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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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6634 |
1jau ![]() ![]() |
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 HT1 LYS 1 17.813 -0.549 3.262 2 2H LYS 1 HT2 LYS 1 17.237 0.990 3.662 3 3H LYS 1 HT3 LYS 1 18.798 0.809 3.037 4 HA LYS 1 HA LYS 1 17.986 1.204 1.038 5 1HB LYS 1 HB2 LYS 1 17.231 -1.520 1.752 6 2HB LYS 1 HB1 LYS 1 16.187 -0.850 0.505 7 1HG LYS 1 HG2 LYS 1 19.005 -0.330 0.010 8 2HG LYS 1 HG1 LYS 1 18.626 -2.050 0.108 9 1HD LYS 1 HD2 LYS 1 16.584 -0.833 -1.419 10 2HD LYS 1 HD1 LYS 1 18.122 -0.216 -2.024 11 1HE LYS 1 HE2 LYS 1 18.760 -2.799 -1.822 12 2HE LYS 1 HE1 LYS 1 17.022 -2.968 -2.064 13 1HZ LYS 1 HZ1 LYS 1 18.928 -1.564 -3.857 14 2HZ LYS 1 HZ2 LYS 1 17.250 -1.587 -4.073 15 3HZ LYS 1 HZ3 LYS 1 18.135 -3.025 -4.171 16 H TRP 2 HN TRP 2 15.634 0.825 -0.292 17 HA TRP 2 HA TRP 2 13.786 2.541 1.222 18 1HB TRP 2 HB2 TRP 2 12.887 3.153 -1.040 19 2HB TRP 2 HB1 TRP 2 14.565 3.621 -0.780 20 HD1 TRP 2 HD1 TRP 2 16.442 2.281 -2.166 21 HE1 TRP 2 HE1 TRP 2 16.297 0.894 -4.330 22 HE3 TRP 2 HE3 TRP 2 11.381 1.584 -2.349 23 HZ2 TRP 2 HZ2 TRP 2 14.302 -0.334 -5.905 24 HZ3 TRP 2 HZ3 TRP 2 10.434 0.291 -4.216 25 HH2 TRP 2 HH2 TRP 2 11.866 -0.646 -5.957 26 H ALA 3 HN ALA 3 14.062 -0.511 1.077 27 HA ALA 3 HA ALA 3 11.630 -1.393 -0.174 28 1HB ALA 3 HB1 ALA 3 12.517 -3.427 0.030 29 2HB ALA 3 HB2 ALA 3 12.749 -3.236 1.767 30 3HB ALA 3 HB3 ALA 3 13.964 -2.627 0.644 31 H SER 4 HN SER 4 11.366 0.682 1.879 32 HA SER 4 HA SER 4 9.533 -0.754 3.677 33 1HB SER 4 HB2 SER 4 11.438 1.481 4.384 34 2HB SER 4 HB1 SER 4 10.093 0.995 5.416 35 HG SER 4 HG SER 4 11.145 -1.218 5.097 36 H LEU 5 HN LEU 5 8.723 0.326 1.268 37 HA LEU 5 HA LEU 5 6.950 2.451 2.212 38 1HB LEU 5 HB2 LEU 5 7.282 3.811 0.265 39 2HB LEU 5 HB1 LEU 5 8.837 3.527 1.023 40 HG LEU 5 HG LEU 5 8.853 1.526 -0.780 41 1HD1 LEU 5 HD11 LEU 5 6.673 2.162 -1.705 42 2HD1 LEU 5 HD12 LEU 5 7.965 2.325 -2.895 43 3HD1 LEU 5 HD13 LEU 5 7.313 3.758 -2.099 44 1HD2 LEU 5 HD21 LEU 5 10.694 2.946 -0.656 45 2HD2 LEU 5 HD22 LEU 5 9.728 4.384 -0.988 46 3HD2 LEU 5 HD23 LEU 5 10.064 3.229 -2.279 47 H TRP 6 HN TRP 6 7.632 -0.216 0.110 48 HA TRP 6 HA TRP 6 5.175 -0.057 -1.363 49 1HB TRP 6 HB2 TRP 6 5.874 -1.999 -2.484 50 2HB TRP 6 HB1 TRP 6 7.373 -1.153 -2.121 51 HD1 TRP 6 HD1 TRP 6 9.102 -2.359 -0.546 52 HE1 TRP 6 HE1 TRP 6 9.225 -4.724 0.464 53 HE3 TRP 6 HE3 TRP 6 4.332 -3.912 -1.528 54 HZ2 TRP 6 HZ2 TRP 6 7.523 -6.953 0.802 55 HZ3 TRP 6 HZ3 TRP 6 3.657 -6.171 -0.829 56 HH2 TRP 6 HH2 TRP 6 5.222 -7.661 0.310 57 H ASN 7 HN ASN 7 6.241 -1.581 1.581 58 HA ASN 7 HA ASN 7 4.369 -3.590 1.902 59 1HB ASN 7 HB2 ASN 7 4.647 -2.445 4.448 60 2HB ASN 7 HB1 ASN 7 5.568 -3.788 3.780 61 1HD2 ASN 7 HD21 ASN 7 5.467 -0.245 3.696 62 2HD2 ASN 7 HD22 ASN 7 7.180 -0.025 3.747 63 H TRP 8 HN TRP 8 3.983 -0.161 2.177 64 HA TRP 8 HA TRP 8 1.196 -0.536 3.034 65 1HB TRP 8 HB2 TRP 8 1.339 1.329 4.304 66 2HB TRP 8 HB1 TRP 8 3.072 1.043 4.206 67 HD1 TRP 8 HD1 TRP 8 4.505 2.708 2.715 68 HE1 TRP 8 HE1 TRP 8 3.989 5.031 1.722 69 HE3 TRP 8 HE3 TRP 8 -0.561 2.707 3.280 70 HZ2 TRP 8 HZ2 TRP 8 1.714 6.646 1.242 71 HZ3 TRP 8 HZ3 TRP 8 -1.841 4.665 2.533 72 HH2 TRP 8 HH2 TRP 8 -0.727 6.598 1.535 73 H PHE 9 HN PHE 9 3.271 0.664 0.541 74 HA PHE 9 HA PHE 9 1.502 2.359 -0.819 75 1HB PHE 9 HB2 PHE 9 4.053 1.820 -1.190 76 2HB PHE 9 HB1 PHE 9 3.426 0.637 -2.332 77 HD1 PHE 9 HD1 PHE 9 2.860 1.280 -4.491 78 HD2 PHE 9 HD2 PHE 9 3.290 4.246 -1.469 79 HE1 PHE 9 HE1 PHE 9 2.655 3.043 -6.196 80 HE2 PHE 9 HE2 PHE 9 3.083 6.013 -3.169 81 HZ PHE 9 HZ PHE 9 2.765 5.412 -5.536 82 H ASN 10 HN ASN 10 1.714 -1.101 -0.638 83 HA ASN 10 HA ASN 10 -0.051 -1.509 -2.897 84 1HB ASN 10 HB2 ASN 10 0.606 -3.677 -2.841 85 2HB ASN 10 HB1 ASN 10 1.896 -3.064 -1.813 86 1HD2 ASN 10 HD21 ASN 10 1.136 -2.853 0.569 87 2HD2 ASN 10 HD22 ASN 10 0.344 -4.250 1.205 88 H ILE 11 HN ILE 11 -0.315 -0.888 0.408 89 HA ILE 11 HA ILE 11 -2.763 -2.264 0.930 90 HB ILE 11 HB ILE 11 -1.617 0.117 2.396 91 1HG1 ILE 11 HG12 ILE 11 -1.222 -2.852 2.830 92 2HG1 ILE 11 HG11 ILE 11 0.010 -1.687 2.354 93 1HG2 ILE 11 HG21 ILE 11 -3.853 -0.097 3.059 94 2HG2 ILE 11 HG22 ILE 11 -2.944 -0.958 4.301 95 3HG2 ILE 11 HG23 ILE 11 -3.783 -1.859 3.038 96 1HD1 ILE 11 HD11 ILE 11 -1.463 -1.620 4.977 97 2HD1 ILE 11 HD12 ILE 11 -0.090 -0.623 4.496 98 3HD1 ILE 11 HD13 ILE 11 0.120 -2.358 4.731 99 H THR 12 HN THR 12 -1.895 0.873 -0.333 100 HA THR 12 HA THR 12 -4.470 2.068 -0.070 101 HB THR 12 HB THR 12 -3.312 3.409 -2.162 102 HG1 THR 12 HG1 THR 12 -1.150 3.318 -1.983 103 1HG2 THR 12 HG21 THR 12 -2.184 4.634 0.015 104 2HG2 THR 12 HG22 THR 12 -3.510 3.726 0.741 105 3HG2 THR 12 HG23 THR 12 -3.836 4.883 -0.549 106 H ASN 13 HN ASN 13 -3.610 -0.537 -1.794 107 HA ASN 13 HA ASN 13 -5.075 0.113 -4.228 108 1HB ASN 13 HB2 ASN 13 -3.642 -2.431 -3.433 109 2HB ASN 13 HB1 ASN 13 -4.327 -2.088 -5.019 110 1HD2 ASN 13 HD21 ASN 13 -3.503 0.715 -4.941 111 2HD2 ASN 13 HD22 ASN 13 -1.798 0.717 -5.222 112 H TRP 14 HN TRP 14 -5.245 -2.213 -1.531 113 HA TRP 14 HA TRP 14 -7.897 -3.029 -2.425 114 1HB TRP 14 HB2 TRP 14 -7.651 -4.521 -0.263 115 2HB TRP 14 HB1 TRP 14 -6.843 -4.954 -1.764 116 HD1 TRP 14 HD1 TRP 14 -4.146 -4.221 -1.874 117 HE1 TRP 14 HE1 TRP 14 -2.402 -4.285 0.005 118 HE3 TRP 14 HE3 TRP 14 -7.294 -4.304 2.148 119 HZ2 TRP 14 HZ2 TRP 14 -2.359 -4.369 2.829 120 HZ3 TRP 14 HZ3 TRP 14 -6.321 -4.380 4.405 121 HH2 TRP 14 HH2 TRP 14 -3.903 -4.413 4.737 122 H LEU 15 HN LEU 15 -6.363 -1.340 0.273 123 HA LEU 15 HA LEU 15 -8.639 -1.138 1.906 124 1HB LEU 15 HB2 LEU 15 -7.368 0.155 3.253 125 2HB LEU 15 HB1 LEU 15 -6.073 -0.436 2.235 126 HG LEU 15 HG LEU 15 -6.610 1.729 0.836 127 1HD1 LEU 15 HD11 LEU 15 -7.420 3.561 2.086 128 2HD1 LEU 15 HD12 LEU 15 -7.384 2.644 3.593 129 3HD1 LEU 15 HD13 LEU 15 -8.570 2.248 2.348 130 1HD2 LEU 15 HD21 LEU 15 -4.483 1.180 1.941 131 2HD2 LEU 15 HD22 LEU 15 -5.119 1.825 3.454 132 3HD2 LEU 15 HD23 LEU 15 -4.880 2.893 2.071 133 H TRP 16 HN TRP 16 -7.548 0.710 -0.860 134 HA TRP 16 HA TRP 16 -9.399 2.848 -0.625 135 1HB TRP 16 HB2 TRP 16 -7.297 2.142 -2.361 136 2HB TRP 16 HB1 TRP 16 -8.733 2.240 -3.374 137 HD1 TRP 16 HD1 TRP 16 -9.117 4.564 -4.342 138 HE1 TRP 16 HE1 TRP 16 -8.529 6.977 -3.662 139 HE3 TRP 16 HE3 TRP 16 -6.828 3.614 0.130 140 HZ2 TRP 16 HZ2 TRP 16 -7.260 8.300 -1.517 141 HZ3 TRP 16 HZ3 TRP 16 -5.952 5.509 1.432 142 HH2 TRP 16 HH2 TRP 16 -6.164 7.801 0.624 143 H TYR 17 HN TYR 17 -9.550 -0.389 -1.786 144 HA TYR 17 HA TYR 17 -12.027 -0.060 -3.231 145 1HB TYR 17 HB2 TYR 17 -11.063 -1.840 -4.233 146 2HB TYR 17 HB1 TYR 17 -10.006 -2.143 -2.861 147 HD1 TYR 17 HD1 TYR 17 -10.548 -3.805 -1.225 148 HD2 TYR 17 HD2 TYR 17 -13.310 -2.867 -4.323 149 HE1 TYR 17 HE1 TYR 17 -11.853 -5.812 -0.661 150 HE2 TYR 17 HE2 TYR 17 -14.624 -4.869 -3.765 151 HH TYR 17 HH TYR 17 -14.746 -6.703 -2.518 152 H ILE 18 HN ILE 18 -10.982 -0.833 -0.034 153 HA ILE 18 HA ILE 18 -13.374 -2.123 0.845 154 HB ILE 18 HB ILE 18 -11.220 -0.765 2.477 155 1HG1 ILE 18 HG12 ILE 18 -11.559 -3.723 1.973 156 2HG1 ILE 18 HG11 ILE 18 -10.544 -2.706 0.956 157 1HG2 ILE 18 HG21 ILE 18 -13.459 -2.629 3.245 158 2HG2 ILE 18 HG22 ILE 18 -13.179 -0.983 3.813 159 3HG2 ILE 18 HG23 ILE 18 -12.080 -2.278 4.287 160 1HD1 ILE 18 HD11 ILE 18 -10.098 -3.706 3.688 161 2HD1 ILE 18 HD12 ILE 18 -9.564 -2.056 3.364 162 3HD1 ILE 18 HD13 ILE 18 -8.951 -3.389 2.386 163 H LYS 19 HN LYS 19 -11.999 1.084 1.597 164 HA LYS 19 HA LYS 19 -14.486 2.016 2.692 165 1HB LYS 19 HB2 LYS 19 -11.811 3.285 2.169 166 2HB LYS 19 HB1 LYS 19 -13.191 4.252 2.671 167 1HG LYS 19 HG2 LYS 19 -13.399 2.874 4.695 168 2HG LYS 19 HG1 LYS 19 -11.977 1.956 4.194 169 1HD LYS 19 HD2 LYS 19 -11.034 4.494 4.036 170 2HD LYS 19 HD1 LYS 19 -12.179 4.645 5.370 171 1HE LYS 19 HE2 LYS 19 -9.732 3.998 5.888 172 2HE LYS 19 HE1 LYS 19 -11.036 3.126 6.695 173 1HZ LYS 19 HZ1 LYS 19 -10.787 1.310 5.179 174 2HZ LYS 19 HZ2 LYS 19 -9.253 1.673 5.794 175 3HZ LYS 19 HZ3 LYS 19 -9.675 2.164 4.231 176 1HN NH2 20 HN1 LYS 19 -12.660 2.958 -0.346 177 2HN NH2 20 HN2 LYS 19 -13.779 4.243 -0.629 Start of MODEL 2 1 1H LYS 1 HT1 LYS 1 16.930 -2.751 -4.261 2 2H LYS 1 HT2 LYS 1 18.373 -1.908 -3.997 3 3H LYS 1 HT3 LYS 1 17.168 -1.235 -4.973 4 HA LYS 1 HA LYS 1 17.461 -1.189 -2.123 5 1HB LYS 1 HB2 LYS 1 16.572 0.447 -4.341 6 2HB LYS 1 HB1 LYS 1 15.425 0.527 -3.010 7 1HG LYS 1 HG2 LYS 1 18.334 0.864 -2.457 8 2HG LYS 1 HG1 LYS 1 17.412 2.203 -3.145 9 1HD LYS 1 HD2 LYS 1 16.275 2.574 -1.233 10 2HD LYS 1 HD1 LYS 1 16.139 0.854 -0.862 11 1HE LYS 1 HE2 LYS 1 17.702 1.142 0.693 12 2HE LYS 1 HE1 LYS 1 18.856 1.449 -0.603 13 1HZ LYS 1 HZ1 LYS 1 17.784 3.839 -0.427 14 2HZ LYS 1 HZ2 LYS 1 19.078 3.368 0.553 15 3HZ LYS 1 HZ3 LYS 1 17.501 3.336 1.164 16 H TRP 2 HN TRP 2 15.365 -0.729 -0.853 17 HA TRP 2 HA TRP 2 13.373 -2.794 -1.527 18 1HB TRP 2 HB2 TRP 2 13.071 -3.199 0.859 19 2HB TRP 2 HB1 TRP 2 14.758 -3.432 0.414 20 HD1 TRP 2 HD1 TRP 2 16.493 -1.457 1.183 21 HE1 TRP 2 HE1 TRP 2 16.400 0.132 3.205 22 HE3 TRP 2 HE3 TRP 2 11.540 -1.930 2.365 23 HZ2 TRP 2 HZ2 TRP 2 14.482 1.060 5.054 24 HZ3 TRP 2 HZ3 TRP 2 10.657 -0.657 4.276 25 HH2 TRP 2 HH2 TRP 2 12.100 0.808 5.593 26 H ALA 3 HN ALA 3 13.669 0.296 -1.797 27 HA ALA 3 HA ALA 3 11.458 1.295 -0.247 28 1HB ALA 3 HB1 ALA 3 13.104 2.531 -2.448 29 2HB ALA 3 HB2 ALA 3 13.254 2.805 -0.713 30 3HB ALA 3 HB3 ALA 3 11.826 3.376 -1.575 31 H SER 4 HN SER 4 10.932 -0.941 -2.083 32 HA SER 4 HA SER 4 8.847 0.350 -3.710 33 1HB SER 4 HB2 SER 4 9.728 -2.237 -4.738 34 2HB SER 4 HB1 SER 4 9.506 -0.706 -5.585 35 HG SER 4 HG SER 4 11.754 -1.393 -3.990 36 H LEU 5 HN LEU 5 8.805 -0.823 -0.992 37 HA LEU 5 HA LEU 5 6.699 -2.815 -1.487 38 1HB LEU 5 HB2 LEU 5 7.391 -4.075 0.461 39 2HB LEU 5 HB1 LEU 5 8.714 -3.953 -0.681 40 HG LEU 5 HG LEU 5 9.335 -1.867 0.880 41 1HD1 LEU 5 HD11 LEU 5 8.623 -3.608 3.095 42 2HD1 LEU 5 HD12 LEU 5 7.214 -2.938 2.272 43 3HD1 LEU 5 HD13 LEU 5 8.449 -1.861 2.925 44 1HD2 LEU 5 HD21 LEU 5 11.027 -3.372 0.587 45 2HD2 LEU 5 HD22 LEU 5 10.014 -4.758 0.992 46 3HD2 LEU 5 HD23 LEU 5 10.621 -3.707 2.271 47 H TRP 6 HN TRP 6 7.598 0.108 -0.089 48 HA TRP 6 HA TRP 6 5.500 -0.003 1.942 49 1HB TRP 6 HB2 TRP 6 6.509 1.788 3.005 50 2HB TRP 6 HB1 TRP 6 7.898 0.979 2.291 51 HD1 TRP 6 HD1 TRP 6 9.346 2.344 0.606 52 HE1 TRP 6 HE1 TRP 6 9.262 4.757 -0.286 53 HE3 TRP 6 HE3 TRP 6 4.730 3.698 2.344 54 HZ2 TRP 6 HZ2 TRP 6 7.476 6.945 -0.259 55 HZ3 TRP 6 HZ3 TRP 6 3.905 5.964 1.864 56 HH2 TRP 6 HH2 TRP 6 5.253 7.556 0.592 57 H ASN 7 HN ASN 7 6.344 1.648 -1.045 58 HA ASN 7 HA ASN 7 4.419 3.644 -1.070 59 1HB ASN 7 HB2 ASN 7 4.537 2.928 -3.710 60 2HB ASN 7 HB1 ASN 7 5.691 3.985 -2.901 61 1HD2 ASN 7 HD21 ASN 7 5.101 0.489 -3.118 62 2HD2 ASN 7 HD22 ASN 7 6.738 0.065 -3.470 63 H TRP 8 HN TRP 8 4.035 0.252 -1.371 64 HA TRP 8 HA TRP 8 1.266 0.584 -2.300 65 1HB TRP 8 HB2 TRP 8 1.411 -1.406 -3.375 66 2HB TRP 8 HB1 TRP 8 3.137 -1.070 -3.317 67 HD1 TRP 8 HD1 TRP 8 4.619 -2.553 -1.678 68 HE1 TRP 8 HE1 TRP 8 4.163 -4.790 -0.479 69 HE3 TRP 8 HE3 TRP 8 -0.441 -2.737 -2.238 70 HZ2 TRP 8 HZ2 TRP 8 1.932 -6.416 0.145 71 HZ3 TRP 8 HZ3 TRP 8 -1.668 -4.649 -1.318 72 HH2 TRP 8 HH2 TRP 8 -0.509 -6.457 -0.149 73 H PHE 9 HN PHE 9 3.213 -0.257 0.393 74 HA PHE 9 HA PHE 9 1.378 -1.874 1.813 75 1HB PHE 9 HB2 PHE 9 3.966 -1.119 2.206 76 2HB PHE 9 HB1 PHE 9 3.145 -0.136 3.413 77 HD1 PHE 9 HD1 PHE 9 2.144 -1.124 5.344 78 HD2 PHE 9 HD2 PHE 9 3.882 -3.562 2.319 79 HE1 PHE 9 HE1 PHE 9 2.056 -3.061 6.860 80 HE2 PHE 9 HE2 PHE 9 3.796 -5.503 3.829 81 HZ PHE 9 HZ PHE 9 2.882 -5.254 6.102 82 H ASN 10 HN ASN 10 1.687 1.547 1.342 83 HA ASN 10 HA ASN 10 -0.213 2.180 3.449 84 1HB ASN 10 HB2 ASN 10 0.149 4.515 2.795 85 2HB ASN 10 HB1 ASN 10 1.687 3.697 3.053 86 1HD2 ASN 10 HD21 ASN 10 -0.529 4.935 0.647 87 2HD2 ASN 10 HD22 ASN 10 0.624 5.044 -0.636 88 H ILE 11 HN ILE 11 -0.375 1.018 0.382 89 HA ILE 11 HA ILE 11 -2.682 2.535 -0.504 90 HB ILE 11 HB ILE 11 -1.398 0.093 -1.737 91 1HG1 ILE 11 HG12 ILE 11 -1.039 3.051 -2.265 92 2HG1 ILE 11 HG11 ILE 11 0.189 1.907 -1.727 93 1HG2 ILE 11 HG21 ILE 11 -3.898 1.106 -2.220 94 2HG2 ILE 11 HG22 ILE 11 -2.950 0.137 -3.348 95 3HG2 ILE 11 HG23 ILE 11 -2.920 1.897 -3.455 96 1HD1 ILE 11 HD11 ILE 11 -0.451 0.731 -4.015 97 2HD1 ILE 11 HD12 ILE 11 0.736 2.032 -3.921 98 3HD1 ILE 11 HD13 ILE 11 -0.916 2.380 -4.433 99 H THR 12 HN THR 12 -1.957 -0.500 1.043 100 HA THR 12 HA THR 12 -4.453 -1.776 0.588 101 HB THR 12 HB THR 12 -3.603 -2.889 2.925 102 HG1 THR 12 HG1 THR 12 -1.324 -2.911 2.848 103 1HG2 THR 12 HG21 THR 12 -4.061 -3.999 0.742 104 2HG2 THR 12 HG22 THR 12 -2.640 -4.633 1.571 105 3HG2 THR 12 HG23 THR 12 -2.447 -3.528 0.211 106 H ASN 13 HN ASN 13 -3.897 1.015 2.162 107 HA ASN 13 HA ASN 13 -5.679 0.535 4.417 108 1HB ASN 13 HB2 ASN 13 -3.820 2.715 3.603 109 2HB ASN 13 HB1 ASN 13 -5.199 3.157 4.605 110 1HD2 ASN 13 HD21 ASN 13 -2.216 1.409 4.440 111 2HD2 ASN 13 HD22 ASN 13 -2.069 1.088 6.131 112 H TRP 14 HN TRP 14 -5.574 2.471 1.437 113 HA TRP 14 HA TRP 14 -8.360 3.248 1.871 114 1HB TRP 14 HB2 TRP 14 -7.868 4.560 -0.352 115 2HB TRP 14 HB1 TRP 14 -7.283 5.165 1.192 116 HD1 TRP 14 HD1 TRP 14 -4.596 4.491 1.720 117 HE1 TRP 14 HE1 TRP 14 -2.623 4.515 0.078 118 HE3 TRP 14 HE3 TRP 14 -7.195 4.267 -2.674 119 HZ2 TRP 14 HZ2 TRP 14 -2.217 4.453 -2.717 120 HZ3 TRP 14 HZ3 TRP 14 -5.939 4.256 -4.789 121 HH2 TRP 14 HH2 TRP 14 -3.500 4.348 -4.808 122 H LEU 15 HN LEU 15 -6.331 1.461 -0.395 123 HA LEU 15 HA LEU 15 -8.293 0.944 -2.330 124 1HB LEU 15 HB2 LEU 15 -6.716 -0.313 -3.333 125 2HB LEU 15 HB1 LEU 15 -5.658 0.400 -2.135 126 HG LEU 15 HG LEU 15 -6.366 -1.715 -0.729 127 1HD1 LEU 15 HD11 LEU 15 -7.075 -3.557 -1.869 128 2HD1 LEU 15 HD12 LEU 15 -6.371 -3.020 -3.394 129 3HD1 LEU 15 HD13 LEU 15 -7.877 -2.304 -2.817 130 1HD2 LEU 15 HD21 LEU 15 -4.384 -1.861 -2.995 131 2HD2 LEU 15 HD22 LEU 15 -4.375 -2.840 -1.528 132 3HD2 LEU 15 HD23 LEU 15 -4.089 -1.102 -1.430 133 H TRP 16 HN TRP 16 -7.519 -0.621 0.713 134 HA TRP 16 HA TRP 16 -9.170 -2.897 0.398 135 1HB TRP 16 HB2 TRP 16 -7.438 -1.880 2.370 136 2HB TRP 16 HB1 TRP 16 -9.009 -2.020 3.150 137 HD1 TRP 16 HD1 TRP 16 -9.320 -4.271 4.295 138 HE1 TRP 16 HE1 TRP 16 -8.491 -6.679 3.915 139 HE3 TRP 16 HE3 TRP 16 -6.545 -3.515 0.072 140 HZ2 TRP 16 HZ2 TRP 16 -6.872 -8.072 2.068 141 HZ3 TRP 16 HZ3 TRP 16 -5.385 -5.436 -0.940 142 HH2 TRP 16 HH2 TRP 16 -5.546 -7.666 0.040 143 H TYR 17 HN TYR 17 -9.740 0.399 1.245 144 HA TYR 17 HA TYR 17 -12.377 -0.028 2.320 145 1HB TYR 17 HB2 TYR 17 -11.677 1.911 3.257 146 2HB TYR 17 HB1 TYR 17 -10.517 2.222 1.972 147 HD1 TYR 17 HD1 TYR 17 -11.048 3.686 0.162 148 HD2 TYR 17 HD2 TYR 17 -14.035 2.649 3.009 149 HE1 TYR 17 HE1 TYR 17 -12.497 5.467 -0.719 150 HE2 TYR 17 HE2 TYR 17 -15.494 4.425 2.135 151 HH TYR 17 HH TYR 17 -14.849 6.057 -0.796 152 H ILE 18 HN ILE 18 -10.929 0.681 -0.758 153 HA ILE 18 HA ILE 18 -13.286 1.583 -2.076 154 HB ILE 18 HB ILE 18 -10.761 0.402 -3.246 155 1HG1 ILE 18 HG12 ILE 18 -11.501 3.317 -3.200 156 2HG1 ILE 18 HG11 ILE 18 -10.695 2.577 -1.820 157 1HG2 ILE 18 HG21 ILE 18 -12.853 0.385 -4.688 158 2HG2 ILE 18 HG22 ILE 18 -11.439 1.203 -5.353 159 3HG2 ILE 18 HG23 ILE 18 -12.758 2.146 -4.661 160 1HD1 ILE 18 HD11 ILE 18 -9.035 3.594 -3.175 161 2HD1 ILE 18 HD12 ILE 18 -9.663 2.821 -4.631 162 3HD1 ILE 18 HD13 ILE 18 -8.886 1.848 -3.382 163 H LYS 19 HN LYS 19 -11.546 -1.526 -2.101 164 HA LYS 19 HA LYS 19 -13.682 -2.805 -3.571 165 1HB LYS 19 HB2 LYS 19 -11.287 -4.119 -2.289 166 2HB LYS 19 HB1 LYS 19 -12.285 -4.751 -3.591 167 1HG LYS 19 HG2 LYS 19 -11.371 -2.336 -4.575 168 2HG LYS 19 HG1 LYS 19 -9.988 -2.994 -3.698 169 1HD LYS 19 HD2 LYS 19 -11.314 -5.035 -5.256 170 2HD LYS 19 HD1 LYS 19 -10.826 -3.673 -6.268 171 1HE LYS 19 HE2 LYS 19 -9.028 -5.255 -6.214 172 2HE LYS 19 HE1 LYS 19 -8.549 -3.835 -5.281 173 1HZ LYS 19 HZ1 LYS 19 -8.141 -6.190 -4.316 174 2HZ LYS 19 HZ2 LYS 19 -9.783 -6.138 -3.913 175 3HZ LYS 19 HZ3 LYS 19 -8.726 -4.972 -3.294 176 1HN NH2 20 HN1 LYS 19 -12.974 -2.612 0.016 177 2HN NH2 20 HN2 LYS 19 -14.699 -2.639 -0.056 Start of MODEL 3 1 1H LYS 1 HT1 LYS 1 18.891 -0.218 -2.316 2 2H LYS 1 HT2 LYS 1 17.522 0.107 -3.254 3 3H LYS 1 HT3 LYS 1 17.842 -1.474 -2.745 4 HA LYS 1 HA LYS 1 17.716 -0.484 -0.385 5 1HB LYS 1 HB2 LYS 1 16.950 1.703 -2.133 6 2HB LYS 1 HB1 LYS 1 15.676 1.337 -0.977 7 1HG LYS 1 HG2 LYS 1 18.441 1.546 0.065 8 2HG LYS 1 HG1 LYS 1 17.641 3.034 -0.444 9 1HD LYS 1 HD2 LYS 1 16.290 3.038 1.340 10 2HD LYS 1 HD1 LYS 1 15.913 1.324 1.156 11 1HE LYS 1 HE2 LYS 1 17.061 1.079 3.067 12 2HE LYS 1 HE1 LYS 1 18.488 1.228 2.044 13 1HZ LYS 1 HZ1 LYS 1 18.042 3.772 2.489 14 2HZ LYS 1 HZ2 LYS 1 18.940 2.827 3.567 15 3HZ LYS 1 HZ3 LYS 1 17.314 3.164 3.890 16 H TRP 2 HN TRP 2 15.127 -0.062 0.341 17 HA TRP 2 HA TRP 2 13.624 -2.205 -1.005 18 1HB TRP 2 HB2 TRP 2 12.784 -2.941 1.190 19 2HB TRP 2 HB1 TRP 2 14.536 -3.082 1.085 20 HD1 TRP 2 HD1 TRP 2 15.987 -1.261 2.502 21 HE1 TRP 2 HE1 TRP 2 15.398 0.040 4.643 22 HE3 TRP 2 HE3 TRP 2 10.910 -1.859 2.449 23 HZ2 TRP 2 HZ2 TRP 2 13.087 0.722 6.115 24 HZ3 TRP 2 HZ3 TRP 2 9.584 -0.853 4.259 25 HH2 TRP 2 HH2 TRP 2 10.651 0.410 6.055 26 H ALA 3 HN ALA 3 13.607 0.871 -0.917 27 HA ALA 3 HA ALA 3 11.043 1.503 0.235 28 1HB ALA 3 HB1 ALA 3 11.625 3.661 -0.025 29 2HB ALA 3 HB2 ALA 3 12.238 3.409 -1.660 30 3HB ALA 3 HB3 ALA 3 13.238 2.989 -0.269 31 H SER 4 HN SER 4 11.338 -0.485 -2.049 32 HA SER 4 HA SER 4 9.500 0.818 -3.944 33 1HB SER 4 HB2 SER 4 10.752 -1.739 -4.735 34 2HB SER 4 HB1 SER 4 10.489 -0.270 -5.674 35 HG SER 4 HG SER 4 12.564 -0.032 -5.388 36 H LEU 5 HN LEU 5 8.927 -0.551 -1.335 37 HA LEU 5 HA LEU 5 6.997 -2.497 -2.402 38 1HB LEU 5 HB2 LEU 5 7.254 -3.856 -0.411 39 2HB LEU 5 HB1 LEU 5 8.789 -3.680 -1.239 40 HG LEU 5 HG LEU 5 9.042 -1.677 0.526 41 1HD1 LEU 5 HD11 LEU 5 7.281 -3.709 1.889 42 2HD1 LEU 5 HD12 LEU 5 6.887 -2.019 1.570 43 3HD1 LEU 5 HD13 LEU 5 8.175 -2.426 2.704 44 1HD2 LEU 5 HD21 LEU 5 10.799 -3.077 0.660 45 2HD2 LEU 5 HD22 LEU 5 9.798 -4.518 0.483 46 3HD2 LEU 5 HD23 LEU 5 9.932 -3.725 2.052 47 H TRP 6 HN TRP 6 7.634 0.186 -0.331 48 HA TRP 6 HA TRP 6 5.180 -0.013 1.149 49 1HB TRP 6 HB2 TRP 6 5.939 1.746 2.392 50 2HB TRP 6 HB1 TRP 6 7.476 1.219 1.717 51 HD1 TRP 6 HD1 TRP 6 8.678 2.836 -0.004 52 HE1 TRP 6 HE1 TRP 6 8.289 5.296 -0.654 53 HE3 TRP 6 HE3 TRP 6 4.046 3.497 2.055 54 HZ2 TRP 6 HZ2 TRP 6 6.283 7.257 -0.337 55 HZ3 TRP 6 HZ3 TRP 6 2.960 5.694 1.836 56 HH2 TRP 6 HH2 TRP 6 4.057 7.535 0.667 57 H ASN 7 HN ASN 7 6.193 1.449 -1.835 58 HA ASN 7 HA ASN 7 4.272 3.431 -2.154 59 1HB ASN 7 HB2 ASN 7 4.551 2.368 -4.702 60 2HB ASN 7 HB1 ASN 7 5.541 3.638 -3.992 61 1HD2 ASN 7 HD21 ASN 7 5.284 0.099 -3.875 62 2HD2 ASN 7 HD22 ASN 7 6.980 -0.195 -4.019 63 H TRP 8 HN TRP 8 3.948 0.009 -2.227 64 HA TRP 8 HA TRP 8 1.154 0.285 -3.115 65 1HB TRP 8 HB2 TRP 8 1.316 -1.612 -4.341 66 2HB TRP 8 HB1 TRP 8 3.041 -1.270 -4.297 67 HD1 TRP 8 HD1 TRP 8 4.572 -2.866 -2.844 68 HE1 TRP 8 HE1 TRP 8 4.157 -5.170 -1.761 69 HE3 TRP 8 HE3 TRP 8 -0.518 -3.011 -3.185 70 HZ2 TRP 8 HZ2 TRP 8 1.951 -6.825 -1.135 71 HZ3 TRP 8 HZ3 TRP 8 -1.708 -4.978 -2.323 72 HH2 TRP 8 HH2 TRP 8 -0.499 -6.850 -1.320 73 H PHE 9 HN PHE 9 3.315 -0.832 -0.648 74 HA PHE 9 HA PHE 9 1.530 -2.474 0.802 75 1HB PHE 9 HB2 PHE 9 4.188 -1.773 1.038 76 2HB PHE 9 HB1 PHE 9 3.458 -0.990 2.434 77 HD1 PHE 9 HD1 PHE 9 3.131 -4.279 0.688 78 HD2 PHE 9 HD2 PHE 9 3.590 -2.195 4.371 79 HE1 PHE 9 HE1 PHE 9 3.158 -6.424 1.894 80 HE2 PHE 9 HE2 PHE 9 3.617 -4.336 5.583 81 HZ PHE 9 HZ PHE 9 3.402 -6.454 4.344 82 H ASN 10 HN ASN 10 1.830 0.927 0.449 83 HA ASN 10 HA ASN 10 0.272 1.518 2.829 84 1HB ASN 10 HB2 ASN 10 0.942 3.694 2.588 85 2HB ASN 10 HB1 ASN 10 2.231 2.927 1.666 86 1HD2 ASN 10 HD21 ASN 10 1.545 2.526 -0.708 87 2HD2 ASN 10 HD22 ASN 10 0.838 3.886 -1.503 88 H ILE 11 HN ILE 11 -0.235 0.728 -0.395 89 HA ILE 11 HA ILE 11 -2.641 2.221 -0.837 90 HB ILE 11 HB ILE 11 -1.678 -0.237 -2.307 91 1HG1 ILE 11 HG12 ILE 11 -1.150 2.700 -2.817 92 2HG1 ILE 11 HG11 ILE 11 0.041 1.479 -2.376 93 1HG2 ILE 11 HG21 ILE 11 -4.095 0.500 -2.545 94 2HG2 ILE 11 HG22 ILE 11 -3.164 0.360 -4.036 95 3HG2 ILE 11 HG23 ILE 11 -3.470 1.948 -3.334 96 1HD1 ILE 11 HD11 ILE 11 0.266 1.899 -4.696 97 2HD1 ILE 11 HD12 ILE 11 -1.468 1.721 -4.964 98 3HD1 ILE 11 HD13 ILE 11 -0.495 0.317 -4.526 99 H THR 12 HN THR 12 -1.818 -0.887 0.500 100 HA THR 12 HA THR 12 -4.402 -2.057 0.358 101 HB THR 12 HB THR 12 -3.330 -3.345 2.463 102 HG1 THR 12 HG1 THR 12 -1.473 -1.701 2.089 103 1HG2 THR 12 HG21 THR 12 -3.834 -3.988 -0.072 104 2HG2 THR 12 HG22 THR 12 -2.904 -5.041 0.995 105 3HG2 THR 12 HG23 THR 12 -2.071 -3.988 -0.150 106 H ASN 13 HN ASN 13 -3.483 0.634 1.949 107 HA ASN 13 HA ASN 13 -4.960 0.146 4.409 108 1HB ASN 13 HB2 ASN 13 -3.116 2.262 3.419 109 2HB ASN 13 HB1 ASN 13 -4.316 2.729 4.621 110 1HD2 ASN 13 HD21 ASN 13 -2.589 -0.326 4.241 111 2HD2 ASN 13 HD22 ASN 13 -1.800 -0.277 5.778 112 H TRP 14 HN TRP 14 -5.146 2.250 1.549 113 HA TRP 14 HA TRP 14 -7.810 3.117 2.384 114 1HB TRP 14 HB2 TRP 14 -7.531 4.548 0.199 115 2HB TRP 14 HB1 TRP 14 -6.719 5.020 1.685 116 HD1 TRP 14 HD1 TRP 14 -4.027 4.167 1.815 117 HE1 TRP 14 HE1 TRP 14 -2.284 4.187 -0.070 118 HE3 TRP 14 HE3 TRP 14 -7.179 4.386 -2.198 119 HZ2 TRP 14 HZ2 TRP 14 -2.248 4.293 -2.894 120 HZ3 TRP 14 HZ3 TRP 14 -6.213 4.449 -4.457 121 HH2 TRP 14 HH2 TRP 14 -3.795 4.403 -4.797 122 H LEU 15 HN LEU 15 -6.188 1.349 -0.201 123 HA LEU 15 HA LEU 15 -8.404 1.070 -1.902 124 1HB LEU 15 HB2 LEU 15 -7.065 -0.246 -3.157 125 2HB LEU 15 HB1 LEU 15 -5.814 0.361 -2.094 126 HG LEU 15 HG LEU 15 -6.432 -1.763 -0.670 127 1HD1 LEU 15 HD11 LEU 15 -6.795 -3.221 -3.142 128 2HD1 LEU 15 HD12 LEU 15 -8.139 -2.123 -2.824 129 3HD1 LEU 15 HD13 LEU 15 -7.686 -3.333 -1.623 130 1HD2 LEU 15 HD21 LEU 15 -4.666 -2.980 -1.805 131 2HD2 LEU 15 HD22 LEU 15 -4.252 -1.270 -1.687 132 3HD2 LEU 15 HD23 LEU 15 -4.827 -1.933 -3.216 133 H TRP 16 HN TRP 16 -7.363 -0.689 0.943 134 HA TRP 16 HA TRP 16 -9.170 -2.852 0.763 135 1HB TRP 16 HB2 TRP 16 -7.196 -1.944 2.578 136 2HB TRP 16 HB1 TRP 16 -8.685 -2.103 3.502 137 HD1 TRP 16 HD1 TRP 16 -8.874 -4.390 4.595 138 HE1 TRP 16 HE1 TRP 16 -8.134 -6.789 4.030 139 HE3 TRP 16 HE3 TRP 16 -6.612 -3.502 0.097 140 HZ2 TRP 16 HZ2 TRP 16 -6.769 -8.127 1.954 141 HZ3 TRP 16 HZ3 TRP 16 -5.612 -5.396 -1.113 142 HH2 TRP 16 HH2 TRP 16 -5.689 -7.660 -0.203 143 H TYR 17 HN TYR 17 -9.461 0.445 1.728 144 HA TYR 17 HA TYR 17 -11.975 0.151 3.094 145 1HB TYR 17 HB2 TYR 17 -11.029 2.037 3.939 146 2HB TYR 17 HB1 TYR 17 -10.074 2.326 2.490 147 HD1 TYR 17 HD1 TYR 17 -10.776 3.894 0.859 148 HD2 TYR 17 HD2 TYR 17 -13.424 2.787 4.001 149 HE1 TYR 17 HE1 TYR 17 -12.286 5.732 0.228 150 HE2 TYR 17 HE2 TYR 17 -14.941 4.619 3.377 151 HH TYR 17 HH TYR 17 -14.090 7.152 1.500 152 H ILE 18 HN ILE 18 -10.860 0.943 -0.127 153 HA ILE 18 HA ILE 18 -13.321 1.916 -1.146 154 HB ILE 18 HB ILE 18 -10.962 0.697 -2.590 155 1HG1 ILE 18 HG12 ILE 18 -11.651 3.605 -2.624 156 2HG1 ILE 18 HG11 ILE 18 -10.874 2.947 -1.188 157 1HG2 ILE 18 HG21 ILE 18 -12.219 2.364 -4.369 158 2HG2 ILE 18 HG22 ILE 18 -13.572 1.586 -3.547 159 3HG2 ILE 18 HG23 ILE 18 -12.344 0.605 -4.347 160 1HD1 ILE 18 HD11 ILE 18 -8.889 2.788 -2.199 161 2HD1 ILE 18 HD12 ILE 18 -9.579 3.912 -3.369 162 3HD1 ILE 18 HD13 ILE 18 -9.590 2.180 -3.699 163 H LYS 19 HN LYS 19 -11.684 -1.163 -1.922 164 HA LYS 19 HA LYS 19 -14.081 -2.335 -2.932 165 1HB LYS 19 HB2 LYS 19 -11.518 -3.730 -2.149 166 2HB LYS 19 HB1 LYS 19 -12.766 -4.345 -3.223 167 1HG LYS 19 HG2 LYS 19 -12.173 -2.916 -4.946 168 2HG LYS 19 HG1 LYS 19 -11.346 -1.795 -3.862 169 1HD LYS 19 HD2 LYS 19 -9.567 -3.404 -3.508 170 2HD LYS 19 HD1 LYS 19 -10.412 -4.592 -4.503 171 1HE LYS 19 HE2 LYS 19 -8.963 -3.762 -6.057 172 2HE LYS 19 HE1 LYS 19 -10.311 -2.647 -6.286 173 1HZ LYS 19 HZ1 LYS 19 -7.817 -2.163 -4.745 174 2HZ LYS 19 HZ2 LYS 19 -9.159 -1.136 -4.681 175 3HZ LYS 19 HZ3 LYS 19 -8.336 -1.359 -6.142 176 1HN NH2 20 HN1 LYS 19 -12.273 -2.753 0.137 177 2HN NH2 20 HN2 LYS 19 -13.632 -3.410 0.977 Start of MODEL 4 1 1H LYS 1 HT1 LYS 1 15.144 1.296 5.256 2 2H LYS 1 HT2 LYS 1 16.815 1.517 5.404 3 3H LYS 1 HT3 LYS 1 16.167 -0.045 5.387 4 HA LYS 1 HA LYS 1 17.037 1.505 3.226 5 1HB LYS 1 HB2 LYS 1 16.358 -1.218 3.944 6 2HB LYS 1 HB1 LYS 1 15.826 -0.852 2.308 7 1HG LYS 1 HG2 LYS 1 18.604 -0.186 3.192 8 2HG LYS 1 HG1 LYS 1 18.183 -1.819 2.672 9 1HD LYS 1 HD2 LYS 1 17.091 -0.327 0.680 10 2HD LYS 1 HD1 LYS 1 18.503 0.643 1.102 11 1HE LYS 1 HE2 LYS 1 19.088 -0.921 -0.642 12 2HE LYS 1 HE1 LYS 1 19.918 -1.361 0.850 13 1HZ LYS 1 HZ1 LYS 1 18.095 -2.993 1.232 14 2HZ LYS 1 HZ2 LYS 1 19.063 -3.336 -0.112 15 3HZ LYS 1 HZ3 LYS 1 17.527 -2.662 -0.327 16 H TRP 2 HN TRP 2 15.896 1.490 1.075 17 HA TRP 2 HA TRP 2 13.390 2.855 1.348 18 1HB TRP 2 HB2 TRP 2 13.554 3.312 -0.980 19 2HB TRP 2 HB1 TRP 2 15.197 3.394 -0.353 20 HD1 TRP 2 HD1 TRP 2 16.847 1.324 -0.991 21 HE1 TRP 2 HE1 TRP 2 16.818 -0.277 -3.005 22 HE3 TRP 2 HE3 TRP 2 12.056 2.111 -2.590 23 HZ2 TRP 2 HZ2 TRP 2 15.002 -1.097 -5.005 24 HZ3 TRP 2 HZ3 TRP 2 11.251 0.880 -4.560 25 HH2 TRP 2 HH2 TRP 2 12.695 -0.692 -5.742 26 H ALA 3 HN ALA 3 14.085 -0.328 1.444 27 HA ALA 3 HA ALA 3 12.005 -1.347 -0.264 28 1HB ALA 3 HB1 ALA 3 12.890 -3.201 1.768 29 2HB ALA 3 HB2 ALA 3 14.254 -2.422 0.966 30 3HB ALA 3 HB3 ALA 3 13.050 -3.291 0.014 31 H SER 4 HN SER 4 11.280 0.607 1.843 32 HA SER 4 HA SER 4 9.211 -1.017 3.156 33 1HB SER 4 HB2 SER 4 11.200 0.793 4.395 34 2HB SER 4 HB1 SER 4 9.545 0.948 4.986 35 HG SER 4 HG SER 4 11.321 -1.196 5.182 36 H LEU 5 HN LEU 5 9.047 0.506 0.722 37 HA LEU 5 HA LEU 5 7.060 2.506 1.566 38 1HB LEU 5 HB2 LEU 5 7.665 3.928 -0.293 39 2HB LEU 5 HB1 LEU 5 9.064 3.637 0.722 40 HG LEU 5 HG LEU 5 9.457 1.697 -1.090 41 1HD1 LEU 5 HD11 LEU 5 7.646 3.681 -2.359 42 2HD1 LEU 5 HD12 LEU 5 7.795 1.945 -2.631 43 3HD1 LEU 5 HD13 LEU 5 8.989 3.049 -3.313 44 1HD2 LEU 5 HD21 LEU 5 10.686 3.700 -2.379 45 2HD2 LEU 5 HD22 LEU 5 11.270 3.029 -0.856 46 3HD2 LEU 5 HD23 LEU 5 10.318 4.513 -0.858 47 H TRP 6 HN TRP 6 7.533 -0.374 0.072 48 HA TRP 6 HA TRP 6 5.406 0.040 -1.905 49 1HB TRP 6 HB2 TRP 6 6.197 -1.807 -3.081 50 2HB TRP 6 HB1 TRP 6 7.679 -1.098 -2.454 51 HD1 TRP 6 HD1 TRP 6 9.114 -2.545 -0.798 52 HE1 TRP 6 HE1 TRP 6 8.958 -4.981 0.020 53 HE3 TRP 6 HE3 TRP 6 4.415 -3.666 -2.474 54 HZ2 TRP 6 HZ2 TRP 6 7.089 -7.098 -0.037 55 HZ3 TRP 6 HZ3 TRP 6 3.515 -5.916 -2.049 56 HH2 TRP 6 HH2 TRP 6 4.828 -7.597 -0.857 57 H ASN 7 HN ASN 7 6.221 -1.746 0.995 58 HA ASN 7 HA ASN 7 4.197 -3.641 1.022 59 1HB ASN 7 HB2 ASN 7 4.457 -2.828 3.687 60 2HB ASN 7 HB1 ASN 7 5.321 -4.137 2.890 61 1HD2 ASN 7 HD21 ASN 7 5.445 -0.605 3.197 62 2HD2 ASN 7 HD22 ASN 7 7.163 -0.509 3.347 63 H TRP 8 HN TRP 8 3.996 -0.240 1.420 64 HA TRP 8 HA TRP 8 1.226 -0.461 2.382 65 1HB TRP 8 HB2 TRP 8 1.518 1.440 3.572 66 2HB TRP 8 HB1 TRP 8 3.231 1.083 3.390 67 HD1 TRP 8 HD1 TRP 8 4.645 2.646 1.783 68 HE1 TRP 8 HE1 TRP 8 4.160 4.940 0.713 69 HE3 TRP 8 HE3 TRP 8 -0.393 2.840 2.550 70 HZ2 TRP 8 HZ2 TRP 8 1.925 6.610 0.259 71 HZ3 TRP 8 HZ3 TRP 8 -1.636 4.812 1.773 72 HH2 TRP 8 HH2 TRP 8 -0.500 6.661 0.649 73 H PHE 9 HN PHE 9 3.238 0.554 -0.236 74 HA PHE 9 HA PHE 9 1.485 2.273 -1.589 75 1HB PHE 9 HB2 PHE 9 4.027 1.429 -2.000 76 2HB PHE 9 HB1 PHE 9 3.186 0.515 -3.247 77 HD1 PHE 9 HD1 PHE 9 4.097 3.856 -2.061 78 HD2 PHE 9 HD2 PHE 9 2.191 1.616 -5.136 79 HE1 PHE 9 HE1 PHE 9 4.106 5.845 -3.508 80 HE2 PHE 9 HE2 PHE 9 2.196 3.602 -6.590 81 HZ PHE 9 HZ PHE 9 3.155 5.720 -5.776 82 H ASN 10 HN ASN 10 1.583 -1.187 -1.315 83 HA ASN 10 HA ASN 10 -0.309 -1.569 -3.486 84 1HB ASN 10 HB2 ASN 10 -0.037 -3.935 -3.092 85 2HB ASN 10 HB1 ASN 10 1.556 -3.185 -3.091 86 1HD2 ASN 10 HD21 ASN 10 -0.783 -4.914 -1.282 87 2HD2 ASN 10 HD22 ASN 10 0.145 -5.096 0.164 88 H ILE 11 HN ILE 11 -0.386 -0.879 -0.200 89 HA ILE 11 HA ILE 11 -2.793 -2.289 0.470 90 HB ILE 11 HB ILE 11 -1.578 0.065 1.920 91 1HG1 ILE 11 HG12 ILE 11 -1.065 -2.904 2.210 92 2HG1 ILE 11 HG11 ILE 11 0.097 -1.678 1.710 93 1HG2 ILE 11 HG21 ILE 11 -3.845 -0.356 2.603 94 2HG2 ILE 11 HG22 ILE 11 -2.758 -0.922 3.871 95 3HG2 ILE 11 HG23 ILE 11 -3.516 -2.079 2.778 96 1HD1 ILE 11 HD11 ILE 11 -0.614 -2.563 4.350 97 2HD1 ILE 11 HD12 ILE 11 -0.841 -0.822 4.191 98 3HD1 ILE 11 HD13 ILE 11 0.726 -1.543 3.826 99 H THR 12 HN THR 12 -1.983 0.895 -0.738 100 HA THR 12 HA THR 12 -4.473 2.144 -0.272 101 HB THR 12 HB THR 12 -3.537 3.382 -2.537 102 HG1 THR 12 HG1 THR 12 -1.267 2.476 -1.068 103 1HG2 THR 12 HG21 THR 12 -2.518 5.007 -0.980 104 2HG2 THR 12 HG22 THR 12 -2.698 3.838 0.328 105 3HG2 THR 12 HG23 THR 12 -4.127 4.501 -0.465 106 H ASN 13 HN ASN 13 -3.832 -0.487 -2.145 107 HA ASN 13 HA ASN 13 -5.648 0.188 -4.316 108 1HB ASN 13 HB2 ASN 13 -3.608 -1.865 -3.825 109 2HB ASN 13 HB1 ASN 13 -5.051 -2.477 -4.628 110 1HD2 ASN 13 HD21 ASN 13 -3.077 0.470 -4.785 111 2HD2 ASN 13 HD22 ASN 13 -2.915 0.472 -6.505 112 H TRP 14 HN TRP 14 -5.449 -2.263 -1.717 113 HA TRP 14 HA TRP 14 -8.223 -2.985 -2.205 114 1HB TRP 14 HB2 TRP 14 -7.736 -4.546 -0.167 115 2HB TRP 14 HB1 TRP 14 -7.071 -4.930 -1.747 116 HD1 TRP 14 HD1 TRP 14 -4.397 -4.187 -2.082 117 HE1 TRP 14 HE1 TRP 14 -2.487 -4.306 -0.373 118 HE3 TRP 14 HE3 TRP 14 -7.164 -4.401 2.207 119 HZ2 TRP 14 HZ2 TRP 14 -2.186 -4.476 2.432 120 HZ3 TRP 14 HZ3 TRP 14 -5.989 -4.545 4.363 121 HH2 TRP 14 HH2 TRP 14 -3.550 -4.582 4.472 122 H LEU 15 HN LEU 15 -6.279 -1.456 0.331 123 HA LEU 15 HA LEU 15 -8.272 -1.228 2.270 124 1HB LEU 15 HB2 LEU 15 -6.776 0.011 3.419 125 2HB LEU 15 HB1 LEU 15 -5.673 -0.516 2.167 126 HG LEU 15 HG LEU 15 -6.474 1.687 0.972 127 1HD1 LEU 15 HD11 LEU 15 -7.143 3.437 2.362 128 2HD1 LEU 15 HD12 LEU 15 -6.711 2.559 3.830 129 3HD1 LEU 15 HD13 LEU 15 -8.126 2.071 2.894 130 1HD2 LEU 15 HD21 LEU 15 -4.539 2.782 1.791 131 2HD2 LEU 15 HD22 LEU 15 -4.179 1.055 1.794 132 3HD2 LEU 15 HD23 LEU 15 -4.583 1.875 3.303 133 H TRP 16 HN TRP 16 -7.573 0.712 -0.570 134 HA TRP 16 HA TRP 16 -9.364 2.835 -0.028 135 1HB TRP 16 HB2 TRP 16 -7.539 2.175 -2.054 136 2HB TRP 16 HB1 TRP 16 -9.101 2.269 -2.859 137 HD1 TRP 16 HD1 TRP 16 -9.706 4.603 -3.683 138 HE1 TRP 16 HE1 TRP 16 -9.033 7.013 -3.078 139 HE3 TRP 16 HE3 TRP 16 -6.648 3.615 0.291 140 HZ2 TRP 16 HZ2 TRP 16 -7.416 8.321 -1.168 141 HZ3 TRP 16 HZ3 TRP 16 -5.574 5.501 1.452 142 HH2 TRP 16 HH2 TRP 16 -5.952 7.805 0.736 143 H TYR 17 HN TYR 17 -9.694 -0.326 -1.461 144 HA TYR 17 HA TYR 17 -12.333 0.063 -2.481 145 1HB TYR 17 HB2 TYR 17 -11.591 -1.743 -3.601 146 2HB TYR 17 HB1 TYR 17 -10.335 -2.056 -2.411 147 HD1 TYR 17 HD1 TYR 17 -10.681 -3.657 -0.633 148 HD2 TYR 17 HD2 TYR 17 -13.781 -2.819 -3.425 149 HE1 TYR 17 HE1 TYR 17 -11.894 -5.658 0.121 150 HE2 TYR 17 HE2 TYR 17 -15.003 -4.816 -2.675 151 HH TYR 17 HH TYR 17 -13.674 -7.259 -0.994 152 H ILE 18 HN ILE 18 -10.963 -0.747 0.575 153 HA ILE 18 HA ILE 18 -13.316 -1.945 1.702 154 HB ILE 18 HB ILE 18 -10.893 -0.794 3.097 155 1HG1 ILE 18 HG12 ILE 18 -11.465 -3.706 2.562 156 2HG1 ILE 18 HG11 ILE 18 -10.557 -2.715 1.426 157 1HG2 ILE 18 HG21 ILE 18 -11.784 -1.392 5.054 158 2HG2 ILE 18 HG22 ILE 18 -12.336 -2.944 4.424 159 3HG2 ILE 18 HG23 ILE 18 -13.320 -1.499 4.194 160 1HD1 ILE 18 HD11 ILE 18 -9.747 -3.873 3.982 161 2HD1 ILE 18 HD12 ILE 18 -9.256 -2.195 3.750 162 3HD1 ILE 18 HD13 ILE 18 -8.782 -3.424 2.576 163 H LYS 19 HN LYS 19 -11.871 1.265 1.644 164 HA LYS 19 HA LYS 19 -13.991 2.319 3.354 165 1HB LYS 19 HB2 LYS 19 -11.643 3.782 2.140 166 2HB LYS 19 HB1 LYS 19 -12.707 4.368 3.411 167 1HG LYS 19 HG2 LYS 19 -11.633 1.898 4.274 168 2HG LYS 19 HG1 LYS 19 -10.304 2.875 3.645 169 1HD LYS 19 HD2 LYS 19 -11.947 4.591 5.173 170 2HD LYS 19 HD1 LYS 19 -11.702 3.125 6.125 171 1HE LYS 19 HE2 LYS 19 -9.359 4.370 4.769 172 2HE LYS 19 HE1 LYS 19 -9.994 5.128 6.230 173 1HZ LYS 19 HZ1 LYS 19 -8.173 3.424 6.549 174 2HZ LYS 19 HZ2 LYS 19 -9.305 2.245 6.112 175 3HZ LYS 19 HZ3 LYS 19 -9.566 3.197 7.485 176 1HN NH2 20 HN1 LYS 19 -14.168 1.565 0.190 177 2HN NH2 20 HN2 LYS 19 -14.172 3.104 -0.595 Start of MODEL 5 1 1H LYS 1 HT1 LYS 1 16.625 0.458 3.934 2 2H LYS 1 HT2 LYS 1 18.210 0.463 3.344 3 3H LYS 1 HT3 LYS 1 17.401 -1.003 3.579 4 HA LYS 1 HA LYS 1 17.491 0.569 1.280 5 1HB LYS 1 HB2 LYS 1 17.546 -1.894 1.456 6 2HB LYS 1 HB1 LYS 1 15.869 -1.889 1.982 7 1HG LYS 1 HG2 LYS 1 15.098 -1.714 -0.103 8 2HG LYS 1 HG1 LYS 1 16.290 -0.488 -0.539 9 1HD LYS 1 HD2 LYS 1 17.773 -2.018 -1.333 10 2HD LYS 1 HD1 LYS 1 17.285 -3.253 -0.171 11 1HE LYS 1 HE2 LYS 1 15.453 -2.404 -2.386 12 2HE LYS 1 HE1 LYS 1 16.720 -3.599 -2.666 13 1HZ LYS 1 HZ1 LYS 1 14.392 -3.787 -0.852 14 2HZ LYS 1 HZ2 LYS 1 15.733 -4.803 -0.681 15 3HZ LYS 1 HZ3 LYS 1 14.832 -4.828 -2.111 16 H TRP 2 HN TRP 2 15.674 1.119 -0.125 17 HA TRP 2 HA TRP 2 13.681 2.628 1.307 18 1HB TRP 2 HB2 TRP 2 12.985 3.388 -0.944 19 2HB TRP 2 HB1 TRP 2 14.713 3.595 -0.674 20 HD1 TRP 2 HD1 TRP 2 16.370 1.934 -2.026 21 HE1 TRP 2 HE1 TRP 2 16.034 0.635 -4.222 22 HE3 TRP 2 HE3 TRP 2 11.271 2.168 -2.340 23 HZ2 TRP 2 HZ2 TRP 2 13.893 -0.182 -5.868 24 HZ3 TRP 2 HZ3 TRP 2 10.158 1.102 -4.257 25 HH2 TRP 2 HH2 TRP 2 11.443 -0.049 -5.985 26 H ALA 3 HN ALA 3 13.762 -0.472 1.038 27 HA ALA 3 HA ALA 3 11.297 -1.104 -0.293 28 1HB ALA 3 HB1 ALA 3 11.672 -3.366 0.489 29 2HB ALA 3 HB2 ALA 3 12.947 -2.806 1.571 30 3HB ALA 3 HB3 ALA 3 13.163 -2.700 -0.176 31 H SER 4 HN SER 4 11.443 0.774 2.137 32 HA SER 4 HA SER 4 9.492 -0.626 3.834 33 1HB SER 4 HB2 SER 4 11.043 1.883 4.507 34 2HB SER 4 HB1 SER 4 10.065 0.910 5.604 35 HG SER 4 HG SER 4 12.634 0.623 4.994 36 H LEU 5 HN LEU 5 9.026 0.775 1.222 37 HA LEU 5 HA LEU 5 6.972 2.648 2.193 38 1HB LEU 5 HB2 LEU 5 7.274 3.964 0.139 39 2HB LEU 5 HB1 LEU 5 8.713 3.944 1.139 40 HG LEU 5 HG LEU 5 9.348 1.926 -0.491 41 1HD1 LEU 5 HD11 LEU 5 8.045 1.725 -2.271 42 2HD1 LEU 5 HD12 LEU 5 8.422 3.386 -2.726 43 3HD1 LEU 5 HD13 LEU 5 7.028 3.048 -1.700 44 1HD2 LEU 5 HD21 LEU 5 9.782 4.843 -0.571 45 2HD2 LEU 5 HD22 LEU 5 10.221 3.950 -2.027 46 3HD2 LEU 5 HD23 LEU 5 10.946 3.521 -0.477 47 H TRP 6 HN TRP 6 7.803 -0.015 0.176 48 HA TRP 6 HA TRP 6 5.420 0.101 -1.434 49 1HB TRP 6 HB2 TRP 6 6.305 -1.639 -2.639 50 2HB TRP 6 HB1 TRP 6 7.783 -1.000 -1.933 51 HD1 TRP 6 HD1 TRP 6 9.097 -2.539 -0.250 52 HE1 TRP 6 HE1 TRP 6 8.845 -5.002 0.459 53 HE3 TRP 6 HE3 TRP 6 4.468 -3.483 -2.210 54 HZ2 TRP 6 HZ2 TRP 6 6.938 -7.070 0.218 55 HZ3 TRP 6 HZ3 TRP 6 3.500 -5.725 -1.924 56 HH2 TRP 6 HH2 TRP 6 4.712 -7.483 -0.737 57 H ASN 7 HN ASN 7 6.453 -1.544 1.485 58 HA ASN 7 HA ASN 7 4.589 -3.552 1.703 59 1HB ASN 7 HB2 ASN 7 4.761 -2.615 4.295 60 2HB ASN 7 HB1 ASN 7 5.849 -3.776 3.544 61 1HD2 ASN 7 HD21 ASN 7 5.342 -0.285 3.855 62 2HD2 ASN 7 HD22 ASN 7 7.017 0.123 3.964 63 H TRP 8 HN TRP 8 4.100 -0.144 2.002 64 HA TRP 8 HA TRP 8 1.318 -0.617 2.837 65 1HB TRP 8 HB2 TRP 8 1.380 1.230 4.137 66 2HB TRP 8 HB1 TRP 8 3.122 0.996 4.064 67 HD1 TRP 8 HD1 TRP 8 4.535 2.753 2.678 68 HE1 TRP 8 HE1 TRP 8 3.972 5.078 1.720 69 HE3 TRP 8 HE3 TRP 8 -0.548 2.561 3.048 70 HZ2 TRP 8 HZ2 TRP 8 1.664 6.625 1.193 71 HZ3 TRP 8 HZ3 TRP 8 -1.865 4.495 2.300 72 HH2 TRP 8 HH2 TRP 8 -0.782 6.487 1.390 73 H PHE 9 HN PHE 9 3.361 0.597 0.349 74 HA PHE 9 HA PHE 9 1.516 2.265 -0.988 75 1HB PHE 9 HB2 PHE 9 4.153 1.665 -1.332 76 2HB PHE 9 HB1 PHE 9 3.431 0.785 -2.675 77 HD1 PHE 9 HD1 PHE 9 2.884 1.892 -4.638 78 HD2 PHE 9 HD2 PHE 9 3.541 4.144 -1.088 79 HE1 PHE 9 HE1 PHE 9 2.765 3.975 -5.942 80 HE2 PHE 9 HE2 PHE 9 3.423 6.231 -2.385 81 HZ PHE 9 HZ PHE 9 3.035 6.149 -4.815 82 H ASN 10 HN ASN 10 1.878 -1.163 -0.786 83 HA ASN 10 HA ASN 10 0.209 -1.681 -3.102 84 1HB ASN 10 HB2 ASN 10 0.532 -4.030 -2.591 85 2HB ASN 10 HB1 ASN 10 2.085 -3.205 -2.501 86 1HD2 ASN 10 HD21 ASN 10 -0.538 -4.566 -0.620 87 2HD2 ASN 10 HD22 ASN 10 0.375 -4.811 0.826 88 H ILE 11 HN ILE 11 -0.252 -0.812 0.073 89 HA ILE 11 HA ILE 11 -2.652 -2.329 0.581 90 HB ILE 11 HB ILE 11 -1.594 0.065 2.087 91 1HG1 ILE 11 HG12 ILE 11 -1.088 -2.894 2.472 92 2HG1 ILE 11 HG11 ILE 11 0.104 -1.661 2.066 93 1HG2 ILE 11 HG21 ILE 11 -3.083 -1.910 3.593 94 2HG2 ILE 11 HG22 ILE 11 -4.037 -1.233 2.274 95 3HG2 ILE 11 HG23 ILE 11 -3.317 -0.166 3.479 96 1HD1 ILE 11 HD11 ILE 11 -0.247 -0.621 4.256 97 2HD1 ILE 11 HD12 ILE 11 0.280 -2.298 4.394 98 3HD1 ILE 11 HD13 ILE 11 -1.413 -1.881 4.658 99 H THR 12 HN THR 12 -1.813 0.822 -0.672 100 HA THR 12 HA THR 12 -4.345 2.049 -0.385 101 HB THR 12 HB THR 12 -3.303 3.288 -2.583 102 HG1 THR 12 HG1 THR 12 -0.963 2.937 -1.158 103 1HG2 THR 12 HG21 THR 12 -2.841 3.678 0.359 104 2HG2 THR 12 HG22 THR 12 -3.903 4.577 -0.725 105 3HG2 THR 12 HG23 THR 12 -2.155 4.788 -0.829 106 H ASN 13 HN ASN 13 -3.649 -0.644 -2.080 107 HA ASN 13 HA ASN 13 -5.285 -0.024 -4.414 108 1HB ASN 13 HB2 ASN 13 -3.613 -2.404 -3.627 109 2HB ASN 13 HB1 ASN 13 -4.723 -2.463 -4.992 110 1HD2 ASN 13 HD21 ASN 13 -2.342 -0.161 -3.709 111 2HD2 ASN 13 HD22 ASN 13 -1.538 0.105 -5.215 112 H TRP 14 HN TRP 14 -5.283 -2.307 -1.674 113 HA TRP 14 HA TRP 14 -8.016 -3.075 -2.327 114 1HB TRP 14 HB2 TRP 14 -7.642 -4.551 -0.192 115 2HB TRP 14 HB1 TRP 14 -6.910 -5.003 -1.725 116 HD1 TRP 14 HD1 TRP 14 -4.211 -4.225 -1.967 117 HE1 TRP 14 HE1 TRP 14 -2.383 -4.305 -0.168 118 HE3 TRP 14 HE3 TRP 14 -7.177 -4.388 2.191 119 HZ2 TRP 14 HZ2 TRP 14 -2.214 -4.433 2.649 120 HZ3 TRP 14 HZ3 TRP 14 -6.103 -4.491 4.401 121 HH2 TRP 14 HH2 TRP 14 -3.672 -4.512 4.624 122 H LEU 15 HN LEU 15 -6.231 -1.373 0.199 123 HA LEU 15 HA LEU 15 -8.348 -1.093 2.019 124 1HB LEU 15 HB2 LEU 15 -6.936 0.203 3.217 125 2HB LEU 15 HB1 LEU 15 -5.750 -0.427 2.095 126 HG LEU 15 HG LEU 15 -6.378 1.719 0.710 127 1HD1 LEU 15 HD11 LEU 15 -6.632 3.089 3.279 128 2HD1 LEU 15 HD12 LEU 15 -8.042 2.123 2.839 129 3HD1 LEU 15 HD13 LEU 15 -7.459 3.382 1.749 130 1HD2 LEU 15 HD21 LEU 15 -4.685 1.955 3.188 131 2HD2 LEU 15 HD22 LEU 15 -4.498 2.829 1.667 132 3HD2 LEU 15 HD23 LEU 15 -4.181 1.095 1.733 133 H TRP 16 HN TRP 16 -7.468 0.672 -0.868 134 HA TRP 16 HA TRP 16 -9.259 2.847 -0.538 135 1HB TRP 16 HB2 TRP 16 -7.319 2.051 -2.421 136 2HB TRP 16 HB1 TRP 16 -8.831 2.164 -3.315 137 HD1 TRP 16 HD1 TRP 16 -9.281 4.480 -4.274 138 HE1 TRP 16 HE1 TRP 16 -8.572 6.890 -3.708 139 HE3 TRP 16 HE3 TRP 16 -6.549 3.552 -0.055 140 HZ2 TRP 16 HZ2 TRP 16 -7.052 8.220 -1.734 141 HZ3 TRP 16 HZ3 TRP 16 -5.498 5.446 1.111 142 HH2 TRP 16 HH2 TRP 16 -5.745 7.731 0.287 143 H TYR 17 HN TYR 17 -9.577 -0.422 -1.556 144 HA TYR 17 HA TYR 17 -12.155 -0.065 -2.816 145 1HB TYR 17 HB2 TYR 17 -11.293 -1.868 -3.871 146 2HB TYR 17 HB1 TYR 17 -10.154 -2.193 -2.571 147 HD1 TYR 17 HD1 TYR 17 -13.607 -2.793 -3.750 148 HD2 TYR 17 HD2 TYR 17 -10.594 -3.872 -0.946 149 HE1 TYR 17 HE1 TYR 17 -14.932 -4.757 -3.091 150 HE2 TYR 17 HE2 TYR 17 -11.911 -5.840 -0.280 151 HH TYR 17 HH TYR 17 -15.176 -6.318 -1.359 152 H ILE 18 HN ILE 18 -10.881 -0.738 0.307 153 HA ILE 18 HA ILE 18 -13.225 -1.982 1.392 154 HB ILE 18 HB ILE 18 -10.897 -0.677 2.814 155 1HG1 ILE 18 HG12 ILE 18 -11.384 -3.627 2.417 156 2HG1 ILE 18 HG11 ILE 18 -10.456 -2.674 1.264 157 1HG2 ILE 18 HG21 ILE 18 -12.038 -0.979 4.693 158 2HG2 ILE 18 HG22 ILE 18 -12.082 -2.711 4.368 159 3HG2 ILE 18 HG23 ILE 18 -13.387 -1.673 3.796 160 1HD1 ILE 18 HD11 ILE 18 -9.616 -2.382 4.055 161 2HD1 ILE 18 HD12 ILE 18 -8.657 -2.602 2.591 162 3HD1 ILE 18 HD13 ILE 18 -9.405 -3.994 3.373 163 H LYS 19 HN LYS 19 -11.802 1.271 1.574 164 HA LYS 19 HA LYS 19 -14.118 2.278 3.006 165 1HB LYS 19 HB2 LYS 19 -11.596 3.634 2.040 166 2HB LYS 19 HB1 LYS 19 -12.871 4.446 2.939 167 1HG LYS 19 HG2 LYS 19 -12.459 3.150 4.875 168 2HG LYS 19 HG1 LYS 19 -11.413 2.038 3.990 169 1HD LYS 19 HD2 LYS 19 -9.857 3.944 3.576 170 2HD LYS 19 HD1 LYS 19 -10.866 4.932 4.635 171 1HE LYS 19 HE2 LYS 19 -9.333 2.442 5.369 172 2HE LYS 19 HE1 LYS 19 -9.005 4.093 5.901 173 1HZ LYS 19 HZ1 LYS 19 -10.167 2.761 7.593 174 2HZ LYS 19 HZ2 LYS 19 -11.478 2.566 6.541 175 3HZ LYS 19 HZ3 LYS 19 -11.077 4.106 7.113 176 1HN NH2 20 HN1 LYS 19 -12.955 2.560 -0.484 177 2HN NH2 20 HN2 LYS 19 -13.494 4.201 -0.490 Start of MODEL 6 1 1H LYS 1 HT1 LYS 1 -17.235 -1.707 3.818 2 2H LYS 1 HT2 LYS 1 -17.993 -2.622 2.614 3 3H LYS 1 HT3 LYS 1 -18.616 -1.109 3.043 4 HA LYS 1 HA LYS 1 -17.407 -1.035 0.937 5 1HB LYS 1 HB2 LYS 1 -17.135 0.624 3.236 6 2HB LYS 1 HB1 LYS 1 -15.584 0.602 2.408 7 1HG LYS 1 HG2 LYS 1 -18.118 1.102 0.898 8 2HG LYS 1 HG1 LYS 1 -17.309 2.402 1.777 9 1HD LYS 1 HD2 LYS 1 -15.299 1.089 0.329 10 2HD LYS 1 HD1 LYS 1 -16.663 1.247 -0.778 11 1HE LYS 1 HE2 LYS 1 -15.231 3.430 0.720 12 2HE LYS 1 HE1 LYS 1 -15.326 3.198 -1.026 13 1HZ LYS 1 HZ1 LYS 1 -16.970 4.689 -0.871 14 2HZ LYS 1 HZ2 LYS 1 -17.224 4.422 0.779 15 3HZ LYS 1 HZ3 LYS 1 -17.914 3.380 -0.362 16 H TRP 2 HN TRP 2 -15.263 -0.918 -0.064 17 HA TRP 2 HA TRP 2 -13.379 -2.811 1.179 18 1HB TRP 2 HB2 TRP 2 -12.715 -3.468 -1.107 19 2HB TRP 2 HB1 TRP 2 -14.418 -3.786 -0.795 20 HD1 TRP 2 HD1 TRP 2 -16.211 -2.270 -2.107 21 HE1 TRP 2 HE1 TRP 2 -16.011 -0.878 -4.263 22 HE3 TRP 2 HE3 TRP 2 -11.118 -2.015 -2.442 23 HZ2 TRP 2 HZ2 TRP 2 -13.963 0.187 -5.890 24 HZ3 TRP 2 HZ3 TRP 2 -10.117 -0.794 -4.326 25 HH2 TRP 2 HH2 TRP 2 -11.511 0.285 -6.015 26 H ALA 3 HN ALA 3 -13.694 0.303 0.925 27 HA ALA 3 HA ALA 3 -11.292 1.103 -0.423 28 1HB ALA 3 HB1 ALA 3 -13.559 2.401 0.778 29 2HB ALA 3 HB2 ALA 3 -12.419 3.015 -0.419 30 3HB ALA 3 HB3 ALA 3 -12.058 3.165 1.300 31 H SER 4 HN SER 4 -11.260 -0.825 1.954 32 HA SER 4 HA SER 4 -9.344 0.652 3.629 33 1HB SER 4 HB2 SER 4 -9.889 -0.764 5.445 34 2HB SER 4 HB1 SER 4 -11.437 -0.372 4.697 35 HG SER 4 HG SER 4 -11.549 -2.378 3.845 36 H LEU 5 HN LEU 5 -8.926 -0.754 1.009 37 HA LEU 5 HA LEU 5 -6.774 -2.542 1.922 38 1HB LEU 5 HB2 LEU 5 -7.128 -3.952 -0.031 39 2HB LEU 5 HB1 LEU 5 -8.568 -3.884 0.965 40 HG LEU 5 HG LEU 5 -9.196 -1.943 -0.764 41 1HD1 LEU 5 HD11 LEU 5 -8.028 -1.893 -2.652 42 2HD1 LEU 5 HD12 LEU 5 -8.177 -3.639 -2.854 43 3HD1 LEU 5 HD13 LEU 5 -6.858 -2.972 -1.892 44 1HD2 LEU 5 HD21 LEU 5 -9.529 -4.916 -1.070 45 2HD2 LEU 5 HD22 LEU 5 -10.349 -3.749 -2.107 46 3HD2 LEU 5 HD23 LEU 5 -10.658 -3.756 -0.371 47 H TRP 6 HN TRP 6 -7.556 0.270 0.320 48 HA TRP 6 HA TRP 6 -5.334 0.113 -1.562 49 1HB TRP 6 HB2 TRP 6 -6.198 2.025 -2.616 50 2HB TRP 6 HB1 TRP 6 -7.625 1.117 -2.137 51 HD1 TRP 6 HD1 TRP 6 -9.312 2.284 -0.523 52 HE1 TRP 6 HE1 TRP 6 -9.454 4.631 0.522 53 HE3 TRP 6 HE3 TRP 6 -4.620 3.967 -1.661 54 HZ2 TRP 6 HZ2 TRP 6 -7.798 6.898 0.824 55 HZ3 TRP 6 HZ3 TRP 6 -3.977 6.234 -0.958 56 HH2 TRP 6 HH2 TRP 6 -5.535 7.670 0.257 57 H ASN 7 HN ASN 7 -6.266 1.776 1.392 58 HA ASN 7 HA ASN 7 -4.334 3.752 1.511 59 1HB ASN 7 HB2 ASN 7 -5.085 2.191 3.963 60 2HB ASN 7 HB1 ASN 7 -4.784 3.919 3.804 61 1HD2 ASN 7 HD21 ASN 7 -7.064 1.346 3.313 62 2HD2 ASN 7 HD22 ASN 7 -8.452 2.348 3.084 63 H TRP 8 HN TRP 8 -4.002 0.346 1.865 64 HA TRP 8 HA TRP 8 -1.214 0.662 2.746 65 1HB TRP 8 HB2 TRP 8 -1.403 -1.247 3.956 66 2HB TRP 8 HB1 TRP 8 -3.122 -0.883 3.880 67 HD1 TRP 8 HD1 TRP 8 -4.637 -2.435 2.335 68 HE1 TRP 8 HE1 TRP 8 -4.228 -4.756 1.289 69 HE3 TRP 8 HE3 TRP 8 0.417 -2.688 2.914 70 HZ2 TRP 8 HZ2 TRP 8 -2.032 -6.467 0.777 71 HZ3 TRP 8 HZ3 TRP 8 1.604 -4.684 2.125 72 HH2 TRP 8 HH2 TRP 8 0.407 -6.540 1.077 73 H PHE 9 HN PHE 9 -3.246 -0.342 0.160 74 HA PHE 9 HA PHE 9 -1.487 -2.072 -1.201 75 1HB PHE 9 HB2 PHE 9 -4.027 -1.421 -1.616 76 2HB PHE 9 HB1 PHE 9 -3.307 -0.273 -2.739 77 HD1 PHE 9 HD1 PHE 9 -3.543 -3.868 -1.902 78 HD2 PHE 9 HD2 PHE 9 -2.534 -0.961 -4.842 79 HE1 PHE 9 HE1 PHE 9 -3.365 -5.647 -3.593 80 HE2 PHE 9 HE2 PHE 9 -2.354 -2.734 -6.539 81 HZ PHE 9 HZ PHE 9 -2.771 -5.081 -5.916 82 H ASN 10 HN ASN 10 -1.700 1.391 -0.951 83 HA ASN 10 HA ASN 10 0.149 1.858 -3.124 84 1HB ASN 10 HB2 ASN 10 -0.035 4.233 -2.479 85 2HB ASN 10 HB1 ASN 10 -1.616 3.496 -2.714 86 1HD2 ASN 10 HD21 ASN 10 0.762 4.209 -0.186 87 2HD2 ASN 10 HD22 ASN 10 -0.398 4.555 1.047 88 H ILE 11 HN ILE 11 0.305 1.144 0.176 89 HA ILE 11 HA ILE 11 2.760 2.466 0.786 90 HB ILE 11 HB ILE 11 1.545 0.092 2.202 91 1HG1 ILE 11 HG12 ILE 11 1.135 3.062 2.628 92 2HG1 ILE 11 HG11 ILE 11 -0.079 1.904 2.090 93 1HG2 ILE 11 HG21 ILE 11 3.003 0.466 3.932 94 2HG2 ILE 11 HG22 ILE 11 3.219 2.169 3.528 95 3HG2 ILE 11 HG23 ILE 11 4.014 0.926 2.562 96 1HD1 ILE 11 HD11 ILE 11 -0.678 1.871 4.237 97 2HD1 ILE 11 HD12 ILE 11 0.864 2.533 4.782 98 3HD1 ILE 11 HD13 ILE 11 0.714 0.807 4.448 99 H THR 12 HN THR 12 1.874 -0.671 -0.491 100 HA THR 12 HA THR 12 4.424 -1.896 -0.168 101 HB THR 12 HB THR 12 3.358 -3.250 -2.266 102 HG1 THR 12 HG1 THR 12 1.308 -2.794 -2.491 103 1HG2 THR 12 HG21 THR 12 2.461 -4.809 -0.622 104 2HG2 THR 12 HG22 THR 12 2.518 -3.558 0.620 105 3HG2 THR 12 HG23 THR 12 4.015 -4.176 -0.078 106 H ASN 13 HN ASN 13 3.716 0.741 -1.883 107 HA ASN 13 HA ASN 13 5.225 0.066 -4.286 108 1HB ASN 13 HB2 ASN 13 3.594 2.452 -3.449 109 2HB ASN 13 HB1 ASN 13 4.680 2.533 -4.832 110 1HD2 ASN 13 HD21 ASN 13 1.764 1.168 -3.550 111 2HD2 ASN 13 HD22 ASN 13 1.152 0.551 -5.043 112 H TRP 14 HN TRP 14 5.375 2.310 -1.537 113 HA TRP 14 HA TRP 14 8.094 3.056 -2.298 114 1HB TRP 14 HB2 TRP 14 7.775 4.548 -0.148 115 2HB TRP 14 HB1 TRP 14 7.057 5.014 -1.684 116 HD1 TRP 14 HD1 TRP 14 4.347 4.328 -1.935 117 HE1 TRP 14 HE1 TRP 14 2.512 4.437 -0.142 118 HE3 TRP 14 HE3 TRP 14 7.293 4.362 2.242 119 HZ2 TRP 14 HZ2 TRP 14 2.334 4.536 2.673 120 HZ3 TRP 14 HZ3 TRP 14 6.210 4.471 4.448 121 HH2 TRP 14 HH2 TRP 14 3.780 4.556 4.657 122 H LEU 15 HN LEU 15 6.323 1.501 0.334 123 HA LEU 15 HA LEU 15 8.473 1.163 2.094 124 1HB LEU 15 HB2 LEU 15 7.010 0.021 3.366 125 2HB LEU 15 HB1 LEU 15 5.832 0.587 2.201 126 HG LEU 15 HG LEU 15 6.449 -1.659 0.970 127 1HD1 LEU 15 HD11 LEU 15 8.216 -2.092 2.777 128 2HD1 LEU 15 HD12 LEU 15 7.144 -3.420 2.329 129 3HD1 LEU 15 HD13 LEU 15 6.851 -2.514 3.813 130 1HD2 LEU 15 HD21 LEU 15 4.525 -2.647 1.923 131 2HD2 LEU 15 HD22 LEU 15 4.252 -0.904 1.958 132 3HD2 LEU 15 HD23 LEU 15 4.725 -1.753 3.430 133 H TRP 16 HN TRP 16 7.403 -0.714 -0.680 134 HA TRP 16 HA TRP 16 9.118 -2.931 -0.320 135 1HB TRP 16 HB2 TRP 16 7.200 -2.085 -2.225 136 2HB TRP 16 HB1 TRP 16 8.692 -2.377 -3.112 137 HD1 TRP 16 HD1 TRP 16 8.769 -4.749 -4.034 138 HE1 TRP 16 HE1 TRP 16 7.936 -7.063 -3.276 139 HE3 TRP 16 HE3 TRP 16 6.575 -3.415 0.385 140 HZ2 TRP 16 HZ2 TRP 16 6.535 -8.177 -1.093 141 HZ3 TRP 16 HZ3 TRP 16 5.511 -5.165 1.750 142 HH2 TRP 16 HH2 TRP 16 5.491 -7.496 1.025 143 H TYR 17 HN TYR 17 9.525 0.255 -1.625 144 HA TYR 17 HA TYR 17 12.054 -0.256 -2.888 145 1HB TYR 17 HB2 TYR 17 11.232 1.572 -3.941 146 2HB TYR 17 HB1 TYR 17 10.195 2.000 -2.585 147 HD1 TYR 17 HD1 TYR 17 13.525 2.428 -4.081 148 HD2 TYR 17 HD2 TYR 17 10.925 3.583 -0.915 149 HE1 TYR 17 HE1 TYR 17 15.020 4.307 -3.547 150 HE2 TYR 17 HE2 TYR 17 12.414 5.465 -0.374 151 HH TYR 17 HH TYR 17 15.322 6.123 -2.300 152 H ILE 18 HN ILE 18 10.915 0.785 0.231 153 HA ILE 18 HA ILE 18 13.381 1.826 1.198 154 HB ILE 18 HB ILE 18 11.030 0.749 2.767 155 1HG1 ILE 18 HG12 ILE 18 11.649 3.644 2.205 156 2HG1 ILE 18 HG11 ILE 18 10.656 2.689 1.110 157 1HG2 ILE 18 HG21 ILE 18 13.424 1.141 3.815 158 2HG2 ILE 18 HG22 ILE 18 11.953 1.591 4.679 159 3HG2 ILE 18 HG23 ILE 18 12.884 2.820 3.822 160 1HD1 ILE 18 HD11 ILE 18 9.566 2.239 3.625 161 2HD1 ILE 18 HD12 ILE 18 8.916 3.270 2.350 162 3HD1 ILE 18 HD13 ILE 18 9.957 3.958 3.597 163 H LYS 19 HN LYS 19 11.728 -1.297 1.614 164 HA LYS 19 HA LYS 19 13.863 -2.427 3.151 165 1HB LYS 19 HB2 LYS 19 11.599 -3.845 1.736 166 2HB LYS 19 HB1 LYS 19 12.606 -4.501 3.020 167 1HG LYS 19 HG2 LYS 19 11.723 -2.607 4.468 168 2HG LYS 19 HG1 LYS 19 10.518 -2.356 3.203 169 1HD LYS 19 HD2 LYS 19 9.640 -4.554 3.499 170 2HD LYS 19 HD1 LYS 19 10.976 -5.007 4.559 171 1HE LYS 19 HE2 LYS 19 9.851 -2.726 5.715 172 2HE LYS 19 HE1 LYS 19 8.480 -3.709 5.196 173 1HZ LYS 19 HZ1 LYS 19 10.725 -4.630 6.919 174 2HZ LYS 19 HZ2 LYS 19 9.431 -5.590 6.406 175 3HZ LYS 19 HZ3 LYS 19 9.153 -4.282 7.443 176 1HN NH2 20 HN1 LYS 19 14.142 -2.439 -0.678 177 2HN NH2 20 HN2 LYS 19 13.022 -3.721 -0.383 Start of MODEL 7 1 1H LYS 1 HT1 LYS 1 17.606 -1.109 3.892 2 2H LYS 1 HT2 LYS 1 16.972 0.405 4.304 3 3H LYS 1 HT3 LYS 1 18.558 0.281 3.729 4 HA LYS 1 HA LYS 1 17.891 0.520 1.659 5 1HB LYS 1 HB2 LYS 1 16.698 -2.013 2.488 6 2HB LYS 1 HB1 LYS 1 15.807 -1.248 1.179 7 1HG LYS 1 HG2 LYS 1 18.501 -1.032 0.470 8 2HG LYS 1 HG1 LYS 1 18.303 -2.666 1.108 9 1HD LYS 1 HD2 LYS 1 16.894 -3.296 -0.569 10 2HD LYS 1 HD1 LYS 1 16.227 -1.674 -0.765 11 1HE LYS 1 HE2 LYS 1 17.924 -0.998 -2.160 12 2HE LYS 1 HE1 LYS 1 19.075 -2.157 -1.496 13 1HZ LYS 1 HZ1 LYS 1 18.153 -3.888 -2.730 14 2HZ LYS 1 HZ2 LYS 1 18.180 -2.592 -3.818 15 3HZ LYS 1 HZ3 LYS 1 16.730 -3.035 -3.068 16 H TRP 2 HN TRP 2 15.711 0.703 0.230 17 HA TRP 2 HA TRP 2 13.963 2.512 1.757 18 1HB TRP 2 HB2 TRP 2 13.514 3.649 -0.372 19 2HB TRP 2 HB1 TRP 2 15.239 3.624 -0.020 20 HD1 TRP 2 HD1 TRP 2 16.799 2.157 -1.620 21 HE1 TRP 2 HE1 TRP 2 16.415 1.165 -3.965 22 HE3 TRP 2 HE3 TRP 2 11.714 2.612 -1.874 23 HZ2 TRP 2 HZ2 TRP 2 14.242 0.644 -5.690 24 HZ3 TRP 2 HZ3 TRP 2 10.560 1.843 -3.905 25 HH2 TRP 2 HH2 TRP 2 11.798 0.879 -5.773 26 H ALA 3 HN ALA 3 13.955 -0.540 0.789 27 HA ALA 3 HA ALA 3 11.476 -0.724 -0.632 28 1HB ALA 3 HB1 ALA 3 12.955 -2.910 0.822 29 2HB ALA 3 HB2 ALA 3 13.292 -2.397 -0.831 30 3HB ALA 3 HB3 ALA 3 11.728 -3.105 -0.429 31 H SER 4 HN SER 4 11.501 0.662 2.019 32 HA SER 4 HA SER 4 9.600 -1.039 3.479 33 1HB SER 4 HB2 SER 4 11.400 1.213 4.347 34 2HB SER 4 HB1 SER 4 10.013 0.730 5.324 35 HG SER 4 HG SER 4 11.018 -1.490 5.026 36 H LEU 5 HN LEU 5 9.078 0.640 1.063 37 HA LEU 5 HA LEU 5 6.939 2.294 2.226 38 1HB LEU 5 HB2 LEU 5 7.225 3.818 0.258 39 2HB LEU 5 HB1 LEU 5 8.540 3.842 1.418 40 HG LEU 5 HG LEU 5 9.559 2.046 -0.270 41 1HD1 LEU 5 HD11 LEU 5 7.733 3.738 -1.969 42 2HD1 LEU 5 HD12 LEU 5 7.693 1.984 -1.785 43 3HD1 LEU 5 HD13 LEU 5 9.059 2.755 -2.591 44 1HD2 LEU 5 HD21 LEU 5 9.627 5.034 -0.302 45 2HD2 LEU 5 HD22 LEU 5 10.529 4.118 -1.510 46 3HD2 LEU 5 HD23 LEU 5 10.868 3.888 0.206 47 H TRP 6 HN TRP 6 7.541 -0.411 0.503 48 HA TRP 6 HA TRP 6 5.366 -0.029 -1.410 49 1HB TRP 6 HB2 TRP 6 6.211 -1.791 -2.633 50 2HB TRP 6 HB1 TRP 6 7.685 -1.180 -1.891 51 HD1 TRP 6 HD1 TRP 6 8.976 -2.783 -0.263 52 HE1 TRP 6 HE1 TRP 6 8.676 -5.250 0.411 53 HE3 TRP 6 HE3 TRP 6 4.315 -3.596 -2.199 54 HZ2 TRP 6 HZ2 TRP 6 6.721 -7.272 0.157 55 HZ3 TRP 6 HZ3 TRP 6 3.299 -5.821 -1.939 56 HH2 TRP 6 HH2 TRP 6 4.479 -7.621 -0.786 57 H ASN 7 HN ASN 7 6.155 -1.807 1.502 58 HA ASN 7 HA ASN 7 4.165 -3.731 1.506 59 1HB ASN 7 HB2 ASN 7 4.898 -2.275 4.026 60 2HB ASN 7 HB1 ASN 7 4.550 -3.986 3.801 61 1HD2 ASN 7 HD21 ASN 7 6.927 -1.501 3.632 62 2HD2 ASN 7 HD22 ASN 7 8.287 -2.525 3.338 63 H TRP 8 HN TRP 8 3.923 -0.322 2.022 64 HA TRP 8 HA TRP 8 1.112 -0.604 2.819 65 1HB TRP 8 HB2 TRP 8 1.314 1.269 4.070 66 2HB TRP 8 HB1 TRP 8 3.035 0.917 3.979 67 HD1 TRP 8 HD1 TRP 8 4.540 2.534 2.518 68 HE1 TRP 8 HE1 TRP 8 4.114 4.861 1.495 69 HE3 TRP 8 HE3 TRP 8 -0.536 2.691 2.977 70 HZ2 TRP 8 HZ2 TRP 8 1.904 6.540 0.957 71 HZ3 TRP 8 HZ3 TRP 8 -1.737 4.683 2.187 72 HH2 TRP 8 HH2 TRP 8 -0.542 6.571 1.197 73 H PHE 9 HN PHE 9 3.211 0.513 0.312 74 HA PHE 9 HA PHE 9 1.471 2.235 -1.062 75 1HB PHE 9 HB2 PHE 9 4.051 1.407 -1.409 76 2HB PHE 9 HB1 PHE 9 3.242 0.588 -2.739 77 HD1 PHE 9 HD1 PHE 9 2.217 1.847 -4.537 78 HD2 PHE 9 HD2 PHE 9 4.227 3.806 -1.339 79 HE1 PHE 9 HE1 PHE 9 2.277 3.924 -5.853 80 HE2 PHE 9 HE2 PHE 9 4.290 5.888 -2.649 81 HZ PHE 9 HZ PHE 9 3.314 5.949 -4.909 82 H ASN 10 HN ASN 10 1.687 -1.232 -0.903 83 HA ASN 10 HA ASN 10 -0.078 -1.640 -3.155 84 1HB ASN 10 HB2 ASN 10 0.801 -3.701 -3.147 85 2HB ASN 10 HB1 ASN 10 1.799 -3.221 -1.778 86 1HD2 ASN 10 HD21 ASN 10 0.729 -3.410 0.377 87 2HD2 ASN 10 HD22 ASN 10 -0.282 -4.784 0.643 88 H ILE 11 HN ILE 11 -0.348 -1.006 0.147 89 HA ILE 11 HA ILE 11 -2.815 -2.348 0.659 90 HB ILE 11 HB ILE 11 -1.652 0.008 2.147 91 1HG1 ILE 11 HG12 ILE 11 -1.228 -2.966 2.519 92 2HG1 ILE 11 HG11 ILE 11 -0.009 -1.775 2.074 93 1HG2 ILE 11 HG21 ILE 11 -3.390 -2.107 3.342 94 2HG2 ILE 11 HG22 ILE 11 -4.118 -0.780 2.437 95 3HG2 ILE 11 HG23 ILE 11 -3.132 -0.441 3.859 96 1HD1 ILE 11 HD11 ILE 11 0.486 -1.580 4.220 97 2HD1 ILE 11 HD12 ILE 11 -0.871 -2.613 4.672 98 3HD1 ILE 11 HD13 ILE 11 -1.110 -0.876 4.485 99 H THR 12 HN THR 12 -1.903 0.775 -0.605 100 HA THR 12 HA THR 12 -4.425 2.047 -0.303 101 HB THR 12 HB THR 12 -3.321 3.299 -2.472 102 HG1 THR 12 HG1 THR 12 -0.983 3.232 -1.289 103 1HG2 THR 12 HG21 THR 12 -2.407 3.839 0.346 104 2HG2 THR 12 HG22 THR 12 -4.041 4.204 -0.209 105 3HG2 THR 12 HG23 THR 12 -2.656 4.995 -0.963 106 H ASN 13 HN ASN 13 -3.734 -0.631 -2.001 107 HA ASN 13 HA ASN 13 -5.301 0.025 -4.372 108 1HB ASN 13 HB2 ASN 13 -3.893 -2.543 -3.612 109 2HB ASN 13 HB1 ASN 13 -4.669 -2.216 -5.159 110 1HD2 ASN 13 HD21 ASN 13 -1.843 -2.794 -4.329 111 2HD2 ASN 13 HD22 ASN 13 -0.914 -1.534 -5.060 112 H TRP 14 HN TRP 14 -5.376 -2.319 -1.681 113 HA TRP 14 HA TRP 14 -8.099 -3.054 -2.395 114 1HB TRP 14 HB2 TRP 14 -7.778 -4.509 -0.222 115 2HB TRP 14 HB1 TRP 14 -7.053 -4.993 -1.749 116 HD1 TRP 14 HD1 TRP 14 -4.343 -4.219 -1.997 117 HE1 TRP 14 HE1 TRP 14 -2.516 -4.334 -0.198 118 HE3 TRP 14 HE3 TRP 14 -7.312 -4.401 2.158 119 HZ2 TRP 14 HZ2 TRP 14 -2.350 -4.488 2.618 120 HZ3 TRP 14 HZ3 TRP 14 -6.240 -4.535 4.368 121 HH2 TRP 14 HH2 TRP 14 -3.809 -4.577 4.592 122 H LEU 15 HN LEU 15 -6.373 -1.341 0.154 123 HA LEU 15 HA LEU 15 -8.542 -1.050 1.918 124 1HB LEU 15 HB2 LEU 15 -7.139 0.196 3.169 125 2HB LEU 15 HB1 LEU 15 -5.930 -0.415 2.060 126 HG LEU 15 HG LEU 15 -6.510 1.753 0.703 127 1HD1 LEU 15 HD11 LEU 15 -6.934 2.945 3.381 128 2HD1 LEU 15 HD12 LEU 15 -8.317 2.165 2.610 129 3HD1 LEU 15 HD13 LEU 15 -7.482 3.490 1.796 130 1HD2 LEU 15 HD21 LEU 15 -4.700 2.899 1.829 131 2HD2 LEU 15 HD22 LEU 15 -4.334 1.178 1.701 132 3HD2 LEU 15 HD23 LEU 15 -4.881 1.851 3.237 133 H TRP 16 HN TRP 16 -7.522 0.763 -0.912 134 HA TRP 16 HA TRP 16 -9.276 2.959 -0.631 135 1HB TRP 16 HB2 TRP 16 -7.364 2.078 -2.514 136 2HB TRP 16 HB1 TRP 16 -8.873 2.252 -3.402 137 HD1 TRP 16 HD1 TRP 16 -9.121 4.567 -4.435 138 HE1 TRP 16 HE1 TRP 16 -8.346 6.951 -3.855 139 HE3 TRP 16 HE3 TRP 16 -6.673 3.584 -0.055 140 HZ2 TRP 16 HZ2 TRP 16 -6.891 8.245 -1.812 141 HZ3 TRP 16 HZ3 TRP 16 -5.616 5.451 1.150 142 HH2 TRP 16 HH2 TRP 16 -5.723 7.733 0.287 143 H TYR 17 HN TYR 17 -9.674 -0.305 -1.628 144 HA TYR 17 HA TYR 17 -12.229 0.086 -2.913 145 1HB TYR 17 HB2 TYR 17 -11.312 -1.756 -3.887 146 2HB TYR 17 HB1 TYR 17 -10.335 -2.142 -2.475 147 HD1 TYR 17 HD1 TYR 17 -13.639 -2.553 -4.049 148 HD2 TYR 17 HD2 TYR 17 -11.113 -3.695 -0.821 149 HE1 TYR 17 HE1 TYR 17 -15.175 -4.396 -3.509 150 HE2 TYR 17 HE2 TYR 17 -12.642 -5.542 -0.272 151 HH TYR 17 HH TYR 17 -15.758 -5.780 -1.511 152 H ILE 18 HN ILE 18 -10.988 -0.744 0.228 153 HA ILE 18 HA ILE 18 -13.466 -1.725 1.288 154 HB ILE 18 HB ILE 18 -11.022 -0.755 2.779 155 1HG1 ILE 18 HG12 ILE 18 -11.697 -3.638 2.292 156 2HG1 ILE 18 HG11 ILE 18 -10.842 -2.720 1.057 157 1HG2 ILE 18 HG21 ILE 18 -13.485 -2.252 3.603 158 2HG2 ILE 18 HG22 ILE 18 -12.748 -0.831 4.343 159 3HG2 ILE 18 HG23 ILE 18 -11.976 -2.409 4.503 160 1HD1 ILE 18 HD11 ILE 18 -9.640 -4.106 3.024 161 2HD1 ILE 18 HD12 ILE 18 -9.736 -2.510 3.770 162 3HD1 ILE 18 HD13 ILE 18 -8.923 -2.711 2.218 163 H LYS 19 HN LYS 19 -11.541 1.076 2.364 164 HA LYS 19 HA LYS 19 -13.800 2.368 3.516 165 1HB LYS 19 HB2 LYS 19 -11.101 3.551 2.838 166 2HB LYS 19 HB1 LYS 19 -12.280 4.216 3.961 167 1HG LYS 19 HG2 LYS 19 -11.882 2.564 5.550 168 2HG LYS 19 HG1 LYS 19 -11.134 1.481 4.374 169 1HD LYS 19 HD2 LYS 19 -9.184 2.237 5.171 170 2HD LYS 19 HD1 LYS 19 -9.528 3.704 4.253 171 1HE LYS 19 HE2 LYS 19 -10.492 3.301 7.072 172 2HE LYS 19 HE1 LYS 19 -8.909 3.989 6.707 173 1HZ LYS 19 HZ1 LYS 19 -10.578 5.716 7.051 174 2HZ LYS 19 HZ2 LYS 19 -11.519 5.090 5.792 175 3HZ LYS 19 HZ3 LYS 19 -9.999 5.754 5.460 176 1HN NH2 20 HN1 LYS 19 -13.245 2.082 0.186 177 2HN NH2 20 HN2 LYS 19 -12.955 3.737 -0.213 Start of MODEL 8 1 1H LYS 1 HT1 LYS 1 -16.128 0.767 -4.596 2 2H LYS 1 HT2 LYS 1 -17.568 1.641 -4.451 3 3H LYS 1 HT3 LYS 1 -17.577 -0.039 -4.260 4 HA LYS 1 HA LYS 1 -17.538 1.654 -2.225 5 1HB LYS 1 HB2 LYS 1 -16.641 -1.140 -2.672 6 2HB LYS 1 HB1 LYS 1 -16.214 -0.419 -1.127 7 1HG LYS 1 HG2 LYS 1 -18.943 0.162 -1.649 8 2HG LYS 1 HG1 LYS 1 -18.675 -1.561 -1.925 9 1HD LYS 1 HD2 LYS 1 -17.593 -0.233 0.531 10 2HD LYS 1 HD1 LYS 1 -19.283 -0.733 0.458 11 1HE LYS 1 HE2 LYS 1 -17.234 -2.709 -0.372 12 2HE LYS 1 HE1 LYS 1 -17.350 -2.336 1.347 13 1HZ LYS 1 HZ1 LYS 1 -19.763 -3.012 -0.209 14 2HZ LYS 1 HZ2 LYS 1 -19.503 -3.138 1.458 15 3HZ LYS 1 HZ3 LYS 1 -18.765 -4.234 0.403 16 H TRP 2 HN TRP 2 -15.633 1.327 -0.397 17 HA TRP 2 HA TRP 2 -13.360 2.783 -1.543 18 1HB TRP 2 HB2 TRP 2 -12.949 3.646 0.669 19 2HB TRP 2 HB1 TRP 2 -14.656 3.856 0.298 20 HD1 TRP 2 HD1 TRP 2 -16.398 2.250 1.621 21 HE1 TRP 2 HE1 TRP 2 -16.192 1.064 3.896 22 HE3 TRP 2 HE3 TRP 2 -11.323 2.498 2.217 23 HZ2 TRP 2 HZ2 TRP 2 -14.150 0.334 5.701 24 HZ3 TRP 2 HZ3 TRP 2 -10.325 1.532 4.247 25 HH2 TRP 2 HH2 TRP 2 -11.712 0.472 5.953 26 H ALA 3 HN ALA 3 -14.045 -0.293 -1.003 27 HA ALA 3 HA ALA 3 -11.776 -1.136 0.546 28 1HB ALA 3 HB1 ALA 3 -13.958 -2.513 -0.947 29 2HB ALA 3 HB2 ALA 3 -13.489 -2.650 0.748 30 3HB ALA 3 HB3 ALA 3 -12.514 -3.423 -0.502 31 H SER 4 HN SER 4 -11.349 0.485 -1.937 32 HA SER 4 HA SER 4 -9.534 -1.387 -3.302 33 1HB SER 4 HB2 SER 4 -10.906 0.988 -4.576 34 2HB SER 4 HB1 SER 4 -9.908 -0.219 -5.386 35 HG SER 4 HG SER 4 -12.294 -0.859 -4.000 36 H LEU 5 HN LEU 5 -9.176 0.535 -1.011 37 HA LEU 5 HA LEU 5 -6.984 2.099 -2.205 38 1HB LEU 5 HB2 LEU 5 -7.320 3.792 -0.474 39 2HB LEU 5 HB1 LEU 5 -8.745 3.595 -1.476 40 HG LEU 5 HG LEU 5 -9.411 1.935 0.526 41 1HD1 LEU 5 HD11 LEU 5 -8.102 4.112 2.080 42 2HD1 LEU 5 HD12 LEU 5 -7.144 2.713 1.594 43 3HD1 LEU 5 HD13 LEU 5 -8.584 2.494 2.589 44 1HD2 LEU 5 HD21 LEU 5 -9.820 4.852 0.095 45 2HD2 LEU 5 HD22 LEU 5 -10.434 4.117 1.576 46 3HD2 LEU 5 HD23 LEU 5 -10.977 3.524 0.006 47 H TRP 6 HN TRP 6 -7.521 -0.560 -0.476 48 HA TRP 6 HA TRP 6 -5.414 -0.065 1.499 49 1HB TRP 6 HB2 TRP 6 -6.299 -1.732 2.803 50 2HB TRP 6 HB1 TRP 6 -7.754 -1.230 1.954 51 HD1 TRP 6 HD1 TRP 6 -8.933 -3.002 0.427 52 HE1 TRP 6 HE1 TRP 6 -8.522 -5.498 -0.051 53 HE3 TRP 6 HE3 TRP 6 -4.309 -3.488 2.556 54 HZ2 TRP 6 HZ2 TRP 6 -6.505 -7.419 0.414 55 HZ3 TRP 6 HZ3 TRP 6 -3.208 -5.686 2.495 56 HH2 TRP 6 HH2 TRP 6 -4.285 -7.611 1.448 57 H ASN 7 HN ASN 7 -6.166 -1.970 -1.340 58 HA ASN 7 HA ASN 7 -4.137 -3.863 -1.240 59 1HB ASN 7 HB2 ASN 7 -4.750 -2.654 -3.887 60 2HB ASN 7 HB1 ASN 7 -4.658 -4.348 -3.419 61 1HD2 ASN 7 HD21 ASN 7 -6.684 -2.163 -4.560 62 2HD2 ASN 7 HD22 ASN 7 -8.176 -2.711 -3.883 63 H TRP 8 HN TRP 8 -3.950 -0.480 -1.739 64 HA TRP 8 HA TRP 8 -1.162 -0.716 -2.640 65 1HB TRP 8 HB2 TRP 8 -1.438 1.123 -3.925 66 2HB TRP 8 HB1 TRP 8 -3.150 0.750 -3.775 67 HD1 TRP 8 HD1 TRP 8 -4.630 2.365 -2.282 68 HE1 TRP 8 HE1 TRP 8 -4.209 4.715 -1.313 69 HE3 TRP 8 HE3 TRP 8 0.424 2.603 -2.930 70 HZ2 TRP 8 HZ2 TRP 8 -2.010 6.440 -0.880 71 HZ3 TRP 8 HZ3 TRP 8 1.616 4.628 -2.215 72 HH2 TRP 8 HH2 TRP 8 0.425 6.510 -1.210 73 H PHE 9 HN PHE 9 -3.242 0.435 -0.114 74 HA PHE 9 HA PHE 9 -1.443 2.188 1.171 75 1HB PHE 9 HB2 PHE 9 -4.062 1.407 1.571 76 2HB PHE 9 HB1 PHE 9 -3.234 0.742 2.974 77 HD1 PHE 9 HD1 PHE 9 -4.076 3.829 1.167 78 HD2 PHE 9 HD2 PHE 9 -2.357 2.153 4.681 79 HE1 PHE 9 HE1 PHE 9 -4.117 6.044 2.238 80 HE2 PHE 9 HE2 PHE 9 -2.396 4.364 5.759 81 HZ PHE 9 HZ PHE 9 -3.277 6.313 4.538 82 H ASN 10 HN ASN 10 -1.679 -1.255 1.059 83 HA ASN 10 HA ASN 10 0.061 -1.619 3.360 84 1HB ASN 10 HB2 ASN 10 -0.702 -3.745 3.415 85 2HB ASN 10 HB1 ASN 10 -1.928 -3.176 2.289 86 1HD2 ASN 10 HD21 ASN 10 -1.043 -3.139 -0.067 87 2HD2 ASN 10 HD22 ASN 10 -0.262 -4.596 -0.567 88 H ILE 11 HN ILE 11 0.373 -0.931 0.123 89 HA ILE 11 HA ILE 11 2.766 -2.442 -0.410 90 HB ILE 11 HB ILE 11 1.624 -0.108 -1.951 91 1HG1 ILE 11 HG12 ILE 11 1.194 -3.089 -2.235 92 2HG1 ILE 11 HG11 ILE 11 -0.023 -1.875 -1.846 93 1HG2 ILE 11 HG21 ILE 11 3.435 -0.257 -3.225 94 2HG2 ILE 11 HG22 ILE 11 3.046 -1.941 -3.581 95 3HG2 ILE 11 HG23 ILE 11 4.065 -1.545 -2.197 96 1HD1 ILE 11 HD11 ILE 11 0.836 -0.927 -4.206 97 2HD1 ILE 11 HD12 ILE 11 -0.494 -2.072 -4.032 98 3HD1 ILE 11 HD13 ILE 11 1.120 -2.651 -4.443 99 H THR 12 HN THR 12 1.957 0.724 0.805 100 HA THR 12 HA THR 12 4.461 1.973 0.400 101 HB THR 12 HB THR 12 3.554 3.248 2.605 102 HG1 THR 12 HG1 THR 12 1.314 3.164 2.639 103 1HG2 THR 12 HG21 THR 12 3.917 4.017 0.166 104 2HG2 THR 12 HG22 THR 12 2.763 4.902 1.165 105 3HG2 THR 12 HG23 THR 12 2.187 3.729 -0.021 106 H ASN 13 HN ASN 13 3.751 -0.676 2.215 107 HA ASN 13 HA ASN 13 5.486 -0.078 4.463 108 1HB ASN 13 HB2 ASN 13 3.886 -2.516 3.679 109 2HB ASN 13 HB1 ASN 13 4.967 -2.494 5.070 110 1HD2 ASN 13 HD21 ASN 13 1.875 -1.849 3.949 111 2HD2 ASN 13 HD22 ASN 13 1.274 -0.996 5.325 112 H TRP 14 HN TRP 14 5.460 -2.318 1.689 113 HA TRP 14 HA TRP 14 8.239 -3.011 2.250 114 1HB TRP 14 HB2 TRP 14 7.839 -4.548 0.182 115 2HB TRP 14 HB1 TRP 14 7.137 -4.976 1.737 116 HD1 TRP 14 HD1 TRP 14 4.436 -4.236 2.003 117 HE1 TRP 14 HE1 TRP 14 2.578 -4.403 0.241 118 HE3 TRP 14 HE3 TRP 14 7.328 -4.459 -2.201 119 HZ2 TRP 14 HZ2 TRP 14 2.360 -4.606 -2.571 120 HZ3 TRP 14 HZ3 TRP 14 6.220 -4.640 -4.389 121 HH2 TRP 14 HH2 TRP 14 3.786 -4.711 -4.569 122 H LEU 15 HN LEU 15 6.281 -1.528 -0.309 123 HA LEU 15 HA LEU 15 8.281 -1.178 -2.210 124 1HB LEU 15 HB2 LEU 15 6.754 0.037 -3.341 125 2HB LEU 15 HB1 LEU 15 5.660 -0.539 -2.102 126 HG LEU 15 HG LEU 15 6.388 1.658 -0.862 127 1HD1 LEU 15 HD11 LEU 15 6.556 2.743 -3.623 128 2HD1 LEU 15 HD12 LEU 15 8.008 2.037 -2.910 129 3HD1 LEU 15 HD13 LEU 15 7.198 3.387 -2.111 130 1HD2 LEU 15 HD21 LEU 15 4.496 2.820 -1.915 131 2HD2 LEU 15 HD22 LEU 15 4.117 1.141 -1.530 132 3HD2 LEU 15 HD23 LEU 15 4.479 1.605 -3.193 133 H TRP 16 HN TRP 16 7.524 0.638 0.684 134 HA TRP 16 HA TRP 16 9.222 2.850 0.222 135 1HB TRP 16 HB2 TRP 16 7.466 1.994 2.249 136 2HB TRP 16 HB1 TRP 16 9.036 2.162 3.025 137 HD1 TRP 16 HD1 TRP 16 9.400 4.477 4.005 138 HE1 TRP 16 HE1 TRP 16 8.600 6.866 3.479 139 HE3 TRP 16 HE3 TRP 16 6.572 3.490 -0.137 140 HZ2 TRP 16 HZ2 TRP 16 6.981 8.160 1.562 141 HZ3 TRP 16 HZ3 TRP 16 5.427 5.359 -1.256 142 HH2 TRP 16 HH2 TRP 16 5.629 7.645 -0.422 143 H TYR 17 HN TYR 17 9.680 -0.332 1.606 144 HA TYR 17 HA TYR 17 12.310 0.071 2.588 145 1HB TYR 17 HB2 TYR 17 11.581 -1.839 3.560 146 2HB TYR 17 HB1 TYR 17 10.430 -2.161 2.269 147 HD1 TYR 17 HD1 TYR 17 13.986 -2.537 3.255 148 HD2 TYR 17 HD2 TYR 17 10.895 -3.771 0.604 149 HE1 TYR 17 HE1 TYR 17 15.420 -4.361 2.442 150 HE2 TYR 17 HE2 TYR 17 12.320 -5.599 -0.216 151 HH TYR 17 HH TYR 17 14.502 -6.343 -0.290 152 H ILE 18 HN ILE 18 10.948 -0.777 -0.500 153 HA ILE 18 HA ILE 18 13.408 -1.640 -1.692 154 HB ILE 18 HB ILE 18 10.838 -0.775 -3.030 155 1HG1 ILE 18 HG12 ILE 18 11.691 -3.625 -2.673 156 2HG1 ILE 18 HG11 ILE 18 10.902 -2.789 -1.339 157 1HG2 ILE 18 HG21 ILE 18 12.953 -2.579 -4.169 158 2HG2 ILE 18 HG22 ILE 18 12.992 -0.830 -4.393 159 3HG2 ILE 18 HG23 ILE 18 11.629 -1.767 -5.004 160 1HD1 ILE 18 HD11 ILE 18 8.898 -2.667 -2.425 161 2HD1 ILE 18 HD12 ILE 18 9.525 -4.183 -3.070 162 3HD1 ILE 18 HD13 ILE 18 9.636 -2.705 -4.026 163 H LYS 19 HN LYS 19 11.624 1.370 -1.456 164 HA LYS 19 HA LYS 19 13.055 2.801 -3.434 165 1HB LYS 19 HB2 LYS 19 11.407 3.653 -1.062 166 2HB LYS 19 HB1 LYS 19 12.203 4.825 -2.104 167 1HG LYS 19 HG2 LYS 19 10.619 2.824 -3.536 168 2HG LYS 19 HG1 LYS 19 9.686 3.869 -2.462 169 1HD LYS 19 HD2 LYS 19 10.854 5.826 -3.544 170 2HD LYS 19 HD1 LYS 19 11.482 4.687 -4.737 171 1HE LYS 19 HE2 LYS 19 9.615 5.186 -5.877 172 2HE LYS 19 HE1 LYS 19 8.839 4.067 -4.755 173 1HZ LYS 19 HZ1 LYS 19 7.548 6.018 -4.716 174 2HZ LYS 19 HZ2 LYS 19 8.901 7.029 -4.620 175 3HZ LYS 19 HZ3 LYS 19 8.463 6.077 -3.293 176 1HN NH2 20 HN1 LYS 19 13.519 3.040 0.215 177 2HN NH2 20 HN2 LYS 19 14.698 4.271 -0.066 Start of MODEL 9 1 1H LYS 1 HT1 LYS 1 -15.919 -1.049 5.635 2 2H LYS 1 HT2 LYS 1 -15.763 -2.655 5.127 3 3H LYS 1 HT3 LYS 1 -17.299 -1.969 5.303 4 HA LYS 1 HA LYS 1 -17.214 -1.595 3.128 5 1HB LYS 1 HB2 LYS 1 -16.337 0.581 4.557 6 2HB LYS 1 HB1 LYS 1 -15.089 0.426 3.327 7 1HG LYS 1 HG2 LYS 1 -17.563 0.134 2.014 8 2HG LYS 1 HG1 LYS 1 -17.714 1.515 3.103 9 1HD LYS 1 HD2 LYS 1 -15.994 2.681 2.066 10 2HD LYS 1 HD1 LYS 1 -15.302 1.222 1.355 11 1HE LYS 1 HE2 LYS 1 -16.314 1.954 -0.518 12 2HE LYS 1 HE1 LYS 1 -17.746 1.222 0.204 13 1HZ LYS 1 HZ1 LYS 1 -18.315 3.388 1.143 14 2HZ LYS 1 HZ2 LYS 1 -18.213 3.458 -0.544 15 3HZ LYS 1 HZ3 LYS 1 -16.958 4.080 0.405 16 H TRP 2 HN TRP 2 -15.474 -0.832 1.249 17 HA TRP 2 HA TRP 2 -13.409 -2.931 1.310 18 1HB TRP 2 HB2 TRP 2 -13.654 -3.179 -1.065 19 2HB TRP 2 HB1 TRP 2 -15.263 -3.242 -0.354 20 HD1 TRP 2 HD1 TRP 2 -16.894 -1.148 -0.823 21 HE1 TRP 2 HE1 TRP 2 -16.880 0.636 -2.678 22 HE3 TRP 2 HE3 TRP 2 -12.126 -1.799 -2.542 23 HZ2 TRP 2 HZ2 TRP 2 -15.082 1.634 -4.614 24 HZ3 TRP 2 HZ3 TRP 2 -11.335 -0.390 -4.397 25 HH2 TRP 2 HH2 TRP 2 -12.785 1.291 -5.411 26 H ALA 3 HN ALA 3 -13.788 0.316 1.550 27 HA ALA 3 HA ALA 3 -11.642 1.196 -0.150 28 1HB ALA 3 HB1 ALA 3 -13.177 2.582 2.042 29 2HB ALA 3 HB2 ALA 3 -13.405 2.746 0.301 30 3HB ALA 3 HB3 ALA 3 -11.936 3.361 1.060 31 H SER 4 HN SER 4 -11.159 -0.890 1.973 32 HA SER 4 HA SER 4 -8.997 0.501 3.409 33 1HB SER 4 HB2 SER 4 -9.293 -0.907 5.264 34 2HB SER 4 HB1 SER 4 -10.942 -0.557 4.748 35 HG SER 4 HG SER 4 -9.825 -2.916 5.028 36 H LEU 5 HN LEU 5 -8.978 -0.745 0.713 37 HA LEU 5 HA LEU 5 -6.881 -2.751 1.215 38 1HB LEU 5 HB2 LEU 5 -7.491 -3.879 -0.824 39 2HB LEU 5 HB1 LEU 5 -8.900 -3.740 0.210 40 HG LEU 5 HG LEU 5 -9.278 -1.552 -1.290 41 1HD1 LEU 5 HD11 LEU 5 -8.568 -1.773 -3.504 42 2HD1 LEU 5 HD12 LEU 5 -8.101 -3.459 -3.282 43 3HD1 LEU 5 HD13 LEU 5 -7.139 -2.174 -2.552 44 1HD2 LEU 5 HD21 LEU 5 -10.055 -4.406 -1.745 45 2HD2 LEU 5 HD22 LEU 5 -10.619 -3.134 -2.827 46 3HD2 LEU 5 HD23 LEU 5 -11.021 -3.074 -1.110 47 H TRP 6 HN TRP 6 -7.544 0.302 0.050 48 HA TRP 6 HA TRP 6 -5.368 0.255 -1.905 49 1HB TRP 6 HB2 TRP 6 -6.368 1.996 -2.959 50 2HB TRP 6 HB1 TRP 6 -7.789 1.450 -2.079 51 HD1 TRP 6 HD1 TRP 6 -8.797 3.072 -0.281 52 HE1 TRP 6 HE1 TRP 6 -8.263 5.486 0.435 53 HE3 TRP 6 HE3 TRP 6 -4.314 3.657 -2.668 54 HZ2 TRP 6 HZ2 TRP 6 -6.212 7.387 0.040 55 HZ3 TRP 6 HZ3 TRP 6 -3.130 5.802 -2.447 56 HH2 TRP 6 HH2 TRP 6 -4.062 7.629 -1.122 57 H ASN 7 HN ASN 7 -6.259 1.638 1.196 58 HA ASN 7 HA ASN 7 -4.296 3.576 1.475 59 1HB ASN 7 HB2 ASN 7 -4.479 2.619 4.021 60 2HB ASN 7 HB1 ASN 7 -5.620 3.745 3.295 61 1HD2 ASN 7 HD21 ASN 7 -5.046 0.242 3.146 62 2HD2 ASN 7 HD22 ASN 7 -6.684 -0.208 3.459 63 H TRP 8 HN TRP 8 -3.947 0.181 1.352 64 HA TRP 8 HA TRP 8 -1.182 0.383 2.349 65 1HB TRP 8 HB2 TRP 8 -1.368 -1.658 3.324 66 2HB TRP 8 HB1 TRP 8 -3.088 -1.289 3.289 67 HD1 TRP 8 HD1 TRP 8 -4.599 -2.656 1.574 68 HE1 TRP 8 HE1 TRP 8 -4.187 -4.829 0.251 69 HE3 TRP 8 HE3 TRP 8 0.461 -2.965 2.111 70 HZ2 TRP 8 HZ2 TRP 8 -1.987 -6.458 -0.469 71 HZ3 TRP 8 HZ3 TRP 8 1.649 -4.845 1.080 72 HH2 TRP 8 HH2 TRP 8 0.453 -6.562 -0.185 73 H PHE 9 HN PHE 9 -3.211 -0.418 -0.334 74 HA PHE 9 HA PHE 9 -1.358 -1.919 -1.850 75 1HB PHE 9 HB2 PHE 9 -4.000 -1.081 -2.156 76 2HB PHE 9 HB1 PHE 9 -3.140 -0.295 -3.475 77 HD1 PHE 9 HD1 PHE 9 -3.430 -3.635 -1.839 78 HD2 PHE 9 HD2 PHE 9 -2.883 -1.444 -5.447 79 HE1 PHE 9 HE1 PHE 9 -3.490 -5.735 -3.120 80 HE2 PHE 9 HE2 PHE 9 -2.943 -3.541 -6.734 81 HZ PHE 9 HZ PHE 9 -3.247 -5.690 -5.570 82 H ASN 10 HN ASN 10 -1.689 1.444 -1.181 83 HA ASN 10 HA ASN 10 0.057 2.238 -3.371 84 1HB ASN 10 HB2 ASN 10 -0.385 4.498 -2.714 85 2HB ASN 10 HB1 ASN 10 -1.917 3.633 -2.640 86 1HD2 ASN 10 HD21 ASN 10 0.457 5.372 -0.898 87 2HD2 ASN 10 HD22 ASN 10 -0.321 5.333 0.644 88 H ILE 11 HN ILE 11 0.367 1.012 -0.306 89 HA ILE 11 HA ILE 11 2.730 2.492 0.472 90 HB ILE 11 HB ILE 11 1.581 -0.001 1.729 91 1HG1 ILE 11 HG12 ILE 11 1.059 2.923 2.300 92 2HG1 ILE 11 HG11 ILE 11 -0.112 1.719 1.767 93 1HG2 ILE 11 HG21 ILE 11 4.028 1.125 2.131 94 2HG2 ILE 11 HG22 ILE 11 3.154 0.159 3.319 95 3HG2 ILE 11 HG23 ILE 11 3.060 1.919 3.374 96 1HD1 ILE 11 HD11 ILE 11 -0.408 2.188 4.109 97 2HD1 ILE 11 HD12 ILE 11 1.282 1.805 4.434 98 3HD1 ILE 11 HD13 ILE 11 0.177 0.537 3.904 99 H THR 12 HN THR 12 1.928 -0.513 -1.101 100 HA THR 12 HA THR 12 4.399 -1.840 -0.779 101 HB THR 12 HB THR 12 3.483 -2.751 -3.202 102 HG1 THR 12 HG1 THR 12 1.652 -1.351 -3.057 103 1HG2 THR 12 HG21 THR 12 3.673 -3.653 -0.555 104 2HG2 THR 12 HG22 THR 12 3.384 -4.626 -1.998 105 3HG2 THR 12 HG23 THR 12 2.022 -4.010 -1.063 106 H ASN 13 HN ASN 13 3.857 1.038 -2.251 107 HA ASN 13 HA ASN 13 5.668 0.639 -4.495 108 1HB ASN 13 HB2 ASN 13 3.695 2.669 -3.699 109 2HB ASN 13 HB1 ASN 13 5.156 3.329 -4.428 110 1HD2 ASN 13 HD21 ASN 13 2.319 1.411 -4.920 111 2HD2 ASN 13 HD22 ASN 13 2.435 1.308 -6.640 112 H TRP 14 HN TRP 14 5.530 2.490 -1.463 113 HA TRP 14 HA TRP 14 8.333 3.245 -1.828 114 1HB TRP 14 HB2 TRP 14 7.821 4.555 0.377 115 2HB TRP 14 HB1 TRP 14 7.232 5.162 -1.164 116 HD1 TRP 14 HD1 TRP 14 4.545 4.432 -1.692 117 HE1 TRP 14 HE1 TRP 14 2.573 4.462 -0.047 118 HE3 TRP 14 HE3 TRP 14 7.157 4.313 2.695 119 HZ2 TRP 14 HZ2 TRP 14 2.174 4.451 2.750 120 HZ3 TRP 14 HZ3 TRP 14 5.906 4.333 4.814 121 HH2 TRP 14 HH2 TRP 14 3.466 4.398 4.839 122 H LEU 15 HN LEU 15 6.228 1.481 0.394 123 HA LEU 15 HA LEU 15 8.125 0.910 2.366 124 1HB LEU 15 HB2 LEU 15 6.519 -0.378 3.289 125 2HB LEU 15 HB1 LEU 15 5.499 0.363 2.075 126 HG LEU 15 HG LEU 15 6.243 -1.710 0.636 127 1HD1 LEU 15 HD11 LEU 15 6.839 -3.628 1.778 128 2HD1 LEU 15 HD12 LEU 15 6.275 -3.004 3.329 129 3HD1 LEU 15 HD13 LEU 15 7.768 -2.387 2.620 130 1HD2 LEU 15 HD21 LEU 15 4.190 -1.775 2.840 131 2HD2 LEU 15 HD22 LEU 15 4.273 -2.940 1.518 132 3HD2 LEU 15 HD23 LEU 15 3.953 -1.240 1.176 133 H TRP 16 HN TRP 16 7.450 -0.581 -0.732 134 HA TRP 16 HA TRP 16 9.067 -2.875 -0.450 135 1HB TRP 16 HB2 TRP 16 7.425 -1.779 -2.431 136 2HB TRP 16 HB1 TRP 16 9.028 -1.815 -3.157 137 HD1 TRP 16 HD1 TRP 16 9.529 -3.979 -4.394 138 HE1 TRP 16 HE1 TRP 16 8.730 -6.423 -4.258 139 HE3 TRP 16 HE3 TRP 16 6.394 -3.586 -0.376 140 HZ2 TRP 16 HZ2 TRP 16 6.998 -7.977 -2.660 141 HZ3 TRP 16 HZ3 TRP 16 5.202 -5.597 0.392 142 HH2 TRP 16 HH2 TRP 16 5.499 -7.745 -0.728 143 H TYR 17 HN TYR 17 9.711 0.446 -1.184 144 HA TYR 17 HA TYR 17 12.395 0.044 -2.124 145 1HB TYR 17 HB2 TYR 17 11.691 2.024 -3.000 146 2HB TYR 17 HB1 TYR 17 10.564 2.324 -1.681 147 HD1 TYR 17 HD1 TYR 17 11.138 3.773 0.100 148 HD2 TYR 17 HD2 TYR 17 14.125 2.571 -2.682 149 HE1 TYR 17 HE1 TYR 17 12.674 5.453 1.031 150 HE2 TYR 17 HE2 TYR 17 15.669 4.247 -1.756 151 HH TYR 17 HH TYR 17 14.902 6.057 1.132 152 H ILE 18 HN ILE 18 10.816 0.743 0.916 153 HA ILE 18 HA ILE 18 13.136 1.496 2.370 154 HB ILE 18 HB ILE 18 10.553 0.338 3.427 155 1HG1 ILE 18 HG12 ILE 18 11.283 3.257 3.311 156 2HG1 ILE 18 HG11 ILE 18 10.467 2.465 1.967 157 1HG2 ILE 18 HG21 ILE 18 11.444 0.501 5.452 158 2HG2 ILE 18 HG22 ILE 18 11.796 2.208 5.181 159 3HG2 ILE 18 HG23 ILE 18 12.979 0.981 4.728 160 1HD1 ILE 18 HD11 ILE 18 9.277 3.646 4.157 161 2HD1 ILE 18 HD12 ILE 18 9.164 1.918 4.489 162 3HD1 ILE 18 HD13 ILE 18 8.505 2.573 2.990 163 H LYS 19 HN LYS 19 11.282 -1.549 2.258 164 HA LYS 19 HA LYS 19 13.032 -3.002 3.925 165 1HB LYS 19 HB2 LYS 19 10.790 -3.647 2.095 166 2HB LYS 19 HB1 LYS 19 11.899 -4.961 2.463 167 1HG LYS 19 HG2 LYS 19 11.480 -4.709 4.826 168 2HG LYS 19 HG1 LYS 19 10.456 -3.303 4.522 169 1HD LYS 19 HD2 LYS 19 9.014 -4.828 3.106 170 2HD LYS 19 HD1 LYS 19 9.941 -6.174 3.772 171 1HE LYS 19 HE2 LYS 19 9.304 -5.420 6.047 172 2HE LYS 19 HE1 LYS 19 8.288 -4.177 5.315 173 1HZ LYS 19 HZ1 LYS 19 6.776 -5.721 4.571 174 2HZ LYS 19 HZ2 LYS 19 7.273 -6.463 6.008 175 3HZ LYS 19 HZ3 LYS 19 7.899 -6.986 4.527 176 1HN NH2 20 HN1 LYS 19 13.432 -1.990 0.665 177 2HN NH2 20 HN2 LYS 19 14.843 -2.940 0.362 Start of MODEL 10 1 1H LYS 1 HT1 LYS 1 17.894 -0.317 4.463 2 2H LYS 1 HT2 LYS 1 16.256 -0.735 4.529 3 3H LYS 1 HT3 LYS 1 16.722 0.883 4.685 4 HA LYS 1 HA LYS 1 17.723 0.648 2.380 5 1HB LYS 1 HB2 LYS 1 16.853 -1.979 2.853 6 2HB LYS 1 HB1 LYS 1 15.750 -1.336 1.645 7 1HG LYS 1 HG2 LYS 1 17.826 -0.602 0.372 8 2HG LYS 1 HG1 LYS 1 18.729 -1.640 1.478 9 1HD LYS 1 HD2 LYS 1 18.306 -3.281 0.017 10 2HD LYS 1 HD1 LYS 1 16.666 -3.263 0.667 11 1HE LYS 1 HE2 LYS 1 16.420 -1.299 -1.116 12 2HE LYS 1 HE1 LYS 1 17.712 -2.209 -1.898 13 1HZ LYS 1 HZ1 LYS 1 15.698 -3.976 -1.014 14 2HZ LYS 1 HZ2 LYS 1 16.242 -3.694 -2.590 15 3HZ LYS 1 HZ3 LYS 1 14.994 -2.752 -1.946 16 H TRP 2 HN TRP 2 15.967 0.702 0.414 17 HA TRP 2 HA TRP 2 14.022 2.677 1.309 18 1HB TRP 2 HB2 TRP 2 13.775 3.222 -1.065 19 2HB TRP 2 HB1 TRP 2 15.473 3.227 -0.600 20 HD1 TRP 2 HD1 TRP 2 17.041 1.339 -1.646 21 HE1 TRP 2 HE1 TRP 2 16.744 -0.233 -3.662 22 HE3 TRP 2 HE3 TRP 2 12.008 1.880 -2.363 23 HZ2 TRP 2 HZ2 TRP 2 14.651 -1.124 -5.334 24 HZ3 TRP 2 HZ3 TRP 2 10.936 0.634 -4.193 25 HH2 TRP 2 HH2 TRP 2 12.232 -0.837 -5.648 26 H ALA 3 HN ALA 3 13.999 -0.550 1.084 27 HA ALA 3 HA ALA 3 11.589 -1.040 -0.371 28 1HB ALA 3 HB1 ALA 3 11.966 -3.177 1.374 29 2HB ALA 3 HB2 ALA 3 13.590 -2.601 0.996 30 3HB ALA 3 HB3 ALA 3 12.494 -3.066 -0.305 31 H SER 4 HN SER 4 11.577 0.928 1.935 32 HA SER 4 HA SER 4 9.467 -0.321 3.558 33 1HB SER 4 HB2 SER 4 10.847 2.246 4.292 34 2HB SER 4 HB1 SER 4 10.051 1.076 5.345 35 HG SER 4 HG SER 4 11.768 -0.308 5.083 36 H LEU 5 HN LEU 5 9.047 0.751 0.897 37 HA LEU 5 HA LEU 5 7.084 2.823 1.588 38 1HB LEU 5 HB2 LEU 5 7.582 4.057 -0.432 39 2HB LEU 5 HB1 LEU 5 9.025 3.908 0.552 40 HG LEU 5 HG LEU 5 9.386 1.788 -1.064 41 1HD1 LEU 5 HD11 LEU 5 7.179 2.921 -2.218 42 2HD1 LEU 5 HD12 LEU 5 8.329 1.859 -3.030 43 3HD1 LEU 5 HD13 LEU 5 8.499 3.610 -3.163 44 1HD2 LEU 5 HD21 LEU 5 11.186 3.163 -1.007 45 2HD2 LEU 5 HD22 LEU 5 10.213 4.626 -1.161 46 3HD2 LEU 5 HD23 LEU 5 10.561 3.644 -2.584 47 H TRP 6 HN TRP 6 7.477 -0.208 0.524 48 HA TRP 6 HA TRP 6 5.326 -0.042 -1.472 49 1HB TRP 6 HB2 TRP 6 6.121 -1.975 -2.469 50 2HB TRP 6 HB1 TRP 6 7.615 -1.238 -1.905 51 HD1 TRP 6 HD1 TRP 6 8.973 -2.508 -0.020 52 HE1 TRP 6 HE1 TRP 6 8.783 -4.869 0.988 53 HE3 TRP 6 HE3 TRP 6 4.366 -3.794 -1.825 54 HZ2 TRP 6 HZ2 TRP 6 6.927 -6.994 1.014 55 HZ3 TRP 6 HZ3 TRP 6 3.455 -6.008 -1.261 56 HH2 TRP 6 HH2 TRP 6 4.711 -7.575 0.128 57 H ASN 7 HN ASN 7 6.188 -1.355 1.633 58 HA ASN 7 HA ASN 7 4.255 -3.314 1.964 59 1HB ASN 7 HB2 ASN 7 4.535 -1.866 4.421 60 2HB ASN 7 HB1 ASN 7 5.184 -3.444 3.992 61 1HD2 ASN 7 HD21 ASN 7 5.817 -0.048 4.224 62 2HD2 ASN 7 HD22 ASN 7 7.528 -0.141 4.008 63 H TRP 8 HN TRP 8 3.890 0.093 1.806 64 HA TRP 8 HA TRP 8 1.087 -0.133 2.689 65 1HB TRP 8 HB2 TRP 8 1.233 1.880 3.720 66 2HB TRP 8 HB1 TRP 8 2.955 1.522 3.735 67 HD1 TRP 8 HD1 TRP 8 4.511 2.915 2.068 68 HE1 TRP 8 HE1 TRP 8 4.126 5.127 0.801 69 HE3 TRP 8 HE3 TRP 8 -0.553 3.228 2.528 70 HZ2 TRP 8 HZ2 TRP 8 1.947 6.785 0.094 71 HZ3 TRP 8 HZ3 TRP 8 -1.719 5.143 1.535 72 HH2 TRP 8 HH2 TRP 8 -0.496 6.891 0.340 73 H PHE 9 HN PHE 9 3.227 0.732 0.118 74 HA PHE 9 HA PHE 9 1.496 2.282 -1.462 75 1HB PHE 9 HB2 PHE 9 4.082 1.578 -1.672 76 2HB PHE 9 HB1 PHE 9 3.389 0.454 -2.833 77 HD1 PHE 9 HD1 PHE 9 3.908 3.999 -2.024 78 HD2 PHE 9 HD2 PHE 9 2.525 1.208 -4.925 79 HE1 PHE 9 HE1 PHE 9 3.875 5.782 -3.718 80 HE2 PHE 9 HE2 PHE 9 2.490 2.987 -6.624 81 HZ PHE 9 HZ PHE 9 3.165 5.278 -6.022 82 H ASN 10 HN ASN 10 1.582 -1.090 -0.782 83 HA ASN 10 HA ASN 10 -0.100 -1.746 -3.070 84 1HB ASN 10 HB2 ASN 10 0.764 -3.807 -2.892 85 2HB ASN 10 HB1 ASN 10 1.828 -3.174 -1.642 86 1HD2 ASN 10 HD21 ASN 10 0.752 -3.063 0.577 87 2HD2 ASN 10 HD22 ASN 10 -0.157 -4.455 1.045 88 H ILE 11 HN ILE 11 -0.351 -0.938 0.215 89 HA ILE 11 HA ILE 11 -2.791 -2.267 0.823 90 HB ILE 11 HB ILE 11 -1.714 0.232 2.128 91 1HG1 ILE 11 HG12 ILE 11 -1.132 -2.683 2.702 92 2HG1 ILE 11 HG11 ILE 11 0.019 -1.468 2.153 93 1HG2 ILE 11 HG21 ILE 11 -4.023 -1.443 2.577 94 2HG2 ILE 11 HG22 ILE 11 -3.599 0.108 3.303 95 3HG2 ILE 11 HG23 ILE 11 -2.983 -1.390 4.001 96 1HD1 ILE 11 HD11 ILE 11 0.541 -1.377 4.333 97 2HD1 ILE 11 HD12 ILE 11 -1.023 -2.014 4.844 98 3HD1 ILE 11 HD13 ILE 11 -0.860 -0.309 4.421 99 H THR 12 HN THR 12 -1.970 0.831 -0.589 100 HA THR 12 HA THR 12 -4.524 2.035 -0.381 101 HB THR 12 HB THR 12 -3.462 3.172 -2.633 102 HG1 THR 12 HG1 THR 12 -1.113 3.214 -1.447 103 1HG2 THR 12 HG21 THR 12 -3.259 4.986 -1.305 104 2HG2 THR 12 HG22 THR 12 -2.263 4.136 -0.123 105 3HG2 THR 12 HG23 THR 12 -4.017 3.952 -0.094 106 H ASN 13 HN ASN 13 -3.701 -0.704 -1.998 107 HA ASN 13 HA ASN 13 -5.333 -0.219 -4.361 108 1HB ASN 13 HB2 ASN 13 -3.658 -2.563 -3.461 109 2HB ASN 13 HB1 ASN 13 -4.698 -2.632 -4.880 110 1HD2 ASN 13 HD21 ASN 13 -2.086 -0.746 -3.427 111 2HD2 ASN 13 HD22 ASN 13 -1.325 -0.323 -4.919 112 H TRP 14 HN TRP 14 -5.336 -2.340 -1.499 113 HA TRP 14 HA TRP 14 -8.041 -3.210 -2.171 114 1HB TRP 14 HB2 TRP 14 -7.650 -4.606 0.019 115 2HB TRP 14 HB1 TRP 14 -6.910 -5.098 -1.498 116 HD1 TRP 14 HD1 TRP 14 -4.227 -4.297 -1.770 117 HE1 TRP 14 HE1 TRP 14 -2.397 -4.274 0.029 118 HE3 TRP 14 HE3 TRP 14 -7.189 -4.332 2.393 119 HZ2 TRP 14 HZ2 TRP 14 -2.226 -4.279 2.850 120 HZ3 TRP 14 HZ3 TRP 14 -6.115 -4.325 4.605 121 HH2 TRP 14 HH2 TRP 14 -3.684 -4.299 4.828 122 H LEU 15 HN LEU 15 -6.301 -1.466 0.367 123 HA LEU 15 HA LEU 15 -8.442 -1.143 2.139 124 1HB LEU 15 HB2 LEU 15 -7.032 0.155 3.328 125 2HB LEU 15 HB1 LEU 15 -5.837 -0.439 2.195 126 HG LEU 15 HG LEU 15 -6.553 1.695 0.825 127 1HD1 LEU 15 HD11 LEU 15 -8.257 2.089 2.821 128 2HD1 LEU 15 HD12 LEU 15 -7.491 3.423 1.957 129 3HD1 LEU 15 HD13 LEU 15 -6.851 2.898 3.514 130 1HD2 LEU 15 HD21 LEU 15 -4.318 1.108 1.819 131 2HD2 LEU 15 HD22 LEU 15 -4.812 1.999 3.258 132 3HD2 LEU 15 HD23 LEU 15 -4.671 2.833 1.710 133 H TRP 16 HN TRP 16 -7.496 0.644 -0.736 134 HA TRP 16 HA TRP 16 -9.310 2.794 -0.471 135 1HB TRP 16 HB2 TRP 16 -7.386 1.923 -2.364 136 2HB TRP 16 HB1 TRP 16 -8.902 2.116 -3.234 137 HD1 TRP 16 HD1 TRP 16 -9.141 4.439 -4.239 138 HE1 TRP 16 HE1 TRP 16 -8.359 6.815 -3.632 139 HE3 TRP 16 HE3 TRP 16 -6.676 3.394 0.113 140 HZ2 TRP 16 HZ2 TRP 16 -6.887 8.079 -1.580 141 HZ3 TRP 16 HZ3 TRP 16 -5.606 5.241 1.337 142 HH2 TRP 16 HH2 TRP 16 -5.710 7.535 0.506 143 H TYR 17 HN TYR 17 -9.593 -0.478 -1.550 144 HA TYR 17 HA TYR 17 -12.163 -0.154 -2.807 145 1HB TYR 17 HB2 TYR 17 -11.273 -1.986 -3.794 146 2HB TYR 17 HB1 TYR 17 -10.182 -2.292 -2.448 147 HD1 TYR 17 HD1 TYR 17 -13.609 -2.865 -3.716 148 HD2 TYR 17 HD2 TYR 17 -10.697 -3.930 -0.802 149 HE1 TYR 17 HE1 TYR 17 -14.987 -4.790 -3.050 150 HE2 TYR 17 HE2 TYR 17 -12.068 -5.859 -0.129 151 HH TYR 17 HH TYR 17 -13.920 -7.020 -0.497 152 H ILE 18 HN ILE 18 -10.919 -0.888 0.339 153 HA ILE 18 HA ILE 18 -13.331 -2.014 1.396 154 HB ILE 18 HB ILE 18 -10.942 -0.864 2.849 155 1HG1 ILE 18 HG12 ILE 18 -11.572 -3.779 2.396 156 2HG1 ILE 18 HG11 ILE 18 -10.603 -2.852 1.255 157 1HG2 ILE 18 HG21 ILE 18 -13.450 -2.140 3.753 158 2HG2 ILE 18 HG22 ILE 18 -12.418 -0.962 4.563 159 3HG2 ILE 18 HG23 ILE 18 -11.967 -2.668 4.549 160 1HD1 ILE 18 HD11 ILE 18 -9.712 -4.210 3.502 161 2HD1 ILE 18 HD12 ILE 18 -9.643 -2.505 3.947 162 3HD1 ILE 18 HD13 ILE 18 -8.795 -3.076 2.510 163 H LYS 19 HN LYS 19 -11.864 1.185 1.311 164 HA LYS 19 HA LYS 19 -14.031 2.292 2.923 165 1HB LYS 19 HB2 LYS 19 -11.320 3.151 2.147 166 2HB LYS 19 HB1 LYS 19 -12.517 4.438 2.208 167 1HG LYS 19 HG2 LYS 19 -13.094 3.453 4.533 168 2HG LYS 19 HG1 LYS 19 -11.507 2.690 4.409 169 1HD LYS 19 HD2 LYS 19 -10.863 5.201 3.700 170 2HD LYS 19 HD1 LYS 19 -12.231 5.534 4.764 171 1HE LYS 19 HE2 LYS 19 -10.549 3.561 5.972 172 2HE LYS 19 HE1 LYS 19 -9.565 4.940 5.478 173 1HZ LYS 19 HZ1 LYS 19 -12.045 5.152 7.106 174 2HZ LYS 19 HZ2 LYS 19 -10.975 6.406 