -4.447 -4.887 136 1HH1 ARG 15 1HH1 ARG 15 4.808 -4.634 -7.570 137 2HH1 ARG 15 2HH1 ARG 15 3.684 -5.446 -8.606 138 1HH2 ARG 15 1HH2 ARG 15 1.104 -5.515 -6.249 139 2HH2 ARG 15 2HH2 ARG 15 1.580 -5.946 -7.858 140 H CYS 16 H CYS 16 5.486 -4.603 0.561 141 HA CYS 16 HA CYS 16 8.183 -4.440 1.028 142 1HB CYS 16 2HB CYS 16 8.084 -2.497 2.790 143 2HB CYS 16 1HB CYS 16 8.356 -2.132 1.092 144 H ARG 17 H ARG 17 8.698 -4.497 3.492 145 HA ARG 17 HA ARG 17 6.659 -6.217 4.708 146 1HB ARG 17 2HB ARG 17 9.553 -5.834 5.499 147 2HB ARG 17 1HB ARG 17 8.445 -7.034 6.150 148 1HG ARG 17 2HG ARG 17 9.457 -8.365 4.648 149 2HG ARG 17 1HG ARG 17 8.284 -7.645 3.544 150 1HD ARG 17 2HD ARG 17 10.007 -5.891 3.025 151 2HD ARG 17 1HD ARG 17 11.162 -6.850 3.949 152 HE ARG 17 HE ARG 17 10.138 -7.414 1.313 153 1HH1 ARG 17 1HH1 ARG 17 11.660 -8.746 4.159 154 2HH1 ARG 17 2HH1 ARG 17 12.347 -10.092 3.314 155 1HH2 ARG 17 1HH2 ARG 17 11.042 -9.184 0.202 156 2HH2 ARG 17 2HH2 ARG 17 11.996 -10.341 1.068 Start of MODEL 10 1 1H LYS 1 1HT LYS 1 2.781 -12.335 3.609 2 2H LYS 1 2HT LYS 1 3.764 -13.357 4.576 3 3H LYS 1 3HT LYS 1 4.153 -11.693 4.409 4 HA LYS 1 HA LYS 1 1.831 -12.867 5.765 5 1HB LYS 1 2HB LYS 1 3.866 -13.005 7.047 6 2HB LYS 1 1HB LYS 1 4.263 -11.332 6.680 7 1HG LYS 1 2HG LYS 1 3.114 -10.605 8.431 8 2HG LYS 1 1HG LYS 1 1.678 -11.500 7.932 9 1HD LYS 1 2HD LYS 1 4.006 -12.764 9.366 10 2HD LYS 1 1HD LYS 1 2.596 -12.104 10.198 11 1HE LYS 1 2HE LYS 1 2.369 -14.171 8.026 12 2HE LYS 1 1HE LYS 1 2.592 -14.603 9.722 13 1HZ LYS 1 1HZ LYS 1 0.566 -13.019 10.038 14 2HZ LYS 1 2HZ LYS 1 0.326 -14.620 9.546 15 3HZ LYS 1 3HZ LYS 1 0.276 -13.369 8.408 16 H TRP 2 H TRP 2 3.465 -9.758 5.861 17 HA TRP 2 HA TRP 2 0.936 -8.373 5.879 18 1HB TRP 2 2HB TRP 2 3.468 -7.842 6.903 19 2HB TRP 2 1HB TRP 2 3.279 -6.669 5.605 20 HD1 TRP 2 HD TRP 2 0.561 -7.901 8.076 21 HE1 TRP 2 1HE TRP 2 -0.389 -5.845 9.300 22 HE3 TRP 2 3HE TRP 2 3.624 -4.306 6.118 23 HZ2 TRP 2 2HZ TRP 2 0.098 -3.066 9.420 24 HZ3 TRP 2 3HZ TRP 2 3.316 -1.974 6.838 25 HH2 TRP 2 HH TRP 2 1.589 -1.369 8.456 26 H CYS 3 H CYS 3 -0.115 -8.048 4.033 27 HA CYS 3 HA CYS 3 1.268 -6.772 1.824 28 1HB CYS 3 2HB CYS 3 0.943 -9.520 1.750 29 2HB CYS 3 1HB CYS 3 -0.426 -8.927 0.817 30 H PHE 4 H PHE 4 -0.066 -5.018 2.482 31 HA PHE 4 HA PHE 4 -2.646 -5.032 1.189 32 1HB PHE 4 2HB PHE 4 -2.337 -4.924 4.147 33 2HB PHE 4 1HB PHE 4 -3.557 -3.894 3.406 34 HD1 PHE 4 1HD PHE 4 -4.576 -5.552 1.244 35 HD2 PHE 4 2HD PHE 4 -3.476 -6.623 5.213 36 HE1 PHE 4 1HE PHE 4 -6.131 -7.456 1.156 37 HE2 PHE 4 2HE PHE 4 -5.027 -8.531 5.132 38 HZ PHE 4 HZ PHE 4 -6.358 -8.950 3.102 39 H ARG 5 H ARG 5 -1.297 -2.991 3.705 40 HA ARG 5 HA ARG 5 -0.644 -0.815 3.752 41 1HB ARG 5 2HB ARG 5 -0.180 -1.230 0.804 42 2HB ARG 5 1HB ARG 5 0.399 0.135 1.741 43 1HG ARG 5 2HG ARG 5 1.299 -2.714 1.827 44 2HG ARG 5 1HG ARG 5 2.253 -1.250 1.583 45 1HD ARG 5 2HD ARG 5 2.774 -1.874 3.762 46 2HD ARG 5 1HD ARG 5 1.535 -0.638 3.977 47 HE ARG 5 HE ARG 5 0.173 -2.225 4.896 48 1HH1 ARG 5 1HH1 ARG 5 2.731 -3.831 3.148 49 2HH1 ARG 5 2HH1 ARG 5 2.287 -5.410 3.701 50 1HH2 ARG 5 1HH2 ARG 5 -0.413 -4.302 5.623 51 2HH2 ARG 5 2HH2 ARG 5 0.502 -5.679 5.105 52 H VAL 6 H VAL 6 -0.995 1.368 2.299 53 HA VAL 6 HA VAL 6 -3.358 1.696 0.861 54 HB VAL 6 HB VAL 6 -3.728 1.607 3.783 55 1HG1 VAL 6 1HG1 VAL 6 -4.946 3.870 2.201 56 2HG1 VAL 6 2HG1 VAL 6 -3.835 4.012 3.563 57 3HG1 VAL 6 3HG1 VAL 6 -5.458 3.370 3.812 58 1HG2 VAL 6 1HG2 VAL 6 -5.227 0.185 2.949 59 2HG2 VAL 6 2HG2 VAL 6 -5.128 0.895 1.338 60 3HG2 VAL 6 3HG2 VAL 6 -6.191 1.607 2.552 61 H CYS 7 H CYS 7 -3.876 3.973 0.502 62 HA CYS 7 HA CYS 7 -1.495 5.616 0.779 63 1HB CYS 7 2HB CYS 7 -3.200 5.279 -1.299 64 2HB CYS 7 1HB CYS 7 -3.874 6.734 -0.573 65 H TYR 8 H TYR 8 -1.255 7.132 2.274 66 HA TYR 8 HA TYR 8 -3.661 8.303 3.503 67 1HB TYR 8 2HB TYR 8 -1.183 7.253 4.858 68 2HB TYR 8 1HB TYR 8 -2.245 8.419 5.639 69 HD1 TYR 8 1HD TYR 8 -1.463 5.202 5.881 70 HD2 TYR 8 2HD TYR 8 -4.905 7.535 4.989 71 HE1 TYR 8 1HE TYR 8 -2.902 3.363 6.654 72 HE2 TYR 8 2HE TYR 8 -6.355 5.704 5.760 73 HH TYR 8 HH TYR 8 -6.290 3.327 6.111 74 H ARG 9 H ARG 9 -3.366 10.434 4.398 75 HA ARG 9 HA ARG 9 -1.904 12.141 2.701 76 1HB ARG 9 2HB ARG 9 -2.455 13.874 4.576 77 2HB ARG 9 1HB ARG 9 -3.744 13.206 3.589 78 1HG ARG 9 2HG ARG 9 -4.419 13.295 5.899 79 2HG ARG 9 1HG ARG 9 -4.278 11.617 5.385 80 1HD ARG 9 2HD ARG 9 -1.796 12.648 6.490 81 2HD ARG 9 1HD ARG 9 -3.133 12.761 7.630 82 HE ARG 9 HE ARG 9 -3.232 10.215 6.554 83 1HH1 ARG 9 1HH1 ARG 9 -0.998 12.112 8.445 84 2HH1 ARG 9 2HH1 ARG 9 -0.324 10.740 9.257 85 1HH2 ARG 9 1HH2 ARG 9 -2.349 8.406 7.622 86 2HH2 ARG 9 2HH2 ARG 9 -1.090 8.636 8.790 87 H GLY 10 H GLY 10 -0.956 10.416 5.496 88 1HA GLY 10 2HA GLY 10 1.335 12.202 5.944 89 2HA GLY 10 1HA GLY 10 0.789 10.944 7.042 90 H ILE 11 H ILE 11 0.514 9.098 4.651 91 HA ILE 11 HA ILE 11 3.062 8.734 3.494 92 HB ILE 11 HB ILE 11 3.846 8.135 5.677 93 1HG1 ILE 11 2HG1 ILE 11 4.611 5.862 5.322 94 2HG1 ILE 11 1HG1 ILE 11 3.296 5.554 4.195 95 1HG2 ILE 11 1HG2 ILE 11 1.508 6.240 5.821 96 2HG2 ILE 11 2HG2 ILE 11 1.720 7.720 6.755 97 3HG2 ILE 11 3HG2 ILE 11 2.805 6.353 7.010 98 1HD1 ILE 11 1HD1 ILE 11 5.872 6.427 3.604 99 2HD1 ILE 11 2HD1 ILE 11 4.830 7.827 3.347 100 3HD1 ILE 11 3HD1 ILE 11 4.498 6.314 2.504 101 H CYS 12 H CYS 12 2.631 7.699 1.665 102 HA CYS 12 HA CYS 12 0.230 6.047 1.504 103 1HB CYS 12 2HB CYS 12 0.654 7.880 -0.163 104 2HB CYS 12 1HB CYS 12 2.027 6.952 -0.752 105 H TYR 13 H TYR 13 0.842 4.127 2.433 106 HA TYR 13 HA TYR 13 3.254 2.768 1.672 107 1HB TYR 13 2HB TYR 13 0.846 1.819 3.237 108 2HB TYR 13 1HB TYR 13 2.349 0.920 3.055 109 HD1 TYR 13 1HD TYR 13 4.514 2.211 3.784 110 HD2 TYR 13 2HD TYR 13 0.585 3.196 5.081 111 HE1 TYR 13 1HE TYR 13 5.456 3.375 5.728 112 HE2 TYR 13 2HE TYR 13 1.516 4.363 7.034 113 HH TYR 13 HH TYR 13 4.563 5.361 7.300 114 H ARG 14 H ARG 14 3.499 1.084 0.259 115 HA ARG 14 HA ARG 14 1.188 0.508 -1.468 116 1HB ARG 14 2HB ARG 14 3.124 1.566 -2.570 117 2HB ARG 14 1HB ARG 14 4.135 0.220 -2.062 118 1HG ARG 14 2HG ARG 14 1.742 -0.585 -3.535 119 2HG ARG 14 1HG ARG 14 2.858 0.419 -4.461 120 1HD ARG 14 2HD ARG 14 3.564 -2.116 -2.988 121 2HD ARG 14 1HD ARG 14 3.357 -1.960 -4.731 122 HE ARG 14 HE ARG 14 5.264 -0.132 -4.188 123 1HH1 ARG 14 1HH1 ARG 14 4.928 -3.511 -3.384 124 2HH1 ARG 14 2HH1 ARG 14 6.635 -3.803 -3.363 125 1HH2 ARG 14 1HH2 ARG 14 7.509 -0.515 -4.162 