NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
655112 | 7l53 | 30828 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 -1.606 -6.570 -0.222 2 HA2 GLY 1 HA2 GLY 1 -2.789 -4.638 -0.797 3 HA3 GLY 1 HA1 GLY 1 -4.225 -5.314 -0.048 4 H PHE 2 HN PHE 2 -3.640 -2.686 0.382 5 HA PHE 2 HA PHE 2 -3.196 -2.666 3.264 6 HB2 PHE 2 HB2 PHE 2 -0.958 -2.394 2.448 7 HB3 PHE 2 HB1 PHE 2 -1.470 -1.192 1.287 8 HD1 PHE 2 HD1 PHE 2 -1.562 -1.698 4.994 9 HD2 PHE 2 HD2 PHE 2 -0.878 0.943 1.743 10 HE1 PHE 2 HE1 PHE 2 -0.876 0.067 6.573 11 HE2 PHE 2 HE2 PHE 2 -0.207 2.700 3.280 12 HZ PHE 2 HZ PHE 2 -0.197 2.278 5.721 13 H CYS 3 HN CYS 3 -4.327 -1.009 4.268 14 HA CYS 3 HA CYS 3 -5.811 0.695 2.500 15 HB2 CYS 3 HB2 CYS 3 -6.351 -0.252 5.297 16 HB3 CYS 3 HB1 CYS 3 -7.227 1.077 4.535 17 H TRP 4 HN TRP 4 -5.589 2.676 2.537 18 HA TRP 4 HA TRP 4 -4.063 4.108 4.542 19 HB2 TRP 4 HB2 TRP 4 -2.271 3.167 3.300 20 HB3 TRP 4 HB1 TRP 4 -3.029 3.580 1.768 21 HD1 TRP 4 HD1 TRP 4 -1.532 5.377 4.815 22 HE1 TRP 4 HE1 TRP 4 -0.497 7.567 3.986 23 HE3 TRP 4 3HE TRP 4 -2.869 5.038 -0.046 24 HZ2 TRP 4 HZ2 TRP 4 -0.315 8.927 1.647 25 HZ3 TRP 4 HZ3 TRP 4 -2.226 6.783 -1.568 26 HH2 TRP 4 2HH TRP 4 -0.942 8.758 -0.774 27 H HIS 5 HN HIS 5 -4.248 6.392 4.347 28 HA HIS 5 HA HIS 5 -5.671 8.155 4.205 29 HB2 HIS 5 HB2 HIS 5 -4.278 7.633 1.744 30 HB3 HIS 5 HB1 HIS 5 -5.643 8.752 1.502 31 HD1 HIS 5 HD1 HIS 5 -4.070 10.821 1.151 32 HD2 HIS 5 HD2 HIS 5 -3.440 8.804 4.730 33 HE1 HIS 5 HE1 HIS 5 -2.587 12.298 2.528 34 H HIS 6 HN HIS 6 -7.327 6.089 4.536 35 HA HIS 6 HA HIS 6 -9.519 5.554 4.534 36 HB2 HIS 6 HB2 HIS 6 -9.913 8.037 2.831 37 HB3 HIS 6 HB1 HIS 6 -11.211 7.101 3.552 38 HD1 HIS 6 HD1 HIS 6 -11.445 7.308 6.226 39 HD2 HIS 6 HD2 HIS 6 -8.676 9.835 4.441 40 HE1 HIS 6 HE1 HIS 6 -10.947 9.089 7.920 41 H SER 7 HN SER 7 -7.612 5.152 2.091 42 HA SER 7 HA SER 7 -9.582 3.951 0.250 43 HB2 SER 7 HB2 SER 7 -6.830 5.003 -0.416 44 HB3 SER 7 HB1 SER 7 -8.154 4.631 -1.524 45 HG SER 7 HG SER 7 -8.050 6.737 0.371 46 H CYS 8 HN CYS 8 -8.344 2.204 -0.993 47 HA CYS 8 HA CYS 8 -6.366 0.960 0.701 48 HB2 CYS 8 HB2 CYS 8 -8.984 -0.279 -0.052 49 HB3 CYS 8 HB1 CYS 8 -7.622 -1.189 0.666 50 H VAL 9 HN VAL 9 -4.865 0.092 -0.389 51 HA VAL 9 HA VAL 9 -5.272 -0.140 -3.227 52 HB VAL 9 HB VAL 9 -2.774 -0.427 -3.352 53 HG11 VAL 9 HG11 VAL 9 -2.262 1.937 -2.879 54 HG12 VAL 9 HG12 VAL 9 -3.803 2.061 -2.014 55 HG13 VAL 9 3HG1 VAL 9 -3.789 1.762 -3.768 56 HG21 VAL 9 HG21 VAL 9 -1.382 0.316 -1.541 57 HG22 VAL 9 HG22 VAL 9 -2.302 -1.091 -0.999 58 HG23 VAL 9 HG23 VAL 9 -2.763 0.561 -0.503 59 HA PRO 10 HA PRO 10 -5.928 -4.433 -2.817 60 HB2 PRO 10 HB2 PRO 10 -5.598 -5.174 -5.412 61 HB3 PRO 10 HB1 PRO 10 -7.023 -4.307 -4.830 62 HG2 PRO 10 HG2 PRO 10 -4.621 -3.263 -6.265 63 HG3 PRO 10 HG1 PRO 10 -6.327 -2.828 -6.472 64 HD2 PRO 10 HD2 PRO 10 -4.545 -1.315 -5.072 65 HD3 PRO 10 HD1 PRO 10 -6.278 -1.339 -4.708 66 H SER 11 HN SER 11 -4.937 -6.580 -3.304 67 HA SER 11 HA SER 11 -2.267 -6.635 -2.508 68 HB2 SER 11 HB2 SER 11 -3.740 -8.898 -3.848 69 HB3 SER 11 HB1 SER 11 -2.515 -8.924 -2.560 70 HG SER 11 HG SER 11 -4.705 -9.274 -1.863 71 H GLY 12 HN GLY 12 -0.432 -6.784 -3.679 72 HA2 GLY 12 HA2 GLY 12 0.814 -7.429 -5.594 73 HA3 GLY 12 HA1 GLY 12 -0.629 -7.192 -6.572 74 H THR 13 HN THR 13 -0.830 -4.686 -4.645 75 HA THR 13 HA THR 13 0.203 -2.882 -6.607 76 HB THR 13 HB THR 13 -0.989 -2.328 -3.913 77 HG1 THR 13 HG1 THR 13 -2.613 -3.213 -4.898 78 HG21 THR 13 HG21 THR 13 0.102 -0.351 -4.814 79 HG22 THR 13 HG22 THR 13 -1.643 -0.138 -4.869 80 HG23 THR 13 HG23 THR 13 -0.759 -0.531 -6.347 81 H CYS 14 HN CYS 14 1.612 -1.257 -6.173 82 HA CYS 14 HA CYS 14 3.459 -1.302 -3.951 83 HB2 CYS 14 HB2 CYS 14 4.417 -1.538 -6.841 84 HB3 CYS 14 HB1 CYS 14 5.433 -1.240 -5.451 85 H ALA 15 HN ALA 15 3.826 0.781 -3.484 86 HA ALA 15 HA ALA 15 3.631 2.774 -5.581 87 HB1 ALA 15 HB1 ALA 15 1.954 4.105 -4.357 88 HB2 ALA 15 HB2 ALA 15 1.799 2.794 -3.182 89 HB3 ALA 15 HB3 ALA 15 1.306 2.538 -4.853 90 H ASP 16 HN ASP 16 4.233 4.918 -4.721 91 HA ASP 16 HA ASP 16 6.227 4.593 -2.616 92 HB2 ASP 16 HB2 ASP 16 7.028 5.375 -4.841 93 HB3 ASP 16 HB1 ASP 16 5.954 6.761 -4.711 94 H PHE 17 HN PHE 17 5.234 4.939 -0.801 95 HA PHE 17 HA PHE 17 3.212 7.007 -0.514 96 HB2 PHE 17 HB2 PHE 17 4.259 4.907 1.415 97 HB3 PHE 17 HB1 PHE 17 2.926 5.955 1.767 98 HD1 PHE 17 HD1 PHE 17 3.996 3.127 -0.335 99 HD2 PHE 17 HD2 PHE 17 0.706 5.545 0.883 100 HE1 PHE 17 HE1 PHE 17 2.454 1.573 -1.349 101 HE2 PHE 17 HE2 PHE 17 -0.818 3.978 -0.137 102 HZ PHE 17 HZ PHE 17 0.024 1.995 -1.263 103 HA PRO 18 HA PRO 18 5.942 9.888 1.516 104 HB2 PRO 18 HB2 PRO 18 4.183 10.076 3.874 105 HB3 PRO 18 HB1 PRO 18 4.620 11.327 2.712 106 HG2 PRO 18 HG2 PRO 18 2.171 10.261 2.782 107 HG3 PRO 18 HG1 PRO 18 2.922 10.756 1.257 108 HD2 PRO 18 HD2 PRO 18 2.615 8.020 2.422 109 HD3 PRO 18 HD1 PRO 18 2.449 8.552 0.736 110 H TRP 19 HN TRP 19 7.307 10.173 3.379 111 HA TRP 19 HA TRP 19 8.276 7.781 4.544 112 HB2 TRP 19 HB2 TRP 19 9.606 9.883 4.104 113 HB3 TRP 19 HB1 TRP 19 8.728 10.649 5.419 114 HD1 TRP 19 HD1 TRP 19 11.429 8.023 4.741 115 HE1 TRP 19 HE1 TRP 19 12.708 7.603 6.937 116 HE3 TRP 19 3HE TRP 19 8.489 10.680 7.830 117 HZ2 TRP 19 HZ2 TRP 19 12.482 8.337 9.665 118 HZ3 TRP 19 HZ3 TRP 19 9.054 10.810 10.266 119 HH2 TRP 19 2HH TRP 19 11.016 9.646 11.144 120 HA PRO 20 HA PRO 20 9.132 6.961 6.252 121 HB2 PRO 20 HB2 PRO 20 8.900 5.132 8.151 122 HB3 PRO 20 HB1 PRO 20 9.281 6.813 8.531 123 HG2 PRO 20 HG2 PRO 20 6.734 5.332 8.895 124 HG3 PRO 20 HG1 PRO 20 7.401 6.675 9.836 125 HD2 PRO 20 HD2 PRO 20 5.450 6.801 7.761 126 HD3 PRO 20 HD1 PRO 20 6.198 8.162 8.619 127 H LEU 21 HN LEU 21 6.144 6.199 5.148 128 