6.729 175 3HZ LYS 19 HZ3 LYS 19 -10.480 5.151 7.750 176 1HN NH2 20 HN1 LYS 19 -13.428 2.199 -0.716 177 2HN NH2 20 HN2 LYS 19 -13.329 3.923 -0.673 Start of MODEL 11 1 1H LYS 1 HT1 LYS 1 16.486 2.900 -3.224 2 2H LYS 1 HT2 LYS 1 16.223 1.422 -4.003 3 3H LYS 1 HT3 LYS 1 17.800 1.922 -3.650 4 HA LYS 1 HA LYS 1 17.693 0.779 -1.781 5 1HB LYS 1 HB2 LYS 1 16.151 3.208 -1.402 6 2HB LYS 1 HB1 LYS 1 15.615 1.938 -0.309 7 1HG LYS 1 HG2 LYS 1 18.030 1.641 0.344 8 2HG LYS 1 HG1 LYS 1 18.366 3.120 -0.559 9 1HD LYS 1 HD2 LYS 1 18.020 4.041 1.492 10 2HD LYS 1 HD1 LYS 1 16.347 4.014 0.928 11 1HE LYS 1 HE2 LYS 1 15.815 2.151 2.224 12 2HE LYS 1 HE1 LYS 1 17.505 1.691 2.427 13 1HZ LYS 1 HZ1 LYS 1 17.664 3.931 3.667 14 2HZ LYS 1 HZ2 LYS 1 16.980 2.603 4.459 15 3HZ LYS 1 HZ3 LYS 1 15.983 3.801 3.804 16 H TRP 2 HN TRP 2 15.954 -0.168 -0.038 17 HA TRP 2 HA TRP 2 14.414 -2.059 -1.595 18 1HB TRP 2 HB2 TRP 2 13.993 -3.128 0.625 19 2HB TRP 2 HB1 TRP 2 15.703 -2.932 0.251 20 HD1 TRP 2 HD1 TRP 2 17.118 -1.308 1.789 21 HE1 TRP 2 HE1 TRP 2 16.633 -0.168 4.045 22 HE3 TRP 2 HE3 TRP 2 12.070 -2.064 2.010 23 HZ2 TRP 2 HZ2 TRP 2 14.400 0.343 5.701 24 HZ3 TRP 2 HZ3 TRP 2 10.832 -1.221 3.960 25 HH2 TRP 2 HH2 TRP 2 11.972 -0.042 5.766 26 H ALA 3 HN ALA 3 13.714 0.932 -0.961 27 HA ALA 3 HA ALA 3 11.210 0.766 0.420 28 1HB ALA 3 HB1 ALA 3 11.851 2.891 0.688 29 2HB ALA 3 HB2 ALA 3 11.138 3.157 -0.903 30 3HB ALA 3 HB3 ALA 3 12.871 2.865 -0.750 31 H SER 4 HN SER 4 11.538 -0.939 -1.986 32 HA SER 4 HA SER 4 9.482 0.196 -3.746 33 1HB SER 4 HB2 SER 4 10.403 -2.249 -4.808 34 2HB SER 4 HB1 SER 4 10.768 -0.623 -5.384 35 HG SER 4 HG SER 4 12.389 -2.387 -4.179 36 H LEU 5 HN LEU 5 8.903 -0.909 -1.111 37 HA LEU 5 HA LEU 5 7.041 -3.015 -1.962 38 1HB LEU 5 HB2 LEU 5 7.390 -4.179 0.179 39 2HB LEU 5 HB1 LEU 5 8.834 -4.147 -0.814 40 HG LEU 5 HG LEU 5 9.284 -1.964 0.707 41 1HD1 LEU 5 HD11 LEU 5 7.153 -2.419 1.956 42 2HD1 LEU 5 HD12 LEU 5 8.601 -2.308 2.957 43 3HD1 LEU 5 HD13 LEU 5 7.913 -3.885 2.575 44 1HD2 LEU 5 HD21 LEU 5 9.984 -4.844 0.998 45 2HD2 LEU 5 HD22 LEU 5 10.488 -3.713 2.254 46 3HD2 LEU 5 HD23 LEU 5 11.009 -3.469 0.587 47 H TRP 6 HN TRP 6 7.579 -0.077 -0.400 48 HA TRP 6 HA TRP 6 5.165 -0.254 1.228 49 1HB TRP 6 HB2 TRP 6 5.951 1.525 2.444 50 2HB TRP 6 HB1 TRP 6 7.482 0.890 1.853 51 HD1 TRP 6 HD1 TRP 6 8.851 2.381 0.152 52 HE1 TRP 6 HE1 TRP 6 8.622 4.828 -0.615 53 HE3 TRP 6 HE3 TRP 6 4.156 3.357 1.929 54 HZ2 TRP 6 HZ2 TRP 6 6.707 6.896 -0.485 55 HZ3 TRP 6 HZ3 TRP 6 3.197 5.593 1.563 56 HH2 TRP 6 HH2 TRP 6 4.449 7.326 0.383 57 H ASN 7 HN ASN 7 6.301 1.121 -1.752 58 HA ASN 7 HA ASN 7 4.512 3.190 -2.163 59 1HB ASN 7 HB2 ASN 7 4.746 1.936 -4.659 60 2HB ASN 7 HB1 ASN 7 5.725 3.262 -4.042 61 1HD2 ASN 7 HD21 ASN 7 5.475 -0.265 -3.727 62 2HD2 ASN 7 HD22 ASN 7 7.175 -0.562 -3.807 63 H TRP 8 HN TRP 8 3.936 -0.195 -2.113 64 HA TRP 8 HA TRP 8 1.176 0.243 -3.046 65 1HB TRP 8 HB2 TRP 8 1.218 -1.708 -4.203 66 2HB TRP 8 HB1 TRP 8 2.957 -1.448 -4.180 67 HD1 TRP 8 HD1 TRP 8 4.419 -3.060 -2.655 68 HE1 TRP 8 HE1 TRP 8 3.900 -5.317 -1.521 69 HE3 TRP 8 HE3 TRP 8 -0.667 -2.999 -3.046 70 HZ2 TRP 8 HZ2 TRP 8 1.619 -6.864 -0.879 71 HZ3 TRP 8 HZ3 TRP 8 -1.946 -4.891 -2.151 72 HH2 TRP 8 HH2 TRP 8 -0.830 -6.788 -1.089 73 H PHE 9 HN PHE 9 3.214 -0.848 -0.492 74 HA PHE 9 HA PHE 9 1.344 -2.389 0.958 75 1HB PHE 9 HB2 PHE 9 3.970 -1.953 1.257 76 2HB PHE 9 HB1 PHE 9 3.372 -0.802 2.447 77 HD1 PHE 9 HD1 PHE 9 3.807 -4.309 1.610 78 HD2 PHE 9 HD2 PHE 9 2.119 -1.575 4.400 79 HE1 PHE 9 HE1 PHE 9 3.549 -6.136 3.238 80 HE2 PHE 9 HE2 PHE 9 1.858 -3.397 6.034 81 HZ PHE 9 HZ PHE 9 2.573 -5.681 5.453 82 H ASN 10 HN ASN 10 1.710 0.989 0.466 83 HA ASN 10 HA ASN 10 0.148 1.724 2.795 84 1HB ASN 10 HB2 ASN 10 1.174 3.697 2.524 85 2HB ASN 10 HB1 ASN 10 1.976 3.062 1.091 86 1HD2 ASN 10 HD21 ASN 10 0.674 3.161 -0.936 87 2HD2 ASN 10 HD22 ASN 10 -0.294 4.570 -1.192 88 H ILE 11 HN ILE 11 -0.356 0.808 -0.415 89 HA ILE 11 HA ILE 11 -2.803 2.204 -0.890 90 HB ILE 11 HB ILE 11 -1.857 -0.307 -2.266 91 1HG1 ILE 11 HG12 ILE 11 -1.194 2.587 -2.855 92 2HG1 ILE 11 HG11 ILE 11 -0.064 1.338 -2.336 93 1HG2 ILE 11 HG21 ILE 11 -3.672 -0.084 -3.522 94 2HG2 ILE 11 HG22 ILE 11 -3.190 1.555 -3.962 95 3HG2 ILE 11 HG23 ILE 11 -4.181 1.282 -2.528 96 1HD1 ILE 11 HD11 ILE 11 -0.544 0.123 -4.450 97 2HD1 ILE 11 HD12 ILE 11 0.216 1.698 -4.675 98 3HD1 ILE 11 HD13 ILE 11 -1.512 1.504 -4.966 99 H THR 12 HN THR 12 -1.928 -0.875 0.524 100 HA THR 12 HA THR 12 -4.497 -2.070 0.433 101 HB THR 12 HB THR 12 -3.404 -3.266 2.590 102 HG1 THR 12 HG1 THR 12 -1.565 -1.654 2.196 103 1HG2 THR 12 HG21 THR 12 -2.644 -4.978 1.119 104 2HG2 THR 12 HG22 THR 12 -2.424 -3.832 -0.204 105 3HG2 THR 12 HG23 THR 12 -4.048 -4.237 0.352 106 H ASN 13 HN ASN 13 -3.658 0.692 1.929 107 HA ASN 13 HA ASN 13 -5.155 0.236 4.393 108 1HB ASN 13 HB2 ASN 13 -3.519 2.563 3.383 109 2HB ASN 13 HB1 ASN 13 -4.483 2.646 4.855 110 1HD2 ASN 13 HD21 ASN 13 -1.478 2.123 3.704 111 2HD2 ASN 13 HD22 ASN 13 -0.823 1.179 4.994 112 H TRP 14 HN TRP 14 -5.261 2.309 1.506 113 HA TRP 14 HA TRP 14 -7.934 3.210 2.258 114 1HB TRP 14 HB2 TRP 14 -7.607 4.562 0.025 115 2HB TRP 14 HB1 TRP 14 -6.825 5.081 1.510 116 HD1 TRP 14 HD1 TRP 14 -4.144 4.181 1.725 117 HE1 TRP 14 HE1 TRP 14 -2.357 4.164 -0.117 118 HE3 TRP 14 HE3 TRP 14 -7.199 4.388 -2.367 119 HZ2 TRP 14 HZ2 TRP 14 -2.251 4.242 -2.938 120 HZ3 TRP 14 HZ3 TRP 14 -6.174 4.419 -4.602 121 HH2 TRP 14 HH2 TRP 14 -3.750 4.348 -4.880 122 H LEU 15 HN LEU 15 -6.285 1.426 -0.311 123 HA LEU 15 HA LEU 15 -8.483 1.067 -2.002 124 1HB LEU 15 HB2 LEU 15 -7.115 -0.252 -3.214 125 2HB LEU 15 HB1 LEU 15 -5.883 0.366 -2.135 126 HG LEU 15 HG LEU 15 -6.532 -1.743 -0.698 127 1HD1 LEU 15 HD11 LEU 15 -8.341 -2.194 -2.555 128 2HD1 LEU 15 HD12 LEU 15 -7.472 -3.521 -1.780 129 3HD1 LEU 15 HD13 LEU 15 -6.976 -2.955 -3.375 130 1HD2 LEU 15 HD21 LEU 15 -4.782 -3.015 -1.910 131 2HD2 LEU 15 HD22 LEU 15 -4.322 -1.350 -1.556 132 3HD2 LEU 15 HD23 LEU 15 -4.832 -1.797 -3.184 133 H TRP 16 HN TRP 16 -7.467 -0.629 0.895 134 HA TRP 16 HA TRP 16 -9.270 -2.800 0.718 135 1HB TRP 16 HB2 TRP 16 -7.302 -1.892 2.538 136 2HB TRP 16 HB1 TRP 16 -8.798 -2.038 3.455 137 HD1 TRP 16 HD1 TRP 16 -9.065 -4.332 4.523 138 HE1 TRP 16 HE1 TRP 16 -8.316 -6.733 3.976 139 HE3 TRP 16 HE3 TRP 16 -6.649 -3.441 0.106 140 HZ2 TRP 16 HZ2 TRP 16 -6.887 -8.072 1.940 141 HZ3 TRP 16 HZ3 TRP 16 -5.618 -5.336 -1.077 142 HH2 TRP 16 HH2 TRP 16 -5.735 -7.603 -0.179 143 H TYR 17 HN TYR 17 -9.541 0.492 1.770 144 HA TYR 17 HA TYR 17 -12.090 0.175 3.062 145 1HB TYR 17 HB2 TYR 17 -11.187 2.028 4.000 146 2HB TYR 17 HB1 TYR 17 -10.134 2.326 2.622 147 HD1 TYR 17 HD1 TYR 17 -10.729 3.904 0.938 148 HD2 TYR 17 HD2 TYR 17 -13.514 2.902 3.994 149 HE1 TYR 17 HE1 TYR 17 -12.140 5.804 0.267 150 HE2 TYR 17 HE2 TYR 17 -14.933 4.798 3.331 151 HH TYR 17 HH TYR 17 -14.942 6.764 2.137 152 H ILE 18 HN ILE 18 -10.896 0.920 -0.111 153 HA ILE 18 HA ILE 18 -13.326 1.997 -1.156 154 HB ILE 18 HB ILE 18 -10.965 0.803 -2.621 155 1HG1 ILE 18 HG12 ILE 18 -11.561 3.733 -2.285 156 2HG1 ILE 18 HG11 ILE 18 -10.647 2.853 -1.065 157 1HG2 ILE 18 HG21 ILE 18 -12.942 0.860 -4.025 158 2HG2 ILE 18 HG22 ILE 18 -11.794 2.093 -4.547 159 3HG2 ILE 18 HG23 ILE 18 -13.216 2.552 -3.610 160 1HD1 ILE 18 HD11 ILE 18 -9.711 2.504 -3.825 161 2HD1 ILE 18 HD12 ILE 18 -8.803 2.760 -2.335 162 3HD1 ILE 18 HD13 ILE 18 -9.546 4.130 -3.161 163 H LYS 19 HN LYS 19 -11.651 -1.064 -1.920 164 HA LYS 19 HA LYS 19 -13.839 -2.243 -3.222 165 1HB LYS 19 HB2 LYS 19 -11.327 -3.324 -1.986 166 2HB LYS 19 HB1 LYS 19 -12.555 -4.426 -2.593 167 1HG LYS 19 HG2 LYS 19 -12.204 -3.835 -4.781 168 2HG LYS 19 HG1 LYS 19 -11.582 -2.237 -4.362 169 1HD LYS 19 HD2 LYS 19 -9.580 -3.408 -3.368 170 2HD LYS 19 HD1 LYS 19 -10.182 -4.892 -4.108 171 1HE LYS 19 HE2 LYS 19 -8.430 -3.558 -5.400 172 2HE LYS 19 HE1 LYS 19 -9.871 -4.075 -6.278 173 1HZ LYS 19 HZ1 LYS 19 -9.217 -1.729 -6.693 174 2HZ LYS 19 HZ2 LYS 19 -9.547 -1.377 -5.071 175 3HZ LYS 19 HZ3 LYS 19 -10.792 -1.891 -6.094 176 1HN NH2 20 HN1 LYS 19 -12.997 -2.127 0.207 177 2HN NH2 20 HN2 LYS 19 -14.448 -2.902 0.734 Start of MODEL 12 1 1H LYS 1 HT1 LYS 1 15.944 1.669 -5.535 2 2H LYS 1 HT2 LYS 1 15.352 0.085 -5.583 3 3H LYS 1 HT3 LYS 1 17.011 0.362 -5.400 4 HA LYS 1 HA LYS 1 16.850 0.504 -3.218 5 1HB LYS 1 HB2 LYS 1 15.293 2.726 -4.135 6 2HB LYS 1 HB1 LYS 1 14.520 2.049 -2.708 7 1HG LYS 1 HG2 LYS 1 17.446 2.710 -2.777 8 2HG LYS 1 HG1 LYS 1 16.217 3.899 -2.343 9 1HD LYS 1 HD2 LYS 1 15.929 3.014 -0.306 10 2HD LYS 1 HD1 LYS 1 15.902 1.366 -0.934 11 1HE LYS 1 HE2 LYS 1 17.858 1.147 0.142 12 2HE LYS 1 HE1 LYS 1 18.529 2.020 -1.234 13 1HZ LYS 1 HZ1 LYS 1 17.532 3.367 1.212 14 2HZ LYS 1 HZ2 LYS 1 18.445 4.046 -0.040 15 3HZ LYS 1 HZ3 LYS 1 19.148 2.911 0.999 16 H TRP 2 HN TRP 2 15.565 -0.216 -1.347 17 HA TRP 2 HA TRP 2 13.766 -2.350 -2.137 18 1HB TRP 2 HB2 TRP 2 13.889 -2.969 0.291 19 2HB TRP 2 HB1 TRP 2 15.450 -2.928 -0.521 20 HD1 TRP 2 HD1 TRP 2 17.220 -1.162 0.317 21 HE1 TRP 2 HE1 TRP 2 17.314 0.404 2.358 22 HE3 TRP 2 HE3 TRP 2 12.352 -1.514 1.834 23 HZ2 TRP 2 HZ2 TRP 2 15.555 1.364 4.348 24 HZ3 TRP 2 HZ3 TRP 2 11.638 -0.241 3.814 25 HH2 TRP 2 HH2 TRP 2 13.205 1.168 5.044 26 H ALA 3 HN ALA 3 13.254 0.776 -1.761 27 HA ALA 3 HA ALA 3 11.140 0.920 0.131 28 1HB ALA 3 HB1 ALA 3 12.505 2.715 -1.648 29 2HB ALA 3 HB2 ALA 3 11.595 3.069 -0.179 30 3HB ALA 3 HB3 ALA 3 10.762 2.973 -1.731 31 H SER 4 HN SER 4 11.180 -0.876 -2.535 32 HA SER 4 HA SER 4 8.604 -0.151 -3.634 33 1HB SER 4 HB2 SER 4 10.405 -0.982 -5.101 34 2HB SER 4 HB1 SER 4 10.369 -2.530 -4.257 35 HG SER 4 HG SER 4 8.842 -3.055 -5.586 36 H LEU 5 HN LEU 5 8.974 -1.135 -0.805 37 HA LEU 5 HA LEU 5 6.993 -3.310 -0.947 38 1HB LEU 5 HB2 LEU 5 7.894 -4.225 1.121 39 2HB LEU 5 HB1 LEU 5 9.123 -4.171 -0.127 40 HG LEU 5 HG LEU 5 9.681 -1.849 1.074 41 1HD1 LEU 5 HD11 LEU 5 7.723 -2.558 2.713 42 2HD1 LEU 5 HD12 LEU 5 9.154 -1.699 3.283 43 3HD1 LEU 5 HD13 LEU 5 9.034 -3.446 3.489 44 1HD2 LEU 5 HD21 LEU 5 10.555 -4.625 1.828 45 2HD2 LEU 5 HD22 LEU 5 11.320 -3.173 2.476 46 3HD2 LEU 5 HD23 LEU 5 11.348 -3.485 0.741 47 H TRP 6 HN TRP 6 7.514 -0.158 -0.147 48 HA TRP 6 HA TRP 6 5.468 -0.202 1.965 49 1HB TRP 6 HB2 TRP 6 6.564 1.429 3.079 50 2HB TRP 6 HB1 TRP 6 7.947 0.925 2.117 51 HD1 TRP 6 HD1 TRP 6 8.935 2.659 0.432 52 HE1 TRP 6 HE1 TRP 6 8.389 5.109 -0.140 53 HE3 TRP 6 HE3 TRP 6 4.474 3.097 2.895 54 HZ2 TRP 6 HZ2 TRP 6 6.339 6.979 0.382 55 HZ3 TRP 6 HZ3 TRP 6 3.283 5.247 2.805 56 HH2 TRP 6 HH2 TRP 6 4.199 7.149 1.577 57 H ASN 7 HN ASN 7 6.376 1.152 -1.137 58 HA ASN 7 HA ASN 7 4.488 3.188 -1.356 59 1HB ASN 7 HB2 ASN 7 4.603 2.340 -3.914 60 2HB ASN 7 HB1 ASN 7 5.856 3.319 -3.160 61 1HD2 ASN 7 HD21 ASN 7 5.074 -0.112 -2.796 62 2HD2 ASN 7 HD22 ASN 7 6.614 -0.697 -3.316 63 H TRP 8 HN TRP 8 4.023 -0.185 -1.258 64 HA TRP 8 HA TRP 8 1.263 0.115 -2.243 65 1HB TRP 8 HB2 TRP 8 1.381 -1.919 -3.241 66 2HB TRP 8 HB1 TRP 8 3.112 -1.601 -3.212 67 HD1 TRP 8 HD1 TRP 8 4.590 -3.022 -1.504 68 HE1 TRP 8 HE1 TRP 8 4.118 -5.201 -0.211 69 HE3 TRP 8 HE3 TRP 8 -0.473 -3.192 -2.059 70 HZ2 TRP 8 HZ2 TRP 8 1.873 -6.781 0.481 71 HZ3 TRP 8 HZ3 TRP 8 -1.714 -5.054 -1.057 72 HH2 TRP 8 HH2 TRP 8 -0.567 -6.819 0.188 73 H PHE 9 HN PHE 9 3.278 -0.766 0.420 74 HA PHE 9 HA PHE 9 1.402 -2.236 1.937 75 1HB PHE 9 HB2 PHE 9 4.058 -1.517 2.229 76 2HB PHE 9 HB1 PHE 9 3.260 -0.625 3.520 77 HD1 PHE 9 HD1 PHE 9 4.338 -3.861 2.337 78 HD2 PHE 9 HD2 PHE 9 1.965 -1.852 5.243 79 HE1 PHE 9 HE1 PHE 9 4.299 -5.902 3.712 80 HE2 PHE 9 HE2 PHE 9 1.922 -3.889 6.623 81 HZ PHE 9 HZ PHE 9 3.091 -5.917 5.857 82 H ASN 10 HN ASN 10 1.738 1.108 1.243 83 HA ASN 10 HA ASN 10 0.012 1.897 3.465 84 1HB ASN 10 HB2 ASN 10 0.542 4.161 2.907 85 2HB ASN 10 HB1 ASN 10 2.047 3.251 2.820 86 1HD2 ASN 10 HD21 ASN 10 -0.435 4.871 1.002 87 2HD2 ASN 10 HD22 ASN 10 0.440 4.974 -0.484 88 H ILE 11 HN ILE 11 -0.325 0.724 0.397 89 HA ILE 11 HA ILE 11 -2.591 2.352 -0.389 90 HB ILE 11 HB ILE 11 -1.556 -0.166 -1.694 91 1HG1 ILE 11 HG12 ILE 11 -0.879 2.741 -2.184 92 2HG1 ILE 11 HG11 ILE 11 0.223 1.467 -1.670 93 1HG2 ILE 11 HG21 ILE 11 -3.185 0.062 -3.195 94 2HG2 ILE 11 HG22 ILE 11 -2.852 1.782 -3.396 95 3HG2 ILE 11 HG23 ILE 11 -3.917 1.236 -2.101 96 1HD1 ILE 11 HD11 ILE 11 0.722 1.080 -3.785 97 2HD1 ILE 11 HD12 ILE 11 -0.441 2.302 -4.303 98 3HD1 ILE 11 HD13 ILE 11 -0.954 0.627 -4.095 99 H THR 12 HN THR 12 -1.979 -0.759 1.085 100 HA THR 12 HA THR 12 -4.532 -1.900 0.696 101 HB THR 12 HB THR 12 -3.779 -3.060 3.010 102 HG1 THR 12 HG1 THR 12 -1.791 -1.441 2.554 103 1HG2 THR 12 HG21 THR 12 -4.008 -3.903 0.530 104 2HG2 THR 12 HG22 THR 12 -3.114 -4.847 1.722 105 3HG2 THR 12 HG23 THR 12 -2.246 -3.833 0.570 106 H ASN 13 HN ASN 13 -3.760 0.848 2.347 107 HA ASN 13 HA ASN 13 -5.613 0.480 4.552 108 1HB ASN 13 HB2 ASN 13 -3.981 2.881 3.701 109 2HB ASN 13 HB1 ASN 13 -4.977 2.806 5.151 110 1HD2 ASN 13 HD21 ASN 13 -1.938 2.298 3.871 111 2HD2 ASN 13 HD22 ASN 13 -1.247 1.403 5.178 112 H TRP 14 HN TRP 14 -5.403 2.370 1.555 113 HA TRP 14 HA TRP 14 -8.151 3.290 1.985 114 1HB TRP 14 HB2 TRP 14 -7.577 4.635 -0.193 115 2HB TRP 14 HB1 TRP 14 -6.970 5.171 1.368 116 HD1 TRP 14 HD1 TRP 14 -4.323 4.275 1.888 117 HE1 TRP 14 HE1 TRP 14 -2.341 4.269 0.256 118 HE3 TRP 14 HE3 TRP 14 -6.904 4.468 -2.516 119 HZ2 TRP 14 HZ2 TRP 14 -1.921 4.345 -2.536 120 HZ3 TRP 14 HZ3 TRP 14 -5.638 4.503 -4.625 121 HH2 TRP 14 HH2 TRP 14 -3.197 4.443 -4.633 122 H LEU 15 HN LEU 15 -6.159 1.529 -0.351 123 HA LEU 15 HA LEU 15 -8.093 1.120 -2.314 124 1HB LEU 15 HB2 LEU 15 -6.562 -0.212 -3.294 125 2HB LEU 15 HB1 LEU 15 -5.500 0.419 -2.053 126 HG LEU 15 HG LEU 15 -6.380 -1.674 -0.707 127 1HD1 LEU 15 HD11 LEU 15 -7.850 -2.135 -2.851 128 2HD1 LEU 15 HD12 LEU 15 -7.149 -3.452 -1.907 129 3HD1 LEU 15 HD13 LEU 15 -6.370 -2.925 -3.399 130 1HD2 LEU 15 HD21 LEU 15 -4.405 -2.834 -1.332 131 2HD2 LEU 15 HD22 LEU 15 -4.041 -1.111 -1.435 132 3HD2 LEU 15 HD23 LEU 15 -4.356 -2.035 -2.903 133 H TRP 16 HN TRP 16 -7.516 -0.520 0.731 134 HA TRP 16 HA TRP 16 -9.259 -2.711 0.347 135 1HB TRP 16 HB2 TRP 16 -7.613 -1.703 2.427 136 2HB TRP 16 HB1 TRP 16 -9.232 -1.870 3.097 137 HD1 TRP 16 HD1 TRP 16 -9.490 -4.113 4.268 138 HE1 TRP 16 HE1 TRP 16 -8.647 -6.516 3.890 139 HE3 TRP 16 HE3 TRP 16 -6.694 -3.341 0.059 140 HZ2 TRP 16 HZ2 TRP 16 -7.011 -7.899 2.053 141 HZ3 TRP 16 HZ3 TRP 16 -5.520 -5.256 -0.945 142 HH2 TRP 16 HH2 TRP 16 -5.676 -7.488 0.032 143 H TYR 17 HN TYR 17 -9.695 0.595 1.336 144 HA TYR 17 HA TYR 17 -12.403 0.309 2.219 145 1HB TYR 17 HB2 TYR 17 -11.567 2.178 3.215 146 2HB TYR 17 HB1 TYR 17 -10.431 2.492 1.908 147 HD1 TYR 17 HD1 TYR 17 -13.916 2.966 3.033 148 HD2 TYR 17 HD2 TYR 17 -10.966 4.013 0.150 149 HE1 TYR 17 HE1 TYR 17 -15.355 4.793 2.234 150 HE2 TYR 17 HE2 TYR 17 -12.397 5.845 -0.655 151 HH TYR 17 HH TYR 17 -14.296 7.286 0.368 152 H ILE 18 HN ILE 18 -10.777 1.106 -0.772 153 HA ILE 18 HA ILE 18 -13.010 2.121 -2.179 154 HB ILE 18 HB ILE 18 -10.568 0.756 -3.325 155 1HG1 ILE 18 HG12 ILE 18 -11.004 3.717 -2.904 156 2HG1 ILE 18 HG11 ILE 18 -10.138 2.705 -1.753 157 1HG2 ILE 18 HG21 ILE 18 -12.564 2.667 -4.536 158 2HG2 ILE 18 HG22 ILE 18 -12.336 0.969 -4.954 159 3HG2 ILE 18 HG23 ILE 18 -11.069 2.143 -5.312 160 1HD1 ILE 18 HD11 ILE 18 -9.046 2.254 -4.333 161 2HD1 ILE 18 HD12 ILE 18 -8.281 2.972 -2.914 162 3HD1 ILE 18 HD13 ILE 18 -9.149 3.994 -4.061 163 H LYS 19 HN LYS 19 -11.577 -1.120 -1.983 164 HA LYS 19 HA LYS 19 -13.520 -2.273 -3.755 165 1HB LYS 19 HB2 LYS 19 -11.355 -3.412 -2.002 166 2HB LYS 19 HB1 LYS 19 -12.488 -4.451 -2.855 167 1HG LYS 19 HG2 LYS 19 -11.441 -2.548 -4.695 168 2HG LYS 19 HG1 LYS 19 -10.103 -3.294 -3.818 169 1HD LYS 19 HD2 LYS 19 -12.116 -5.230 -4.615 170 2HD LYS 19 HD1 LYS 19 -11.443 -4.359 -5.995 171 1HE LYS 19 HE2 LYS 19 -9.158 -4.881 -5.027 172 2HE LYS 19 HE1 LYS 19 -9.983 -5.992 -3.932 173 1HZ LYS 19 HZ1 LYS 19 -10.110 -6.128 -6.902 174 2HZ LYS 19 HZ2 LYS 19 -10.809 -7.225 -5.822 175 3HZ LYS 19 HZ3 LYS 19 -9.125 -7.104 -5.932 176 1HN NH2 20 HN1 LYS 19 -13.335 -2.015 -0.141 177 2HN NH2 20 HN2 LYS 19 -14.211 -3.488 0.079 Start of MODEL 13 1 1H LYS 1 HT1 LYS 1 -18.672 -2.207 2.996 2 2H LYS 1 HT2 LYS 1 -17.244 -2.066 3.892 3 3H LYS 1 HT3 LYS 1 -17.485 -3.409 2.892 4 HA LYS 1 HA LYS 1 -17.626 -1.782 0.980 5 1HB LYS 1 HB2 LYS 1 -17.128 -0.060 3.274 6 2HB LYS 1 HB1 LYS 1 -15.939 0.186 2.002 7 1HG LYS 1 HG2 LYS 1 -18.811 0.106 1.246 8 2HG LYS 1 HG1 LYS 1 -18.192 1.541 2.066 9 1HD LYS 1 HD2 LYS 1 -16.613 1.954 0.353 10 2HD LYS 1 HD1 LYS 1 -16.863 0.360 -0.361 11 1HE LYS 1 HE2 LYS 1 -18.901 2.580 -0.251 12 2HE LYS 1 HE1 LYS 1 -17.950 2.130 -1.665 13 1HZ LYS 1 HZ1 LYS 1 -20.113 0.617 -0.343 14 2HZ LYS 1 HZ2 LYS 1 -18.985 -0.166 -1.331 15 3HZ LYS 1 HZ3 LYS 1 -19.967 1.053 -1.972 16 H TRP 2 HN TRP 2 -15.296 -0.762 0.222 17 HA TRP 2 HA TRP 2 -13.213 -2.662 1.046 18 1HB TRP 2 HB2 TRP 2 -12.553 -2.953 -1.320 19 2HB TRP 2 HB1 TRP 2 -14.176 -3.553 -1.002 20 HD1 TRP 2 HD1 TRP 2 -16.227 -2.176 -2.070 21 HE1 TRP 2 HE1 TRP 2 -16.330 -0.541 -4.055 22 HE3 TRP 2 HE3 TRP 2 -11.239 -1.149 -2.540 23 HZ2 TRP 2 HZ2 TRP 2 -14.535 0.982 -5.614 24 HZ3 TRP 2 HZ3 TRP 2 -10.516 0.406 -4.303 25 HH2 TRP 2 HH2 TRP 2 -12.131 1.449 -5.808 26 H ALA 3 HN ALA 3 -13.961 0.376 1.176 27 HA ALA 3 HA ALA 3 -11.768 1.675 -0.135 28 1HB ALA 3 HB1 ALA 3 -12.620 3.672 0.699 29 2HB ALA 3 HB2 ALA 3 -13.348 2.889 2.101 30 3HB ALA 3 HB3 ALA 3 -14.055 2.667 0.501 31 H SER 4 HN SER 4 -11.353 -0.491 2.016 32 HA SER 4 HA SER 4 -9.398 1.050 3.587 33 1HB SER 4 HB2 SER 4 -10.836 -1.405 4.602 34 2HB SER 4 HB1 SER 4 -9.829 -0.287 5.521 35 HG SER 4 HG SER 4 -11.701 0.590 5.954 36 H LEU 5 HN LEU 5 -8.736 -0.081 1.148 37 HA LEU 5 HA LEU 5 -6.875 -2.170 2.026 38 1HB LEU 5 HB2 LEU 5 -7.247 -3.524 0.112 39 2HB LEU 5 HB1 LEU 5 -8.812 -3.199 0.830 40 HG LEU 5 HG LEU 5 -8.789 -1.225 -0.977 41 1HD1 LEU 5 HD11 LEU 5 -7.863 -2.217 -3.101 42 2HD1 LEU 5 HD12 LEU 5 -6.982 -3.359 -2.087 43 3HD1 LEU 5 HD13 LEU 5 -6.666 -1.630 -1.947 44 1HD2 LEU 5 HD21 LEU 5 -9.490 -4.107 -1.521 45 2HD2 LEU 5 HD22 LEU 5 -10.072 -2.722 -2.445 46 3HD2 LEU 5 HD23 LEU 5 -10.524 -2.904 -0.750 47 H TRP 6 HN TRP 6 -7.606 0.545 -0.003 48 HA TRP 6 HA TRP 6 -5.211 0.418 -1.558 49 1HB TRP 6 HB2 TRP 6 -5.984 2.286 -2.650 50 2HB TRP 6 HB1 TRP 6 -7.498 1.677 -1.996 51 HD1 TRP 6 HD1 TRP 6 -8.746 3.164 -0.214 52 HE1 TRP 6 HE1 TRP 6 -8.385 5.564 0.643 53 HE3 TRP 6 HE3 TRP 6 -4.070 4.009 -2.103 54 HZ2 TRP 6 HZ2 TRP 6 -6.383 7.552 0.533 55 HZ3 TRP 6 HZ3 TRP 6 -3.001 6.183 -1.680 56 HH2 TRP 6 HH2 TRP 6 -4.136 7.919 -0.391 57 H ASN 7 HN ASN 7 -6.088 1.793 1.516 58 HA ASN 7 HA ASN 7 -4.053 3.686 1.804 59 1HB ASN 7 HB2 ASN 7 -4.427 2.621 4.355 60 2HB ASN 7 HB1 ASN 7 -5.260 4.006 3.659 61 1HD2 ASN 7 HD21 ASN 7 -5.403 0.461 3.599 62 2HD2 ASN 7 HD22 ASN 7 -7.125 0.361 3.694 63 H TRP 8 HN TRP 8 -3.916 0.258 1.829 64 HA TRP 8 HA TRP 8 -1.144 0.369 2.818 65 1HB TRP 8 HB2 TRP 8 -1.472 -1.498 4.042 66 2HB TRP 8 HB1 TRP 8 -3.183 -1.131 3.863 67 HD1 TRP 8 HD1 TRP 8 -4.604 -2.677 2.232 68 HE1 TRP 8 HE1 TRP 8 -4.143 -4.990 1.193 69 HE3 TRP 8 HE3 TRP 8 0.414 -2.953 3.096 70 HZ2 TRP 8 HZ2 TRP 8 -1.928 -6.704 0.794 71 HZ3 TRP 8 HZ3 TRP 8 1.637 -4.954 2.359 72 HH2 TRP 8 HH2 TRP 8 0.489 -6.793 1.232 73 H PHE 9 HN PHE 9 -3.279 -0.692 0.283 74 HA PHE 9 HA PHE 9 -1.491 -2.370 -1.108 75 1HB PHE 9 HB2 PHE 9 -4.076 -1.904 -1.412 76 2HB PHE 9 HB1 PHE 9 -3.503 -0.727 -2.588 77 HD1 PHE 9 HD1 PHE 9 -2.923 -4.292 -1.647 78 HD2 PHE 9 HD2 PHE 9 -3.303 -1.419 -4.763 79 HE1 PHE 9 HE1 PHE 9 -2.704 -6.082 -3.319 80 HE2 PHE 9 HE2 PHE 9 -3.085 -3.204 -6.441 81 HZ PHE 9 HZ PHE 9 -2.784 -5.540 -5.721 82 H ASN 10 HN ASN 10 -1.680 1.034 -0.757 83 HA ASN 10 HA ASN 10 -0.023 1.542 -3.097 84 1HB ASN 10 HB2 ASN 10 -0.882 3.618 -3.052 85 2HB ASN 10 HB1 ASN 10 -1.981 3.031 -1.810 86 1HD2 ASN 10 HD21 ASN 10 -1.000 3.059 0.448 87 2HD2 ASN 10 HD22 ASN 10 -0.123 4.484 0.876 88 H ILE 11 HN ILE 11 0.305 0.830 0.169 89 HA ILE 11 HA ILE 11 2.715 2.276 0.705 90 HB ILE 11 HB ILE 11 1.620 -0.150 2.136 91 1HG1 ILE 11 HG12 ILE 11 1.188 2.807 2.610 92 2HG1 ILE 11 HG11 ILE 11 -0.033 1.620 2.156 93 1HG2 ILE 11 HG21 ILE 11 3.076 1.626 3.816 94 2HG2 ILE 11 HG22 ILE 11 4.066 1.248 2.406 95 3HG2 ILE 11 HG23 ILE 11 3.432 -0.054 3.412 96 1HD1 ILE 11 HD11 ILE 11 0.730 0.483 4.405 97 2HD1 ILE 11 HD12 ILE 11 -0.446 1.797 4.386 98 3HD1 ILE 11 HD13 ILE 11 1.240 2.127 4.789 99 H THR 12 HN THR 12 1.907 -0.854 -0.612 100 HA THR 12 HA THR 12 4.476 -2.038 -0.366 101 HB THR 12 HB THR 12 3.447 -3.332 -2.507 102 HG1 THR 12 HG1 THR 12 1.075 -2.885 -1.133 103 1HG2 THR 12 HG21 THR 12 2.978 -3.633 0.433 104 2HG2 THR 12 HG22 THR 12 3.960 -4.619 -0.650 105 3HG2 THR 12 HG23 THR 12 2.201 -4.739 -0.700 106 H ASN 13 HN ASN 13 3.639 0.637 -2.025 107 HA ASN 13 HA ASN 13 5.188 0.105 -4.430 108 1HB ASN 13 HB2 ASN 13 3.489 2.399 -3.490 109 2HB ASN 13 HB1 ASN 13 4.591 2.596 -4.849 110 1HD2 ASN 13 HD21 ASN 13 1.507 1.862 -4.011 111 2HD2 ASN 13 HD22 ASN 13 1.018 1.000 -5.426 112 H TRP 14 HN TRP 14 5.329 2.203 -1.565 113 HA TRP 14 HA TRP 14 8.032 3.023 -2.324 114 1HB TRP 14 HB2 TRP 14 7.714 4.465 -0.151 115 2HB TRP 14 HB1 TRP 14 6.960 4.950 -1.664 116 HD1 TRP 14 HD1 TRP 14 4.259 4.178 -1.880 117 HE1 TRP 14 HE1 TRP 14 2.456 4.238 -0.055 118 HE3 TRP 14 HE3 TRP 14 7.281 4.284 2.237 119 HZ2 TRP 14 HZ2 TRP 14 2.326 4.324 2.767 120 HZ3 TRP 14 HZ3 TRP 14 6.240 4.358 4.464 121 HH2 TRP 14 HH2 TRP 14 3.812 4.378 4.722 122 H LEU 15 HN LEU 15 6.287 1.344 0.246 123 HA LEU 15 HA LEU 15 8.438 1.005 2.007 124 1HB LEU 15 HB2 LEU 15 7.012 -0.239 3.231 125 2HB LEU 15 HB1 LEU 15 5.820 0.367 2.103 126 HG LEU 15 HG LEU 15 6.443 -1.803 0.757 127 1HD1 LEU 15 HD11 LEU 15 7.660 -2.218 3.405 128 2HD1 LEU 15 HD12 LEU 15 8.039 -2.959 1.849 129 3HD1 LEU 15 HD13 LEU 15 6.674 -3.549 2.797 130 1HD2 LEU 15 HD21 LEU 15 4.231 -1.317 1.588 131 2HD2 LEU 15 HD22 LEU 15 4.714 -1.762 3.225 132 3HD2 LEU 15 HD23 LEU 15 4.643 -2.991 1.962 133 H TRP 16 HN TRP 16 7.461 -0.754 -0.866 134 HA TRP 16 HA TRP 16 9.212 -2.958 -0.578 135 1HB TRP 16 HB2 TRP 16 7.322 -2.047 -2.488 136 2HB TRP 16 HB1 TRP 16 8.839 -2.282 -3.347 137 HD1 TRP 16 HD1 TRP 16 8.923 -4.597 -4.398 138 HE1 TRP 16 HE1 TRP 16 8.119 -6.957 -3.760 139 HE3 TRP 16 HE3 TRP 16 6.703 -3.518 0.080 140 HZ2 TRP 16 HZ2 TRP 16 6.728 -8.197 -1.641 141 HZ3 TRP 16 HZ3 TRP 16 5.658 -5.349 1.349 142 HH2 TRP 16 HH2 TRP 16 5.671 -7.639 0.505 143 H TYR 17 HN TYR 17 9.574 0.301 -1.683 144 HA TYR 17 HA TYR 17 12.139 -0.070 -2.920 145 1HB TYR 17 HB2 TYR 17 11.326 1.818 -3.865 146 2HB TYR 17 HB1 TYR 17 10.215 2.110 -2.533 147 HD1 TYR 17 HD1 TYR 17 10.768 3.643 -0.779 148 HD2 TYR 17 HD2 TYR 17 13.639 2.696 -3.773 149 HE1 TYR 17 HE1 TYR 17 12.164 5.522 -0.027 150 HE2 TYR 17 HE2 TYR 17 15.044 4.572 -3.028 151 HH TYR 17 HH TYR 17 15.279 6.237 -1.583 152 H ILE 18 HN ILE 18 10.913 0.559 0.239 153 HA ILE 18 HA ILE 18 13.334 1.612 1.354 154 HB ILE 18 HB ILE 18 10.882 0.460 2.697 155 1HG1 ILE 18 HG12 ILE 18 11.674 3.358 2.614 156 2HG1 ILE 18 HG11 ILE 18 10.796 2.639 1.268 157 1HG2 ILE 18 HG21 ILE 18 11.692 1.407 4.754 158 2HG2 ILE 18 HG22 ILE 18 13.101 2.084 3.936 159 3HG2 ILE 18 HG23 ILE 18 12.929 0.336 4.096 160 1HD1 ILE 18 HD11 ILE 18 9.589 3.833 3.309 161 2HD1 ILE 18 HD12 ILE 18 9.691 2.203 3.974 162 3HD1 ILE 18 HD13 ILE 18 8.869 2.479 2.438 163 H LYS 19 HN LYS 19 11.586 -1.376 2.207 164 HA LYS 19 HA LYS 19 13.888 -2.602 3.321 165 1HB LYS 19 HB2 LYS 19 11.278 -3.854 2.443 166 2HB LYS 19 HB1 LYS 19 12.487 -4.622 3.462 167 1HG LYS 19 HG2 LYS 19 12.106 -3.035 5.218 168 2HG LYS 19 HG1 LYS 19 11.030 -2.090 4.186 169 1HD LYS 19 HD2 LYS 19 9.574 -4.146 4.028 170 2HD LYS 19 HD1 LYS 19 10.573 -4.851 5.300 171 1HE LYS 19 HE2 LYS 19 8.425 -3.716 6.035 172 2HE LYS 19 HE1 LYS 19 9.903 -3.235 6.870 173 1HZ LYS 19 HZ1 LYS 19 10.019 -1.264 5.482 174 2HZ LYS 19 HZ2 LYS 19 8.527 -1.319 6.277 175 3HZ LYS 19 HZ3 LYS 19 8.628 -1.732 4.639 176 1HN NH2 20 HN1 LYS 19 13.837 -2.351 -0.263 177 2HN NH2 20 HN2 LYS 19 12.682 -3.635 -0.286 Start of MODEL 14 1 1H LYS 1 HT1 LYS 1 -17.632 -1.036 -4.296 2 2H LYS 1 HT2 LYS 1 -16.253 -0.104 -4.599 3 3H LYS 1 HT3 LYS 1 -17.717 0.652 -4.215 4 HA LYS 1 HA LYS 1 -17.645 0.023 -2.004 5 1HB LYS 1 HB2 LYS 1 -16.187 -2.204 -3.152 6 2HB LYS 1 HB1 LYS 1 -15.389 -1.608 -1.703 7 1HG LYS 1 HG2 LYS 1 -18.318 -2.007 -1.565 8 2HG LYS 1 HG1 LYS 1 -17.301 -3.448 -1.634 9 1HD LYS 1 HD2 LYS 1 -15.945 -2.290 0.241 10 2HD LYS 1 HD1 LYS 1 -17.384 -1.289 0.442 11 1HE LYS 1 HE2 LYS 1 -18.561 -2.957 1.385 12 2HE LYS 1 HE1 LYS 1 -17.914 -4.169 0.278 13 1HZ LYS 1 HZ1 LYS 1 -17.304 -4.276 2.767 14 2HZ LYS 1 HZ2 LYS 1 -16.202 -3.048 2.394 15 3HZ LYS 1 HZ3 LYS 1 -16.093 -4.544 1.615 16 H TRP 2 HN TRP 2 -15.784 0.301 -0.302 17 HA TRP 2 HA TRP 2 -14.121 2.511 -1.275 18 1HB TRP 2 HB2 TRP 2 -13.950 3.203 1.055 19 2HB TRP 2 HB1 TRP 2 -15.641 2.973 0.621 20 HD1 TRP 2 HD1 TRP 2 -16.940 0.938 1.773 21 HE1 TRP 2 HE1 TRP 2 -16.430 -0.462 3.872 22 HE3 TRP 2 HE3 TRP 2 -12.027 2.193 2.413 23 HZ2 TRP 2 HZ2 TRP 2 -14.234 -0.969 5.572 24 HZ3 TRP 2 HZ3 TRP 2 -10.792 1.207 4.299 25 HH2 TRP 2 HH2 TRP 2 -11.874 -0.341 5.845 26 H ALA 3 HN ALA 3 -13.809 -0.693 -0.861 27 HA ALA 3 HA ALA 3 -11.327 -0.837 0.565 28 1HB ALA 3 HB1 ALA 3 -11.771 -3.128 -1.097 29 2HB ALA 3 HB2 ALA 3 -13.275 -2.660 -0.305 30 3HB ALA 3 HB3 ALA 3 -11.837 -2.993 0.659 31 H SER 4 HN SER 4 -11.582 0.862 -1.956 32 HA SER 4 HA SER 4 -9.537 -0.417 -3.620 33 1HB SER 4 HB2 SER 4 -10.992 2.154 -4.236 34 2HB SER 4 HB1 SER 4 -10.137 1.092 -5.355 35 HG SER 4 HG SER 4 -12.704 0.972 -4.475 36 H LEU 5 HN LEU 5 -8.902 0.689 -1.009 37 HA LEU 5 HA LEU 5 -7.003 2.765 -1.872 38 1HB LEU 5 HB2 LEU 5 -7.218 3.857 0.282 39 2HB LEU 5 HB1 LEU 5 -8.775 3.768 -0.518 40 HG LEU 5 HG LEU 5 -8.942 1.546 0.984 41 1HD1 LEU 5 HD11 LEU 5 -7.134 3.425 2.492 42 2HD1 LEU 5 HD12 LEU 5 -6.811 1.750 2.048 43 3HD1 LEU 5 HD13 LEU 5 -8.054 2.122 3.242 44 1HD2 LEU 5 HD21 LEU 5 -9.571 4.392 1.737 45 2HD2 LEU 5 HD22 LEU 5 -10.127 3.000 2.667 46 3HD2 LEU 5 HD23 LEU 5 -10.639 3.203 0.991 47 H TRP 6 HN TRP 6 -7.643 -0.035 0.121 48 HA TRP 6 HA TRP 6 -5.132 -0.056 1.456 49 1HB TRP 6 HB2 TRP 6 -5.906 -1.903 2.540 50 2HB TRP 6 HB1 TRP 6 -7.446 -1.330 1.913 51 HD1 TRP 6 HD1 TRP 6 -8.582 -2.754 -0.045 52 HE1 TRP 6 HE1 TRP 6 -8.187 -5.158 -0.879 53 HE3 TRP 6 HE3 TRP 6 -4.066 -3.653 2.177 54 HZ2 TRP 6 HZ2 TRP 6 -6.220 -7.168 -0.627 55 HZ3 TRP 6 HZ3 TRP 6 -2.993 -5.839 1.828 56 HH2 TRP 6 HH2 TRP 6 -4.050 -7.561 0.456 57 H ASN 7 HN ASN 7 -6.204 -1.146 -1.651 58 HA ASN 7 HA ASN 7 -4.353 -3.137 -2.217 59 1HB ASN 7 HB2 ASN 7 -4.716 -1.512 -4.553 60 2HB ASN 7 HB1 ASN 7 -5.383 -3.102 -4.200 61 1HD2 ASN 7 HD21 ASN 7 -6.042 0.159 -4.651 62 2HD2 ASN 7 HD22 ASN 7 -7.700 0.153 -4.169 63 H TRP 8 HN TRP 8 -3.938 0.283 -1.988 64 HA TRP 8 HA TRP 8 -1.137 -0.010 -2.842 65 1HB TRP 8 HB2 TRP 8 -1.242 1.928 -4.006 66 2HB TRP 8 HB1 TRP 8 -2.977 1.637 -3.986 67 HD1 TRP 8 HD1 TRP 8 -4.469 3.220 -2.473 68 HE1 TRP 8 HE1 TRP 8 -3.994 5.465 -1.299 69 HE3 TRP 8 HE3 TRP 8 0.627 3.233 -2.795 70 HZ2 TRP 8 HZ2 TRP 8 -1.745 7.031 -0.603 71 HZ3 TRP 8 HZ3 TRP 8 1.867 5.132 -1.852 72 HH2 TRP 8 HH2 TRP 8 0.706 6.995 -0.779 73 H PHE 9 HN PHE 9 -3.311 0.982 -0.359 74 HA PHE 9 HA PHE 9 -1.557 2.575 1.179 75 1HB PHE 9 HB2 PHE 9 -4.158 2.149 1.358 76 2HB PHE 9 HB1 PHE 9 -3.661 0.884 2.474 77 HD1 PHE 9 HD1 PHE 9 -1.935 4.130 2.085 78 HD2 PHE 9 HD2 PHE 9 -4.604 1.790 4.435 79 HE1 PHE 9 HE1 PHE 9 -1.791 5.790 3.896 80 HE2 PHE 9 HE2 PHE 9 -4.464 3.445 6.248 81 HZ PHE 9 HZ PHE 9 -3.057 5.448 5.981 82 H ASN 10 HN ASN 10 -1.796 -0.806 0.658 83 HA ASN 10 HA ASN 10 -0.222 -1.446 3.027 84 1HB ASN 10 HB2 ASN 10 -0.938 -3.599 2.801 85 2HB ASN 10 HB1 ASN 10 -2.222 -2.825 1.877 86 1HD2 ASN 10 HD21 ASN 10 -1.348 -2.363 -0.505 87 2HD2 ASN 10 HD22 ASN 10 -0.730 -3.773 -1.287 88 H ILE 11 HN ILE 11 0.257 -0.579 -0.175 89 HA ILE 11 HA ILE 11 2.633 -2.123 -0.660 90 HB ILE 11 HB ILE 11 1.716 0.347 -2.135 91 1HG1 ILE 11 HG12 ILE 11 1.037 -2.568 -2.584 92 2HG1 ILE 11 HG11 ILE 11 -0.083 -1.278 -2.159 93 1HG2 ILE 11 HG21 ILE 11 3.000 -1.397 -3.873 94 2HG2 ILE 11 HG22 ILE 11 3.965 -1.456 -2.398 95 3HG2 ILE 11 HG23 ILE 11 3.660 0.089 -3.191 96 1HD1 ILE 11 HD11 ILE 11 0.149 -2.151 -4.626 97 2HD1 ILE 11 HD12 ILE 11 1.487 -1.003 -4.664 98 3HD1 ILE 11 HD13 ILE 11 -0.140 -0.446 -4.278 99 H THR 12 HN THR 12 1.867 1.012 0.670 100 HA THR 12 HA THR 12 4.442 2.172 0.480 101 HB THR 12 HB THR 12 3.391 3.333 2.722 102 HG1 THR 12 HG1 THR 12 1.473 2.231 2.745 103 1HG2 THR 12 HG21 THR 12 3.981 4.108 0.197 104 2HG2 THR 12 HG22 THR 12 3.207 5.150 1.391 105 3HG2 THR 12 HG23 THR 12 2.227 4.304 0.193 106 H ASN 13 HN ASN 13 3.535 -0.533 2.108 107 HA ASN 13 HA ASN 13 5.172 -0.091 4.473 108 1HB ASN 13 HB2 ASN 13 3.363 -2.316 3.562 109 2HB ASN 13 HB1 ASN 13 4.475 -2.547 4.908 110 1HD2 ASN 13 HD21 ASN 13 1.689 -0.794 3.758 111 2HD2 ASN 13 HD22 ASN 13 1.139 -0.262 5.307 112 H TRP 14 HN TRP 14 5.129 -2.284 1.654 113 HA TRP 14 HA TRP 14 7.819 -3.180 2.342 114 1HB TRP 14 HB2 TRP 14 7.419 -4.636 0.209 115 2HB TRP 14 HB1 TRP 14 6.626 -5.053 1.721 116 HD1 TRP 14 HD1 TRP 14 3.968 -4.161 1.895 117 HE1 TRP 14 HE1 TRP 14 2.181 -4.141 0.052 118 HE3 TRP 14 HE3 TRP 14 7.022 -4.437 -2.190 119 HZ2 TRP 14 HZ2 TRP 14 2.077 -4.240 -2.769 120 HZ3 TRP 14 HZ3 TRP 14 6.001 -4.474 -4.426 121 HH2 TRP 14 HH2 TRP 14 3.577 -4.377 -4.709 122 H LEU 15 HN LEU 15 6.131 -1.380 -0.171 123 HA LEU 15 HA LEU 15 8.259 -1.184 -1.988 124 1HB LEU 15 HB2 LEU 15 6.895 0.164 -3.174 125 2HB LEU 15 HB1 LEU 15 5.688 -0.378 -2.027 126 HG LEU 15 HG LEU 15 6.492 1.731 -0.673 127 1HD1 LEU 15 HD11 LEU 15 7.289 3.525 -1.952 128 2HD1 LEU 15 HD12 LEU 15 6.955 2.700 -3.475 129 3HD1 LEU 15 HD13 LEU 15 8.279 2.149 -2.445 130 1HD2 LEU 15 HD21 LEU 15 4.235 1.205 -1.707 131 2HD2 LEU 15 HD22 LEU 15 4.769 2.149 -3.098 132 3HD2 LEU 15 HD23 LEU 15 4.636 2.912 -1.514 133 H TRP 16 HN TRP 16 7.463 0.597 0.915 134 HA TRP 16 HA TRP 16 9.345 2.694 0.604 135 1HB TRP 16 HB2 TRP 16 7.398 1.927 2.506 136 2HB TRP 16 HB1 TRP 16 8.926 2.022 3.374 137 HD1 TRP 16 HD1 TRP 16 9.283 4.317 4.406 138 HE1 TRP 16 HE1 TRP 16 8.661 6.743 3.806 139 HE3 TRP 16 HE3 TRP 16 6.808 3.457 0.020 140 HZ2 TRP 16 HZ2 TRP 16 7.299 8.109 1.743 141 HZ3 TRP 16 HZ3 TRP 16 5.873 5.374 -1.204 142 HH2 TRP 16 HH2 TRP 16 6.113 7.651 -0.359 143 H TYR 17 HN TYR 17 9.543 -0.600 1.534 144 HA TYR 17 HA TYR 17 12.095 -0.412 2.856 145 1HB TYR 17 HB2 TYR 17 11.030 -2.239 3.713 146 2HB TYR 17 HB1 TYR 17 10.114 -2.528 2.238 147 HD1 TYR 17 HD1 TYR 17 13.363 -3.080 3.905 148 HD2 TYR 17 HD2 TYR 17 10.869 -4.093 0.610 149 HE1 TYR 17 HE1 TYR 17 14.856 -4.956 3.362 150 HE2 TYR 17 HE2 TYR 17 12.356 -5.973 0.056 151 HH TYR 17 HH TYR 17 15.017 -6.892 2.153 152 H ILE 18 HN ILE 18 10.876 -1.039 -0.346 153 HA ILE 18 HA ILE 18 13.274 -2.130 -1.435 154 HB ILE 18 HB ILE 18 10.950 -0.803 -2.845 155 1HG1 ILE 18 HG12 ILE 18 11.429 -3.756 -2.779 156 2HG1 ILE 18 HG11 ILE 18 10.695 -2.987 -1.376 157 1HG2 ILE 18 HG21 ILE 18 12.793 -0.794 -4.333 158 2HG2 ILE 18 HG22 ILE 18 11.788 -2.166 -4.798 159 3HG2 ILE 18 HG23 ILE 18 13.266 -2.429 -3.872 160 1HD1 ILE 18 HD11 ILE 18 9.271 -1.984 -3.529 161 2HD1 ILE 18 HD12 ILE 18 8.750 -3.238 -2.403 162 3HD1 ILE 18 HD13 ILE 18 9.532 -3.683 -3.920 163 H LYS 19 HN LYS 19 11.715 1.050 -1.896 164 HA LYS 19 HA LYS 19 14.115 2.157 -3.044 165 1HB LYS 19 HB2 LYS 19 11.623 3.634 -2.195 166 2HB LYS 19 HB1 LYS 19 12.841 4.171 -3.344 167 1HG LYS 19 HG2 LYS 19 12.150 2.021 -4.648 168 2HG LYS 19 HG1 LYS 19 10.682 2.143 -3.677 169 1HD LYS 19 HD2 LYS 19 10.243 4.351 -4.520 170 2HD LYS 19 HD1 LYS 19 11.794 4.383 -5.362 171 1HE LYS 19 HE2 LYS 19 9.730 2.284 -5.944 172 2HE LYS 19 HE1 LYS 19 9.679 3.864 -6.726 173 1HZ LYS 19 HZ1 LYS 19 12.013 2.022 -6.808 174 2HZ LYS 19 HZ2 LYS 19 11.855 3.483 -7.646 175 3HZ LYS 19 HZ3 LYS 19 10.866 2.168 -8.044 176 1HN NH2 20 HN1 LYS 19 13.094 1.882 0.351 177 2HN NH2 20 HN2 LYS 19 14.779 2.208 0.548 Start of MODEL 15 1 1H LYS 1 HT1 LYS 1 -17.426 -0.236 5.120 2 2H LYS 1 HT2 LYS 1 -16.484 1.141 4.841 3 3H LYS 1 HT3 LYS 1 -15.739 -0.333 5.207 4 HA LYS 1 HA LYS 1 -17.352 -0.805 3.007 5 1HB LYS 1 HB2 LYS 1 -16.818 1.886 3.109 6 2HB LYS 1 HB1 LYS 1 -15.496 1.291 2.113 7 1HG LYS 1 HG2 LYS 1 -17.372 0.065 0.806 8 2HG LYS 1 HG1 LYS 1 -18.432 1.243 1.582 9 1HD LYS 1 HD2 LYS 1 -16.475 2.873 0.704 10 2HD LYS 1 HD1 LYS 1 -16.402 1.611 -0.528 11 1HE LYS 1 HE2 LYS 1 -18.059 2.731 -1.527 12 2HE LYS 1 HE1 LYS 1 -19.095 2.038 -0.280 13 1HZ LYS 1 HZ1 LYS 1 -18.301 4.122 1.045 14 2HZ LYS 1 HZ2 LYS 1 -19.566 4.249 -0.070 15 3HZ LYS 1 HZ3 LYS 1 -18.010 4.754 -0.498 16 H TRP 2 HN TRP 2 -15.921 -1.392 1.088 17 HA TRP 2 HA TRP 2 -13.671 -2.901 2.098 18 1HB TRP 2 HB2 TRP 2 -13.649 -3.989 -0.044 19 2HB TRP 2 HB1 TRP 2 -15.330 -3.836 0.458 20 HD1 TRP 2 HD1 TRP 2 -16.878 -2.138 -0.931 21 HE1 TRP 2 HE1 TRP 2 -16.617 -1.108 -3.276 22 HE3 TRP 2 HE3 TRP 2 -11.920 -3.117 -1.703 23 HZ2 TRP 2 HZ2 TRP 2 -14.577 -0.757 -5.197 24 HZ3 TRP 2 HZ3 TRP 2 -10.890 -2.403 -3.818 25 HH2 TRP 2 HH2 TRP 2 -12.192 -1.247 -5.530 26 H ALA 3 HN ALA 3 -14.019 0.200 1.132 27 HA ALA 3 HA ALA 3 -11.736 0.502 -0.568 28 1HB ALA 3 HB1 ALA 3 -12.389 2.959 0.706 29 2HB ALA 3 HB2 ALA 3 -13.888 2.123 0.299 30 3HB ALA 3 HB3 ALA 3 -12.698 2.461 -0.958 31 H SER 4 HN SER 4 -11.313 -0.842 2.043 32 HA SER 4 HA SER 4 -9.368 1.025 3.226 33 1HB SER 4 HB2 SER 4 -10.616 -1.414 4.513 34 2HB SER 4 HB1 SER 4 -9.555 -0.242 5.293 35 HG SER 4 HG SER 4 -11.161 1.140 5.437 36 H LEU 5 HN LEU 5 -8.930 -0.619 0.852 37 HA LEU 5 HA LEU 5 -6.693 -2.234 1.876 38 1HB LEU 5 HB2 LEU 5 -7.079 -3.720 -0.151 39 2HB LEU 5 HB1 LEU 5 -8.213 -3.870 1.178 40 HG LEU 5 HG LEU 5 -9.590 -2.118 -0.266 41 1HD1 LEU 5 HD11 LEU 5 -8.725 -3.604 -2.605 42 2HD1 LEU 5 HD12 LEU 5 -7.458 -2.562 -1.957 43 3HD1 LEU 5 HD13 LEU 5 -9.020 -1.877 -2.405 44 1HD2 LEU 5 HD21 LEU 5 -9.514 -5.007 -0.043 45 2HD2 LEU 5 HD22 LEU 5 -10.210 -4.477 -1.574 46 3HD2 LEU 5 HD23 LEU 5 -10.895 -3.909 -0.052 47 H TRP 6 HN TRP 6 -7.512 0.436 0.180 48 HA TRP 6 HA TRP 6 -5.422 0.142 -1.842 49 1HB TRP 6 HB2 TRP 6 -6.417 1.842 -3.034 50 2HB TRP 6 HB1 TRP 6 -7.819 1.188 -2.200 51 HD1 TRP 6 HD1 TRP 6 -9.137 2.802 -0.636 52 HE1 TRP 6 HE1 TRP 6 -8.883 5.280 0.014 53 HE3 TRP 6 HE3 TRP 6 -4.498 3.687 -2.596 54 HZ2 TRP 6 HZ2 TRP 6 -6.968 7.337 -0.266 55 HZ3 TRP 6 HZ3 TRP 6 -3.525 5.933 -2.360 56 HH2 TRP 6 HH2 TRP 6 -4.737 7.722 -1.221 57 H ASN 7 HN ASN 7 -6.206 1.983 1.043 58 HA ASN 7 HA ASN 7 -4.213 3.919 0.940 59 1HB ASN 7 HB2 ASN 7 -4.406 3.299 3.637 60 2HB ASN 7 HB1 ASN 7 -5.391 4.471 2.767 61 1HD2 ASN 7 HD21 ASN 7 -5.258 0.940 3.139 62 2HD2 ASN 7 HD22 ASN 7 -6.949 0.740 3.435 63 H TRP 8 HN TRP 8 -3.954 0.546 1.446 64 HA TRP 8 HA TRP 8 -1.175 0.838 2.368 65 1HB TRP 8 HB2 TRP 8 -1.401 -1.040 3.620 66 2HB TRP 8 HB1 TRP 8 -3.113 -0.644 3.529 67 HD1 TRP 8 HD1 TRP 8 -4.653 -2.207 2.026 68 HE1 TRP 8 HE1 TRP 8 -4.290 -4.557 1.033 69 HE3 TRP 8 HE3 TRP 8 0.398 -2.548 2.623 70 HZ2 TRP 8 HZ2 TRP 8 -2.129 -6.319 0.562 71 HZ3 TRP 8 HZ3 TRP 8 1.543 -4.584 1.880 72 HH2 TRP 8 HH2 TRP 8 0.308 -6.439 0.872 73 H PHE 9 HN PHE 9 -3.197 -0.227 -0.210 74 HA PHE 9 HA PHE 9 -1.417 -1.998 -1.499 75 1HB PHE 9 HB2 PHE 9 -3.971 -1.373 -1.943 76 2HB PHE 9 HB1 PHE 9 -3.242 -0.296 -3.130 77 HD1 PHE 9 HD1 PHE 9 -1.834 -1.240 -4.943 78 HD2 PHE 9 HD2 PHE 9 -4.094 -3.705 -2.310 79 HE1 PHE 9 HE1 PHE 9 -1.629 -3.111 -6.526 80 HE2 PHE 9 HE2 PHE 9 -3.894 -5.581 -3.891 81 HZ PHE 9 HZ PHE 9 -2.660 -5.285 -6.001 82 H ASN 10 HN ASN 10 -1.624 1.460 -1.346 83 HA ASN 10 HA ASN 10 0.216 1.863 -3.548 84 1HB ASN 10 HB2 ASN 10 -0.014 4.249 -3.030 85 2HB ASN 10 HB1 ASN 10 -1.596 3.486 -3.158 86 1HD2 ASN 10 HD21 ASN 10 0.868 4.454 -0.819 87 2HD2 ASN 10 HD22 ASN 10 -0.236 4.812 0.461 88 H ILE 11 HN ILE 11 0.412 1.083 -0.310 89 HA ILE 11 HA ILE 11 2.844 2.501 0.304 90 HB ILE 11 HB ILE 11 1.570 0.213 1.809 91 1HG1 ILE 11 HG12 ILE 11 1.204 3.207 2.053 92 2HG1 ILE 11 HG11 ILE 11 -0.027 2.018 1.636 93 1HG2 ILE 11 HG21 ILE 11 3.754 0.388 2.599 94 2HG2 ILE 11 HG22 ILE 11 2.831 1.381 3.726 95 3HG2 ILE 11 HG23 ILE 11 3.772 2.145 2.445 96 1HD1 ILE 11 HD11 ILE 11 1.082 2.764 4.269 97 2HD1 ILE 11 HD12 ILE 11 0.678 1.065 4.024 98 3HD1 ILE 11 HD13 ILE 11 -0.558 2.304 3.810 99 H THR 12 HN THR 12 1.950 -0.620 -0.959 100 HA THR 12 HA THR 12 4.405 -1.956 -0.478 101 HB THR 12 HB THR 12 3.461 -3.213 -2.696 102 HG1 THR 12 HG1 THR 12 1.390 -2.811 -2.994 103 1HG2 THR 12 HG21 THR 12 1.873 -4.068 -0.473 104 2HG2 THR 12 HG22 THR 12 3.483 -3.629 0.096 105 3HG2 THR 12 HG23 THR 12 3.297 -4.834 -1.178 106 H ASN 13 HN ASN 13 3.896 0.724 -2.264 107 HA ASN 13 HA ASN 13 5.634 0.009 -4.492 108 1HB ASN 13 HB2 ASN 13 3.878 2.343 -3.847 109 2HB ASN 13 HB1 ASN 13 5.189 2.552 -5.004 110 1HD2 ASN 13 HD21 ASN 13 3.134 -0.260 -4.419 111 2HD2 ASN 13 HD22 ASN 13 2.448 -0.311 -6.003 112 H TRP 14 HN TRP 14 5.600 2.232 -1.712 113 HA TRP 14 HA TRP 14 8.391 2.912 -2.267 114 1HB TRP 14 HB2 TRP 14 7.965 4.470 -0.204 115 2HB TRP 14 HB1 TRP 14 7.345 4.907 -1.789 116 HD1 TRP 14 HD1 TRP 14 4.641 4.217 -2.170 117 HE1 TRP 14 HE1 TRP 14 2.711 4.450 -0.492 118 HE3 TRP 14 HE3 TRP 14 7.354 4.434 2.152 119 HZ2 TRP 14 HZ2 TRP 14 2.379 4.703 2.302 120 HZ3 TRP 14 HZ3 TRP 14 6.156 4.677 4.287 121 HH2 TRP 14 HH2 TRP 14 3.719 4.807 4.359 122 H LEU 15 HN LEU 15 6.380 1.330 0.143 123 HA LEU 15 HA LEU 15 8.358 1.030 2.123 124 1HB LEU 15 HB2 LEU 15 6.801 -0.145 3.262 125 2HB LEU 15 HB1 LEU 15 5.726 0.488 2.034 126 HG LEU 15 HG LEU 15 6.372 -1.735 0.780 127 1HD1 LEU 15 HD11 LEU 15 7.977 -2.239 2.746 128 2HD1 LEU 15 HD12 LEU 15 6.975 -3.539 2.099 129 3HD1 LEU 15 HD13 LEU 15 6.511 -2.729 3.596 130 1HD2 LEU 15 HD21 LEU 15 4.444 -1.654 3.097 131 2HD2 LEU 15 HD22 LEU 15 4.398 -2.786 1.745 132 3HD2 LEU 15 HD23 LEU 15 4.118 -1.067 1.466 133 H TRP 16 HN TRP 16 7.610 -0.744 -0.791 134 HA TRP 16 HA TRP 16 9.234 -3.016 -0.289 135 1HB TRP 16 HB2 TRP 16 7.553 -2.083 -2.381 136 2HB TRP 16 HB1 TRP 16 9.130 -2.405 -3.093 137 HD1 TRP 16 HD1 TRP 16 9.265 -4.765 -4.031 138 HE1 TRP 16 HE1 TRP 16 8.285 -7.066 -3.422 139 HE3 TRP 16 HE3 TRP 16 6.565 -3.429 0.098 140 HZ2 TRP 16 HZ2 TRP 16 6.590 -8.168 -1.451 141 HZ3 TRP 16 HZ3 TRP 16 5.292 -5.165 1.287 142 HH2 TRP 16 HH2 TRP 16 5.304 -7.485 0.528 143 H TYR 17 HN TYR 17 9.836 0.220 -1.204 144 HA TYR 17 HA TYR 17 12.484 -0.267 -2.268 145 1HB TYR 17 HB2 TYR 17 11.750 1.592 -3.350 146 2HB TYR 17 HB1 TYR 17 10.617 2.010 -2.071 147 HD1 TYR 17 HD1 TYR 17 14.147 2.274 -3.148 148 HD2 TYR 17 HD2 TYR 17 11.170 3.637 -0.430 149 HE1 TYR 17 HE1 TYR 17 15.638 4.096 -2.436 150 HE2 TYR 17 HE2 TYR 17 12.653 5.462 0.288 151 HH TYR 17 HH TYR 17 15.953 5.751 -0.967 152 H ILE 18 HN ILE 18 10.964 0.659 0.720 153 HA ILE 18 HA ILE 18 13.302 1.640 2.021 154 HB ILE 18 HB ILE 18 10.754 0.571 3.247 155 1HG1 ILE 18 HG12 ILE 18 11.461 3.471 2.861 156 2HG1 ILE 18 HG11 ILE 18 10.649 2.560 1.592 157 1HG2 ILE 18 HG21 ILE 18 11.384 1.733 5.242 158 2HG2 ILE 18 HG22 ILE 18 12.798 2.430 4.450 159 3HG2 ILE 18 HG23 ILE 18 12.729 0.696 4.764 160 1HD1 ILE 18 HD11 ILE 18 9.535 2.602 4.361 161 2HD1 ILE 18 HD12 ILE 18 8.713 2.322 2.825 162 3HD1 ILE 18 HD13 ILE 18 9.249 3.946 3.255 163 H LYS 19 HN LYS 19 11.492 -1.421 2.306 164 HA LYS 19 HA LYS 19 13.648 -2.607 3.845 165 1HB LYS 19 HB2 LYS 19 11.432 -4.319 2.899 166 2HB LYS 19 HB1 LYS 19 12.149 -4.185 4.499 167 1HG LYS 19 HG2 LYS 19 10.899 -1.778 4.256 168 2HG LYS 19 HG1 LYS 19 9.813 -2.844 3.362 169 1HD LYS 19 HD2 LYS 19 10.833 -3.681 6.043 170 2HD LYS 19 HD1 LYS 19 9.508 -2.520 5.936 171 1HE LYS 19 HE2 LYS 19 8.036 -4.093 5.339 172 2HE LYS 19 HE1 LYS 19 9.153 -4.815 4.180 173 1HZ LYS 19 HZ1 LYS 19 8.732 -6.435 5.837 174 2HZ LYS 19 HZ2 LYS 19 8.990 -5.338 7.099 175 3HZ LYS 19 HZ3 LYS 19 10.290 -5.849 6.146 176 1HN NH2 20 HN1 LYS 19 12.756 -2.622 0.378 177 2HN NH2 20 HN2 LYS 19 12.986 -4.326 0.203 Start of MODEL 16 1 1H LYS 1 HT1 LYS 1 -16.216 -1.123 4.891 2 2H LYS 1 HT2 LYS 1 -16.294 -2.801 4.697 3 3H LYS 1 HT3 LYS 1 -17.708 -1.875 4.619 4 HA LYS 1 HA LYS 1 -17.216 -2.371 2.409 5 1HB LYS 1 HB2 LYS 1 -16.792 0.319 3.448 6 2HB LYS 1 HB1 LYS 1 -15.994 0.076 1.900 7 1HG LYS 1 HG2 LYS 1 -18.769 -0.890 2.074 8 2HG LYS 1 HG1 LYS 1 -18.549 0.858 2.164 9 1HD LYS 1 HD2 LYS 1 -17.150 -0.713 0.039 10 2HD LYS 1 HD1 LYS 1 -18.856 -0.300 -0.153 11 1HE LYS 1 HE2 LYS 1 -16.691 1.711 0.439 12 2HE LYS 1 HE1 LYS 1 -17.258 1.328 -1.185 13 1HZ LYS 1 HZ1 LYS 1 -18.551 3.126 -0.664 14 2HZ LYS 1 HZ2 LYS 1 -18.645 2.742 0.981 15 3HZ LYS 1 HZ3 LYS 1 -19.564 1.874 -0.142 16 H TRP 2 HN TRP 2 -15.546 -1.800 0.576 17 HA TRP 2 HA TRP 2 -13.071 -3.133 1.339 18 1HB TRP 2 HB2 TRP 2 -12.690 -3.351 -1.082 19 2HB TRP 2 HB1 TRP 2 -14.271 -3.972 -0.622 20 HD1 TRP 2 HD1 TRP 2 -16.424 -2.476 -1.344 21 HE1 TRP 2 HE1 TRP 2 -16.732 -0.811 -3.282 22 HE3 TRP 2 HE3 TRP 2 -11.512 -1.629 -2.479 23 HZ2 TRP 2 HZ2 TRP 2 -15.107 0.666 -5.057 24 HZ3 TRP 2 HZ3 TRP 2 -10.974 -0.078 -4.309 25 HH2 TRP 2 HH2 TRP 2 -12.734 1.046 -5.571 26 H ALA 3 HN ALA 3 -13.840 -0.177 1.791 27 HA ALA 3 HA ALA 3 -11.878 1.261 0.244 28 1HB ALA 3 HB1 ALA 3 -12.850 3.148 1.018 29 2HB ALA 3 HB2 ALA 3 -13.033 2.515 2.654 30 3HB ALA 3 HB3 ALA 3 -14.169 2.038 1.392 31 H SER 4 HN SER 4 -11.098 -0.964 2.158 32 HA SER 4 HA SER 4 -9.060 0.578 3.619 33 1HB SER 4 HB2 SER 4 -10.578 -1.856 4.582 34 2HB SER 4 HB1 SER 4 -9.147 -1.208 5.384 35 HG SER 4 HG SER 4 -11.479 0.320 4.871 36 H LEU 5 HN LEU 5 -8.594 -0.341 1.074 37 HA LEU 5 HA LEU 5 -6.564 -2.383 1.598 38 1HB LEU 5 HB2 LEU 5 -7.119 -3.674 -0.323 39 2HB LEU 5 HB1 LEU 5 -8.579 -3.480 0.626 40 HG LEU 5 HG LEU 5 -8.907 -1.423 -1.065 41 1HD1 LEU 5 HD11 LEU 5 -7.756 -1.521 -2.970 42 2HD1 LEU 5 HD12 LEU 5 -7.993 -3.263 -3.117 43 3HD1 LEU 5 HD13 LEU 5 -6.671 -2.632 -2.134 44 1HD2 LEU 5 HD21 LEU 5 -10.032 -3.331 -2.559 45 2HD2 LEU 5 HD22 LEU 5 -10.699 -2.808 -1.013 46 3HD2 LEU 5 HD23 LEU 5 -9.714 -4.268 -1.099 47 H TRP 6 HN TRP 6 -7.593 0.465 -0.007 48 HA TRP 6 HA TRP 6 -5.401 0.490 -1.894 49 1HB TRP 6 HB2 TRP 6 -6.352 2.409 -2.809 50 2HB TRP 6 HB1 TRP 6 -7.760 1.541 -2.210 51 HD1 TRP 6 HD1 TRP 6 -9.221 2.723 -0.391 52 HE1 TRP 6 HE1 TRP 6 -9.159 5.043 0.721 53 HE3 TRP 6 HE3 TRP 6 -4.614 4.271 -1.985 54 HZ2 TRP 6 HZ2 TRP 6 -7.393 7.238 0.901 55 HZ3 TRP 6 HZ3 TRP 6 -3.812 6.492 -1.296 56 HH2 TRP 6 HH2 TRP 6 -5.176 7.946 0.116 57 H ASN 7 HN ASN 7 -6.195 1.933 1.203 58 HA ASN 7 HA ASN 7 -4.246 3.904 1.353 59 1HB ASN 7 HB2 ASN 7 -4.377 2.985 3.938 60 2HB ASN 7 HB1 ASN 7 -5.482 4.151 3.216 61 1HD2 ASN 7 HD21 ASN 7 -5.046 0.623 3.169 62 2HD2 ASN 7 HD22 ASN 7 -6.702 0.248 3.486 63 H TRP 8 HN TRP 8 -3.892 0.496 1.424 64 HA TRP 8 HA TRP 8 -1.094 0.782 2.299 65 1HB TRP 8 HB2 TRP 8 -1.236 -1.165 3.450 66 2HB TRP 8 HB1 TRP 8 -2.959 -0.814 3.434 67 HD1 TRP 8 HD1 TRP 8 -4.505 -2.335 1.889 68 HE1 TRP 8 HE1 TRP 8 -4.110 -4.621 0.766 69 HE3 TRP 8 HE3 TRP 8 0.569 -2.559 2.309 70 HZ2 TRP 8 HZ2 TRP 8 -1.916 -6.295 0.140 71 HZ3 TRP 8 HZ3 TRP 8 1.747 -4.520 1.428 72 HH2 TRP 8 HH2 TRP 8 0.532 -6.357 0.364 73 H PHE 9 HN PHE 9 -3.177 -0.081 -0.278 74 HA PHE 9 HA PHE 9 -1.435 -1.765 -1.739 75 1HB PHE 9 HB2 PHE 9 -4.002 -1.164 -2.043 76 2HB PHE 9 HB1 PHE 9 -3.351 0.031 -3.158 77 HD1 PHE 9 HD1 PHE 9 -3.536 -3.584 -2.428 78 HD2 PHE 9 HD2 PHE 9 -2.568 -0.586 -5.289 79 HE1 PHE 9 HE1 PHE 9 -3.373 -5.310 -4.175 80 HE2 PHE 9 HE2 PHE 9 -2.404 -2.307 -7.042 81 HZ PHE 9 HZ PHE 9 -2.806 -4.672 -6.485 82 H ASN 10 HN ASN 10 -1.557 1.631 -1.216 83 HA ASN 10 HA ASN 10 0.166 2.233 -3.484 84 1HB ASN 10 HB2 ASN 10 -0.054 4.568 -2.776 85 2HB ASN 10 HB1 ASN 10 -1.637 3.810 -2.904 86 1HD2 ASN 10 HD21 ASN 10 0.900 4.657 -0.600 87 2HD2 ASN 10 HD22 ASN 10 -0.155 4.891 0.747 88 H ILE 11 HN ILE 11 0.459 1.227 -0.310 89 HA ILE 11 HA ILE 11 2.935 2.581 0.295 90 HB ILE 11 HB ILE 11 1.732 0.230 1.753 91 1HG1 ILE 11 HG12 ILE 11 1.240 3.196 2.112 92 2HG1 ILE 11 HG11 ILE 11 0.056 1.981 1.640 93 1HG2 ILE 11 HG21 ILE 11 3.781 0.400 2.702 94 2HG2 ILE 11 HG22 ILE 11 2.983 1.667 3.632 95 3HG2 ILE 11 HG23 ILE 11 3.979 2.090 2.240 96 1HD1 ILE 11 HD11 ILE 11 -0.082 1.106 3.776 97 2HD1 ILE 11 HD12 ILE 11 0.082 2.837 4.067 98 3HD1 ILE 11 HD13 ILE 11 1.476 1.775 4.262 99 H THR 12 HN THR 12 1.937 -0.456 -1.084 100 HA THR 12 HA THR 12 4.336 -1.905 -0.711 101 HB THR 12 HB THR 12 3.315 -2.881 -3.079 102 HG1 THR 12 HG1 THR 12 1.568 -1.301 -2.816 103 1HG2 THR 12 HG21 THR 12 2.745 -3.512 -0.199 104 2HG2 THR 12 HG22 THR 12 3.788 -4.368 -1.334 105 3HG2 THR 12 HG23 THR 12 2.035 -4.462 -1.504 106 H ASN 13 HN ASN 13 3.911 0.906 -2.352 107 HA ASN 13 HA ASN 13 5.661 0.287 -4.593 108 1HB ASN 13 HB2 ASN 13 4.188 2.793 -3.776 109 2HB ASN 13 HB1 ASN 13 5.281 2.723 -5.155 110 1HD2 ASN 13 HD21 ASN 13 2.277 1.545 -3.820 111 2HD2 ASN 13 HD22 ASN 13 1.586 1.035 -5.319 112 H TRP 14 HN TRP 14 5.649 2.379 -1.715 113 HA TRP 14 HA TRP 14 8.477 2.971 -2.156 114 1HB TRP 14 HB2 TRP 14 8.045 4.431 -0.021 115 2HB TRP 14 HB1 TRP 14 7.483 4.973 -1.596 116 HD1 TRP 14 HD1 TRP 14 4.759 4.299 -2.079 117 HE1 TRP 14 HE1 TRP 14 2.795 4.531 -0.440 118 HE3 TRP 14 HE3 TRP 14 7.379 4.424 2.305 119 HZ2 TRP 14 HZ2 TRP 14 2.406 4.754 2.348 120 HZ3 TRP 14 HZ3 TRP 14 6.136 4.653 4.415 121 HH2 TRP 14 HH2 TRP 14 3.700 4.814 4.435 122 H LEU 15 HN LEU 15 6.341 1.477 0.236 123 HA LEU 15 HA LEU 15 8.261 0.943 2.194 124 1HB LEU 15 HB2 LEU 15 6.606 -0.162 3.249 125 2HB LEU 15 HB1 LEU 15 5.596 0.506 1.985 126 HG LEU 15 HG LEU 15 6.243 -1.721 0.737 127 1HD1 LEU 15 HD11 LEU 15 7.735 -2.253 2.810 128 2HD1 LEU 15 HD12 LEU 15 6.803 -3.531 2.028 129 3HD1 LEU 15 HD13 LEU 15 6.210 -2.793 3.515 130 1HD2 LEU 15 HD21 LEU 15 4.249 -1.843 2.981 131 2HD2 LEU 15 HD22 LEU 15 4.179 -2.641 1.409 132 3HD2 LEU 15 HD23 LEU 15 3.983 -0.892 1.520 133 H TRP 16 HN TRP 16 7.430 -0.729 -0.776 134 HA TRP 16 HA TRP 16 8.922 -3.086 -0.358 135 1HB TRP 16 HB2 TRP 16 7.388 -1.933 -2.459 136 2HB TRP 16 HB1 TRP 16 8.962 -2.346 -3.129 137 HD1 TRP 16 HD1 TRP 16 8.820 -4.619 -4.270 138 HE1 TRP 16 HE1 TRP 16 7.691 -6.878 -3.772 139 HE3 TRP 16 HE3 TRP 16 6.386 -3.379 0.053 140 HZ2 TRP 16 HZ2 TRP 16 5.993 -7.987 -1.810 141 HZ3 TRP 16 HZ3 TRP 16 5.031 -5.097 1.177 142 HH2 TRP 16 HH2 TRP 16 4.839 -7.353 0.264 143 H TYR 17 HN TYR 17 9.733 0.133 -1.340 144 HA TYR 17 HA TYR 17 12.373 -0.483 -2.282 145 1HB TYR 17 HB2 TYR 17 11.725 1.461 -3.287 146 2HB TYR 17 HB1 TYR 17 10.691 1.936 -1.944 147 HD1 TYR 17 HD1 TYR 17 11.490 3.399 -0.237 148 HD2 TYR 17 HD2 TYR 17 14.163 1.927 -3.202 149 HE1 TYR 17 HE1 TYR 17 13.182 5.032 0.485 150 HE2 TYR 17 HE2 TYR 17 15.862 3.554 -2.487 151 HH TYR 17 HH TYR 17 15.599 6.034 -1.175 152 H ILE 18 HN ILE 18 10.898 0.566 0.717 153 HA ILE 18 HA ILE 18 13.305 1.236 2.075 154 HB ILE 18 HB ILE 18 10.637 0.423 3.243 155 1HG1 ILE 18 HG12 ILE 18 11.647 3.240 2.939 156 2HG1 ILE 18 HG11 ILE 18 10.783 2.447 1.625 157 1HG2 ILE 18 HG21 ILE 18 13.182 1.184 4.431 158 2HG2 ILE 18 HG22 ILE 18 11.763 0.441 5.170 159 3HG2 ILE 18 HG23 ILE 18 11.840 2.192 4.973 160 1HD1 ILE 18 HD11 ILE 18 8.868 2.103 3.112 161 2HD1 ILE 18 HD12 ILE 18 9.282 3.809 2.940 162 3HD1 ILE 18 HD13 ILE 18 9.735 2.934 4.403 163 H LYS 19 HN LYS 19 11.371 -1.703 1.809 164 HA LYS 19 HA LYS 19 13.012 -3.154 3.687 165 1HB LYS 19 HB2 LYS 19 10.485 -3.557 2.304 166 2HB LYS 19 HB1 LYS 19 11.483 -5.002 2.279 167 1HG LYS 19 HG2 LYS 19 10.210 -5.247 4.202 168 2HG LYS 19 HG1 LYS 19 11.747 -4.620 4.804 169 1HD LYS 19 HD2 LYS 19 10.865 -2.567 5.318 170 2HD LYS 19 HD1 LYS 19 9.608 -2.679 4.085 171 1HE LYS 19 HE2 LYS 19 8.825 -2.824 6.480 172 2HE LYS 19 HE1 LYS 19 8.296 -4.126 5.413 173 1HZ LYS 19 HZ1 LYS 19 10.660 -4.336 7.202 174 2HZ LYS 19 HZ2 LYS 19 9.917 -5.584 6.336 175 3HZ LYS 19 HZ3 LYS 19 9.112 -4.865 7.639 176 1HN NH2 20 HN1 LYS 19 13.040 -2.784 0.108 177 2HN NH2 20 HN2 LYS 19 13.529 -4.418 -0.166 Start of MODEL 17 1 1H LYS 1 HT1 LYS 1 18.405 -1.129 3.294 2 2H LYS 1 HT2 LYS 1 16.878 -0.835 3.958 3 3H LYS 1 HT3 LYS 1 17.925 0.455 3.643 4 HA LYS 1 HA LYS 1 17.792 0.050 1.281 5 1HB LYS 1 HB2 LYS 1 16.174 -2.276 2.271 6 2HB LYS 1 HB1 LYS 1 15.881 -1.625 0.664 7 1HG LYS 1 HG2 LYS 1 18.702 -2.099 1.211 8 2HG LYS 1 HG1 LYS 1 17.711 -3.557 1.306 9 1HD LYS 1 HD2 LYS 1 17.775 -3.665 -0.916 10 2HD LYS 1 HD1 LYS 1 16.821 -2.181 -0.965 11 1HE LYS 1 HE2 LYS 1 19.805 -2.119 -0.661 12 2HE LYS 1 HE1 LYS 1 19.046 -2.236 -2.248 13 1HZ LYS 1 HZ1 LYS 1 19.625 0.072 -1.228 14 2HZ LYS 1 HZ2 LYS 1 18.164 -0.130 -0.400 15 3HZ LYS 1 HZ3 LYS 1 18.184 -0.136 -2.092 16 H TRP 2 HN TRP 2 15.515 0.218 -0.014 17 HA TRP 2 HA TRP 2 13.952 2.191 1.509 18 1HB TRP 2 HB2 TRP 2 13.288 3.061 -0.751 19 2HB TRP 2 HB1 TRP 2 15.006 3.206 -0.394 20 HD1 TRP 2 HD1 TRP 2 16.692 1.722 -1.831 21 HE1 TRP 2 HE1 TRP 2 16.420 0.465 -4.060 22 HE3 TRP 2 HE3 TRP 2 11.588 1.717 -2.146 23 HZ2 TRP 2 HZ2 TRP 2 14.319 -0.413 -5.729 24 HZ3 TRP 2 HZ3 TRP 2 10.528 0.646 -4.091 25 HH2 TRP 2 HH2 TRP 2 11.867 -0.396 -5.845 26 H ALA 3 HN ALA 3 13.679 -0.857 1.175 27 HA ALA 3 HA ALA 3 11.210 -1.227 -0.226 28 1HB ALA 3 HB1 ALA 3 12.328 -3.148 1.783 29 2HB ALA 3 HB2 ALA 3 13.056 -2.951 0.189 30 3HB ALA 3 HB3 ALA 3 11.380 -3.483 0.334 31 H SER 4 HN SER 4 11.421 0.672 2.182 32 HA SER 4 HA SER 4 9.270 -0.513 3.798 33 1HB SER 4 HB2 SER 4 11.073 1.819 4.489 34 2HB SER 4 HB1 SER 4 9.877 1.074 5.549 35 HG SER 4 HG SER 4 12.054 0.331 5.894 36 H LEU 5 HN LEU 5 8.891 0.713 1.188 37 HA LEU 5 HA LEU 5 6.977 2.783 1.999 38 1HB LEU 5 HB2 LEU 5 7.542 4.175 0.108 39 2HB LEU 5 HB1 LEU 5 8.962 3.917 1.103 40 HG LEU 5 HG LEU 5 9.318 1.937 -0.684 41 1HD1 LEU 5 HD11 LEU 5 7.646 4.027 -2.030 42 2HD1 LEU 5 HD12 LEU 5 7.499 2.271 -2.099 43 3HD1 LEU 5 HD13 LEU 5 8.828 3.079 -2.932 44 1HD2 LEU 5 HD21 LEU 5 11.061 3.439 -0.244 45 2HD2 LEU 5 HD22 LEU 5 10.122 4.827 -0.794 46 3HD2 LEU 5 HD23 LEU 5 10.721 3.648 -1.962 47 H TRP 6 HN TRP 6 7.654 -0.046 0.316 48 HA TRP 6 HA TRP 6 5.412 0.278 -1.525 49 1HB TRP 6 HB2 TRP 6 6.268 -1.477 -2.777 50 2HB TRP 6 HB1 TRP 6 7.730 -0.735 -2.143 51 HD1 TRP 6 HD1 TRP 6 9.267 -2.204 -0.617 52 HE1 TRP 6 HE1 TRP 6 9.210 -4.669 0.122 53 HE3 TRP 6 HE3 TRP 6 4.540 -3.398 -2.149 54 HZ2 TRP 6 HZ2 TRP 6 7.397 -6.835 0.063 55 HZ3 TRP 6 HZ3 TRP 6 3.717 -5.687 -1.769 56 HH2 TRP 6 HH2 TRP 6 5.120 -7.370 -0.688 57 H ASN 7 HN ASN 7 6.337 -1.417 1.369 58 HA ASN 7 HA ASN 7 4.486 -3.480 1.419 59 1HB ASN 7 HB2 ASN 7 4.621 -2.713 4.060 60 2HB ASN 7 HB1 ASN 7 5.742 -3.802 3.250 61 1HD2 ASN 7 HD21 ASN 7 5.221 -0.288 3.329 62 2HD2 ASN 7 HD22 ASN 7 6.866 0.117 3.670 63 H TRP 8 HN TRP 8 3.942 -0.106 1.733 64 HA TRP 8 HA TRP 8 1.195 -0.614 2.663 65 1HB TRP 8 HB2 TRP 8 1.241 1.300 3.883 66 2HB TRP 8 HB1 TRP 8 2.979 1.029 3.834 67 HD1 TRP 8 HD1 TRP 8 4.438 2.699 2.381 68 HE1 TRP 8 HE1 TRP 8 3.923 4.995 1.327 69 HE3 TRP 8 HE3 TRP 8 -0.644 2.621 2.756 70 HZ2 TRP 8 HZ2 TRP 8 1.642 6.560 0.729 71 HZ3 TRP 8 HZ3 TRP 8 -1.925 4.540 1.922 72 HH2 TRP 8 HH2 TRP 8 -0.808 6.474 0.929 73 H PHE 9 HN PHE 9 3.140 0.619 0.098 74 HA PHE 9 HA PHE 9 1.224 2.214 -1.220 75 1HB PHE 9 HB2 PHE 9 3.874 1.284 -1.710 76 2HB PHE 9 HB1 PHE 9 2.910 0.952 -3.141 77 HD1 PHE 9 HD1 PHE 9 4.385 2.513 -4.346 78 HD2 PHE 9 HD2 PHE 9 1.932 3.793 -1.112 79 HE1 PHE 9 HE1 PHE 9 4.662 4.851 -5.065 80 HE2 PHE 9 HE2 PHE 9 2.203 6.132 -1.826 81 HZ PHE 9 HZ PHE 9 3.570 6.664 -3.805 82 H ASN 10 HN ASN 10 1.651 -1.197 -0.948 83 HA ASN 10 HA ASN 10 -0.051 -1.806 -3.216 84 1HB ASN 10 HB2 ASN 10 0.327 -4.136 -2.646 85 2HB ASN 10 HB1 ASN 10 1.863 -3.276 -2.628 86 1HD2 ASN 10 HD21 ASN 10 -0.689 -4.590 -0.608 87 2HD2 ASN 10 HD22 ASN 10 0.281 -4.795 0.806 88 H ILE 11 HN ILE 11 -0.445 -0.912 -0.028 89 HA ILE 11 HA ILE 11 -2.828 -2.441 0.529 90 HB ILE 11 HB ILE 11 -1.788 -0.025 2.010 91 1HG1 ILE 11 HG12 ILE 11 -1.170 -2.963 2.389 92 2HG1 ILE 11 HG11 ILE 11 -0.032 -1.696 1.937 93 1HG2 ILE 11 HG21 ILE 11 -3.721 -0.246 3.100 94 2HG2 ILE 11 HG22 ILE 11 -3.038 -1.716 3.793 95 3HG2 ILE 11 HG23 ILE 11 -4.055 -1.810 2.356 96 1HD1 ILE 11 HD11 ILE 11 -1.256 -2.288 4.586 97 2HD1 ILE 11 HD12 ILE 11 -0.738 -0.645 4.213 98 3HD1 ILE 11 HD13 ILE 11 0.427 -1.969 4.166 99 H THR 12 HN THR 12 -2.015 0.683 -0.781 100 HA THR 12 HA THR 12 -4.542 1.920 -0.460 101 HB THR 12 HB THR 12 -3.509 3.121 -2.696 102 HG1 THR 12 HG1 THR 12 -1.205 2.663 -1.167 103 1HG2 THR 12 HG21 THR 12 -2.215 4.106 -0.294 104 2HG2 THR 12 HG22 THR 12 -3.919 3.740 -0.020 105 3HG2 THR 12 HG23 THR 12 -3.452 4.863 -1.297 106 H ASN 13 HN ASN 13 -3.877 -0.792 -2.124 107 HA ASN 13 HA ASN 13 -5.536 -0.197 -4.448 108 1HB ASN 13 HB2 ASN 13 -3.859 -2.577 -3.664 109 2HB ASN 13 HB1 ASN 13 -4.957 -2.614 -5.040 110 1HD2 ASN 13 HD21 ASN 13 -1.877 -1.838 -3.972 111 2HD2 ASN 13 HD22 ASN 13 -1.330 -0.977 -5.367 112 H TRP 14 HN TRP 14 -5.483 -2.405 -1.655 113 HA TRP 14 HA TRP 14 -8.225 -3.206 -2.250 114 1HB TRP 14 HB2 TRP 14 -7.798 -4.656 -0.108 115 2HB TRP 14 HB1 TRP 14 -7.101 -5.126 -1.651 116 HD1 TRP 14 HD1 TRP 14 -4.417 -4.302 -1.968 117 HE1 TRP 14 HE1 TRP 14 -2.541 -4.377 -0.217 118 HE3 TRP 14 HE3 TRP 14 -7.268 -4.533 2.266 119 HZ2 TRP 14 HZ2 TRP 14 -2.298 -4.523 2.593 120 HZ3 TRP 14 HZ3 TRP 14 -6.136 -4.642 4.446 121 HH2 TRP 14 HH2 TRP 14 -3.700 -4.638 4.605 122 H LEU 15 HN LEU 15 -6.367 -1.530 0.245 123 HA LEU 15 HA LEU 15 -8.433 -1.202 2.104 124 1HB LEU 15 HB2 LEU 15 -6.962 0.061 3.258 125 2HB LEU 15 HB1 LEU 15 -5.819 -0.550 2.081 126 HG LEU 15 HG LEU 15 -6.522 1.610 0.750 127 1HD1 LEU 15 HD11 LEU 15 -7.186 3.444 2.044 128 2HD1 LEU 15 HD12 LEU 15 -6.868 2.601 3.561 129 3HD1 LEU 15 HD13 LEU 15 -8.243 2.129 2.560 130 1HD2 LEU 15 HD21 LEU 15 -4.693 1.757 3.140 131 2HD2 LEU 15 HD22 LEU 15 -4.617 2.748 1.683 132 3HD2 LEU 15 HD23 LEU 15 -4.269 1.021 1.595 133 H TRP 16 HN TRP 16 -7.570 0.596 -0.785 134 HA TRP 16 HA TRP 16 -9.322 2.780 -0.425 135 1HB TRP 16 HB2 TRP 16 -7.474 1.940 -2.371 136 2HB TRP 16 HB1 TRP 16 -9.017 2.055 -3.211 137 HD1 TRP 16 HD1 TRP 16 -9.420 4.357 -4.228 138 HE1 TRP 16 HE1 TRP 16 -8.692 6.768 -3.701 139 HE3 TRP 16 HE3 TRP 16 -6.698 3.476 0.009 140 HZ2 TRP 16 HZ2 TRP 16 -7.167 8.119 -1.746 141 HZ3 TRP 16 HZ3 TRP 16 -5.637 5.382 1.148 142 HH2 TRP 16 HH2 TRP 16 -5.867 7.655 0.287 143 H TYR 17 HN TYR 17 -9.745 -0.481 -1.475 144 HA TYR 17 HA TYR 17 -12.340 -0.083 -2.649 145 1HB TYR 17 HB2 TYR 17 -11.464 -1.938 -3.633 146 2HB TYR 17 HB1 TYR 17 -10.462 -2.331 -2.241 147 HD1 TYR 17 HD1 TYR 17 -11.177 -3.922 -0.625 148 HD2 TYR 17 HD2 TYR 17 -13.856 -2.641 -3.674 149 HE1 TYR 17 HE1 TYR 17 -12.722 -5.740 -0.026 150 HE2 TYR 17 HE2 TYR 17 -15.409 -4.453 -3.081 151 HH TYR 17 HH TYR 17 -14.525 -7.000 -0.923 152 H ILE 18 HN ILE 18 -11.031 -0.839 0.474 153 HA ILE 18 HA ILE 18 -13.442 -1.857 1.623 154 HB ILE 18 HB ILE 18 -11.035 -0.691 3.031 155 1HG1 ILE 18 HG12 ILE 18 -11.587 -3.621 2.611 156 2HG1 ILE 18 HG11 ILE 18 -10.702 -2.684 1.411 157 1HG2 ILE 18 HG21 ILE 18 -13.127 -2.608 4.055 158 2HG2 ILE 18 HG22 ILE 18 -13.102 -0.876 4.391 159 3HG2 ILE 18 HG23 ILE 18 -11.790 -1.905 4.967 160 1HD1 ILE 18 HD11 ILE 18 -8.910 -3.330 2.581 161 2HD1 ILE 18 HD12 ILE 18 -9.855 -3.681 4.028 162 3HD1 ILE 18 HD13 ILE 18 -9.368 -2.023 3.673 163 H LYS 19 HN LYS 19 -11.821 1.297 1.614 164 HA LYS 19 HA LYS 19 -13.927 2.495 3.203 165 1HB LYS 19 HB2 LYS 19 -11.613 3.844 1.802 166 2HB LYS 19 HB1 LYS 19 -12.632 4.538 3.056 167 1HG LYS 19 HG2 LYS 19 -11.761 2.997 4.686 168 2HG LYS 19 HG1 LYS 19 -10.830 2.158 3.443 169 1HD LYS 19 HD2 LYS 19 -9.305 3.881 3.235 170 2HD LYS 19 HD1 LYS 19 -10.431 5.089 3.859 171 1HE LYS 19 HE2 LYS 19 -10.070 4.471 6.065 172 2HE LYS 19 HE1 LYS 19 -9.467 2.873 5.622 173 1HZ LYS 19 HZ1 LYS 19 -7.659 4.280 6.362 174 2HZ LYS 19 HZ2 LYS 19 -8.047 5.456 5.208 175 3HZ LYS 19 HZ3 LYS 19 -7.472 3.945 4.712 176 1HN NH2 20 HN1 LYS 19 -14.274 1.859 -0.273 177 2HN NH2 20 HN2 LYS 19 -13.439 3.320 -0.661 Start of MODEL 18 1 1H LYS 1 HT1 LYS 1 17.139 2.134 -3.843 2 2H LYS 1 HT2 LYS 1 16.589 0.656 -4.454 3 3H LYS 1 HT3 LYS 1 18.196 0.816 -3.950 4 HA LYS 1 HA LYS 1 17.629 0.090 -1.962 5 1HB LYS 1 HB2 LYS 1 17.210 2.733 -1.935 6 2HB LYS 1 HB1 LYS 1 15.575 2.206 -1.564 7 1HG LYS 1 HG2 LYS 1 17.347 0.726 0.075 8 2HG LYS 1 HG1 LYS 1 17.808 2.426 0.170 9 1HD LYS 1 HD2 LYS 1 15.183 2.734 0.404 10 2HD LYS 1 HD1 LYS 1 15.295 1.082 1.015 11 1HE LYS 1 HE2 LYS 1 16.038 1.819 2.973 12 2HE LYS 1 HE1 LYS 1 17.373 2.657 2.183 13 1HZ LYS 1 HZ1 LYS 1 14.693 3.702 2.857 14 2HZ LYS 1 HZ2 LYS 1 15.665 4.459 1.698 15 3HZ LYS 1 HZ3 LYS 1 16.207 4.317 3.294 16 H TRP 2 HN TRP 2 15.732 -0.530 -0.446 17 HA TRP 2 HA TRP 2 13.779 -1.940 -2.094 18 1HB TRP 2 HB2 TRP 2 13.312 -3.245 -0.058 19 2HB TRP 2 HB1 TRP 2 15.025 -3.265 -0.462 20 HD1 TRP 2 HD1 TRP 2 16.662 -1.759 1.127 21 HE1 TRP 2 HE1 TRP 2 16.414 -1.081 3.597 22 HE3 TRP 2 HE3 TRP 2 11.661 -2.641 1.717 23 HZ2 TRP 2 HZ2 TRP 2 14.370 -0.940 5.539 24 HZ3 TRP 2 HZ3 TRP 2 10.637 -2.211 3.911 25 HH2 TRP 2 HH2 TRP 2 11.965 -1.377 5.783 26 H ALA 3 HN ALA 3 13.757 1.010 -1.197 27 HA ALA 3 HA ALA 3 11.389 1.184 0.437 28 1HB ALA 3 HB1 ALA 3 11.629 3.588 0.196 29 2HB ALA 3 HB2 ALA 3 12.857 3.359 -1.049 30 3HB ALA 3 HB3 ALA 3 13.178 2.854 0.610 31 H SER 4 HN SER 4 11.204 -0.206 -2.164 32 HA SER 4 HA SER 4 9.166 1.499 -3.434 33 1HB SER 4 HB2 SER 4 9.817 -0.483 -5.281 34 2HB SER 4 HB1 SER 4 10.331 1.203 -5.332 35 HG SER 4 HG SER 4 11.725 -0.846 -3.951 36 H LEU 5 HN LEU 5 9.113 -0.595 -1.219 37 HA LEU 5 HA LEU 5 7.001 -2.270 -2.408 38 1HB LEU 5 HB2 LEU 5 7.528 -3.937 -0.628 39 2HB LEU 5 HB1 LEU 5 8.798 -3.713 -1.814 40 HG LEU 5 HG LEU 5 9.676 -1.994 0.036 41 1HD1 LEU 5 HD11 LEU 5 8.544 -4.148 1.776 42 2HD1 LEU 5 HD12 LEU 5 7.614 -2.688 1.434 43 3HD1 LEU 5 HD13 LEU 5 9.185 -2.567 2.225 44 1HD2 LEU 5 HD21 LEU 5 10.747 -4.276 1.020 45 2HD2 LEU 5 HD22 LEU 5 11.273 -3.495 -0.471 46 3HD2 LEU 5 HD23 LEU 5 10.135 -4.841 -0.534 47 H TRP 6 HN TRP 6 7.670 0.205 -0.278 48 HA TRP 6 HA TRP 6 5.594 -0.446 1.636 49 1HB TRP 6 HB2 TRP 6 6.326 1.375 2.894 50 2HB TRP 6 HB1 TRP 6 7.807 0.833 2.116 51 HD1 TRP 6 HD1 TRP 6 9.029 2.519 0.534 52 HE1 TRP 6 HE1 TRP 6 8.631 4.981 -0.100 53 HE3 TRP 6 HE3 TRP 6 4.335 3.116 2.481 54 HZ2 TRP 6 HZ2 TRP 6 6.599 6.919 0.185 55 HZ3 TRP 6 HZ3 TRP 6 3.234 5.304 2.253 56 HH2 TRP 6 HH2 TRP 6 4.345 7.167 1.131 57 H ASN 7 HN ASN 7 6.027 1.497 -1.221 58 HA ASN 7 HA ASN 7 3.938 3.288 -1.020 59 1HB ASN 7 HB2 ASN 7 4.491 1.901 -3.619 60 2HB ASN 7 HB1 ASN 7 4.096 3.592 -3.331 61 1HD2 ASN 7 HD21 ASN 7 6.369 2.096 -4.673 62 2HD2 ASN 7 HD22 ASN 7 7.790 2.836 -4.024 63 H TRP 8 HN TRP 8 3.822 0.122 -2.586 64 HA TRP 8 HA TRP 8 0.997 0.112 -2.854 65 1HB TRP 8 HB2 TRP 8 1.296 -1.809 -4.017 66 2HB TRP 8 HB1 TRP 8 2.991 -1.343 -3.972 67 HD1 TRP 8 HD1 TRP 8 4.621 -2.782 -2.453 68 HE1 TRP 8 HE1 TRP 8 4.357 -5.077 -1.307 69 HE3 TRP 8 HE3 TRP 8 -0.443 -3.303 -2.844 70 HZ2 TRP 8 HZ2 TRP 8 2.271 -6.870 -0.660 71 HZ3 TRP 8 HZ3 TRP 8 -1.497 -5.327 -1.939 72 HH2 TRP 8 HH2 TRP 8 -0.170 -7.078 -0.869 73 H PHE 9 HN PHE 9 3.218 -0.934 -0.379 74 HA PHE 9 HA PHE 9 1.456 -2.562 1.108 75 1HB PHE 9 HB2 PHE 9 4.116 -1.816 1.313 76 2HB PHE 9 HB1 PHE 9 3.379 -1.059 2.722 77 HD1 PHE 9 HD1 PHE 9 4.138 -4.238 1.067 78 HD2 PHE 9 HD2 PHE 9 2.502 -2.375 4.526 79 HE1 PHE 9 HE1 PHE 9 4.208 -6.392 2.256 80 HE2 PHE 9 HE2 PHE 9 2.569 -4.525 5.720 81 HZ PHE 9 HZ PHE 9 3.424 -6.537 4.586 82 H ASN 10 HN ASN 10 1.726 0.826 0.689 83 HA ASN 10 HA ASN 10 0.113 1.423 3.045 84 1HB ASN 10 HB2 ASN 10 1.759 3.052 2.873 85 2HB ASN 10 HB1 ASN 10 1.720 3.049 1.113 86 1HD2 ASN 10 HD21 ASN 10 0.607 4.581 0.111 87 2HD2 ASN 10 HD22 ASN 10 -0.479 5.690 0.872 88 H ILE 11 HN ILE 11 -0.188 0.792 -0.257 89 HA ILE 11 HA ILE 11 -2.543 2.309 -0.806 90 HB ILE 11 HB ILE 11 -1.478 -0.141 -2.223 91 1HG1 ILE 11 HG12 ILE 11 -1.053 2.815 -2.704 92 2HG1 ILE 11 HG11 ILE 11 0.168 1.625 -2.265 93 1HG2 ILE 11 HG21 ILE 11 -3.273 -0.065 -3.522 94 2HG2 ILE 11 HG22 ILE 11 -2.953 1.626 -3.909 95 3HG2 ILE 11 HG23 ILE 11 -3.938 1.214 -2.505 96 1HD1 ILE 11 HD11 ILE 11 -0.880 0.597 -4.583 97 2HD1 ILE 11 HD12 ILE 11 0.612 1.528 -4.440 98 3HD1 ILE 11 HD13 ILE 11 -0.895 2.336 -4.872 99 H THR 12 HN THR 12 -1.865 -0.836 0.534 100 HA THR 12 HA THR 12 -4.445 -1.970 0.261 101 HB THR 12 HB THR 12 -3.572 -3.269 2.417 102 HG1 THR 12 HG1 THR 12 -1.710 -2.375 2.965 103 1HG2 THR 12 HG21 THR 12 -3.190 -3.560 -0.444 104 2HG2 THR 12 HG22 THR 12 -3.578 -4.779 0.770 105 3HG2 THR 12 HG23 THR 12 -1.896 -4.331 0.474 106 H ASN 13 HN ASN 13 -3.531 0.708 1.943 107 HA ASN 13 HA ASN 13 -5.189 0.282 4.285 108 1HB ASN 13 HB2 ASN 13 -3.433 2.528 3.334 109 2HB ASN 13 HB1 ASN 13 -4.563 2.769 4.663 110 1HD2 ASN 13 HD21 ASN 13 -2.200 0.331 3.622 111 2HD2 ASN 13 HD22 ASN 13 -1.471 0.131 5.175 112 H TRP 14 HN TRP 14 -5.185 2.457 1.456 113 HA TRP 14 HA TRP 14 -7.901 3.288 2.106 114 1HB TRP 14 HB2 TRP 14 -7.527 4.685 -0.076 115 2HB TRP 14 HB1 TRP 14 -6.761 5.174 1.429 116 HD1 TRP 14 HD1 TRP 14 -4.079 4.384 1.657 117 HE1 TRP 14 HE1 TRP 14 -2.279 4.347 -0.170 118 HE3 TRP 14 HE3 TRP 14 -7.107 4.378 -2.457 119 HZ2 TRP 14 HZ2 TRP 14 -2.152 4.320 -2.993 120 HZ3 TRP 14 HZ3 TRP 14 -6.067 4.348 -4.687 121 HH2 TRP 14 HH2 TRP 14 -3.640 4.321 -4.947 122 H LEU 15 HN LEU 15 -6.154 1.566 -0.451 123 HA LEU 15 HA LEU 15 -8.279 1.240 -2.226 124 1HB LEU 15 HB2 LEU 15 -6.867 -0.068 -3.395 125 2HB LEU 15 HB1 LEU 15 -5.681 0.488 -2.235 126 HG LEU 15 HG LEU 15 -6.458 -1.636 -0.894 127 1HD1 LEU 15 HD11 LEU 15 -7.297 -3.407 -2.124 128 2HD1 LEU 15 HD12 LEU 15 -6.845 -2.682 -3.667 129 3HD1 LEU 15 HD13 LEU 15 -8.212 -2.038 -2.757 130 1HD2 LEU 15 HD21 LEU 15 -4.208 -1.068 -1.929 131 2HD2 LEU 15 HD22 LEU 15 -4.726 -2.030 -3.314 132 3HD2 LEU 15 HD23 LEU 15 -4.581 -2.779 -1.724 133 H TRP 16 HN TRP 16 -7.434 -0.477 0.709 134 HA TRP 16 HA TRP 16 -9.256 -2.626 0.444 135 1HB TRP 16 HB2 TRP 16 -7.388 -1.708 2.381 136 2HB TRP 16 HB1 TRP 16 -8.934 -1.895 3.199 137 HD1 TRP 16 HD1 TRP 16 -9.130 -4.195 4.273 138 HE1 TRP 16 HE1 TRP 16 -8.339 -6.579 3.717 139 HE3 TRP 16 HE3 TRP 16 -6.673 -3.232 -0.103 140 HZ2 TRP 16 HZ2 TRP 16 -6.866 -7.880 1.691 141 HZ3 TRP 16 HZ3 TRP 16 -5.597 -5.101 -1.287 142 HH2 TRP 16 HH2 TRP 16 -5.692 -7.377 -0.407 143 H TYR 17 HN TYR 17 -9.489 0.645 1.645 144 HA TYR 17 HA TYR 17 -12.068 0.436 2.811 145 1HB TYR 17 HB2 TYR 17 -11.194 2.372 3.599 146 2HB TYR 17 HB1 TYR 17 -10.119 2.552 2.217 147 HD1 TYR 17 HD1 TYR 17 -10.666 4.011 0.421 148 HD2 TYR 17 HD2 TYR 17 -13.543 3.210 3.452 149 HE1 TYR 17 HE1 TYR 17 -12.069 5.840 -0.436 150 HE2 TYR 17 HE2 TYR 17 -14.954 5.036 2.602 151 HH TYR 17 HH TYR 17 -14.016 7.414 0.830 152 H ILE 18 HN ILE 18 -10.858 1.109 -0.398 153 HA ILE 18 HA ILE 18 -13.347 1.972 -1.505 154 HB ILE 18 HB ILE 18 -10.921 0.881 -2.945 155 1HG1 ILE 18 HG12 ILE 18 -11.556 3.798 -2.691 156 2HG1 ILE 18 HG11 ILE 18 -10.740 2.980 -1.363 157 1HG2 ILE 18 HG21 ILE 18 -11.829 2.286 -4.822 158 2HG2 ILE 18 HG22 ILE 18 -13.307 2.465 -3.877 159 3HG2 ILE 18 HG23 ILE 18 -12.791 0.866 -4.412 160 1HD1 ILE 18 HD11 ILE 18 -9.570 4.106 -3.607 161 2HD1 ILE 18 HD12 ILE 18 -9.497 2.367 -3.893 162 3HD1 ILE 18 HD13 ILE 18 -8.797 3.049 -2.425 163 H LYS 19 HN LYS 19 -11.704 -1.100 -1.142 164 HA LYS 19 HA LYS 19 -13.469 -2.542 -2.886 165 1HB LYS 19 HB2 LYS 19 -11.084 -3.099 -1.314 166 2HB LYS 19 HB1 LYS 19 -12.263 -4.399 -1.204 167 1HG LYS 19 HG2 LYS 19 -12.272 -3.927 -3.871 168 2HG LYS 19 HG1 LYS 19 -10.599 -3.542 -3.460 169 1HD LYS 19 HD2 LYS 19 -11.127 -5.881 -2.062 170 2HD LYS 19 HD1 LYS 19 -11.925 -6.116 -3.619 171 1HE LYS 19 HE2 LYS 19 -9.343 -4.932 -4.014 172 2HE LYS 19 HE1 LYS 19 -9.188 -6.379 -3.016 173 1HZ LYS 19 HZ1 LYS 19 -10.454 -7.603 -4.713 174 2HZ LYS 19 HZ2 LYS 19 -9.018 -6.960 -5.339 175 3HZ LYS 19 HZ3 LYS 19 -10.498 -6.216 -5.683 176 1HN NH2 20 HN1 LYS 19 -13.045 -2.984 0.726 177 2HN NH2 20 HN2 LYS 19 -14.446 -3.994 0.738 Start of MODEL 19 1 1H LYS 1 HT1 LYS 1 -18.119 -0.771 3.340 2 2H LYS 1 HT2 LYS 1 -18.302 -2.286 2.611 3 3H LYS 1 HT3 LYS 1 -19.365 -1.028 2.225 4 HA LYS 1 HA LYS 1 -17.984 -1.006 0.417 5 1HB LYS 1 HB2 LYS 1 -17.820 1.056 2.291 6 2HB LYS 1 HB1 LYS 1 -16.154 0.783 1.799 7 1HG LYS 1 HG2 LYS 1 -17.831 0.803 -0.515 8 2HG LYS 1 HG1 LYS 1 -18.142 2.244 0.455 9 1HD LYS 1 HD2 LYS 1 -16.194 3.153 -0.135 10 2HD LYS 1 HD1 LYS 1 -15.311 1.682 0.281 11 1HE LYS 1 HE2 LYS 1 -15.038 2.283 -2.083 12 2HE LYS 1 HE1 LYS 1 -15.834 0.723 -1.883 13 1HZ LYS 1 HZ1 LYS 1 -17.874 1.598 -2.517 14 2HZ LYS 1 HZ2 LYS 1 -16.792 2.354 -3.575 15 3HZ LYS 1 HZ3 LYS 1 -17.402 3.200 -2.243 16 H TRP 2 HN TRP 2 -15.241 -0.193 0.350 17 HA TRP 2 HA TRP 2 -13.703 -2.287 1.627 18 1HB TRP 2 HB2 TRP 2 -12.770 -3.039 -0.615 19 2HB TRP 2 HB1 TRP 2 -14.411 -3.563 -0.247 20 HD1 TRP 2 HD1 TRP 2 -16.412 -2.391 -1.638 21 HE1 TRP 2 HE1 TRP 2 -16.419 -1.230 -3.935 22 HE3 TRP 2 HE3 TRP 2 -11.387 -1.602 -2.169 23 HZ2 TRP 2 HZ2 TRP 2 -14.545 -0.128 -5.734 24 HZ3 TRP 2 HZ3 TRP 2 -10.578 -0.488 -4.207 25 HH2 TRP 2 HH2 TRP 2 -12.125 0.233 -5.952 26 H ALA 3 HN ALA 3 -13.831 0.674 1.494 27 HA ALA 3 HA ALA 3 -11.450 1.492 0.085 28 1HB ALA 3 HB1 ALA 3 -12.997 3.195 0.098 29 2HB ALA 3 HB2 ALA 3 -11.960 3.665 1.446 30 3HB ALA 3 HB3 ALA 3 -13.503 2.868 1.756 31 H SER 4 HN SER 4 -11.186 -0.550 2.197 32 HA SER 4 HA SER 4 -9.320 0.899 3.954 33 1HB SER 4 HB2 SER 4 -9.759 -1.083 5.552 34 2HB SER 4 HB1 SER 4 -10.986 0.177 5.430 35 HG SER 4 HG SER 4 -12.081 -1.193 3.922 36 H LEU 5 HN LEU 5 -8.826 -0.356 1.346 37 HA LEU 5 HA LEU 5 -6.781 -2.276 2.227 38 1HB LEU 5 HB2 LEU 5 -7.130 -3.602 0.223 39 2HB LEU 5 HB1 LEU 5 -8.602 -3.511 1.170 40 HG LEU 5 HG LEU 5 -9.052 -1.471 -0.525 41 1HD1 LEU 5 HD11 LEU 5 -7.872 -1.503 -2.408 42 2HD1 LEU 5 HD12 LEU 5 -8.080 -3.245 -2.590 43 3HD1 LEU 5 HD13 LEU 5 -6.764 -2.612 -1.601 44 1HD2 LEU 5 HD21 LEU 5 -10.690 -3.111 -0.251 45 2HD2 LEU 5 HD22 LEU 5 -9.618 -4.404 -0.788 46 3HD2 LEU 5 HD23 LEU 5 -10.245 -3.238 -1.953 47 H TRP 6 HN TRP 6 -7.769 0.204 -0.044 48 HA TRP 6 HA TRP 6 -5.466 0.207 -1.657 49 1HB TRP 6 HB2 TRP 6 -6.248 2.238 -2.557 50 2HB TRP 6 HB1 TRP 6 -7.707 1.374 -2.085 51 HD1 TRP 6 HD1 TRP 6 -9.194 2.433 -0.172 52 HE1 TRP 6 HE1 TRP 6 -9.187 4.731 0.986 53 HE3 TRP 6 HE3 TRP 6 -4.628 4.121 -1.738 54 HZ2 TRP 6 HZ2 TRP 6 -7.474 6.965 1.207 55 HZ3 TRP 6 HZ3 TRP 6 -3.878 6.346 -1.006 56 HH2 TRP 6 HH2 TRP 6 -5.274 7.739 0.435 57 H ASN 7 HN ASN 7 -6.093 1.536 1.499 58 HA ASN 7 HA ASN 7 -4.169 3.516 1.671 59 1HB ASN 7 HB2 ASN 7 -4.803 1.591 3.901 60 2HB ASN 7 HB1 ASN 7 -4.254 3.257 4.047 61 1HD2 ASN 7 HD21 ASN 7 -6.910 1.170 3.286 62 2HD2 ASN 7 HD22 ASN 7 -8.152 2.369 3.393 63 H TRP 8 HN TRP 8 -3.798 0.130 2.592 64 HA TRP 8 HA TRP 8 -0.929 0.433 2.776 65 1HB TRP 8 HB2 TRP 8 -0.950 -1.439 4.043 66 2HB TRP 8 HB1 TRP 8 -2.667 -1.077 4.176 67 HD1 TRP 8 HD1 TRP 8 -4.359 -2.650 2.834 68 HE1 TRP 8 HE1 TRP 8 -4.075 -5.006 1.822 69 HE3 TRP 8 HE3 TRP 8 0.727 -2.926 2.882 70 HZ2 TRP 8 HZ2 TRP 8 -1.953 -6.749 1.135 71 HZ3 TRP 8 HZ3 TRP 8 1.815 -4.952 2.034 72 HH2 TRP 8 HH2 TRP 8 0.504 -6.832 1.177 73 H PHE 9 HN PHE 9 -3.223 -0.624 0.438 74 HA PHE 9 HA PHE 9 -1.602 -2.403 -1.035 75 1HB PHE 9 HB2 PHE 9 -4.142 -1.948 -1.239 76 2HB PHE 9 HB1 PHE 9 -3.673 -0.632 -2.310 77 HD1 PHE 9 HD1 PHE 9 -3.019 -1.043 -4.538 78 HD2 PHE 9 HD2 PHE 9 -3.536 -4.290 -1.836 79 HE1 PHE 9 HE1 PHE 9 -2.871 -2.626 -6.417 80 HE2 PHE 9 HE2 PHE 9 -3.388 -5.878 -3.709 81 HZ PHE 9 HZ PHE 9 -3.056 -5.046 -6.003 82 H ASN 10 HN ASN 10 -1.736 1.064 -0.867 83 HA ASN 10 HA ASN 10 -0.045 1.350 -3.222 84 1HB ASN 10 HB2 ASN 10 -0.419 3.693 -3.072 85 2HB ASN 10 HB1 ASN 10 -1.967 2.928 -2.728 86 1HD2 ASN 10 HD21 ASN 10 0.878 4.348 -1.196 87 2HD2 ASN 10 HD22 ASN 10 0.053 4.922 0.210 88 H ILE 11 HN ILE 11 0.333 0.767 0.030 89 HA ILE 11 HA ILE 11 2.726 2.322 0.447 90 HB ILE 11 HB ILE 11 1.671 0.035 2.115 91 1HG1 ILE 11 HG12 ILE 11 1.180 3.015 2.337 92 2HG1 ILE 11 HG11 ILE 11 -0.016 1.785 1.941 93 1HG2 ILE 11 HG21 ILE 11 3.015 1.788 3.758 94 2HG2 ILE 11 HG22 ILE 11 4.000 1.770 2.296 95 3HG2 ILE 11 HG23 ILE 11 3.643 0.262 3.137 96 1HD1 ILE 11 HD11 ILE 11 0.935 2.689 4.521 97 2HD1 ILE 11 HD12 ILE 11 1.009 0.935 4.355 98 3HD1 ILE 11 HD13 ILE 11 -0.518 1.781 4.101 99 H THR 12 HN THR 12 1.901 -0.907 -0.587 100 HA THR 12 HA THR 12 4.416 -2.131 -0.222 101 HB THR 12 HB THR 12 3.367 -3.409 -2.423 102 HG1 THR 12 HG1 THR 12 1.152 -2.629 -0.818 103 1HG2 THR 12 HG21 THR 12 3.530 -5.050 -0.927 104 2HG2 THR 12 HG22 THR 12 2.077 -4.459 -0.121 105 3HG2 THR 12 HG23 THR 12 3.663 -3.864 0.371 106 H ASN 13 HN ASN 13 3.606 0.423 -2.180 107 HA ASN 13 HA ASN 13 5.326 -0.274 -4.409 108 1HB ASN 13 HB2 ASN 13 3.757 2.228 -3.772 109 2HB ASN 13 HB1 ASN 13 4.738 2.025 -5.220 110 1HD2 ASN 13 HD21 ASN 13 1.904 0.935 -3.503 111 2HD2 ASN 13 HD22 ASN 13 1.126 0.197 -4.858 112 H TRP 14 HN TRP 14 5.299 2.213 -1.842 113 HA TRP 14 HA TRP 14 8.041 2.920 -2.514 114 1HB TRP 14 HB2 TRP 14 7.656 4.527 -0.474 115 2HB TRP 14 HB1 TRP 14 6.939 4.884 -2.039 116 HD1 TRP 14 HD1 TRP 14 4.253 4.062 -2.259 117 HE1 TRP 14 HE1 TRP 14 2.399 4.260 -0.494 118 HE3 TRP 14 HE3 TRP 14 7.161 4.570 1.913 119 HZ2 TRP 14 HZ2 TRP 14 2.190 4.595 2.302 120 HZ3 TRP 14 HZ3 TRP 14 6.054 4.827 4.096 121 HH2 TRP 14 HH2 TRP 14 3.620 4.840 4.285 122 H LEU 15 HN LEU 15 6.246 1.417 0.135 123 HA LEU 15 HA LEU 15 8.350 1.256 1.972 124 1HB LEU 15 HB2 LEU 15 6.931 0.051 3.244 125 2HB LEU 15 HB1 LEU 15 5.752 0.561 2.055 126 HG LEU 15 HG LEU 15 6.444 -1.675 0.861 127 1HD1 LEU 15 HD11 LEU 15 6.683 -2.863 3.507 128 2HD1 LEU 15 HD12 LEU 15 8.066 -1.856 3.072 129 3HD1 LEU 15 HD13 LEU 15 7.587 -3.196 2.029 130 1HD2 LEU 15 HD21 LEU 15 4.619 -2.800 2.015 131 2HD2 LEU 15 HD22 LEU 15 4.211 -1.115 1.691 132 3HD2 LEU 15 HD23 LEU 15 4.694 -1.609 3.314 133 H TRP 16 HN TRP 16 7.540 -0.692 -0.822 134 HA TRP 16 HA TRP 16 9.306 -2.848 -0.330 135 1HB TRP 16 HB2 TRP 16 7.530 -2.046 -2.404 136 2HB TRP 16 HB1 TRP 16 9.102 -2.322 -3.143 137 HD1 TRP 16 HD1 TRP 16 9.251 -4.691 -4.065 138 HE1 TRP 16 HE1 TRP 16 8.404 -7.016 -3.355 139 HE3 TRP 16 HE3 TRP 16 6.754 -3.378 0.196 140 HZ2 TRP 16 HZ2 TRP 16 6.878 -8.143 -1.263 141 HZ3 TRP 16 HZ3 TRP 16 5.627 -5.137 1.494 142 HH2 TRP 16 HH2 TRP 16 5.688 -7.470 0.778 143 H TYR 17 HN TYR 17 9.648 0.329 -1.711 144 HA TYR 17 HA TYR 17 12.281 -0.029 -2.748 145 1HB TYR 17 HB2 TYR 17 11.413 1.785 -3.805 146 2HB TYR 17 HB1 TYR 17 10.328 2.164 -2.472 147 HD1 TYR 17 HD1 TYR 17 10.846 3.887 -0.946 148 HD2 TYR 17 HD2 TYR 17 13.825 2.526 -3.663 149 HE1 TYR 17 HE1 TYR 17 12.279 5.784 -0.318 150 HE2 TYR 17 HE2 TYR 17 15.266 4.419 -3.040 151 HH TYR 17 HH TYR 17 14.737 6.322 -0.335 152 H ILE 18 HN ILE 18 10.898 0.943 0.304 153 HA ILE 18 HA ILE 18 13.334 1.938 1.439 154 HB ILE 18 HB ILE 18 10.837 1.028 2.879 155 1HG1 ILE 18 HG12 ILE 18 11.502 3.874 2.165 156 2HG1 ILE 18 HG11 ILE 18 10.619 2.844 1.043 157 1HG2 ILE 18 HG21 ILE 18 12.145 3.186 4.162 158 2HG2 ILE 18 HG22 ILE 18 13.363 1.963 3.800 159 3HG2 ILE 18 HG23 ILE 18 11.934 1.533 4.740 160 1HD1 ILE 18 HD11 ILE 18 9.280 2.522 3.438 161 2HD1 ILE 18 HD12 ILE 18 8.780 3.523 2.074 162 3HD1 ILE 18 HD13 ILE 18 9.698 4.235 3.401 163 H LYS 19 HN LYS 19 11.803 -1.156 1.141 164 HA LYS 19 HA LYS 19 13.292 -2.440 3.231 165 1HB LYS 19 HB2 LYS 19 11.536 -3.442 1.000 166 2HB LYS 19 HB1 LYS 19 12.421 -4.546 2.043 167 1HG LYS 19 HG2 LYS 19 10.842 -2.503 3.442 168 2HG LYS 19 HG1 LYS 19 9.911 -3.682 2.516 169 1HD LYS 19 HD2 LYS 19 10.969 -5.504 3.699 170 2HD LYS 19 HD1 LYS 19 12.029 -4.379 4.549 171 1HE LYS 19 HE2 LYS 19 9.683 -3.323 5.237 172 2HE LYS 19 HE1 LYS 19 9.156 -4.985 4.972 173 1HZ LYS 19 HZ1 LYS 19 11.291 -4.081 6.838 174 2HZ LYS 19 HZ2 LYS 19 10.926 -5.702 6.520 175 3HZ LYS 19 HZ3 LYS 19 9.776 -4.708 7.263 176 1HN NH2 20 HN1 LYS 19 13.700 -2.660 -0.455 177 2HN NH2 20 HN2 LYS 19 14.687 -4.049 -0.167 Start of MODEL 20 1 1H LYS 1 HT1 LYS 1 17.018 -1.644 4.305 2 2H LYS 1 HT2 LYS 1 16.566 -0.044 4.618 3 3H LYS 1 HT3 LYS 1 18.116 -0.385 4.034 4 HA LYS 1 HA LYS 1 17.395 -0.079 1.988 5 1HB LYS 1 HB2 LYS 1 16.642 -2.659 2.766 6 2HB LYS 1 HB1 LYS 1 15.238 -2.019 1.923 7 1HG LYS 1 HG2 LYS 1 17.913 -1.699 0.666 8 2HG LYS 1 HG1 LYS 1 17.143 -3.288 0.640 9 1HD LYS 1 HD2 LYS 1 15.438 -0.999 -0.114 10 2HD LYS 1 HD1 LYS 1 16.737 -1.405 -1.238 11 1HE LYS 1 HE2 LYS 1 15.345 -3.766 -0.309 12 2HE LYS 1 HE1 LYS 1 14.241 -2.614 -1.061 13 1HZ LYS 1 HZ1 LYS 1 15.840 -2.542 -2.964 14 2HZ LYS 1 HZ2 LYS 1 15.046 -4.022 -2.761 15 3HZ LYS 1 HZ3 LYS 1 16.653 -3.849 -2.262 16 H TRP 2 HN TRP 2 15.557 0.529 0.544 17 HA TRP 2 HA TRP 2 13.671 2.167 2.046 18 1HB TRP 2 HB2 TRP 2 13.192 3.214 -0.156 19 2HB TRP 2 HB1 TRP 2 14.894 3.293 0.285 20 HD1 TRP 2 HD1 TRP 2 16.602 1.770 -1.130 21 HE1 TRP 2 HE1 TRP 2 16.413 0.735 -3.478 22 HE3 TRP 2 HE3 TRP 2 11.547 2.175 -1.798 23 HZ2 TRP 2 HZ2 TRP 2 14.392 0.168 -5.363 24 HZ3 TRP 2 HZ3 TRP 2 10.567 1.362 -3.902 25 HH2 TRP 2 HH2 TRP 2 11.962 0.380 -5.648 26 H ALA 3 HN ALA 3 13.530 -0.869 1.468 27 HA ALA 3 HA ALA 3 11.157 -1.162 -0.122 28 1HB ALA 3 HB1 ALA 3 13.034 -2.940 1.260 29 2HB ALA 3 HB2 ALA 3 12.205 -3.138 -0.285 30 3HB ALA 3 HB3 ALA 3 11.367 -3.515 1.220 31 H SER 4 HN SER 4 11.173 0.530 2.400 32 HA SER 4 HA SER 4 9.013 -0.835 3.853 33 1HB SER 4 HB2 SER 4 9.713 1.408 5.340 34 2HB SER 4 HB1 SER 4 10.221 -0.251 5.657 35 HG SER 4 HG SER 4 11.596 1.681 4.096 36 H LEU 5 HN LEU 5 8.898 0.755 1.293 37 HA LEU 5 HA LEU 5 6.828 2.654 2.175 38 1HB LEU 5 HB2 LEU 5 7.427 4.068 0.217 39 2HB LEU 5 HB1 LEU 5 8.670 3.985 1.450 40 HG LEU 5 HG LEU 5 9.557 2.028 -0.143 41 1HD1 LEU 5 HD11 LEU 5 9.257 3.285 -2.495 42 2HD1 LEU 5 HD12 LEU 5 7.682 3.619 -1.774 43 3HD1 LEU 5 HD13 LEU 5 8.229 1.953 -1.967 44 1HD2 LEU 5 HD21 LEU 5 9.998 4.986 -0.221 45 2HD2 LEU 5 HD22 LEU 5 10.879 3.918 -1.314 46 3HD2 LEU 5 HD23 LEU 5 11.036 3.718 0.431 47 H TRP 6 HN TRP 6 7.597 -0.061 0.359 48 HA TRP 6 HA TRP 6 5.424 0.333 -1.551 49 1HB TRP 6 HB2 TRP 6 6.353 -1.337 -2.845 50 2HB TRP 6 HB1 TRP 6 7.790 -0.701 -2.057 51 HD1 TRP 6 HD1 TRP 6 9.107 -2.308 -0.440 52 HE1 TRP 6 HE1 TRP 6 8.915 -4.819 0.095 53 HE3 TRP 6 HE3 TRP 6 4.565 -3.252 -2.588 54 HZ2 TRP 6 HZ2 TRP 6 7.080 -6.921 -0.337 55 HZ3 TRP 6 HZ3 TRP 6 3.661 -5.536 -2.482 56 HH2 TRP 6 HH2 TRP 6 4.895 -7.334 -1.382 57 H ASN 7 HN ASN 7 6.192 -1.385 1.356 58 HA ASN 7 HA ASN 7 4.370 -3.473 1.301 59 1HB ASN 7 HB2 ASN 7 4.445 -3.399 3.756 60 2HB ASN 7 HB1 ASN 7 6.053 -3.222 3.063 61 1HD2 ASN 7 HD21 ASN 7 7.073 -1.210 3.147 62 2HD2 ASN 7 HD22 ASN 7 6.564 0.022 4.246 63 H TRP 8 HN TRP 8 3.864 -0.088 1.813 64 HA TRP 8 HA TRP 8 1.034 -0.548 2.446 65 1HB TRP 8 HB2 TRP 8 1.015 1.420 3.606 66 2HB TRP 8 HB1 TRP 8 2.717 1.011 3.787 67 HD1 TRP 8 HD1 TRP 8 4.482 2.522 2.504 68 HE1 TRP 8 HE1 TRP 8 4.287 4.840 1.381 69 HE3 TRP 8 HE3 TRP 8 -0.592 2.866 2.273 70 HZ2 TRP 8 HZ2 TRP 8 2.226 6.580 0.512 71 HZ3 TRP 8 HZ3 TRP 8 -1.605 4.862 1.288 72 HH2 TRP 8 HH2 TRP 8 -0.229 6.692 0.423 73 H PHE 9 HN PHE 9 3.175 0.629 0.006 74 HA PHE 9 HA PHE 9 1.342 2.238 -1.431 75 1HB PHE 9 HB2 PHE 9 4.021 1.662 -1.663 76 2HB PHE 9 HB1 PHE 9 3.342 0.828 -3.057 77 HD1 PHE 9 HD1 PHE 9 2.229 2.075 -4.832 78 HD2 PHE 9 HD2 PHE 9 4.021 4.055 -1.518 79 HE1 PHE 9 HE1 PHE 9 2.148 4.204 -6.064 80 HE2 PHE 9 HE2 PHE 9 3.942 6.187 -2.744 81 HZ PHE 9 HZ PHE 9 3.004 6.264 -5.020 82 H ASN 10 HN ASN 10 1.789 -1.164 -1.142 83 HA ASN 10 HA ASN 10 0.178 -1.754 -3.497 84 1HB ASN 10 HB2 ASN 10 0.668 -4.070 -3.068 85 2HB ASN 10 HB1 ASN 10 2.166 -3.166 -2.871 86 1HD2 ASN 10 HD21 ASN 10 -0.458 -4.749 -1.173 87 2HD2 ASN 10 HD22 ASN 10 0.403 -5.011 0.301 88 H ILE 11 HN ILE 11 -0.316 -0.863 -0.359 89 HA ILE 11 HA ILE 11 -2.645 -2.507 0.164 90 HB ILE 11 HB ILE 11 -1.598 -0.137 1.719 91 1HG1 ILE 11 HG12 ILE 11 -1.103 -3.105 2.030 92 2HG1 ILE 11 HG11 ILE 11 0.091 -1.861 1.671 93 1HG2 ILE 11 HG21 ILE 11 -3.007 -1.962 3.349 94 2HG2 ILE 11 HG22 ILE 11 -4.004 -1.656 1.927 95 3HG2 ILE 11 HG23 ILE 11 -3.454 -0.310 2.923 96 1HD1 ILE 11 HD11 ILE 11 -1.281 -2.475 4.251 97 2HD1 ILE 11 HD12 ILE 11 -0.611 -0.871 3.953 98 3HD1 ILE 11 HD13 ILE 11 0.439 -2.287 3.911 99 H THR 12 HN THR 12 -1.890 0.630 -1.122 100 HA THR 12 HA THR 12 -4.388 1.888 -0.748 101 HB THR 12 HB THR 12 -3.557 3.111 -2.975 102 HG1 THR 12 HG1 THR 12 -1.028 2.865 -2.297 103 1HG2 THR 12 HG21 THR 12 -1.745 4.005 -0.983 104 2HG2 THR 12 HG22 THR 12 -3.225 3.494 -0.171 105 3HG2 THR 12 HG23 THR 12 -3.294 4.709 -1.447 106 H ASN 13 HN ASN 13 -3.736 -0.851 -2.458 107 HA ASN 13 HA ASN 13 -5.508 -0.318 -4.697 108 1HB ASN 13 HB2 ASN 13 -3.942 -2.766 -3.872 109 2HB ASN 13 HB1 ASN 13 -5.010 -2.726 -5.271 110 1HD2 ASN 13 HD21 ASN 13 -1.923 -2.050 -4.077 111 2HD2 ASN 13 HD22 ASN 13 -1.285 -1.266 -5.478 112 H TRP 14 HN TRP 14 -5.463 -2.327 -1.772 113 HA TRP 14 HA TRP 14 -8.251 -3.072 -2.277 114 1HB TRP 14 HB2 TRP 14 -7.789 -4.544 -0.163 115 2HB TRP 14 HB1 TRP 14 -7.169 -5.036 -1.734 116 HD1 TRP 14 HD1 TRP 14 -4.474 -4.269 -2.152 117 HE1 TRP 14 HE1 TRP 14 -2.534 -4.426 -0.478 118 HE3 TRP 14 HE3 TRP 14 -7.168 -4.486 2.181 119 HZ2 TRP 14 HZ2 TRP 14 -2.187 -4.625 2.319 120 HZ3 TRP 14 HZ3 TRP 14 -5.958 -4.662 4.315 121 HH2 TRP 14 HH2 TRP 14 -3.518 -4.730 4.381 122 H LEU 15 HN LEU 15 -6.200 -1.482 0.120 123 HA LEU 15 HA LEU 15 -8.142 -1.068 2.087 124 1HB LEU 15 HB2 LEU 15 -6.566 0.159 3.139 125 2HB LEU 15 HB1 LEU 15 -5.515 -0.494 1.900 126 HG LEU 15 HG LEU 15 -6.239 1.681 0.598 127 1HD1 LEU 15 HD11 LEU 15 -6.120 3.137 3.081 128 2HD1 LEU 15 HD12 LEU 15 -7.537 2.086 3.030 129 3HD1 LEU 15 HD13 LEU 15 -7.272 3.273 1.752 130 1HD2 LEU 15 HD21 LEU 15 -3.957 1.086 1.211 131 2HD2 LEU 15 HD22 LEU 15 -4.237 1.670 2.851 132 3HD2 LEU 15 HD23 LEU 15 -4.260 2.800 1.497 133 H TRP 16 HN TRP 16 -7.457 0.593 -0.908 134 HA TRP 16 HA TRP 16 -9.082 2.873 -0.492 135 1HB TRP 16 HB2 TRP 16 -7.462 1.825 -2.577 136 2HB TRP 16 HB1 TRP 16 -9.060 2.104 -3.260 137 HD1 TRP 16 HD1 TRP 16 -9.191 4.394 -4.357 138 HE1 TRP 16 HE1 TRP 16 -8.213 6.731 -3.902 139 HE3 TRP 16 HE3 TRP 16 -6.460 3.330 -0.169 140 HZ2 TRP 16 HZ2 TRP 16 -6.508 7.960 -2.018 141 HZ3 TRP 16 HZ3 TRP 16 -5.182 5.143 0.899 142 HH2 TRP 16 HH2 TRP 16 -5.207 7.409 -0.009 143 H TYR 17 HN TYR 17 -9.679 -0.394 -1.483 144 HA TYR 17 HA TYR 17 -12.361 0.055 -2.406 145 1HB TYR 17 HB2 TYR 17 -11.739 -1.856 -3.437 146 2HB TYR 17 HB1 TYR 17 -10.463 -2.170 -2.267 147 HD1 TYR 17 HD1 TYR 17 -10.806 -3.689 -0.447 148 HD2 TYR 17 HD2 TYR 17 -14.033 -2.692 -3.035 149 HE1 TYR 17 HE1 TYR 17 -12.120 -5.545 0.487 150 HE2 TYR 17 HE2 TYR 17 -15.357 -4.544 -2.105 151 HH TYR 17 HH TYR 17 -15.424 -5.875 0.025 152 H ILE 18 HN ILE 18 -10.800 -0.607 0.599 153 HA ILE 18 HA ILE 18 -13.141 -1.572 1.964 154 HB ILE 18 HB ILE 18 -10.540 -0.557 3.122 155 1HG1 ILE 18 HG12 ILE 18 -11.358 -3.431 2.703 156 2HG1 ILE 18 HG11 ILE 18 -10.428 -2.532 1.508 157 1HG2 ILE 18 HG21 ILE 18 -13.010 -1.424 4.324 158 2HG2 ILE 18 HG22 ILE 18 -11.570 -0.743 5.081 159 3HG2 ILE 18 HG23 ILE 18 -11.678 -2.479 4.794 160 1HD1 ILE 18 HD11 ILE 18 -9.627 -3.387 4.259 161 2HD1 ILE 18 HD12 ILE 18 -8.786 -2.082 3.422 162 3HD1 ILE 18 HD13 ILE 18 -8.829 -3.698 2.718 163 H LYS 19 HN LYS 19 -11.275 1.454 1.978 164 HA LYS 19 HA LYS 19 -12.919 2.819 3.816 165 1HB LYS 19 HB2 LYS 19 -10.694 3.465 2.031 166 2HB LYS 19 HB1 LYS 19 -11.823 4.797 2.236 167 1HG LYS 19 HG2 LYS 19 -10.205 5.104 3.896 168 2HG LYS 19 HG1 LYS 19 -11.592 4.408 4.736 169 1HD LYS 19 HD2 LYS 19 -10.548 2.387 5.069 170 2HD LYS 19 HD1 LYS 19 -9.496 2.579 3.665 171 1HE LYS 19 HE2 LYS 19 -7.937 3.001 5.242 172 2HE LYS 19 HE1 LYS 19 -8.623 4.625 5.170 173 1HZ LYS 19 HZ1 LYS 19 -9.215 2.504 7.163 174 2HZ LYS 19 HZ2 LYS 19 -10.137 3.914 7.017 175 3HZ LYS 19 HZ3 LYS 19 -8.502 4.014 7.445 176 1HN