126 2HH2 ARG 14 2HH2 ARG 14 8.100 -2.103 -3.804 127 H ARG 15 H ARG 15 0.264 -1.374 -1.193 128 HA ARG 15 HA ARG 15 0.280 -3.397 0.273 129 1HB ARG 15 2HB ARG 15 -0.047 -3.267 -2.549 130 2HB ARG 15 1HB ARG 15 0.735 -4.794 -2.166 131 1HG ARG 15 2HG ARG 15 -1.317 -5.564 -1.792 132 2HG ARG 15 1HG ARG 15 -1.251 -4.654 -0.282 133 1HD ARG 15 2HD ARG 15 -2.111 -2.676 -1.688 134 2HD ARG 15 1HD ARG 15 -2.540 -3.901 -2.883 135 HE ARG 15 HE ARG 15 -3.656 -4.843 -0.608 136 1HH1 ARG 15 1HH1 ARG 15 -3.807 -1.760 -2.238 137 2HH1 ARG 15 2HH1 ARG 15 -5.408 -1.404 -1.683 138 1HH2 ARG 15 1HH2 ARG 15 -5.762 -4.376 0.123 139 2HH2 ARG 15 2HH2 ARG 15 -6.518 -2.888 -0.342 140 H CYS 16 H CYS 16 1.581 -4.635 1.424 141 HA CYS 16 HA CYS 16 3.342 -5.914 2.081 142 1HB CYS 16 2HB CYS 16 3.327 -6.209 -0.824 143 2HB CYS 16 1HB CYS 16 4.937 -6.392 -0.135 144 H ARG 17 H ARG 17 4.585 -4.680 3.338 145 HA ARG 17 HA ARG 17 5.930 -2.354 2.591 146 1HB ARG 17 2HB ARG 17 6.170 -4.259 4.884 147 2HB ARG 17 1HB ARG 17 7.390 -3.009 4.684 148 1HG ARG 17 2HG ARG 17 4.471 -2.336 4.712 149 2HG ARG 17 1HG ARG 17 5.388 -2.530 6.208 150 1HD ARG 17 2HD ARG 17 6.912 -0.882 4.484 151 2HD ARG 17 1HD ARG 17 5.256 -0.279 4.462 152 HE ARG 17 HE ARG 17 7.106 -0.193 6.661 153 1HH1 ARG 17 1HH1 ARG 17 3.739 -0.137 5.743 154 2HH1 ARG 17 2HH1 ARG 17 3.231 0.678 7.183 155 1HH2 ARG 17 1HH2 ARG 17 6.439 0.878 8.557 156 2HH2 ARG 17 2HH2 ARG 17 4.763 1.255 8.782 Start of MODEL 11 1 1H LYS 1 1HT LYS 1 -8.139 -6.918 9.349 2 2H LYS 1 2HT LYS 1 -8.951 -6.165 8.037 3 3H LYS 1 3HT LYS 1 -8.578 -5.265 9.448 4 HA LYS 1 HA LYS 1 -6.617 -6.467 7.612 5 1HB LYS 1 2HB LYS 1 -7.969 -3.818 7.777 6 2HB LYS 1 1HB LYS 1 -6.259 -3.830 7.365 7 1HG LYS 1 2HG LYS 1 -7.695 -5.795 5.823 8 2HG LYS 1 1HG LYS 1 -8.416 -4.194 5.642 9 1HD LYS 1 2HD LYS 1 -6.688 -4.599 3.955 10 2HD LYS 1 1HD LYS 1 -6.245 -3.271 5.029 11 1HE LYS 1 2HE LYS 1 -4.425 -4.340 5.757 12 2HE LYS 1 1HE LYS 1 -5.311 -5.845 6.002 13 1HZ LYS 1 1HZ LYS 1 -3.416 -5.551 4.172 14 2HZ LYS 1 2HZ LYS 1 -4.760 -5.117 3.242 15 3HZ LYS 1 3HZ LYS 1 -4.708 -6.630 3.996 16 H TRP 2 H TRP 2 -4.478 -5.267 7.948 17 HA TRP 2 HA TRP 2 -3.836 -5.424 10.767 18 1HB TRP 2 2HB TRP 2 -2.435 -5.880 8.318 19 2HB TRP 2 1HB TRP 2 -1.554 -4.676 9.254 20 HD1 TRP 2 HD TRP 2 -3.384 -7.894 10.441 21 HE1 TRP 2 1HE TRP 2 -1.713 -9.285 11.821 22 HE3 TRP 2 3HE TRP 2 0.758 -4.935 9.934 23 HZ2 TRP 2 2HZ TRP 2 0.999 -9.146 12.591 24 HZ3 TRP 2 3HZ TRP 2 2.849 -5.636 11.023 25 HH2 TRP 2 HH TRP 2 2.965 -7.697 12.325 26 H CYS 3 H CYS 3 -3.448 -3.091 8.160 27 HA CYS 3 HA CYS 3 -3.814 -0.911 10.024 28 1HB CYS 3 2HB CYS 3 -1.270 -1.209 8.435 29 2HB CYS 3 1HB CYS 3 -1.749 0.259 9.276 30 H PHE 4 H PHE 4 -2.338 -0.937 6.829 31 HA PHE 4 HA PHE 4 -4.663 -0.351 5.366 32 1HB PHE 4 2HB PHE 4 -4.381 2.038 4.950 33 2HB PHE 4 1HB PHE 4 -4.638 1.734 6.666 34 HD1 PHE 4 1HD PHE 4 -2.733 1.882 8.240 35 HD2 PHE 4 2HD PHE 4 -2.381 3.021 4.155 36 HE1 PHE 4 1HE PHE 4 -0.679 3.129 8.769 37 HE2 PHE 4 2HE PHE 4 -0.326 4.270 4.676 38 HZ PHE 4 HZ PHE 4 0.528 4.324 6.986 39 H ARG 5 H ARG 5 -4.118 -1.197 3.482 40 HA ARG 5 HA ARG 5 -1.361 -1.032 2.535 41 1HB ARG 5 2HB ARG 5 -3.091 -3.099 2.516 42 2HB ARG 5 1HB ARG 5 -3.430 -2.424 0.929 43 1HG ARG 5 2HG ARG 5 -0.671 -3.150 1.876 44 2HG ARG 5 1HG ARG 5 -1.716 -4.238 0.965 45 1HD ARG 5 2HD ARG 5 -1.579 -1.680 -0.334 46 2HD ARG 5 1HD ARG 5 0.045 -2.297 -0.041 47 HE ARG 5 HE ARG 5 -1.894 -3.330 -1.886 48 1HH1 ARG 5 1HH1 ARG 5 0.898 -4.122 0.055 49 2HH1 ARG 5 2HH1 ARG 5 1.370 -5.456 -0.944 50 1HH2 ARG 5 1HH2 ARG 5 -1.272 -5.083 -3.201 51 2HH2 ARG 5 2HH2 ARG 5 0.139 -6.001 -2.794 52 H VAL 6 H VAL 6 -1.711 1.349 2.220 53 HA VAL 6 HA VAL 6 -1.899 1.991 -0.478 54 HB VAL 6 HB VAL 6 -4.407 1.499 0.249 55 1HG1 VAL 6 1HG1 VAL 6 -4.449 4.447 0.670 56 2HG1 VAL 6 2HG1 VAL 6 -4.102 3.383 2.033 57 3HG1 VAL 6 3HG1 VAL 6 -5.621 3.220 1.154 58 1HG2 VAL 6 1HG2 VAL 6 -3.154 3.180 -1.749 59 2HG2 VAL 6 2HG2 VAL 6 -4.800 3.696 -1.385 60 3HG2 VAL 6 3HG2 VAL 6 -4.489 2.039 -1.906 61 H CYS 7 H CYS 7 -2.742 4.623 -0.457 62 HA CYS 7 HA CYS 7 -0.704 5.821 1.241 63 1HB CYS 7 2HB CYS 7 -2.333 7.195 -0.891 64 2HB CYS 7 1HB CYS 7 -0.813 7.732 -0.187 65 H TYR 8 H TYR 8 -1.233 6.619 3.139 66 HA TYR 8 HA TYR 8 -3.916 7.790 3.487 67 1HB TYR 8 2HB TYR 8 -2.385 5.880 5.152 68 2HB TYR 8 1HB TYR 8 -3.213 7.163 6.026 69 HD1 TYR 8 1HD TYR 8 -5.037 6.159 7.054 70 HD2 TYR 8 2HD TYR 8 -4.239 5.289 2.968 71 HE1 TYR 8 1HE TYR 8 -7.140 4.893 6.919 72 HE2 TYR 8 2HE TYR 8 -6.341 4.021 2.820 73 HH TYR 8 HH TYR 8 -7.849 2.739 4.666 74 H ARG 9 H ARG 9 -3.863 9.197 5.615 75 HA ARG 9 HA ARG 9 -3.352 11.380 6.170 76 1HB ARG 9 2HB ARG 9 -0.781 11.076 7.169 77 2HB ARG 9 1HB ARG 9 -2.283 10.795 8.038 78 1HG ARG 9 2HG ARG 9 -2.218 8.463 7.558 79 2HG ARG 9 1HG ARG 9 -0.867 8.675 6.443 80 1HD ARG 9 2HD ARG 9 -0.325 7.778 8.752 81 2HD ARG 9 1HD ARG 9 0.634 9.140 8.178 82 HE ARG 9 HE ARG 9 -0.270 10.449 9.836 83 1HH1 ARG 9 1HH1 ARG 9 -2.070 7.468 9.610 84 2HH1 ARG 9 2HH1 ARG 9 -2.954 7.746 11.072 85 1HH2 ARG 9 1HH2 ARG 9 -1.431 10.815 11.759 86 2HH2 ARG 9 2HH2 ARG 9 -2.592 9.646 12.291 87 H GLY 10 H GLY 10 0.031 10.651 5.491 88 1HA GLY 10 2HA GLY 10 -0.036 12.389 3.137 89 2HA GLY 10 1HA GLY 10 0.964 12.889 4.492 90 H ILE 11 H ILE 11 0.697 9.507 4.010 91 HA ILE 11 HA ILE 11 3.021 9.334 2.285 92 HB ILE 11 HB ILE 11 3.872 9.630 4.646 93 1HG1 ILE 11 2HG1 ILE 11 5.054 8.439 2.701 94 2HG1 ILE 11 1HG1 ILE 11 5.666 8.152 4.326 95 1HG2 ILE 11 1HG2 ILE 11 3.714 7.815 6.208 96 2HG2 ILE 11 2HG2 ILE 11 2.803 6.843 5.051 97 3HG2 ILE 11 3HG2 ILE 11 2.087 8.305 5.733 98 1HD1 ILE 11 1HD1 ILE 11 5.406 5.980 4.056 99 2HD1 ILE 11 2HD1 ILE 11 4.853 6.267 2.407 100 3HD1 ILE 11 3HD1 ILE 11 3.687 6.194 3.727 101 H CYS 12 H CYS 12 3.345 7.204 1.436 102 HA CYS 12 HA CYS 12 0.950 5.535 1.675 103 1HB CYS 12 2HB CYS 12 1.999 6.529 -0.577 104 2HB CYS 12 1HB CYS 12 2.931 5.039 -0.483 105 H TYR 13 H TYR 13 1.080 3.783 2.858 106 HA TYR 13 HA TYR 13 3.686 2.436 3.071 107 1HB TYR 13 2HB TYR 13 1.833 3.348 5.129 108 2HB TYR 13 1HB TYR 13 2.229 1.643 5.300 109 HD1 TYR 13 1HD TYR 13 4.607 4.048 3.866 110 HD2 TYR 13 2HD TYR 13 3.420 1.955 7.375 111 HE1 TYR 13 1HE TYR 13 6.736 4.650 4.940 112 HE2 TYR 13 2HE TYR 13 5.543 2.552 8.459 113 HH TYR 13 HH TYR 13 7.642 4.905 7.220 114 H ARG 14 H ARG 14 3.692 0.160 3.179 115 HA ARG 14 HA ARG 14 1.880 -1.136 1.476 116 1HB ARG 