HA LEU 21 HA LEU 21 6.277 3.371 5.025 129 HB2 LEU 21 HB2 LEU 21 4.708 5.417 3.484 130 HB3 LEU 21 HB1 LEU 21 4.576 3.698 3.172 131 HG LEU 21 HG LEU 21 3.937 4.961 5.845 132 HD11 LEU 21 HD11 LEU 21 2.118 4.098 3.602 133 HD12 LEU 21 HD12 LEU 21 2.421 5.773 4.075 134 HD13 LEU 21 HD13 LEU 21 1.599 4.670 5.187 135 HD21 LEU 21 HD21 LEU 21 3.347 2.291 4.626 136 HD22 LEU 21 HD22 LEU 21 2.813 2.831 6.220 137 HD23 LEU 21 HD23 LEU 21 4.537 2.584 5.898 138 H GLY 22 HN GLY 22 6.829 5.883 2.568 139 HA2 GLY 22 HA2 GLY 22 8.279 5.909 0.773 140 HA3 GLY 22 HA1 GLY 22 9.108 4.541 1.512 141 H HIS 23 HN HIS 23 9.329 3.556 -0.564 142 HA HIS 23 HA HIS 23 6.970 2.852 -2.031 143 HB2 HIS 23 HB2 HIS 23 9.252 3.127 -3.119 144 HB3 HIS 23 HB1 HIS 23 9.727 1.633 -2.320 145 HD1 HIS 23 HD1 HIS 23 8.310 2.870 -5.419 146 HD2 HIS 23 HD2 HIS 23 8.071 -0.554 -3.137 147 HE1 HIS 23 HE1 HIS 23 7.347 1.092 -6.939 148 H GLN 24 HN GLN 24 5.656 1.388 -1.506 149 HA GLN 24 HA GLN 24 6.534 -0.917 0.106 150 HB2 GLN 24 HB2 GLN 24 4.114 0.834 0.399 151 HB3 GLN 24 HB1 GLN 24 4.192 -0.775 1.087 152 HG2 GLN 24 HG2 GLN 24 6.194 1.366 1.729 153 HG3 GLN 24 HG1 GLN 24 4.689 1.164 2.624 154 HE21 GLN 24 1HE2 GLN 24 5.702 0.633 4.520 155 HE22 GLN 24 2HE2 GLN 24 6.510 -0.875 4.757 156 H CYS 25 HN CYS 25 5.836 -2.860 -0.608 157 HA CYS 25 HA CYS 25 3.796 -2.936 -2.697 158 HB2 CYS 25 HB2 CYS 25 6.087 -4.813 -2.085 159 HB3 CYS 25 HB1 CYS 25 4.769 -5.253 -3.160 160 H PHE 26 HN PHE 26 2.156 -4.566 -2.484 161 HA PHE 26 HA PHE 26 1.835 -5.442 0.313 162 HB2 PHE 26 HB2 PHE 26 -0.359 -4.227 -1.340 163 HB3 PHE 26 HB1 PHE 26 -0.420 -4.648 0.365 164 HD1 PHE 26 HD1 PHE 26 0.005 -2.061 -1.939 165 HD2 PHE 26 HD2 PHE 26 1.420 -3.474 1.833 166 HE1 PHE 26 HE1 PHE 26 0.807 0.125 -1.426 167 HE2 PHE 26 HE2 PHE 26 2.208 -1.209 2.358 168 HZ PHE 26 HZ PHE 26 1.886 0.601 0.672 169 HA PRO 27 HA PRO 27 0.958 -9.093 -2.364 170 HB2 PRO 27 HB2 PRO 27 1.453 -10.371 0.268 171 HB3 PRO 27 HB1 PRO 27 2.124 -10.781 -1.314 172 HG2 PRO 27 HG2 PRO 27 3.655 -9.582 0.473 173 HG3 PRO 27 HG1 PRO 27 3.704 -9.056 -1.221 174 HD2 PRO 27 HD2 PRO 27 2.260 -7.810 1.093 175 HD3 PRO 27 HD1 PRO 27 3.269 -7.036 -0.151 176 H ASP 28 HN ASP 28 -0.383 -7.892 0.550 177 HA ASP 28 HA ASP 28 -2.815 -9.527 0.215 178 HB2 ASP 28 HB2 ASP 28 -1.580 -8.535 2.797 179 HB3 ASP 28 HB1 ASP 28 -3.184 -9.237 2.676 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -1.426 -6.360 -0.025 2 HA2 GLY 1 HA2 GLY 1 -2.437 -4.380 -0.697 3 HA3 GLY 1 HA1 GLY 1 -3.926 -4.933 0.056 4 H PHE 2 HN PHE 2 -3.524 -2.403 0.457 5 HA PHE 2 HA PHE 2 -3.009 -2.247 3.298 6 HB2 PHE 2 HB2 PHE 2 -0.782 -1.808 2.390 7 HB3 PHE 2 HB1 PHE 2 -1.438 -0.575 1.329 8 HD1 PHE 2 HD1 PHE 2 -1.384 -1.398 4.972 9 HD2 PHE 2 HD2 PHE 2 -1.114 1.602 1.964 10 HE1 PHE 2 HE1 PHE 2 -0.931 0.282 6.693 11 HE2 PHE 2 HE2 PHE 2 -0.661 3.284 3.663 12 HZ PHE 2 HZ PHE 2 -0.561 2.639 6.050 13 H CYS 3 HN CYS 3 -4.455 -0.897 4.206 14 HA CYS 3 HA CYS 3 -6.045 0.612 2.334 15 HB2 CYS 3 HB2 CYS 3 -6.754 -0.425 5.078 16 HB3 CYS 3 HB1 CYS 3 -7.833 0.503 4.044 17 H TRP 4 HN TRP 4 -5.913 2.625 2.318 18 HA TRP 4 HA TRP 4 -5.157 4.266 4.575 19 HB2 TRP 4 HB2 TRP 4 -2.966 3.713 3.929 20 HB3 TRP 4 HB1 TRP 4 -3.384 3.636 2.228 21 HD1 TRP 4 HD1 TRP 4 -2.541 6.172 4.976 22 HE1 TRP 4 HE1 TRP 4 -1.824 8.364 3.822 23 HE3 TRP 4 3HE TRP 4 -3.546 4.879 0.174 24 HZ2 TRP 4 HZ2 TRP 4 -1.720 9.382 1.224 25 HZ3 TRP 4 HZ3 TRP 4 -3.116 6.457 -1.606 26 HH2 TRP 4 2HH TRP 4 -2.214 8.703 -1.123 27 H HIS 5 HN HIS 5 -5.358 6.668 3.967 28 HA HIS 5 HA HIS 5 -6.585 8.351 3.279 29 HB2 HIS 5 HB2 HIS 5 -5.001 7.656 1.313 30 HB3 HIS 5 HB1 HIS 5 -6.521 7.297 0.491 31 HD1 HIS 5 HD1 HIS 5 -7.338 9.287 -0.842 32 HD2 HIS 5 HD2 HIS 5 -5.243 10.286 2.574 33 HE1 HIS 5 HE1 HIS 5 -7.275 11.804 -0.819 34 H HIS 6 HN HIS 6 -8.068 6.129 4.172 35 HA HIS 6 HA HIS 6 -10.183 5.363 4.394 36 HB2 HIS 6 HB2 HIS 6 -10.944 7.718 2.632 37 HB3 HIS 6 HB1 HIS 6 -12.084 6.727 3.529 38 HD1 HIS 6 HD1 HIS 6 -11.187 9.926 3.812 39 HD2 HIS 6 HD2 HIS 6 -10.556 6.765 6.413 40 HE1 HIS 6 HE1 HIS 6 -10.938 10.949 6.099 41 H SER 7 HN SER 7 -8.466 4.939 1.874 42 HA SER 7 HA SER 7 -10.457 3.498 0.274 43 HB2 SER 7 HB2 SER 7 -7.883 4.814 -0.613 44 HB3 SER 7 HB1 SER 7 -9.128 4.118 -1.652 45 HG SER 7 HG SER 7 -9.640 6.227 0.142 46 H CYS 8 HN CYS 8 -8.511 2.045 -1.202 47 HA CYS 8 HA CYS 8 -6.515 1.116 0.609 48 HB2 CYS 8 HB2 CYS 8 -8.697 -0.013 1.344 49 HB3 CYS 8 HB1 CYS 8 -8.621 -0.831 -0.224 50 H VAL 9 HN VAL 9 -4.991 0.038 -0.360 51 HA VAL 9 HA VAL 9 -5.227 -0.093 -3.250 52 HB VAL 9 HB VAL 9 -2.757 -0.303 -3.379 53 HG11 VAL 9 HG11 VAL 9 -3.673 2.080 -1.798 54 HG12 VAL 9 HG12 VAL 9 -3.667 1.921 -3.568 55 HG13 VAL 9 3HG1 VAL 9 -2.141 1.957 -2.659 56 HG21 VAL 9 HG21 VAL 9 -2.210 -1.279 -1.203 57 HG22 VAL 9 HG22 VAL 9 -2.705 0.242 -0.416 58 HG23 VAL 9 HG23 VAL 9 -1.319 0.220 -1.479 59 HA PRO 10 HA PRO 10 -5.856 -4.358 -2.867 60 HB2 PRO 10 HB2 PRO 10 -5.493 -5.114 -5.457 61 HB3 PRO 10 HB1 PRO 10 -6.930 -4.269 -4.884 62 HG2 PRO 10 HG2 PRO 10 -4.550 -3.173 -6.316 63 HG3 PRO 10 HG1 PRO 10 -6.262 -2.769 -6.515 64 HD2 PRO 10 HD2 PRO 10 -4.492 -1.245 -5.102 65 HD3 PRO 10 HD1 PRO 10 -6.230 -1.283 -4.754 66 H SER 11 HN SER 11 -4.799 -6.423 -2.947 67 HA SER 11 HA SER 11 -2.137 -6.401 -2.251 68 HB2 SER 11 HB2 SER 11 -3.595 -8.804 -3.307 69 HB3 SER 11 HB1 SER 11 -2.472 -8.641 -1.934 70 HG SER 11 HG SER 11 -4.536 -8.788 -1.114 71 H GLY 12 HN GLY 12 -0.335 -6.471 -3.444 72 HA2 GLY 12 HA2 GLY 12 0.915 -7.367 -5.328 73 HA3 GLY 12 HA1 GLY 12 -0.529 -7.153 -6.311 74 H THR 13 HN THR 13 -0.873 -4.563 -4.706 75 HA THR 13 HA THR 13 0.265 -2.844 -6.647 76 HB THR 13 HB THR 13 -1.024 -2.289 -4.005 77 HG1 THR 13 HG1 THR 13 -2.542 -3.162 -5.238 78 HG21 THR 13 HG21 THR 13 -0.501 -0.343 -6.277 79 HG22 THR 13 HG22 THR 13 0.157 -0.277 -4.636 80 HG23 THR 13 HG23 THR 13 -1.556 -0.006 -4.905 81 H CYS 14 HN CYS 14 1.636 -1.210 -6.235 82 HA CYS 14 HA CYS 14 3.500 -1.258 -4.007 83 HB2 CYS 14 HB2 CYS 14 4.362 -1.293 -6.929 84 HB3 CYS 14 HB1 CYS 14 5.425 -1.038 -5.560 85 H ALA 15 HN ALA 15 3.758 0.831 -3.402 86 HA ALA 15 HA ALA 15 3.324 2.902 -5.381 87 HB1 ALA 15 HB1 ALA 15 1.613 2.711 -2.911 88 HB2 ALA 15 HB2 ALA 15 1.078 2.408 -4.564 89 HB3 ALA 15 HB3 ALA 15 1.605 4.023 -4.089 90 H ASP 16 HN ASP 16 3.823 5.001 -4.584 91 HA ASP 16 HA ASP 16 5.986 4.888 -2.636 92 HB2 ASP 16 HB2 ASP 16 6.694 5.811 -4.701 93 HB3 ASP 16 HB1 ASP 16 5.296 6.867 -4.811 94 H PHE 17 HN PHE 17 5.423 5.296 -0.707 95 HA PHE 17 HA PHE 17 3.469 7.402 -0.201 96 HB2 PHE 17 HB2 PHE 17 4.152 4.953 1.453 97 HB3 PHE 17 HB1 PHE 17 3.098 6.202 1.999 98 HD1 PHE 17 HD1 PHE 17 1.178 6.879 0.299 99 HD2 PHE 17 HD2 PHE 17 3.008 3.014 0.417 100 HE1 PHE 17 HE1 PHE 17 -0.767 5.886 -0.777 101 HE2 PHE 17 HE2 PHE 17 1.092 2.084 -0.637 102 HZ PHE 17 HZ PHE 17 -0.823 3.488 -1.255 103 HA PRO 18 HA PRO 18 6.551 9.730 1.980 104 HB2 PRO 18 HB2 PRO 18 4.833 9.817 4.388 105 HB3 PRO 18 HB1 PRO 18 5.449 11.150 3.407 106 HG2 PRO 18 HG2 PRO 18 2.880 10.454 3.305 107 HG3 PRO 18 HG1 PRO 18 3.748 10.957 1.845 108 HD2 PRO 18 HD2 PRO 18 3.033 8.200 2.769 109 HD3 PRO 18 HD1 PRO 18 2.953 8.898 1.139 110 H TRP 19 HN TRP 19 8.012 9.715 3.803 111 HA TRP 19 HA TRP 19 8.914 7.220 4.700 112 HB2 TRP 19 HB2 TRP 19 10.248 9.356 4.597 113 HB3 TRP 19 HB1 TRP 19 9.328 9.950 5.968 114 HD1 TRP 19 HD1 TRP 19 12.160 7.570 5.058 115 HE1 TRP 19 HE1 TRP 19 13.342 6.825 7.208 116 HE3 TRP 19 3HE TRP 19 8.929 9.524 8.411 117 HZ2 TRP 19 HZ2 TRP 19 12.954 7.059 10.011 118 HZ3 TRP 19 HZ3 TRP 19 9.380 9.244 10.847 119 HH2 TRP 19 2HH TRP 19 11.356 8.027 11.614 120 HA PRO 20 HA PRO 20 9.690 6.072 6.195 121 HB2 PRO 20 HB2 PRO 20 9.378 4.011 7.886 122 HB3 PRO 20 HB1 PRO 20 9.950 5.594 8.420 123 HG2 PRO 20 HG2 PRO 20 7.377 4.279 8.938 124 HG3 PRO 20 HG1 PRO 20 8.124 5.644 9.777 125 HD2 PRO 20 HD2 PRO 20 6.093 5.659 7.690 126 HD3 PRO 20 HD1 PRO 20 6.667 7.011 8.689 127 H LEU 21 HN LEU 21 6.894 5.723 4.820 128 HA LEU 21 HA LEU 21 6.756 2.882 4.495 129 HB2 LEU 21 HB2 LEU 21 5.302 5.182 3.212 130 HB3 LEU 21 HB1 LEU 21 4.944 3.490 2.903 131 HG LEU 21 HG LEU 21 4.732 4.738 5.651 132 HD11 LEU 21 HD11 LEU 21 2.319 4.773 5.264 133 HD12 LEU 21 HD12 LEU 21 2.581 4.269 3.591 134 HD13 LEU 21 HD13 LEU 21 3.161 5.845 4.143 135 HD21 LEU 21 HD21 LEU 21 3.653 2.233 4.433 136 HD22 LEU 21 HD22 LEU 21 3.364 2.792 6.082 137 HD23 LEU 21 HD23 LEU 21 4.996 2.320 5.580 138 H GLY 22 HN GLY 22 7.357 5.682 2.369 139 HA2 GLY 22 HA2 GLY 22 8.657 5.846 0.465 140 HA3 GLY 22 HA1 GLY 22 9.480 4.375 0.980 141 H HIS 23 HN HIS 23 9.471 3.465 -1.095 142 HA HIS 23 HA HIS 23 6.932 2.995 -2.391 143 HB2 HIS 23 HB2 HIS 23 9.099 3.359 -3.680 144 HB3 HIS 23 HB1 HIS 23 9.628 1.790 -3.093 145 HD1 HIS 23 HD1 HIS 23 7.800 3.392 -5.830 146 HD2 HIS 23 HD2 HIS 23 7.998 -0.321 -4.039 147 HE1 HIS 23 HE1 HIS 23 6.735 1.793 -7.465 148 H GLN 24 HN GLN 24 5.663 1.606 -1.476 149 HA GLN 24 HA GLN 24 6.789 -0.824 -0.233 150 HB2 GLN 24 HB2 GLN 24 4.224 0.639 0.309 151 HB3 GLN 24 HB1 GLN 24 4.628 -0.917 0.995 152 HG2 GLN 24 HG2 GLN 24 6.220 1.587 1.418 153 HG3 GLN 24 HG1 GLN 24 4.937 1.026 2.485 154 HE21 GLN 24 1HE2 GLN 24 6.274 0.774 4.213 155 HE22 GLN 24 2HE2 GLN 24 7.456 -0.464 4.353 156 H CYS 25 HN CYS 25 6.126 -2.752 -0.949 157 HA CYS 25 HA CYS 25 3.917 -2.870 -2.848 158 HB2 CYS 25 HB2 CYS 25 6.249 -4.745 -2.378 159 HB3 CYS 25 HB1 CYS 25 4.884 -5.130 -3.423 160 H PHE 26 HN PHE 26 2.235 -4.248 -2.417 161 HA PHE 26 HA PHE 26 2.131 -5.066 0.421 162 HB2 PHE 26 HB2 PHE 26 -0.118 -3.962 -1.232 163 HB3 PHE 26 HB1 PHE 26 -0.156 -4.327 0.485 164 HD1 PHE 26 HD1 PHE 26 1.514 -3.047 1.961 165 HD2 PHE 26 HD2 PHE 26 0.398 -1.840 -1.970 166 HE1 PHE 26 HE1 PHE 26 2.250 -0.756 2.444 167 HE2 PHE 26 HE2 PHE 26 1.126 0.396 -1.511 168 HZ PHE 26 HZ PHE 26 2.058 0.975 0.707 169 HA PRO 27 HA PRO 27 1.166 -9.016 -1.732 170 HB2 PRO 27 HB2 PRO 27 1.495 -10.020 1.031 171 HB3 PRO 27 HB1 PRO 27 2.275 -10.564 -0.458 172 HG2 PRO 27 HG2 PRO 27 3.642 -9.187 1.369 173 HG3 PRO 27 HG1 PRO 27 3.903 -8.914 -0.362 174 HD2 PRO 27 HD2 PRO 27 2.335 -7.285 1.596 175 HD3 PRO 27 HD1 PRO 27 3.439 -6.749 0.310 176 H ASP 28 HN ASP 28 -0.237 -7.580 1.085 177 HA ASP 28 HA ASP 28 -2.720 -9.136 0.665 178 HB2 ASP 28 HB2 ASP 28 -1.702 -8.006 3.293 179 HB3 ASP 28 HB1 ASP 28 -3.236 -8.824 3.064 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -1.511 -6.401 -0.291 2 HA2 GLY 1 HA2 GLY 1 -2.474 -4.354 -0.836 3 HA3 GLY 1 HA1 GLY 1 -3.959 -4.892 -0.069 4 H PHE 2 HN PHE 2 -3.555 -2.408 0.436 5 HA PHE 2 HA PHE 2 -2.965 -2.317 3.257 6 HB2 PHE 2 HB2 PHE 2 -0.731 -1.968 2.356 7 HB3 PHE 2 HB1 PHE 2 -1.327 -0.723 1.278 8 HD1 PHE 2 HD1 PHE 2 -1.217 -1.501 4.928 9 HD2 PHE 2 HD2 PHE 2 -0.967 1.460 1.879 10 HE1 PHE 2 HE1 PHE 2 -0.654 0.190 6.612 11 HE2 PHE 2 HE2 PHE 2 -0.413 3.138 3.523 12 HZ PHE 2 HZ PHE 2 -0.244 2.528 5.921 13 H CYS 3 HN CYS 3 -4.303 -0.822 4.217 14 HA CYS 3 HA CYS 3 -5.850 0.748 2.362 15 HB2 CYS 3 HB2 CYS 3 -6.614 -0.255 5.111 16 HB3 CYS 3 HB1 CYS 3 -7.638 0.692 4.042 17 H TRP 4 HN TRP 4 -5.723 2.762 2.442 18 HA TRP 4 HA TRP 4 -4.778 4.291 4.686 19 HB2 TRP 4 HB2 TRP 4 -2.648 3.588 3.978 20 HB3 TRP 4 HB1 TRP 4 -3.091 3.643 2.282 21 HD1 TRP 4 HD1 TRP 4 -2.114 5.961 5.166 22 HE1 TRP 4 HE1 TRP 4 -1.250 8.173 4.126 23 HE3 TRP 4 3HE TRP 4 -3.121 4.980 0.305 24 HZ2 TRP 4 HZ2 TRP 4 -1.054 9.297 1.616 25 