NH2 20 HN1 LYS 19 -13.363 2.414 0.249 177 2HN NH2 20 HN2 LYS 19 -14.086 3.973 0.076 Start of MODEL 21 1 1H LYS 1 HT1 LYS 1 16.174 -1.296 5.514 2 2H LYS 1 HT2 LYS 1 15.685 0.322 5.487 3 3H LYS 1 HT3 LYS 1 17.322 -0.068 5.319 4 HA LYS 1 HA LYS 1 17.126 -0.197 3.144 5 1HB LYS 1 HB2 LYS 1 15.443 -2.381 4.127 6 2HB LYS 1 HB1 LYS 1 14.997 -1.842 2.514 7 1HG LYS 1 HG2 LYS 1 17.824 -2.528 3.253 8 2HG LYS 1 HG1 LYS 1 16.673 -3.731 2.668 9 1HD LYS 1 HD2 LYS 1 16.603 -1.439 0.957 10 2HD LYS 1 HD1 LYS 1 18.274 -1.973 1.150 11 1HE LYS 1 HE2 LYS 1 17.324 -3.113 -0.733 12 2HE LYS 1 HE1 LYS 1 17.542 -4.277 0.574 13 1HZ LYS 1 HZ1 LYS 1 15.144 -3.460 -0.740 14 2HZ LYS 1 HZ2 LYS 1 15.016 -3.299 0.939 15 3HZ LYS 1 HZ3 LYS 1 15.419 -4.796 0.263 16 H TRP 2 HN TRP 2 15.906 0.527 1.287 17 HA TRP 2 HA TRP 2 13.971 2.551 2.008 18 1HB TRP 2 HB2 TRP 2 14.165 3.287 -0.304 19 2HB TRP 2 HB1 TRP 2 15.768 3.026 0.375 20 HD1 TRP 2 HD1 TRP 2 17.188 0.960 -0.584 21 HE1 TRP 2 HE1 TRP 2 16.989 -0.386 -2.769 22 HE3 TRP 2 HE3 TRP 2 12.479 2.376 -1.988 23 HZ2 TRP 2 HZ2 TRP 2 15.087 -0.794 -4.815 24 HZ3 TRP 2 HZ3 TRP 2 11.545 1.462 -4.071 25 HH2 TRP 2 HH2 TRP 2 12.824 -0.091 -5.455 26 H ALA 3 HN ALA 3 13.681 -0.637 1.529 27 HA ALA 3 HA ALA 3 11.449 -0.728 -0.274 28 1HB ALA 3 HB1 ALA 3 13.236 -2.581 0.645 29 2HB ALA 3 HB2 ALA 3 11.753 -2.944 -0.237 30 3HB ALA 3 HB3 ALA 3 11.769 -3.008 1.525 31 H SER 4 HN SER 4 11.322 0.962 2.225 32 HA SER 4 HA SER 4 9.032 -0.292 3.563 33 1HB SER 4 HB2 SER 4 9.410 1.773 5.137 34 2HB SER 4 HB1 SER 4 10.488 0.382 5.243 35 HG SER 4 HG SER 4 10.959 2.932 4.192 36 H LEU 5 HN LEU 5 8.804 0.850 0.912 37 HA LEU 5 HA LEU 5 6.814 2.926 1.517 38 1HB LEU 5 HB2 LEU 5 7.433 4.151 -0.493 39 2HB LEU 5 HB1 LEU 5 8.782 4.040 0.621 40 HG LEU 5 HG LEU 5 9.306 1.904 -0.947 41 1HD1 LEU 5 HD11 LEU 5 8.990 3.064 -3.311 42 2HD1 LEU 5 HD12 LEU 5 7.573 3.738 -2.506 43 3HD1 LEU 5 HD13 LEU 5 7.772 1.990 -2.624 44 1HD2 LEU 5 HD21 LEU 5 11.035 3.383 -0.562 45 2HD2 LEU 5 HD22 LEU 5 10.104 4.779 -1.106 46 3HD2 LEU 5 HD23 LEU 5 10.731 3.623 -2.282 47 H TRP 6 HN TRP 6 7.692 0.083 -0.187 48 HA TRP 6 HA TRP 6 5.441 0.253 -2.018 49 1HB TRP 6 HB2 TRP 6 6.363 -1.534 -3.171 50 2HB TRP 6 HB1 TRP 6 7.798 -0.758 -2.515 51 HD1 TRP 6 HD1 TRP 6 9.242 -2.125 -0.789 52 HE1 TRP 6 HE1 TRP 6 9.182 -4.567 0.021 53 HE3 TRP 6 HE3 TRP 6 4.680 -3.486 -2.650 54 HZ2 TRP 6 HZ2 TRP 6 7.431 -6.779 -0.111 55 HZ3 TRP 6 HZ3 TRP 6 3.884 -5.781 -2.263 56 HH2 TRP 6 HH2 TRP 6 5.234 -7.394 -1.022 57 H ASN 7 HN ASN 7 6.288 -1.251 0.992 58 HA ASN 7 HA ASN 7 4.523 -3.374 1.106 59 1HB ASN 7 HB2 ASN 7 4.583 -3.088 3.565 60 2HB ASN 7 HB1 ASN 7 6.184 -3.007 2.835 61 1HD2 ASN 7 HD21 ASN 7 7.306 -1.090 2.856 62 2HD2 ASN 7 HD22 ASN 7 6.815 0.273 3.796 63 H TRP 8 HN TRP 8 3.911 0.027 1.538 64 HA TRP 8 HA TRP 8 1.094 -0.521 2.152 65 1HB TRP 8 HB2 TRP 8 1.019 1.430 3.316 66 2HB TRP 8 HB1 TRP 8 2.750 1.140 3.439 67 HD1 TRP 8 HD1 TRP 8 4.361 2.726 2.019 68 HE1 TRP 8 HE1 TRP 8 3.971 5.023 0.911 69 HE3 TRP 8 HE3 TRP 8 -0.730 2.792 2.116 70 HZ2 TRP 8 HZ2 TRP 8 1.765 6.644 0.174 71 HZ3 TRP 8 HZ3 TRP 8 -1.910 4.726 1.195 72 HH2 TRP 8 HH2 TRP 8 -0.693 6.623 0.242 73 H PHE 9 HN PHE 9 3.176 0.596 -0.337 74 HA PHE 9 HA PHE 9 1.362 2.195 -1.796 75 1HB PHE 9 HB2 PHE 9 4.007 1.509 -2.064 76 2HB PHE 9 HB1 PHE 9 3.269 0.642 -3.405 77 HD1 PHE 9 HD1 PHE 9 2.661 1.762 -5.365 78 HD2 PHE 9 HD2 PHE 9 3.617 3.993 -1.869 79 HE1 PHE 9 HE1 PHE 9 2.647 3.835 -6.689 80 HE2 PHE 9 HE2 PHE 9 3.605 6.070 -3.186 81 HZ PHE 9 HZ PHE 9 3.118 5.994 -5.600 82 H ASN 10 HN ASN 10 1.641 -1.196 -1.339 83 HA ASN 10 HA ASN 10 -0.040 -1.813 -3.641 84 1HB ASN 10 HB2 ASN 10 1.439 -3.549 -3.551 85 2HB ASN 10 HB1 ASN 10 1.719 -3.352 -1.824 86 1HD2 ASN 10 HD21 ASN 10 0.417 -4.427 -0.365 87 2HD2 ASN 10 HD22 ASN 10 -0.645 -5.706 -0.833 88 H ILE 11 HN ILE 11 -0.275 -1.085 -0.365 89 HA ILE 11 HA ILE 11 -2.668 -2.554 0.226 90 HB ILE 11 HB ILE 11 -1.516 -0.184 1.702 91 1HG1 ILE 11 HG12 ILE 11 -1.001 -3.148 2.026 92 2HG1 ILE 11 HG11 ILE 11 0.167 -1.923 1.540 93 1HG2 ILE 11 HG21 ILE 11 -2.840 -2.059 3.379 94 2HG2 ILE 11 HG22 ILE 11 -3.914 -1.650 2.040 95 3HG2 ILE 11 HG23 ILE 11 -3.255 -0.374 3.064 96 1HD1 ILE 11 HD11 ILE 11 -0.483 -0.886 3.877 97 2HD1 ILE 11 HD12 ILE 11 0.728 -2.159 3.727 98 3HD1 ILE 11 HD13 ILE 11 -0.916 -2.560 4.225 99 H THR 12 HN THR 12 -1.894 0.539 -1.142 100 HA THR 12 HA THR 12 -4.313 1.898 -0.666 101 HB THR 12 HB THR 12 -3.443 2.819 -3.139 102 HG1 THR 12 HG1 THR 12 -1.239 1.925 -1.567 103 1HG2 THR 12 HG21 THR 12 -2.980 3.622 -0.297 104 2HG2 THR 12 HG22 THR 12 -3.927 4.424 -1.550 105 3HG2 THR 12 HG23 THR 12 -2.166 4.500 -1.592 106 H ASN 13 HN ASN 13 -3.799 -0.886 -2.410 107 HA ASN 13 HA ASN 13 -5.740 -0.368 -4.499 108 1HB ASN 13 HB2 ASN 13 -3.890 -2.596 -3.812 109 2HB ASN 13 HB1 ASN 13 -5.329 -2.994 -4.746 110 1HD2 ASN 13 HD21 ASN 13 -3.024 -0.294 -4.711 111 2HD2 ASN 13 HD22 ASN 13 -2.682 -0.343 -6.404 112 H TRP 14 HN TRP 14 -5.521 -2.482 -1.633 113 HA TRP 14 HA TRP 14 -8.349 -3.131 -1.930 114 1HB TRP 14 HB2 TRP 14 -7.793 -4.563 0.193 115 2HB TRP 14 HB1 TRP 14 -7.276 -5.098 -1.400 116 HD1 TRP 14 HD1 TRP 14 -4.595 -4.396 -1.993 117 HE1 TRP 14 HE1 TRP 14 -2.564 -4.554 -0.431 118 HE3 TRP 14 HE3 TRP 14 -7.035 -4.465 2.496 119 HZ2 TRP 14 HZ2 TRP 14 -2.057 -4.702 2.344 120 HZ3 TRP 14 HZ3 TRP 14 -5.703 -4.621 4.559 121 HH2 TRP 14 HH2 TRP 14 -3.265 -4.737 4.483 122 H LEU 15 HN LEU 15 -6.168 -1.564 0.383 123 HA LEU 15 HA LEU 15 -7.997 -1.082 2.419 124 1HB LEU 15 HB2 LEU 15 -6.370 0.169 3.354 125 2HB LEU 15 HB1 LEU 15 -5.390 -0.499 2.067 126 HG LEU 15 HG LEU 15 -6.179 1.642 0.767 127 1HD1 LEU 15 HD11 LEU 15 -6.143 2.813 3.511 128 2HD1 LEU 15 HD12 LEU 15 -7.654 2.192 2.842 129 3HD1 LEU 15 HD13 LEU 15 -6.784 3.483 2.010 130 1HD2 LEU 15 HD21 LEU 15 -4.192 2.829 1.642 131 2HD2 LEU 15 HD22 LEU 15 -3.873 1.141 1.247 132 3HD2 LEU 15 HD23 LEU 15 -4.081 1.628 2.929 133 H TRP 16 HN TRP 16 -7.509 0.531 -0.642 134 HA TRP 16 HA TRP 16 -9.119 2.808 -0.150 135 1HB TRP 16 HB2 TRP 16 -7.594 1.779 -2.298 136 2HB TRP 16 HB1 TRP 16 -9.232 1.981 -2.911 137 HD1 TRP 16 HD1 TRP 16 -9.556 4.254 -4.006 138 HE1 TRP 16 HE1 TRP 16 -8.626 6.631 -3.667 139 HE3 TRP 16 HE3 TRP 16 -6.467 3.357 -0.034 140 HZ2 TRP 16 HZ2 TRP 16 -6.819 7.949 -1.943 141 HZ3 TRP 16 HZ3 TRP 16 -5.172 5.228 0.900 142 HH2 TRP 16 HH2 TRP 16 -5.344 7.476 -0.036 143 H TYR 17 HN TYR 17 -9.745 -0.435 -1.314 144 HA TYR 17 HA TYR 17 -12.459 -0.035 -2.042 145 1HB TYR 17 HB2 TYR 17 -11.808 -1.977 -3.016 146 2HB TYR 17 HB1 TYR 17 -10.582 -2.291 -1.793 147 HD1 TYR 17 HD1 TYR 17 -14.198 -2.611 -2.545 148 HD2 TYR 17 HD2 TYR 17 -10.978 -3.829 -0.045 149 HE1 TYR 17 HE1 TYR 17 -15.617 -4.377 -1.586 150 HE2 TYR 17 HE2 TYR 17 -12.387 -5.597 0.921 151 HH TYR 17 HH TYR 17 -15.581 -6.302 -0.353 152 H ILE 18 HN ILE 18 -10.797 -0.735 0.930 153 HA ILE 18 HA ILE 18 -13.113 -1.558 2.405 154 HB ILE 18 HB ILE 18 -10.489 -0.537 3.502 155 1HG1 ILE 18 HG12 ILE 18 -11.226 -3.427 3.039 156 2HG1 ILE 18 HG11 ILE 18 -10.347 -2.481 1.842 157 1HG2 ILE 18 HG21 ILE 18 -11.501 -2.493 5.174 158 2HG2 ILE 18 HG22 ILE 18 -12.927 -1.574 4.688 159 3HG2 ILE 18 HG23 ILE 18 -11.562 -0.750 5.444 160 1HD1 ILE 18 HD11 ILE 18 -8.845 -2.007 4.023 161 2HD1 ILE 18 HD12 ILE 18 -8.557 -3.328 2.891 162 3HD1 ILE 18 HD13 ILE 18 -9.440 -3.626 4.388 163 H LYS 19 HN LYS 19 -11.549 1.458 1.672 164 HA LYS 19 HA LYS 19 -12.903 2.954 3.729 165 1HB LYS 19 HB2 LYS 19 -10.818 3.435 1.769 166 2HB LYS 19 HB1 LYS 19 -11.980 4.755 1.805 167 1HG LYS 19 HG2 LYS 19 -10.532 5.480 3.396 168 2HG LYS 19 HG1 LYS 19 -11.622 4.533 4.411 169 1HD LYS 19 HD2 LYS 19 -10.108 2.790 4.631 170 2HD LYS 19 HD1 LYS 19 -9.221 3.244 3.174 171 1HE LYS 19 HE2 LYS 19 -9.293 4.991 5.618 172 2HE LYS 19 HE1 LYS 19 -8.104 3.703 5.423 173 1HZ LYS 19 HZ1 LYS 19 -8.461 5.726 3.302 174 2HZ LYS 19 HZ2 LYS 19 -7.103 4.781 3.650 175 3HZ LYS 19 HZ3 LYS 19 -7.509 6.079 4.657 176 1HN NH2 20 HN1 LYS 19 -13.632 2.006 0.453 177 2HN NH2 20 HN2 LYS 19 -14.948 3.097 0.201 Start of MODEL 22 1 1H LYS 1 HT1 LYS 1 -16.655 0.263 3.303 2 2H LYS 1 HT2 LYS 1 -18.237 0.393 2.720 3 3H LYS 1 HT3 LYS 1 -17.280 1.778 2.884 4 HA LYS 1 HA LYS 1 -17.577 0.202 0.640 5 1HB LYS 1 HB2 LYS 1 -16.812 2.726 1.298 6 2HB LYS 1 HB1 LYS 1 -15.272 2.043 0.794 7 1HG LYS 1 HG2 LYS 1 -16.953 1.223 -1.202 8 2HG LYS 1 HG1 LYS 1 -17.590 2.818 -0.793 9 1HD LYS 1 HD2 LYS 1 -15.212 3.664 -0.958 10 2HD LYS 1 HD1 LYS 1 -14.800 2.102 -1.667 11 1HE LYS 1 HE2 LYS 1 -16.690 2.571 -3.330 12 2HE LYS 1 HE1 LYS 1 -16.620 4.233 -2.746 13 1HZ LYS 1 HZ1 LYS 1 -14.022 3.291 -3.358 14 2HZ LYS 1 HZ2 LYS 1 -14.854 4.613 -4.005 15 3HZ LYS 1 HZ3 LYS 1 -15.040 3.080 -4.693 16 H TRP 2 HN TRP 2 -15.475 -0.196 -0.784 17 HA TRP 2 HA TRP 2 -14.033 -2.309 0.591 18 1HB TRP 2 HB2 TRP 2 -13.121 -2.768 -1.725 19 2HB TRP 2 HB1 TRP 2 -14.866 -2.920 -1.557 20 HD1 TRP 2 HD1 TRP 2 -16.379 -1.284 -2.958 21 HE1 TRP 2 HE1 TRP 2 -15.882 0.405 -4.836 22 HE3 TRP 2 HE3 TRP 2 -11.288 -1.051 -2.524 23 HZ2 TRP 2 HZ2 TRP 2 -13.634 1.667 -5.982 24 HZ3 TRP 2 HZ3 TRP 2 -10.040 0.420 -4.051 25 HH2 TRP 2 HH2 TRP 2 -11.191 1.751 -5.744 26 H ALA 3 HN ALA 3 -13.562 0.735 0.831 27 HA ALA 3 HA ALA 3 -10.894 1.120 -0.150 28 1HB ALA 3 HB1 ALA 3 -11.254 3.275 0.304 29 2HB ALA 3 HB2 ALA 3 -11.754 2.934 1.961 30 3HB ALA 3 HB3 ALA 3 -12.917 2.794 0.643 31 H SER 4 HN SER 4 -11.434 -1.136 1.762 32 HA SER 4 HA SER 4 -9.702 -0.330 3.990 33 1HB SER 4 HB2 SER 4 -10.423 -2.777 4.738 34 2HB SER 4 HB1 SER 4 -11.473 -1.385 5.011 35 HG SER 4 HG SER 4 -12.411 -1.960 2.895 36 H LEU 5 HN LEU 5 -8.907 -0.996 1.160 37 HA LEU 5 HA LEU 5 -6.966 -3.100 1.844 38 1HB LEU 5 HB2 LEU 5 -6.999 -3.844 -0.472 39 2HB LEU 5 HB1 LEU 5 -8.593 -3.959 0.248 40 HG LEU 5 HG LEU 5 -8.811 -1.535 -0.898 41 1HD1 LEU 5 HD11 LEU 5 -7.805 -2.049 -3.272 42 2HD1 LEU 5 HD12 LEU 5 -6.636 -2.974 -2.329 43 3HD1 LEU 5 HD13 LEU 5 -6.844 -1.248 -2.029 44 1HD2 LEU 5 HD21 LEU 5 -10.128 -2.574 -2.562 45 2HD2 LEU 5 HD22 LEU 5 -10.228 -3.618 -1.143 46 3HD2 LEU 5 HD23 LEU 5 -9.180 -4.059 -2.491 47 H TRP 6 HN TRP 6 -7.586 -0.037 0.296 48 HA TRP 6 HA TRP 6 -5.045 0.275 -0.922 49 1HB TRP 6 HB2 TRP 6 -5.812 2.305 -1.629 50 2HB TRP 6 HB1 TRP 6 -7.357 1.591 -1.186 51 HD1 TRP 6 HD1 TRP 6 -8.571 2.549 1.003 52 HE1 TRP 6 HE1 TRP 6 -8.261 4.738 2.322 53 HE3 TRP 6 HE3 TRP 6 -4.043 3.996 -0.878 54 HZ2 TRP 6 HZ2 TRP 6 -6.347 6.804 2.538 55 HZ3 TRP 6 HZ3 TRP 6 -3.040 6.090 -0.063 56 HH2 TRP 6 HH2 TRP 6 -4.170 7.464 1.610 57 H ASN 7 HN ASN 7 -6.175 0.705 2.316 58 HA ASN 7 HA ASN 7 -4.387 2.581 3.311 59 1HB ASN 7 HB2 ASN 7 -4.776 0.436 5.211 60 2HB ASN 7 HB1 ASN 7 -5.366 2.093 5.266 61 1HD2 ASN 7 HD21 ASN 7 -6.224 -1.106 5.050 62 2HD2 ASN 7 HD22 ASN 7 -7.857 -0.913 4.522 63 H TRP 8 HN TRP 8 -3.847 -0.689 2.363 64 HA TRP 8 HA TRP 8 -1.051 -0.478 3.269 65 1HB TRP 8 HB2 TRP 8 -1.057 -2.596 4.107 66 2HB TRP 8 HB1 TRP 8 -2.770 -2.253 4.311 67 HD1 TRP 8 HD1 TRP 8 -4.479 -3.570 2.758 68 HE1 TRP 8 HE1 TRP 8 -4.212 -5.652 1.261 69 HE3 TRP 8 HE3 TRP 8 0.613 -3.769 2.565 70 HZ2 TRP 8 HZ2 TRP 8 -2.105 -7.176 0.145 71 HZ3 TRP 8 HZ3 TRP 8 1.680 -5.552 1.268 72 HH2 TRP 8 HH2 TRP 8 0.353 -7.228 0.081 73 H PHE 9 HN PHE 9 -3.269 -1.263 0.733 74 HA PHE 9 HA PHE 9 -1.476 -2.570 -1.018 75 1HB PHE 9 HB2 PHE 9 -4.085 -2.325 -1.119 76 2HB PHE 9 HB1 PHE 9 -3.724 -0.863 -2.032 77 HD1 PHE 9 HD1 PHE 9 -2.648 -4.438 -1.947 78 HD2 PHE 9 HD2 PHE 9 -3.695 -1.058 -4.310 79 HE1 PHE 9 HE1 PHE 9 -2.380 -5.786 -3.986 80 HE2 PHE 9 HE2 PHE 9 -3.430 -2.400 -6.355 81 HZ PHE 9 HZ PHE 9 -2.772 -4.768 -6.194 82 H ASN 10 HN ASN 10 -1.915 0.707 -0.103 83 HA ASN 10 HA ASN 10 -0.500 1.753 -2.411 84 1HB ASN 10 HB2 ASN 10 -1.677 3.593 -1.920 85 2HB ASN 10 HB1 ASN 10 -2.299 2.818 -0.468 86 1HD2 ASN 10 HD21 ASN 10 -0.857 2.907 1.449 87 2HD2 ASN 10 HD22 ASN 10 0.048 4.356 1.706 88 H ILE 11 HN ILE 11 0.191 0.530 0.660 89 HA ILE 11 HA ILE 11 2.584 2.020 1.171 90 HB ILE 11 HB ILE 11 1.841 -0.658 2.347 91 1HG1 ILE 11 HG12 ILE 11 1.055 2.126 3.237 92 2HG1 ILE 11 HG11 ILE 11 -0.031 0.860 2.671 93 1HG2 ILE 11 HG21 ILE 11 4.141 0.848 2.593 94 2HG2 ILE 11 HG22 ILE 11 3.602 -0.418 3.696 95 3HG2 ILE 11 HG23 ILE 11 3.215 1.269 4.033 96 1HD1 ILE 11 HD11 ILE 11 1.644 0.693 5.166 97 2HD1 ILE 11 HD12 ILE 11 0.431 -0.466 4.623 98 3HD1 ILE 11 HD13 ILE 11 -0.057 1.155 5.115 99 H THR 12 HN THR 12 1.787 -0.972 -0.458 100 HA THR 12 HA THR 12 4.387 -2.062 -0.605 101 HB THR 12 HB THR 12 3.317 -3.114 -2.800 102 HG1 THR 12 HG1 THR 12 1.155 -1.924 -1.401 103 1HG2 THR 12 HG21 THR 12 3.452 -4.818 -1.363 104 2HG2 THR 12 HG22 THR 12 1.834 -4.389 -0.806 105 3HG2 THR 12 HG23 THR 12 3.251 -3.742 0.020 106 H ASN 13 HN ASN 13 3.323 0.793 -1.851 107 HA ASN 13 HA ASN 13 4.800 0.648 -4.356 108 1HB ASN 13 HB2 ASN 13 2.703 2.340 -3.260 109 2HB ASN 13 HB1 ASN 13 3.995 3.289 -3.988 110 1HD2 ASN 13 HD21 ASN 13 2.217 0.297 -4.694 111 2HD2 ASN 13 HD22 ASN 13 1.924 0.664 -6.357 112 H TRP 14 HN TRP 14 4.920 2.442 -1.287 113 HA TRP 14 HA TRP 14 7.532 3.514 -2.035 114 1HB TRP 14 HB2 TRP 14 7.231 4.664 0.306 115 2HB TRP 14 HB1 TRP 14 6.367 5.268 -1.100 116 HD1 TRP 14 HD1 TRP 14 3.721 4.268 -1.291 117 HE1 TRP 14 HE1 TRP 14 2.014 4.009 0.609 118 HE3 TRP 14 HE3 TRP 14 6.930 4.273 2.683 119 HZ2 TRP 14 HZ2 TRP 14 2.021 3.843 3.428 120 HZ3 TRP 14 HZ3 TRP 14 5.999 4.064 4.951 121 HH2 TRP 14 HH2 TRP 14 3.594 3.853 5.314 122 H LEU 15 HN LEU 15 6.029 1.473 0.431 123 HA LEU 15 HA LEU 15 8.276 1.055 2.030 124 1HB LEU 15 HB2 LEU 15 6.984 -0.414 3.146 125 2HB LEU 15 HB1 LEU 15 5.708 0.226 2.134 126 HG LEU 15 HG LEU 15 6.442 -1.726 0.526 127 1HD1 LEU 15 HD11 LEU 15 8.333 -2.288 2.159 128 2HD1 LEU 15 HD12 LEU 15 7.348 -3.618 1.544 129 3HD1 LEU 15 HD13 LEU 15 7.067 -2.991 3.169 130 1HD2 LEU 15 HD21 LEU 15 4.241 -1.362 1.669 131 2HD2 LEU 15 HD22 LEU 15 4.853 -2.335 3.007 132 3HD2 LEU 15 HD23 LEU 15 4.674 -3.052 1.405 133 H TRP 16 HN TRP 16 7.249 -0.480 -0.963 134 HA TRP 16 HA TRP 16 9.149 -2.562 -1.013 135 1HB TRP 16 HB2 TRP 16 7.110 -1.577 -2.711 136 2HB TRP 16 HB1 TRP 16 8.589 -1.589 -3.665 137 HD1 TRP 16 HD1 TRP 16 8.870 -3.762 -4.953 138 HE1 TRP 16 HE1 TRP 16 8.239 -6.232 -4.595 139 HE3 TRP 16 HE3 TRP 16 6.610 -3.367 -0.385 140 HZ2 TRP 16 HZ2 TRP 16 6.950 -7.804 -2.634 141 HZ3 TRP 16 HZ3 TRP 16 5.702 -5.400 0.662 142 HH2 TRP 16 HH2 TRP 16 5.869 -7.572 -0.441 143 H TYR 17 HN TYR 17 9.254 0.810 -1.852 144 HA TYR 17 HA TYR 17 11.770 0.721 -3.215 145 1HB TYR 17 HB2 TYR 17 10.727 2.615 -3.912 146 2HB TYR 17 HB1 TYR 17 9.790 2.763 -2.431 147 HD1 TYR 17 HD1 TYR 17 13.082 3.475 -3.969 148 HD2 TYR 17 HD2 TYR 17 10.461 4.244 -0.706 149 HE1 TYR 17 HE1 TYR 17 14.529 5.330 -3.252 150 HE2 TYR 17 HE2 TYR 17 11.901 6.102 0.019 151 HH TYR 17 HH TYR 17 13.972 7.037 -0.235 152 H ILE 18 HN ILE 18 10.686 1.137 0.068 153 HA ILE 18 HA ILE 18 13.134 2.160 1.117 154 HB ILE 18 HB ILE 18 10.948 0.706 2.614 155 1HG1 ILE 18 HG12 ILE 18 11.228 3.695 2.294 156 2HG1 ILE 18 HG11 ILE 18 10.239 2.726 1.207 157 1HG2 ILE 18 HG21 ILE 18 12.140 1.087 4.449 158 2HG2 ILE 18 HG22 ILE 18 12.257 2.804 4.063 159 3HG2 ILE 18 HG23 ILE 18 13.457 1.676 3.434 160 1HD1 ILE 18 HD11 ILE 18 8.571 2.636 2.666 161 2HD1 ILE 18 HD12 ILE 18 9.427 3.889 3.565 162 3HD1 ILE 18 HD13 ILE 18 9.646 2.192 3.991 163 H LYS 19 HN LYS 19 11.574 -1.025 1.539 164 HA LYS 19 HA LYS 19 13.896 -2.241 2.619 165 1HB LYS 19 HB2 LYS 19 11.288 -3.286 1.555 166 2HB LYS 19 HB1 LYS 19 12.578 -4.393 2.005 167 1HG LYS 19 HG2 LYS 19 12.519 -2.920 4.223 168 2HG LYS 19 HG1 LYS 19 10.847 -2.700 3.703 169 1HD LYS 19 HD2 LYS 19 11.450 -5.438 3.388 170 2HD LYS 19 HD1 LYS 19 12.059 -4.958 4.973 171 1HE LYS 19 HE2 LYS 19 9.741 -3.799 5.212 172 2HE LYS 19 HE1 LYS 19 9.261 -4.896 3.915 173 1HZ LYS 19 HZ1 LYS 19 10.387 -5.686 6.555 174 2HZ LYS 19 HZ2 LYS 19 10.015 -6.761 5.302 175 3HZ LYS 19 HZ3 LYS 19 8.781 -5.880 6.053 176 1HN NH2 20 HN1 LYS 19 12.929 -2.476 -1.107 177 2HN NH2 20 HN2 LYS 19 13.174 -4.133 -0.685 Start of MODEL 23 1 1H LYS 1 HT1 LYS 1 16.368 0.709 -4.755 2 2H LYS 1 HT2 LYS 1 17.990 0.345 -4.442 3 3H LYS 1 HT3 LYS 1 17.435 1.934 -4.279 4 HA LYS 1 HA LYS 1 17.719 0.256 -2.238 5 1HB LYS 1 HB2 LYS 1 16.392 2.758 -2.819 6 2HB LYS 1 HB1 LYS 1 15.530 1.885 -1.560 7 1HG LYS 1 HG2 LYS 1 18.470 2.066 -1.295 8 2HG LYS 1 HG1 LYS 1 17.539 3.544 -1.043 9 1HD LYS 1 HD2 LYS 1 16.064 1.989 0.467 10 2HD LYS 1 HD1 LYS 1 17.522 0.996 0.512 11 1HE LYS 1 HE2 LYS 1 18.260 3.712 0.944 12 2HE LYS 1 HE1 LYS 1 16.919 3.320 2.020 13 1HZ LYS 1 HZ1 LYS 1 19.560 2.701 2.408 14 2HZ LYS 1 HZ2 LYS 1 18.855 1.232 1.957 15 3HZ LYS 1 HZ3 LYS 1 18.246 2.090 3.281 16 H TRP 2 HN TRP 2 15.586 0.001 -0.632 17 HA TRP 2 HA TRP 2 13.940 -2.002 -2.023 18 1HB TRP 2 HB2 TRP 2 13.568 -2.952 0.268 19 2HB TRP 2 HB1 TRP 2 15.243 -3.005 -0.271 20 HD1 TRP 2 HD1 TRP 2 16.988 -1.387 0.974 21 HE1 TRP 2 HE1 TRP 2 16.902 -0.224 3.268 22 HE3 TRP 2 HE3 TRP 2 11.985 -1.844 1.934 23 HZ2 TRP 2 HZ2 TRP 2 14.973 0.415 5.224 24 HZ3 TRP 2 HZ3 TRP 2 11.101 -0.929 4.041 25 HH2 TRP 2 HH2 TRP 2 12.566 0.177 5.651 26 H ALA 3 HN ALA 3 13.570 1.023 -1.598 27 HA ALA 3 HA ALA 3 11.227 1.218 0.056 28 1HB ALA 3 HB1 ALA 3 11.140 3.547 -1.078 29 2HB ALA 3 HB2 ALA 3 12.736 3.117 -1.692 30 3HB ALA 3 HB3 ALA 3 12.448 3.182 0.047 31 H SER 4 HN SER 4 11.272 -0.589 -2.370 32 HA SER 4 HA SER 4 9.010 0.580 -3.840 33 1HB SER 4 HB2 SER 4 10.374 -1.883 -4.820 34 2HB SER 4 HB1 SER 4 9.675 -0.545 -5.731 35 HG SER 4 HG SER 4 11.578 0.318 -5.794 36 H LEU 5 HN LEU 5 8.898 -0.737 -1.201 37 HA LEU 5 HA LEU 5 6.963 -2.832 -1.911 38 1HB LEU 5 HB2 LEU 5 7.652 -4.155 0.009 39 2HB LEU 5 HB1 LEU 5 8.990 -3.916 -1.098 40 HG LEU 5 HG LEU 5 9.454 -1.872 0.585 41 1HD1 LEU 5 HD11 LEU 5 9.029 -3.542 2.801 42 2HD1 LEU 5 HD12 LEU 5 7.502 -3.488 1.920 43 3HD1 LEU 5 HD13 LEU 5 8.266 -1.990 2.453 44 1HD2 LEU 5 HD21 LEU 5 11.172 -3.378 0.062 45 2HD2 LEU 5 HD22 LEU 5 10.295 -4.750 0.739 46 3HD2 LEU 5 HD23 LEU 5 10.971 -3.522 1.809 47 H TRP 6 HN TRP 6 7.609 0.045 -0.301 48 HA TRP 6 HA TRP 6 5.473 -0.321 1.657 49 1HB TRP 6 HB2 TRP 6 6.314 1.505 2.811 50 2HB TRP 6 HB1 TRP 6 7.777 0.835 2.100 51 HD1 TRP 6 HD1 TRP 6 9.070 2.314 0.342 52 HE1 TRP 6 HE1 TRP 6 8.828 4.760 -0.424 53 HE3 TRP 6 HE3 TRP 6 4.499 3.358 2.381 54 HZ2 TRP 6 HZ2 TRP 6 6.947 6.854 -0.193 55 HZ3 TRP 6 HZ3 TRP 6 3.548 5.604 2.061 56 HH2 TRP 6 HH2 TRP 6 4.749 7.315 0.802 57 H ASN 7 HN ASN 7 6.131 1.206 -1.369 58 HA ASN 7 HA ASN 7 4.254 3.240 -1.444 59 1HB ASN 7 HB2 ASN 7 4.263 2.916 -3.906 60 2HB ASN 7 HB1 ASN 7 5.881 2.969 -3.214 61 1HD2 ASN 7 HD21 ASN 7 7.094 1.067 -3.109 62 2HD2 ASN 7 HD22 ASN 7 6.699 -0.317 -4.064 63 H TRP 8 HN TRP 8 3.792 -0.178 -1.593 64 HA TRP 8 HA TRP 8 0.969 0.172 -2.330 65 1HB TRP 8 HB2 TRP 8 0.999 -1.904 -3.278 66 2HB TRP 8 HB1 TRP 8 2.701 -1.493 -3.463 67 HD1 TRP 8 HD1 TRP 8 4.451 -2.797 -1.920 68 HE1 TRP 8 HE1 TRP 8 4.251 -4.996 -0.581 69 HE3 TRP 8 HE3 TRP 8 -0.616 -3.277 -1.933 70 HZ2 TRP 8 HZ2 TRP 8 2.192 -6.707 0.344 71 HZ3 TRP 8 HZ3 TRP 8 -1.630 -5.195 -0.810 72 HH2 TRP 8 HH2 TRP 8 -0.261 -6.888 0.308 73 H PHE 9 HN PHE 9 3.053 -0.720 0.283 74 HA PHE 9 HA PHE 9 1.194 -2.205 1.812 75 1HB PHE 9 HB2 PHE 9 3.827 -1.009 2.228 76 2HB PHE 9 HB1 PHE 9 2.822 -0.956 3.670 77 HD1 PHE 9 HD1 PHE 9 5.425 -2.604 2.783 78 HD2 PHE 9 HD2 PHE 9 1.298 -3.504 3.309 79 HE1 PHE 9 HE1 PHE 9 6.001 -4.947 3.261 80 HE2 PHE 9 HE2 PHE 9 1.867 -5.849 3.787 81 HZ PHE 9 HZ PHE 9 4.221 -6.573 3.763 82 H ASN 10 HN ASN 10 1.580 1.159 1.181 83 HA ASN 10 HA ASN 10 -0.107 1.953 3.416 84 1HB ASN 10 HB2 ASN 10 0.370 4.216 2.789 85 2HB ASN 10 HB1 ASN 10 1.882 3.320 2.688 86 1HD2 ASN 10 HD21 ASN 10 -0.659 4.871 0.892 87 2HD2 ASN 10 HD22 ASN 10 0.178 4.941 -0.618 88 H ILE 11 HN ILE 11 -0.480 0.854 0.289 89 HA ILE 11 HA ILE 11 -2.833 2.396 -0.381 90 HB ILE 11 HB ILE 11 -1.807 -0.091 -1.751 91 1HG1 ILE 11 HG12 ILE 11 -1.143 2.819 -2.258 92 2HG1 ILE 11 HG11 ILE 11 -0.029 1.568 -1.714 93 1HG2 ILE 11 HG21 ILE 11 -3.290 0.318 -3.425 94 2HG2 ILE 11 HG22 ILE 11 -3.272 2.062 -3.167 95 3HG2 ILE 11 HG23 ILE 11 -4.199 1.020 -2.087 96 1HD1 ILE 11 HD11 ILE 11 0.196 2.152 -4.107 97 2HD1 ILE 11 HD12 ILE 11 -1.437 1.542 -4.373 98 3HD1 ILE 11 HD13 ILE 11 -0.166 0.449 -3.825 99 H THR 12 HN THR 12 -2.065 -0.648 1.104 100 HA THR 12 HA THR 12 -4.568 -1.928 0.794 101 HB THR 12 HB THR 12 -3.718 -3.058 3.054 102 HG1 THR 12 HG1 THR 12 -1.792 -2.405 3.613 103 1HG2 THR 12 HG21 THR 12 -3.907 -4.266 0.983 104 2HG2 THR 12 HG22 THR 12 -2.303 -4.568 1.652 105 3HG2 THR 12 HG23 THR 12 -2.502 -3.433 0.317 106 H ASN 13 HN ASN 13 -3.927 0.892 2.330 107 HA ASN 13 HA ASN 13 -5.705 0.465 4.599 108 1HB ASN 13 HB2 ASN 13 -4.284 3.005 3.779 109 2HB ASN 13 HB1 ASN 13 -5.033 2.663 5.336 110 1HD2 ASN 13 HD21 ASN 13 -2.223 3.293 4.388 111 2HD2 ASN 13 HD22 ASN 13 -1.248 2.086 5.148 112 H TRP 14 HN TRP 14 -5.523 2.500 1.681 113 HA TRP 14 HA TRP 14 -8.284 3.341 2.123 114 1HB TRP 14 HB2 TRP 14 -7.764 4.711 -0.041 115 2HB TRP 14 HB1 TRP 14 -7.110 5.228 1.507 116 HD1 TRP 14 HD1 TRP 14 -4.446 4.380 1.936 117 HE1 TRP 14 HE1 TRP 14 -2.518 4.375 0.244 118 HE3 TRP 14 HE3 TRP 14 -7.168 4.509 -2.386 119 HZ2 TRP 14 HZ2 TRP 14 -2.187 4.430 -2.559 120 HZ3 TRP 14 HZ3 TRP 14 -5.967 4.534 -4.533 121 HH2 TRP 14 HH2 TRP 14 -3.527 4.496 -4.615 122 H LEU 15 HN LEU 15 -6.330 1.536 -0.200 123 HA LEU 15 HA LEU 15 -8.330 1.156 -2.131 124 1HB LEU 15 HB2 LEU 15 -6.825 -0.149 -3.191 125 2HB LEU 15 HB1 LEU 15 -5.719 0.508 -2.003 126 HG LEU 15 HG LEU 15 -6.436 -1.597 -0.611 127 1HD1 LEU 15 HD11 LEU 15 -6.596 -2.948 -3.228 128 2HD1 LEU 15 HD12 LEU 15 -8.038 -2.071 -2.710 129 3HD1 LEU 15 HD13 LEU 15 -7.366 -3.347 -1.692 130 1HD2 LEU 15 HD21 LEU 15 -4.187 -1.394 -1.125 131 2HD2 LEU 15 HD22 LEU 15 -4.479 -1.399 -2.863 132 3HD2 LEU 15 HD23 LEU 15 -4.630 -2.894 -1.940 133 H TRP 16 HN TRP 16 -7.612 -0.479 0.880 134 HA TRP 16 HA TRP 16 -9.350 -2.691 0.530 135 1HB TRP 16 HB2 TRP 16 -7.580 -1.746 2.528 136 2HB TRP 16 HB1 TRP 16 -9.155 -1.917 3.295 137 HD1 TRP 16 HD1 TRP 16 -9.499 -4.215 4.327 138 HE1 TRP 16 HE1 TRP 16 -8.659 -6.605 3.863 139 HE3 TRP 16 HE3 TRP 16 -6.639 -3.280 0.199 140 HZ2 TRP 16 HZ2 TRP 16 -6.999 -7.917 1.994 141 HZ3 TRP 16 HZ3 TRP 16 -5.454 -5.154 -0.867 142 HH2 TRP 16 HH2 TRP 16 -5.631 -7.425 0.014 143 H TYR 17 HN TYR 17 -9.796 0.616 1.318 144 HA TYR 17 HA TYR 17 -12.431 0.300 2.458 145 1HB TYR 17 HB2 TYR 17 -11.595 2.194 3.393 146 2HB TYR 17 HB1 TYR 17 -10.492 2.487 2.055 147 HD1 TYR 17 HD1 TYR 17 -11.051 4.020 0.318 148 HD2 TYR 17 HD2 TYR 17 -13.959 2.972 3.243 149 HE1 TYR 17 HE1 TYR 17 -12.490 5.855 -0.462 150 HE2 TYR 17 HE2 TYR 17 -15.405 4.803 2.468 151 HH TYR 17 HH TYR 17 -15.513 6.119 -0.069 152 H ILE 18 HN ILE 18 -10.992 0.828 -0.639 153 HA ILE 18 HA ILE 18 -13.373 1.810 -1.920 154 HB ILE 18 HB ILE 18 -10.901 0.666 -3.226 155 1HG1 ILE 18 HG12 ILE 18 -11.443 3.595 -2.783 156 2HG1 ILE 18 HG11 ILE 18 -10.599 2.636 -1.571 157 1HG2 ILE 18 HG21 ILE 18 -12.030 2.711 -4.767 158 2HG2 ILE 18 HG22 ILE 18 -13.384 1.720 -4.225 159 3HG2 ILE 18 HG23 ILE 18 -12.047 0.980 -5.105 160 1HD1 ILE 18 HD11 ILE 18 -8.963 3.723 -2.892 161 2HD1 ILE 18 HD12 ILE 18 -9.735 3.205 -4.391 162 3HD1 ILE 18 HD13 ILE 18 -8.949 2.020 -3.348 163 H LYS 19 HN LYS 19 -11.484 -1.198 -2.281 164 HA LYS 19 HA LYS 19 -13.377 -2.559 -3.833 165 1HB LYS 19 HB2 LYS 19 -10.875 -3.160 -2.524 166 2HB LYS 19 HB1 LYS 19 -12.000 -4.498 -2.338 167 1HG LYS 19 HG2 LYS 19 -12.354 -4.416 -4.822 168 2HG LYS 19 HG1 LYS 19 -11.016 -3.267 -4.898 169 1HD LYS 19 HD2 LYS 19 -10.064 -5.375 -3.343 170 2HD LYS 19 HD1 LYS 19 -10.962 -6.146 -4.652 171 1HE LYS 19 HE2 LYS 19 -9.253 -5.784 -6.020 172 2HE LYS 19 HE1 LYS 19 -9.458 -4.046 -5.795 173 1HZ LYS 19 HZ1 LYS 19 -8.083 -4.352 -3.703 174 2HZ LYS 19 HZ2 LYS 19 -7.256 -4.501 -5.171 175 3HZ LYS 19 HZ3 LYS 19 -7.681 -5.886 -4.296 176 1HN NH2 20 HN1 LYS 19 -13.271 -2.431 -0.144 177 2HN NH2 20 HN2 LYS 19 -13.822 -4.068 -0.113 Start of MODEL 24 1 1H LYS 1 HT1 LYS 1 -15.929 -1.647 5.737 2 2H LYS 1 HT2 LYS 1 -17.215 -0.584 5.463 3 3H LYS 1 HT3 LYS 1 -15.631 -0.097 5.125 4 HA LYS 1 HA LYS 1 -17.046 -2.306 3.749 5 1HB LYS 1 HB2 LYS 1 -17.063 -0.655 1.831 6 2HB LYS 1 HB1 LYS 1 -18.141 -0.275 3.165 7 1HG LYS 1 HG2 LYS 1 -16.930 1.549 3.810 8 2HG LYS 1 HG1 LYS 1 -15.415 0.907 3.171 9 1HD LYS 1 HD2 LYS 1 -15.735 2.321 1.464 10 2HD LYS 1 HD1 LYS 1 -16.954 1.170 0.914 11 1HE LYS 1 HE2 LYS 1 -17.795 3.487 0.986 12 2HE LYS 1 HE1 LYS 1 -18.690 2.405 2.052 13 1HZ LYS 1 HZ1 LYS 1 -18.138 3.626 3.804 14 2HZ LYS 1 HZ2 LYS 1 -17.524 4.789 2.741 15 3HZ LYS 1 HZ3 LYS 1 -16.494 3.619 3.399 16 H TRP 2 HN TRP 2 -15.855 -1.985 1.313 17 HA TRP 2 HA TRP 2 -13.278 -3.135 1.767 18 1HB TRP 2 HB2 TRP 2 -13.175 -3.358 -0.664 19 2HB TRP 2 HB1 TRP 2 -14.744 -3.886 -0.065 20 HD1 TRP 2 HD1 TRP 2 -16.846 -2.192 -0.524 21 HE1 TRP 2 HE1 TRP 2 -17.225 -0.498 -2.424 22 HE3 TRP 2 HE3 TRP 2 -12.037 -1.768 -2.205 23 HZ2 TRP 2 HZ2 TRP 2 -15.685 0.842 -4.377 24 HZ3 TRP 2 HZ3 TRP 2 -11.574 -0.260 -4.092 25 HH2 TRP 2 HH2 TRP 2 -13.360 1.017 -5.155 26 H ALA 3 HN ALA 3 -13.967 -0.130 2.267 27 HA ALA 3 HA ALA 3 -12.130 1.262 0.551 28 1HB ALA 3 HB1 ALA 3 -12.586 2.978 2.612 29 2HB ALA 3 HB2 ALA 3 -14.029 1.966 2.669 30 3HB ALA 3 HB3 ALA 3 -13.610 2.823 1.185 31 H SER 4 HN SER 4 -11.067 -0.982 2.136 32 HA SER 4 HA SER 4 -8.839 0.465 3.356 33 1HB SER 4 HB2 SER 4 -10.331 -1.792 4.715 34 2HB SER 4 HB1 SER 4 -8.826 -1.078 5.293 35 HG SER 4 HG SER 4 -10.305 0.062 6.361 36 H LEU 5 HN LEU 5 -8.552 -0.514 0.921 37 HA LEU 5 HA LEU 5 -6.762 -2.778 1.335 38 1HB LEU 5 HB2 LEU 5 -7.622 -4.071 -0.481 39 2HB LEU 5 HB1 LEU 5 -8.940 -3.727 0.622 40 HG LEU 5 HG LEU 5 -9.326 -1.705 -1.077 41 1HD1 LEU 5 HD11 LEU 5 -7.271 -2.952 -2.355 42 2HD1 LEU 5 HD12 LEU 5 -8.475 -1.929 -3.139 43 3HD1 LEU 5 HD13 LEU 5 -8.672 -3.681 -3.139 44 1HD2 LEU 5 HD21 LEU 5 -10.811 -3.387 -2.369 45 2HD2 LEU 5 HD22 LEU 5 -11.115 -3.113 -0.653 46 3HD2 LEU 5 HD23 LEU 5 -10.238 -4.552 -1.175 47 H TRP 6 HN TRP 6 -7.608 0.120 -0.234 48 HA TRP 6 HA TRP 6 -5.523 -0.182 -2.257 49 1HB TRP 6 HB2 TRP 6 -6.467 1.620 -3.396 50 2HB TRP 6 HB1 TRP 6 -7.874 0.838 -2.686 51 HD1 TRP 6 HD1 TRP 6 -9.339 2.249 -1.054 52 HE1 TRP 6 HE1 TRP 6 -9.264 4.687 -0.231 53 HE3 TRP 6 HE3 TRP 6 -4.700 3.549 -2.772 54 HZ2 TRP 6 HZ2 TRP 6 -7.476 6.870 -0.299 55 HZ3 TRP 6 HZ3 TRP 6 -3.880 5.830 -2.349 56 HH2 TRP 6 HH2 TRP 6 -5.243 7.456 -1.139 57 H ASN 7 HN ASN 7 -6.246 1.552 0.683 58 HA ASN 7 HA ASN 7 -4.341 3.562 0.607 59 1HB ASN 7 HB2 ASN 7 -4.959 2.085 3.147 60 2HB ASN 7 HB1 ASN 7 -4.667 3.806 2.915 61 1HD2 ASN 7 HD21 ASN 7 -6.984 1.289 2.933 62 2HD2 ASN 7 HD22 ASN 7 -8.375 2.262 2.611 63 H TRP 8 HN TRP 8 -3.911 0.173 0.995 64 HA TRP 8 HA TRP 8 -1.126 0.557 1.843 65 1HB TRP 8 HB2 TRP 8 -1.232 -1.416 2.948 66 2HB TRP 8 HB1 TRP 8 -2.965 -1.126 2.885 67 HD1 TRP 8 HD1 TRP 8 -4.411 -2.679 1.293 68 HE1 TRP 8 HE1 TRP 8 -3.900 -4.915 0.116 69 HE3 TRP 8 HE3 TRP 8 0.660 -2.700 1.787 70 HZ2 TRP 8 HZ2 TRP 8 -1.632 -6.479 -0.516 71 HZ3 TRP 8 HZ3 TRP 8 1.933 -4.589 0.874 72 HH2 TRP 8 HH2 TRP 8 0.812 -6.444 -0.256 73 H PHE 9 HN PHE 9 -3.108 -0.412 -0.795 74 HA PHE 9 HA PHE 9 -1.303 -2.005 -2.239 75 1HB PHE 9 HB2 PHE 9 -3.881 -1.111 -2.608 76 2HB PHE 9 HB1 PHE 9 -3.002 -0.270 -3.880 77 HD1 PHE 9 HD1 PHE 9 -2.203 -1.422 -5.787 78 HD2 PHE 9 HD2 PHE 9 -3.867 -3.582 -2.521 79 HE1 PHE 9 HE1 PHE 9 -2.274 -3.453 -7.173 80 HE2 PHE 9 HE2 PHE 9 -3.943 -5.618 -3.899 81 HZ PHE 9 HZ PHE 9 -3.144 -5.556 -6.229 82 H ASN 10 HN ASN 10 -1.468 1.403 -1.707 83 HA ASN 10 HA ASN 10 0.416 1.974 -3.861 84 1HB ASN 10 HB2 ASN 10 0.103 4.344 -3.187 85 2HB ASN 10 HB1 ASN 10 -1.415 3.548 -3.593 86 1HD2 ASN 10 HD21 ASN 10 0.626 4.602 -0.935 87 2HD2 ASN 10 HD22 ASN 10 -0.646 4.752 0.225 88 H ILE 11 HN ILE 11 0.482 1.052 -0.657 89 HA ILE 11 HA ILE 11 2.829 2.541 0.125 90 HB ILE 11 HB ILE 11 1.606 0.152 1.510 91 1HG1 ILE 11 HG12 ILE 11 1.047 3.108 1.844 92 2HG1 ILE 11 HG11 ILE 11 -0.084 1.882 1.277 93 1HG2 ILE 11 HG21 ILE 11 3.054 0.488 3.201 94 2HG2 ILE 11 HG22 ILE 11 2.985 2.244 3.046 95 3HG2 ILE 11 HG23 ILE 11 4.018 1.303 1.969 96 1HD1 ILE 11 HD11 ILE 11 -0.759 1.596 3.360 97 2HD1 ILE 11 HD12 ILE 11 0.450 2.742 3.937 98 3HD1 ILE 11 HD13 ILE 11 0.854 1.031 3.794 99 H THR 12 HN THR 12 2.093 -0.569 -1.265 100 HA THR 12 HA THR 12 4.531 -1.876 -0.703 101 HB THR 12 HB THR 12 3.670 -2.855 -3.181 102 HG1 THR 12 HG1 THR 12 1.758 -1.397 -2.532 103 1HG2 THR 12 HG21 THR 12 4.233 -4.483 -1.679 104 2HG2 THR 12 HG22 THR 12 2.478 -4.544 -1.509 105 3HG2 THR 12 HG23 THR 12 3.449 -3.662 -0.329 106 H ASN 13 HN ASN 13 4.002 0.851 -2.512 107 HA ASN 13 HA ASN 13 5.965 0.312 -4.577 108 1HB ASN 13 HB2 ASN 13 4.114 2.563 -3.929 109 2HB ASN 13 HB1 ASN 13 5.529 2.906 -4.918 110 1HD2 ASN 13 HD21 ASN 13 2.627 0.948 -4.678 111 2HD2 ASN 13 HD22 ASN 13 2.458 0.657 -6.373 112 H TRP 14 HN TRP 14 5.696 2.401 -1.706 113 HA TRP 14 HA TRP 14 8.525 3.094 -1.988 114 1HB TRP 14 HB2 TRP 14 7.921 4.596 0.066 115 2HB TRP 14 HB1 TRP 14 7.418 5.072 -1.551 116 HD1 TRP 14 HD1 TRP 14 4.757 4.331 -2.154 117 HE1 TRP 14 HE1 TRP 14 2.703 4.504 -0.624 118 HE3 TRP 14 HE3 TRP 14 7.134 4.541 2.361 119 HZ2 TRP 14 HZ2 TRP 14 2.159 4.712 2.141 120 HZ3 TRP 14 HZ3 TRP 14 5.775 4.730 4.403 121 HH2 TRP 14 HH2 TRP 14 3.337 4.814 4.293 122 H LEU 15 HN LEU 15 6.291 1.547 0.274 123 HA LEU 15 HA LEU 15 8.057 1.157 2.392 124 1HB LEU 15 HB2 LEU 15 6.415 -0.086 3.312 125 2HB LEU 15 HB1 LEU 15 5.466 0.536 1.980 126 HG LEU 15 HG LEU 15 6.316 -1.629 0.761 127 1HD1 LEU 15 HD11 LEU 15 7.659 -2.049 3.031 128 2HD1 LEU 15 HD12 LEU 15 7.047 -3.363 2.023 129 3HD1 LEU 15 HD13 LEU 15 6.143 -2.851 3.449 130 1HD2 LEU 15 HD21 LEU 15 4.313 -2.805 1.575 131 2HD2 LEU 15 HD22 LEU 15 3.988 -1.115 1.191 132 3HD2 LEU 15 HD23 LEU 15 4.163 -1.619 2.871 133 H TRP 16 HN TRP 16 7.701 -0.509 -0.653 134 HA TRP 16 HA TRP 16 9.295 -2.774 -0.073 135 1HB TRP 16 HB2 TRP 16 7.855 -1.806 -2.281 136 2HB TRP 16 HB1 TRP 16 9.525 -1.898 -2.830 137 HD1 TRP 16 HD1 TRP 16 10.004 -4.117 -3.971 138 HE1 TRP 16 HE1 TRP 16 9.219 -6.554 -3.701 139 HE3 TRP 16 HE3 TRP 16 6.767 -3.499 -0.063 140 HZ2 TRP 16 HZ2 TRP 16 7.457 -8.019 -2.051 141 HZ3 TRP 16 HZ3 TRP 16 5.570 -5.468 0.801 142 HH2 TRP 16 HH2 TRP 16 5.909 -7.680 -0.174 143 H TYR 17 HN TYR 17 9.960 0.474 -1.178 144 HA TYR 17 HA TYR 17 12.702 0.123 -1.795 145 1HB TYR 17 HB2 TYR 17 11.984 2.080 -2.732 146 2HB TYR 17 HB1 TYR 17 10.817 2.387 -1.452 147 HD1 TYR 17 HD1 TYR 17 14.378 2.698 -2.396 148 HD2 TYR 17 HD2 TYR 17 11.350 3.815 0.376 149 HE1 TYR 17 HE1 TYR 17 15.881 4.398 -1.448 150 HE2 TYR 17 HE2 TYR 17 12.844 5.518 1.331 151 HH TYR 17 HH TYR 17 14.959 6.292 1.387 152 H ILE 18 HN ILE 18 10.918 0.586 1.128 153 HA ILE 18 HA ILE 18 13.269 1.262 2.702 154 HB ILE 18 HB ILE 18 10.474 0.705 3.702 155 1HG1 ILE 18 HG12 ILE 18 11.483 3.489 3.371 156 2HG1 ILE 18 HG11 ILE 18 10.958 2.641 1.920 157 1HG2 ILE 18 HG21 ILE 18 12.825 1.014 5.086 158 2HG2 ILE 18 HG22 ILE 18 11.207 1.277 5.735 159 3HG2 ILE 18 HG23 ILE 18 12.140 2.638 5.115 160 1HD1 ILE 18 HD11 ILE 18 8.964 2.213 3.846 161 2HD1 ILE 18 HD12 ILE 18 8.881 3.216 2.398 162 3HD1 ILE 18 HD13 ILE 18 9.391 3.921 3.932 163 H LYS 19 HN LYS 19 11.321 -1.492 1.903 164 HA LYS 19 HA LYS 19 12.608 -3.103 3.988 165 1HB LYS 19 HB2 LYS 19 9.994 -3.062 2.942 166 2HB LYS 19 HB1 LYS 19 10.713 -4.565 2.383 167 1HG LYS 19 HG2 LYS 19 10.314 -5.468 4.358 168 2HG LYS 19 HG1 LYS 19 11.394 -4.290 5.106 169 1HD LYS 19 HD2 LYS 19 9.669 -3.288 6.089 170 2HD LYS 19 HD1 LYS 19 8.889 -3.039 4.526 171 1HE LYS 19 HE2 LYS 19 7.295 -4.352 5.445 172 2HE LYS 19 HE1 LYS 19 8.356 -5.640 4.872 173 1HZ LYS 19 HZ1 LYS 19 8.224 -4.528 7.627 174 2HZ LYS 19 HZ2 LYS 19 9.409 -5.618 7.109 175 3HZ LYS 19 HZ3 LYS 19 7.784 -6.087 7.135 176 1HN NH2 20 HN1 LYS 19 13.564 -3.070 0.282 177 2HN NH2 20 HN2 LYS 19 14.627 -2.758 1.608 Start of MODEL 25 1 1H LYS 1 HT1 LYS 1 17.671 -0.390 -4.100 2 2H LYS 1 HT2 LYS 1 16.120 -0.962 -4.460 3 3H LYS 1 HT3 LYS 1 17.221 -1.958 -3.651 4 HA LYS 1 HA LYS 1 17.145 -0.653 -1.702 5 1HB LYS 1 HB2 LYS 1 16.369 1.343 -3.594 6 2HB LYS 1 HB1 LYS 1 15.140 1.263 -2.339 7 1HG LYS 1 HG2 LYS 1 17.953 1.300 -1.440 8 2HG LYS 1 HG1 LYS 1 17.319 2.786 -2.152 9 1HD LYS 1 HD2 LYS 1 15.855 3.141 -0.445 10 2HD LYS 1 HD1 LYS 1 15.624 1.417 -0.142 11 1HE LYS 1 HE2 LYS 1 16.838 2.693 1.662 12 2HE LYS 1 HE1 LYS 1 17.661 1.259 1.050 13 1HZ LYS 1 HZ1 LYS 1 18.284 3.786 -0.262 14 2HZ LYS 1 HZ2 LYS 1 19.295 2.483 0.112 15 3HZ LYS 1 HZ3 LYS 1 18.866 3.591 1.315 16 H TRP 2 HN TRP 2 15.666 -1.148 -0.124 17 HA TRP 2 HA TRP 2 13.422 -2.769 -0.959 18 1HB TRP 2 HB2 TRP 2 13.242 -3.434 1.332 19 2HB TRP 2 HB1 TRP 2 14.956 -3.400 0.935 20 HD1 TRP 2 HD1 TRP 2 16.392 -1.311 1.964 21 HE1 TRP 2 HE1 TRP 2 16.023 0.053 4.115 22 HE3 TRP 2 HE3 TRP 2 11.505 -2.510 2.860 23 HZ2 TRP 2 HZ2 TRP 2 13.936 0.550 5.948 24 HZ3 TRP 2 HZ3 TRP 2 10.395 -1.549 4.833 25 HH2 TRP 2 HH2 TRP 2 11.588 -0.049 6.346 26 H ALA 3 HN ALA 3 13.784 0.422 -0.760 27 HA ALA 3 HA ALA 3 11.431 1.137 0.741 28 1HB ALA 3 HB1 ALA 3 13.231 2.756 -1.056 29 2HB ALA 3 HB2 ALA 3 13.260 2.692 0.706 30 3HB ALA 3 HB3 ALA 3 11.887 3.421 -0.126 31 H SER 4 HN SER 4 11.599 -0.508 -1.963 32 HA SER 4 HA SER 4 9.510 0.991 -3.383 33 1HB SER 4 HB2 SER 4 11.598 -0.956 -4.251 34 2HB SER 4 HB1 SER 4 10.083 -0.908 -5.152 35 HG SER 4 HG SER 4 11.273 0.600 -6.138 36 H LEU 5 HN LEU 5 9.118 -0.646 -0.947 37 HA LEU 5 HA LEU 5 7.181 -2.554 -2.075 38 1HB LEU 5 HB2 LEU 5 7.557 -4.061 -0.245 39 2HB LEU 5 HB1 LEU 5 9.088 -3.713 -1.020 40 HG LEU 5 HG LEU 5 9.249 -1.896 0.913 41 1HD1 LEU 5 HD11 LEU 5 7.796 -2.085 2.579 42 2HD1 LEU 5 HD12 LEU 5 8.139 -3.808 2.739 43 3HD1 LEU 5 HD13 LEU 5 6.898 -3.257 1.614 44 1HD2 LEU 5 HD21 LEU 5 11.006 -3.320 0.949 45 2HD2 LEU 5 HD22 LEU 5 9.993 -4.750 0.748 46 3HD2 LEU 5 HD23 LEU 5 10.138 -3.988 2.332 47 H TRP 6 HN TRP 6 7.704 0.148 -0.095 48 HA TRP 6 HA TRP 6 5.277 -0.264 1.459 49 1HB TRP 6 HB2 TRP 6 5.988 1.417 2.869 50 2HB TRP 6 HB1 TRP 6 7.530 0.801 2.290 51 HD1 TRP 6 HD1 TRP 6 9.045 2.437 0.892 52 HE1 TRP 6 HE1 TRP 6 8.896 4.946 0.338 53 HE3 TRP 6 HE3 TRP 6 4.223 3.306 2.350 54 HZ2 TRP 6 HZ2 TRP 6 6.986 7.022 0.502 55 HZ3 TRP 6 HZ3 TRP 6 3.310 5.578 2.118 56 HH2 TRP 6 HH2 TRP 6 4.666 7.398 1.215 57 H ASN 7 HN ASN 7 6.417 1.568 -1.274 58 HA ASN 7 HA ASN 7 4.547 3.592 -1.440 59 1HB ASN 7 HB2 ASN 7 4.856 2.845 -4.077 60 2HB ASN 7 HB1 ASN 7 5.914 3.939 -3.190 61 1HD2 ASN 7 HD21 ASN 7 5.423 0.425 -3.368 62 2HD2 ASN 7 HD22 ASN 7 7.091 0.035 -3.587 63 H TRP 8 HN TRP 8 4.115 0.210 -1.896 64 HA TRP 8 HA TRP 8 1.383 0.664 -2.894 65 1HB TRP 8 HB2 TRP 8 1.553 -1.174 -4.208 66 2HB TRP 8 HB1 TRP 8 3.283 -0.902 -4.034 67 HD1 TRP 8 HD1 TRP 8 4.644 -2.605 -2.517 68 HE1 TRP 8 HE1 TRP 8 4.084 -4.951 -1.608 69 HE3 TRP 8 HE3 TRP 8 -0.390 -2.584 -3.314 70 HZ2 TRP 8 HZ2 TRP 8 1.791 -6.575 -1.275 71 HZ3 TRP 8 HZ3 TRP 8 -1.700 -4.558 -2.676 72 HH2 TRP 8 HH2 TRP 8 -0.633 -6.518 -1.677 73 H PHE 9 HN PHE 9 3.310 -0.661 -0.342 74 HA PHE 9 HA PHE 9 1.379 -2.328 0.854 75 1HB PHE 9 HB2 PHE 9 4.002 -1.764 1.358 76 2HB PHE 9 HB1 PHE 9 3.210 -0.932 2.693 77 HD1 PHE 9 HD1 PHE 9 4.060 -4.141 1.234 78 HD2 PHE 9 HD2 PHE 9 1.868 -2.194 4.319 79 HE1 PHE 9 HE1 PHE 9 3.845 -6.282 2.427 80 HE2 PHE 9 HE2 PHE 9 1.651 -4.332 5.518 81 HZ PHE 9 HZ PHE 9 2.640 -6.379 4.572 82 H ASN 10 HN ASN 10 1.787 1.089 0.749 83 HA ASN 10 HA ASN 10 0.024 1.601 2.990 84 1HB ASN 10 HB2 ASN 10 0.755 3.755 2.896 85 2HB ASN 10 HB1 ASN 10 2.060 3.047 1.948 86 1HD2 ASN 10 HD21 ASN 10 1.442 2.812 -0.457 87 2HD2 ASN 10 HD22 ASN 10 0.730 4.214 -1.174 88 H ILE 11 HN ILE 11 -0.226 0.919 -0.288 89 HA ILE 11 HA ILE 11 -2.601 2.405 -0.875 90 HB ILE 11 HB ILE 11 -1.446 0.014 -2.315 91 1HG1 ILE 11 HG12 ILE 11 -1.069 2.988 -2.726 92 2HG1 ILE 11 HG11 ILE 11 0.166 1.820 -2.262 93 1HG2 ILE 11 HG21 ILE 11 -3.100 2.018 -3.722 94 2HG2 ILE 11 HG22 ILE 11 -3.944 0.941 -2.610 95 3HG2 ILE 11 HG23 ILE 11 -3.001 0.270 -3.941 96 1HD1 ILE 11 HD11 ILE 11 -0.240 2.714 -4.779 97 2HD1 ILE 11 HD12 ILE 11 -1.197 1.233 -4.793 98 3HD1 ILE 11 HD13 ILE 11 0.516 1.173 -4.378 99 H THR 12 HN THR 12 -1.865 -0.761 0.397 100 HA THR 12 HA THR 12 -4.468 -1.875 0.069 101 HB THR 12 HB THR 12 -3.473 -3.297 2.143 102 HG1 THR 12 HG1 THR 12 -1.175 -3.412 1.781 103 1HG2 THR 12 HG21 THR 12 -4.023 -4.482 0.228 104 2HG2 THR 12 HG22 THR 12 -2.269 -4.656 0.271 105 3HG2 THR 12 HG23 THR 12 -3.012 -3.476 -0.809 106 H ASN 13 HN ASN 13 -3.562 0.701 1.820 107 HA ASN 13 HA ASN 13 -5.072 0.117 4.234 108 1HB ASN 13 HB2 ASN 13 -3.406 2.454 3.324 109 2HB ASN 13 HB1 ASN 13 -4.426 2.554 4.756 110 1HD2 ASN 13 HD21 ASN 13 -1.833 0.673 3.276 111 2HD2 ASN 13 HD22 ASN 13 -1.082 0.207 4.760 112 H TRP 14 HN TRP 14 -5.236 2.316 1.447 113 HA TRP 14 HA TRP 14 -7.917 3.139 2.274 114 1HB TRP 14 HB2 TRP 14 -7.609 4.638 0.134 115 2HB TRP 14 HB1 TRP 14 -6.837 5.072 1.653 116 HD1 TRP 14 HD1 TRP 14 -4.147 4.379 1.829 117 HE1 TRP 14 HE1 TRP 14 -2.357 4.415 -0.010 118 HE3 TRP 14 HE3 TRP 14 -7.198 4.347 -2.267 119 HZ2 TRP 14 HZ2 TRP 14 -2.252 4.432 -2.833 120 HZ3 TRP 14 HZ3 TRP 14 -6.174 4.378 -4.503 121 HH2 TRP 14 HH2 TRP 14 -3.749 4.420 -4.778 122 H LEU 15 HN LEU 15 -6.237 1.507 -0.373 123 HA LEU 15 HA LEU 15 -8.426 1.255 -2.104 124 1HB LEU 15 HB2 LEU 15 -7.046 0.018 -3.387 125 2HB LEU 15 HB1 LEU 15 -5.821 0.566 -2.264 126 HG LEU 15 HG LEU 15 -6.461 -1.624 -0.966 127 1HD1 LEU 15 HD11 LEU 15 -7.947 -1.877 -3.418 128 2HD1 LEU 15 HD12 LEU 15 -7.950 -2.914 -1.992 129 3HD1 LEU 15 HD13 LEU 15 -6.761 -3.175 -3.268 130 1HD2 LEU 15 HD21 LEU 15 -4.596 -2.665 -1.918 131 2HD2 LEU 15 HD22 LEU 15 -4.302 -0.943 -2.159 132 3HD2 LEU 15 HD23 LEU 15 -4.883 -1.934 -3.497 133 H TRP 16 HN TRP 16 -7.438 -0.559 0.718 134 HA TRP 16 HA TRP 16 -9.221 -2.737 0.429 135 1HB TRP 16 HB2 TRP 16 -7.265 -1.924 2.282 136 2HB TRP 16 HB1 TRP 16 -8.763 -2.036 3.199 137 HD1 TRP 16 HD1 TRP 16 -9.054 -4.327 4.262 138 HE1 TRP 16 HE1 TRP 16 -8.394 -6.745 3.678 139 HE3 TRP 16 HE3 TRP 16 -6.716 -3.474 -0.204 140 HZ2 TRP 16 HZ2 TRP 16 -7.059 -8.111 1.598 141 HZ3 TRP 16 HZ3 TRP 16 -5.774 -5.391 -1.427 142 HH2 TRP 16 HH2 TRP 16 -5.943 -7.660 -0.543 143 H TYR 17 HN TYR 17 -9.462 0.471 1.802 144 HA TYR 17 HA TYR 17 -12.011 0.151 3.017 145 1HB TYR 17 HB2 TYR 17 -11.226 2.075 3.901 146 2HB TYR 17 HB1 TYR 17 -10.075 2.292 2.588 147 HD1 TYR 17 HD1 TYR 17 -13.602 2.887 3.583 148 HD2 TYR 17 HD2 TYR 17 -10.454 3.902 0.906 149 HE1 TYR 17 HE1 TYR 17 -14.938 4.769 2.736 150 HE2 TYR 17 HE2 TYR 17 -11.782 5.787 0.052 151 HH TYR 17 HH TYR 17 -15.031 6.120 0.543 152 H ILE 18 HN ILE 18 -10.866 0.950 -0.169 153 HA ILE 18 HA ILE 18 -13.357 1.885 -1.206 154 HB ILE 18 HB ILE 18 -10.951 0.822 -2.700 155 1HG1 ILE 18 HG12 ILE 18 -11.642 3.723 -2.290 156 2HG1 ILE 18 HG11 ILE 18 -10.678 2.848 -1.106 157 1HG2 ILE 18 HG21 ILE 18 -11.922 1.433 -4.642 158 2HG2 ILE 18 HG22 ILE 18 -12.730 2.827 -3.924 159 3HG2 ILE 18 HG23 ILE 18 -13.413 1.214 -3.726 160 1HD1 ILE 18 HD11 ILE 18 -9.198 2.228 -3.137 161 2HD1 ILE 18 HD12 ILE 18 -9.077 3.839 -2.431 162 3HD1 ILE 18 HD13 ILE 18 -10.000 3.594 -3.913 163 H LYS 19 HN LYS 19 -11.775 -1.220 -0.930 164 HA LYS 19 HA LYS 19 -13.514 -2.602 -2.730 165 1HB LYS 19 HB2 LYS 19 -11.201 -3.218 -1.114 166 2HB LYS 19 HB1 LYS 19 -12.428 -4.463 -0.928 167 1HG LYS 19 HG2 LYS 19 -11.158 -5.233 -2.700 168 2HG LYS 19 HG1 LYS 19 -12.522 -4.451 -3.501 169 1HD LYS 19 HD2 LYS 19 -10.925 -2.354 -3.426 170 2HD LYS 19 HD1 LYS 19 -9.674 -3.594 -3.316 171 1HE LYS 19 HE2 LYS 19 -11.805 -3.532 -5.446 172 2HE LYS 19 HE1 LYS 19 -10.199 -2.827 -5.642 173 1HZ LYS 19 HZ1 LYS 19 -10.520 -5.162 -6.520 174 2HZ LYS 19 HZ2 LYS 19 -10.599 -5.674 -4.910 175 3HZ LYS 19 HZ3 LYS 19 -9.194 -4.936 -5.493 176 1HN NH2 20 HN1 LYS 19 -13.385 -3.055 0.953 