14 2HB ARG 14 4.335 -1.730 2.534 117 2HB ARG 14 1HB ARG 14 3.298 -2.866 3.386 118 1HG ARG 14 2HG ARG 14 2.469 -3.721 1.258 119 2HG ARG 14 1HG ARG 14 3.493 -2.572 0.394 120 1HD ARG 14 2HD ARG 14 5.244 -3.934 0.545 121 2HD ARG 14 1HD ARG 14 5.054 -4.064 2.292 122 HE ARG 14 HE ARG 14 3.146 -5.726 1.343 123 1HH1 ARG 14 1HH1 ARG 14 6.566 -5.427 0.716 124 2HH1 ARG 14 2HH1 ARG 14 6.778 -7.111 0.377 125 1HH2 ARG 14 1HH2 ARG 14 3.424 -7.942 0.899 126 2HH2 ARG 14 2HH2 ARG 14 4.995 -8.539 0.481 127 H ARG 15 H ARG 15 1.490 -3.610 2.998 128 HA ARG 15 HA ARG 15 -1.090 -3.363 3.836 129 1HB ARG 15 2HB ARG 15 -0.045 -5.522 3.500 130 2HB ARG 15 1HB ARG 15 1.016 -5.259 4.877 131 1HG ARG 15 2HG ARG 15 -1.565 -4.958 5.887 132 2HG ARG 15 1HG ARG 15 -1.651 -6.339 4.791 133 1HD ARG 15 2HD ARG 15 0.564 -6.091 6.796 134 2HD ARG 15 1HD ARG 15 -1.007 -6.742 7.260 135 HE ARG 15 HE ARG 15 -0.296 -8.155 5.028 136 1HH1 ARG 15 1HH1 ARG 15 1.151 -7.568 8.149 137 2HH1 ARG 15 2HH1 ARG 15 1.978 -9.088 8.192 138 1HH2 ARG 15 1HH2 ARG 15 0.791 -10.155 5.081 139 2HH2 ARG 15 2HH2 ARG 15 1.775 -10.557 6.450 140 H CYS 16 H CYS 16 1.776 -2.552 5.598 141 HA CYS 16 HA CYS 16 0.480 -0.905 7.428 142 1HB CYS 16 2HB CYS 16 -0.433 -2.910 8.435 143 2HB CYS 16 1HB CYS 16 1.171 -3.628 8.531 144 H ARG 17 H ARG 17 3.005 -3.198 8.247 145 HA ARG 17 HA ARG 17 5.207 -2.952 8.754 146 1HB ARG 17 2HB ARG 17 4.752 -1.442 6.351 147 2HB ARG 17 1HB ARG 17 5.976 -0.638 7.323 148 1HG ARG 17 2HG ARG 17 7.506 -2.218 6.924 149 2HG ARG 17 1HG ARG 17 6.343 -3.531 7.109 150 1HD ARG 17 2HD ARG 17 5.670 -2.142 4.740 151 2HD ARG 17 1HD ARG 17 7.413 -2.399 4.715 152 HE ARG 17 HE ARG 17 7.042 -4.634 4.417 153 1HH1 ARG 17 1HH1 ARG 17 4.088 -3.149 5.528 154 2HH1 ARG 17 2HH1 ARG 17 3.134 -4.573 5.288 155 1HH2 ARG 17 1HH2 ARG 17 5.789 -6.509 4.100 156 2HH2 ARG 17 2HH2 ARG 17 4.099 -6.482 4.477 Start of MODEL 12 1 1H LYS 1 1HT LYS 1 -0.339 -2.872 9.137 2 2H LYS 1 2HT LYS 1 -1.229 -3.679 7.912 3 3H LYS 1 3HT LYS 1 -1.877 -2.280 8.667 4 HA LYS 1 HA LYS 1 -1.135 -1.520 6.670 5 1HB LYS 1 2HB LYS 1 0.664 -0.033 7.271 6 2HB LYS 1 1HB LYS 1 -0.376 -0.249 8.672 7 1HG LYS 1 2HG LYS 1 1.528 -2.227 8.969 8 2HG LYS 1 1HG LYS 1 2.438 -0.858 8.332 9 1HD LYS 1 2HD LYS 1 2.539 -0.299 10.526 10 2HD LYS 1 1HD LYS 1 0.967 0.418 10.170 11 1HE LYS 1 2HE LYS 1 0.913 -2.429 10.902 12 2HE LYS 1 1HE LYS 1 1.432 -1.335 12.183 13 1HZ LYS 1 1HZ LYS 1 -0.923 -0.506 10.709 14 2HZ LYS 1 2HZ LYS 1 -0.608 -0.448 12.369 15 3HZ LYS 1 3HZ LYS 1 -1.116 -1.895 11.656 16 H TRP 2 H TRP 2 0.725 -4.126 7.881 17 HA TRP 2 HA TRP 2 2.913 -4.125 6.151 18 1HB TRP 2 2HB TRP 2 1.559 -6.094 7.863 19 2HB TRP 2 1HB TRP 2 2.443 -6.785 6.507 20 HD1 TRP 2 HD TRP 2 3.088 -6.505 9.887 21 HE1 TRP 2 1HE TRP 2 5.541 -5.981 10.462 22 HE3 TRP 2 3HE TRP 2 4.636 -4.761 5.336 23 HZ2 TRP 2 2HZ TRP 2 7.831 -4.964 9.160 24 HZ3 TRP 2 3HZ TRP 2 6.972 -4.032 5.085 25 HH2 TRP 2 HH TRP 2 8.536 -4.132 6.958 26 H CYS 3 H CYS 3 0.315 -6.465 5.836 27 HA CYS 3 HA CYS 3 0.627 -6.373 2.932 28 1HB CYS 3 2HB CYS 3 0.414 -8.496 4.656 29 2HB CYS 3 1HB CYS 3 -1.231 -8.358 4.045 30 H PHE 4 H PHE 4 -0.798 -4.282 4.427 31 HA PHE 4 HA PHE 4 -3.508 -4.661 3.347 32 1HB PHE 4 2HB PHE 4 -2.545 -3.602 5.868 33 2HB PHE 4 1HB PHE 4 -3.576 -2.439 5.041 34 HD1 PHE 4 1HD PHE 4 -3.614 -4.916 7.400 35 HD2 PHE 4 2HD PHE 4 -5.719 -3.706 3.903 36 HE1 PHE 4 1HE PHE 4 -5.604 -6.136 8.178 37 HE2 PHE 4 2HE PHE 4 -7.711 -4.924 4.677 38 HZ PHE 4 HZ PHE 4 -7.657 -6.141 6.816 39 H ARG 5 H ARG 5 -0.663 -2.714 3.255 40 HA ARG 5 HA ARG 5 -0.034 -0.928 1.998 41 1HB ARG 5 2HB ARG 5 -2.316 -1.729 0.187 42 2HB ARG 5 1HB ARG 5 -0.872 -0.830 -0.258 43 1HG ARG 5 2HG ARG 5 0.301 -2.684 -0.593 44 2HG ARG 5 1HG ARG 5 -0.226 -3.387 0.937 45 1HD ARG 5 2HD ARG 5 -2.493 -3.660 -0.434 46 2HD ARG 5 1HD ARG 5 -1.362 -3.676 -1.788 47 HE ARG 5 HE ARG 5 -0.652 -5.454 0.366 48 1HH1 ARG 5 1HH1 ARG 5 -2.465 -5.108 -2.598 49 2HH1 ARG 5 2HH1 ARG 5 -2.481 -6.805 -2.933 50 1HH2 ARG 5 1HH2 ARG 5 -0.671 -7.687 -0.076 51 2HH2 ARG 5 2HH2 ARG 5 -1.463 -8.271 -1.501 52 H VAL 6 H VAL 6 -2.112 0.540 0.256 53 HA VAL 6 HA VAL 6 -3.651 2.221 0.435 54 HB VAL 6 HB VAL 6 -3.888 1.699 3.393 55 1HG1 VAL 6 1HG1 VAL 6 -6.336 2.415 2.545 56 2HG1 VAL 6 2HG1 VAL 6 -5.339 3.282 1.375 57 3HG1 VAL 6 3HG1 VAL 6 -5.121 3.565 3.101 58 1HG2 VAL 6 1HG2 VAL 6 -4.876 0.094 1.115 59 2HG2 VAL 6 2HG2 VAL 6 -6.019 0.408 2.419 60 3HG2 VAL 6 3HG2 VAL 6 -4.487 -0.394 2.763 61 H CYS 7 H CYS 7 -3.632 4.437 1.021 62 HA CYS 7 HA CYS 7 -1.212 5.260 2.486 63 1HB CYS 7 2HB CYS 7 -0.892 5.764 0.156 64 2HB CYS 7 1HB CYS 7 -2.485 6.504 0.042 65 H TYR 8 H TYR 8 -1.317 7.269 3.621 66 HA TYR 8 HA TYR 8 -4.029 8.216 4.219 67 1HB TYR 8 2HB TYR 8 -2.126 6.943 6.045 68 2HB TYR 8 1HB TYR 8 -2.718 8.493 6.630 69 HD1 TYR 8 1HD TYR 8 -5.269 8.831 6.679 70 HD2 TYR 8 2HD TYR 8 -3.422 5.017 6.295 71 HE1 TYR 8 1HE TYR 8 -7.347 7.756 7.435 72 HE2 TYR 8 2HE TYR 8 -5.495 3.931 7.050 73 HH TYR 8 HH TYR 8 -8.105 5.696 8.412 74 H ARG 9 H ARG 9 -2.868 9.664 2.491 75 HA ARG 9 HA ARG 9 -2.016 11.686 1.922 76 1HB ARG 9 2HB ARG 9 -3.529 12.024 4.337 77 2HB ARG 9 1HB ARG 9 -2.190 13.163 4.324 78 1HG ARG 9 2HG ARG 9 -4.093 12.837 2.022 79 2HG ARG 9 1HG ARG 9 -4.337 13.995 3.333 80 1HD ARG 9 2HD ARG 9 -2.121 13.909 1.303 81 2HD ARG 9 1HD ARG 9 -3.291 15.195 1.590 82 HE ARG 9 HE ARG 9 -0.834 14.736 3.009 83 1HH1 ARG 9 1HH1 ARG 9 -4.005 16.182 3.175 84 2HH1 ARG 9 2HH1 ARG 9 -3.556 17.328 4.392 85 1HH2 ARG 9 1HH2 ARG 9 -0.242 16.241 4.612 86 2HH2 ARG 9 2HH2 ARG 9 -1.420 17.361 5.209 87 H GLY 10 H GLY 10 -1.042 11.910 5.322 88 1HA GLY 10 2HA GLY 10 1.481 12.943 4.817 89 2HA GLY 10 1HA GLY 10 1.017 12.130 6.301 90 H ILE 11 H ILE 11 0.455 9.617 4.717 91 HA ILE 11 HA ILE 11 3.099 8.869 3.796 92 HB ILE 11 HB ILE 11 3.214 8.532 6.231 93 1HG1 ILE 11 2HG1 ILE 11 4.061 6.269 6.180 94 2HG1 ILE 11 1HG1 ILE 11 3.091 5.893 4.757 95 1HG2 ILE 11 1HG2 ILE 11 1.788 7.115 7.424 96 2HG2 ILE 11 2HG2 ILE 11 1.132 6.390 5.955 97 3HG2 ILE 11 3HG2 ILE 11 0.708 8.048 6.384 98 1HD1 ILE 11 1HD1 ILE 11 4.772 8.171 4.271 99 2HD1 ILE 11 2HD1 ILE 11 4.676 6.636 3.408 100 3HD1 ILE 11 3HD1 ILE 11 5.721 6.789 4.820 101 H CYS 12 H CYS 12 3.095 7.194 2.364 102 HA CYS 12 HA CYS 12 0.503 5.888 1.863 103 1HB CYS 12 2HB CYS 12 2.632 6.648 -0.147 104 2HB CYS 12 1HB CYS 12 1.163 5.755 -0.518 105 H TYR 13 H TYR 13 0.575 3.720 1.043 106 HA TYR 