HZ3 TRP 4 HZ3 TRP 4 -2.571 6.616 -1.382 26 HH2 TRP 4 2HH TRP 4 -1.547 8.780 -0.764 27 H HIS 5 HN HIS 5 -4.895 6.693 4.191 28 HA HIS 5 HA HIS 5 -5.988 8.475 3.528 29 HB2 HIS 5 HB2 HIS 5 -4.534 7.590 1.510 30 HB3 HIS 5 HB1 HIS 5 -6.117 7.508 0.721 31 HD1 HIS 5 HD1 HIS 5 -6.949 9.734 -0.232 32 HD2 HIS 5 HD2 HIS 5 -3.957 10.094 2.593 33 HE1 HIS 5 HE1 HIS 5 -6.292 12.151 -0.282 34 H HIS 6 HN HIS 6 -7.535 6.098 4.260 35 HA HIS 6 HA HIS 6 -9.657 5.434 4.541 36 HB2 HIS 6 HB2 HIS 6 -10.406 7.942 3.002 37 HB3 HIS 6 HB1 HIS 6 -11.576 6.873 3.762 38 HD1 HIS 6 HD1 HIS 6 -12.067 7.319 6.218 39 HD2 HIS 6 HD2 HIS 6 -8.710 9.334 4.836 40 HE1 HIS 6 HE1 HIS 6 -11.403 8.916 8.054 41 H SER 7 HN SER 7 -8.062 5.282 1.876 42 HA SER 7 HA SER 7 -10.104 3.832 0.357 43 HB2 SER 7 HB2 SER 7 -7.506 5.089 -0.590 44 HB3 SER 7 HB1 SER 7 -8.740 4.339 -1.605 45 HG SER 7 HG SER 7 -9.787 6.266 -0.013 46 H CYS 8 HN CYS 8 -8.293 2.252 -1.140 47 HA CYS 8 HA CYS 8 -6.296 1.235 0.630 48 HB2 CYS 8 HB2 CYS 8 -8.527 0.223 1.407 49 HB3 CYS 8 HB1 CYS 8 -8.531 -0.600 -0.158 50 H VAL 9 HN VAL 9 -4.871 0.063 -0.365 51 HA VAL 9 HA VAL 9 -5.157 -0.067 -3.259 52 HB VAL 9 HB VAL 9 -2.678 -0.353 -3.400 53 HG11 VAL 9 HG11 VAL 9 -3.577 1.876 -3.687 54 HG12 VAL 9 HG12 VAL 9 -2.027 1.900 -2.810 55 HG13 VAL 9 3HG1 VAL 9 -3.541 2.105 -1.922 56 HG21 VAL 9 HG21 VAL 9 -2.624 0.343 -0.469 57 HG22 VAL 9 HG22 VAL 9 -1.246 0.268 -1.548 58 HG23 VAL 9 HG23 VAL 9 -2.138 -1.214 -1.181 59 HA PRO 10 HA PRO 10 -5.823 -4.337 -2.852 60 HB2 PRO 10 HB2 PRO 10 -5.375 -5.113 -5.416 61 HB3 PRO 10 HB1 PRO 10 -6.832 -4.266 -4.880 62 HG2 PRO 10 HG2 PRO 10 -4.423 -3.191 -6.271 63 HG3 PRO 10 HG1 PRO 10 -6.130 -2.788 -6.516 64 HD2 PRO 10 HD2 PRO 10 -4.403 -1.238 -5.096 65 HD3 PRO 10 HD1 PRO 10 -6.146 -1.302 -4.771 66 H SER 11 HN SER 11 -4.850 -6.467 -3.219 67 HA SER 11 HA SER 11 -2.178 -6.555 -2.444 68 HB2 SER 11 HB2 SER 11 -2.587 -9.062 -2.971 69 HB3 SER 11 HB1 SER 11 -3.497 -8.298 -1.673 70 HG SER 11 HG SER 11 -5.260 -8.743 -2.734 71 H GLY 12 HN GLY 12 -0.344 -6.752 -3.574 72 HA2 GLY 12 HA2 GLY 12 0.904 -7.500 -5.469 73 HA3 GLY 12 HA1 GLY 12 -0.524 -7.248 -6.468 74 H THR 13 HN THR 13 -0.744 -4.709 -4.642 75 HA THR 13 HA THR 13 0.347 -2.939 -6.583 76 HB THR 13 HB THR 13 -0.825 -2.378 -3.888 77 HG1 THR 13 HG1 THR 13 -2.511 -3.131 -4.817 78 HG21 THR 13 HG21 THR 13 0.271 -0.398 -4.703 79 HG22 THR 13 HG22 THR 13 -1.460 -0.150 -4.883 80 HG23 THR 13 HG23 THR 13 -0.477 -0.561 -6.292 81 H CYS 14 HN CYS 14 1.764 -1.401 -6.203 82 HA CYS 14 HA CYS 14 3.577 -1.375 -3.942 83 HB2 CYS 14 HB2 CYS 14 4.448 -1.523 -6.854 84 HB3 CYS 14 HB1 CYS 14 5.515 -1.152 -5.510 85 H ALA 15 HN ALA 15 3.793 0.735 -3.413 86 HA ALA 15 HA ALA 15 3.399 2.747 -5.462 87 HB1 ALA 15 HB1 ALA 15 1.533 2.561 -3.100 88 HB2 ALA 15 HB2 ALA 15 1.109 2.243 -4.783 89 HB3 ALA 15 HB3 ALA 15 1.581 3.867 -4.280 90 H ASP 16 HN ASP 16 3.694 4.942 -4.575 91 HA ASP 16 HA ASP 16 5.863 4.831 -2.624 92 HB2 ASP 16 HB2 ASP 16 6.370 5.669 -4.881 93 HB3 ASP 16 HB1 ASP 16 5.186 6.956 -4.659 94 H PHE 17 HN PHE 17 5.072 5.168 -0.722 95 HA PHE 17 HA PHE 17 3.034 7.219 -0.248 96 HB2 PHE 17 HB2 PHE 17 4.090 4.955 1.466 97 HB3 PHE 17 HB1 PHE 17 2.814 6.018 1.980 98 HD1 PHE 17 HD1 PHE 17 0.534 5.771 1.043 99 HD2 PHE 17 HD2 PHE 17 3.708 3.202 -0.190 100 HE1 PHE 17 HE1 PHE 17 -1.068 4.246 0.034 101 HE2 PHE 17 HE2 PHE 17 2.112 1.718 -1.188 102 HZ PHE 17 HZ PHE 17 -0.298 2.215 -1.087 103 HA PRO 18 HA PRO 18 6.110 9.746 1.841 104 HB2 PRO 18 HB2 PRO 18 4.499 9.897 4.306 105 HB3 PRO 18 HB1 PRO 18 4.978 11.189 3.204 106 HG2 PRO 18 HG2 PRO 18 2.442 10.320 3.339 107 HG3 PRO 18 HG1 PRO 18 3.165 10.864 1.815 108 HD2 PRO 18 HD2 PRO 18 2.689 8.074 2.800 109 HD3 PRO 18 HD1 PRO 18 2.482 8.745 1.168 110 H TRP 19 HN TRP 19 7.618 9.783 3.639 111 HA TRP 19 HA TRP 19 8.528 7.271 4.534 112 HB2 TRP 19 HB2 TRP 19 9.865 9.422 4.303 113 HB3 TRP 19 HB1 TRP 19 9.075 9.990 5.768 114 HD1 TRP 19 HD1 TRP 19 11.764 7.604 4.537 115 HE1 TRP 19 HE1 TRP 19 13.146 6.793 6.564 116 HE3 TRP 19 3HE TRP 19 8.913 9.529 8.234 117 HZ2 TRP 19 HZ2 TRP 19 13.027 6.962 9.368 118 HZ3 TRP 19 HZ3 TRP 19 9.593 9.181 10.594 119 HH2 TRP 19 2HH TRP 19 11.613 7.917 11.138 120 HA PRO 20 HA PRO 20 9.423 6.201 6.140 121 HB2 PRO 20 HB2 PRO 20 9.203 4.224 7.878 122 HB3 PRO 20 HB1 PRO 20 9.624 5.855 8.415 123 HG2 PRO 20 HG2 PRO 20 7.050 4.389 8.671 124 HG3 PRO 20 HG1 PRO 20 7.774 5.593 9.748 125 HD2 PRO 20 HD2 PRO 20 5.779 6.028 7.766 126 HD3 PRO 20 HD1 PRO 20 6.615 7.255 8.735 127 H LEU 21 HN LEU 21 6.531 5.795 4.952 128 HA LEU 21 HA LEU 21 6.498 2.952 4.567 129 HB2 LEU 21 HB2 LEU 21 4.900 5.210 3.382 130 HB3 LEU 21 HB1 LEU 21 4.651 3.524 2.964 131 HG LEU 21 HG LEU 21 4.342 4.590 5.774 132 HD11 LEU 21 HD11 LEU 21 1.935 4.525 5.347 133 HD12 LEU 21 HD12 LEU 21 2.245 4.099 3.662 134 HD13 LEU 21 HD13 LEU 21 2.728 5.683 4.276 135 HD21 LEU 21 HD21 LEU 21 3.430 2.086 4.403 136 HD22 LEU 21 HD22 LEU 21 3.095 2.522 6.081 137 HD23 LEU 21 HD23 LEU 21 4.757 2.198 5.560 138 H GLY 22 HN GLY 22 6.897 5.796 2.454 139 HA2 GLY 22 HA2 GLY 22 8.087 6.042 0.508 140 HA3 GLY 22 HA1 GLY 22 9.076 4.687 1.046 141 H HIS 23 HN HIS 23 9.175 3.687 -0.947 142 HA HIS 23 HA HIS 23 6.686 2.985 -2.238 143 HB2 HIS 23 HB2 HIS 23 8.783 3.579 -3.555 144 HB3 HIS 23 HB1 HIS 23 9.470 2.064 -2.991 145 HD1 HIS 23 HD1 HIS 23 7.203 3.496 -5.577 146 HD2 HIS 23 HD2 HIS 23 8.262 -0.203 -4.040 147 HE1 HIS 23 HE1 HIS 23 6.334 1.809 -7.213 148 H GLN 24 HN GLN 24 5.574 1.547 -1.243 149 HA GLN 24 HA GLN 24 6.893 -0.830 -0.087 150 HB2 GLN 24 HB2 GLN 24 4.179 0.348 0.477 151 HB3 GLN 24 HB1 GLN 24 4.801 -1.121 1.189 152 HG2 GLN 24 HG2 GLN 24 6.013 1.603 1.569 153 