177 2HN NH2 20 HN2 LYS 19 -14.950 -2.325 0.994 Start of MODEL 26 1 1H LYS 1 HT1 LYS 1 -16.739 0.651 4.224 2 2H LYS 1 HT2 LYS 1 -15.841 -0.781 4.293 3 3H LYS 1 HT3 LYS 1 -17.524 -0.846 4.146 4 HA LYS 1 HA LYS 1 -17.418 -0.782 1.961 5 1HB LYS 1 HB2 LYS 1 -16.571 1.791 2.763 6 2HB LYS 1 HB1 LYS 1 -15.501 1.306 1.455 7 1HG LYS 1 HG2 LYS 1 -18.147 0.634 0.699 8 2HG LYS 1 HG1 LYS 1 -18.156 2.291 1.306 9 1HD LYS 1 HD2 LYS 1 -15.855 1.927 -0.339 10 2HD LYS 1 HD1 LYS 1 -17.275 1.349 -1.213 11 1HE LYS 1 HE2 LYS 1 -18.305 3.607 -0.298 12 2HE LYS 1 HE1 LYS 1 -16.608 4.084 -0.255 13 1HZ LYS 1 HZ1 LYS 1 -16.420 3.555 -2.592 14 2HZ LYS 1 HZ2 LYS 1 -17.677 4.663 -2.357 15 3HZ LYS 1 HZ3 LYS 1 -18.030 3.034 -2.643 16 H TRP 2 HN TRP 2 -15.895 -0.972 0.027 17 HA TRP 2 HA TRP 2 -13.803 -2.821 0.746 18 1HB TRP 2 HB2 TRP 2 -13.616 -3.247 -1.635 19 2HB TRP 2 HB1 TRP 2 -15.317 -3.221 -1.183 20 HD1 TRP 2 HD1 TRP 2 -16.829 -1.291 -2.190 21 HE1 TRP 2 HE1 TRP 2 -16.462 0.398 -4.097 22 HE3 TRP 2 HE3 TRP 2 -11.775 -1.806 -2.770 23 HZ2 TRP 2 HZ2 TRP 2 -14.312 1.382 -5.642 24 HZ3 TRP 2 HZ3 TRP 2 -10.640 -0.454 -4.484 25 HH2 TRP 2 HH2 TRP 2 -11.883 1.107 -5.890 26 H ALA 3 HN ALA 3 -13.962 0.492 0.388 27 HA ALA 3 HA ALA 3 -11.485 1.009 -0.910 28 1HB ALA 3 HB1 ALA 3 -13.436 2.605 -0.640 29 2HB ALA 3 HB2 ALA 3 -11.828 3.274 -0.363 30 3HB ALA 3 HB3 ALA 3 -12.863 2.870 1.007 31 H SER 4 HN SER 4 -11.829 -0.663 1.778 32 HA SER 4 HA SER 4 -9.734 0.676 3.323 33 1HB SER 4 HB2 SER 4 -11.832 -1.341 3.944 34 2HB SER 4 HB1 SER 4 -10.328 -1.432 4.860 35 HG SER 4 HG SER 4 -11.163 1.118 4.700 36 H LEU 5 HN LEU 5 -9.076 -0.554 0.806 37 HA LEU 5 HA LEU 5 -7.260 -2.655 1.781 38 1HB LEU 5 HB2 LEU 5 -7.435 -3.796 -0.354 39 2HB LEU 5 HB1 LEU 5 -9.009 -3.656 0.402 40 HG LEU 5 HG LEU 5 -9.172 -1.505 -1.146 41 1HD1 LEU 5 HD11 LEU 5 -7.895 -1.470 -3.026 42 2HD1 LEU 5 HD12 LEU 5 -7.665 -3.219 -3.038 43 3HD1 LEU 5 HD13 LEU 5 -6.735 -2.215 -1.926 44 1HD2 LEU 5 HD21 LEU 5 -10.834 -3.090 -1.387 45 2HD2 LEU 5 HD22 LEU 5 -9.694 -4.384 -1.754 46 3HD2 LEU 5 HD23 LEU 5 -10.044 -3.147 -2.962 47 H TRP 6 HN TRP 6 -7.682 0.255 0.001 48 HA TRP 6 HA TRP 6 -5.159 0.123 -1.375 49 1HB TRP 6 HB2 TRP 6 -5.818 2.012 -2.472 50 2HB TRP 6 HB1 TRP 6 -7.399 1.483 -1.910 51 HD1 TRP 6 HD1 TRP 6 -8.591 2.946 -0.034 52 HE1 TRP 6 HE1 TRP 6 -8.148 5.319 0.860 53 HE3 TRP 6 HE3 TRP 6 -3.911 3.680 -1.959 54 HZ2 TRP 6 HZ2 TRP 6 -6.088 7.247 0.761 55 HZ3 TRP 6 HZ3 TRP 6 -2.774 5.816 -1.513 56 HH2 TRP 6 HH2 TRP 6 -3.842 7.562 -0.181 57 H ASN 7 HN ASN 7 -6.294 1.311 1.685 58 HA ASN 7 HA ASN 7 -4.391 3.211 2.322 59 1HB ASN 7 HB2 ASN 7 -4.873 1.565 4.628 60 2HB ASN 7 HB1 ASN 7 -5.455 3.191 4.289 61 1HD2 ASN 7 HD21 ASN 7 -6.252 -0.091 4.551 62 2HD2 ASN 7 HD22 ASN 7 -7.906 0.026 4.067 63 H TRP 8 HN TRP 8 -4.053 -0.215 2.074 64 HA TRP 8 HA TRP 8 -1.286 -0.017 3.066 65 1HB TRP 8 HB2 TRP 8 -1.486 -2.014 4.115 66 2HB TRP 8 HB1 TRP 8 -3.204 -1.642 4.065 67 HD1 TRP 8 HD1 TRP 8 -4.717 -3.058 2.389 68 HE1 TRP 8 HE1 TRP 8 -4.307 -5.285 1.154 69 HE3 TRP 8 HE3 TRP 8 0.338 -3.373 2.964 70 HZ2 TRP 8 HZ2 TRP 8 -2.115 -6.953 0.512 71 HZ3 TRP 8 HZ3 TRP 8 1.522 -5.300 2.016 72 HH2 TRP 8 HH2 TRP 8 0.322 -7.059 0.813 73 H PHE 9 HN PHE 9 -3.354 -0.955 0.442 74 HA PHE 9 HA PHE 9 -1.552 -2.508 -1.052 75 1HB PHE 9 HB2 PHE 9 -4.158 -1.657 -1.368 76 2HB PHE 9 HB1 PHE 9 -3.314 -0.811 -2.659 77 HD1 PHE 9 HD1 PHE 9 -3.159 -1.865 -4.685 78 HD2 PHE 9 HD2 PHE 9 -3.468 -4.221 -1.156 79 HE1 PHE 9 HE1 PHE 9 -3.216 -3.907 -6.058 80 HE2 PHE 9 HE2 PHE 9 -3.524 -6.267 -2.520 81 HZ PHE 9 HZ PHE 9 -3.398 -6.112 -4.975 82 H ASN 10 HN ASN 10 -1.777 0.886 -0.490 83 HA ASN 10 HA ASN 10 -0.039 1.560 -2.712 84 1HB ASN 10 HB2 ASN 10 -1.221 3.460 -2.555 85 2HB ASN 10 HB1 ASN 10 -1.882 2.980 -0.996 86 1HD2 ASN 10 HD21 ASN 10 -0.765 3.560 0.901 87 2HD2 ASN 10 HD22 ASN 10 0.352 4.877 0.912 88 H ILE 11 HN ILE 11 0.198 0.715 0.565 89 HA ILE 11 HA ILE 11 2.608 2.078 1.215 90 HB ILE 11 HB ILE 11 1.530 -0.454 2.460 91 1HG1 ILE 11 HG12 ILE 11 1.013 2.454 3.119 92 2HG1 ILE 11 HG11 ILE 11 -0.166 1.281 2.538 93 1HG2 ILE 11 HG21 ILE 11 3.940 0.228 2.891 94 2HG2 ILE 11 HG22 ILE 11 2.917 0.000 4.309 95 3HG2 ILE 11 HG23 ILE 11 3.282 1.628 3.739 96 1HD1 ILE 11 HD11 ILE 11 0.164 -0.003 4.630 97 2HD1 ILE 11 HD12 ILE 11 -0.484 1.617 4.883 98 3HD1 ILE 11 HD13 ILE 11 1.218 1.287 5.208 99 H THR 12 HN THR 12 1.861 -1.052 -0.192 100 HA THR 12 HA THR 12 4.467 -2.152 -0.028 101 HB THR 12 HB THR 12 3.496 -3.472 -2.134 102 HG1 THR 12 HG1 THR 12 1.083 -3.521 -1.530 103 1HG2 THR 12 HG21 THR 12 2.836 -3.721 0.777 104 2HG2 THR 12 HG22 THR 12 3.914 -4.708 -0.210 105 3HG2 THR 12 HG23 THR 12 2.165 -4.861 -0.389 106 H ASN 13 HN ASN 13 3.528 0.529 -1.633 107 HA ASN 13 HA ASN 13 5.082 0.067 -4.054 108 1HB ASN 13 HB2 ASN 13 3.107 2.090 -3.155 109 2HB ASN 13 HB1 ASN 13 4.357 2.652 -4.261 110 1HD2 ASN 13 HD21 ASN 13 1.950 0.099 -3.833 111 2HD2 ASN 13 HD22 ASN 13 1.585 -0.080 -5.512 112 H TRP 14 HN TRP 14 5.068 2.357 -1.310 113 HA TRP 14 HA TRP 14 7.719 3.280 -2.061 114 1HB TRP 14 HB2 TRP 14 7.373 4.655 0.148 115 2HB TRP 14 HB1 TRP 14 6.533 5.112 -1.328 116 HD1 TRP 14 HD1 TRP 14 3.878 4.346 -1.459 117 HE1 TRP 14 HE1 TRP 14 2.146 4.174 0.427 118 HE3 TRP 14 HE3 TRP 14 7.052 4.139 2.539 119 HZ2 TRP 14 HZ2 TRP 14 2.124 3.984 3.245 120 HZ3 TRP 14 HZ3 TRP 14 6.095 3.967 4.798 121 HH2 TRP 14 HH2 TRP 14 3.680 3.891 5.142 122 H LEU 15 HN LEU 15 6.183 1.431 0.530 123 HA LEU 15 HA LEU 15 8.421 1.215 2.204 124 1HB LEU 15 HB2 LEU 15 7.125 -0.127 3.465 125 2HB LEU 15 HB1 LEU 15 5.853 0.405 2.386 126 HG LEU 15 HG LEU 15 6.574 -1.704 0.995 127 1HD1 LEU 15 HD11 LEU 15 8.478 -2.079 2.686 128 2HD1 LEU 15 HD12 LEU 15 7.516 -3.469 2.178 129 3HD1 LEU 15 HD13 LEU 15 7.213 -2.711 3.741 130 1HD2 LEU 15 HD21 LEU 15 5.040 -2.165 3.531 131 2HD2 LEU 15 HD22 LEU 15 4.778 -2.876 1.939 132 3HD2 LEU 15 HD23 LEU 15 4.398 -1.177 2.220 133 H TRP 16 HN TRP 16 7.419 -0.607 -0.626 134 HA TRP 16 HA TRP 16 9.357 -2.665 -0.431 135 1HB TRP 16 HB2 TRP 16 7.258 -1.956 -2.197 136 2HB TRP 16 HB1 TRP 16 8.719 -2.073 -3.171 137 HD1 TRP 16 HD1 TRP 16 9.109 -4.407 -4.106 138 HE1 TRP 16 HE1 TRP 16 8.504 -6.811 -3.413 139 HE3 TRP 16 HE3 TRP 16 6.721 -3.403 0.298 140 HZ2 TRP 16 HZ2 TRP 16 7.184 -8.109 -1.281 141 HZ3 TRP 16 HZ3 TRP 16 5.814 -5.280 1.604 142 HH2 TRP 16 HH2 TRP 16 6.041 -7.584 0.829 143 H TYR 17 HN TYR 17 9.371 0.589 -1.610 144 HA TYR 17 HA TYR 17 11.848 0.389 -3.047 145 1HB TYR 17 HB2 TYR 17 10.814 2.189 -3.942 146 2HB TYR 17 HB1 TYR 17 9.807 2.427 -2.520 147 HD1 TYR 17 HD1 TYR 17 10.436 3.992 -0.802 148 HD2 TYR 17 HD2 TYR 17 13.015 3.269 -4.109 149 HE1 TYR 17 HE1 TYR 17 11.751 5.985 -0.206 150 HE2 TYR 17 HE2 TYR 17 14.337 5.258 -3.521 151 HH TYR 17 HH TYR 17 14.607 6.937 -2.095 152 H ILE 18 HN ILE 18 10.829 1.174 0.187 153 HA ILE 18 HA ILE 18 13.211 2.420 1.073 154 HB ILE 18 HB ILE 18 11.024 0.997 2.593 155 1HG1 ILE 18 HG12 ILE 18 11.568 3.931 2.728 156 2HG1 ILE 18 HG11 ILE 18 10.785 3.296 1.284 157 1HG2 ILE 18 HG21 ILE 18 12.255 2.651 4.397 158 2HG2 ILE 18 HG22 ILE 18 13.618 1.986 3.498 159 3HG2 ILE 18 HG23 ILE 18 12.474 0.904 4.293 160 1HD1 ILE 18 HD11 ILE 18 9.634 3.934 3.789 161 2HD1 ILE 18 HD12 ILE 18 9.473 2.195 3.539 162 3HD1 ILE 18 HD13 ILE 18 8.844 3.321 2.335 163 H LYS 19 HN LYS 19 12.080 -0.932 1.103 164 HA LYS 19 HA LYS 19 14.245 -1.976 2.600 165 1HB LYS 19 HB2 LYS 19 12.225 -3.217 0.747 166 2HB LYS 19 HB1 LYS 19 13.504 -4.173 1.485 167 1HG LYS 19 HG2 LYS 19 12.580 -4.070 3.555 168 2HG LYS 19 HG1 LYS 19 11.869 -2.479 3.281 169 1HD LYS 19 HD2 LYS 19 9.918 -3.394 2.732 170 2HD LYS 19 HD1 LYS 19 10.691 -4.392 1.498 171 1HE LYS 19 HE2 LYS 19 10.376 -5.033 4.428 172 2HE LYS 19 HE1 LYS 19 9.562 -5.819 3.074 173 1HZ LYS 19 HZ1 LYS 19 11.654 -6.693 2.315 174 2HZ LYS 19 HZ2 LYS 19 11.464 -7.105 3.945 175 3HZ LYS 19 HZ3 LYS 19 12.505 -5.846 3.507 176 1HN NH2 20 HN1 LYS 19 13.654 -2.053 -0.958 177 2HN NH2 20 HN2 LYS 19 15.288 -2.454 -1.352 Start of MODEL 27 1 1H LYS 1 HT1 LYS 1 -16.594 -1.745 -5.492 2 2H LYS 1 HT2 LYS 1 -14.950 -1.520 -5.162 3 3H LYS 1 HT3 LYS 1 -15.865 -0.249 -5.801 4 HA LYS 1 HA LYS 1 -17.218 -0.199 -3.787 5 1HB LYS 1 HB2 LYS 1 -15.922 -2.703 -3.428 6 2HB LYS 1 HB1 LYS 1 -15.444 -1.670 -2.089 7 1HG LYS 1 HG2 LYS 1 -18.168 -1.255 -2.303 8 2HG LYS 1 HG1 LYS 1 -17.969 -2.981 -2.611 9 1HD LYS 1 HD2 LYS 1 -16.427 -2.912 -0.523 10 2HD LYS 1 HD1 LYS 1 -17.260 -1.396 -0.173 11 1HE LYS 1 HE2 LYS 1 -18.732 -3.955 -0.745 12 2HE LYS 1 HE1 LYS 1 -18.216 -3.505 0.880 13 1HZ LYS 1 HZ1 LYS 1 -20.111 -2.050 -0.877 14 2HZ LYS 1 HZ2 LYS 1 -19.477 -1.392 0.546 15 3HZ LYS 1 HZ3 LYS 1 -20.439 -2.781 0.613 16 H TRP 2 HN TRP 2 -15.919 0.251 -1.417 17 HA TRP 2 HA TRP 2 -14.140 2.437 -2.158 18 1HB TRP 2 HB2 TRP 2 -14.490 3.267 0.087 19 2HB TRP 2 HB1 TRP 2 -16.049 2.833 -0.607 20 HD1 TRP 2 HD1 TRP 2 -17.315 0.714 0.439 21 HE1 TRP 2 HE1 TRP 2 -17.054 -0.498 2.694 22 HE3 TRP 2 HE3 TRP 2 -12.766 2.580 1.845 23 HZ2 TRP 2 HZ2 TRP 2 -15.169 -0.645 4.791 24 HZ3 TRP 2 HZ3 TRP 2 -11.804 1.853 3.990 25 HH2 TRP 2 HH2 TRP 2 -12.982 0.274 5.431 26 H ALA 3 HN ALA 3 -13.745 -0.731 -1.468 27 HA ALA 3 HA ALA 3 -11.546 -0.593 0.374 28 1HB ALA 3 HB1 ALA 3 -11.255 -3.031 -0.394 29 2HB ALA 3 HB2 ALA 3 -12.770 -2.784 -1.261 30 3HB ALA 3 HB3 ALA 3 -12.717 -2.599 0.492 31 H SER 4 HN SER 4 -11.421 0.919 -2.224 32 HA SER 4 HA SER 4 -9.094 -0.360 -3.464 33 1HB SER 4 HB2 SER 4 -9.420 1.436 -5.223 34 2HB SER 4 HB1 SER 4 -10.734 0.268 -5.083 35 HG SER 4 HG SER 4 -11.992 1.768 -4.142 36 H LEU 5 HN LEU 5 -8.965 0.929 -0.854 37 HA LEU 5 HA LEU 5 -6.987 3.008 -1.506 38 1HB LEU 5 HB2 LEU 5 -7.625 4.198 0.551 39 2HB LEU 5 HB1 LEU 5 -8.933 4.119 -0.614 40 HG LEU 5 HG LEU 5 -9.541 1.958 0.868 41 1HD1 LEU 5 HD11 LEU 5 -7.552 3.303 2.387 42 2HD1 LEU 5 HD12 LEU 5 -8.490 1.873 2.816 43 3HD1 LEU 5 HD13 LEU 5 -9.100 3.479 3.214 44 1HD2 LEU 5 HD21 LEU 5 -10.916 3.732 2.258 45 2HD2 LEU 5 HD22 LEU 5 -11.264 3.420 0.557 46 3HD2 LEU 5 HD23 LEU 5 -10.303 4.826 1.017 47 H TRP 6 HN TRP 6 -7.723 0.115 0.117 48 HA TRP 6 HA TRP 6 -5.456 0.367 1.939 49 1HB TRP 6 HB2 TRP 6 -6.389 -1.283 3.222 50 2HB TRP 6 HB1 TRP 6 -7.847 -0.672 2.453 51 HD1 TRP 6 HD1 TRP 6 -9.153 -2.298 0.855 52 HE1 TRP 6 HE1 TRP 6 -8.915 -4.799 0.296 53 HE3 TRP 6 HE3 TRP 6 -4.555 -3.156 2.917 54 HZ2 TRP 6 HZ2 TRP 6 -7.027 -6.864 0.680 55 HZ3 TRP 6 HZ3 TRP 6 -3.603 -5.421 2.778 56 HH2 TRP 6 HH2 TRP 6 -4.816 -7.237 1.684 57 H ASN 7 HN ASN 7 -6.421 -1.256 -0.982 58 HA ASN 7 HA ASN 7 -4.607 -3.348 -1.087 59 1HB ASN 7 HB2 ASN 7 -4.704 -2.597 -3.698 60 2HB ASN 7 HB1 ASN 7 -5.949 -3.548 -2.895 61 1HD2 ASN 7 HD21 ASN 7 -5.081 -0.106 -2.897 62 2HD2 ASN 7 HD22 ASN 7 -6.657 0.464 -3.318 63 H TRP 8 HN TRP 8 -4.021 0.026 -1.288 64 HA TRP 8 HA TRP 8 -1.278 -0.464 -2.238 65 1HB TRP 8 HB2 TRP 8 -1.310 1.512 -3.348 66 2HB TRP 8 HB1 TRP 8 -3.053 1.285 -3.282 67 HD1 TRP 8 HD1 TRP 8 -4.437 2.894 -1.690 68 HE1 TRP 8 HE1 TRP 8 -3.844 5.112 -0.519 69 HE3 TRP 8 HE3 TRP 8 0.633 2.729 -2.199 70 HZ2 TRP 8 HZ2 TRP 8 -1.513 6.592 0.108 71 HZ3 TRP 8 HZ3 TRP 8 1.976 4.570 -1.289 72 HH2 TRP 8 HH2 TRP 8 0.927 6.466 -0.158 73 H PHE 9 HN PHE 9 -3.200 0.707 0.405 74 HA PHE 9 HA PHE 9 -1.200 2.141 1.785 75 1HB PHE 9 HB2 PHE 9 -3.896 1.391 2.243 76 2HB PHE 9 HB1 PHE 9 -2.968 0.844 3.636 77 HD1 PHE 9 HD1 PHE 9 -4.086 3.742 1.712 78 HD2 PHE 9 HD2 PHE 9 -1.903 2.421 5.116 79 HE1 PHE 9 HE1 PHE 9 -4.103 6.034 2.605 80 HE2 PHE 9 HE2 PHE 9 -1.915 4.711 6.018 81 HZ PHE 9 HZ PHE 9 -3.018 6.521 4.762 82 H ASN 10 HN ASN 10 -1.844 -1.220 1.374 83 HA ASN 10 HA ASN 10 -0.051 -2.008 3.527 84 1HB ASN 10 HB2 ASN 10 -0.761 -4.237 3.131 85 2HB ASN 10 HB1 ASN 10 -2.207 -3.248 2.948 86 1HD2 ASN 10 HD21 ASN 10 0.165 -5.193 1.328 87 2HD2 ASN 10 HD22 ASN 10 -0.680 -5.336 -0.173 88 H ILE 11 HN ILE 11 0.626 -0.581 0.888 89 HA ILE 11 HA ILE 11 2.697 -2.448 -0.058 90 HB ILE 11 HB ILE 11 1.591 -0.018 -1.474 91 1HG1 ILE 11 HG12 ILE 11 1.017 -2.968 -1.780 92 2HG1 ILE 11 HG11 ILE 11 -0.130 -1.679 -1.418 93 1HG2 ILE 11 HG21 ILE 11 2.994 -2.001 -3.071 94 2HG2 ILE 11 HG22 ILE 11 4.019 -1.277 -1.833 95 3HG2 ILE 11 HG23 ILE 11 3.195 -0.250 -3.007 96 1HD1 ILE 11 HD11 ILE 11 0.291 -0.754 -3.680 97 2HD1 ILE 11 HD12 ILE 11 -0.421 -2.368 -3.686 98 3HD1 ILE 11 HD13 ILE 11 1.298 -2.161 -4.022 99 H THR 12 HN THR 12 2.075 0.687 1.313 100 HA THR 12 HA THR 12 4.540 1.934 0.817 101 HB THR 12 HB THR 12 3.812 2.938 3.267 102 HG1 THR 12 HG1 THR 12 1.848 2.271 3.662 103 1HG2 THR 12 HG21 THR 12 3.202 3.633 0.439 104 2HG2 THR 12 HG22 THR 12 4.125 4.526 1.649 105 3HG2 THR 12 HG23 THR 12 2.362 4.522 1.710 106 H ASN 13 HN ASN 13 3.977 -0.849 2.558 107 HA ASN 13 HA ASN 13 6.001 -0.372 4.584 108 1HB ASN 13 HB2 ASN 13 5.355 -3.111 4.562 109 2HB ASN 13 HB1 ASN 13 4.797 -1.888 5.696 110 1HD2 ASN 13 HD21 ASN 13 2.949 -0.507 4.716 111 2HD2 ASN 13 HD22 ASN 13 1.677 -1.414 3.978 112 H TRP 14 HN TRP 14 5.585 -2.560 1.788 113 HA TRP 14 HA TRP 14 8.384 -3.320 1.994 114 1HB TRP 14 HB2 TRP 14 7.764 -4.709 -0.107 115 2HB TRP 14 HB1 TRP 14 7.152 -5.208 1.463 116 HD1 TRP 14 HD1 TRP 14 4.499 -4.377 1.952 117 HE1 TRP 14 HE1 TRP 14 2.528 -4.391 0.307 118 HE3 TRP 14 HE3 TRP 14 7.107 -4.487 -2.437 119 HZ2 TRP 14 HZ2 TRP 14 2.125 -4.448 -2.487 120 HZ3 TRP 14 HZ3 TRP 14 5.856 -4.523 -4.554 121 HH2 TRP 14 HH2 TRP 14 3.415 -4.502 -4.577 122 H LEU 15 HN LEU 15 6.257 -1.591 -0.248 123 HA LEU 15 HA LEU 15 8.089 -1.178 -2.303 124 1HB LEU 15 HB2 LEU 15 6.507 0.136 -3.219 125 2HB LEU 15 HB1 LEU 15 5.510 -0.495 -1.926 126 HG LEU 15 HG LEU 15 6.413 1.613 -0.633 127 1HD1 LEU 15 HD11 LEU 15 6.787 3.520 -2.042 128 2HD1 LEU 15 HD12 LEU 15 6.522 2.553 -3.493 129 3HD1 LEU 15 HD13 LEU 15 7.939 2.258 -2.485 130 1HD2 LEU 15 HD21 LEU 15 4.413 2.762 -1.214 131 2HD2 LEU 15 HD22 LEU 15 4.057 1.036 -1.278 132 3HD2 LEU 15 HD23 LEU 15 4.320 1.939 -2.770 133 H TRP 16 HN TRP 16 7.670 0.479 0.759 134 HA TRP 16 HA TRP 16 9.415 2.651 0.223 135 1HB TRP 16 HB2 TRP 16 7.780 1.818 2.363 136 2HB TRP 16 HB1 TRP 16 9.413 1.905 3.014 137 HD1 TRP 16 HD1 TRP 16 9.894 4.180 4.051 138 HE1 TRP 16 HE1 TRP 16 9.177 6.612 3.605 139 HE3 TRP 16 HE3 TRP 16 6.852 3.407 0.014 140 HZ2 TRP 16 HZ2 TRP 16 7.539 8.016 1.785 141 HZ3 TRP 16 HZ3 TRP 16 5.748 5.347 -1.020 142 HH2 TRP 16 HH2 TRP 16 6.085 7.603 -0.152 143 H TYR 17 HN TYR 17 9.836 -0.623 1.321 144 HA TYR 17 HA TYR 17 12.539 -0.364 2.183 145 1HB TYR 17 HB2 TYR 17 11.733 -2.280 3.107 146 2HB TYR 17 HB1 TYR 17 10.578 -2.540 1.805 147 HD1 TYR 17 HD1 TYR 17 14.121 -2.996 2.789 148 HD2 TYR 17 HD2 TYR 17 11.041 -4.066 0.055 149 HE1 TYR 17 HE1 TYR 17 15.544 -4.793 1.899 150 HE2 TYR 17 HE2 TYR 17 12.456 -5.866 -0.843 151 HH TYR 17 HH TYR 17 14.991 -6.327 -0.973 152 H ILE 18 HN ILE 18 10.942 -0.953 -0.848 153 HA ILE 18 HA ILE 18 13.173 -1.949 -2.289 154 HB ILE 18 HB ILE 18 10.669 -0.570 -3.274 155 1HG1 ILE 18 HG12 ILE 18 11.291 -3.500 -3.494 156 2HG1 ILE 18 HG11 ILE 18 10.620 -2.850 -2.002 157 1HG2 ILE 18 HG21 ILE 18 11.268 -1.735 -5.443 158 2HG2 ILE 18 HG22 ILE 18 12.877 -1.970 -4.761 159 3HG2 ILE 18 HG23 ILE 18 12.254 -0.339 -5.008 160 1HD1 ILE 18 HD11 ILE 18 8.586 -2.887 -2.861 161 2HD1 ILE 18 HD12 ILE 18 9.247 -3.652 -4.306 162 3HD1 ILE 18 HD13 ILE 18 9.101 -1.896 -4.226 163 H LYS 19 HN LYS 19 11.802 1.293 -1.873 164 HA LYS 19 HA LYS 19 13.818 2.498 -3.555 165 1HB LYS 19 HB2 LYS 19 11.616 3.658 -1.848 166 2HB LYS 19 HB1 LYS 19 12.740 4.646 -2.772 167 1HG LYS 19 HG2 LYS 19 11.827 2.875 -4.651 168 2HG LYS 19 HG1 LYS 19 10.400 3.151 -3.650 169 1HD LYS 19 HD2 LYS 19 12.053 5.466 -4.574 170 2HD LYS 19 HD1 LYS 19 10.887 4.721 -5.670 171 1HE LYS 19 HE2 LYS 19 9.109 5.522 -4.533 172 2HE LYS 19 HE1 LYS 19 9.888 5.310 -2.964 173 1HZ LYS 19 HZ1 LYS 19 10.281 7.545 -4.881 174 2HZ LYS 19 HZ2 LYS 19 11.273 7.296 -3.535 175 3HZ LYS 19 HZ3 LYS 19 9.628 7.630 -3.321 176 1HN NH2 20 HN1 LYS 19 12.932 3.099 -0.113 177 2HN NH2 20 HN2 LYS 19 14.548 3.464 0.377 Start of MODEL 28 1 1H LYS 1 HT1 LYS 1 18.594 1.062 2.683 2 2H LYS 1 HT2 LYS 1 17.297 1.911 3.360 3 3H LYS 1 HT3 LYS 1 18.100 2.533 2.009 4 HA LYS 1 HA LYS 1 17.243 0.924 0.578 5 1HB LYS 1 HB2 LYS 1 17.219 -0.598 3.013 6 2HB LYS 1 HB1 LYS 1 15.641 -0.710 2.246 7 1HG LYS 1 HG2 LYS 1 18.233 -1.261 0.823 8 2HG LYS 1 HG1 LYS 1 17.251 -2.502 1.604 9 1HD LYS 1 HD2 LYS 1 15.456 -2.166 0.108 10 2HD LYS 1 HD1 LYS 1 16.137 -0.650 -0.487 11 1HE LYS 1 HE2 LYS 1 17.297 -1.719 -2.053 12 2HE LYS 1 HE1 LYS 1 18.014 -2.793 -0.853 13 1HZ LYS 1 HZ1 LYS 1 16.062 -3.388 -2.775 14 2HZ LYS 1 HZ2 LYS 1 15.368 -3.592 -1.247 15 3HZ LYS 1 HZ3 LYS 1 16.781 -4.429 -1.652 16 H TRP 2 HN TRP 2 15.241 1.143 -0.389 17 HA TRP 2 HA TRP 2 13.299 2.770 1.110 18 1HB TRP 2 HB2 TRP 2 12.551 3.644 -1.048 19 2HB TRP 2 HB1 TRP 2 14.280 3.900 -0.843 20 HD1 TRP 2 HD1 TRP 2 15.925 2.557 -2.457 21 HE1 TRP 2 HE1 TRP 2 15.536 1.331 -4.686 22 HE3 TRP 2 HE3 TRP 2 10.823 2.221 -2.326 23 HZ2 TRP 2 HZ2 TRP 2 13.358 0.353 -6.189 24 HZ3 TRP 2 HZ3 TRP 2 9.665 1.127 -4.200 25 HH2 TRP 2 HH2 TRP 2 10.908 0.212 -6.091 26 H ALA 3 HN ALA 3 13.753 -0.315 0.374 27 HA ALA 3 HA ALA 3 11.286 -1.046 -0.863 28 1HB ALA 3 HB1 ALA 3 12.454 -2.906 -1.161 29 2HB ALA 3 HB2 ALA 3 12.271 -3.259 0.557 30 3HB ALA 3 HB3 ALA 3 13.681 -2.367 -0.015 31 H SER 4 HN SER 4 11.496 0.486 1.869 32 HA SER 4 HA SER 4 9.689 -1.260 3.387 33 1HB SER 4 HB2 SER 4 11.312 1.130 4.286 34 2HB SER 4 HB1 SER 4 10.204 0.226 5.317 35 HG SER 4 HG SER 4 11.811 -1.524 4.163 36 H LEU 5 HN LEU 5 9.073 0.555 1.048 37 HA LEU 5 HA LEU 5 6.955 2.105 2.383 38 1HB LEU 5 HB2 LEU 5 7.071 3.756 0.599 39 2HB LEU 5 HB1 LEU 5 8.607 3.618 1.431 40 HG LEU 5 HG LEU 5 9.121 1.948 -0.581 41 1HD1 LEU 5 HD11 LEU 5 6.634 3.021 -1.329 42 2HD1 LEU 5 HD12 LEU 5 7.719 2.024 -2.296 43 3HD1 LEU 5 HD13 LEU 5 7.841 3.782 -2.366 44 1HD2 LEU 5 HD21 LEU 5 10.499 3.829 -0.070 45 2HD2 LEU 5 HD22 LEU 5 9.263 4.957 -0.628 46 3HD2 LEU 5 HD23 LEU 5 10.091 3.914 -1.784 47 H TRP 6 HN TRP 6 7.591 -0.501 0.470 48 HA TRP 6 HA TRP 6 5.276 -0.203 -1.262 49 1HB TRP 6 HB2 TRP 6 6.123 -1.908 -2.529 50 2HB TRP 6 HB1 TRP 6 7.615 -1.376 -1.767 51 HD1 TRP 6 HD1 TRP 6 8.849 -3.075 -0.198 52 HE1 TRP 6 HE1 TRP 6 8.462 -5.549 0.396 53 HE3 TRP 6 HE3 TRP 6 4.156 -3.654 -2.141 54 HZ2 TRP 6 HZ2 TRP 6 6.436 -7.489 0.084 55 HZ3 TRP 6 HZ3 TRP 6 3.062 -5.849 -1.949 56 HH2 TRP 6 HH2 TRP 6 4.181 -7.728 -0.861 57 H ASN 7 HN ASN 7 6.221 -1.857 1.658 58 HA ASN 7 HA ASN 7 4.262 -3.815 1.828 59 1HB ASN 7 HB2 ASN 7 4.711 -2.550 4.404 60 2HB ASN 7 HB1 ASN 7 5.137 -4.170 3.864 61 1HD2 ASN 7 HD21 ASN 7 6.320 -1.253 4.882 62 2HD2 ASN 7 HD22 ASN 7 7.950 -1.409 4.335 63 H TRP 8 HN TRP 8 4.000 -0.400 2.103 64 HA TRP 8 HA TRP 8 1.218 -0.648 3.024 65 1HB TRP 8 HB2 TRP 8 1.452 1.255 4.230 66 2HB TRP 8 HB1 TRP 8 3.169 0.885 4.121 67 HD1 TRP 8 HD1 TRP 8 4.663 2.436 2.575 68 HE1 TRP 8 HE1 TRP 8 4.244 4.739 1.495 69 HE3 TRP 8 HE3 TRP 8 -0.397 2.690 3.171 70 HZ2 TRP 8 HZ2 TRP 8 2.043 6.437 0.967 71 HZ3 TRP 8 HZ3 TRP 8 -1.588 4.674 2.355 72 HH2 TRP 8 HH2 TRP 8 -0.394 6.513 1.275 73 H PHE 9 HN PHE 9 3.291 0.457 0.461 74 HA PHE 9 HA PHE 9 1.446 2.103 -0.898 75 1HB PHE 9 HB2 PHE 9 4.077 1.445 -1.276 76 2HB PHE 9 HB1 PHE 9 3.304 0.585 -2.602 77 HD1 PHE 9 HD1 PHE 9 3.914 3.891 -1.116 78 HD2 PHE 9 HD2 PHE 9 2.353 1.755 -4.450 79 HE1 PHE 9 HE1 PHE 9 3.811 5.985 -2.405 80 HE2 PHE 9 HE2 PHE 9 2.250 3.845 -5.745 81 HZ PHE 9 HZ PHE 9 2.979 5.963 -4.722 82 H ASN 10 HN ASN 10 1.793 -1.318 -0.621 83 HA ASN 10 HA ASN 10 0.113 -1.903 -2.901 84 1HB ASN 10 HB2 ASN 10 0.905 -4.005 -2.709 85 2HB ASN 10 HB1 ASN 10 2.025 -3.346 -1.522 86 1HD2 ASN 10 HD21 ASN 10 1.143 -3.243 0.739 87 2HD2 ASN 10 HD22 ASN 10 0.213 -4.596 1.278 88 H ILE 11 HN ILE 11 -0.243 -1.102 0.357 89 HA ILE 11 HA ILE 11 -2.714 -2.445 0.871 90 HB ILE 11 HB ILE 11 -1.583 -0.035 2.298 91 1HG1 ILE 11 HG12 ILE 11 -1.182 -2.990 2.814 92 2HG1 ILE 11 HG11 ILE 11 0.054 -1.835 2.317 93 1HG2 ILE 11 HG21 ILE 11 -3.061 -1.800 3.973 94 2HG2 ILE 11 HG22 ILE 11 -4.038 -1.418 2.555 95 3HG2 ILE 11 HG23 ILE 11 -3.403 -0.119 3.565 96 1HD1 ILE 11 HD11 ILE 11 0.528 -1.533 4.454 97 2HD1 ILE 11 HD12 ILE 11 -0.846 -2.521 4.948 98 3HD1 ILE 11 HD13 ILE 11 -1.060 -0.794 4.662 99 H THR 12 HN THR 12 -1.766 0.664 -0.422 100 HA THR 12 HA THR 12 -4.311 1.917 -0.248 101 HB THR 12 HB THR 12 -3.131 3.163 -2.372 102 HG1 THR 12 HG1 THR 12 -0.838 3.026 -1.012 103 1HG2 THR 12 HG21 THR 12 -2.771 3.552 0.590 104 2HG2 THR 12 HG22 THR 12 -3.858 4.407 -0.505 105 3HG2 THR 12 HG23 THR 12 -2.118 4.684 -0.594 106 H ASN 13 HN ASN 13 -3.569 -0.788 -1.850 107 HA ASN 13 HA ASN 13 -5.008 -0.178 -4.314 108 1HB ASN 13 HB2 ASN 13 -3.326 -2.472 -3.370 109 2HB ASN 13 HB1 ASN 13 -4.461 -2.716 -4.694 110 1HD2 ASN 13 HD21 ASN 13 -1.386 -1.723 -3.849 111 2HD2 ASN 13 HD22 ASN 13 -0.930 -0.983 -5.342 112 H TRP 14 HN TRP 14 -5.236 -2.338 -1.499 113 HA TRP 14 HA TRP 14 -7.945 -3.083 -2.301 114 1HB TRP 14 HB2 TRP 14 -7.701 -4.546 -0.137 115 2HB TRP 14 HB1 TRP 14 -6.912 -5.034 -1.630 116 HD1 TRP 14 HD1 TRP 14 -4.196 -4.362 -1.766 117 HE1 TRP 14 HE1 TRP 14 -2.446 -4.439 0.109 118 HE3 TRP 14 HE3 TRP 14 -7.330 -4.300 2.269 119 HZ2 TRP 14 HZ2 TRP 14 -2.397 -4.475 2.933 120 HZ3 TRP 14 HZ3 TRP 14 -6.352 -4.360 4.525 121 HH2 TRP 14 HH2 TRP 14 -3.934 -4.445 4.848 122 H LEU 15 HN LEU 15 -6.210 -1.512 0.348 123 HA LEU 15 HA LEU 15 -8.384 -1.102 2.055 124 1HB LEU 15 HB2 LEU 15 -6.931 0.059 3.320 125 2HB LEU 15 HB1 LEU 15 -5.739 -0.536 2.184 126 HG LEU 15 HG LEU 15 -6.350 1.688 0.897 127 1HD1 LEU 15 HD11 LEU 15 -7.983 2.015 3.043 128 2HD1 LEU 15 HD12 LEU 15 -7.347 3.329 2.052 129 3HD1 LEU 15 HD13 LEU 15 -6.543 2.894 3.560 130 1HD2 LEU 15 HD21 LEU 15 -4.169 0.890 1.996 131 2HD2 LEU 15 HD22 LEU 15 -4.636 1.930 3.341 132 3HD2 LEU 15 HD23 LEU 15 -4.388 2.621 1.738 133 H TRP 16 HN TRP 16 -7.248 0.692 -0.745 134 HA TRP 16 HA TRP 16 -8.956 2.928 -0.473 135 1HB TRP 16 HB2 TRP 16 -6.993 2.032 -2.308 136 2HB TRP 16 HB1 TRP 16 -8.459 2.312 -3.242 137 HD1 TRP 16 HD1 TRP 16 -8.521 4.668 -4.203 138 HE1 TRP 16 HE1 TRP 16 -7.690 6.993 -3.477 139 HE3 TRP 16 HE3 TRP 16 -6.394 3.411 0.274 140 HZ2 TRP 16 HZ2 TRP 16 -6.314 8.143 -1.295 141 HZ3 TRP 16 HZ3 TRP 16 -5.342 5.182 1.619 142 HH2 TRP 16 HH2 TRP 16 -5.302 7.499 0.849 143 H TYR 17 HN TYR 17 -9.356 -0.287 -1.702 144 HA TYR 17 HA TYR 17 -11.835 0.197 -3.058 145 1HB TYR 17 HB2 TYR 17 -11.035 -1.702 -3.989 146 2HB TYR 17 HB1 TYR 17 -10.025 -2.064 -2.595 147 HD1 TYR 17 HD1 TYR 17 -10.724 -3.632 -0.945 148 HD2 TYR 17 HD2 TYR 17 -13.411 -2.451 -4.025 149 HE1 TYR 17 HE1 TYR 17 -12.240 -5.463 -0.316 150 HE2 TYR 17 HE2 TYR 17 -14.935 -4.278 -3.404 151 HH TYR 17 HH TYR 17 -14.560 -6.653 -2.179 152 H ILE 18 HN ILE 18 -10.824 -0.696 0.149 153 HA ILE 18 HA ILE 18 -13.352 -1.626 1.080 154 HB ILE 18 HB ILE 18 -11.026 -0.539 2.677 155 1HG1 ILE 18 HG12 ILE 18 -11.679 -3.447 2.277 156 2HG1 ILE 18 HG11 ILE 18 -10.684 -2.581 1.111 157 1HG2 ILE 18 HG21 ILE 18 -13.194 -2.402 3.616 158 2HG2 ILE 18 HG22 ILE 18 -13.280 -0.651 3.810 159 3HG2 ILE 18 HG23 ILE 18 -11.983 -1.561 4.584 160 1HD1 ILE 18 HD11 ILE 18 -10.085 -3.361 3.912 161 2HD1 ILE 18 HD12 ILE 18 -9.337 -1.903 3.260 162 3HD1 ILE 18 HD13 ILE 18 -9.076 -3.456 2.468 163 H LYS 19 HN LYS 19 -11.578 1.430 1.563 164 HA LYS 19 HA LYS 19 -13.691 2.723 2.940 165 1HB LYS 19 HB2 LYS 19 -11.216 3.724 1.549 166 2HB LYS 19 HB1 LYS 19 -12.370 4.827 2.286 167 1HG LYS 19 HG2 LYS 19 -11.917 4.056 4.437 168 2HG LYS 19 HG1 LYS 19 -11.164 2.573 3.846 169 1HD LYS 19 HD2 LYS 19 -9.308 3.895 2.932 170 2HD LYS 19 HD1 LYS 19 -10.059 5.367 3.551 171 1HE LYS 19 HE2 LYS 19 -9.831 3.389 5.631 172 2HE LYS 19 HE1 LYS 19 -8.262 3.676 4.876 173 1HZ LYS 19 HZ1 LYS 19 -8.533 6.045 5.282 174 2HZ LYS 19 HZ2 LYS 19 -8.651 5.187 6.735 175 3HZ LYS 19 HZ3 LYS 19 -10.048 5.781 5.988 176 1HN NH2 20 HN1 LYS 19 -13.669 2.133 -0.631 177 2HN NH2 20 HN2 LYS 19 -13.388 3.812 -0.923 Start of MODEL 29 1 1H LYS 1 HT1 LYS 1 -14.963 -1.774 5.857 2 2H LYS 1 HT2 LYS 1 -16.311 -0.782 6.105 3 3H LYS 1 HT3 LYS 1 -14.795 -0.091 5.814 4 HA LYS 1 HA LYS 1 -16.562 -1.518 3.931 5 1HB LYS 1 HB2 LYS 1 -16.172 1.147 4.535 6 2HB LYS 1 HB1 LYS 1 -15.151 0.919 3.121 7 1HG LYS 1 HG2 LYS 1 -17.556 -0.355 2.505 8 2HG LYS 1 HG1 LYS 1 -18.009 1.155 3.298 9 1HD LYS 1 HD2 LYS 1 -16.536 2.379 1.743 10 2HD LYS 1 HD1 LYS 1 -16.164 0.858 0.928 11 1HE LYS 1 HE2 LYS 1 -18.652 0.609 0.545 12 2HE LYS 1 HE1 LYS 1 -18.812 2.278 1.089 13 1HZ LYS 1 HZ1 LYS 1 -17.491 3.029 -0.715 14 2HZ LYS 1 HZ2 LYS 1 -18.651 1.984 -1.365 15 3HZ LYS 1 HZ3 LYS 1 -17.059 1.453 -1.157 16 H TRP 2 HN TRP 2 -15.464 -1.122 1.603 17 HA TRP 2 HA TRP 2 -13.009 -2.688 1.705 18 1HB TRP 2 HB2 TRP 2 -13.421 -3.269 -0.547 19 2HB TRP 2 HB1 TRP 2 -15.007 -3.257 0.213 20 HD1 TRP 2 HD1 TRP 2 -16.656 -1.198 -0.433 21 HE1 TRP 2 HE1 TRP 2 -16.739 0.294 -2.529 22 HE3 TRP 2 HE3 TRP 2 -11.999 -2.162 -2.307 23 HZ2 TRP 2 HZ2 TRP 2 -15.053 0.969 -4.690 24 HZ3 TRP 2 HZ3 TRP 2 -11.311 -1.054 -4.392 25 HH2 TRP 2 HH2 TRP 2 -12.809 0.480 -5.558 26 H ALA 3 HN ALA 3 -13.768 0.504 1.687 27 HA ALA 3 HA ALA 3 -11.841 1.446 -0.225 28 1HB ALA 3 HB1 ALA 3 -13.487 2.824 1.880 29 2HB ALA 3 HB2 ALA 3 -13.695 2.863 0.129 30 3HB ALA 3 HB3 ALA 3 -12.318 3.676 0.872 31 H SER 4 HN SER 4 -10.943 -0.353 2.002 32 HA SER 4 HA SER 4 -8.775 1.385 2.935 33 1HB SER 4 HB2 SER 4 -9.799 -0.764 4.749 34 2HB SER 4 HB1 SER 4 -8.911 0.709 5.146 35 HG SER 4 HG SER 4 -11.110 0.872 5.730 36 H LEU 5 HN LEU 5 -9.252 -0.857 0.885 37 HA LEU 5 HA LEU 5 -7.150 -2.696 1.779 38 1HB LEU 5 HB2 LEU 5 -7.780 -4.088 -0.149 39 2HB LEU 5 HB1 LEU 5 -9.119 -3.810 0.945 40 HG LEU 5 HG LEU 5 -9.649 -1.851 -0.769 41 1HD1 LEU 5 HD11 LEU 5 -7.480 -2.758 -2.022 42 2HD1 LEU 5 HD12 LEU 5 -8.861 -2.083 -2.886 43 3HD1 LEU 5 HD13 LEU 5 -8.678 -3.831 -2.746 44 1HD2 LEU 5 HD21 LEU 5 -10.844 -3.822 -2.121 45 2HD2 LEU 5 HD22 LEU 5 -11.382 -3.291 -0.527 46 3HD2 LEU 5 HD23 LEU 5 -10.361 -4.720 -0.683 47 H TRP 6 HN TRP 6 -7.762 -0.041 -0.258 48 HA TRP 6 HA TRP 6 -5.456 -0.504 -1.964 49 1HB TRP 6 HB2 TRP 6 -6.215 1.255 -3.278 50 2HB TRP 6 HB1 TRP 6 -7.727 0.638 -2.620 51 HD1 TRP 6 HD1 TRP 6 -9.058 2.196 -0.931 52 HE1 TRP 6 HE1 TRP 6 -8.850 4.687 -0.321 53 HE3 TRP 6 HE3 TRP 6 -4.467 3.151 -2.968 54 HZ2 TRP 6 HZ2 TRP 6 -6.986 6.781 -0.656 55 HZ3 TRP 6 HZ3 TRP 6 -3.541 5.423 -2.777 56 HH2 TRP 6 HH2 TRP 6 -4.777 7.200 -1.647 57 H ASN 7 HN ASN 7 -6.334 1.117 0.921 58 HA ASN 7 HA ASN 7 -4.544 3.206 1.103 59 1HB ASN 7 HB2 ASN 7 -5.755 1.379 3.155 60 2HB ASN 7 HB1 ASN 7 -4.617 2.635 3.632 61 1HD2 ASN 7 HD21 ASN 7 -5.139 4.829 2.799 62 2HD2 ASN 7 HD22 ASN 7 -6.796 5.314 2.811 63 H TRP 8 HN TRP 8 -3.964 -0.196 1.357 64 HA TRP 8 HA TRP 8 -1.194 0.304 2.194 65 1HB TRP 8 HB2 TRP 8 -1.206 -1.677 3.298 66 2HB TRP 8 HB1 TRP 8 -2.949 -1.437 3.270 67 HD1 TRP 8 HD1 TRP 8 -4.380 -3.031 1.695 68 HE1 TRP 8 HE1 TRP 8 -3.824 -5.255 0.515 69 HE3 TRP 8 HE3 TRP 8 0.698 -2.916 2.128 70 HZ2 TRP 8 HZ2 TRP 8 -1.520 -6.759 -0.143 71 HZ3 TRP 8 HZ3 TRP 8 2.009 -4.770 1.202 72 HH2 TRP 8 HH2 TRP 8 0.925 -6.658 0.088 73 H PHE 9 HN PHE 9 -3.157 -0.839 -0.416 74 HA PHE 9 HA PHE 9 -1.227 -2.312 -1.837 75 1HB PHE 9 HB2 PHE 9 -3.894 -1.524 -2.231 76 2HB PHE 9 HB1 PHE 9 -3.006 -0.891 -3.613 77 HD1 PHE 9 HD1 PHE 9 -2.037 -2.362 -5.242 78 HD2 PHE 9 HD2 PHE 9 -4.014 -3.917 -1.810 79 HE1 PHE 9 HE1 PHE 9 -2.082 -4.591 -6.283 80 HE2 PHE 9 HE2 PHE 9 -4.061 -6.149 -2.843 81 HZ PHE 9 HZ PHE 9 -3.095 -6.489 -5.082 82 H ASN 10 HN ASN 10 -1.739 1.085 -1.422 83 HA ASN 10 HA ASN 10 0.020 1.803 -3.620 84 1HB ASN 10 HB2 ASN 10 -0.494 4.097 -3.067 85 2HB ASN 10 HB1 ASN 10 -1.995 3.176 -3.061 86 1HD2 ASN 10 HD21 ASN 10 0.478 4.612 -1.027 87 2HD2 ASN 10 HD22 ASN 10 -0.510 4.774 0.381 88 H ILE 11 HN ILE 11 0.318 0.848 -0.444 89 HA ILE 11 HA ILE 11 2.624 2.460 0.227 90 HB ILE 11 HB ILE 11 1.564 0.033 1.678 91 1HG1 ILE 11 HG12 ILE 11 0.877 2.963 1.984 92 2HG1 ILE 11 HG11 ILE 11 -0.217 1.659 1.530 93 1HG2 ILE 11 HG21 ILE 11 3.202 0.345 3.146 94 2HG2 ILE 11 HG22 ILE 11 2.816 2.059 3.298 95 3HG2 ILE 11 HG23 ILE 11 3.907 1.510 2.025 96 1HD1 ILE 11 HD11 ILE 11 0.886 0.921 3.998 97 2HD1 ILE 11 HD12 ILE 11 -0.761 1.455 3.662 98 3HD1 ILE 11 HD13 ILE 11 0.469 2.629 4.130 99 H THR 12 HN THR 12 1.951 -0.683 -1.113 100 HA THR 12 HA THR 12 4.450 -1.904 -0.647 101 HB THR 12 HB THR 12 3.496 -2.903 -3.095 102 HG1 THR 12 HG1 THR 12 1.333 -2.530 -1.284 103 1HG2 THR 12 HG21 THR 12 3.870 -4.738 -1.892 104 2HG2 THR 12 HG22 THR 12 2.412 -4.413 -0.955 105 3HG2 THR 12 HG23 THR 12 3.965 -3.771 -0.420 106 H ASN 13 HN ASN 13 3.850 0.831 -2.372 107 HA ASN 13 HA ASN 13 5.749 0.302 -4.516 108 1HB ASN 13 HB2 ASN 13 3.811 2.490 -3.893 109 2HB ASN 13 HB1 ASN 13 5.186 2.856 -4.931 110 1HD2 ASN 13 HD21 ASN 13 2.574 0.500 -4.523 111 2HD2 ASN 13 HD22 ASN 13 2.300 0.254 -6.211 112 H TRP 14 HN TRP 14 5.429 2.440 -1.689 113 HA TRP 14 HA TRP 14 8.209 3.272 -2.038 114 1HB TRP 14 HB2 TRP 14 7.590 4.742 0.028 115 2HB TRP 14 HB1 TRP 14 7.002 5.185 -1.568 116 HD1 TRP 14 HD1 TRP 14 4.354 4.304 -2.064 117 HE1 TRP 14 HE1 TRP 14 2.359 4.391 -0.451 118 HE3 TRP 14 HE3 TRP 14 6.901 4.664 2.351 119 HZ2 TRP 14 HZ2 TRP 14 1.918 4.594 2.333 120 HZ3 TRP 14 HZ3 TRP 14 5.619 4.805 4.445 121 HH2 TRP 14 HH2 TRP 14 3.177 4.771 4.435 122 H LEU 15 HN LEU 15 6.118 1.644 0.306 123 HA LEU 15 HA LEU 15 7.979 1.312 2.354 124 1HB LEU 15 HB2 LEU 15 6.403 0.038 3.341 125 2HB LEU 15 HB1 LEU 15 5.391 0.623 2.037 126 HG LEU 15 HG LEU 15 6.276 -1.536 0.813 127 1HD1 LEU 15 HD11 LEU 15 7.717 -1.941 2.964 128 2HD1 LEU 15 HD12 LEU 15 6.956 -3.291 2.118 129 3HD1 LEU 15 HD13 LEU 15 6.215 -2.636 3.578 130 1HD2 LEU 15 HD21 LEU 15 4.215 -1.835 2.979 131 2HD2 LEU 15 HD22 LEU 15 4.272 -2.629 1.406 132 3HD2 LEU 15 HD23 LEU 15 3.925 -0.903 1.510 133 H TRP 16 HN TRP 16 7.482 -0.464 -0.625 134 HA TRP 16 HA TRP 16 9.204 -2.636 -0.067 135 1HB TRP 16 HB2 TRP 16 7.552 -1.838 -2.191 136 2HB TRP 16 HB1 TRP 16 9.172 -1.914 -2.874 137 HD1 TRP 16 HD1 TRP 16 9.704 -4.197 -3.864 138 HE1 TRP 16 HE1 TRP 16 9.000 -6.630 -3.404 139 HE3 TRP 16 HE3 TRP 16 6.608 -3.407 0.128 140 HZ2 TRP 16 HZ2 TRP 16 7.349 -8.029 -1.591 141 HZ3 TRP 16 HZ3 TRP 16 5.504 -5.346 1.166 142 HH2 TRP 16 HH2 TRP 16 5.867 -7.608 0.322 143 H TYR 17 HN TYR 17 9.671 0.595 -1.287 144 HA TYR 17 HA TYR 17 12.369 0.270 -2.133 145 1HB TYR 17 HB2 TYR 17 11.597 2.169 -3.116 146 2HB TYR 17 HB1 TYR 17 10.434 2.477 -1.832 147 HD1 TYR 17 HD1 TYR 17 13.980 2.892 -2.816 148 HD2 TYR 17 HD2 TYR 17 10.905 4.035 -0.107 149 HE1 TYR 17 HE1 TYR 17 15.408 4.706 -1.967 150 HE2 TYR 17 HE2 TYR 17 12.324 5.851 0.749 151 HH TYR 17 HH TYR 17 14.524 6.587 0.834 152 H ILE 18 HN ILE 18 10.781 0.979 0.876 153 HA ILE 18 HA ILE 18 13.114 1.896 2.264 154 HB ILE 18 HB ILE 18 10.530 0.840 3.424 155 1HG1 ILE 18 HG12 ILE 18 11.207 3.749 3.090 156 2HG1 ILE 18 HG11 ILE 18 10.472 2.851 1.766 157 1HG2 ILE 18 HG21 ILE 18 12.809 1.249 4.766 158 2HG2 ILE 18 HG22 ILE 18 11.216 1.542 5.463 159 3HG2 ILE 18 HG23 ILE 18 12.153 2.885 4.810 160 1HD1 ILE 18 HD11 ILE 18 8.685 3.860 2.866 161 2HD1 ILE 18 HD12 ILE 18 9.333 3.479 4.462 162 3HD1 ILE 18 HD13 ILE 18 8.671 2.196 3.448 163 H LYS 19 HN LYS 19 11.413 -1.172 1.920 164 HA LYS 19 HA LYS 19 13.118 -2.534 3.806 165 1HB LYS 19 HB2 LYS 19 10.634 -3.062 2.489 166 2HB LYS 19 HB1 LYS 19 11.736 -4.392 2.161 167 1HG LYS 19 HG2 LYS 19 12.140 -4.141 4.792 168 2HG LYS 19 HG1 LYS 19 10.481 -3.548 4.694 169 1HD LYS 19 HD2 LYS 19 10.791 -5.912 3.087 170 2HD LYS 19 HD1 LYS 19 11.350 -6.217 4.732 171 1HE LYS 19 HE2 LYS 19 9.222 -5.342 5.599 172 2HE LYS 19 HE1 LYS 19 8.666 -5.086 3.944 173 1HZ LYS 19 HZ1 LYS 19 8.856 -7.474 3.555 174 2HZ LYS 19 HZ2 LYS 19 7.806 -7.159 4.844 175 3HZ LYS 19 HZ3 LYS 19 9.375 -7.714 5.148 176 1HN NH2 20 HN1 LYS 19 13.453 -2.821 -0.092 177 2HN NH2 20 HN2 LYS 19 14.530 -1.697 0.658 Start of MODEL 30 1 1H LYS 1 HT1 LYS 1 -18.130 0.802 3.893 2 2H LYS 1 HT2 LYS 1 -16.486 1.089 4.173 3 3H LYS 1 HT3 LYS 1 -17.113 -0.471 4.351 4 HA LYS 1 HA LYS 1 -17.690 -0.458 1.955 5 1HB LYS 1 HB2 LYS 1 -17.570 2.110 1.969 6 2HB LYS 1 HB1 LYS 1 -15.829 1.910 1.829 7 1HG LYS 1 HG2 LYS 1 -15.961 1.493 -0.348 8 2HG LYS 1 HG1 LYS 1 -17.259 0.319 -0.124 9 1HD LYS 1 HD2 LYS 1 -18.595 2.624 0.331 10 2HD LYS 1 HD1 LYS 1 -17.384 3.179 -0.827 11 1HE LYS 1 HE2 LYS 1 -18.218 0.840 -1.960 12 2HE LYS 1 HE1 LYS 1 -19.702 1.428 -1.212 13 1HZ LYS 1 HZ1 LYS 1 -18.037 3.202 -2.885 14 2HZ LYS 1 HZ2 LYS 1 -19.675 3.351 -2.488 15 3HZ LYS 1 HZ3 LYS 1 -19.176 2.164 -3.584 16 H TRP 2 HN TRP 2 -15.970 -1.008 0.286 17 HA TRP 2 HA TRP 2 -13.928 -2.559 1.595 18 1HB TRP 2 HB2 TRP 2 -13.397 -3.331 -0.713 19 2HB TRP 2 HB1 TRP 2 -15.090 -3.546 -0.280 20 HD1 TRP 2 HD1 TRP 2 -16.892 -2.135 -1.623 21 HE1 TRP 2 HE1 TRP 2 -16.766 -0.765 -3.798 22 HE3 TRP 2 HE3 TRP 2 -11.812 -1.799 -2.078 23 HZ2 TRP 2 HZ2 TRP 2 -14.772 0.314 -5.485 24 HZ3 TRP 2 HZ3 TRP 2 -10.876 -0.582 -3.999 25 HH2 TRP 2 HH2 TRP 2 -12.327 0.452 -5.668 26 H ALA 3 HN ALA 3 -13.941 0.564 1.196 27 HA ALA 3 HA ALA 3 -11.536 1.062 -0.278 28 1HB ALA 3 HB1 ALA 3 -13.593 2.629 0.373 29 2HB ALA 3 HB2 ALA 3 -11.991 3.265 0.002 30 3HB ALA 3 HB3 ALA 3 -12.493 3.063 1.680 31 H SER 4 HN SER 4 -11.369 -0.856 1.974 32 HA SER 4 HA SER 4 -9.320 0.521 3.578 33 1HB SER 4 HB2 SER 4 -11.055 -1.831 4.368 34 2HB SER 4 HB1 SER 4 -9.791 -1.115 5.367 35 HG SER 4 HG SER 4 -10.984 0.803 5.417 36 H LEU 5 HN LEU 5 -9.080 -0.861 0.967 37 HA LEU 5 HA LEU 5 -7.058 -2.838 1.776 38 1HB LEU 5 HB2 LEU 5 -7.615 -4.170 -0.214 39 2HB LEU 5 HB1 LEU 5 -8.949 -4.065 0.918 40 HG LEU 5 HG LEU 5 -9.610 -2.026 -0.699 41 1HD1 LEU 5 HD11 LEU 5 -8.184 -3.996 -2.481 42 2HD1 LEU 5 HD12 LEU 5 -7.683 -2.335 -2.163 43 3HD1 LEU 5 HD13 LEU 5 -9.192 -2.653 -3.019 44 1HD2 LEU 5 HD21 LEU 5 -11.149 -3.744 -0.170 45 2HD2 LEU 5 HD22 LEU 5 -10.193 -4.960 -1.018 46 3HD2 LEU 5 HD23 LEU 5 -11.035 -3.706 -1.929 47 H TRP 6 HN TRP 6 -7.446 0.100 0.513 48 HA TRP 6 HA TRP 6 -5.338 -0.244 -1.511 49 1HB TRP 6 HB2 TRP 6 -6.179 1.553 -2.708 50 2HB TRP 6 HB1 TRP 6 -7.652 0.840 -2.065 51 HD1 TRP 6 HD1 TRP 6 -9.099 2.305 -0.437 52 HE1 TRP 6 HE1 TRP 6 -8.965 4.755 0.341 53 HE3 TRP 6 HE3 TRP 6 -4.406 3.438 -2.122 54 HZ2 TRP 6 HZ2 TRP 6 -7.115 6.886 0.251 55 HZ3 TRP 6 HZ3 TRP 6 -3.528 5.702 -1.733 56 HH2 TRP 6 HH2 TRP 6 -4.856 7.392 -0.573 57 H ASN 7 HN ASN 7 -6.246 1.471 1.404 58 HA ASN 7 HA ASN 7 -4.291 3.437 1.494 59 1HB ASN 7 HB2 ASN 7 -5.122 1.916 3.952 60 2HB ASN 7 HB1 ASN 7 -4.737 3.627 3.797 61 1HD2 ASN 7 HD21 ASN 7 -7.140 1.184 3.394 62 2HD2 ASN 7 HD22 ASN 7 -8.470 2.246 3.091 63 H TRP 8 HN TRP 8 -3.974 0.042 1.789 64 HA TRP 8 HA TRP 8 -1.225 0.310 2.799 65 1HB TRP 8 HB2 TRP 8 -1.466 -1.666 3.888 66 2HB TRP 8 HB1 TRP 8 -3.182 -1.298 3.754 67 HD1 TRP 8 HD1 TRP 8 -4.601 -2.710 1.975 68 HE1 TRP 8 HE1 TRP 8 -4.138 -4.966 0.813 69 HE3 TRP 8 HE3 TRP 8 0.387 -3.082 2.930 70 HZ2 TRP 8 HZ2 TRP 8 -1.925 -6.672 0.361 71 HZ3 TRP 8 HZ3 TRP 8 1.612 -5.037 2.104 72 HH2 TRP 8 HH2 TRP 8 0.483 -6.803 0.844 73 H PHE 9 HN PHE 9 -3.189 -0.754 0.138 74 HA PHE 9 HA PHE 9 -1.331 -2.335 -1.237 75 1HB PHE 9 HB2 PHE 9 -3.911 -1.666 -1.667 76 2HB PHE 9 HB1 PHE 9 -3.132 -0.634 -2.862 77 HD1 PHE 9 HD1 PHE 9 -4.249 -3.932 -2.082 78 HD2 PHE 9 HD2 PHE 9 -1.568 -1.722 -4.537 79 HE1 PHE 9 HE1 PHE 9 -4.079 -5.849 -3.614 80 HE2 PHE 9 HE2 PHE 9 -1.392 -3.635 -6.075 81 HZ PHE 9 HZ PHE 9 -2.649 -5.703 -5.614 82 H ASN 10 HN ASN 10 -1.613 1.098 -0.864 83 HA ASN 10 HA ASN 10 0.243 1.660 -3.022 84 1HB ASN 10 HB2 ASN 10 -0.483 3.805 -2.906 85 2HB ASN 10 HB1 ASN 10 -1.809 3.108 -1.982 86 1HD2 ASN 10 HD21 ASN 10 -1.345 2.906 0.410 87 2HD2 ASN 10 HD22 ASN 10 -0.570 4.256 1.160 88 H ILE 11 HN ILE 11 0.326 0.920 0.270 89 HA ILE 11 HA ILE 11 2.711 2.325 0.978 90 HB ILE 11 HB ILE 11 1.492 -0.093 2.319 91 1HG1 ILE 11 HG12 ILE 11 1.077 2.867 2.791 92 2HG1 ILE 11 HG11 ILE 11 -0.125 1.720 2.200 93 1HG2 ILE 11 HG21 ILE 11 3.952 1.135 2.745 94 2HG2 ILE 11 HG22 ILE 11 3.120 0.024 3.834 95 3HG2 ILE 11 HG23 ILE 11 2.907 1.766 4.018 96 1HD1 ILE 11 HD11 ILE 11 0.948 2.094 4.951 97 2HD1 ILE 11 HD12 ILE 11 0.344 0.510 4.463 98 3HD1 ILE 11 HD13 ILE 11 -0.718 1.918 4.402 99 H THR 12 HN THR 12 1.972 -0.853 -0.312 100 HA THR 12 HA THR 12 4.559 -1.976 0.065 101 HB THR 12 HB THR 12 3.568 -3.348 -2.077 102 HG1 THR 12 HG1 THR 12 1.380 -3.341 -2.011 103 1HG2 THR 12 HG21 THR 12 3.980 -3.785 0.634 104 2HG2 THR 12 HG22 THR 12 3.563 -5.002 -0.574 105 3HG2 THR 12 HG23 THR 12 2.293 -4.229 0.375 106 H ASN 13 HN ASN 13 3.816 0.639 -1.652 107 HA ASN 13 HA ASN 13 5.422 0.004 -4.008 108 1HB ASN 13 HB2 ASN 13 3.211 1.717 -3.532 109 2HB ASN 13 HB1 ASN 13 4.581 2.744 -3.944 110 1HD2 ASN 13 HD21 ASN 13 2.533 0.130 -5.026 111 2HD2 ASN 13 HD22 ASN 13 2.904 0.276 -6.706 112 H TRP 14 HN TRP 14 5.307 2.439 -1.395 113 HA TRP 14 HA TRP 14 8.011 3.274 -2.049 114 1HB TRP 14 HB2 TRP 14 7.609 4.769 0.050 115 2HB TRP 14 HB1 TRP 14 6.796 5.151 -1.461 116 HD1 TRP 14 HD1 TRP 14 4.131 4.501 -1.583 117 HE1 TRP 14 HE1 TRP 14 2.374 4.423 0.285 118 HE3 TRP 14 HE3 TRP 14 7.249 4.248 2.454 119 HZ2 TRP 14 HZ2 TRP 14 2.316 4.279 3.108 120 HZ3 TRP 14 HZ3 TRP 14 6.267 4.145 4.704 121 HH2 TRP 14 HH2 TRP 14 3.847 4.160 5.023 122 H LEU 15 HN LEU 15 6.303 1.622 0.576 123 HA LEU 15 HA LEU 15 8.462 1.400 2.344 124 1HB LEU 15 HB2 LEU 15 7.055 0.180 3.608 125 2HB LEU 15 HB1 LEU 15 5.855 0.671 2.432 126 HG LEU 15 HG LEU 15 6.611 -1.533 1.210 127 1HD1 LEU 15 HD11 LEU 15 7.067 -2.353 4.057 128 2HD1 LEU 15 HD12 LEU 15 8.399 -1.867 3.008 129 3HD1 LEU 15 HD13 LEU 15 7.397 -3.254 2.577 130 1HD2 LEU 15 HD21 LEU 15 4.815 -2.723 2.355 131 2HD2 LEU 15 HD22 LEU 15 4.358 -1.054 2.019 132 3HD2 LEU 15 HD23 LEU 15 4.839 -1.526 3.649 133 H TRP 16 HN TRP 16 7.455 -0.605 -0.376 134 HA TRP 16 HA TRP 16 9.365 -2.661 -0.005 135 1HB TRP 16 HB2 TRP 16 7.261 -2.117 -1.791 136 2HB TRP 16 HB1 TRP 16 8.704 -2.252 -2.790 137 HD1 TRP 16 HD1 TRP 16 9.253 -4.628 -3.529 138 HE1 TRP 16 HE1 TRP 16 8.685 -7.001 -2.706 139 HE3 TRP 16 HE3 TRP 16 6.657 -3.417 0.701 140 HZ2 TRP 16 HZ2 TRP 16 7.314 -8.199 -0.548 141 HZ3 TRP 16 HZ3 TRP 16 5.748 -5.233 2.091 142 HH2 TRP 16 HH2 TRP 16 6.070 -7.574 1.477 143 H TYR 17 HN TYR 17 9.452 0.488 -1.451 144 HA TYR 17 HA TYR 17 11.924 0.100 -2.861 145 1HB TYR 17 HB2 TYR 17 10.981 1.857 -3.916 146 2HB TYR 17 HB1 TYR 17 9.923 2.208 -2.555 147 HD1 TYR 17 HD1 TYR 17 13.194 2.909 -4.085 148 HD2 TYR 17 HD2 TYR 17 10.508 3.893 -0.935 149 HE1 TYR 17 HE1 TYR 17 14.511 4.929 -3.599 150 HE2 TYR 17 HE2 TYR 17 11.818 5.915 -0.442 151 HH TYR 17 HH TYR 17 13.620 7.108 -0.938 152 H ILE 18 HN ILE 18 10.961 0.886 0.332 153 HA ILE 18 HA ILE 18 13.386 2.201 1.130 154 HB ILE 18 HB ILE 18 11.135 1.007 2.755 155 1HG1 ILE 18 HG12 ILE 18 11.756 3.928 2.539 156 2HG1 ILE 18 HG11 ILE 18 10.898 3.136 1.221 157 1HG2 ILE 18 HG21 ILE 18 13.703 2.259 3.562 158 2HG2 ILE 18 HG22 ILE 18 12.768 0.983 4.343 159 3HG2 ILE 18 HG23 ILE 18 12.259 2.665 4.492 160 1HD1 ILE 18 HD11 ILE 18 9.537 2.296 3.461 161 2HD1 ILE 18 HD12 ILE 18 9.047 3.584 2.361 162 3HD1 ILE 18 HD13 ILE 18 9.947 3.971 3.828 163 H LYS 19 HN LYS 19 12.003 -1.043 1.576 164 HA LYS 19 HA LYS 19 14.409 -1.983 2.887 165 1HB LYS 19 HB2 LYS 19 13.243 -4.055 3.199 166 2HB LYS 19 HB1 LYS 19 12.129 -2.746 3.564 167 1HG LYS 19 HG2 LYS 19 11.476 -3.079 1.021 168 2HG LYS 19 HG1 LYS 19 12.099 -4.701 1.335 169 1HD LYS 19 HD2 LYS 19 10.281 -3.611 3.385 170 2HD LYS 19 HD1 LYS 19 9.548 -3.938 1.814 171 1HE LYS 19 HE2 LYS 19 9.813 -5.777 3.770 172 2HE LYS 19 HE1 LYS 19 9.727 -6.170 2.053 173 1HZ LYS 19 HZ1 LYS 19 12.272 -5.736 3.531 174 2HZ LYS 19 HZ2 LYS 19 12.101 -6.303 1.946 175 3HZ LYS 19 HZ3 LYS 19 11.593 -7.261 3.246 176 1HN NH2 20 HN1 LYS 19 13.336 -1.798 -0.422 177 2HN NH2 20 HN2 LYS 19 13.958 -3.320 -0.955 Start of MODEL 31 