13 HA TYR 13 3.111 2.306 1.260 107 1HB TYR 13 2HB TYR 13 0.910 2.106 3.215 108 2HB TYR 13 1HB TYR 13 1.546 0.566 2.645 109 HD1 TYR 13 1HD TYR 13 3.523 -0.300 3.543 110 HD2 TYR 13 2HD TYR 13 2.581 3.805 4.149 111 HE1 TYR 13 1HE TYR 13 5.408 -0.104 5.108 112 HE2 TYR 13 2HE TYR 13 4.466 4.012 5.713 113 HH TYR 13 HH TYR 13 6.161 1.287 6.923 114 H ARG 14 H ARG 14 3.266 0.675 -0.176 115 HA ARG 14 HA ARG 14 0.875 -0.593 -1.232 116 1HB ARG 14 2HB ARG 14 1.533 -0.152 -3.584 117 2HB ARG 14 1HB ARG 14 1.071 1.303 -2.713 118 1HG ARG 14 2HG ARG 14 3.482 1.780 -2.349 119 2HG ARG 14 1HG ARG 14 3.863 0.396 -3.375 120 1HD ARG 14 2HD ARG 14 1.976 2.397 -4.468 121 2HD ARG 14 1HD ARG 14 3.659 2.898 -4.308 122 HE ARG 14 HE ARG 14 3.471 0.361 -5.564 123 1HH1 ARG 14 1HH1 ARG 14 3.028 3.770 -6.158 124 2HH1 ARG 14 2HH1 ARG 14 3.347 3.643 -7.856 125 1HH2 ARG 14 1HH2 ARG 14 3.891 0.191 -7.795 126 2HH2 ARG 14 2HH2 ARG 14 3.836 1.611 -8.786 127 H ARG 15 H ARG 15 2.417 -1.992 0.278 128 HA ARG 15 HA ARG 15 3.558 -3.958 -1.448 129 1HB ARG 15 2HB ARG 15 5.808 -3.845 -0.103 130 2HB ARG 15 1HB ARG 15 5.567 -2.833 -1.519 131 1HG ARG 15 2HG ARG 15 4.638 -1.504 0.866 132 2HG ARG 15 1HG ARG 15 6.318 -2.017 1.033 133 1HD ARG 15 2HD ARG 15 5.138 -0.300 -1.146 134 2HD ARG 15 1HD ARG 15 6.279 0.197 0.104 135 HE ARG 15 HE ARG 15 7.628 -1.752 -1.159 136 1HH1 ARG 15 1HH1 ARG 15 5.918 1.049 -2.350 137 2HH1 ARG 15 2HH1 ARG 15 6.936 1.233 -3.737 138 1HH2 ARG 15 1HH2 ARG 15 8.967 -1.508 -2.985 139 2HH2 ARG 15 2HH2 ARG 15 8.666 -0.217 -4.099 140 H CYS 16 H CYS 16 4.319 -5.867 -0.246 141 HA CYS 16 HA CYS 16 3.056 -6.033 2.412 142 1HB CYS 16 2HB CYS 16 1.801 -7.297 0.722 143 2HB CYS 16 1HB CYS 16 3.256 -8.192 0.301 144 H ARG 17 H ARG 17 4.516 -6.240 3.959 145 HA ARG 17 HA ARG 17 6.362 -6.867 5.131 146 1HB ARG 17 2HB ARG 17 6.566 -9.136 3.146 147 2HB ARG 17 1HB ARG 17 7.246 -9.082 4.767 148 1HG ARG 17 2HG ARG 17 4.308 -8.764 4.462 149 2HG ARG 17 1HG ARG 17 5.011 -10.369 4.250 150 1HD ARG 17 2HD ARG 17 5.427 -10.601 6.440 151 2HD ARG 17 1HD ARG 17 6.020 -8.947 6.594 152 HE ARG 17 HE ARG 17 3.970 -8.350 7.387 153 1HH1 ARG 17 1HH1 ARG 17 3.629 -11.342 5.625 154 2HH1 ARG 17 2HH1 ARG 17 1.962 -11.546 6.047 155 1HH2 ARG 17 1HH2 ARG 17 1.778 -8.615 7.943 156 2HH2 ARG 17 2HH2 ARG 17 0.911 -9.997 7.363 Start of MODEL 13 1 1H LYS 1 1HT LYS 1 6.807 -7.881 6.367 2 2H LYS 1 2HT LYS 1 5.723 -9.044 7.014 3 3H LYS 1 3HT LYS 1 7.416 -9.244 7.208 4 HA LYS 1 HA LYS 1 6.155 -8.435 9.172 5 1HB LYS 1 2HB LYS 1 7.967 -6.827 9.718 6 2HB LYS 1 1HB LYS 1 8.567 -8.318 9.005 7 1HG LYS 1 2HG LYS 1 9.439 -7.263 7.243 8 2HG LYS 1 1HG LYS 1 8.024 -6.226 7.046 9 1HD LYS 1 2HD LYS 1 9.399 -4.585 7.729 10 2HD LYS 1 1HD LYS 1 9.106 -5.238 9.341 11 1HE LYS 1 2HE LYS 1 11.221 -6.634 7.894 12 2HE LYS 1 1HE LYS 1 11.563 -4.924 8.151 13 1HZ LYS 1 1HZ LYS 1 11.600 -5.175 10.409 14 2HZ LYS 1 2HZ LYS 1 12.201 -6.685 9.940 15 3HZ LYS 1 3HZ LYS 1 10.582 -6.527 10.406 16 H TRP 2 H TRP 2 4.053 -7.655 8.303 17 HA TRP 2 HA TRP 2 2.469 -6.034 8.100 18 1HB TRP 2 2HB TRP 2 3.638 -5.240 10.202 19 2HB TRP 2 1HB TRP 2 4.542 -4.123 9.185 20 HD1 TRP 2 HD TRP 2 0.739 -4.930 9.226 21 HE1 TRP 2 1HE TRP 2 -0.532 -2.705 9.467 22 HE3 TRP 2 3HE TRP 2 4.726 -1.751 9.624 23 HZ2 TRP 2 2HZ TRP 2 0.072 0.033 9.784 24 HZ3 TRP 2 3HZ TRP 2 4.292 0.655 9.894 25 HH2 TRP 2 HH TRP 2 2.012 1.528 9.970 26 H CYS 3 H CYS 3 2.581 -6.201 5.797 27 HA CYS 3 HA CYS 3 4.195 -4.203 4.420 28 1HB CYS 3 2HB CYS 3 3.297 -6.803 3.762 29 2HB CYS 3 1HB CYS 3 2.527 -5.696 2.629 30 H PHE 4 H PHE 4 0.907 -4.833 5.322 31 HA PHE 4 HA PHE 4 -1.068 -3.759 4.901 32 1HB PHE 4 2HB PHE 4 -0.737 -1.168 5.009 33 2HB PHE 4 1HB PHE 4 -0.381 -2.152 6.422 34 HD1 PHE 4 1HD PHE 4 1.901 -2.498 7.156 35 HD2 PHE 4 2HD PHE 4 1.021 -0.095 3.757 36 HE1 PHE 4 1HE PHE 4 4.179 -1.572 7.225 37 HE2 PHE 4 2HE PHE 4 3.298 0.836 3.821 38 HZ PHE 4 HZ PHE 4 4.881 0.097 5.557 39 H ARG 5 H ARG 5 -1.883 -1.556 3.588 40 HA ARG 5 HA ARG 5 -0.772 -1.122 1.043 41 1HB ARG 5 2HB ARG 5 -1.376 -3.392 0.530 42 2HB ARG 5 1HB ARG 5 -2.995 -3.162 1.175 43 1HG ARG 5 2HG ARG 5 -2.917 -3.189 -1.289 44 2HG ARG 5 1HG ARG 5 -3.566 -1.686 -0.631 45 1HD ARG 5 2HD ARG 5 -1.534 -0.527 -1.058 46 2HD ARG 5 1HD ARG 5 -0.687 -2.026 -1.440 47 HE ARG 5 HE ARG 5 -2.603 -2.010 -3.300 48 1HH1 ARG 5 1HH1 ARG 5 -0.410 0.499 -2.257 49 2HH1 ARG 5 2HH1 ARG 5 -0.367 1.274 -3.804 50 1HH2 ARG 5 1HH2 ARG 5 -2.546 -0.991 -5.333 51 2HH2 ARG 5 2HH2 ARG 5 -1.580 0.431 -5.549 52 H VAL 6 H VAL 6 -1.284 0.992 1.626 53 HA VAL 6 HA VAL 6 -3.705 2.014 0.676 54 HB VAL 6 HB VAL 6 -4.675 1.026 2.705 55 1HG1 VAL 6 1HG1 VAL 6 -3.046 2.954 4.330 56 2HG1 VAL 6 2HG1 VAL 6 -2.515 1.297 4.030 57 3HG1 VAL 6 3HG1 VAL 6 -4.028 1.598 4.884 58 1HG2 VAL 6 1HG2 VAL 6 -4.589 4.014 2.463 59 2HG2 VAL 6 2HG2 VAL 6 -5.593 3.218 3.674 60 3HG2 VAL 6 3HG2 VAL 6 -5.858 2.897 1.960 61 H CYS 7 H CYS 7 -3.537 4.183 0.340 62 HA CYS 7 HA CYS 7 -1.032 5.425 1.137 63 1HB CYS 7 2HB CYS 7 -2.261 5.466 -1.226 64 2HB CYS 7 1HB CYS 7 -3.040 6.876 -0.518 65 H TYR 8 H TYR 8 -0.970 6.442 3.027 66 HA TYR 8 HA TYR 8 -3.392 7.643 4.117 67 1HB TYR 8 2HB TYR 8 -0.751 6.821 5.228 68 2HB TYR 8 1HB TYR 8 -1.630 8.105 6.053 69 HD1 TYR 8 1HD TYR 8 -0.925 4.946 6.588 70 HD2 TYR 8 2HD TYR 8 -4.413 7.246 5.788 71 HE1 TYR 8 1HE TYR 8 -2.295 3.259 7.738 72 HE2 TYR 8 2HE TYR 8 -5.792 5.566 6.937 73 HH TYR 8 HH TYR 8 -5.572 3.044 7.449 74 H ARG 9 H ARG 9 -3.514 9.799 4.817 75 HA ARG 9 HA ARG 9 -2.729 11.760 3.096 76 1HB ARG 9 2HB ARG 9 -3.015 13.340 5.094 77 2HB ARG 9 1HB ARG 9 -4.386 12.337 4.645 78 1HG ARG 9 2HG ARG 9 -4.330 11.160 6.563 79 2HG ARG 9 1HG ARG 9 -2.567 11.182 6.651 80 1HD ARG 9 2HD ARG 9 -4.124 13.696 7.098 81 2HD ARG 9 1HD ARG 9 -3.970 12.512 8.396 82 HE ARG 9 HE ARG 9 -1.911 14.245 7.364 83 1HH1 ARG 9 1HH1 ARG 9 -2.590 11.316 9.137 84 2HH1 ARG 9 2HH1 ARG 9 -1.066 11.313 9.959 85 1HH2 ARG 9 1HH2 ARG 9 0.094 14.240 8.444 86 2HH2 ARG 9 2HH2 ARG 9 0.456 12.972 9.566 87 H GLY 10 H GLY 10 -0.882 10.468 5.795 88 1HA GLY 10 2HA GLY 10 1.147 12.499 5.668 89 2HA GLY 10 1HA GLY 10 1.221 11.006 6.592 90 H ILE 11 H ILE 11 1.003 9.076 4.712 91 HA ILE 11 HA ILE 11 2.873 9.599 2.559 92 HB ILE 11 HB ILE 11 4.686 8.489 3.303 93 1HG1 ILE 11 2HG1 ILE 11 2.755 6.555 4.571 94 2HG1 ILE 11 1HG1 ILE 11 3.844 6.278 3.219 95 1HG2 ILE 11 1HG2 ILE 11 3.311 8.815 5.968 96 2HG2 ILE 11 2HG2 ILE 11 4.244 