HG3 GLN 24 HG1 GLN 24 4.841 0.874 2.657 154 HE21 GLN 24 1HE2 GLN 24 6.167 0.839 4.379 155 HE22 GLN 24 2HE2 GLN 24 7.574 -0.156 4.517 156 H CYS 25 HN CYS 25 6.090 -2.856 -0.611 157 HA CYS 25 HA CYS 25 4.042 -2.989 -2.692 158 HB2 CYS 25 HB2 CYS 25 6.441 -4.770 -2.194 159 HB3 CYS 25 HB1 CYS 25 5.117 -5.223 -3.259 160 H PHE 26 HN PHE 26 2.325 -4.376 -2.327 161 HA PHE 26 HA PHE 26 2.204 -5.435 0.446 162 HB2 PHE 26 HB2 PHE 26 -0.101 -4.262 -1.059 163 HB3 PHE 26 HB1 PHE 26 -0.020 -4.677 0.645 164 HD1 PHE 26 HD1 PHE 26 1.809 -3.403 2.007 165 HD2 PHE 26 HD2 PHE 26 0.194 -2.080 -1.727 166 HE1 PHE 26 HE1 PHE 26 2.496 -1.097 2.492 167 HE2 PHE 26 HE2 PHE 26 0.881 0.146 -1.244 168 HZ PHE 26 HZ PHE 26 2.014 0.687 0.818 169 HA PRO 27 HA PRO 27 1.070 -9.158 -1.976 170 HB2 PRO 27 HB2 PRO 27 1.234 -10.437 0.677 171 HB3 PRO 27 HB1 PRO 27 2.128 -10.820 -0.796 172 HG2 PRO 27 HG2 PRO 27 3.329 -9.665 1.305 173 HG3 PRO 27 HG1 PRO 27 3.775 -9.259 -0.361 174 HD2 PRO 27 HD2 PRO 27 2.047 -7.738 1.558 175 HD3 PRO 27 HD1 PRO 27 3.299 -7.146 0.442 176 H ASP 28 HN ASP 28 -0.345 -7.771 0.844 177 HA ASP 28 HA ASP 28 -2.899 -9.155 0.355 178 HB2 ASP 28 HB2 ASP 28 -3.332 -9.068 2.731 179 HB3 ASP 28 HB1 ASP 28 -1.793 -9.880 2.460 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -1.564 -6.563 -0.202 2 HA2 GLY 1 HA2 GLY 1 -2.778 -4.627 -0.719 3 HA3 GLY 1 HA1 GLY 1 -4.171 -5.323 0.099 4 H PHE 2 HN PHE 2 -3.614 -2.656 0.473 5 HA PHE 2 HA PHE 2 -3.088 -2.593 3.338 6 HB2 PHE 2 HB2 PHE 2 -0.867 -2.406 2.445 7 HB3 PHE 2 HB1 PHE 2 -1.376 -1.194 1.295 8 HD1 PHE 2 HD1 PHE 2 -1.155 -1.756 4.984 9 HD2 PHE 2 HD2 PHE 2 -0.915 0.982 1.742 10 HE1 PHE 2 HE1 PHE 2 -0.351 -0.000 6.517 11 HE2 PHE 2 HE2 PHE 2 -0.130 2.723 3.240 12 HZ PHE 2 HZ PHE 2 0.160 2.243 5.652 13 H CYS 3 HN CYS 3 -4.159 -0.854 4.347 14 HA CYS 3 HA CYS 3 -5.677 0.829 2.579 15 HB2 CYS 3 HB2 CYS 3 -6.165 -0.010 5.433 16 HB3 CYS 3 HB1 CYS 3 -7.067 1.270 4.635 17 H TRP 4 HN TRP 4 -5.448 2.809 2.548 18 HA TRP 4 HA TRP 4 -3.828 4.284 4.452 19 HB2 TRP 4 HB2 TRP 4 -2.060 3.333 3.243 20 HB3 TRP 4 HB1 TRP 4 -2.874 3.549 1.702 21 HD1 TRP 4 HD1 TRP 4 -1.158 5.647 4.426 22 HE1 TRP 4 HE1 TRP 4 -0.258 7.768 3.319 23 HE3 TRP 4 3HE TRP 4 -3.016 4.889 -0.224 24 HZ2 TRP 4 HZ2 TRP 4 -0.363 8.936 0.847 25 HZ3 TRP 4 HZ3 TRP 4 -2.581 6.520 -1.953 26 HH2 TRP 4 2HH TRP 4 -1.265 8.552 -1.472 27 H HIS 5 HN HIS 5 -3.943 6.595 4.132 28 HA HIS 5 HA HIS 5 -5.425 8.317 4.048 29 HB2 HIS 5 HB2 HIS 5 -4.080 7.871 1.493 30 HB3 HIS 5 HB1 HIS 5 -5.297 9.170 1.491 31 HD1 HIS 5 HD1 HIS 5 -3.299 10.916 1.141 32 HD2 HIS 5 HD2 HIS 5 -3.064 8.661 4.629 33 HE1 HIS 5 HE1 HIS 5 -1.520 11.983 2.540 34 H HIS 6 HN HIS 6 -7.189 6.599 4.446 35 HA HIS 6 HA HIS 6 -9.362 6.067 4.317 36 HB2 HIS 6 HB2 HIS 6 -9.506 8.502 2.538 37 HB3 HIS 6 HB1 HIS 6 -10.921 7.582 3.034 38 HD1 HIS 6 HD1 HIS 6 -11.660 7.803 5.532 39 HD2 HIS 6 HD2 HIS 6 -8.372 10.115 4.481 40 HE1 HIS 6 HE1 HIS 6 -11.316 9.412 7.423 41 H SER 7 HN SER 7 -7.419 5.290 2.003 42 HA SER 7 HA SER 7 -9.482 3.946 0.405 43 HB2 SER 7 HB2 SER 7 -7.974 4.253 -1.544 44 HB3 SER 7 HB1 SER 7 -8.600 5.783 -0.923 45 HG SER 7 HG SER 7 -6.406 5.502 0.374 46 H CYS 8 HN CYS 8 -8.330 2.162 -0.858 47 HA CYS 8 HA CYS 8 -6.271 0.990 0.793 48 HB2 CYS 8 HB2 CYS 8 -8.905 -0.291 0.141 49 HB3 CYS 8 HB1 CYS 8 -7.515 -1.133 0.886 50 H VAL 9 HN VAL 9 -4.829 0.005 -0.328 51 HA VAL 9 HA VAL 9 -5.310 -0.234 -3.169 52 HB VAL 9 HB VAL 9 -2.846 -0.539 -3.375 53 HG11 VAL 9 HG11 VAL 9 -3.824 1.675 -3.738 54 HG12 VAL 9 HG12 VAL 9 -2.261 1.814 -2.893 55 HG13 VAL 9 3HG1 VAL 9 -3.769 1.966 -1.986 56 HG21 VAL 9 HG21 VAL 9 -2.752 0.317 -0.485 57 HG22 VAL 9 HG22 VAL 9 -1.388 0.213 -1.582 58 HG23 VAL 9 HG23 VAL 9 -2.248 -1.263 -1.127 59 HA PRO 10 HA PRO 10 -5.897 -4.519 -2.719 60 HB2 PRO 10 HB2 PRO 10 -5.535 -5.300 -5.307 61 HB3 PRO 10 HB1 PRO 10 -6.989 -4.477 -4.732 62 HG2 PRO 10 HG2 PRO 10 -4.627 -3.363 -6.179 63 HG3 PRO 10 HG1 PRO 10 -6.346 -2.991 -6.393 64 HD2 PRO 10 HD2 PRO 10 -4.640 -1.388 -5.016 65 HD3 PRO 10 HD1 PRO 10 -6.365 -1.507 -4.629 66 H SER 11 HN SER 11 -4.866 -6.646 -3.185 67 HA SER 11 HA SER 11 -2.134 -6.590 -2.437 68 HB2 SER 11 HB2 SER 11 -3.570 -8.988 -3.583 69 HB3 SER 11 HB1 SER 11 -2.311 -8.894 -2.332 70 HG SER 11 HG SER 11 -4.312 -7.455 -1.452 71 H GLY 12 HN GLY 12 -0.337 -6.720 -3.751 72 HA2 GLY 12 HA2 GLY 12 0.736 -7.332 -5.808 73 HA3 GLY 12 HA1 GLY 12 -0.813 -7.156 -6.620 74 H THR 13 HN THR 13 -0.758 -4.654 -4.578 75 HA THR 13 HA THR 13 0.077 -2.814 -6.627 76 HB THR 13 HB THR 13 -0.880 -2.289 -3.832 77 HG1 THR 13 HG1 THR 13 -2.614 -3.120 -4.687 78 HG21 THR 13 HG21 THR 13 -0.813 -0.454 -6.243 79 HG22 THR 13 HG22 THR 13 0.180 -0.326 -4.788 80 HG23 THR 13 HG23 THR 13 -1.554 -0.059 -4.689 81 H CYS 14 HN CYS 14 1.570 -1.271 -6.289 82 HA CYS 14 HA CYS 14 3.491 -1.319 -4.131 83 HB2 CYS 14 HB2 CYS 14 4.323 -1.569 -7.056 84 HB3 CYS 14 HB1 CYS 14 5.409 -1.251 -5.720 85 H ALA 15 HN ALA 15 3.874 0.770 -3.677 86 HA ALA 15 HA ALA 15 3.587 2.780 -5.745 87 HB1 ALA 15 HB1 ALA 15 1.712 2.692 -3.396 88 HB2 ALA 15 HB2 ALA 15 1.263 2.428 -5.082 89 HB3 ALA 15 HB3 ALA 15 1.821 4.020 -4.550 90 H ASP 16 HN ASP 16 3.986 4.981 -4.829 91 HA ASP 16 HA ASP 16 6.051 4.758 -2.769 92 HB2 ASP 16 HB2 ASP 16 6.690 5.710 -4.996 93 HB3 ASP 16 HB1 ASP 16 5.544 7.015 -4.721 94 H PHE 17 HN PHE 17 5.190 5.046 -0.868 95 HA PHE 17 HA PHE 17 3.024 6.965 -0.479 96 HB2 PHE 17 HB2 PHE 17 4.080 4.749 1.285 97 HB3 PHE 17 HB1 PHE 17 2.713 5.730 1.699 98 HD1 PHE 17 HD1 PHE 17 3.899 2.997 -0.362 99 HD2 PHE 17 HD2 PHE 17 0.578 5.504 0.491 100 HE1 PHE 17 HE1 PHE 17 2.443 1.493 -1.560 101 HE2 PHE 17 HE2 PHE 17 -0.880 3.986 -0.712 102 HZ PHE 17 