1 1H LYS 1 HT1 LYS 1 -17.846 0.458 4.670 2 2H LYS 1 HT2 LYS 1 -16.999 -1.006 4.632 3 3H LYS 1 HT3 LYS 1 -18.495 -0.874 3.853 4 HA LYS 1 HA LYS 1 -17.609 -0.069 2.011 5 1HB LYS 1 HB2 LYS 1 -17.394 2.065 3.417 6 2HB LYS 1 HB1 LYS 1 -15.702 1.632 3.613 7 1HG LYS 1 HG2 LYS 1 -15.832 3.188 1.832 8 2HG LYS 1 HG1 LYS 1 -15.510 1.607 1.117 9 1HD LYS 1 HD2 LYS 1 -17.409 1.658 -0.055 10 2HD LYS 1 HD1 LYS 1 -18.351 2.117 1.365 11 1HE LYS 1 HE2 LYS 1 -17.812 4.434 1.044 12 2HE LYS 1 HE1 LYS 1 -16.687 4.038 -0.254 13 1HZ LYS 1 HZ1 LYS 1 -18.706 4.802 -1.221 14 2HZ LYS 1 HZ2 LYS 1 -19.639 3.739 -0.293 15 3HZ LYS 1 HZ3 LYS 1 -18.618 3.134 -1.498 16 H TRP 2 HN TRP 2 -15.993 -0.700 0.615 17 HA TRP 2 HA TRP 2 -14.019 -2.517 1.736 18 1HB TRP 2 HB2 TRP 2 -13.630 -3.155 -0.636 19 2HB TRP 2 HB1 TRP 2 -15.312 -3.329 -0.145 20 HD1 TRP 2 HD1 TRP 2 -17.076 -1.548 -1.164 21 HE1 TRP 2 HE1 TRP 2 -16.990 -0.121 -3.304 22 HE3 TRP 2 HE3 TRP 2 -12.076 -1.892 -2.172 23 HZ2 TRP 2 HZ2 TRP 2 -15.058 0.743 -5.173 24 HZ3 TRP 2 HZ3 TRP 2 -11.189 -0.739 -4.154 25 HH2 TRP 2 HH2 TRP 2 -12.649 0.552 -5.623 26 H ALA 3 HN ALA 3 -13.867 0.527 1.792 27 HA ALA 3 HA ALA 3 -11.595 1.169 0.150 28 1HB ALA 3 HB1 ALA 3 -12.901 3.029 0.493 29 2HB ALA 3 HB2 ALA 3 -11.649 3.264 1.713 30 3HB ALA 3 HB3 ALA 3 -13.226 2.624 2.179 31 H SER 4 HN SER 4 -11.271 -1.063 2.018 32 HA SER 4 HA SER 4 -9.063 0.021 3.638 33 1HB SER 4 HB2 SER 4 -9.477 -1.644 5.317 34 2HB SER 4 HB1 SER 4 -11.008 -0.837 4.976 35 HG SER 4 HG SER 4 -10.195 -3.442 4.412 36 H LEU 5 HN LEU 5 -8.778 -0.788 0.946 37 HA LEU 5 HA LEU 5 -6.885 -2.984 1.325 38 1HB LEU 5 HB2 LEU 5 -7.607 -4.070 -0.753 39 2HB LEU 5 HB1 LEU 5 -8.865 -4.070 0.468 40 HG LEU 5 HG LEU 5 -9.527 -1.828 -0.899 41 1HD1 LEU 5 HD11 LEU 5 -7.570 -2.767 -2.501 42 2HD1 LEU 5 HD12 LEU 5 -8.946 -1.824 -3.073 43 3HD1 LEU 5 HD13 LEU 5 -8.972 -3.583 -3.194 44 1HD2 LEU 5 HD21 LEU 5 -11.282 -3.225 -0.576 45 2HD2 LEU 5 HD22 LEU 5 -10.356 -4.666 -0.994 46 3HD2 LEU 5 HD23 LEU 5 -10.968 -3.613 -2.268 47 H TRP 6 HN TRP 6 -7.486 0.075 0.263 48 HA TRP 6 HA TRP 6 -5.413 -0.050 -1.814 49 1HB TRP 6 HB2 TRP 6 -6.449 1.630 -2.936 50 2HB TRP 6 HB1 TRP 6 -7.853 1.086 -2.028 51 HD1 TRP 6 HD1 TRP 6 -8.949 2.792 -0.390 52 HE1 TRP 6 HE1 TRP 6 -8.464 5.239 0.243 53 HE3 TRP 6 HE3 TRP 6 -4.372 3.318 -2.610 54 HZ2 TRP 6 HZ2 TRP 6 -6.414 7.142 -0.147 55 HZ3 TRP 6 HZ3 TRP 6 -3.214 5.481 -2.431 56 HH2 TRP 6 HH2 TRP 6 -4.218 7.354 -1.227 57 H ASN 7 HN ASN 7 -6.270 1.432 1.245 58 HA ASN 7 HA ASN 7 -4.314 3.411 1.391 59 1HB ASN 7 HB2 ASN 7 -4.988 1.860 3.850 60 2HB ASN 7 HB1 ASN 7 -4.848 3.601 3.626 61 1HD2 ASN 7 HD21 ASN 7 -6.952 1.111 4.095 62 2HD2 ASN 7 HD22 ASN 7 -8.406 1.870 3.552 63 H TRP 8 HN TRP 8 -3.984 0.015 1.450 64 HA TRP 8 HA TRP 8 -1.235 0.230 2.482 65 1HB TRP 8 HB2 TRP 8 -1.469 -1.790 3.486 66 2HB TRP 8 HB1 TRP 8 -3.188 -1.433 3.365 67 HD1 TRP 8 HD1 TRP 8 -4.607 -2.823 1.591 68 HE1 TRP 8 HE1 TRP 8 -4.115 -4.998 0.299 69 HE3 TRP 8 HE3 TRP 8 0.424 -3.100 2.374 70 HZ2 TRP 8 HZ2 TRP 8 -1.878 -6.614 -0.308 71 HZ3 TRP 8 HZ3 TRP 8 1.671 -4.980 1.408 72 HH2 TRP 8 HH2 TRP 8 0.546 -6.706 0.094 73 H PHE 9 HN PHE 9 -3.213 -0.780 -0.213 74 HA PHE 9 HA PHE 9 -1.289 -2.253 -1.633 75 1HB PHE 9 HB2 PHE 9 -3.940 -1.312 -2.079 76 2HB PHE 9 HB1 PHE 9 -2.969 -0.861 -3.475 77 HD1 PHE 9 HD1 PHE 9 -1.066 -3.319 -3.178 78 HD2 PHE 9 HD2 PHE 9 -5.298 -2.870 -3.283 79 HE1 PHE 9 HE1 PHE 9 -1.282 -5.603 -4.064 80 HE2 PHE 9 HE2 PHE 9 -5.520 -5.155 -4.166 81 HZ PHE 9 HZ PHE 9 -3.511 -6.525 -4.558 82 H ASN 10 HN ASN 10 -1.638 1.116 -1.083 83 HA ASN 10 HA ASN 10 0.095 1.841 -3.305 84 1HB ASN 10 HB2 ASN 10 -0.678 3.965 -3.058 85 2HB ASN 10 HB1 ASN 10 -1.971 3.172 -2.165 86 1HD2 ASN 10 HD21 ASN 10 -1.316 2.761 0.220 87 2HD2 ASN 10 HD22 ASN 10 -0.642 4.128 1.034 88 H ILE 11 HN ILE 11 0.349 0.854 -0.117 89 HA ILE 11 HA ILE 11 2.713 2.330 0.594 90 HB ILE 11 HB ILE 11 1.603 -0.151 1.909 91 1HG1 ILE 11 HG12 ILE 11 1.029 2.778 2.409 92 2HG1 ILE 11 HG11 ILE 11 -0.119 1.549 1.883 93 1HG2 ILE 11 HG21 ILE 11 3.058 0.191 3.632 94 2HG2 ILE 11 HG22 ILE 11 3.139 1.933 3.365 95 3HG2 ILE 11 HG23 ILE 11 4.030 0.837 2.309 96 1HD1 ILE 11 HD11 ILE 11 -0.286 2.207 4.284 97 2HD1 ILE 11 HD12 ILE 11 1.298 1.472 4.534 98 3HD1 ILE 11 HD13 ILE 11 -0.061 0.480 4.004 99 H THR 12 HN THR 12 1.981 -0.757 -0.867 100 HA THR 12 HA THR 12 4.521 -1.964 -0.513 101 HB THR 12 HB THR 12 3.603 -3.118 -2.807 102 HG1 THR 12 HG1 THR 12 1.730 -1.616 -2.593 103 1HG2 THR 12 HG21 THR 12 2.617 -4.833 -1.345 104 2HG2 THR 12 HG22 THR 12 2.704 -3.714 0.015 105 3HG2 THR 12 HG23 THR 12 4.185 -4.291 -0.749 106 H ASN 13 HN ASN 13 3.867 0.802 -2.090 107 HA ASN 13 HA ASN 13 5.604 0.319 -4.387 108 1HB ASN 13 HB2 ASN 13 3.456 2.152 -3.785 109 2HB ASN 13 HB1 ASN 13 4.888 3.041 -4.296 110 1HD2 ASN 13 HD21 ASN 13 2.703 0.433 -5.191 111 2HD2 ASN 13 HD22 ASN 13 2.928 0.584 -6.897 112 H TRP 14 HN TRP 14 5.445 2.401 -1.505 113 HA TRP 14 HA TRP 14 8.184 3.280 -2.005 114 1HB TRP 14 HB2 TRP 14 7.671 4.654 0.167 115 2HB TRP 14 HB1 TRP 14 7.001 5.157 -1.378 116 HD1 TRP 14 HD1 TRP 14 4.341 4.294 -1.783 117 HE1 TRP 14 HE1 TRP 14 2.426 4.270 -0.076 118 HE3 TRP 14 HE3 TRP 14 7.092 4.435 2.521 119 HZ2 TRP 14 HZ2 TRP 14 2.115 4.312 2.731 120 HZ3 TRP 14 HZ3 TRP 14 5.909 4.444 4.676 121 HH2 TRP 14 HH2 TRP 14 3.470 4.384 4.778 122 H LEU 15 HN LEU 15 6.298 1.450 0.343 123 HA LEU 15 HA LEU 15 8.330 1.110 2.254 124 1HB LEU 15 HB2 LEU 15 6.847 -0.198 3.343 125 2HB LEU 15 HB1 LEU 15 5.722 0.443 2.166 126 HG LEU 15 HG LEU 15 6.442 -1.664 0.777 127 1HD1 LEU 15 HD11 LEU 15 6.624 -3.019 3.385 128 2HD1 LEU 15 HD12 LEU 15 8.054 -2.116 2.882 129 3HD1 LEU 15 HD13 LEU 15 7.408 -3.392 1.850 130 1HD2 LEU 15 HD21 LEU 15 4.620 -1.930 3.160 131 2HD2 LEU 15 HD22 LEU 15 4.549 -2.851 1.658 132 3HD2 LEU 15 HD23 LEU 15 4.185 -1.125 1.652 133 H TRP 16 HN TRP 16 7.503 -0.651 -0.676 134 HA TRP 16 HA TRP 16 9.279 -2.818 -0.346 135 1HB TRP 16 HB2 TRP 16 7.426 -1.973 -2.275 136 2HB TRP 16 HB1 TRP 16 8.969 -2.030 -3.120 137 HD1 TRP 16 HD1 TRP 16 9.479 -4.296 -4.160 138 HE1 TRP 16 HE1 TRP 16 8.788 -6.737 -3.719 139 HE3 TRP 16 HE3 TRP 16 6.602 -3.585 0.005 140 HZ2 TRP 16 HZ2 TRP 16 7.227 -8.169 -1.853 141 HZ3 TRP 16 HZ3 TRP 16 5.543 -5.541 1.056 142 HH2 TRP 16 HH2 TRP 16 5.850 -7.786 0.145 143 H TYR 17 HN TYR 17 9.680 0.466 -1.281 144 HA TYR 17 HA TYR 17 12.289 0.131 -2.460 145 1HB TYR 17 HB2 TYR 17 11.383 1.981 -3.427 146 2HB TYR 17 HB1 TYR 17 10.358 2.328 -2.040 147 HD1 TYR 17 HD1 TYR 17 13.743 2.761 -3.450 148 HD2 TYR 17 HD2 TYR 17 11.030 3.892 -0.372 149 HE1 TYR 17 HE1 TYR 17 15.240 4.607 -2.817 150 HE2 TYR 17 HE2 TYR 17 12.520 5.742 0.268 151 HH TYR 17 HH TYR 17 14.726 6.488 0.060 152 H ILE 18 HN ILE 18 10.919 0.985 0.641 153 HA ILE 18 HA ILE 18 13.244 2.039 1.846 154 HB ILE 18 HB ILE 18 10.900 0.648 3.155 155 1HG1 ILE 18 HG12 ILE 18 11.359 3.619 2.955 156 2HG1 ILE 18 HG11 ILE 18 10.499 2.737 1.696 157 1HG2 ILE 18 HG21 ILE 18 11.956 2.551 4.889 158 2HG2 ILE 18 HG22 ILE 18 13.361 1.717 4.223 159 3HG2 ILE 18 HG23 ILE 18 12.089 0.798 5.028 160 1HD1 ILE 18 HD11 ILE 18 8.637 2.923 2.866 161 2HD1 ILE 18 HD12 ILE 18 9.513 3.754 4.153 162 3HD1 ILE 18 HD13 ILE 18 9.368 1.996 4.177 163 H LYS 19 HN LYS 19 11.734 -1.164 2.313 164 HA LYS 19 HA LYS 19 13.906 -2.270 3.716 165 1HB LYS 19 HB2 LYS 19 11.970 -3.871 2.052 166 2HB LYS 19 HB1 LYS 19 12.796 -4.356 3.526 167 1HG LYS 19 HG2 LYS 19 11.232 -2.041 4.076 168 2HG LYS 19 HG1 LYS 19 10.227 -3.231 3.247 169 1HD LYS 19 HD2 LYS 19 11.545 -4.810 5.014 170 2HD LYS 19 HD1 LYS 19 11.433 -3.306 5.930 171 1HE LYS 19 HE2 LYS 19 9.196 -3.461 6.167 172 2HE LYS 19 HE1 LYS 19 8.968 -4.130 4.550 173 1HZ LYS 19 HZ1 LYS 19 10.110 -5.712 6.787 174 2HZ LYS 19 HZ2 LYS 19 9.524 -6.283 5.307 175 3HZ LYS 19 HZ3 LYS 19 8.449 -5.667 6.458 176 1HN NH2 20 HN1 LYS 19 13.922 -1.577 0.240 177 2HN NH2 20 HN2 LYS 19 14.102 -3.230 -0.227 Start of MODEL 32 1 1H LYS 1 HT1 LYS 1 -15.531 -0.544 -5.207 2 2H LYS 1 HT2 LYS 1 -16.854 -1.577 -4.999 3 3H LYS 1 HT3 LYS 1 -15.304 -2.091 -4.558 4 HA LYS 1 HA LYS 1 -17.122 -0.251 -3.189 5 1HB LYS 1 HB2 LYS 1 -15.837 -2.791 -2.749 6 2HB LYS 1 HB1 LYS 1 -15.404 -1.677 -1.460 7 1HG LYS 1 HG2 LYS 1 -18.174 -1.391 -1.881 8 2HG LYS 1 HG1 LYS 1 -17.831 -3.122 -1.853 9 1HD LYS 1 HD2 LYS 1 -17.584 -3.074 0.356 10 2HD LYS 1 HD1 LYS 1 -16.346 -1.824 0.221 11 1HE LYS 1 HE2 LYS 1 -18.472 -1.327 1.598 12 2HE LYS 1 HE1 LYS 1 -17.877 -0.099 0.482 13 1HZ LYS 1 HZ1 LYS 1 -19.559 -0.569 -1.042 14 2HZ LYS 1 HZ2 LYS 1 -20.350 -0.611 0.453 15 3HZ LYS 1 HZ3 LYS 1 -19.940 -2.055 -0.328 16 H TRP 2 HN TRP 2 -15.885 0.549 -1.056 17 HA TRP 2 HA TRP 2 -13.950 2.457 -2.020 18 1HB TRP 2 HB2 TRP 2 -14.210 3.557 0.056 19 2HB TRP 2 HB1 TRP 2 -15.807 2.922 -0.322 20 HD1 TRP 2 HD1 TRP 2 -16.653 0.799 1.141 21 HE1 TRP 2 HE1 TRP 2 -15.995 0.016 3.504 22 HE3 TRP 2 HE3 TRP 2 -12.298 3.422 1.682 23 HZ2 TRP 2 HZ2 TRP 2 -13.904 0.453 5.352 24 HZ3 TRP 2 HZ3 TRP 2 -11.028 3.183 3.776 25 HH2 TRP 2 HH2 TRP 2 -11.815 1.729 5.571 26 H ALA 3 HN ALA 3 -13.716 -0.667 -1.055 27 HA ALA 3 HA ALA 3 -11.352 -0.510 0.573 28 1HB ALA 3 HB1 ALA 3 -12.958 -2.350 0.804 29 2HB ALA 3 HB2 ALA 3 -11.337 -2.936 0.431 30 3HB ALA 3 HB3 ALA 3 -12.568 -2.886 -0.830 31 H SER 4 HN SER 4 -11.363 0.711 -2.168 32 HA SER 4 HA SER 4 -9.312 -0.897 -3.505 33 1HB SER 4 HB2 SER 4 -9.634 0.886 -5.331 34 2HB SER 4 HB1 SER 4 -10.969 -0.231 -5.048 35 HG SER 4 HG SER 4 -11.806 1.470 -3.610 36 H LEU 5 HN LEU 5 -8.845 0.662 -1.023 37 HA LEU 5 HA LEU 5 -6.658 2.340 -2.051 38 1HB LEU 5 HB2 LEU 5 -7.016 3.775 0.009 39 2HB LEU 5 HB1 LEU 5 -8.197 3.931 -1.277 40 HG LEU 5 HG LEU 5 -9.418 2.060 0.237 41 1HD1 LEU 5 HD11 LEU 5 -8.953 2.141 2.447 42 2HD1 LEU 5 HD12 LEU 5 -8.464 3.835 2.396 43 3HD1 LEU 5 HD13 LEU 5 -7.351 2.579 1.853 44 1HD2 LEU 5 HD21 LEU 5 -9.657 4.875 -0.250 45 2HD2 LEU 5 HD22 LEU 5 -10.152 4.507 1.402 46 3HD2 LEU 5 HD23 LEU 5 -10.921 3.682 0.047 47 H TRP 6 HN TRP 6 -7.580 -0.259 -0.136 48 HA TRP 6 HA TRP 6 -5.379 -0.020 1.743 49 1HB TRP 6 HB2 TRP 6 -6.389 -1.665 2.973 50 2HB TRP 6 HB1 TRP 6 -7.797 -1.088 2.091 51 HD1 TRP 6 HD1 TRP 6 -8.948 -2.753 0.412 52 HE1 TRP 6 HE1 TRP 6 -8.617 -5.252 -0.111 53 HE3 TRP 6 HE3 TRP 6 -4.501 -3.508 2.821 54 HZ2 TRP 6 HZ2 TRP 6 -6.720 -7.275 0.425 55 HZ3 TRP 6 HZ3 TRP 6 -3.494 -5.750 2.766 56 HH2 TRP 6 HH2 TRP 6 -4.584 -7.596 1.595 57 H ASN 7 HN ASN 7 -6.165 -1.693 -1.208 58 HA ASN 7 HA ASN 7 -4.341 -3.765 -1.210 59 1HB ASN 7 HB2 ASN 7 -4.409 -3.634 -3.660 60 2HB ASN 7 HB1 ASN 7 -6.019 -3.479 -2.964 61 1HD2 ASN 7 HD21 ASN 7 -7.180 -1.684 -3.365 62 2HD2 ASN 7 HD22 ASN 7 -6.616 -0.343 -4.297 63 H TRP 8 HN TRP 8 -3.824 -0.374 -1.762 64 HA TRP 8 HA TRP 8 -0.985 -0.864 -2.330 65 1HB TRP 8 HB2 TRP 8 -0.956 1.022 -3.601 66 2HB TRP 8 HB1 TRP 8 -2.677 0.675 -3.725 67 HD1 TRP 8 HD1 TRP 8 -4.348 2.279 -2.400 68 HE1 TRP 8 HE1 TRP 8 -4.037 4.643 -1.409 69 HE3 TRP 8 HE3 TRP 8 0.736 2.494 -2.463 70 HZ2 TRP 8 HZ2 TRP 8 -1.885 6.368 -0.741 71 HZ3 TRP 8 HZ3 TRP 8 1.853 4.509 -1.636 72 HH2 TRP 8 HH2 TRP 8 0.573 6.416 -0.792 73 H PHE 9 HN PHE 9 -3.149 0.304 0.059 74 HA PHE 9 HA PHE 9 -1.400 2.029 1.461 75 1HB PHE 9 HB2 PHE 9 -4.031 1.398 1.708 76 2HB PHE 9 HB1 PHE 9 -3.357 0.495 3.060 77 HD1 PHE 9 HD1 PHE 9 -2.513 1.601 4.991 78 HD2 PHE 9 HD2 PHE 9 -3.813 3.846 1.617 79 HE1 PHE 9 HE1 PHE 9 -2.460 3.657 6.342 80 HE2 PHE 9 HE2 PHE 9 -3.764 5.906 2.963 81 HZ PHE 9 HZ PHE 9 -3.086 5.812 5.329 82 H ASN 10 HN ASN 10 -1.714 -1.413 1.271 83 HA ASN 10 HA ASN 10 -0.056 -1.867 3.619 84 1HB ASN 10 HB2 ASN 10 -0.445 -4.205 3.261 85 2HB ASN 10 HB1 ASN 10 -1.980 -3.382 3.005 86 1HD2 ASN 10 HD21 ASN 10 0.714 -4.970 1.452 87 2HD2 ASN 10 HD22 ASN 10 -0.086 -5.290 -0.045 88 H ILE 11 HN ILE 11 0.364 -1.109 0.416 89 HA ILE 11 HA ILE 11 2.788 -2.623 -0.031 90 HB ILE 11 HB ILE 11 1.631 -0.383 -1.695 91 1HG1 ILE 11 HG12 ILE 11 1.217 -3.377 -1.854 92 2HG1 ILE 11 HG11 ILE 11 -0.007 -2.159 -1.506 93 1HG2 ILE 11 HG21 ILE 11 3.332 -2.553 -2.806 94 2HG2 ILE 11 HG22 ILE 11 4.113 -1.268 -1.884 95 3HG2 ILE 11 HG23 ILE 11 3.162 -0.873 -3.317 96 1HD1 ILE 11 HD11 ILE 11 -0.405 -2.690 -3.716 97 2HD1 ILE 11 HD12 ILE 11 1.311 -2.822 -4.102 98 3HD1 ILE 11 HD13 ILE 11 0.585 -1.236 -3.842 99 H THR 12 HN THR 12 1.858 0.531 1.094 100 HA THR 12 HA THR 12 4.290 1.898 0.656 101 HB THR 12 HB THR 12 3.219 3.015 2.967 102 HG1 THR 12 HG1 THR 12 0.977 3.020 2.583 103 1HG2 THR 12 HG21 THR 12 2.002 4.463 1.079 104 2HG2 THR 12 HG22 THR 12 3.125 3.568 0.056 105 3HG2 THR 12 HG23 THR 12 3.737 4.561 1.378 106 H ASN 13 HN ASN 13 3.807 -0.785 2.483 107 HA ASN 13 HA ASN 13 5.550 -0.028 4.689 108 1HB ASN 13 HB2 ASN 13 4.417 -2.771 4.161 109 2HB ASN 13 HB1 ASN 13 4.979 -2.102 5.690 110 1HD2 ASN 13 HD21 ASN 13 3.721 0.424 5.449 111 2HD2 ASN 13 HD22 ASN 13 2.020 0.182 5.628 112 H TRP 14 HN TRP 14 5.533 -2.303 1.955 113 HA TRP 14 HA TRP 14 8.351 -2.893 2.468 114 1HB TRP 14 HB2 TRP 14 7.946 -4.515 0.467 115 2HB TRP 14 HB1 TRP 14 7.316 -4.919 2.058 116 HD1 TRP 14 HD1 TRP 14 4.594 -4.208 2.386 117 HE1 TRP 14 HE1 TRP 14 2.688 -4.538 0.698 118 HE3 TRP 14 HE3 TRP 14 7.365 -4.626 -1.882 119 HZ2 TRP 14 HZ2 TRP 14 2.397 -4.932 -2.087 120 HZ3 TRP 14 HZ3 TRP 14 6.198 -4.984 -4.018 121 HH2 TRP 14 HH2 TRP 14 3.764 -5.133 -4.116 122 H LEU 15 HN LEU 15 6.239 -1.520 -0.006 123 HA LEU 15 HA LEU 15 8.153 -1.173 -2.010 124 1HB LEU 15 HB2 LEU 15 6.537 -0.062 -3.123 125 2HB LEU 15 HB1 LEU 15 5.512 -0.654 -1.834 126 HG LEU 15 HG LEU 15 6.192 1.615 -0.684 127 1HD1 LEU 15 HD11 LEU 15 7.460 1.889 -3.154 128 2HD1 LEU 15 HD12 LEU 15 7.193 3.145 -1.943 129 3HD1 LEU 15 HD13 LEU 15 6.027 2.914 -3.246 130 1HD2 LEU 15 HD21 LEU 15 3.928 0.750 -1.514 131 2HD2 LEU 15 HD22 LEU 15 4.226 1.740 -2.943 132 3HD2 LEU 15 HD23 LEU 15 4.134 2.494 -1.352 133 H TRP 16 HN TRP 16 7.457 0.643 0.891 134 HA TRP 16 HA TRP 16 9.010 2.936 0.313 135 1HB TRP 16 HB2 TRP 16 7.408 2.041 2.442 136 2HB TRP 16 HB1 TRP 16 9.013 2.254 3.131 137 HD1 TRP 16 HD1 TRP 16 9.338 4.583 4.109 138 HE1 TRP 16 HE1 TRP 16 8.456 6.948 3.604 139 HE3 TRP 16 HE3 TRP 16 6.391 3.508 0.071 140 HZ2 TRP 16 HZ2 TRP 16 6.740 8.193 1.742 141 HZ3 TRP 16 HZ3 TRP 16 5.162 5.343 -1.013 142 HH2 TRP 16 HH2 TRP 16 5.333 7.637 -0.193 143 H TYR 17 HN TYR 17 9.709 -0.236 1.570 144 HA TYR 17 HA TYR 17 12.358 0.291 2.456 145 1HB TYR 17 HB2 TYR 17 11.725 -1.667 3.418 146 2HB TYR 17 HB1 TYR 17 10.606 -2.060 2.117 147 HD1 TYR 17 HD1 TYR 17 14.131 -2.254 3.209 148 HD2 TYR 17 HD2 TYR 17 11.254 -3.513 0.339 149 HE1 TYR 17 HE1 TYR 17 15.710 -3.946 2.375 150 HE2 TYR 17 HE2 TYR 17 12.823 -5.208 -0.502 151 HH TYR 17 HH TYR 17 15.933 -5.772 1.066 152 H ILE 18 HN ILE 18 10.895 -0.521 -0.594 153 HA ILE 18 HA ILE 18 13.352 -1.210 -1.917 154 HB ILE 18 HB ILE 18 10.676 -0.494 -3.127 155 1HG1 ILE 18 HG12 ILE 18 11.670 -3.300 -2.918 156 2HG1 ILE 18 HG11 ILE 18 11.003 -2.550 -1.471 157 1HG2 ILE 18 HG21 ILE 18 12.613 -0.334 -4.661 158 2HG2 ILE 18 HG22 ILE 18 11.467 -1.594 -5.119 159 3HG2 ILE 18 HG23 ILE 18 12.980 -2.026 -4.324 160 1HD1 ILE 18 HD11 ILE 18 9.139 -3.539 -2.336 161 2HD1 ILE 18 HD12 ILE 18 9.659 -3.317 -4.005 162 3HD1 ILE 18 HD13 ILE 18 9.027 -1.949 -3.090 163 H LYS 19 HN LYS 19 11.040 1.459 -2.443 164 HA LYS 19 HA LYS 19 12.797 3.012 -3.998 165 1HB LYS 19 HB2 LYS 19 10.202 3.481 -2.613 166 2HB LYS 19 HB1 LYS 19 11.121 4.891 -3.121 167 1HG LYS 19 HG2 LYS 19 9.570 4.365 -4.846 168 2HG LYS 19 HG1 LYS 19 11.181 3.935 -5.423 169 1HD LYS 19 HD2 LYS 19 10.719 1.718 -5.463 170 2HD LYS 19 HD1 LYS 19 9.683 1.801 -4.037 171 1HE LYS 19 HE2 LYS 19 8.150 1.334 -5.689 172 2HE LYS 19 HE1 LYS 19 8.074 3.096 -5.627 173 1HZ LYS 19 HZ1 LYS 19 9.770 1.584 -7.545 174 2HZ LYS 19 HZ2 LYS 19 9.465 3.248 -7.546 175 3HZ LYS 19 HZ3 LYS 19 8.221 2.161 -7.913 176 1HN NH2 20 HN1 LYS 19 12.130 3.722 -0.320 177 2HN NH2 20 HN2 LYS 19 12.549 5.308 -0.862 Start of MODEL 33 1 1H LYS 1 HT1 LYS 1 -15.925 0.539 5.319 2 2H LYS 1 HT2 LYS 1 -17.560 0.111 5.268 3 3H LYS 1 HT3 LYS 1 -17.095 1.708 4.962 4 HA LYS 1 HA LYS 1 -17.564 -0.177 3.083 5 1HB LYS 1 HB2 LYS 1 -17.103 2.488 3.212 6 2HB LYS 1 HB1 LYS 1 -15.636 1.964 2.398 7 1HG LYS 1 HG2 LYS 1 -16.766 1.244 0.528 8 2HG LYS 1 HG1 LYS 1 -18.283 1.020 1.402 9 1HD LYS 1 HD2 LYS 1 -18.643 2.933 0.098 10 2HD LYS 1 HD1 LYS 1 -18.270 3.563 1.704 11 1HE LYS 1 HE2 LYS 1 -17.109 4.787 -0.096 12 2HE LYS 1 HE1 LYS 1 -15.997 4.025 1.040 13 1HZ LYS 1 HZ1 LYS 1 -15.055 2.982 -0.649 14 2HZ LYS 1 HZ2 LYS 1 -16.137 3.695 -1.736 15 3HZ LYS 1 HZ3 LYS 1 -16.515 2.210 -1.020 16 H TRP 2 HN TRP 2 -15.921 -0.547 1.173 17 HA TRP 2 HA TRP 2 -13.789 -2.181 2.290 18 1HB TRP 2 HB2 TRP 2 -13.555 -3.000 -0.063 19 2HB TRP 2 HB1 TRP 2 -15.163 -3.238 0.613 20 HD1 TRP 2 HD1 TRP 2 -17.158 -1.772 -0.415 21 HE1 TRP 2 HE1 TRP 2 -17.380 -0.498 -2.641 22 HE3 TRP 2 HE3 TRP 2 -12.231 -1.644 -1.772 23 HZ2 TRP 2 HZ2 TRP 2 -15.688 0.438 -4.699 24 HZ3 TRP 2 HZ3 TRP 2 -11.617 -0.541 -3.883 25 HH2 TRP 2 HH2 TRP 2 -13.309 0.478 -5.314 26 H ALA 3 HN ALA 3 -13.775 0.869 2.022 27 HA ALA 3 HA ALA 3 -11.654 1.406 0.154 28 1HB ALA 3 HB1 ALA 3 -12.988 3.256 0.380 29 2HB ALA 3 HB2 ALA 3 -11.689 3.656 1.504 30 3HB ALA 3 HB3 ALA 3 -13.216 3.018 2.113 31 H SER 4 HN SER 4 -11.093 -0.594 2.214 32 HA SER 4 HA SER 4 -8.765 0.718 3.446 33 1HB SER 4 HB2 SER 4 -10.777 -1.127 4.681 34 2HB SER 4 HB1 SER 4 -9.112 -1.147 5.264 35 HG SER 4 HG SER 4 -11.075 0.717 5.641 36 H LEU 5 HN LEU 5 -8.824 -0.615 0.936 37 HA LEU 5 HA LEU 5 -6.984 -2.822 1.535 38 1HB LEU 5 HB2 LEU 5 -7.896 -4.085 -0.386 39 2HB LEU 5 HB1 LEU 5 -9.041 -3.896 0.928 40 HG LEU 5 HG LEU 5 -9.793 -1.801 -0.550 41 1HD1 LEU 5 HD11 LEU 5 -8.272 -3.582 -2.371 42 2HD1 LEU 5 HD12 LEU 5 -8.498 -1.833 -2.421 43 3HD1 LEU 5 HD13 LEU 5 -9.791 -2.905 -2.960 44 1HD2 LEU 5 HD21 LEU 5 -11.476 -3.252 -0.020 45 2HD2 LEU 5 HD22 LEU 5 -10.580 -4.668 -0.568 46 3HD2 LEU 5 HD23 LEU 5 -11.324 -3.586 -1.745 47 H TRP 6 HN TRP 6 -7.647 0.034 -0.121 48 HA TRP 6 HA TRP 6 -5.694 -0.483 -2.228 49 1HB TRP 6 HB2 TRP 6 -6.449 1.526 -3.265 50 2HB TRP 6 HB1 TRP 6 -7.889 0.687 -2.698 51 HD1 TRP 6 HD1 TRP 6 -9.395 1.914 -0.939 52 HE1 TRP 6 HE1 TRP 6 -9.366 4.273 0.088 53 HE3 TRP 6 HE3 TRP 6 -4.755 3.415 -2.477 54 HZ2 TRP 6 HZ2 TRP 6 -7.610 6.479 0.229 55 HZ3 TRP 6 HZ3 TRP 6 -3.974 5.664 -1.851 56 HH2 TRP 6 HH2 TRP 6 -5.375 7.164 -0.528 57 H ASN 7 HN ASN 7 -6.070 1.310 0.738 58 HA ASN 7 HA ASN 7 -4.043 3.172 0.539 59 1HB ASN 7 HB2 ASN 7 -3.875 2.957 3.051 60 2HB ASN 7 HB1 ASN 7 -5.492 3.266 2.427 61 1HD2 ASN 7 HD21 ASN 7 -7.024 1.600 2.456 62 2HD2 ASN 7 HD22 ASN 7 -6.835 0.216 3.471 63 H TRP 8 HN TRP 8 -3.788 -0.055 1.954 64 HA TRP 8 HA TRP 8 -0.971 0.026 2.250 65 1HB TRP 8 HB2 TRP 8 -1.199 -1.999 3.253 66 2HB TRP 8 HB1 TRP 8 -2.901 -1.550 3.267 67 HD1 TRP 8 HD1 TRP 8 -4.526 -2.853 1.600 68 HE1 TRP 8 HE1 TRP 8 -4.256 -5.074 0.318 69 HE3 TRP 8 HE3 TRP 8 0.519 -3.419 2.042 70 HZ2 TRP 8 HZ2 TRP 8 -2.161 -6.832 -0.410 71 HZ3 TRP 8 HZ3 TRP 8 1.586 -5.379 1.029 72 HH2 TRP 8 HH2 TRP 8 0.276 -7.058 -0.174 73 H PHE 9 HN PHE 9 -3.077 -0.899 -0.364 74 HA PHE 9 HA PHE 9 -1.245 -2.420 -1.870 75 1HB PHE 9 HB2 PHE 9 -3.872 -1.254 -2.254 76 2HB PHE 9 HB1 PHE 9 -2.893 -1.083 -3.705 77 HD1 PHE 9 HD1 PHE 9 -5.415 -2.701 -3.452 78 HD2 PHE 9 HD2 PHE 9 -1.321 -3.760 -2.964 79 HE1 PHE 9 HE1 PHE 9 -5.945 -5.023 -4.069 80 HE2 PHE 9 HE2 PHE 9 -1.844 -6.083 -3.580 81 HZ PHE 9 HZ PHE 9 -4.159 -6.717 -4.134 82 H ASN 10 HN ASN 10 -1.573 0.963 -1.314 83 HA ASN 10 HA ASN 10 0.145 1.674 -3.553 84 1HB ASN 10 HB2 ASN 10 -1.678 3.184 -3.192 85 2HB ASN 10 HB1 ASN 10 -1.307 3.314 -1.475 86 1HD2 ASN 10 HD21 ASN 10 0.355 4.633 -0.802 87 2HD2 ASN 10 HD22 ASN 10 1.116 5.782 -1.844 88 H ILE 11 HN ILE 11 0.376 0.861 -0.282 89 HA ILE 11 HA ILE 11 2.735 2.370 0.335 90 HB ILE 11 HB ILE 11 1.703 -0.063 1.790 91 1HG1 ILE 11 HG12 ILE 11 0.988 2.858 2.149 92 2HG1 ILE 11 HG11 ILE 11 -0.092 1.579 1.600 93 1HG2 ILE 11 HG21 ILE 11 3.996 1.545 2.131 94 2HG2 ILE 11 HG22 ILE 11 3.398 0.266 3.187 95 3HG2 ILE 11 HG23 ILE 11 2.892 1.934 3.450 96 1HD1 ILE 11 HD11 ILE 11 1.007 0.806 4.102 97 2HD1 ILE 11 HD12 ILE 11 -0.670 1.166 3.690 98 3HD1 ILE 11 HD13 ILE 11 0.401 2.456 4.236 99 H THR 12 HN THR 12 2.047 -0.777 -1.005 100 HA THR 12 HA THR 12 4.581 -1.958 -0.578 101 HB THR 12 HB THR 12 3.775 -3.217 -2.817 102 HG1 THR 12 HG1 THR 12 1.448 -2.028 -1.680 103 1HG2 THR 12 HG21 THR 12 2.112 -4.013 -0.550 104 2HG2 THR 12 HG22 THR 12 3.804 -3.757 -0.121 105 3HG2 THR 12 HG23 THR 12 3.381 -4.905 -1.391 106 H ASN 13 HN ASN 13 3.858 0.734 -2.320 107 HA ASN 13 HA ASN 13 5.689 0.227 -4.527 108 1HB ASN 13 HB2 ASN 13 3.937 2.581 -3.813 109 2HB ASN 13 HB1 ASN 13 5.068 2.605 -5.163 110 1HD2 ASN 13 HD21 ASN 13 2.064 1.423 -3.967 111 2HD2 ASN 13 HD22 ASN 13 1.519 0.694 -5.435 112 H TRP 14 HN TRP 14 5.457 2.315 -1.662 113 HA TRP 14 HA TRP 14 8.209 3.204 -2.131 114 1HB TRP 14 HB2 TRP 14 7.637 4.709 -0.077 115 2HB TRP 14 HB1 TRP 14 6.994 5.115 -1.663 116 HD1 TRP 14 HD1 TRP 14 4.351 4.186 -2.062 117 HE1 TRP 14 HE1 TRP 14 2.399 4.269 -0.396 118 HE3 TRP 14 HE3 TRP 14 7.012 4.664 2.268 119 HZ2 TRP 14 HZ2 TRP 14 2.033 4.514 2.397 120 HZ3 TRP 14 HZ3 TRP 14 5.790 4.819 4.396 121 HH2 TRP 14 HH2 TRP 14 3.350 4.745 4.458 122 H LEU 15 HN LEU 15 6.198 1.598 0.299 123 HA LEU 15 HA LEU 15 8.122 1.330 2.300 124 1HB LEU 15 HB2 LEU 15 6.597 0.047 3.359 125 2HB LEU 15 HB1 LEU 15 5.535 0.604 2.084 126 HG LEU 15 HG LEU 15 6.382 -1.555 0.850 127 1HD1 LEU 15 HD11 LEU 15 7.166 -3.285 2.130 128 2HD1 LEU 15 HD12 LEU 15 6.490 -2.634 3.622 129 3HD1 LEU 15 HD13 LEU 15 7.944 -1.916 2.926 130 1HD2 LEU 15 HD21 LEU 15 4.508 -2.813 1.922 131 2HD2 LEU 15 HD22 LEU 15 4.079 -1.198 1.359 132 3HD2 LEU 15 HD23 LEU 15 4.357 -1.488 3.076 133 H TRP 16 HN TRP 16 7.539 -0.526 -0.619 134 HA TRP 16 HA TRP 16 9.282 -2.677 -0.105 135 1HB TRP 16 HB2 TRP 16 7.653 -1.803 -2.244 136 2HB TRP 16 HB1 TRP 16 9.279 -1.962 -2.900 137 HD1 TRP 16 HD1 TRP 16 9.662 -4.260 -3.915 138 HE1 TRP 16 HE1 TRP 16 8.852 -6.659 -3.448 139 HE3 TRP 16 HE3 TRP 16 6.667 -3.334 0.124 140 HZ2 TRP 16 HZ2 TRP 16 7.166 -7.982 -1.612 141 HZ3 TRP 16 HZ3 TRP 16 5.490 -5.221 1.176 142 HH2 TRP 16 HH2 TRP 16 5.734 -7.496 0.324 143 H TYR 17 HN TYR 17 9.740 0.553 -1.343 144 HA TYR 17 HA TYR 17 12.428 0.258 -2.195 145 1HB TYR 17 HB2 TYR 17 11.551 2.158 -3.125 146 2HB TYR 17 HB1 TYR 17 10.531 2.497 -1.732 147 HD1 TYR 17 HD1 TYR 17 14.023 2.707 -2.977 148 HD2 TYR 17 HD2 TYR 17 11.183 4.089 -0.124 149 HE1 TYR 17 HE1 TYR 17 15.602 4.451 -2.260 150 HE2 TYR 17 HE2 TYR 17 12.755 5.840 0.598 151 HH TYR 17 HH TYR 17 16.047 5.979 -0.639 152 H ILE 18 HN ILE 18 10.884 1.163 0.831 153 HA ILE 18 HA ILE 18 13.255 1.942 2.193 154 HB ILE 18 HB ILE 18 10.630 0.974 3.341 155 1HG1 ILE 18 HG12 ILE 18 11.415 3.846 3.313 156 2HG1 ILE 18 HG11 ILE 18 10.889 3.139 1.789 157 1HG2 ILE 18 HG21 ILE 18 11.763 2.734 5.132 158 2HG2 ILE 18 HG22 ILE 18 13.139 1.789 4.565 159 3HG2 ILE 18 HG23 ILE 18 11.744 0.976 5.274 160 1HD1 ILE 18 HD11 ILE 18 8.745 2.896 2.485 161 2HD1 ILE 18 HD12 ILE 18 9.206 4.285 3.470 162 3HD1 ILE 18 HD13 ILE 18 9.199 2.667 4.173 163 H LYS 19 HN LYS 19 11.588 -1.096 1.710 164 HA LYS 19 HA LYS 19 12.973 -2.577 3.699 165 1HB LYS 19 HB2 LYS 19 10.923 -3.058 1.783 166 2HB LYS 19 HB1 LYS 19 12.167 -4.279 1.556 167 1HG LYS 19 HG2 LYS 19 10.916 -5.336 3.118 168 2HG LYS 19 HG1 LYS 19 11.974 -4.424 4.196 169 1HD LYS 19 HD2 LYS 19 9.843 -2.710 3.560 170 2HD LYS 19 HD1 LYS 19 9.120 -4.285 3.897 171 1HE LYS 19 HE2 LYS 19 10.925 -2.663 5.681 172 2HE LYS 19 HE1 LYS 19 9.232 -3.080 5.954 173 1HZ LYS 19 HZ1 LYS 19 11.474 -5.035 5.845 174 2HZ LYS 19 HZ2 LYS 19 9.855 -5.397 6.170 175 3HZ LYS 19 HZ3 LYS 19 10.748 -4.466 7.265 176 1HN NH2 20 HN1 LYS 19 13.629 -2.246 0.125 177 2HN NH2 20 HN2 LYS 19 14.773 -3.539 0.168 Start of MODEL 34 1 1H LYS 1 HT1 LYS 1 16.386 0.118 -3.318 2 2H LYS 1 HT2 LYS 1 17.955 0.464 -2.789 3 3H LYS 1 HT3 LYS 1 16.742 1.636 -2.660 4 HA LYS 1 HA LYS 1 17.387 -0.549 -0.911 5 1HB LYS 1 HB2 LYS 1 16.445 2.211 -0.867 6 2HB LYS 1 HB1 LYS 1 15.607 1.203 0.305 7 1HG LYS 1 HG2 LYS 1 18.513 0.844 0.262 8 2HG LYS 1 HG1 LYS 1 17.975 2.456 0.738 9 1HD LYS 1 HD2 LYS 1 16.929 1.697 2.631 10 2HD LYS 1 HD1 LYS 1 16.621 0.099 1.950 11 1HE LYS 1 HE2 LYS 1 19.381 1.067 2.650 12 2HE LYS 1 HE1 LYS 1 18.345 0.227 3.804 13 1HZ LYS 1 HZ1 LYS 1 18.979 -0.930 1.158 14 2HZ LYS 1 HZ2 LYS 1 18.395 -1.716 2.537 15 3HZ LYS 1 HZ3 LYS 1 19.992 -1.161 2.494 16 H TRP 2 HN TRP 2 15.256 -0.713 0.741 17 HA TRP 2 HA TRP 2 13.483 -2.439 -0.741 18 1HB TRP 2 HB2 TRP 2 12.490 -2.910 1.495 19 2HB TRP 2 HB1 TRP 2 14.228 -3.183 1.433 20 HD1 TRP 2 HD1 TRP 2 15.763 -1.669 2.958 21 HE1 TRP 2 HE1 TRP 2 15.259 -0.025 4.873 22 HE3 TRP 2 HE3 TRP 2 10.722 -1.145 2.277 23 HZ2 TRP 2 HZ2 TRP 2 13.022 1.318 5.951 24 HZ3 TRP 2 HZ3 TRP 2 9.476 0.339 3.792 25 HH2 TRP 2 HH2 TRP 2 10.602 1.544 5.591 26 H ALA 3 HN ALA 3 13.527 0.725 -0.653 27 HA ALA 3 HA ALA 3 10.937 1.464 0.244 28 1HB ALA 3 HB1 ALA 3 12.022 3.202 -1.807 29 2HB ALA 3 HB2 ALA 3 13.209 2.809 -0.563 30 3HB ALA 3 HB3 ALA 3 11.666 3.536 -0.112 31 H SER 4 HN SER 4 11.438 -0.677 -2.022 32 HA SER 4 HA SER 4 9.546 0.429 -3.974 33 1HB SER 4 HB2 SER 4 11.432 -1.927 -4.146 34 2HB SER 4 HB1 SER 4 10.241 -1.529 -5.385 35 HG SER 4 HG SER 4 11.529 0.691 -4.916 36 H LEU 5 HN LEU 5 8.787 -0.572 -1.316 37 HA LEU 5 HA LEU 5 6.901 -2.632 -2.224 38 1HB LEU 5 HB2 LEU 5 7.090 -3.826 -0.139 39 2HB LEU 5 HB1 LEU 5 8.669 -3.702 -0.889 40 HG LEU 5 HG LEU 5 8.841 -1.577 0.721 41 1HD1 LEU 5 HD11 LEU 5 7.835 -2.229 2.923 42 2HD1 LEU 5 HD12 LEU 5 6.867 -3.419 2.052 43 3HD1 LEU 5 HD13 LEU 5 6.677 -1.701 1.702 44 1HD2 LEU 5 HD21 LEU 5 10.027 -2.997 2.300 45 2HD2 LEU 5 HD22 LEU 5 10.378 -3.484 0.641 46 3HD2 LEU 5 HD23 LEU 5 9.253 -4.427 1.618 47 H TRP 6 HN TRP 6 7.569 0.177 -0.314 48 HA TRP 6 HA TRP 6 5.089 0.193 1.106 49 1HB TRP 6 HB2 TRP 6 5.813 2.154 2.089 50 2HB TRP 6 HB1 TRP 6 7.347 1.417 1.645 51 HD1 TRP 6 HD1 TRP 6 8.781 2.614 -0.250 52 HE1 TRP 6 HE1 TRP 6 8.650 4.956 -1.311 53 HE3 TRP 6 HE3 TRP 6 4.124 3.981 1.364 54 HZ2 TRP 6 HZ2 TRP 6 6.815 7.099 -1.445 55 HZ3 TRP 6 HZ3 TRP 6 3.256 6.194 0.726 56 HH2 TRP 6 HH2 TRP 6 4.575 7.720 -0.649 57 H ASN 7 HN ASN 7 6.137 1.301 -2.013 58 HA ASN 7 HA ASN 7 4.262 3.274 -2.558 59 1HB ASN 7 HB2 ASN 7 4.524 1.901 -4.964 60 2HB ASN 7 HB1 ASN 7 5.514 3.249 -4.416 61 1HD2 ASN 7 HD21 ASN 7 5.250 -0.256 -3.914 62 2HD2 ASN 7 HD22 ASN 7 6.947 -0.565 -3.997 63 H TRP 8 HN TRP 8 3.871 -0.145 -2.321 64 HA TRP 8 HA TRP 8 1.063 0.117 -3.172 65 1HB TRP 8 HB2 TRP 8 1.163 -1.860 -4.277 66 2HB TRP 8 HB1 TRP 8 2.888 -1.518 -4.321 67 HD1 TRP 8 HD1 TRP 8 4.473 -3.000 -2.781 68 HE1 TRP 8 HE1 TRP 8 4.100 -5.242 -1.563 69 HE3 TRP 8 HE3 TRP 8 -0.618 -3.214 -3.038 70 HZ2 TRP 8 HZ2 TRP 8 1.918 -6.882 -0.810 71 HZ3 TRP 8 HZ3 TRP 8 -1.775 -5.137 -2.049 72 HH2 TRP 8 HH2 TRP 8 -0.534 -6.939 -0.956 73 H PHE 9 HN PHE 9 3.257 -0.883 -0.682 74 HA PHE 9 HA PHE 9 1.455 -2.417 0.869 75 1HB PHE 9 HB2 PHE 9 4.026 -2.217 1.086 76 2HB PHE 9 HB1 PHE 9 3.691 -0.783 2.051 77 HD1 PHE 9 HD1 PHE 9 2.824 -4.393 1.811 78 HD2 PHE 9 HD2 PHE 9 3.329 -0.995 4.322 79 HE1 PHE 9 HE1 PHE 9 2.494 -5.813 3.793 80 HE2 PHE 9 HE2 PHE 9 3.001 -2.408 6.308 81 HZ PHE 9 HZ PHE 9 2.581 -4.821 6.046 82 H ASN 10 HN ASN 10 1.792 0.936 0.298 83 HA ASN 10 HA ASN 10 0.277 1.687 2.669 84 1HB ASN 10 HB2 ASN 10 1.027 3.821 2.346 85 2HB ASN 10 HB1 ASN 10 2.282 2.982 1.441 86 1HD2 ASN 10 HD21 ASN 10 1.473 2.486 -0.917 87 2HD2 ASN 10 HD22 ASN 10 0.839 3.861 -1.747 88 H ILE 11 HN ILE 11 -0.260 0.745 -0.506 89 HA ILE 11 HA ILE 11 -2.613 2.296 -1.032 90 HB ILE 11 HB ILE 11 -1.720 -0.272 -2.353 91 1HG1 ILE 11 HG12 ILE 11 -1.179 2.617 -3.077 92 2HG1 ILE 11 HG11 ILE 11 0.012 1.430 -2.549 93 1HG2 ILE 11 HG21 ILE 11 -3.980 1.557 -2.764 94 2HG2 ILE 11 HG22 ILE 11 -3.792 -0.136 -3.218 95 3HG2 ILE 11 HG23 ILE 11 -3.095 1.130 -4.229 96 1HD1 ILE 11 HD11 ILE 11 -1.557 1.369 -5.117 97 2HD1 ILE 11 HD12 ILE 11 -0.421 0.128 -4.587 98 3HD1 ILE 11 HD13 ILE 11 0.153 1.760 -4.932 99 H THR 12 HN THR 12 -1.889 -0.748 0.489 100 HA THR 12 HA THR 12 -4.518 -1.832 0.442 101 HB THR 12 HB THR 12 -3.527 -3.101 2.540 102 HG1 THR 12 HG1 THR 12 -1.621 -1.433 2.178 103 1HG2 THR 12 HG21 THR 12 -1.957 -4.034 0.329 104 2HG2 THR 12 HG22 THR 12 -3.548 -3.535 -0.246 105 3HG2 THR 12 HG23 THR 12 -3.411 -4.741 1.034 106 H ASN 13 HN ASN 13 -3.447 0.892 1.884 107 HA ASN 13 HA ASN 13 -4.873 0.612 4.399 108 1HB ASN 13 HB2 ASN 13 -3.190 2.783 3.172 109 2HB ASN 13 HB1 ASN 13 -4.160 3.087 4.610 110 1HD2 ASN 13 HD21 ASN 13 -2.166 0.364 3.514 111 2HD2 ASN 13 HD22 ASN 13 -1.187 0.287 4.936 112 H TRP 14 HN TRP 14 -5.172 2.383 1.350 113 HA TRP 14 HA TRP 14 -7.783 3.395 2.220 114 1HB TRP 14 HB2 TRP 14 -7.532 4.652 -0.087 115 2HB TRP 14 HB1 TRP 14 -6.720 5.240 1.358 116 HD1 TRP 14 HD1 TRP 14 -4.034 4.357 1.555 117 HE1 TRP 14 HE1 TRP 14 -2.287 4.250 -0.324 118 HE3 TRP 14 HE3 TRP 14 -7.179 4.364 -2.470 119 HZ2 TRP 14 HZ2 TRP 14 -2.246 4.184 -3.148 120 HZ3 TRP 14 HZ3 TRP 14 -6.206 4.279 -4.728 121 HH2 TRP 14 HH2 TRP 14 -3.789 4.191 -5.058 122 H LEU 15 HN LEU 15 -6.229 1.459 -0.280 123 HA LEU 15 HA LEU 15 -8.488 1.070 -1.900 124 1HB LEU 15 HB2 LEU 15 -7.154 -0.270 -3.121 125 2HB LEU 15 HB1 LEU 15 -5.886 0.353 -2.088 126 HG LEU 15 HG LEU 15 -6.496 -1.710 -0.592 127 1HD1 LEU 15 HD11 LEU 15 -8.435 -2.210 -2.235 128 2HD1 LEU 15 HD12 LEU 15 -7.449 -3.545 -1.634 129 3HD1 LEU 15 HD13 LEU 15 -7.169 -2.900 -3.252 130 1HD2 LEU 15 HD21 LEU 15 -4.838 -3.051 -1.866 131 2HD2 LEU 15 HD22 LEU 15 -4.326 -1.389 -1.569 132 3HD2 LEU 15 HD23 LEU 15 -4.927 -1.855 -3.160 133 H TRP 16 HN TRP 16 -7.334 -0.579 0.991 134 HA TRP 16 HA TRP 16 -9.129 -2.743 0.984 135 1HB TRP 16 HB2 TRP 16 -7.186 -1.650 2.756 136 2HB TRP 16 HB1 TRP 16 -8.674 -1.854 3.671 137 HD1 TRP 16 HD1 TRP 16 -8.604 -4.068 4.927 138 HE1 TRP 16 HE1 TRP 16 -7.781 -6.457 4.434 139 HE3 TRP 16 HE3 TRP 16 -6.695 -3.321 0.243 140 HZ2 TRP 16 HZ2 TRP 16 -6.493 -7.841 2.338 141 HZ3 TRP 16 HZ3 TRP 16 -5.684 -5.229 -0.937 142 HH2 TRP 16 HH2 TRP 16 -5.586 -7.441 0.090 143 H TYR 17 HN TYR 17 -9.444 0.600 1.776 144 HA TYR 17 HA TYR 17 -11.977 0.354 3.125 145 1HB TYR 17 HB2 TYR 17 -10.973 2.249 3.916 146 2HB TYR 17 HB1 TYR 17 -10.086 2.529 2.422 147 HD1 TYR 17 HD1 TYR 17 -13.322 3.019 4.129 148 HD2 TYR 17 HD2 TYR 17 -10.943 3.985 0.736 149 HE1 TYR 17 HE1 TYR 17 -14.901 4.808 3.539 150 HE2 TYR 17 HE2 TYR 17 -12.515 5.779 0.138 151 HH TYR 17 HH TYR 17 -14.861 6.377 0.526 152 H ILE 18 HN ILE 18 -10.791 0.934 -0.092 153 HA ILE 18 HA ILE 18 -13.347 1.756 -1.161 154 HB ILE 18 HB ILE 18 -10.825 0.972 -2.630 155 1HG1 ILE 18 HG12 ILE 18 -11.729 3.800 -2.209 156 2HG1 ILE 18 HG11 ILE 18 -10.828 2.979 -0.938 157 1HG2 ILE 18 HG21 ILE 18 -13.426 2.176 -3.476 158 2HG2 ILE 18 HG22 ILE 18 -12.487 0.887 -4.230 159 3HG2 ILE 18 HG23 ILE 18 -11.946 2.562 -4.355 160 1HD1 ILE 18 HD11 ILE 18 -9.398 4.334 -2.398 161 2HD1 ILE 18 HD12 ILE 18 -9.880 3.338 -3.772 162 3HD1 ILE 18 HD13 ILE 18 -8.972 2.622 -2.440 163 H LYS 19 HN LYS 19 -11.190 -0.816 -2.315 164 HA LYS 19 HA LYS 19 -13.347 -2.363 -3.340 165 1HB LYS 19 HB2 LYS 19 -11.287 -2.547 -4.486 166 2HB LYS 19 HB1 LYS 19 -10.396 -2.862 -3.004 167 1HG LYS 19 HG2 LYS 19 -11.680 -5.025 -2.835 168 2HG LYS 19 HG1 LYS 19 -12.247 -4.712 -4.476 169 1HD LYS 19 HD2 LYS 19 -10.301 -5.354 -5.368 170 2HD LYS 19 HD1 LYS 19 -9.370 -4.394 -4.216 171 1HE LYS 19 HE2 LYS 19 -8.821 -6.744 -3.985 172 2HE LYS 19 HE1 LYS 19 -9.647 -6.163 -2.537 173 1HZ LYS 19 HZ1 LYS 19 -11.719 -7.125 -3.423 174 2HZ LYS 19 HZ2 LYS 19 -10.527 -8.300 -3.172 175 3HZ LYS 19 HZ3 LYS 19 -10.861 -7.755 -4.739 176 1HN NH2 20 HN1 LYS 19 -12.243 -2.046 -0.148 177 2HN NH2 20 HN2 LYS 19 -13.182 -3.379 0.423 Start of MODEL 35 1 1H LYS 1 HT1 LYS 1 18.194 -0.373 3.988 2 2H LYS 1 HT2 LYS 1 16.916 0.649 4.416 3 3H LYS 1 HT3 LYS 1 18.351 1.301 3.803 4 HA LYS 1 HA LYS 1 17.905 0.730 1.664 5 1HB LYS 1 HB2 LYS 1 17.084 -1.660 2.933 6 2HB LYS 1 HB1 LYS 1 15.745 -1.154 1.911 7 1HG LYS 1 HG2 LYS 1 18.396 -1.025 0.652 8 2HG LYS 1 HG1 LYS 1 17.831 -2.644 1.069 9 1HD LYS 1 HD2 LYS 1 15.639 -1.954 -0.079 10 2HD LYS 1 HD1 LYS 1 16.579 -0.629 -0.770 11 1HE LYS 1 HE2 LYS 1 16.566 -2.439 -2.339 12 2HE LYS 1 HE1 LYS 1 18.185 -2.313 -1.651 13 1HZ LYS 1 HZ1 LYS 1 17.857 -4.536 -1.459 14 2HZ LYS 1 HZ2 LYS 1 16.177 -4.409 -1.307 15 3HZ LYS 1 HZ3 LYS 1 17.173 -4.064 0.015 16 H TRP 2 HN TRP 2 15.574 0.497 0.374 17 HA TRP 2 HA TRP 2 13.842 2.540 1.604 18 1HB TRP 2 HB2 TRP 2 13.409 3.445 -0.593 19 2HB TRP 2 HB1 TRP 2 15.151 3.357 -0.359 20 HD1 TRP 2 HD1 TRP 2 16.461 1.392 -1.731 21 HE1 TRP 2 HE1 TRP 2 15.880 0.251 -3.964 22 HE3 TRP 2 HE3 TRP 2 11.520 2.669 -2.038 23 HZ2 TRP 2 HZ2 TRP 2 13.625 -0.063 -5.632 24 HZ3 TRP 2 HZ3 TRP 2 10.223 1.909 -3.985 25 HH2 TRP 2 HH2 TRP 2 11.256 0.570 -5.745 26 H ALA 3 HN ALA 3 13.908 -0.588 1.183 27 HA ALA 3 HA ALA 3 11.454 -1.082 -0.226 28 1HB ALA 3 HB1 ALA 3 12.094 -3.322 1.349 29 2HB ALA 3 HB2 ALA 3 13.624 -2.640 0.799 30 3HB ALA 3 HB3 ALA 3 12.386 -3.089 -0.375 31 H SER 4 HN SER 4 11.306 0.757 2.056 32 HA SER 4 HA SER 4 9.414 -0.752 3.736 33 1HB SER 4 HB2 SER 4 10.455 1.772 4.835 34 2HB SER 4 HB1 SER 4 10.224 0.208 5.616 35 HG SER 4 HG SER 4 12.456 1.264 4.401 36 H LEU 5 HN LEU 5 8.978 0.712 1.187 37 HA LEU 5 HA LEU 5 6.890 2.528 2.179 38 1HB LEU 5 HB2 LEU 5 7.297 3.979 0.203 39 2HB LEU 5 HB1 LEU 5 8.618 3.959 1.355 40 HG LEU 5 HG LEU 5 9.551 2.085 -0.276 41 1HD1 LEU 5 HD11 LEU 5 8.111 1.824 -1.994 42 2HD1 LEU 5 HD12 LEU 5 8.958 3.233 -2.631 43 3HD1 LEU 5 HD13 LEU 5 7.415 3.433 -1.800 44 1HD2 LEU 5 HD21 LEU 5 11.061 3.730 -0.180 45 2HD2 LEU 5 HD22 LEU 5 9.823 4.984 -0.104 46 3HD2 LEU 5 HD23 LEU 5 10.312 4.321 -1.663 47 H TRP 6 HN TRP 6 7.616 -0.212 0.467 48 HA TRP 6 HA TRP 6 5.440 0.094 -1.450 49 1HB TRP 6 HB2 TRP 6 6.379 -1.591 -2.682 50 2HB TRP 6 HB1 TRP 6 7.817 -1.020 -1.847 51 HD1 TRP 6 HD1 TRP 6 9.038 -2.699 -0.255 52 HE1 TRP 6 HE1 TRP 6 8.689 -5.184 0.321 53 HE3 TRP 6 HE3 TRP 6 4.433 -3.386 -2.367 54 HZ2 TRP 6 HZ2 TRP 6 6.723 -7.172 -0.070 55 HZ3 TRP 6 HZ3 TRP 6 3.387 -5.608 -2.221 56 HH2 TRP 6 HH2 TRP 6 4.511 -7.462 -1.098 57 H ASN 7 HN ASN 7 6.230 -1.630 1.497 58 HA ASN 7 HA ASN 7 4.273 -3.603 1.467 59 1HB ASN 7 HB2 ASN 7 4.795 -2.212 4.048 60 2HB ASN 7 HB1 ASN 7 4.734 -3.935 3.693 61 1HD2 ASN 7 HD21 ASN 7 6.706 -1.717 4.783 62 2HD2 ASN 7 HD22 ASN 7 8.219 -2.264 4.153 63 H TRP 8 HN TRP 8 3.982 -0.201 1.889 64 HA TRP 8 HA TRP 8 1.176 -0.495 2.691 65 1HB TRP 8 HB2 TRP 8 1.361 1.394 3.915 66 2HB TRP 8 HB1 TRP 8 3.090 1.092 3.804 67 HD1 TRP 8 HD1 TRP 8 4.525 2.723 2.284 68 HE1 TRP 8 HE1 TRP 8 4.014 5.016 1.224 69 HE3 TRP 8 HE3 TRP 8 -0.548 2.751 2.831 70 HZ2 TRP 8 HZ2 TRP 8 1.749 6.623 0.692 71 HZ3 TRP 8 HZ3 TRP 8 -1.817 4.695 2.025 72 HH2 TRP 8 HH2 TRP 8 -0.692 6.593 0.976 73 H PHE 9 HN PHE 9 3.280 0.623 0.171 74 HA PHE 9 HA PHE 9 1.474 2.264 -1.233 75 1HB PHE 9 HB2 PHE 9 4.094 1.652 -1.535 76 2HB PHE 9 HB1 PHE 9 3.399 0.686 -2.832 77 HD1 PHE 9 HD1 PHE 9 2.243 1.759 -4.698 78 HD2 PHE 9 HD2 PHE 9 4.100 4.043 -1.624 79 HE1 PHE 9 HE1 PHE 9 2.133 3.761 -6.124 80 HE2 PHE 9 HE2 PHE 9 3.992 6.049 -3.044 81 HZ PHE 9 HZ PHE 9 3.008 5.910 -5.297 82 H ASN 10 HN ASN 10 1.776 -1.168 -0.957 83 HA ASN 10 HA ASN 10 0.093 -1.683 -3.263 84 1HB ASN 10 HB2 ASN 10 1.307 -3.572 -3.225 85 2HB ASN 10 HB1 ASN 10 1.905 -3.224 -1.607 86 1HD2 ASN 10 HD21 ASN 10 0.662 -3.931 0.195 87 2HD2 ASN 10 HD22 ASN 10 -0.413 -5.275 0.044 88 H ILE 11 HN ILE 11 -0.266 -0.958 -0.001 89 HA ILE 11 HA ILE 11 -2.681 -2.411 0.507 90 HB ILE 11 HB ILE 11 -1.636 0.005 1.987 91 1HG1 ILE 11 HG12 ILE 11 -1.079 -2.943 2.390 92 2HG1 ILE 11 HG11 ILE 11 0.088 -1.698 1.957 93 1HG2 ILE 11 HG21 ILE 11 -3.855 -0.322 2.645 94 2HG2 ILE 11 HG22 ILE 11 -2.912 -1.159 3.879 95 3HG2 ILE 11 HG23 ILE 11 -3.705 -2.079 2.600 96 1HD1 ILE 11 HD11 ILE 11 -1.373 -1.962 4.575 97 2HD1 ILE 11 HD12 ILE 11 -0.297 -0.631 4.149 98 3HD1 ILE 11 HD13 ILE 11 0.337 -2.272 4.275 99 H THR 12 HN THR 12 -1.880 0.711 -0.826 100 HA THR 12 HA THR 12 -4.396 1.956 -0.509 101 HB THR 12 HB THR 12 -3.410 3.070 -2.816 102 HG1 THR 12 HG1 THR 12 -1.062 3.227 -2.127 103 1HG2 THR 12 HG21 THR 12 -3.983 4.502 -1.080 104 2HG2 THR 12 HG22 THR 12 -2.227 4.660 -1.137 105 3HG2 THR 12 HG23 THR 12 -2.981 3.644 0.092 106 H ASN 13 HN ASN 13 -3.639 -0.757 -2.240 107 HA ASN 13 HA ASN 13 -5.382 -0.251 -4.505 108 1HB ASN 13 HB2 ASN 13 -3.711 -2.605 -3.642 109 2HB ASN 13 HB1 ASN 13 -4.848 -2.718 -4.981 110 1HD2 ASN 13 HD21 ASN 13 -1.778 -1.672 -3.952 111 2HD2 ASN 13 HD22 ASN 13 -1.253 -0.983 -5.446 112 H TRP 14 HN TRP 14 -5.350 -2.346 -1.631 113 HA TRP 14 HA TRP 14 -8.114 -3.118 -2.189 114 1HB TRP 14 HB2 TRP 14 -7.667 -4.583 -0.064 115 2HB TRP 14 HB1 TRP 14 -7.006 -5.057 -1.623 116 HD1 TRP 14 HD1 TRP 14 -4.317 -4.253 -1.989 117 HE1 TRP 14 HE1 TRP 14 -2.408 -4.355 -0.274 118 HE3 TRP 14 HE3 TRP 14 -7.093 -4.486 2.296 119 HZ2 TRP 14 HZ2 TRP 14 -2.113 -4.524 2.529 120 HZ3 TRP 14 HZ3 TRP 14 -5.919 -4.621 4.454 121 HH2 TRP 14 HH2 TRP 14 -3.480 -4.639 4.566 122 H LEU 15 HN LEU 15 -6.174 -1.477 0.271 123 HA LEU 15 HA LEU 15 -8.159 -1.133 2.197 124 1HB LEU 15 HB2 LEU 15 -6.667 0.181 3.264 125 2HB LEU 15 HB1 LEU 15 -5.565 -0.435 2.052 126 HG LEU 15 HG LEU 15 -6.326 1.685 0.708 127 1HD1 LEU 15 HD11 LEU 15 -6.405 3.355 2.947 128 2HD1 LEU 15 HD12 LEU 15 -7.579 2.076 3.266 129 3HD1 LEU 15 HD13 LEU 15 -7.704 3.043 1.796 130 1HD2 LEU 15 HD21 LEU 15 -4.054 1.114 1.616 131 2HD2 LEU 15 HD22 LEU 15 -4.490 2.011 3.070 132 3HD2 LEU 15 HD23 LEU 15 -4.411 2.838 1.515 133 H TRP 16 HN TRP 16 -7.499 0.589 -0.779 134 HA TRP 16 HA TRP 16 -9.237 2.777 -0.401 135 1HB TRP 16 HB2 TRP 16 -7.569 1.787 -2.466 136 2HB TRP 16 HB1 TRP 16 -9.179 1.945 -3.159 137 HD1 TRP 16 HD1 TRP 16 -9.434 4.191 -4.327 138 HE1 TRP 16 HE1 TRP 16 -8.616 6.598 -3.923 139 HE3 TRP 16 HE3 TRP 16 -6.701 3.418 -0.075 140 HZ2 TRP 16 HZ2 TRP 16 -7.022 7.985 -2.050 141 HZ3 TRP 16 HZ3 TRP 16 -5.559 5.337 0.958 142 HH2 TRP 16 HH2 TRP 16 -5.717 7.572 -0.011 143 H TYR 17 HN TYR 17 -9.676 -0.507 -1.486 144 HA TYR 17 HA TYR 17 -12.365 -0.236 -2.381 145 1HB TYR 17 HB2 TYR 17 -11.495 -2.148 -3.287 146 2HB TYR 17 HB1 TYR 17 -10.432 -2.439 -1.914 147 HD1 TYR 17 HD1 TYR 17 -13.852 -2.905 -3.218 148 HD2 TYR 17 HD2 TYR 17 -11.104 -3.869 -0.116 149 HE1 TYR 17 HE1 TYR 17 -15.369 -4.674 -2.432 150 HE2 TYR 17 HE2 TYR 17 -12.614 -5.641 0.678 151 HH TYR 17 HH TYR 17 -15.352 -5.974 0.428 152 H ILE 18 HN ILE 18 -10.806 -0.782 0.669 153 HA ILE 18 HA ILE 18 -13.179 -1.647 2.052 154 HB ILE 18 HB ILE 18 -10.618 -0.642 3.292 155 1HG1 ILE 18 HG12 ILE 18 -11.259 -3.513 2.600 156 2HG1 ILE 18 HG11 ILE 18 -10.289 -2.473 1.563 157 1HG2 ILE 18 HG21 ILE 18 -11.889 -0.925 5.121 158 2HG2 ILE 18 HG22 ILE 18 -11.566 -2.641 4.872 159 3HG2 ILE 18 HG23 ILE 18 -13.065 -1.930 4.273 160 1HD1 ILE 18 HD11 ILE 18 -9.380 -4.079 3.617 161 2HD1 ILE 18 HD12 ILE 18 -9.334 -2.449 4.289 162 3HD1 ILE 18 HD13 ILE 18 -8.476 -2.810 2.791 163 H LYS 19 HN LYS 19 -11.702 1.352 1.239 164 HA LYS 19 HA LYS 19 -12.971 2.881 3.326 165 1HB LYS 19 HB2 LYS 19 -11.316 3.557 0.916 166 2HB LYS 19 HB1 LYS 19 -12.185 4.821 1.776 167 1HG LYS 19 HG2 LYS 19 -10.827 3.301 3.720 168 2HG LYS 19 HG1 LYS 19 -9.686 3.603 2.408 169 1HD LYS 19 HD2 LYS 19 -9.736 5.878 2.705 170 2HD LYS 19 HD1 LYS 19 -11.368 5.861 3.378 171 1HE LYS 19 HE2 LYS 19 -10.269 4.582 5.348 172 2HE LYS 19 HE1 LYS 19 -8.761 5.243 4.713 173 1HZ LYS 19 HZ1 LYS 19 -9.658 6.695 6.405 174 2HZ LYS 19 HZ2 LYS 19 -11.133 6.814 5.585 175 3HZ LYS 19 HZ3 LYS 19 -9.733 7.475 4.905 176 1HN NH2 20 HN1 LYS 19 -13.808 2.305 -0.200 177 2HN NH2 20 HN2 LYS 19 -14.630 3.823 -0.256 Start of MODEL 36 1 1H LYS 1 HT1 LYS 1 -16.436 -0.092 5.452 