10.051 5.122 97 3HG2 ILE 11 3HG2 ILE 11 5.045 8.597 5.718 98 1HD1 ILE 11 1HD1 ILE 11 4.717 5.119 5.086 99 2HD1 ILE 11 2HD1 ILE 11 4.546 6.534 6.127 100 3HD1 ILE 11 3HD1 ILE 11 5.745 6.532 4.832 101 H CYS 12 H CYS 12 3.305 7.385 1.378 102 HA CYS 12 HA CYS 12 0.672 6.169 1.036 103 1HB CYS 12 2HB CYS 12 2.519 7.066 -0.803 104 2HB CYS 12 1HB CYS 12 2.763 5.322 -0.827 105 H TYR 13 H TYR 13 0.682 4.808 2.845 106 HA TYR 13 HA TYR 13 2.749 2.950 3.399 107 1HB TYR 13 2HB TYR 13 -0.021 3.433 4.353 108 2HB TYR 13 1HB TYR 13 0.629 1.817 4.607 109 HD1 TYR 13 1HD TYR 13 2.031 1.390 6.423 110 HD2 TYR 13 2HD TYR 13 1.386 5.412 5.198 111 HE1 TYR 13 1HE TYR 13 3.245 2.182 8.406 112 HE2 TYR 13 2HE TYR 13 2.597 6.215 7.177 113 HH TYR 13 HH TYR 13 3.149 5.361 9.475 114 H ARG 14 H ARG 14 3.315 1.454 1.921 115 HA ARG 14 HA ARG 14 1.617 -0.696 1.307 116 1HB ARG 14 2HB ARG 14 0.439 0.149 -0.403 117 2HB ARG 14 1HB ARG 14 1.453 1.579 -0.492 118 1HG ARG 14 2HG ARG 14 1.553 0.516 -2.602 119 2HG ARG 14 1HG ARG 14 3.099 0.214 -1.810 120 1HD ARG 14 2HD ARG 14 2.798 -1.981 -1.976 121 2HD ARG 14 1HD ARG 14 1.256 -1.868 -1.130 122 HE ARG 14 HE ARG 14 1.133 -1.128 -3.911 123 1HH1 ARG 14 1HH1 ARG 14 0.924 -3.756 -1.622 124 2HH1 ARG 14 2HH1 ARG 14 -0.011 -4.763 -2.675 125 1HH2 ARG 14 1HH2 ARG 14 -0.095 -2.453 -5.295 126 2HH2 ARG 14 2HH2 ARG 14 -0.589 -4.024 -4.761 127 H ARG 15 H ARG 15 2.705 -2.404 0.348 128 HA ARG 15 HA ARG 15 4.468 -3.676 -0.308 129 1HB ARG 15 2HB ARG 15 4.687 -1.386 -1.835 130 2HB ARG 15 1HB ARG 15 6.280 -1.522 -1.103 131 1HG ARG 15 2HG ARG 15 6.488 -2.690 -3.094 132 2HG ARG 15 1HG ARG 15 6.220 -3.960 -1.900 133 1HD ARG 15 2HD ARG 15 4.021 -2.737 -3.556 134 2HD ARG 15 1HD ARG 15 4.905 -4.186 -4.032 135 HE ARG 15 HE ARG 15 2.862 -3.981 -2.019 136 1HH1 ARG 15 1HH1 ARG 15 5.618 -5.816 -3.122 137 2HH1 ARG 15 2HH1 ARG 15 5.113 -7.278 -2.342 138 1HH2 ARG 15 1HH2 ARG 15 2.197 -5.901 -0.992 139 2HH2 ARG 15 2HH2 ARG 15 3.172 -7.327 -1.133 140 H CYS 16 H CYS 16 4.295 -2.843 2.371 141 HA CYS 16 HA CYS 16 5.489 -2.894 4.304 142 1HB CYS 16 2HB CYS 16 7.529 -3.991 2.381 143 2HB CYS 16 1HB CYS 16 7.895 -3.779 4.089 144 H ARG 17 H ARG 17 6.460 -1.397 5.534 145 HA ARG 17 HA ARG 17 7.485 0.542 6.130 146 1HB ARG 17 2HB ARG 17 9.241 0.235 3.702 147 2HB ARG 17 1HB ARG 17 9.629 1.004 5.234 148 1HG ARG 17 2HG ARG 17 9.224 -1.944 4.770 149 2HG ARG 17 1HG ARG 17 10.763 -1.122 5.038 150 1HD ARG 17 2HD ARG 17 8.477 -1.367 6.986 151 2HD ARG 17 1HD ARG 17 10.037 -2.176 7.085 152 HE ARG 17 HE ARG 17 11.038 0.028 7.429 153 1HH1 ARG 17 1HH1 ARG 17 7.588 -0.262 7.950 154 2HH1 ARG 17 2HH1 ARG 17 7.514 1.109 9.003 155 1HH2 ARG 17 1HH2 ARG 17 10.926 1.825 8.813 156 2HH2 ARG 17 2HH2 ARG 17 9.403 2.291 9.491 Start of MODEL 14 1 1H LYS 1 1HT LYS 1 -10.640 -8.231 -1.225 2 2H LYS 1 2HT LYS 1 -11.271 -8.269 -2.821 3 3H LYS 1 3HT LYS 1 -12.204 -7.607 -1.544 4 HA LYS 1 HA LYS 1 -9.815 -6.531 -2.849 5 1HB LYS 1 2HB LYS 1 -12.465 -5.267 -2.132 6 2HB LYS 1 1HB LYS 1 -11.244 -4.641 -3.231 7 1HG LYS 1 2HG LYS 1 -12.880 -7.130 -3.671 8 2HG LYS 1 1HG LYS 1 -13.168 -5.559 -4.421 9 1HD LYS 1 2HD LYS 1 -10.551 -5.961 -5.030 10 2HD LYS 1 1HD LYS 1 -11.161 -7.617 -5.042 11 1HE LYS 1 2HE LYS 1 -12.477 -7.264 -6.858 12 2HE LYS 1 1HE LYS 1 -12.809 -5.588 -6.425 13 1HZ LYS 1 1HZ LYS 1 -11.471 -5.309 -8.233 14 2HZ LYS 1 2HZ LYS 1 -10.562 -6.706 -7.940 15 3HZ LYS 1 3HZ LYS 1 -10.292 -5.315 -7.018 16 H TRP 2 H TRP 2 -9.976 -3.998 -1.828 17 HA TRP 2 HA TRP 2 -9.252 -2.692 -0.114 18 1HB TRP 2 2HB TRP 2 -11.391 -3.308 0.918 19 2HB TRP 2 1HB TRP 2 -10.658 -4.759 1.593 20 HD1 TRP 2 HD TRP 2 -10.416 -4.395 4.110 21 HE1 TRP 2 1HE TRP 2 -9.591 -2.490 5.631 22 HE3 TRP 2 3HE TRP 2 -9.538 -0.833 0.548 23 HZ2 TRP 2 2HZ TRP 2 -8.687 0.170 5.357 24 HZ3 TRP 2 3HZ TRP 2 -8.695 1.364 1.262 25 HH2 TRP 2 HH TRP 2 -8.278 1.856 3.617 26 H CYS 3 H CYS 3 -7.237 -4.004 -1.063 27 HA CYS 3 HA CYS 3 -5.500 -4.389 1.155 28 1HB CYS 3 2HB CYS 3 -6.872 -6.644 0.678 29 2HB CYS 3 1HB CYS 3 -5.574 -6.861 -0.492 30 H PHE 4 H PHE 4 -5.064 -2.560 -0.560 31 HA PHE 4 HA PHE 4 -2.887 -3.567 -2.244 32 1HB PHE 4 2HB PHE 4 -4.709 -1.399 -3.261 33 2HB PHE 4 1HB PHE 4 -3.557 -2.379 -4.163 34 HD1 PHE 4 1HD PHE 4 -6.938 -2.094 -2.957 35 HD2 PHE 4 2HD PHE 4 -4.077 -4.776 -4.610 36 HE1 PHE 4 1HE PHE 4 -8.751 -3.638 -3.576 37 HE2 PHE 4 2HE PHE 4 -5.884 -6.324 -5.234 38 HZ PHE 4 HZ PHE 4 -8.224 -5.757 -4.718 39 H ARG 5 H ARG 5 -2.071 -2.664 -0.020 40 HA ARG 5 HA ARG 5 -0.747 -1.136 1.022 41 1HB ARG 5 2HB ARG 5 -0.619 -0.357 -1.821 42 2HB ARG 5 1HB ARG 5 -0.183 0.911 -0.682 43 1HG ARG 5 2HG ARG 5 1.855 0.034 -0.682 44 2HG ARG 5 1HG ARG 5 1.177 -1.293 0.264 45 1HD ARG 5 2HD ARG 5 0.507 -2.086 -2.223 46 2HD ARG 5 1HD ARG 5 1.989 -1.197 -2.572 47 HE ARG 5 HE ARG 5 3.190 -2.850 -1.532 48 1HH1 ARG 5 1HH1 ARG 5 -0.188 -3.230 -0.743 49 2HH1 ARG 5 2HH1 ARG 5 0.037 -4.768 0.021 50 1HH2 ARG 5 1HH2 ARG 5 3.486 -4.871 -0.530 51 2HH2 ARG 5 2HH2 ARG 5 2.122 -5.699 0.142 52 H VAL 6 H VAL 6 -1.289 0.360 2.480 53 HA VAL 6 HA VAL 6 -3.751 1.857 2.076 54 HB VAL 6 HB VAL 6 -3.422 0.653 4.198 55 1HG1 VAL 6 1HG1 VAL 6 -0.841 1.485 4.075 56 2HG1 VAL 6 2HG1 VAL 6 -1.622 0.851 5.525 57 3HG1 VAL 6 3HG1 VAL 6 -1.504 2.593 5.276 58 1HG2 VAL 6 1HG2 VAL 6 -3.946 3.535 4.001 59 2HG2 VAL 6 2HG2 VAL 6 -3.573 2.960 5.627 60 3HG2 VAL 6 3HG2 VAL 6 -4.911 2.249 4.726 61 H CYS 7 H CYS 7 -3.857 3.977 1.663 62 HA CYS 7 HA CYS 7 -1.340 5.489 1.665 63 1HB CYS 7 2HB CYS 7 -3.546 5.302 -0.210 64 2HB CYS 7 1HB CYS 7 -3.214 6.973 0.235 65 H TYR 8 H TYR 8 -1.134 6.594 3.492 66 HA TYR 8 HA TYR 8 -3.460 7.724 4.817 67 1HB TYR 8 2HB TYR 8 -0.666 7.127 5.553 68 2HB TYR 8 1HB TYR 8 -1.328 8.586 6.282 69 HD1 TYR 8 1HD TYR 8 -1.615 7.979 8.524 70 HD2 TYR 8 2HD TYR 8 -3.094 5.413 5.470 71 HE1 TYR 8 1HE TYR 8 -2.747 6.615 10.227 72 HE2 TYR 8 2HE TYR 8 -4.230 4.041 7.165 73 HH TYR 8 HH TYR 8 -3.949 3.557 9.636 74 H ARG 9 H ARG 9 -3.204 10.011 5.696 75 HA ARG 9 HA ARG 9 -2.916 11.780 3.481 76 1HB ARG 9 2HB ARG 9 -3.559 13.534 5.044 77 2HB ARG 9 1HB ARG 9 -4.599 12.130 5.240 78 1HG ARG 9 2HG ARG 9 -2.590 11.655 7.050 79 2HG ARG 9 1HG ARG 9 -2.798 13.405 7.136 80 1HD ARG 9 2HD ARG 9 -4.573 13.079 8.431 81 2HD ARG 9 1HD ARG 9 -5.386 12.317 7.065 82 HE ARG 9 HE ARG 9 -5.190 10.343 8.170 83 1HH1 ARG 9 1HH1 ARG 9 -2.641 12.449 9.282 84 2HH1 ARG 9 2HH1 ARG 9 -2.034 11.313 10.439 85 1HH2 ARG 9 