HZ PHE 17 0.028 1.982 -1.751 103 HA PRO 18 HA PRO 18 5.522 9.797 1.904 104 HB2 PRO 18 HB2 PRO 18 3.557 9.625 4.115 105 HB3 PRO 18 HB1 PRO 18 4.067 11.037 3.184 106 HG2 PRO 18 HG2 PRO 18 1.662 9.972 2.805 107 HG3 PRO 18 HG1 PRO 18 2.618 10.560 1.430 108 HD2 PRO 18 HD2 PRO 18 2.237 7.738 2.388 109 HD3 PRO 18 HD1 PRO 18 2.196 8.381 0.734 110 H TRP 19 HN TRP 19 6.741 10.036 3.862 111 HA TRP 19 HA TRP 19 7.925 7.731 4.928 112 HB2 TRP 19 HB2 TRP 19 8.918 10.027 4.894 113 HB3 TRP 19 HB1 TRP 19 7.766 10.511 6.126 114 HD1 TRP 19 HD1 TRP 19 10.991 8.529 5.645 115 HE1 TRP 19 HE1 TRP 19 12.037 8.096 7.958 116 HE3 TRP 19 3HE TRP 19 7.183 10.150 8.506 117 HZ2 TRP 19 HZ2 TRP 19 11.318 8.411 10.673 118 HZ3 TRP 19 HZ3 TRP 19 7.397 10.073 10.997 119 HH2 TRP 19 2HH TRP 19 9.433 9.211 12.040 120 HA PRO 20 HA PRO 20 8.709 6.698 6.449 121 HB2 PRO 20 HB2 PRO 20 8.705 4.766 8.261 122 HB3 PRO 20 HB1 PRO 20 8.831 6.459 8.750 123 HG2 PRO 20 HG2 PRO 20 6.540 4.594 8.997 124 HG3 PRO 20 HG1 PRO 20 6.949 6.007 9.983 125 HD2 PRO 20 HD2 PRO 20 5.092 5.834 7.786 126 HD3 PRO 20 HD1 PRO 20 5.473 7.251 8.784 127 H LEU 21 HN LEU 21 6.170 5.891 4.927 128 HA LEU 21 HA LEU 21 6.391 3.019 4.781 129 HB2 LEU 21 HB2 LEU 21 4.754 5.049 3.295 130 HB3 LEU 21 HB1 LEU 21 4.705 3.334 2.940 131 HG LEU 21 HG LEU 21 4.002 4.454 5.655 132 HD11 LEU 21 HD11 LEU 21 2.495 5.384 3.949 133 HD12 LEU 21 HD12 LEU 21 1.671 4.185 4.957 134 HD13 LEU 21 HD13 LEU 21 2.222 3.751 3.334 135 HD21 LEU 21 HD21 LEU 21 4.599 2.081 5.552 136 HD22 LEU 21 HD22 LEU 21 3.411 1.878 4.255 137 HD23 LEU 21 HD23 LEU 21 2.872 2.308 5.879 138 H GLY 22 HN GLY 22 6.799 5.742 2.532 139 HA2 GLY 22 HA2 GLY 22 8.256 5.969 0.754 140 HA3 GLY 22 HA1 GLY 22 9.120 4.550 1.344 141 H HIS 23 HN HIS 23 9.259 3.640 -0.775 142 HA HIS 23 HA HIS 23 6.746 3.035 -2.072 143 HB2 HIS 23 HB2 HIS 23 8.826 3.548 -3.442 144 HB3 HIS 23 HB1 HIS 23 9.503 2.028 -2.867 145 HD1 HIS 23 HD1 HIS 23 7.567 3.408 -5.648 146 HD2 HIS 23 HD2 HIS 23 7.852 -0.183 -3.629 147 HE1 HIS 23 HE1 HIS 23 6.510 1.694 -7.154 148 H GLN 24 HN GLN 24 5.579 1.400 -1.618 149 HA GLN 24 HA GLN 24 6.794 -0.916 -0.270 150 HB2 GLN 24 HB2 GLN 24 4.149 0.392 0.325 151 HB3 GLN 24 HB1 GLN 24 4.685 -1.126 1.007 152 HG2 GLN 24 HG2 GLN 24 6.058 1.516 1.422 153 HG3 GLN 24 HG1 GLN 24 4.872 0.822 2.519 154 HE21 GLN 24 1HE2 GLN 24 6.230 0.665 4.209 155 HE22 GLN 24 2HE2 GLN 24 7.563 -0.425 4.283 156 H CYS 25 HN CYS 25 5.958 -2.895 -0.836 157 HA CYS 25 HA CYS 25 3.876 -2.965 -2.890 158 HB2 CYS 25 HB2 CYS 25 6.193 -4.847 -2.374 159 HB3 CYS 25 HB1 CYS 25 4.838 -5.273 -3.413 160 H PHE 26 HN PHE 26 2.171 -4.458 -2.541 161 HA PHE 26 HA PHE 26 2.058 -5.368 0.275 162 HB2 PHE 26 HB2 PHE 26 -0.256 -4.259 -1.279 163 HB3 PHE 26 HB1 PHE 26 -0.215 -4.658 0.433 164 HD1 PHE 26 HD1 PHE 26 1.635 -3.422 1.803 165 HD2 PHE 26 HD2 PHE 26 0.072 -2.105 -1.934 166 HE1 PHE 26 HE1 PHE 26 2.398 -1.132 2.270 167 HE2 PHE 26 HE2 PHE 26 0.824 0.112 -1.477 168 HZ PHE 26 HZ PHE 26 1.972 0.650 0.571 169 HA PRO 27 HA PRO 27 1.153 -9.214 -2.020 170 HB2 PRO 27 HB2 PRO 27 1.531 -10.328 0.686 171 HB3 PRO 27 HB1 PRO 27 2.328 -10.777 -0.823 172 HG2 PRO 27 HG2 PRO 27 3.638 -9.448 1.091 173 HG3 PRO 27 HG1 PRO 27 3.923 -9.123 -0.627 174 HD2 PRO 27 HD2 PRO 27 2.329 -7.551 1.353 175 HD3 PRO 27 HD1 PRO 27 3.415 -6.988 0.066 176 H ASP 28 HN ASP 28 -0.241 -7.784 0.792 177 HA ASP 28 HA ASP 28 -2.654 -9.470 0.509 178 HB2 ASP 28 HB2 ASP 28 -1.558 -8.304 3.079 179 HB3 ASP 28 HB1 ASP 28 -3.066 -9.187 2.921 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -1.408 -6.538 -0.169 2 HA2 GLY 1 HA2 GLY 1 -2.646 -4.616 -0.633 3 HA3 GLY 1 HA1 GLY 1 -4.043 -5.365 0.118 4 H PHE 2 HN PHE 2 -3.505 -2.738 0.565 5 HA PHE 2 HA PHE 2 -3.202 -2.688 3.443 6 HB2 PHE 2 HB2 PHE 2 -0.901 -2.486 2.911 7 HB3 PHE 2 HB1 PHE 2 -1.223 -1.374 1.600 8 HD1 PHE 2 HD1 PHE 2 -1.585 -1.610 5.318 9 HD2 PHE 2 HD2 PHE 2 -0.807 0.823 1.924 10 HE1 PHE 2 HE1 PHE 2 -1.056 0.288 6.797 11 HE2 PHE 2 HE2 PHE 2 -0.288 2.701 3.350 12 HZ PHE 2 HZ PHE 2 -0.406 2.458 5.823 13 H CYS 3 HN CYS 3 -4.322 -0.932 4.365 14 HA CYS 3 HA CYS 3 -5.738 0.665 2.427 15 HB2 CYS 3 HB2 CYS 3 -6.538 -0.102 5.233 16 HB3 CYS 3 HB1 CYS 3 -7.468 0.935 4.158 17 H TRP 4 HN TRP 4 -5.361 2.670 2.350 18 HA TRP 4 HA TRP 4 -4.185 4.115 4.570 19 HB2 TRP 4 HB2 TRP 4 -2.194 3.462 3.578 20 HB3 TRP 4 HB1 TRP 4 -2.862 3.494 1.953 21 HD1 TRP 4 HD1 TRP 4 -1.220 5.758 4.566 22 HE1 TRP 4 HE1 TRP 4 -0.635 7.987 3.417 23 HE3 TRP 4 3HE TRP 4 -3.479 4.936 0.099 24 HZ2 TRP 4 HZ2 TRP 4 -1.105 9.192 1.004 25 HZ3 TRP 4 HZ3 TRP 4 -3.384 6.603 -1.615 26 HH2 TRP 4 2HH TRP 4 -2.202 8.772 -1.220 27 H HIS 5 HN HIS 5 -4.335 6.442 4.348 28 HA HIS 5 HA HIS 5 -5.902 8.067 4.271 29 HB2 HIS 5 HB2 HIS 5 -4.190 8.131 1.894 30 HB3 HIS 5 HB1 HIS 5 -5.476 9.345 2.009 31 HD1 HIS 5 HD1 HIS 5 -3.992 11.351 2.559 32 HD2 HIS 5 HD2 HIS 5 -3.353 8.115 5.070 33 HE1 HIS 5 HE1 HIS 5 -2.536 12.196 4.438 34 H HIS 6 HN HIS 6 -7.678 6.586 4.353 35 HA HIS 6 HA HIS 6 -9.868 6.269 4.019 36 HB2 HIS 6 HB2 HIS 6 -9.694 8.635 2.129 37 HB3 HIS 6 HB1 HIS 6 -11.189 7.920 2.712 38 HD1 HIS 6 HD1 HIS 6 -11.621 8.218 5.396 39 HD2 HIS 6 HD2 HIS 6 -8.570 10.500 3.733 40 HE1 HIS 6 HE1 HIS 6 -11.108 10.022 7.070 41 H SER 7 HN SER 7 -7.702 5.432 1.890 42 HA SER 7 HA SER 7 -9.645 4.214 0.075 43 HB2 SER 7 HB2 SER 7 -6.840 5.174 -0.547 44 HB3 SER 7 HB1 SER 7 -7.986 4.471 -1.689 45 HG SER 7 HG SER 7 -7.980 6.974 -0.451 46 H CYS 8 HN CYS 8 -8.136 2.342 -1.082 47 HA CYS 8 HA CYS 8 -6.249 1.260 0.755 48 HB2 CYS 8 HB2 CYS 8 -8.559 0.463 1.538 49 HB3 CYS 8 HB1 CYS 8 -8.642 -0.398 -0.004 50 H VAL 9 HN VAL 9 -4.961 -0.242 -0.204 51 HA VAL 9 HA VAL 9 -5.265 -0.351 -3.089 52 HB VAL 9 HB VAL 9 -2.777 -0.601 -3.243 53 HG11 VAL 9 HG11 VAL 9 -3.792 1.585 -3.741 54 HG12 VAL 9 HG12 VAL 9 -2.240 1.787 -2.896 55 HG13 VAL 9 3HG1 VAL 9 -3.737 1.991 -2.012 56 HG21 VAL 9 HG21 VAL 9 -2.769 0.431 -0.422 57 HG22 VAL 9 HG22 VAL 9 -1.369 0.262 -1.473 58 HG23 VAL 9 HG23 VAL 9 -2.235 -1.186 -0.932 59 HA PRO 10 HA PRO 10 -5.793 -4.659 -2.510 60 HB2 PRO 10 HB2 PRO 10 -5.591 -5.417 -5.121 61 HB3 PRO 10 HB1 PRO 10 -7.015 -4.620 -4.447 62 HG2 PRO 10 HG2 PRO 10 -4.790 -3.494 -6.067 63 HG3 PRO 10 HG1 PRO 10 -6.520 -3.119 -6.125 64 HD2 PRO 10 HD2 PRO 10 -4.654 -1.554 -4.892 65 HD3 PRO 10 HD1 PRO 10 -6.352 -1.586 -4.403 66 H SER 11 HN SER 11 -4.776 -6.792 -3.048 67 HA SER 11 HA SER 11 -2.064 -6.796 -2.386 68 HB2 SER 11 HB2 SER 11 -3.440 -9.125 -3.721 69 HB3 SER 11 HB1 SER 11 -2.238 -9.072 -2.414 70 HG SER 11 HG SER 11 -4.543 -9.524 -1.915 71 H GLY 12 HN GLY 12 -0.297 -6.711 -3.633 72 HA2 GLY 12 HA2 GLY 12 0.940 -7.304 -5.600 73 HA3 GLY 12 HA1 GLY 12 -0.547 -7.153 -6.532 74 H THR 13 HN THR 13 -0.831 -4.670 -4.591 75 HA THR 13 HA THR 13 0.058 -2.807 -6.562 76 HB THR 13 HB THR 13 -0.992 -2.275 -3.799 77 HG1 THR 13 HG1 THR 13 -2.619 -3.297 -4.751 78 HG21 THR 13 HG21 THR 13 -0.956 -0.503 -6.255 79 HG22 THR 13 HG22 THR 13 -0.005 -0.288 -4.777 80 HG23 THR 13 HG23 THR 13 -1.749 -0.103 -4.732 81 H CYS 14 HN CYS 14 1.474 -1.209 -6.217 82 HA CYS 14 HA CYS 14 3.353 -1.239 -4.014 83 HB2 CYS 14 HB2 CYS 14 4.243 -1.202 -6.935 84 HB3 CYS 14 HB1 CYS 14 5.268 -1.002 -5.539 85 H ALA 15 HN ALA 15 3.591 0.839 -3.438 86 HA ALA 15 HA ALA 15 3.113 2.859 -5.439 87 HB1 ALA 15 HB1 ALA 15 0.877 2.341 -4.609 88 HB2 ALA 15 HB2 ALA 15 1.372 3.981 -4.190 89 HB3 ALA 15 HB3 ALA 15 1.407 2.710 -2.968 90 H ASP 16 HN ASP 16 3.751 4.876 -4.843 91 HA ASP 16 HA ASP 16 5.861 4.880 -2.856 92 HB2 ASP 16 HB2 ASP 16 6.381 5.714 -5.091 93 HB3 ASP 16 HB1 ASP 16 5.073 6.877 -4.975 94 H PHE 17 HN PHE 17 5.214 5.261 -0.926 95 HA PHE 17 HA PHE 17 3.294 7.408 -0.513 96 HB2 PHE 17 HB2 PHE 17 3.959 5.013 1.209 97 HB3 PHE 17 HB1 PHE 17 2.860 6.229 1.706 98 HD1 PHE 17 HD1 PHE 17 2.842 3.054 0.439 99 HD2 PHE 17 HD2 PHE 17 1.111 6.857 -0.339 100 HE1 PHE 17 HE1 PHE 17 0.944 1.986 -0.670 101 HE2 PHE 17 HE2 PHE 17 -0.769 5.772 -1.450 102 HZ PHE 17 HZ PHE 17 -0.859 3.333 -1.612 103 HA PRO 18 HA PRO 18 6.459 9.633 1.636 104 HB2 PRO 18 HB2 PRO 18 4.704 10.151 3.932 105 HB3 PRO 18 HB1 PRO 18 5.360 11.290 2.755 106 HG2 PRO 18 HG2 PRO 18 2.746 10.632 2.825 107 HG3 PRO 18 HG1 PRO 18 3.587 11.035 1.319 108 HD2 PRO 18 HD2 PRO 18 2.838 8.332 2.394 109 HD3 PRO 18 HD1 PRO 18 2.796 8.948 0.730 110 H TRP 19 HN TRP 19 7.778 9.599 3.523 111 HA TRP 19 HA TRP 19 8.199 7.090 4.735 112 HB2 TRP 19 HB2 TRP 19 9.851 9.046 4.457 113 HB3 TRP 19 HB1 TRP 19 9.050 9.787 5.837 114 HD1 TRP 19 HD1 TRP 19 11.395 6.931 4.906 115 HE1 TRP 19 HE1 TRP 19 12.477 6.015 7.047 116 HE3 TRP 19 3HE TRP 19 8.682 9.526 8.298 117 HZ2 TRP 19 HZ2 TRP 19 12.212 6.368 9.830 118 HZ3 TRP 19 HZ3 TRP 19 9.147 9.201 10.712 119 HH2 TRP 19 2HH TRP 19 10.875 7.651 11.446 120 HA PRO 20 HA PRO 20 8.806 6.185 6.715 121 HB2 PRO 20 HB2 PRO 20 7.958 4.332 8.408 122 HB3 PRO 20 HB1 PRO 20 8.501 5.919 8.968 123 HG2 PRO 20 HG2 PRO 20 5.728 4.861 8.686 124 HG3 PRO 20 HG1 PRO 20 6.396 5.947 9.912 125 HD2 PRO 20 HD2 PRO 20 4.917 6.703 7.645 126 HD3 PRO 20 HD1 PRO 20 5.864 7.780 8.686 127 H LEU 21 HN LEU 21 6.031 5.884 4.983 128 HA LEU 21 HA LEU 21 6.018 3.031 4.765 129 HB2 LEU 21 HB2 LEU 21 4.635 5.230 3.263 130 HB3 LEU 21 HB1 LEU 21 4.492 3.545 2.802 131 HG LEU 21 HG LEU 21 3.674 4.596 5.519 132 HD11 LEU 21 HD11 LEU 21 2.301 5.599 3.740 133 HD12 LEU 21 HD12 LEU 21 1.388 4.390 4.662 134 HD13 LEU 21 HD13 LEU 21 2.042 3.985 3.073 135 HD21 LEU 21 HD21 LEU 21 2.481 2.485 5.625 136 HD22 LEU 21 HD22 LEU 21 4.219 2.212 5.391 137 HD23 LEU 21 HD23 LEU 21 3.096 2.084 4.023 138 H GLY 22 HN GLY 22 6.860 5.696 2.579 139 HA2 GLY 22 HA2 GLY 22 8.504 5.768 0.961 140 HA3 GLY 22 HA1 GLY 22 9.085 4.205 1.532 141 H HIS 23 HN HIS 23 9.234 3.363 -0.613 142 HA HIS 23 HA HIS 23 6.679 3.088 -1.975 143 HB2 HIS 23 HB2 HIS 23 8.810 3.579 -3.329 144 HB3 HIS 23 HB1 HIS 23 9.340 1.955 -2.900 145 HD1 HIS 23 HD1 HIS 23 7.257 3.794 -5.312 146 HD2 HIS 23 HD2 HIS 23 7.730 -0.070 -3.955 147 HE1 HIS 23 HE1 HIS 23 5.987 2.329 -6.946 148 H GLN 24 HN GLN 24 5.464 1.528 -1.406 149 HA GLN 24 HA GLN 24 6.642 -0.865 -0.145 150 HB2 GLN 24 HB2 GLN 24 4.026 0.528 0.316 151 HB3 GLN 24 HB1 GLN 24 4.430 -1.041 0.981 152 HG2 GLN 24 HG2 GLN 24 6.073 1.399 1.514 153 HG3 GLN 24 HG1 GLN 24 4.660 0.981 2.477 154 HE21 GLN 24 1HE2 GLN 24 5.823 0.689 4.291 155 HE22 GLN 24 2HE2 GLN 24 6.907 -0.637 4.539 156 H CYS 25 HN CYS 25 6.105 -2.779 -1.014 157 HA CYS 25 HA CYS 25 3.879 -2.883 -2.905 158 HB2 CYS 25 HB2 CYS 25 6.235 -4.733 -2.508 159 HB3 CYS 25 HB1 CYS 25 4.854 -5.144 -3.518 160 H PHE 26 HN PHE 26 2.199 -4.223 -2.513 161 HA PHE 26 HA PHE 26 2.071 -5.173 0.276 162 HB2 PHE 26 HB2 PHE 26 -0.177 -4.100 -1.408 163 HB3 PHE 26 HB1 PHE 26 -0.235 -4.480 0.306 164 HD1 PHE 26 HD1 PHE 26 1.377 -3.182 1.822 165 HD2 PHE 26 HD2 PHE 26 0.324 -1.956 -2.115 166 HE1 PHE 26 HE1 PHE 26 2.069 -0.890 2.341 167 HE2 PHE 26 HE2 PHE 26 1.008 0.299 -1.613 168 HZ PHE 26 HZ PHE 26 1.887 0.857 0.637 169 HA PRO 27 HA PRO 27 1.419 -9.037 -2.134 170 HB2 PRO 27 HB2 PRO 27 1.807 -10.188 0.570 171 HB3 PRO 27 HB1 PRO 27 2.629 -10.581 -0.941 172 HG2 PRO 27 HG2 PRO 27 3.892 -9.224 0.959 173 HG3 PRO 27 HG1 PRO 27 4.120 -8.812 -0.749 174 HD2 PRO 27 HD2 PRO 27 2.419 -7.464 1.313 175 HD3 PRO 27 HD1 PRO 27 3.489 -6.745 0.087 176 H ASP 28 HN ASP 28 -0.167 -7.835 0.682 177 HA ASP 28 HA ASP 28 -2.522 -9.472 