2 2H LYS 1 HT2 LYS 1 -16.149 1.568 5.611 3 3H LYS 1 HT3 LYS 1 -14.850 0.486 5.576 4 HA LYS 1 HA LYS 1 -16.718 0.679 3.308 5 1HB LYS 1 HB2 LYS 1 -15.065 2.765 4.286 6 2HB LYS 1 HB1 LYS 1 -14.289 2.136 2.839 7 1HG LYS 1 HG2 LYS 1 -17.204 2.770 2.793 8 2HG LYS 1 HG1 LYS 1 -16.017 4.070 2.663 9 1HD LYS 1 HD2 LYS 1 -15.175 2.027 0.914 10 2HD LYS 1 HD1 LYS 1 -16.910 2.228 0.658 11 1HE LYS 1 HE2 LYS 1 -16.596 4.616 0.306 12 2HE LYS 1 HE1 LYS 1 -14.868 4.450 0.617 13 1HZ LYS 1 HZ1 LYS 1 -14.511 3.787 -1.461 14 2HZ LYS 1 HZ2 LYS 1 -16.087 4.285 -1.817 15 3HZ LYS 1 HZ3 LYS 1 -15.781 2.669 -1.426 16 H TRP 2 HN TRP 2 -15.897 -0.299 1.445 17 HA TRP 2 HA TRP 2 -14.092 -2.461 1.912 18 1HB TRP 2 HB2 TRP 2 -14.566 -3.134 -0.331 19 2HB TRP 2 HB1 TRP 2 -16.069 -2.512 0.343 20 HD1 TRP 2 HD1 TRP 2 -16.983 -0.180 -0.638 21 HE1 TRP 2 HE1 TRP 2 -16.504 1.042 -2.853 22 HE3 TRP 2 HE3 TRP 2 -12.744 -2.670 -2.040 23 HZ2 TRP 2 HZ2 TRP 2 -14.582 0.960 -4.920 24 HZ3 TRP 2 HZ3 TRP 2 -11.646 -2.038 -4.149 25 HH2 TRP 2 HH2 TRP 2 -12.549 -0.259 -5.559 26 H ALA 3 HN ALA 3 -13.567 0.752 1.308 27 HA ALA 3 HA ALA 3 -11.343 0.572 -0.484 28 1HB ALA 3 HB1 ALA 3 -12.835 2.665 0.848 29 2HB ALA 3 HB2 ALA 3 -11.930 2.711 -0.665 30 3HB ALA 3 HB3 ALA 3 -11.099 2.977 0.868 31 H SER 4 HN SER 4 -11.481 -0.823 2.316 32 HA SER 4 HA SER 4 -9.088 0.255 3.558 33 1HB SER 4 HB2 SER 4 -9.494 -1.462 5.291 34 2HB SER 4 HB1 SER 4 -10.921 -0.464 5.007 35 HG SER 4 HG SER 4 -11.399 -2.716 5.110 36 H LEU 5 HN LEU 5 -8.993 -1.009 0.875 37 HA LEU 5 HA LEU 5 -6.962 -3.038 1.507 38 1HB LEU 5 HB2 LEU 5 -7.646 -4.334 -0.453 39 2HB LEU 5 HB1 LEU 5 -8.928 -4.215 0.736 40 HG LEU 5 HG LEU 5 -9.600 -2.142 -0.850 41 1HD1 LEU 5 HD11 LEU 5 -9.343 -3.487 -3.187 42 2HD1 LEU 5 HD12 LEU 5 -7.798 -3.849 -2.417 43 3HD1 LEU 5 HD13 LEU 5 -8.286 -2.173 -2.670 44 1HD2 LEU 5 HD21 LEU 5 -11.218 -3.728 -0.283 45 2HD2 LEU 5 HD22 LEU 5 -10.308 -5.053 -1.009 46 3HD2 LEU 5 HD23 LEU 5 -11.093 -3.854 -2.037 47 H TRP 6 HN TRP 6 -7.506 -0.080 0.192 48 HA TRP 6 HA TRP 6 -5.430 -0.420 -1.862 49 1HB TRP 6 HB2 TRP 6 -6.329 1.329 -3.076 50 2HB TRP 6 HB1 TRP 6 -7.777 0.631 -2.364 51 HD1 TRP 6 HD1 TRP 6 -9.205 2.156 -0.801 52 HE1 TRP 6 HE1 TRP 6 -9.049 4.619 -0.074 53 HE3 TRP 6 HE3 TRP 6 -4.507 3.217 -2.520 54 HZ2 TRP 6 HZ2 TRP 6 -7.183 6.733 -0.211 55 HZ3 TRP 6 HZ3 TRP 6 -3.610 5.483 -2.181 56 HH2 TRP 6 HH2 TRP 6 -4.923 7.204 -1.052 57 H ASN 7 HN ASN 7 -6.273 1.316 1.056 58 HA ASN 7 HA ASN 7 -4.323 3.301 1.045 59 1HB ASN 7 HB2 ASN 7 -5.047 1.874 3.582 60 2HB ASN 7 HB1 ASN 7 -4.760 3.592 3.319 61 1HD2 ASN 7 HD21 ASN 7 -7.061 1.174 3.617 62 2HD2 ASN 7 HD22 ASN 7 -8.449 2.081 3.128 63 H TRP 8 HN TRP 8 -3.989 -0.081 1.352 64 HA TRP 8 HA TRP 8 -1.252 0.200 2.381 65 1HB TRP 8 HB2 TRP 8 -1.472 -1.802 3.428 66 2HB TRP 8 HB1 TRP 8 -3.189 -1.441 3.300 67 HD1 TRP 8 HD1 TRP 8 -4.624 -2.895 1.600 68 HE1 TRP 8 HE1 TRP 8 -4.147 -5.114 0.380 69 HE3 TRP 8 HE3 TRP 8 0.417 -3.135 2.326 70 HZ2 TRP 8 HZ2 TRP 8 -1.910 -6.748 -0.200 71 HZ3 TRP 8 HZ3 TRP 8 1.657 -5.043 1.411 72 HH2 TRP 8 HH2 TRP 8 0.519 -6.819 0.173 73 H PHE 9 HN PHE 9 -3.147 -0.827 -0.350 74 HA PHE 9 HA PHE 9 -1.160 -2.325 -1.685 75 1HB PHE 9 HB2 PHE 9 -3.810 -1.333 -2.269 76 2HB PHE 9 HB1 PHE 9 -2.752 -1.104 -3.656 77 HD1 PHE 9 HD1 PHE 9 -0.999 -3.580 -3.031 78 HD2 PHE 9 HD2 PHE 9 -5.203 -2.971 -3.292 79 HE1 PHE 9 HE1 PHE 9 -1.299 -5.943 -3.645 80 HE2 PHE 9 HE2 PHE 9 -5.510 -5.334 -3.905 81 HZ PHE 9 HZ PHE 9 -3.557 -6.823 -4.081 82 H ASN 10 HN ASN 10 -1.660 1.056 -1.256 83 HA ASN 10 HA ASN 10 0.109 1.797 -3.432 84 1HB ASN 10 HB2 ASN 10 -0.796 3.856 -3.251 85 2HB ASN 10 HB1 ASN 10 -1.987 3.087 -2.207 86 1HD2 ASN 10 HD21 ASN 10 -1.109 2.837 0.137 87 2HD2 ASN 10 HD22 ASN 10 -0.418 4.272 0.806 88 H ILE 11 HN ILE 11 0.370 0.796 -0.258 89 HA ILE 11 HA ILE 11 2.694 2.329 0.471 90 HB ILE 11 HB ILE 11 1.638 -0.179 1.781 91 1HG1 ILE 11 HG12 ILE 11 0.978 2.732 2.279 92 2HG1 ILE 11 HG11 ILE 11 -0.130 1.474 1.737 93 1HG2 ILE 11 HG21 ILE 11 2.905 1.718 3.527 94 2HG2 ILE 11 HG22 ILE 11 3.987 1.287 2.203 95 3HG2 ILE 11 HG23 ILE 11 3.307 0.027 3.232 96 1HD1 ILE 11 HD11 ILE 11 0.768 0.420 4.070 97 2HD1 ILE 11 HD12 ILE 11 -0.704 1.376 3.892 98 3HD1 ILE 11 HD13 ILE 11 0.788 2.146 4.431 99 H THR 12 HN THR 12 2.026 -0.761 -1.009 100 HA THR 12 HA THR 12 4.576 -1.938 -0.658 101 HB THR 12 HB THR 12 3.789 -3.139 -2.907 102 HG1 THR 12 HG1 THR 12 1.242 -2.961 -2.178 103 1HG2 THR 12 HG21 THR 12 4.030 -4.244 -0.752 104 2HG2 THR 12 HG22 THR 12 2.517 -4.727 -1.517 105 3HG2 THR 12 HG23 THR 12 2.505 -3.550 -0.204 106 H ASN 13 HN ASN 13 3.813 0.822 -2.269 107 HA ASN 13 HA ASN 13 5.601 0.425 -4.528 108 1HB ASN 13 HB2 ASN 13 3.801 2.682 -3.667 109 2HB ASN 13 HB1 ASN 13 4.970 2.877 -4.971 110 1HD2 ASN 13 HD21 ASN 13 2.263 0.881 -3.897 111 2HD2 ASN 13 HD22 ASN 13 1.686 0.500 -5.480 112 H TRP 14 HN TRP 14 5.409 2.447 -1.606 113 HA TRP 14 HA TRP 14 8.147 3.351 -2.080 114 1HB TRP 14 HB2 TRP 14 7.608 4.708 0.096 115 2HB TRP 14 HB1 TRP 14 6.952 5.220 -1.452 116 HD1 TRP 14 HD1 TRP 14 4.302 4.326 -1.893 117 HE1 TRP 14 HE1 TRP 14 2.366 4.286 -0.207 118 HE3 TRP 14 HE3 TRP 14 7.001 4.498 2.443 119 HZ2 TRP 14 HZ2 TRP 14 2.022 4.330 2.594 120 HZ3 TRP 14 HZ3 TRP 14 5.791 4.498 4.584 121 HH2 TRP 14 HH2 TRP 14 3.352 4.416 4.657 122 H LEU 15 HN LEU 15 6.237 1.557 0.293 123 HA LEU 15 HA LEU 15 8.245 1.200 2.207 124 1HB LEU 15 HB2 LEU 15 6.755 -0.116 3.265 125 2HB LEU 15 HB1 LEU 15 5.645 0.488 2.054 126 HG LEU 15 HG LEU 15 6.480 -1.622 0.711 127 1HD1 LEU 15 HD11 LEU 15 7.302 -3.381 1.904 128 2HD1 LEU 15 HD12 LEU 15 6.588 -2.832 3.420 129 3HD1 LEU 15 HD13 LEU 15 8.042 -2.050 2.796 130 1HD2 LEU 15 HD21 LEU 15 4.605 -2.904 1.732 131 2HD2 LEU 15 HD22 LEU 15 4.181 -1.256 1.269 132 3HD2 LEU 15 HD23 LEU 15 4.481 -1.646 2.962 133 H TRP 16 HN TRP 16 7.557 -0.491 -0.794 134 HA TRP 16 HA TRP 16 9.333 -2.660 -0.430 135 1HB TRP 16 HB2 TRP 16 7.617 -1.695 -2.483 136 2HB TRP 16 HB1 TRP 16 9.214 -1.898 -3.193 137 HD1 TRP 16 HD1 TRP 16 9.457 -4.187 -4.276 138 HE1 TRP 16 HE1 TRP 16 8.589 -6.565 -3.811 139 HE3 TRP 16 HE3 TRP 16 6.702 -3.240 -0.075 140 HZ2 TRP 16 HZ2 TRP 16 6.951 -7.867 -1.916 141 HZ3 TRP 16 HZ3 TRP 16 5.514 -5.106 1.001 142 HH2 TRP 16 HH2 TRP 16 5.636 -7.371 0.099 143 H TYR 17 HN TYR 17 9.708 0.644 -1.387 144 HA TYR 17 HA TYR 17 12.373 0.389 -2.410 145 1HB TYR 17 HB2 TYR 17 11.531 2.285 -3.330 146 2HB TYR 17 HB1 TYR 17 10.392 2.534 -2.013 147 HD1 TYR 17 HD1 TYR 17 13.910 3.053 -3.057 148 HD2 TYR 17 HD2 TYR 17 10.849 4.093 -0.290 149 HE1 TYR 17 HE1 TYR 17 15.306 4.893 -2.212 150 HE2 TYR 17 HE2 TYR 17 12.237 5.935 0.562 151 HH TYR 17 HH TYR 17 14.459 6.682 0.638 152 H ILE 18 HN ILE 18 10.886 0.919 0.673 153 HA ILE 18 HA ILE 18 13.287 1.851 1.975 154 HB ILE 18 HB ILE 18 10.753 0.850 3.278 155 1HG1 ILE 18 HG12 ILE 18 11.374 3.743 2.720 156 2HG1 ILE 18 HG11 ILE 18 10.527 2.753 1.536 157 1HG2 ILE 18 HG21 ILE 18 12.939 1.189 4.593 158 2HG2 ILE 18 HG22 ILE 18 11.464 1.924 5.220 159 3HG2 ILE 18 HG23 ILE 18 12.644 2.912 4.358 160 1HD1 ILE 18 HD11 ILE 18 8.746 3.630 2.623 161 2HD1 ILE 18 HD12 ILE 18 9.612 3.788 4.151 162 3HD1 ILE 18 HD13 ILE 18 9.009 2.212 3.637 163 H LYS 19 HN LYS 19 11.198 -0.945 2.692 164 HA LYS 19 HA LYS 19 13.037 -2.386 4.180 165 1HB LYS 19 HB2 LYS 19 10.478 -2.907 2.886 166 2HB LYS 19 HB1 LYS 19 11.510 -4.330 2.916 167 1HG LYS 19 HG2 LYS 19 11.758 -3.367 5.468 168 2HG LYS 19 HG1 LYS 19 10.075 -3.006 5.077 169 1HD LYS 19 HD2 LYS 19 11.287 -5.712 4.579 170 2HD LYS 19 HD1 LYS 19 10.568 -5.278 6.130 171 1HE LYS 19 HE2 LYS 19 8.500 -5.552 5.347 172 2HE LYS 19 HE1 LYS 19 8.840 -4.573 3.919 173 1HZ LYS 19 HZ1 LYS 19 8.236 -6.840 3.316 174 2HZ LYS 19 HZ2 LYS 19 9.517 -7.454 4.237 175 3HZ LYS 19 HZ3 LYS 19 9.836 -6.514 2.867 176 1HN NH2 20 HN1 LYS 19 13.789 -2.029 0.595 177 2HN NH2 20 HN2 LYS 19 12.910 -3.501 0.381 Start of MODEL 37 1 1H LYS 1 HT1 LYS 1 17.911 -0.238 -3.667 2 2H LYS 1 HT2 LYS 1 16.309 -0.338 -4.199 3 3H LYS 1 HT3 LYS 1 17.128 -1.738 -3.717 4 HA LYS 1 HA LYS 1 17.245 -0.962 -1.458 5 1HB LYS 1 HB2 LYS 1 16.983 1.507 -2.633 6 2HB LYS 1 HB1 LYS 1 15.399 1.282 -1.903 7 1HG LYS 1 HG2 LYS 1 17.447 0.529 -0.044 8 2HG LYS 1 HG1 LYS 1 17.755 2.151 -0.666 9 1HD LYS 1 HD2 LYS 1 14.958 1.581 0.064 10 2HD LYS 1 HD1 LYS 1 16.102 1.602 1.408 11 1HE LYS 1 HE2 LYS 1 16.781 3.824 -0.113 12 2HE LYS 1 HE1 LYS 1 15.019 3.798 -0.143 13 1HZ LYS 1 HZ1 LYS 1 16.209 3.321 2.452 14 2HZ LYS 1 HZ2 LYS 1 14.894 4.295 2.025 15 3HZ LYS 1 HZ3 LYS 1 16.472 4.871 1.826 16 H TRP 2 HN TRP 2 15.397 -1.061 0.069 17 HA TRP 2 HA TRP 2 13.309 -2.726 -1.051 18 1HB TRP 2 HB2 TRP 2 12.626 -2.974 1.364 19 2HB TRP 2 HB1 TRP 2 14.260 -3.513 0.994 20 HD1 TRP 2 HD1 TRP 2 16.269 -2.195 2.101 21 HE1 TRP 2 HE1 TRP 2 16.388 -0.459 3.997 22 HE3 TRP 2 HE3 TRP 2 11.310 -0.980 2.408 23 HZ2 TRP 2 HZ2 TRP 2 14.618 1.203 5.432 24 HZ3 TRP 2 HZ3 TRP 2 10.608 0.692 4.071 25 HH2 TRP 2 HH2 TRP 2 12.230 1.759 5.552 26 H ALA 3 HN ALA 3 13.598 0.418 -1.139 27 HA ALA 3 HA ALA 3 11.231 1.391 0.107 28 1HB ALA 3 HB1 ALA 3 12.303 3.291 -0.300 29 2HB ALA 3 HB2 ALA 3 11.890 3.115 -2.006 30 3HB ALA 3 HB3 ALA 3 13.418 2.476 -1.398 31 H SER 4 HN SER 4 11.483 -0.742 -2.328 32 HA SER 4 HA SER 4 9.275 0.347 -3.912 33 1HB SER 4 HB2 SER 4 11.006 -2.083 -4.427 34 2HB SER 4 HB1 SER 4 9.792 -1.428 -5.526 35 HG SER 4 HG SER 4 12.188 -0.811 -5.696 36 H LEU 5 HN LEU 5 8.882 -0.663 -1.202 37 HA LEU 5 HA LEU 5 6.971 -2.803 -1.847 38 1HB LEU 5 HB2 LEU 5 7.426 -3.946 0.190 39 2HB LEU 5 HB1 LEU 5 8.956 -3.682 -0.622 40 HG LEU 5 HG LEU 5 9.042 -1.556 0.957 41 1HD1 LEU 5 HD11 LEU 5 6.689 -2.741 1.840 42 2HD1 LEU 5 HD12 LEU 5 7.614 -1.482 2.658 43 3HD1 LEU 5 HD13 LEU 5 7.894 -3.178 3.052 44 1HD2 LEU 5 HD21 LEU 5 10.524 -2.726 2.303 45 2HD2 LEU 5 HD22 LEU 5 10.499 -3.687 0.825 46 3HD2 LEU 5 HD23 LEU 5 9.574 -4.210 2.233 47 H TRP 6 HN TRP 6 7.720 0.080 -0.045 48 HA TRP 6 HA TRP 6 5.298 0.056 1.493 49 1HB TRP 6 HB2 TRP 6 6.149 1.862 2.586 50 2HB TRP 6 HB1 TRP 6 7.649 1.307 1.856 51 HD1 TRP 6 HD1 TRP 6 8.750 2.843 0.004 52 HE1 TRP 6 HE1 TRP 6 8.286 5.251 -0.780 53 HE3 TRP 6 HE3 TRP 6 4.197 3.555 2.215 54 HZ2 TRP 6 HZ2 TRP 6 6.256 7.194 -0.499 55 HZ3 TRP 6 HZ3 TRP 6 3.059 5.713 1.907 56 HH2 TRP 6 HH2 TRP 6 4.069 7.496 0.579 57 H ASN 7 HN ASN 7 6.282 1.282 -1.608 58 HA ASN 7 HA ASN 7 4.355 3.241 -2.040 59 1HB ASN 7 HB2 ASN 7 4.615 2.156 -4.526 60 2HB ASN 7 HB1 ASN 7 5.742 3.309 -3.822 61 1HD2 ASN 7 HD21 ASN 7 5.107 -0.183 -3.682 62 2HD2 ASN 7 HD22 ASN 7 6.759 -0.659 -3.852 63 H TRP 8 HN TRP 8 4.045 -0.182 -1.905 64 HA TRP 8 HA TRP 8 1.258 0.020 -2.840 65 1HB TRP 8 HB2 TRP 8 1.446 -1.952 -3.938 66 2HB TRP 8 HB1 TRP 8 3.167 -1.588 -3.902 67 HD1 TRP 8 HD1 TRP 8 4.697 -3.053 -2.298 68 HE1 TRP 8 HE1 TRP 8 4.302 -5.301 -1.101 69 HE3 TRP 8 HE3 TRP 8 -0.374 -3.327 -2.770 70 HZ2 TRP 8 HZ2 TRP 8 2.112 -6.966 -0.440 71 HZ3 TRP 8 HZ3 TRP 8 -1.547 -5.266 -1.832 72 HH2 TRP 8 HH2 TRP 8 -0.331 -7.053 -0.690 73 H PHE 9 HN PHE 9 3.382 -0.932 -0.272 74 HA PHE 9 HA PHE 9 1.572 -2.498 1.227 75 1HB PHE 9 HB2 PHE 9 4.141 -2.174 1.512 76 2HB PHE 9 HB1 PHE 9 3.690 -0.793 2.507 77 HD1 PHE 9 HD1 PHE 9 3.538 -4.451 2.199 78 HD2 PHE 9 HD2 PHE 9 2.760 -1.083 4.679 79 HE1 PHE 9 HE1 PHE 9 3.220 -5.948 4.125 80 HE2 PHE 9 HE2 PHE 9 2.442 -2.573 6.610 81 HZ PHE 9 HZ PHE 9 2.671 -5.009 6.335 82 H ASN 10 HN ASN 10 1.791 0.857 0.628 83 HA ASN 10 HA ASN 10 0.190 1.565 2.958 84 1HB ASN 10 HB2 ASN 10 1.571 3.348 2.768 85 2HB ASN 10 HB1 ASN 10 1.925 3.007 1.077 86 1HD2 ASN 10 HD21 ASN 10 0.608 3.882 -0.526 87 2HD2 ASN 10 HD22 ASN 10 -0.459 5.204 -0.212 88 H ILE 11 HN ILE 11 -0.158 0.795 -0.331 89 HA ILE 11 HA ILE 11 -2.567 2.227 -0.852 90 HB ILE 11 HB ILE 11 -1.633 -0.266 -2.269 91 1HG1 ILE 11 HG12 ILE 11 -0.881 2.625 -2.760 92 2HG1 ILE 11 HG11 ILE 11 0.202 1.337 -2.235 93 1HG2 ILE 11 HG21 ILE 11 -3.059 1.974 -3.601 94 2HG2 ILE 11 HG22 ILE 11 -3.989 0.905 -2.550 95 3HG2 ILE 11 HG23 ILE 11 -3.113 0.241 -3.929 96 1HD1 ILE 11 HD11 ILE 11 0.699 1.023 -4.367 97 2HD1 ILE 11 HD12 ILE 11 -0.595 2.100 -4.892 98 3HD1 ILE 11 HD13 ILE 11 -0.934 0.395 -4.591 99 H THR 12 HN THR 12 -1.809 -0.926 0.475 100 HA THR 12 HA THR 12 -4.386 -2.067 0.258 101 HB THR 12 HB THR 12 -3.453 -3.353 2.413 102 HG1 THR 12 HG1 THR 12 -1.404 -1.732 1.611 103 1HG2 THR 12 HG21 THR 12 -1.882 -4.191 0.131 104 2HG2 THR 12 HG22 THR 12 -3.541 -3.810 -0.331 105 3HG2 THR 12 HG23 THR 12 -3.228 -5.005 0.928 106 H ASN 13 HN ASN 13 -3.511 0.625 1.914 107 HA ASN 13 HA ASN 13 -5.168 0.147 4.261 108 1HB ASN 13 HB2 ASN 13 -3.225 2.253 3.425 109 2HB ASN 13 HB1 ASN 13 -4.474 2.693 4.586 110 1HD2 ASN 13 HD21 ASN 13 -1.710 0.658 3.980 111 2HD2 ASN 13 HD22 ASN 13 -1.402 0.248 5.630 112 H TRP 14 HN TRP 14 -5.090 2.304 1.430 113 HA TRP 14 HA TRP 14 -7.782 3.229 2.088 114 1HB TRP 14 HB2 TRP 14 -7.331 4.682 -0.047 115 2HB TRP 14 HB1 TRP 14 -6.585 5.106 1.487 116 HD1 TRP 14 HD1 TRP 14 -3.929 4.185 1.742 117 HE1 TRP 14 HE1 TRP 14 -2.090 4.184 -0.047 118 HE3 TRP 14 HE3 TRP 14 -6.860 4.526 -2.428 119 HZ2 TRP 14 HZ2 TRP 14 -1.899 4.320 -2.862 120 HZ3 TRP 14 HZ3 TRP 14 -5.771 4.589 -4.633 121 HH2 TRP 14 HH2 TRP 14 -3.341 4.488 -4.844 122 H LEU 15 HN LEU 15 -6.031 1.556 -0.497 123 HA LEU 15 HA LEU 15 -8.131 1.303 -2.313 124 1HB LEU 15 HB2 LEU 15 -6.723 -0.009 -3.490 125 2HB LEU 15 HB1 LEU 15 -5.546 0.530 -2.311 126 HG LEU 15 HG LEU 15 -6.353 -1.612 -1.005 127 1HD1 LEU 15 HD11 LEU 15 -6.675 -2.646 -3.784 128 2HD1 LEU 15 HD12 LEU 15 -8.064 -1.970 -2.931 129 3HD1 LEU 15 HD13 LEU 15 -7.197 -3.351 -2.255 130 1HD2 LEU 15 HD21 LEU 15 -4.510 -2.831 -1.962 131 2HD2 LEU 15 HD22 LEU 15 -4.075 -1.127 -1.836 132 3HD2 LEU 15 HD23 LEU 15 -4.532 -1.806 -3.397 133 H TRP 16 HN TRP 16 -7.292 -0.592 0.526 134 HA TRP 16 HA TRP 16 -9.148 -2.684 0.172 135 1HB TRP 16 HB2 TRP 16 -7.237 -1.919 2.106 136 2HB TRP 16 HB1 TRP 16 -8.770 -2.045 2.960 137 HD1 TRP 16 HD1 TRP 16 -9.164 -4.362 3.926 138 HE1 TRP 16 HE1 TRP 16 -8.477 -6.769 3.323 139 HE3 TRP 16 HE3 TRP 16 -6.519 -3.405 -0.342 140 HZ2 TRP 16 HZ2 TRP 16 -7.005 -8.085 1.306 141 HZ3 TRP 16 HZ3 TRP 16 -5.499 -5.293 -1.547 142 HH2 TRP 16 HH2 TRP 16 -5.738 -7.584 -0.738 143 H TYR 17 HN TYR 17 -9.378 0.553 1.395 144 HA TYR 17 HA TYR 17 -11.988 0.256 2.555 145 1HB TYR 17 HB2 TYR 17 -11.057 2.035 3.609 146 2HB TYR 17 HB1 TYR 17 -9.964 2.375 2.273 147 HD1 TYR 17 HD1 TYR 17 -13.403 2.908 3.532 148 HD2 TYR 17 HD2 TYR 17 -10.448 4.087 0.708 149 HE1 TYR 17 HE1 TYR 17 -14.771 4.859 2.925 150 HE2 TYR 17 HE2 TYR 17 -11.806 6.043 0.094 151 HH TYR 17 HH TYR 17 -13.736 7.107 0.377 152 H ILE 18 HN ILE 18 -10.647 1.144 -0.528 153 HA ILE 18 HA ILE 18 -12.982 2.348 -1.620 154 HB ILE 18 HB ILE 18 -10.665 1.063 -3.076 155 1HG1 ILE 18 HG12 ILE 18 -11.067 3.987 -2.422 156 2HG1 ILE 18 HG11 ILE 18 -10.090 2.906 -1.435 157 1HG2 ILE 18 HG21 ILE 18 -12.040 3.312 -4.330 158 2HG2 ILE 18 HG22 ILE 18 -13.067 1.895 -4.110 159 3HG2 ILE 18 HG23 ILE 18 -11.555 1.758 -5.008 160 1HD1 ILE 18 HD11 ILE 18 -8.586 2.523 -3.277 161 2HD1 ILE 18 HD12 ILE 18 -8.757 4.255 -2.991 162 3HD1 ILE 18 HD13 ILE 18 -9.599 3.497 -4.342 163 H LYS 19 HN LYS 19 -11.501 -0.861 -2.080 164 HA LYS 19 HA LYS 19 -13.697 -1.852 -3.611 165 1HB LYS 19 HB2 LYS 19 -12.549 -3.943 -3.616 166 2HB LYS 19 HB1 LYS 19 -11.331 -2.685 -3.764 167 1HG LYS 19 HG2 LYS 19 -10.259 -3.575 -2.048 168 2HG LYS 19 HG1 LYS 19 -11.631 -3.171 -1.013 169 1HD LYS 19 HD2 LYS 19 -12.331 -5.303 -0.918 170 2HD LYS 19 HD1 LYS 19 -12.037 -5.572 -2.637 171 1HE LYS 19 HE2 LYS 19 -9.607 -5.749 -2.124 172 2HE LYS 19 HE1 LYS 19 -10.008 -5.653 -0.408 173 1HZ LYS 19 HZ1 LYS 19 -10.849 -7.750 -0.393 174 2HZ LYS 19 HZ2 LYS 19 -9.768 -7.956 -1.678 175 3HZ LYS 19 HZ3 LYS 19 -11.408 -7.676 -1.989 176 1HN NH2 20 HN1 LYS 19 -13.309 -2.786 0.205 177 2HN NH2 20 HN2 LYS 19 -14.229 -1.357 -0.107 Start of MODEL 38 1 1H LYS 1 HT1 LYS 1 -17.062 1.143 -4.248 2 2H LYS 1 HT2 LYS 1 -18.407 0.162 -3.947 3 3H LYS 1 HT3 LYS 1 -16.965 -0.528 -4.502 4 HA LYS 1 HA LYS 1 -17.696 0.377 -1.829 5 1HB LYS 1 HB2 LYS 1 -17.547 -2.014 -2.614 6 2HB LYS 1 HB1 LYS 1 -15.815 -1.779 -2.805 7 1HG LYS 1 HG2 LYS 1 -15.865 -2.714 -0.731 8 2HG LYS 1 HG1 LYS 1 -15.978 -1.008 -0.294 9 1HD LYS 1 HD2 LYS 1 -18.017 -1.275 0.580 10 2HD LYS 1 HD1 LYS 1 -18.581 -2.180 -0.826 11 1HE LYS 1 HE2 LYS 1 -18.551 -3.368 1.450 12 2HE LYS 1 HE1 LYS 1 -17.888 -4.221 0.057 13 1HZ LYS 1 HZ1 LYS 1 -16.067 -2.610 1.691 14 2HZ LYS 1 HZ2 LYS 1 -15.770 -4.039 0.837 15 3HZ LYS 1 HZ3 LYS 1 -16.593 -4.093 2.314 16 H TRP 2 HN TRP 2 -15.969 0.727 -0.244 17 HA TRP 2 HA TRP 2 -13.959 2.521 -1.314 18 1HB TRP 2 HB2 TRP 2 -13.492 3.020 1.079 19 2HB TRP 2 HB1 TRP 2 -15.177 3.269 0.636 20 HD1 TRP 2 HD1 TRP 2 -16.990 1.653 1.732 21 HE1 TRP 2 HE1 TRP 2 -16.896 0.068 3.758 22 HE3 TRP 2 HE3 TRP 2 -11.920 1.417 2.346 23 HZ2 TRP 2 HZ2 TRP 2 -14.931 -1.124 5.399 24 HZ3 TRP 2 HZ3 TRP 2 -11.015 0.034 4.167 25 HH2 TRP 2 HH2 TRP 2 -12.490 -1.210 5.661 26 H ALA 3 HN ALA 3 -13.941 -0.591 -1.372 27 HA ALA 3 HA ALA 3 -11.552 -1.253 0.089 28 1HB ALA 3 HB1 ALA 3 -13.652 -2.703 -0.976 29 2HB ALA 3 HB2 ALA 3 -12.187 -3.362 -0.248 30 3HB ALA 3 HB3 ALA 3 -12.279 -3.135 -1.995 31 H SER 4 HN SER 4 -11.341 0.915 -1.875 32 HA SER 4 HA SER 4 -9.293 -0.277 -3.626 33 1HB SER 4 HB2 SER 4 -10.464 2.290 -4.489 34 2HB SER 4 HB1 SER 4 -10.050 0.862 -5.436 35 HG SER 4 HG SER 4 -12.297 1.014 -3.714 36 H LEU 5 HN LEU 5 -8.794 0.657 -0.999 37 HA LEU 5 HA LEU 5 -6.980 2.876 -1.626 38 1HB LEU 5 HB2 LEU 5 -7.476 3.997 0.444 39 2HB LEU 5 HB1 LEU 5 -8.960 3.780 -0.463 40 HG LEU 5 HG LEU 5 -9.076 1.586 1.090 41 1HD1 LEU 5 HD11 LEU 5 -7.607 3.656 2.717 42 2HD1 LEU 5 HD12 LEU 5 -7.023 2.050 2.281 43 3HD1 LEU 5 HD13 LEU 5 -8.398 2.222 3.371 44 1HD2 LEU 5 HD21 LEU 5 -10.818 3.277 0.820 45 2HD2 LEU 5 HD22 LEU 5 -9.939 4.359 1.901 46 3HD2 LEU 5 HD23 LEU 5 -10.602 2.845 2.516 47 H TRP 6 HN TRP 6 -7.679 -0.034 0.104 48 HA TRP 6 HA TRP 6 -5.325 0.051 1.755 49 1HB TRP 6 HB2 TRP 6 -6.022 -2.030 2.618 50 2HB TRP 6 HB1 TRP 6 -7.518 -1.163 2.287 51 HD1 TRP 6 HD1 TRP 6 -9.136 -2.168 0.458 52 HE1 TRP 6 HE1 TRP 6 -9.182 -4.408 -0.811 53 HE3 TRP 6 HE3 TRP 6 -4.434 -3.835 1.579 54 HZ2 TRP 6 HZ2 TRP 6 -7.453 -6.591 -1.276 55 HZ3 TRP 6 HZ3 TRP 6 -3.705 -6.006 0.681 56 HH2 TRP 6 HH2 TRP 6 -5.186 -7.357 -0.715 57 H ASN 7 HN ASN 7 -6.189 -1.256 -1.363 58 HA ASN 7 HA ASN 7 -4.249 -3.170 -1.746 59 1HB ASN 7 HB2 ASN 7 -4.418 -1.822 -4.204 60 2HB ASN 7 HB1 ASN 7 -5.328 -3.243 -3.701 61 1HD2 ASN 7 HD21 ASN 7 -5.340 0.286 -3.503 62 2HD2 ASN 7 HD22 ASN 7 -7.057 0.458 -3.558 63 H TRP 8 HN TRP 8 -3.955 0.309 -2.037 64 HA TRP 8 HA TRP 8 -1.125 0.050 -2.731 65 1HB TRP 8 HB2 TRP 8 -1.281 2.063 -3.744 66 2HB TRP 8 HB1 TRP 8 -3.012 1.753 -3.688 67 HD1 TRP 8 HD1 TRP 8 -4.458 3.180 -1.968 68 HE1 TRP 8 HE1 TRP 8 -3.962 5.358 -0.681 69 HE3 TRP 8 HE3 TRP 8 0.602 3.328 -2.568 70 HZ2 TRP 8 HZ2 TRP 8 -1.709 6.931 -0.014 71 HZ3 TRP 8 HZ3 TRP 8 1.860 5.191 -1.580 72 HH2 TRP 8 HH2 TRP 8 0.730 6.959 -0.327 73 H PHE 9 HN PHE 9 -3.213 0.916 -0.112 74 HA PHE 9 HA PHE 9 -1.463 2.436 1.457 75 1HB PHE 9 HB2 PHE 9 -4.010 1.840 1.733 76 2HB PHE 9 HB1 PHE 9 -3.388 0.524 2.721 77 HD1 PHE 9 HD1 PHE 9 -3.804 4.141 2.437 78 HD2 PHE 9 HD2 PHE 9 -2.323 0.961 4.846 79 HE1 PHE 9 HE1 PHE 9 -3.648 5.673 4.354 80 HE2 PHE 9 HE2 PHE 9 -2.161 2.489 6.768 81 HZ PHE 9 HZ PHE 9 -2.825 4.847 6.524 82 H ASN 10 HN ASN 10 -1.638 -0.981 0.858 83 HA ASN 10 HA ASN 10 0.188 -1.593 3.037 84 1HB ASN 10 HB2 ASN 10 -0.633 -3.684 2.922 85 2HB ASN 10 HB1 ASN 10 -1.836 -3.032 1.815 86 1HD2 ASN 10 HD21 ASN 10 -1.089 -2.927 -0.509 87 2HD2 ASN 10 HD22 ASN 10 -0.219 -4.296 -1.103 88 H ILE 11 HN ILE 11 0.338 -0.646 -0.174 89 HA ILE 11 HA ILE 11 2.680 -2.069 -0.978 90 HB ILE 11 HB ILE 11 1.509 0.481 -2.100 91 1HG1 ILE 11 HG12 ILE 11 1.153 -2.424 -2.864 92 2HG1 ILE 11 HG11 ILE 11 -0.085 -1.332 -2.249 93 1HG2 ILE 11 HG21 ILE 11 3.999 -0.717 -2.592 94 2HG2 ILE 11 HG22 ILE 11 3.225 0.576 -3.508 95 3HG2 ILE 11 HG23 ILE 11 2.983 -1.106 -3.981 96 1HD1 ILE 11 HD11 ILE 11 -0.415 -1.587 -4.588 97 2HD1 ILE 11 HD12 ILE 11 1.278 -1.228 -4.928 98 3HD1 ILE 11 HD13 ILE 11 0.214 0.037 -4.312 99 H THR 12 HN THR 12 2.050 1.023 0.569 100 HA THR 12 HA THR 12 4.677 2.074 0.316 101 HB THR 12 HB THR 12 3.778 3.317 2.541 102 HG1 THR 12 HG1 THR 12 1.408 2.644 1.113 103 1HG2 THR 12 HG21 THR 12 3.644 3.791 -0.329 104 2HG2 THR 12 HG22 THR 12 4.077 4.892 0.979 105 3HG2 THR 12 HG23 THR 12 2.381 4.643 0.561 106 H ASN 13 HN ASN 13 3.708 -0.622 1.882 107 HA ASN 13 HA ASN 13 5.347 -0.290 4.261 108 1HB ASN 13 HB2 ASN 13 3.548 -2.495 3.270 109 2HB ASN 13 HB1 ASN 13 4.607 -2.712 4.661 110 1HD2 ASN 13 HD21 ASN 13 1.570 -2.344 4.063 111 2HD2 ASN 13 HD22 ASN 13 1.069 -1.279 5.328 112 H TRP 14 HN TRP 14 5.240 -2.480 1.436 113 HA TRP 14 HA TRP 14 7.912 -3.430 2.066 114 1HB TRP 14 HB2 TRP 14 7.520 -4.727 -0.163 115 2HB TRP 14 HB1 TRP 14 6.666 -5.218 1.295 116 HD1 TRP 14 HD1 TRP 14 4.029 -4.495 1.436 117 HE1 TRP 14 HE1 TRP 14 2.306 -4.187 -0.439 118 HE3 TRP 14 HE3 TRP 14 7.222 -3.991 -2.518 119 HZ2 TRP 14 HZ2 TRP 14 2.296 -3.783 -3.237 120 HZ3 TRP 14 HZ3 TRP 14 6.277 -3.647 -4.762 121 HH2 TRP 14 HH2 TRP 14 3.863 -3.545 -5.113 122 H LEU 15 HN LEU 15 6.302 -1.499 -0.427 123 HA LEU 15 HA LEU 15 8.472 -1.214 -2.161 124 1HB LEU 15 HB2 LEU 15 7.147 0.211 -3.292 125 2HB LEU 15 HB1 LEU 15 5.913 -0.315 -2.167 126 HG LEU 15 HG LEU 15 6.768 1.695 -0.729 127 1HD1 LEU 15 HD11 LEU 15 7.355 2.859 -3.415 128 2HD1 LEU 15 HD12 LEU 15 8.629 2.034 -2.515 129 3HD1 LEU 15 HD13 LEU 15 7.818 3.436 -1.814 130 1HD2 LEU 15 HD21 LEU 15 5.160 2.240 -3.214 131 2HD2 LEU 15 HD22 LEU 15 5.060 3.068 -1.660 132 3HD2 LEU 15 HD23 LEU 15 4.527 1.392 -1.803 133 H TRP 16 HN TRP 16 7.607 0.522 0.780 134 HA TRP 16 HA TRP 16 9.579 2.532 0.625 135 1HB TRP 16 HB2 TRP 16 7.567 1.754 2.449 136 2HB TRP 16 HB1 TRP 16 9.076 1.752 3.354 137 HD1 TRP 16 HD1 TRP 16 9.552 3.991 4.464 138 HE1 TRP 16 HE1 TRP 16 9.002 6.458 3.982 139 HE3 TRP 16 HE3 TRP 16 7.012 3.411 0.067 140 HZ2 TRP 16 HZ2 TRP 16 7.667 7.959 2.002 141 HZ3 TRP 16 HZ3 TRP 16 6.129 5.414 -1.057 142 HH2 TRP 16 HH2 TRP 16 6.450 7.641 -0.108 143 H TYR 17 HN TYR 17 9.599 -0.785 1.616 144 HA TYR 17 HA TYR 17 12.152 -0.731 2.912 145 1HB TYR 17 HB2 TYR 17 11.069 -2.562 3.710 146 2HB TYR 17 HB1 TYR 17 10.072 -2.721 2.270 147 HD1 TYR 17 HD1 TYR 17 10.648 -4.252 0.540 148 HD2 TYR 17 HD2 TYR 17 13.343 -3.571 3.761 149 HE1 TYR 17 HE1 TYR 17 11.967 -6.207 -0.157 150 HE2 TYR 17 HE2 TYR 17 14.671 -5.522 3.071 151 HH TYR 17 HH TYR 17 13.846 -7.851 1.515 152 H ILE 18 HN ILE 18 11.015 -0.894 -0.306 153 HA ILE 18 HA ILE 18 13.540 -1.940 -1.349 154 HB ILE 18 HB ILE 18 11.044 -1.153 -2.863 155 1HG1 ILE 18 HG12 ILE 18 11.824 -4.003 -2.515 156 2HG1 ILE 18 HG11 ILE 18 11.129 -3.193 -1.114 157 1HG2 ILE 18 HG21 ILE 18 12.118 -2.707 -4.588 158 2HG2 ILE 18 HG22 ILE 18 13.600 -2.520 -3.650 159 3HG2 ILE 18 HG23 ILE 18 12.832 -1.108 -4.375 160 1HD1 ILE 18 HD11 ILE 18 9.132 -3.656 -1.946 161 2HD1 ILE 18 HD12 ILE 18 9.837 -4.230 -3.457 162 3HD1 ILE 18 HD13 ILE 18 9.470 -2.518 -3.250 163 H LYS 19 HN LYS 19 11.401 0.622 -2.552 164 HA LYS 19 HA LYS 19 13.342 2.139 -3.805 165 1HB LYS 19 HB2 LYS 19 10.916 2.413 -4.142 166 2HB LYS 19 HB1 LYS 19 10.776 3.117 -2.538 167 1HG LYS 19 HG2 LYS 19 11.781 5.088 -3.166 168 2HG LYS 19 HG1 LYS 19 12.629 4.345 -4.524 169 1HD LYS 19 HD2 LYS 19 11.017 5.135 -5.845 170 2HD LYS 19 HD1 LYS 19 9.923 3.981 -5.081 171 1HE LYS 19 HE2 LYS 19 10.434 6.549 -3.679 172 2HE LYS 19 HE1 LYS 19 9.425 6.590 -5.125 173 1HZ LYS 19 HZ1 LYS 19 8.926 4.738 -2.858 174 2HZ LYS 19 HZ2 LYS 19 7.892 5.088 -4.149 175 3HZ LYS 19 HZ3 LYS 19 8.204 6.265 -2.975 176 1HN NH2 20 HN1 LYS 19 11.938 3.007 -0.539 177 2HN NH2 20 HN2 LYS 19 13.045 4.327 -0.399 Start of MODEL 39 1 1H LYS 1 HT1 LYS 1 -15.545 -0.376 -5.315 2 2H LYS 1 HT2 LYS 1 -16.266 1.147 -5.465 3 3H LYS 1 HT3 LYS 1 -17.229 -0.228 -5.259 4 HA LYS 1 HA LYS 1 -17.122 0.977 -3.202 5 1HB LYS 1 HB2 LYS 1 -16.058 -1.728 -3.594 6 2HB LYS 1 HB1 LYS 1 -15.607 -1.014 -2.053 7 1HG LYS 1 HG2 LYS 1 -18.243 -0.421 -2.124 8 2HG LYS 1 HG1 LYS 1 -18.218 -1.944 -3.015 9 1HD LYS 1 HD2 LYS 1 -17.156 -3.071 -1.187 10 2HD LYS 1 HD1 LYS 1 -16.922 -1.550 -0.322 11 1HE LYS 1 HE2 LYS 1 -18.798 -2.223 0.749 12 2HE LYS 1 HE1 LYS 1 -19.577 -1.464 -0.640 13 1HZ LYS 1 HZ1 LYS 1 -20.536 -3.603 -0.318 14 2HZ LYS 1 HZ2 LYS 1 -19.021 -4.354 -0.259 15 3HZ LYS 1 HZ3 LYS 1 -19.578 -3.688 -1.710 16 H TRP 2 HN TRP 2 -15.477 0.929 -1.172 17 HA TRP 2 HA TRP 2 -13.243 2.604 -2.038 18 1HB TRP 2 HB2 TRP 2 -13.117 3.263 0.356 19 2HB TRP 2 HB1 TRP 2 -14.689 3.590 -0.364 20 HD1 TRP 2 HD1 TRP 2 -16.755 2.072 0.456 21 HE1 TRP 2 HE1 TRP 2 -17.106 0.691 2.600 22 HE3 TRP 2 HE3 TRP 2 -11.909 1.826 2.069 23 HZ2 TRP 2 HZ2 TRP 2 -15.536 -0.362 4.696 24 HZ3 TRP 2 HZ3 TRP 2 -11.419 0.614 4.152 25 HH2 TRP 2 HH2 TRP 2 -13.197 -0.457 5.438 26 H ALA 3 HN ALA 3 -13.492 -0.495 -1.888 27 HA ALA 3 HA ALA 3 -11.451 -1.236 -0.002 28 1HB ALA 3 HB1 ALA 3 -11.805 -3.450 -0.688 29 2HB ALA 3 HB2 ALA 3 -12.443 -2.954 -2.255 30 3HB ALA 3 HB3 ALA 3 -13.392 -2.688 -0.793 31 H SER 4 HN SER 4 -10.931 0.682 -2.333 32 HA SER 4 HA SER 4 -8.630 -0.751 -3.478 33 1HB SER 4 HB2 SER 4 -10.680 0.560 -4.815 34 2HB SER 4 HB1 SER 4 -9.348 1.715 -4.849 35 HG SER 4 HG SER 4 -8.577 0.534 -6.393 36 H LEU 5 HN LEU 5 -8.913 0.816 -0.916 37 HA LEU 5 HA LEU 5 -6.761 2.758 -1.444 38 1HB LEU 5 HB2 LEU 5 -7.547 4.036 0.493 39 2HB LEU 5 HB1 LEU 5 -8.768 3.920 -0.759 40 HG LEU 5 HG LEU 5 -9.585 1.872 0.722 41 1HD1 LEU 5 HD11 LEU 5 -8.134 1.740 2.484 42 2HD1 LEU 5 HD12 LEU 5 -9.339 2.836 3.161 43 3HD1 LEU 5 HD13 LEU 5 -7.830 3.477 2.509 44 1HD2 LEU 5 HD21 LEU 5 -10.100 4.802 1.149 45 2HD2 LEU 5 HD22 LEU 5 -11.022 3.545 1.974 46 3HD2 LEU 5 HD23 LEU 5 -11.049 3.646 0.214 47 H TRP 6 HN TRP 6 -7.652 -0.093 0.148 48 HA TRP 6 HA TRP 6 -5.654 0.200 2.239 49 1HB TRP 6 HB2 TRP 6 -6.499 -1.806 3.187 50 2HB TRP 6 HB1 TRP 6 -7.902 -0.899 2.641 51 HD1 TRP 6 HD1 TRP 6 -9.469 -2.043 0.893 52 HE1 TRP 6 HE1 TRP 6 -9.510 -4.364 -0.219 53 HE3 TRP 6 HE3 TRP 6 -4.830 -3.689 2.275 54 HZ2 TRP 6 HZ2 TRP 6 -7.801 -6.598 -0.475 55 HZ3 TRP 6 HZ3 TRP 6 -4.107 -5.926 1.554 56 HH2 TRP 6 HH2 TRP 6 -5.565 -7.352 0.209 57 H ASN 7 HN ASN 7 -6.063 -1.351 -0.851 58 HA ASN 7 HA ASN 7 -4.063 -3.285 -0.722 59 1HB ASN 7 HB2 ASN 7 -4.651 -1.621 -3.168 60 2HB ASN 7 HB1 ASN 7 -4.045 -3.273 -3.112 61 1HD2 ASN 7 HD21 ASN 7 -6.700 -1.423 -3.631 62 2HD2 ASN 7 HD22 ASN 7 -7.933 -2.600 -3.346 63 H TRP 8 HN TRP 8 -3.835 -0.013 -2.009 64 HA TRP 8 HA TRP 8 -1.006 -0.023 -2.250 65 1HB TRP 8 HB2 TRP 8 -1.279 1.994 -3.247 66 2HB TRP 8 HB1 TRP 8 -2.972 1.520 -3.273 67 HD1 TRP 8 HD1 TRP 8 -4.611 2.740 -1.519 68 HE1 TRP 8 HE1 TRP 8 -4.380 4.972 -0.248 69 HE3 TRP 8 HE3 TRP 8 0.385 3.488 -2.135 70 HZ2 TRP 8 HZ2 TRP 8 -2.328 6.810 0.404 71 HZ3 TRP 8 HZ3 TRP 8 1.415 5.487 -1.166 72 HH2 TRP 8 HH2 TRP 8 0.090 7.123 0.079 73 H PHE 9 HN PHE 9 -3.203 0.731 0.323 74 HA PHE 9 HA PHE 9 -1.531 2.326 1.925 75 1HB PHE 9 HB2 PHE 9 -4.089 1.631 2.123 76 2HB PHE 9 HB1 PHE 9 -3.427 0.409 3.202 77 HD1 PHE 9 HD1 PHE 9 -4.325 3.868 2.801 78 HD2 PHE 9 HD2 PHE 9 -2.131 1.132 5.212 79 HE1 PHE 9 HE1 PHE 9 -4.289 5.515 4.629 80 HE2 PHE 9 HE2 PHE 9 -2.088 2.774 7.044 81 HZ PHE 9 HZ PHE 9 -3.169 4.968 6.755 82 H ASN 10 HN ASN 10 -1.533 -1.039 1.227 83 HA ASN 10 HA ASN 10 0.258 -1.613 3.467 84 1HB ASN 10 HB2 ASN 10 -0.882 -3.541 3.531 85 2HB ASN 10 HB1 ASN 10 -1.727 -3.134 2.041 86 1HD2 ASN 10 HD21 ASN 10 -0.789 -3.762 0.044 87 2HD2 ASN 10 HD22 ASN 10 0.310 -5.093 -0.034 88 H ILE 11 HN ILE 11 0.250 -0.950 0.149 89 HA ILE 11 HA ILE 11 2.623 -2.360 -0.580 90 HB ILE 11 HB ILE 11 1.392 0.033 -1.953 91 1HG1 ILE 11 HG12 ILE 11 0.927 -2.931 -2.362 92 2HG1 ILE 11 HG11 ILE 11 -0.241 -1.768 -1.742 93 1HG2 ILE 11 HG21 ILE 11 2.823 -0.282 -3.678 94 2HG2 ILE 11 HG22 ILE 11 2.884 -2.030 -3.451 95 3HG2 ILE 11 HG23 ILE 11 3.837 -0.972 -2.410 96 1HD1 ILE 11 HD11 ILE 11 -0.448 -0.718 -3.845 97 2HD1 ILE 11 HD12 ILE 11 -0.525 -2.455 -4.141 98 3HD1 ILE 11 HD13 ILE 11 0.958 -1.566 -4.487 99 H THR 12 HN THR 12 1.920 0.804 0.736 100 HA THR 12 HA THR 12 4.461 1.974 0.233 101 HB THR 12 HB THR 12 3.615 3.322 2.428 102 HG1 THR 12 HG1 THR 12 1.131 3.165 1.460 103 1HG2 THR 12 HG21 THR 12 2.049 4.378 0.369 104 2HG2 THR 12 HG22 THR 12 3.423 3.622 -0.434 105 3HG2 THR 12 HG23 THR 12 3.692 4.848 0.803 106 H ASN 13 HN ASN 13 3.719 -0.628 2.087 107 HA ASN 13 HA ASN 13 5.491 -0.015 4.311 108 1HB ASN 13 HB2 ASN 13 3.509 -2.123 3.686 109 2HB ASN 13 HB1 ASN 13 4.886 -2.628 4.661 110 1HD2 ASN 13 HD21 ASN 13 1.963 -0.847 4.562 111 2HD2 ASN 13 HD22 ASN 13 1.941 -0.361 6.220 112 H TRP 14 HN TRP 14 5.365 -2.268 1.558 113 HA TRP 14 HA TRP 14 8.112 -3.086 2.127 114 1HB TRP 14 HB2 TRP 14 7.621 -4.607 0.049 115 2HB TRP 14 HB1 TRP 14 6.957 -5.017 1.624 116 HD1 TRP 14 HD1 TRP 14 4.291 -4.237 1.983 117 HE1 TRP 14 HE1 TRP 14 2.372 -4.313 0.280 118 HE3 TRP 14 HE3 TRP 14 7.036 -4.436 -2.321 119 HZ2 TRP 14 HZ2 TRP 14 2.058 -4.448 -2.525 120 HZ3 TRP 14 HZ3 TRP 14 5.851 -4.539 -4.473 121 HH2 TRP 14 HH2 TRP 14 3.412 -4.545 -4.572 122 H LEU 15 HN LEU 15 6.200 -1.527 -0.412 123 HA LEU 15 HA LEU 15 8.222 -1.280 -2.322 124 1HB LEU 15 HB2 LEU 15 6.725 -0.069 -3.491 125 2HB LEU 15 HB1 LEU 15 5.612 -0.592 -2.246 126 HG LEU 15 HG LEU 15 6.362 1.618 -1.054 127 1HD1 LEU 15 HD11 LEU 15 6.662 2.548 -3.877 128 2HD1 LEU 15 HD12 LEU 15 8.064 1.956 -2.983 129 3HD1 LEU 15 HD13 LEU 15 7.149 3.337 -2.376 130 1HD2 LEU 15 HD21 LEU 15 4.571 1.850 -3.452 131 2HD2 LEU 15 HD22 LEU 15 4.447 2.683 -1.904 132 3HD2 LEU 15 HD23 LEU 15 4.104 0.956 -2.005 133 H TRP 16 HN TRP 16 7.457 0.650 0.511 134 HA TRP 16 HA TRP 16 9.222 2.795 0.007 135 1HB TRP 16 HB2 TRP 16 7.447 2.015 2.070 136 2HB TRP 16 HB1 TRP 16 9.021 2.241 2.824 137 HD1 TRP 16 HD1 TRP 16 9.316 4.600 3.717 138 HE1 TRP 16 HE1 TRP 16 8.505 6.953 3.061 139 HE3 TRP 16 HE3 TRP 16 6.582 3.392 -0.431 140 HZ2 TRP 16 HZ2 TRP 16 6.917 8.140 1.054 141 HZ3 TRP 16 HZ3 TRP 16 5.446 5.195 -1.661 142 HH2 TRP 16 HH2 TRP 16 5.610 7.520 -0.931 143 H TYR 17 HN TYR 17 9.608 -0.391 1.346 144 HA TYR 17 HA TYR 17 12.236 -0.003 2.391 145 1HB TYR 17 HB2 TYR 17 11.398 -1.835 3.435 146 2HB TYR 17 HB1 TYR 17 10.314 -2.219 2.104 147 HD1 TYR 17 HD1 TYR 17 10.912 -3.838 0.458 148 HD2 TYR 17 HD2 TYR 17 13.754 -2.629 3.385 149 HE1 TYR 17 HE1 TYR 17 12.369 -5.712 -0.190 150 HE2 TYR 17 HE2 TYR 17 15.219 -4.497 2.744 151 HH TYR 17 HH TYR 17 15.549 -6.175 1.316 152 H ILE 18 HN ILE 18 10.870 -1.023 -0.662 153 HA ILE 18 HA ILE 18 13.264 -2.026 -1.817 154 HB ILE 18 HB ILE 18 10.774 -0.961 -3.163 155 1HG1 ILE 18 HG12 ILE 18 11.452 -3.863 -2.924 156 2HG1 ILE 18 HG11 ILE 18 10.776 -3.039 -1.523 157 1HG2 ILE 18 HG21 ILE 18 11.533 -1.736 -5.179 158 2HG2 ILE 18 HG22 ILE 18 12.607 -2.927 -4.444 159 3HG2 ILE 18 HG23 ILE 18 13.055 -1.221 -4.452 160 1HD1 ILE 18 HD11 ILE 18 8.748 -3.278 -2.358 161 2HD1 ILE 18 HD12 ILE 18 9.426 -4.113 -3.755 162 3HD1 ILE 18 HD13 ILE 18 9.212 -2.363 -3.792 163 H LYS 19 HN LYS 19 11.803 1.148 -1.591 164 HA LYS 19 HA LYS 19 13.552 2.363 -3.520 165 1HB LYS 19 HB2 LYS 19 11.588 3.453 -1.514 166 2HB LYS 19 HB1 LYS 19 12.612 4.510 -2.476 167 1HG LYS 19 HG2 LYS 19 11.013 2.449 -3.893 168 2HG LYS 19 HG1 LYS 19 10.176 3.859 -3.240 169 1HD LYS 19 HD2 LYS 19 11.585 5.345 -4.505 170 2HD LYS 19 HD1 LYS 19 12.583 3.997 -5.053 171 1HE LYS 19 HE2 LYS 19 11.042 3.297 -6.577 172 2HE LYS 19 HE1 LYS 19 9.675 3.856 -5.612 173 1HZ LYS 19 HZ1 LYS 19 9.868 5.215 -7.566 174 2HZ LYS 19 HZ2 LYS 19 11.497 5.544 -7.249 175 3HZ LYS 19 HZ3 LYS 19 10.298 6.155 -6.225 176 1HN NH2 20 HN1 LYS 19 13.448 2.497 0.123 177 2HN NH2 20 HN2 LYS 19 14.736 3.647 0.170 Start of MODEL 40 1 1H LYS 1 HT1 LYS 1 17.051 -1.132 3.914 2 2H LYS 1 HT2 LYS 1 15.430 -0.710 4.151 3 3H LYS 1 HT3 LYS 1 16.658 0.236 4.829 4 HA LYS 1 HA LYS 1 17.122 1.309 2.930 5 1HB LYS 1 HB2 LYS 1 16.818 0.187 0.692 6 2HB LYS 1 HB1 LYS 1 17.959 -0.602 1.769 7 1HG LYS 1 HG2 LYS 1 16.720 -2.466 1.933 8 2HG LYS 1 HG1 LYS 1 15.194 -1.580 1.941 9 1HD LYS 1 HD2 LYS 1 15.303 -2.901 -0.063 10 2HD LYS 1 HD1 LYS 1 15.471 -1.200 -0.502 11 1HE LYS 1 HE2 LYS 1 17.206 -1.991 -1.719 12 2HE LYS 1 HE1 LYS 1 18.056 -1.833 -0.182 13 1HZ LYS 1 HZ1 LYS 1 17.734 -4.141 0.255 14 2HZ LYS 1 HZ2 LYS 1 18.385 -4.000 -1.300 15 3HZ LYS 1 HZ3 LYS 1 16.738 -4.329 -1.100 16 H TRP 2 HN TRP 2 15.648 1.653 0.644 17 HA TRP 2 HA TRP 2 13.307 2.903 1.646 18 1HB TRP 2 HB2 TRP 2 12.849 3.419 -0.753 19 2HB TRP 2 HB1 TRP 2 14.459 3.891 -0.222 20 HD1 TRP 2 HD1 TRP 2 16.519 2.743 -1.388 21 HE1 TRP 2 HE1 TRP 2 16.754 1.190 -3.427 22 HE3 TRP 2 HE3 TRP 2 11.608 1.456 -2.006 23 HZ2 TRP 2 HZ2 TRP 2 15.082 -0.371 -5.077 24 HZ3 TRP 2 HZ3 TRP 2 11.011 -0.072 -3.839 25 HH2 TRP 2 HH2 TRP 2 12.714 -0.966 -5.343 26 H ALA 3 HN ALA 3 13.769 -0.263 1.296 27 HA ALA 3 HA ALA 3 11.532 -1.127 -0.211 28 1HB ALA 3 HB1 ALA 3 12.247 -3.010 1.837 29 2HB ALA 3 HB2 ALA 3 13.694 -2.334 1.089 30 3HB ALA 3 HB3 ALA 3 12.468 -3.116 0.090 31 H SER 4 HN SER 4 11.420 0.711 2.433 32 HA SER 4 HA SER 4 9.183 -0.707 3.692 33 1HB SER 4 HB2 SER 4 9.453 0.973 5.522 34 2HB SER 4 HB1 SER 4 10.891 -0.011 5.256 35 HG SER 4 HG SER 4 11.295 1.974 3.713 36 H LEU 5 HN LEU 5 8.879 0.600 1.120 37 HA LEU 5 HA LEU 5 6.834 2.561 1.896 38 1HB LEU 5 HB2 LEU 5 7.347 3.957 0.005 39 2HB LEU 5 HB1 LEU 5 8.789 3.739 0.975 40 HG LEU 5 HG LEU 5 9.242 1.799 -0.790 41 1HD1 LEU 5 HD11 LEU 5 6.953 3.007 -1.857 42 2HD1 LEU 5 HD12 LEU 5 8.011 1.831 -2.636 43 3HD1 LEU 5 HD13 LEU 5 8.298 3.558 -2.855 44 1HD2 LEU 5 HD21 LEU 5 10.834 3.178 -1.706 45 2HD2 LEU 5 HD22 LEU 5 10.459 4.048 -0.219 46 3HD2 LEU 5 HD23 LEU 5 9.758 4.574 -1.750 47 H TRP 6 HN TRP 6 7.631 -0.257 0.214 48 HA TRP 6 HA TRP 6 5.420 -0.053 -1.663 49 1HB TRP 6 HB2 TRP 6 6.281 -1.921 -2.737 50 2HB TRP 6 HB1 TRP 6 7.738 -1.178 -2.087 51 HD1 TRP 6 HD1 TRP 6 9.103 -2.533 -0.294 52 HE1 TRP 6 HE1 TRP 6 8.942 -4.938 0.605 53 HE3 TRP 6 HE3 TRP 6 4.513 -3.798 -2.163 54 HZ2 TRP 6 HZ2 TRP 6 7.115 -7.088 0.533 55 HZ3 TRP 6 HZ3 TRP 6 3.632 -6.049 -1.701 56 HH2 TRP 6 HH2 TRP 6 4.908 -7.659 -0.382 57 H ASN 7 HN ASN 7 6.205 -1.605 1.365 58 HA ASN 7 HA ASN 7 4.244 -3.565 1.479 59 1HB ASN 7 HB2 ASN 7 4.388 -2.606 4.082 60 2HB ASN 7 HB1 ASN 7 5.388 -3.874 3.381 61 1HD2 ASN 7 HD21 ASN 7 5.209 -0.332 3.503 62 2HD2 ASN 7 HD22 ASN 7 6.905 -0.085 3.713 63 H TRP 8 HN TRP 8 3.925 -0.154 1.614 64 HA TRP 8 HA TRP 8 1.114 -0.415 2.456 65 1HB TRP 8 HB2 TRP 8 1.268 1.529 3.610 66 2HB TRP 8 HB1 TRP 8 2.989 1.162 3.606 67 HD1 TRP 8 HD1 TRP 8 4.557 2.659 2.056 68 HE1 TRP 8 HE1 TRP 8 4.190 4.946 0.926 69 HE3 TRP 8 HE3 TRP 8 -0.513 2.950 2.483 70 HZ2 TRP 8 HZ2 TRP 8 2.017 6.648 0.298 71 HZ3 TRP 8 HZ3 TRP 8 -1.666 4.924 1.597 72 HH2 TRP 8 HH2 TRP 8 -0.429 6.741 0.527 73 H PHE 9 HN PHE 9 3.252 0.548 -0.076 74 HA PHE 9 HA PHE 9 1.505 2.203 -1.550 75 1HB PHE 9 HB2 PHE 9 4.081 1.675 -1.825 76 2HB PHE 9 HB1 PHE 9 3.488 0.451 -2.943 77 HD1 PHE 9 HD1 PHE 9 3.846 4.029 -2.308 78 HD2 PHE 9 HD2 PHE 9 2.425 1.077 -5.024 79 HE1 PHE 9 HE1 PHE 9 3.664 5.740 -4.066 80 HE2 PHE 9 HE2 PHE 9 2.241 2.783 -6.788 81 HZ PHE 9 HZ PHE 9 2.861 5.118 -6.310 82 H ASN 10 HN ASN 10 1.659 -1.202 -1.083 83 HA ASN 10 HA ASN 10 -0.029 -1.758 -3.391 84 1HB ASN 10 HB2 ASN 10 0.293 -4.096 -2.873 85 2HB ASN 10 HB1 ASN 10 1.856 -3.288 -2.808 86 1HD2 ASN 10 HD21 ASN 10 -0.826 -4.395 -0.794 87 2HD2 ASN 10 HD22 ASN 10 0.130 -4.727 0.606 88 H ILE 11 HN ILE 11 -0.321 -0.990 -0.127 89 HA ILE 11 HA ILE 11 -2.742 -2.425 0.420 90 HB ILE 11 HB ILE 11 -1.668 -0.021 1.895 91 1HG1 ILE 11 HG12 ILE 11 -1.087 -2.968 2.268 92 2HG1 ILE 11 HG11 ILE 11 0.066 -1.714 1.822 93 1HG2 ILE 11 HG21 ILE 11 -3.108 -2.087 3.370 94 2HG2 ILE 11 HG22 ILE 11 -4.086 -1.286 2.140 95 3HG2 ILE 11 HG23 ILE 11 -3.297 -0.334 3.397 96 1HD1 ILE 11 HD11 ILE 11 0.174 -2.476 4.198 97 2HD1 ILE 11 HD12 ILE 11 -1.414 -1.747 4.438 98 3HD1 ILE 11 HD13 ILE 11 -0.040 -0.739 3.983 99 H THR 12 HN THR 12 -1.910 0.731 -0.832 100 HA THR 12 HA THR 12 -4.415 1.984 -0.516 101 HB THR 12 HB THR 12 -3.437 3.151 -2.782 102 HG1 THR 12 HG1 THR 12 -1.193 2.186 -1.306 103 1HG2 THR 12 HG21 THR 12 -3.083 3.601 0.130 104 2HG2 THR 12 HG22 THR 12 -3.823 4.633 -1.094 105 3HG2 THR 12 HG23 THR 12 -2.066 4.541 -0.962 106 H ASN 13 HN ASN 13 -3.706 -0.723 -2.261 107 HA ASN 13 HA ASN 13 -5.451 -0.157 -4.517 108 1HB ASN 13 HB2 ASN 13 -4.008 -2.713 -3.781 109 2HB ASN 13 HB1 ASN 13 -4.830 -2.389 -5.304 110 1HD2 ASN 13 HD21 ASN 13 -1.960 -2.929 -4.445 111 2HD2 ASN 13 HD22 ASN 13 -1.054 -1.703 -5.257 112 H TRP 14 HN TRP 14 -5.374 -2.357 -1.716 113 HA TRP 14 HA TRP 14 -8.135 -3.137 -2.273 114 1HB TRP 14 HB2 TRP 14 -7.666 -4.626 -0.161 115 2HB TRP 14 HB1 TRP 14 -7.022 -5.079 -1.733 116 HD1 TRP 14 HD1 TRP 14 -4.346 -4.268 -2.121 117 HE1 TRP 14 HE1 TRP 14 -2.415 -4.376 -0.432 118 HE3 TRP 14 HE3 TRP 14 -7.067 -4.544 2.194 119 HZ2 TRP 14 HZ2 TRP 14 -2.084 -4.563 2.366 120 HZ3 TRP 14 HZ3 TRP 14 -5.866 -4.686 4.337 121 HH2 TRP 14 HH2 TRP 14 -3.426 -4.696 4.420 122 H LEU 15 HN LEU 15 -6.209 -1.511 0.197 123 HA LEU 15 HA LEU 15 -8.214 -1.216 2.124 124 1HB LEU 15 HB2 LEU 15 -6.706 0.027 3.247 125 2HB LEU 15 HB1 LEU 15 -5.604 -0.549 2.015 126 HG LEU 15 HG LEU 15 -6.365 1.632 0.758 127 1HD1 LEU 15 HD11 LEU 15 -7.071 2.145 3.625 128 2HD1 LEU 15 HD12 LEU 15 -8.006 2.496 2.172 129 3HD1 LEU 15 HD13 LEU 15 -6.573 3.453 2.550 130 1HD2 LEU 15 HD21 LEU 15 -4.391 2.660 1.472 131 2HD2 LEU 15 HD22 LEU 15 -4.090 0.938 1.709 132 3HD2 LEU 15 HD23 LEU 15 -4.504 1.959 3.086 133 H TRP 16 HN TRP 16 -7.471 0.615 -0.778 134 HA TRP 16 HA TRP 16 -9.202 2.797 -0.334 135 1HB TRP 16 HB2 TRP 16 -7.485 1.911 -2.400 136 2HB TRP 16 HB1 TRP 16 -9.076 2.101 -3.130 137 HD1 TRP 16 HD1 TRP 16 -9.353 4.410 -4.158 138 HE1 TRP 16 HE1 TRP 16 -8.538 6.793 -3.624 139 HE3 TRP 16 HE3 TRP 16 -6.616 3.410 0.042 140 HZ2 TRP 16 HZ2 TRP 16 -6.944 8.078 -1.679 141 HZ3 TRP 16 HZ3 TRP 16 -5.475 5.271 1.178 142 HH2 TRP 16 HH2 TRP 16 -5.636 7.555 0.333 143 H TYR 17 HN TYR 17 -9.670 -0.464 -1.351 144 HA TYR 17 HA TYR 17 -12.352 -0.091 -2.340 145 1HB TYR 17 HB2 TYR 17 -11.525 -1.926 -3.410 146 2HB TYR 17 HB1 TYR 17 -10.413 -2.314 -2.103 147 HD1 TYR 17 HD1 TYR 17 -10.957 -3.962 -0.488 148 HD2 TYR 17 HD2 TYR 17 -13.923 -2.637 -3.236 149 HE1 TYR 17 HE1 TYR 17 -12.421 -5.810 0.211 150 HE2 TYR 17 HE2 TYR 17 -15.396 -4.480 -2.543 151 HH TYR 17 HH TYR 17 -15.244 -6.066 0.096 152 H ILE 18 HN ILE 18 -10.774 -0.917 0.642 153 HA ILE 18 HA ILE 18 -13.052 -1.975 1.989 154 HB ILE 18 HB ILE 18 -10.534 -0.765 3.149 155 1HG1 ILE 18 HG12 ILE 18 -11.179 -3.691 2.777 156 2HG1 ILE 18 HG11 ILE 18 -10.296 -2.758 1.574 157 1HG2 ILE 18 HG21 ILE 18 -11.460 -2.661 4.912 158 2HG2 ILE 18 HG22 ILE 18 -12.941 -1.880 4.357 159 3HG2 ILE 18 HG23 ILE 18 -11.653 -0.915 5.078 160 1HD1 ILE 18 HD11 ILE 18 -8.941 -4.139 3.214 161 2HD1 ILE 18 HD12 ILE 18 -9.385 -2.934 4.423 162 3HD1 ILE 18 HD13 ILE 18 -8.465 -2.456 2.996 163 H LYS 19 HN LYS 19 -11.547 1.217 1.798 164 HA LYS 19 HA LYS 19 -13.331 2.429 3.678 165 1HB LYS 19 HB2 LYS 19 -11.122 3.314 1.919 166 2HB LYS 19 HB1 LYS 19 -12.322 4.535 2.318 167 1HG LYS 19 HG2 LYS 19 -11.832 3.424 4.757 168 2HG LYS 19 HG1 LYS 19 -10.251 3.318 3.979 169 1HD LYS 19 HD2 LYS 19 -11.775 5.872 3.791 170 2HD LYS 19 HD1 LYS 19 -10.976 5.473 5.313 171 1HE LYS 19 HE2 LYS 19 -9.243 4.995 3.048 172 2HE LYS 19 HE1 LYS 19 -9.828 6.660 3.069 173 1HZ LYS 19 HZ1 LYS 19 -7.806 6.525 4.329 174 2HZ LYS 19 HZ2 LYS 19 -8.405 5.252 5.269 175 3HZ LYS 19 HZ3 LYS 19 -9.081 6.797 5.409 176 1HN NH2 20 HN1 LYS 19 -13.650 2.613 -0.149 177 2HN NH2 20 HN2 LYS 19 -14.943 1.649 0.471
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