1HH2 ARG 9 -4.394 8.845 9.692 86 2HH2 ARG 9 2HH2 ARG 9 -3.029 9.267 10.672 87 H GLY 10 H GLY 10 -0.553 10.948 3.259 88 1HA GLY 10 2HA GLY 10 1.215 12.997 3.485 89 2HA GLY 10 1HA GLY 10 1.362 12.178 5.032 90 H ILE 11 H ILE 11 0.767 9.553 3.720 91 HA ILE 11 HA ILE 11 2.794 9.042 1.797 92 HB ILE 11 HB ILE 11 4.246 9.412 3.739 93 1HG1 ILE 11 2HG1 ILE 11 4.569 7.546 1.912 94 2HG1 ILE 11 1HG1 ILE 11 5.663 7.647 3.284 95 1HG2 ILE 11 1HG2 ILE 11 2.834 7.067 4.997 96 2HG2 ILE 11 2HG2 ILE 11 2.618 8.754 5.462 97 3HG2 ILE 11 3HG2 ILE 11 4.185 7.974 5.675 98 1HD1 ILE 11 1HD1 ILE 11 4.470 5.386 2.461 99 2HD1 ILE 11 2HD1 ILE 11 3.308 5.932 3.669 100 3HD1 ILE 11 3HD1 ILE 11 4.993 5.675 4.120 101 H CYS 12 H CYS 12 2.872 6.801 1.166 102 HA CYS 12 HA CYS 12 0.423 5.384 1.907 103 1HB CYS 12 2HB CYS 12 1.457 5.935 -0.558 104 2HB CYS 12 1HB CYS 12 2.047 4.299 -0.294 105 H TYR 13 H TYR 13 0.727 4.086 3.596 106 HA TYR 13 HA TYR 13 3.212 2.808 4.170 107 1HB TYR 13 2HB TYR 13 0.477 2.797 5.361 108 2HB TYR 13 1HB TYR 13 1.571 1.490 5.791 109 HD1 TYR 13 1HD TYR 13 3.251 4.578 5.082 110 HD2 TYR 13 2HD TYR 13 1.213 2.421 8.128 111 HE1 TYR 13 1HE TYR 13 4.285 6.017 6.783 112 HE2 TYR 13 2HE TYR 13 2.242 3.853 9.837 113 HH TYR 13 HH TYR 13 3.445 6.668 9.401 114 H ARG 14 H ARG 14 3.578 0.519 4.302 115 HA ARG 14 HA ARG 14 2.520 -0.872 1.993 116 1HB ARG 14 2HB ARG 14 4.513 -1.936 3.989 117 2HB ARG 14 1HB ARG 14 4.280 -2.440 2.322 118 1HG ARG 14 2HG ARG 14 5.420 -0.649 1.470 119 2HG ARG 14 1HG ARG 14 5.067 0.378 2.860 120 1HD ARG 14 2HD ARG 14 7.466 -0.446 2.581 121 2HD ARG 14 1HD ARG 14 6.727 -0.626 4.168 122 HE ARG 14 HE ARG 14 7.343 -2.763 2.270 123 1HH1 ARG 14 1HH1 ARG 14 6.036 -1.812 5.371 124 2HH1 ARG 14 2HH1 ARG 14 6.104 -3.413 6.025 125 1HH2 ARG 14 1HH2 ARG 14 7.424 -4.863 3.134 126 2HH2 ARG 14 2HH2 ARG 14 6.889 -5.143 4.758 127 H ARG 15 H ARG 15 2.826 -3.537 3.009 128 HA ARG 15 HA ARG 15 1.771 -5.174 4.184 129 1HB ARG 15 2HB ARG 15 0.301 -3.056 5.742 130 2HB ARG 15 1HB ARG 15 0.536 -4.740 6.182 131 1HG ARG 15 2HG ARG 15 2.638 -2.590 6.051 132 2HG ARG 15 1HG ARG 15 1.993 -3.368 7.498 133 1HD ARG 15 2HD ARG 15 3.738 -4.558 5.358 134 2HD ARG 15 1HD ARG 15 4.079 -4.395 7.079 135 HE ARG 15 HE ARG 15 2.571 -6.481 5.795 136 1HH1 ARG 15 1HH1 ARG 15 3.128 -4.778 8.791 137 2HH1 ARG 15 2HH1 ARG 15 2.565 -6.083 9.782 138 1HH2 ARG 15 1HH2 ARG 15 1.829 -8.196 7.097 139 2HH2 ARG 15 2HH2 ARG 15 1.827 -8.023 8.819 140 H CYS 16 H CYS 16 -0.888 -2.899 4.457 141 HA CYS 16 HA CYS 16 -2.228 -3.366 2.095 142 1HB CYS 16 2HB CYS 16 -2.241 -5.687 3.780 143 2HB CYS 16 1HB CYS 16 -3.881 -5.063 3.658 144 H ARG 17 H ARG 17 -4.874 -3.558 2.847 145 HA ARG 17 HA ARG 17 -6.617 -2.357 3.674 146 1HB ARG 17 2HB ARG 17 -4.819 -1.438 5.908 147 2HB ARG 17 1HB ARG 17 -6.566 -1.626 5.929 148 1HG ARG 17 2HG ARG 17 -4.557 -3.862 5.750 149 2HG ARG 17 1HG ARG 17 -5.461 -3.389 7.191 150 1HD ARG 17 2HD ARG 17 -7.042 -3.971 4.760 151 2HD ARG 17 1HD ARG 17 -6.248 -5.343 5.531 152 HE ARG 17 HE ARG 17 -8.560 -4.012 6.449 153 1HH1 ARG 17 1HH1 ARG 17 -5.608 -5.454 7.623 154 2HH1 ARG 17 2HH1 ARG 17 -6.273 -5.853 9.173 155 1HH2 ARG 17 1HH2 ARG 17 -9.435 -4.534 8.486 156 2HH2 ARG 17 2HH2 ARG 17 -8.445 -5.330 9.662 Start of MODEL 15 1 1H LYS 1 1HT LYS 1 -9.975 -3.263 5.274 2 2H LYS 1 2HT LYS 1 -10.031 -2.321 3.842 3 3H LYS 1 3HT LYS 1 -8.655 -3.282 4.184 4 HA LYS 1 HA LYS 1 -10.356 -5.186 4.225 5 1HB LYS 1 2HB LYS 1 -11.664 -3.254 2.312 6 2HB LYS 1 1HB LYS 1 -12.252 -4.833 2.814 7 1HG LYS 1 2HG LYS 1 -13.380 -3.919 4.482 8 2HG LYS 1 1HG LYS 1 -11.903 -3.202 5.128 9 1HD LYS 1 2HD LYS 1 -13.521 -1.460 4.696 10 2HD LYS 1 1HD LYS 1 -12.180 -1.310 3.558 11 1HE LYS 1 2HE LYS 1 -14.251 -3.024 2.505 12 2HE LYS 1 1HE LYS 1 -14.903 -1.450 2.957 13 1HZ LYS 1 1HZ LYS 1 -13.415 -0.360 1.522 14 2HZ LYS 1 2HZ LYS 1 -14.024 -1.661 0.626 15 3HZ LYS 1 3HZ LYS 1 -12.472 -1.746 1.293 16 H TRP 2 H TRP 2 -7.774 -4.595 3.336 17 HA TRP 2 HA TRP 2 -7.558 -6.182 1.058 18 1HB TRP 2 2HB TRP 2 -7.138 -4.733 -0.732 19 2HB TRP 2 1HB TRP 2 -8.524 -3.999 0.062 20 HD1 TRP 2 HD TRP 2 -5.198 -3.146 -1.246 21 HE1 TRP 2 1HE TRP 2 -4.469 -0.808 -0.444 22 HE3 TRP 2 3HE TRP 2 -8.682 -2.424 2.413 23 HZ2 TRP 2 2HZ TRP 2 -5.271 1.086 1.491 24 HZ3 TRP 2 3HZ TRP 2 -8.636 -0.331 3.700 25 HH2 TRP 2 HH TRP 2 -6.964 1.392 3.245 26 H CYS 3 H CYS 3 -5.565 -7.012 1.035 27 HA CYS 3 HA CYS 3 -3.520 -5.686 2.661 28 1HB CYS 3 2HB CYS 3 -3.951 -8.533 1.802 29 2HB CYS 3 1HB CYS 3 -2.379 -7.997 2.384 30 H PHE 4 H PHE 4 -3.017 -4.146 0.987 31 HA PHE 4 HA PHE 4 -1.077 -5.218 -0.907 32 1HB PHE 4 2HB PHE 4 -3.546 -4.645 -1.834 33 2HB PHE 4 1HB PHE 4 -2.783 -3.068 -1.996 34 HD1 PHE 4 1HD PHE 4 -3.732 -5.489 -3.974 35 HD2 PHE 4 2HD PHE 4 -0.048 -3.754 -2.732 36 HE1 PHE 4 1HE PHE 4 -2.684 -6.219 -6.078 37 HE2 PHE 4 2HE PHE 4 1.006 -4.481 -4.833 38 HZ PHE 4 HZ PHE 4 -0.311 -5.714 -6.510 39 H ARG 5 H ARG 5 -2.596 -2.102 -0.289 40 HA ARG 5 HA ARG 5 -0.442 -0.955 1.096 41 1HB ARG 5 2HB ARG 5 0.280 -1.266 -1.475 42 2HB ARG 5 1HB ARG 5 -0.534 0.286 -1.597 43 1HG ARG 5 2HG ARG 5 1.614 -0.253 0.428 44 2HG ARG 5 1HG ARG 5 1.958 0.342 -1.198 45 1HD ARG 5 2HD ARG 5 -0.136 1.810 0.242 46 2HD ARG 5 1HD ARG 5 1.469 1.919 0.958 47 HE ARG 5 HE ARG 5 2.227 3.044 -0.938 48 1HH1 ARG 5 1HH1 ARG 5 -1.125 2.111 -1.291 49 2HH1 ARG 5 2HH1 ARG 5 -1.394 3.145 -2.651 50 1HH2 ARG 5 1HH2 ARG 5 1.866 4.399 -2.727 51 2HH2 ARG 5 2HH2 ARG 5 0.300 4.442 -3.467 52 H VAL 6 H VAL 6 -1.182 0.805 2.128 53 HA VAL 6 HA VAL 6 -3.613 2.090 1.064 54 HB VAL 6 HB VAL 6 -4.040 0.801 3.122 55 1HG1 VAL 6 1HG1 VAL 6 -1.624 1.405 3.972 56 2HG1 VAL 6 2HG1 VAL 6 -2.937 1.093 5.107 57 3HG1 VAL 6 3HG1 VAL 6 -2.471 2.752 4.732 58 1HG2 VAL 6 1HG2 VAL 6 -5.393 2.400 4.129 59 2HG2 VAL 6 2HG2 VAL 6 -5.162 3.042 2.501 60 3HG2 VAL 6 3HG2 VAL 6 -4.233 3.700 3.850 61 H CYS 7 H CYS 7 -3.921 4.348 1.636 62 HA CYS 7 HA CYS 7 -1.366 5.772 1.998 63 1HB CYS 7 2HB CYS 7 -3.698 6.348 0.188 64 2HB CYS 7 1HB CYS 7 -2.593 7.629 0.675 65 H TYR 8 H TYR 8 -1.256 7.202 3.624 66 HA TYR 8 HA TYR 8 -3.761 8.179 4.807 67 1HB TYR 8 2HB TYR 8 -1.495 6.787 6.204 68 2HB TYR 8 1HB TYR 8 -2.506 7.939 7.068 69 HD1 TYR 8 1HD TYR 8 -2.053 4.701 7.069 70 HD2 TYR 8 2HD TYR 8 -5.167 7.378 5.957 71 HE1 TYR 8 1HE TYR 8 -3.711 2.931 7.472 72 HE2 TYR 8 2HE TYR 8 -6.833 5.616 6.359 73 HH TYR 8 HH TYR 8 -6.479 3.111 8.106 74 H ARG 9 H ARG 9 -3.788 10.303 5.033 75 HA ARG 9 HA ARG 9 -3.141 12.476 5.136 76 1HB ARG 9 2HB ARG 9 -1.260 11.024 6.823 77 2HB ARG 9 1HB ARG 9 -0.563 12.499 6.167 78 1HG ARG 9 2HG ARG 9 -1.483 13.268 8.114 79 2HG ARG 9 1HG ARG 9 -2.797 13.575 6.977 80 1HD ARG 9 2HD ARG 9 -4.150 12.074 7.953 81 2HD ARG 9 1HD ARG 9 -2.850 10.905 8.177 82 HE ARG 9 HE ARG 9 -3.795 12.842 10.081 83 1HH1 ARG 9 1HH1 ARG 9 -1.097 10.845 9.123 84 2HH1 ARG 9 2HH1 ARG 9 -0.394 10.820 10.705 85 1HH2 ARG 9 1HH2 ARG 9 -2.869 12.809 12.162 86 2HH2 ARG 9 2HH2 ARG 9 -1.399 11.935 12.431 87 H GLY 10 H GLY 10 0.162 11.267 4.746 88 1HA GLY 10 2HA GLY 10 0.154 12.317 1.990 89 2HA GLY 10 1HA GLY 10 1.412 12.784 3.122 90 H ILE 11 H ILE 11 1.546 10.100 4.327 91 HA ILE 11 HA ILE 11 3.187 8.866 2.243 92 HB ILE 11 HB ILE 11 4.251 9.306 4.415 93 1HG1 ILE 11 2HG1 ILE 11 5.193 7.049 4.768 94 2HG1 ILE 11 1HG1 ILE 11 3.888 6.363 3.806 95 1HG2 ILE 11 1HG2 ILE 11 2.424 9.117 5.926 96 2HG2 ILE 11 2HG2 ILE 11 3.591 7.867 6.358 97 3HG2 ILE 11 3HG2 ILE 11 2.133 7.441 5.460 98 1HD1 ILE 11 1HD1 ILE 11 6.386 7.328 2.937 99 2HD1 ILE 11 2HD1 ILE 11 5.153 8.414 2.296 100 3HD1 ILE 11 3HD1 ILE 11 5.063 6.684 1.966 101 H CYS 12 H CYS 12 3.076 6.617 1.801 102 HA CYS 12 HA CYS 12 0.519 5.357 2.553 103 1HB CYS 12 2HB CYS 12 1.920 5.027 -0.105 104 2HB CYS 12 1HB CYS 12 0.336 4.406 0.346 105 H TYR 13 H TYR 13 0.768 3.529 3.639 106 HA TYR 13 HA TYR 13 3.294 2.046 3.340 107 1HB TYR 13 2HB TYR 13 1.649 2.759 5.669 108 2HB TYR 13 1HB TYR 13 2.165 1.076 5.643 109 HD1 TYR 13 1HD TYR 13 3.772 4.342 4.764 110 HD2 TYR 13 2HD TYR 13 4.010 0.712 6.970 111 HE1 TYR 13 1HE TYR 13 5.974 5.016 5.624 112 HE2 TYR 13 2HE TYR 13 6.212 1.376 7.836 113 HH TYR 13 HH TYR 13 7.345 4.240 7.983 114 H ARG 14 H ARG 14 3.004 -0.359 3.938 115 HA ARG 14 HA ARG 14 1.334 -1.541 2.012 116 1HB ARG 14 2HB ARG 14 2.752 -2.740 4.394 117 2HB ARG 14 1HB ARG 14 1.937 -3.691 3.160 118 1HG ARG 14 2HG ARG 14 4.097 -3.759 2.413 119 2HG ARG 14 1HG ARG 14 3.482 -2.362 1.527 120 1HD ARG 14 2HD ARG 14 4.545 -1.692 4.162 121 2HD ARG 14 1HD ARG 14 5.743 -2.410 3.085 122 HE ARG 14 HE ARG 14 4.569 -0.534 1.535 123 1HH1 ARG 14 1HH1 ARG 14 6.010 -0.438 4.711 124 2HH1 ARG 14 2HH1 ARG 14 6.525 1.207 4.565 125 1HH2 ARG 14 1HH2 ARG 14 5.246 1.632 1.341 126 2HH2 ARG 14 2HH2 ARG 14 6.090 2.384 2.651 127 H ARG 15 H ARG 15 1.142 -2.059 5.534 128 HA ARG 15 HA ARG 15 -0.617 -2.445 6.922 129 1HB ARG 15 2HB ARG 15 -1.546 -0.412 5.036 130 2HB ARG 15 1HB ARG 15 -2.859 -1.353 5.729 131 1HG ARG 15 2HG ARG 15 -2.352 0.705 6.990 132 2HG ARG 15 1HG ARG 15 -2.184 -0.763 7.955 133 1HD ARG 15 2HD ARG 15 0.116 -0.610 8.032 134 2HD ARG 15 1HD ARG 15 0.205 0.351 6.558 135 HE ARG 15 HE ARG 15 -0.157 1.316 9.244 136 1HH1 ARG 15 1HH1 ARG 15 -0.606 2.023 5.856 137 2HH1 ARG 15 2HH1 ARG 15 -0.633 3.738 6.088 138 1HH2 ARG 15 1HH2 ARG 15 -0.196 3.574 9.552 139 2HH2 ARG 15 2HH2 ARG 15 -0.400 4.619 8.187 140 H CYS 16 H CYS 16 -3.200 -3.095 6.666 141 HA CYS 16 HA CYS 16 -3.600 -5.000 4.532 142 1HB CYS 16 2HB CYS 16 -2.527 -5.828 7.086 143 2HB CYS 16 1HB CYS 16 -4.095 -6.576 6.808 144 H ARG 17 H ARG 17 -5.636 -6.500 5.645 145 HA ARG 17 HA ARG 17 -7.899 -5.040 5.273 146 1HB ARG 17 2HB ARG 17 -7.267 -7.557 6.673 147 2HB ARG 17 1HB ARG 17 -8.783 -6.809 7.152 148 1HG ARG 17 2HG ARG 17 -9.160 -8.415 5.392 149 2HG ARG 17 1HG ARG 17 -9.502 -6.787 4.810 150 1HD ARG 17 2HD ARG 17 -7.150 -6.766 3.879 151 2HD ARG 17 1HD ARG 17 -7.090 -8.490 4.240 152 HE ARG 17 HE ARG 17 -9.349 -7.662 2.642 153 1HH1 ARG 17 1HH1 ARG 17 -6.054 -8.820 2.617 154 2HH1 ARG 17 2HH1 ARG 17 -6.159 -9.454 1.011 155 1HH2 ARG 17 1HH2 ARG 17 -9.485 -8.494 0.529 156 2HH2 ARG 17 2HH2 ARG 17 -8.105 -9.268 -0.176 Start of MODEL 16 1 1H LYS 1 1HT LYS 1 3.855 5.496 13.431 2 2H LYS 1 2HT LYS 1 2.613 4.483 14.044 3 3H LYS 1 3HT LYS 1 2.403 6.185 14.027 4 HA LYS 1 HA LYS 1 1.229 4.889 12.278 5 1HB LYS 1 2HB LYS 1 2.255 7.412 12.393 6 2HB LYS 1 1HB LYS 1 2.991 6.821 10.909 7 1HG LYS 1 2HG LYS 1 0.454 6.041 10.500 8 2HG LYS 1 1HG LYS 1 0.179 7.461 11.511 9 1HD LYS 1 2HD LYS 1 0.165 8.240 9.281 10 2HD LYS 1 1HD LYS 1 1.732 8.707 9.945 11 1HE LYS 1 2HE LYS 1 1.770 7.732 7.620 12 2HE LYS 1 1HE LYS 1 2.845 6.968 8.790 13 1HZ LYS 1 1HZ LYS 1 1.211 5.602 7.220 14 2HZ LYS 1 2HZ LYS 1 0.179 5.825 8.541 15 3HZ LYS 1 3HZ LYS 1 1.672 5.058 8.754 16 H TRP 2 H TRP 2 1.885 2.811 11.761 17 HA TRP 2 HA TRP 2 3.629 2.597 9.478 18 1HB TRP 2 2HB TRP 2 4.744 2.180 12.036 19 2HB TRP 2 1HB TRP 2 4.537 0.582 11.327 20 HD1 TRP 2 HD TRP 2 6.433 3.869 10.792 21 HE1 TRP 2 1HE TRP 2 8.389 3.432 9.177 22 HE3 TRP 2 3HE TRP 2 5.325 -0.941 9.454 23 HZ2 TRP 2 2HZ TRP 2 9.338 1.328 7.551 24 HZ3 TRP 2 3HZ TRP 2 6.808 -2.093 7.865 25 HH2 TRP 2 HH TRP 2 8.771 -0.981 6.932 26 H CYS 3 H CYS 3 0.837 2.107 10.135 27 HA CYS 3 HA CYS 3 0.659 -0.592 9.082 28 1HB CYS 3 2HB CYS 3 0.504 -0.431 11.750 29 2HB CYS 3 1HB CYS 3 -1.171 -0.052 11.364 30 H PHE 4 H PHE 4 -0.013 0.736 7.254 31 HA PHE 4 HA PHE 4 -2.881 1.036 7.207 32 1HB PHE 4 2HB PHE 4 -1.144 3.446 6.636 33 2HB PHE 4 1HB PHE 4 -2.895 3.365 6.484 34 HD1 PHE 4 1HD PHE 4 -0.080 3.571 8.802 35 HD2 PHE 4 2HD PHE 4 -4.316 3.396 8.437 36 HE1 PHE 4 1HE PHE 4 -0.307 4.287 11.146 37 HE2 PHE 4 2HE PHE 4 -4.551 4.113 10.780 38 HZ PHE 4 HZ PHE 4 -2.545 4.560 12.137 39 H ARG 5 H ARG 5 -3.320 -0.126 5.451 40 HA ARG 5 HA ARG 5 -1.605 -0.656 3.323 41 1HB ARG 5 2HB ARG 5 -3.791 -1.828 3.976 42 2HB ARG 5 1HB ARG 5 -4.605 -0.575 3.051 43 1HG ARG 5 2HG ARG 5 -2.873 -1.345 1.197 44 2HG ARG 5 1HG ARG 5 -2.942 -2.843 2.125 45 1HD ARG 5 2HD ARG 5 -4.981 -3.337 1.361 46 2HD ARG 5 1HD ARG 5 -5.574 -1.704 1.664 47 HE ARG 5 HE ARG 5 -3.932 -1.645 -0.601 48 1HH1 ARG 5 1HH1 ARG 5 -7.013 -2.939 0.407 49 2HH1 ARG 5 2HH1 ARG 5 -7.695 -2.890 -1.184 50 1HH2 ARG 5 1HH2 ARG 5 -4.829 -1.578 -2.695 51 2HH2 ARG 5 2HH2 ARG 5 -6.455 -2.117 -2.945 52 H VAL 6 H VAL 6 -1.570 0.105 1.151 53 HA VAL 6 HA VAL 6 -1.273 1.804 -0.341 54 HB VAL 6 HB VAL 6 -3.866 1.170 -0.293 55 1HG1 VAL 6 1HG1 VAL 6 -4.262 4.095 -0.129 56 2HG1 VAL 6 2HG1 VAL 6 -4.067 3.238 1.397 57 3HG1 VAL 6 3HG1 VAL 6 -5.353 2.774 0.285 58 1HG2 VAL 6 1HG2 VAL 6 -2.171 2.318 -2.070 59 2HG2 VAL 6 2HG2 VAL 6 -3.411 3.563 -1.925 60 3HG2 VAL 6 3HG2 VAL 6 -3.858 1.925 -2.402 61 H CYS 7 H CYS 7 -2.270 4.391 -0.538 62 HA CYS 7 HA CYS 7 -0.614 5.736 1.369 63 1HB CYS 7 2HB CYS 7 -2.517 6.907 -0.671 64 2HB CYS 7 1HB CYS 7 -1.250 7.778 0.185 65 H TYR 8 H TYR 8 -1.634 7.880 2.323 66 HA TYR 8 HA TYR 8 -4.257 8.126 3.078 67 1HB TYR 8 2HB TYR 8 -3.025 5.890 4.402 68 2HB TYR 8 1HB TYR 8 -3.442 7.116 5.592 69 HD1 TYR 8 1HD TYR 8 -5.367 6.590 2.486 70 HD2 TYR 8 2HD TYR 8 -5.154 5.843 6.668 71 HE1 TYR 8 1HE TYR 8 -7.694 5.807 2.455 72 HE2 TYR 8 2HE TYR 8 -7.487 5.061 6.651 73 HH TYR 8 HH TYR 8 -9.588 5.597 4.090 74 H ARG 9 H ARG 9 -4.043 10.229 3.277 75 HA ARG 9 HA ARG 9 -2.619 12.161 3.673 76 1HB ARG 9 2HB ARG 9 -3.756 12.507 6.213 77 2HB ARG 9 1HB ARG 9 -4.378 13.075 4.674 78 1HG ARG 9 2HG ARG 9 -6.114 11.894 5.806 79 2HG ARG 9 1HG ARG 9 -5.592 10.923 4.430 80 1HD ARG 9 2HD ARG 9 -5.954 9.880 6.844 81 2HD ARG 9 1HD ARG 9 -4.716 9.286 5.741 82 HE ARG 9 HE ARG 9 -3.091 10.149 7.128 83 1HH1 ARG 9 1HH1 ARG 9 -6.228 11.292 8.151 84 2HH1 ARG 9 2HH1 ARG 9 -5.644 11.921 9.653 85 1HH2 ARG 9 1HH2 ARG 9 -2.326 10.977 9.104 86 2HH2 ARG 9 2HH2 ARG 9 -3.430 11.745 10.195 87 H GLY 10 H GLY 10 -0.492 10.897 3.937 88 1HA GLY 10 2HA GLY 10 0.964 11.930 6.016 89 2HA GLY 10 1HA GLY 10 0.423 10.351 6.572 90 H ILE 11 H ILE 11 0.561 8.796 4.372 91 HA ILE 11 HA ILE 11 3.131 9.141 3.080 92 HB ILE 11 HB ILE 11 4.239 7.260 3.955 93 1HG1 ILE 11 2HG1 ILE 11 1.628 6.542 5.315 94 2HG1 ILE 11 1HG1 ILE 11 2.408 5.662 4.004 95 1HG2 ILE 11 1HG2 ILE 11 4.328 9.176 5.426 96 2HG2 ILE 11 2HG2 ILE 11 4.312 7.693 6.379 97 3HG2 ILE 11 3HG2 ILE 11 2.843 8.662 6.228 98 1HD1 ILE 11 1HD1 ILE 11 2.900 4.414 5.896 99 2HD1 ILE 11 2HD1 ILE 11 3.203 5.845 6.881 100 3HD1 ILE 11 3HD1 ILE 11 4.360 5.367 5.639 101 H CYS 12 H CYS 12 3.618 6.692 2.111 102 HA CYS 12 HA CYS 12 1.152 5.678 0.912 103 1HB CYS 12 2HB CYS 12 3.457 6.914 -0.547 104 2HB CYS 12 1HB CYS 12 2.564 5.599 -1.301 105 H TYR 13 H TYR 13 1.312 3.720 1.936 106 HA TYR 13 HA TYR 13 3.513 2.008 1.042 107 1HB TYR 13 2HB TYR 13 2.808 2.646 3.879 108 2HB TYR 13 1HB TYR 13 3.425 1.045 3.483 109 HD1 TYR 13 1HD TYR 13 4.233 4.590 3.781 110 HD2 TYR 13 2HD TYR 13 5.707 0.764 2.646 111 HE1 TYR 13 1HE TYR 13 6.528 5.466 3.833 112 HE2 TYR 13 2HE TYR 13 8.006 1.628 2.695 113 HH TYR 13 HH TYR 13 8.998 4.138 4.206 114 H ARG 14 H ARG 14 3.030 -0.337 1.948 115 HA ARG 14 HA ARG 14 0.154 -0.892 1.767 116 1HB ARG 14 2HB ARG 14 2.191 -2.524 0.259 117 2HB ARG 14 1HB ARG 14 0.440 -2.586 0.123 118 1HG ARG 14 2HG ARG 14 1.855 -0.052 -0.543 119 2HG ARG 14 1HG ARG 14 1.882 -1.389 -1.694 120 1HD ARG 14 2HD ARG 14 -0.608 -1.464 -1.546 121 2HD ARG 14 1HD ARG 14 -0.543 -0.002 -0.562 122 HE ARG 14 HE ARG 14 -0.295 -0.173 -3.396 123 1HH1 ARG 14 1HH1 ARG 14 0.758 1.637 -0.605 124 2HH1 ARG 14 2HH1 ARG 14 1.055 3.087 -1.502 125 1HH2 ARG 14 1HH2 ARG 14 0.094 1.734 -4.578 126 2HH2 ARG 14 2HH2 ARG 14 0.677 3.145 -3.757 127 H ARG 15 H ARG 15 -0.331 -3.204 2.352 128 HA ARG 15 HA ARG 15 -0.306 -4.877 3.892 129 1HB ARG 15 2HB ARG 15 2.699 -4.619 3.854 130 2HB ARG 15 1HB ARG 15 1.751 -6.041 4.258 131 1HG ARG 15 2HG ARG 15 1.493 -6.638 2.117 132 2HG ARG 15 1HG ARG 15 1.256 -4.975 1.575 133 1HD ARG 15 2HD ARG 15 3.889 -6.297 2.218 134 2HD ARG 15 1HD ARG 15 3.282 -5.898 0.614 135 HE ARG 15 HE ARG 15 3.637 -3.609 1.075 136 1HH1 ARG 15 1HH1 ARG 15 4.740 -5.683 3.665 137 2HH1 ARG 15 2HH1 ARG 15 5.765 -4.473 4.357 138 1HH2 ARG 15 1HH2 ARG 15 4.983 -2.025 1.994 139 2HH2 ARG 15 2HH2 ARG 15 5.901 -2.400 3.414 140 H CYS 16 H CYS 16 0.390 -5.470 6.151 141 HA CYS 16 HA CYS 16 1.042 -3.071 7.728 142 1HB CYS 16 2HB CYS 16 -1.409 -4.555 7.720 143 2HB CYS 16 1HB CYS 16 -0.629 -4.763 9.284 144 H ARG 17 H ARG 17 1.371 -3.903 10.161 145 HA ARG 17 HA ARG 17 3.769 -5.332 10.179 146 1HB ARG 17 2HB ARG 17 1.805 -4.764 12.402 147 2HB ARG 17 1HB ARG 17 3.388 -5.481 12.663 148 1HG ARG 17 2HG ARG 17 4.505 -3.525 11.993 149 2HG ARG 17 1HG ARG 17 3.039 -2.837 11.288 150 1HD ARG 17 2HD ARG 17 2.049 -2.746 13.558 151 2HD ARG 17 1HD ARG 17 3.582 -3.315 14.216 152 HE ARG 17 HE ARG 17 3.835 -0.955 12.600 153 1HH1 ARG 17 1HH1 ARG 17 3.150 -2.165 15.802 154 2HH1 ARG 17 2HH1 ARG 17 3.614 -0.696 16.593 155 1HH2 ARG 17 1HH2 ARG 17 4.446 0.977 13.638 156 2HH2 ARG 17 2HH2 ARG 17 4.349 1.089 15.364 Start of MODEL 17 1 1H LYS 1 1HT LYS 1 -7.959 -0.814 2.170 2 2H LYS 1 2HT LYS 1 -9.015 0.537 2.239 3 3H LYS 1 3HT LYS 1 -8.423 -0.015 0.726 4 HA LYS 1 HA LYS 1 -10.745 -0.614 1.308 5 1HB LYS 1 2HB LYS 1 -8.928 -1.748 -0.273 6 2HB LYS 1 1HB LYS 1 -9.143 -3.078 0.857 7 1HG LYS 1 2HG LYS 1 -11.523 -1.789 -0.409 8 2HG LYS 1 1HG LYS 1 -10.572 -2.983 -1.296 9 1HD LYS 1 2HD LYS 1 -11.390 -3.663 1.473 10 2HD LYS 1 1HD LYS 1 -12.644 -3.659 0.233 11 1HE LYS 1 2HE LYS 1 -11.827 -5.863 0.278 12 2HE LYS 1 1HE LYS 1 -11.078 -5.120 -1.137 13 1HZ LYS 1 1HZ LYS 1 -9.035 -5.199 -0.208 14 2HZ LYS 1 2HZ LYS 1 -9.709 -6.486 0.659 15 3HZ LYS 1 3HZ LYS 1 -9.599 -4.954 1.368 16 H TRP 2 H TRP 2 -8.425 -2.882 2.683 17 HA TRP 2 HA TRP 2 -10.066 -3.081 5.094 18 1HB TRP 2 2HB TRP 2 -10.833 -4.942 3.809 19 2HB TRP 2 1HB TRP 2 -9.190 -5.393 3.369 20 HD1 TRP 2 HD TRP 2 -8.854 -7.689 4.471 21 HE1 TRP 2 1HE TRP 2 -9.109 -8.637 6.849 22 HE3 TRP 2 3HE TRP 2 -10.996 -3.635 6.738 23 HZ2 TRP 2 2HZ TRP 2 -10.087 -7.782 9.352 24 HZ3 TRP 2 3HZ TRP 2 -11.560 -3.784 9.127 25 HH2 TRP 2 HH TRP 2 -11.115 -5.816 10.407 26 H CYS 3 H CYS 3 -7.431 -5.206 4.225 27 HA CYS 3 HA CYS 3 -5.805 -3.935 6.319 28 1HB CYS 3 2HB CYS 3 -6.496 -6.168 6.978 29 2HB CYS 3 1HB CYS 3 -5.884 -6.834 5.467 30 H PHE 4 H PHE 4 -5.963 -4.763 3.013 31 HA PHE 4 HA PHE 4 -3.268 -5.127 2.372 32 1HB PHE 4 2HB PHE 4 -5.347 -3.752 0.658 33 2HB PHE 4 1HB PHE 4 -3.883 -4.556 0.101 34 HD1 PHE 4 1HD PHE 4 -7.037 -4.969 -0.384 35 HD2 PHE 4 2HD PHE 4 -3.986 -7.025 1.756 36 HE1 PHE 4 1HE PHE 4 -8.291 -7.072 -0.622 37 HE2 PHE 4 2HE PHE 4 -5.236 -9.132 1.521 38 HZ PHE 4 HZ PHE 4 -7.390 -9.157 0.330 39 H ARG 5 H ARG 5 -2.055 -3.468 0.933 40 HA ARG 5 HA ARG 5 -1.285 -1.326 2.547 41 1HB ARG 5 2HB ARG 5 -0.212 -0.472 0.348 42 2HB ARG 5 1HB ARG 5 0.346 -1.989 1.036 43 1HG ARG 5 2HG ARG 5 -0.355 -3.186 -0.716 44 2HG ARG 5 1HG ARG 5 -1.865 -2.282 -0.855 45 1HD ARG 5 2HD ARG 5 0.651 -0.898 -1.611 46 2HD ARG 5 1HD ARG 5 0.051 -2.149 -2.697 47 HE ARG 5 HE ARG 5 -2.054 -0.407 -2.032 48 1HH1 ARG 5 1HH1 ARG 5 0.901 -0.467 -3.885 49 2HH1 ARG 5 2HH1 ARG 5 0.360 0.721 -5.024 50 1HH2 ARG 5 1HH2 ARG 5 -2.767 1.157 -3.527 51 2HH2 ARG 5 2HH2 ARG 5 -1.723 1.643 -4.819
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