0.061 178 HB2 ASP 28 HB2 ASP 28 -3.055 -9.732 2.440 179 HB3 ASP 28 HB1 ASP 28 -1.466 -10.400 2.100 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -1.636 -6.593 -0.329 2 HA2 GLY 1 HA2 GLY 1 -2.887 -4.693 -0.788 3 HA3 GLY 1 HA1 GLY 1 -4.244 -5.429 0.052 4 H PHE 2 HN PHE 2 -3.559 -2.723 0.331 5 HA PHE 2 HA PHE 2 -3.248 -2.675 3.211 6 HB2 PHE 2 HB2 PHE 2 -0.955 -2.528 2.531 7 HB3 PHE 2 HB1 PHE 2 -1.332 -1.311 1.331 8 HD1 PHE 2 HD1 PHE 2 -0.959 0.861 1.820 9 HD2 PHE 2 HD2 PHE 2 -1.464 -1.885 5.009 10 HE1 PHE 2 HE1 PHE 2 -0.367 2.612 3.372 11 HE2 PHE 2 HE2 PHE 2 -0.878 -0.130 6.621 12 HZ PHE 2 HZ PHE 2 -0.314 2.141 5.817 13 H CYS 3 HN CYS 3 -4.458 -1.040 4.095 14 HA CYS 3 HA CYS 3 -5.735 0.657 2.164 15 HB2 CYS 3 HB2 CYS 3 -6.727 -0.228 4.883 16 HB3 CYS 3 HB1 CYS 3 -7.580 0.847 3.784 17 H TRP 4 HN TRP 4 -5.531 2.707 2.333 18 HA TRP 4 HA TRP 4 -4.390 4.017 4.636 19 HB2 TRP 4 HB2 TRP 4 -2.355 3.277 3.745 20 HB3 TRP 4 HB1 TRP 4 -2.887 3.493 2.087 21 HD1 TRP 4 HD1 TRP 4 -1.524 5.493 5.074 22 HE1 TRP 4 HE1 TRP 4 -0.634 7.738 4.155 23 HE3 TRP 4 3HE TRP 4 -3.029 5.020 0.245 24 HZ2 TRP 4 HZ2 TRP 4 -0.601 9.083 1.744 25 HZ3 TRP 4 HZ3 TRP 4 -2.539 6.767 -1.340 26 HH2 TRP 4 2HH TRP 4 -1.326 8.824 -0.635 27 H HIS 5 HN HIS 5 -4.421 6.443 4.408 28 HA HIS 5 HA HIS 5 -5.511 8.337 4.053 29 HB2 HIS 5 HB2 HIS 5 -3.988 7.855 1.958 30 HB3 HIS 5 HB1 HIS 5 -5.540 7.802 1.122 31 HD1 HIS 5 HD1 HIS 5 -6.175 10.051 0.204 32 HD2 HIS 5 HD2 HIS 5 -3.930 10.214 3.670 33 HE1 HIS 5 HE1 HIS 5 -5.836 12.503 0.662 34 H HIS 6 HN HIS 6 -7.257 6.027 4.373 35 HA HIS 6 HA HIS 6 -9.390 5.434 4.387 36 HB2 HIS 6 HB2 HIS 6 -9.884 8.241 3.372 37 HB3 HIS 6 HB1 HIS 6 -11.201 7.108 3.657 38 HD1 HIS 6 HD1 HIS 6 -11.703 6.489 6.159 39 HD2 HIS 6 HD2 HIS 6 -8.721 9.333 5.641 40 HE1 HIS 6 HE1 HIS 6 -11.305 7.507 8.434 41 H SER 7 HN SER 7 -7.641 5.395 1.913 42 HA SER 7 HA SER 7 -9.665 4.281 0.109 43 HB2 SER 7 HB2 SER 7 -6.860 5.293 -0.481 44 HB3 SER 7 HB1 SER 7 -8.027 4.707 -1.669 45 HG SER 7 HG SER 7 -9.389 6.401 -1.023 46 H CYS 8 HN CYS 8 -8.086 2.495 -1.288 47 HA CYS 8 HA CYS 8 -6.257 1.281 0.531 48 HB2 CYS 8 HB2 CYS 8 -8.580 0.458 1.162 49 HB3 CYS 8 HB1 CYS 8 -8.604 -0.320 -0.427 50 H VAL 9 HN VAL 9 -4.925 -0.152 -0.418 51 HA VAL 9 HA VAL 9 -5.105 -0.228 -3.314 52 HB VAL 9 HB VAL 9 -2.582 -0.455 -3.355 53 HG11 VAL 9 HG11 VAL 9 -2.114 1.921 -2.996 54 HG12 VAL 9 HG12 VAL 9 -3.620 2.089 -2.111 55 HG13 VAL 9 3HG1 VAL 9 -3.651 1.710 -3.847 56 HG21 VAL 9 HG21 VAL 9 -2.754 0.503 -0.504 57 HG22 VAL 9 HG22 VAL 9 -1.297 0.359 -1.483 58 HG23 VAL 9 HG23 VAL 9 -2.189 -1.096 -1.030 59 HA PRO 10 HA PRO 10 -5.670 -4.508 -2.756 60 HB2 PRO 10 HB2 PRO 10 -5.390 -5.313 -5.329 61 HB3 PRO 10 HB1 PRO 10 -6.816 -4.471 -4.717 62 HG2 PRO 10 HG2 PRO 10 -4.527 -3.424 -6.296 63 HG3 PRO 10 HG1 PRO 10 -6.244 -3.000 -6.381 64 HD2 PRO 10 HD2 PRO 10 -4.336 -1.481 -5.113 65 HD3 PRO 10 HD1 PRO 10 -6.060 -1.448 -4.714 66 H SER 11 HN SER 11 -4.774 -6.624 -3.292 67 HA SER 11 HA SER 11 -2.049 -6.727 -2.502 68 HB2 SER 11 HB2 SER 11 -3.688 -9.043 -3.546 69 HB3 SER 11 HB1 SER 11 -2.391 -9.011 -2.326 70 HG SER 11 HG SER 11 -4.260 -7.360 -1.535 71 H GLY 12 HN GLY 12 -0.340 -6.742 -3.802 72 HA2 GLY 12 HA2 GLY 12 0.812 -7.558 -5.765 73 HA3 GLY 12 HA1 GLY 12 -0.710 -7.429 -6.645 74 H THR 13 HN THR 13 -0.749 -4.843 -4.776 75 HA THR 13 HA THR 13 0.267 -3.119 -6.854 76 HB THR 13 HB THR 13 -1.252 -2.600 -4.307 77 HG1 THR 13 HG1 THR 13 -2.081 -3.609 -6.515 78 HG21 THR 13 HG21 THR 13 -0.668 -0.643 -6.548 79 HG22 THR 13 HG22 THR 13 -0.070 -0.564 -4.879 80 HG23 THR 13 HG23 THR 13 -1.786 -0.363 -5.209 81 H CYS 14 HN CYS 14 1.556 -1.327 -6.200 82 HA CYS 14 HA CYS 14 3.239 -1.440 -3.865 83 HB2 CYS 14 HB2 CYS 14 4.383 -1.528 -6.685 84 HB3 CYS 14 HB1 CYS 14 5.322 -1.179 -5.247 85 H ALA 15 HN ALA 15 3.567 0.635 -3.254 86 HA ALA 15 HA ALA 15 3.093 2.703 -5.235 87 HB1 ALA 15 HB1 ALA 15 1.418 2.439 -2.747 88 HB2 ALA 15 HB2 ALA 15 0.873 2.137 -4.397 89 HB3 ALA 15 HB3 ALA 15 1.346 3.763 -3.907 90 H ASP 16 HN ASP 16 3.882 4.663 -4.677 91 HA ASP 16 HA ASP 16 5.824 4.670 -2.512 92 HB2 ASP 16 HB2 ASP 16 6.621 5.450 -4.668 93 HB3 ASP 16 HB1 ASP 16 5.313 6.625 -4.768 94 H PHE 17 HN PHE 17 5.260 5.226 -0.673 95 HA PHE 17 HA PHE 17 3.160 7.225 -0.311 96 HB2 PHE 17 HB2 PHE 17 4.007 4.916 1.438 97 HB3 PHE 17 HB1 PHE 17 2.883 6.088 1.976 98 HD1 PHE 17 HD1 PHE 17 1.608 6.333 -0.947 99 HD2 PHE 17 HD2 PHE 17 2.309 3.136 1.760 100 HE1 PHE 17 HE1 PHE 17 -0.302 5.122 -1.888 101 HE2 PHE 17 HE2 PHE 17 0.415 1.931 0.820 102 HZ PHE 17 HZ PHE 17 -0.900 2.910 -1.006 103 HA PRO 18 HA PRO 18 5.797 9.974 1.917 104 HB2 PRO 18 HB2 PRO 18 3.956 9.706 4.238 105 HB3 PRO 18 HB1 PRO 18 4.498 11.165 3.400 106 HG2 PRO 18 HG2 PRO 18 2.047 10.263 3.010 107 HG3 PRO 18 HG1 PRO 18 3.008 10.860 1.642 108 HD2 PRO 18 HD2 PRO 18 2.430 8.033 2.442 109 HD3 PRO 18 HD1 PRO 18 2.464 8.746 0.833 110 H TRP 19 HN TRP 19 7.130 10.186 3.779 111 HA TRP 19 HA TRP 19 8.457 7.850 4.597 112 HB2 TRP 19 HB2 TRP 19 9.261 10.312 4.427 113 HB3 TRP 19 HB1 TRP 19 8.515 10.523 5.999 114 HD1 TRP 19 HD1 TRP 19 11.474 8.900 4.276 115 HE1 TRP 19 HE1 TRP 19 13.211 8.245 6.017 116 HE3 TRP 19 3HE TRP 19 8.733 9.831 8.430 117 HZ2 TRP 19 HZ2 TRP 19 13.398 8.123 8.866 118 HZ3 TRP 19 HZ3 TRP 19 9.747 9.427 10.660 119 HH2 TRP 19 2HH TRP 19 12.033 8.587 10.860 120 HA PRO 20 HA PRO 20 9.356 6.782 6.060 121 HB2 PRO 20 HB2 PRO 20 9.478 4.834 7.818 122 HB3 PRO 20 HB1 PRO 20 9.678 6.512 8.336 123 HG2 PRO 20 HG2 PRO 20 7.347 4.695 8.688 124 HG3 PRO 20 HG1 PRO 20 7.929 5.994 9.741 125 HD2 PRO 20 HD2 PRO 20 5.833 6.131 7.800 126 HD3 PRO 20 HD1 PRO 20 6.493 7.462 8.768 127 H LEU 21 HN LEU 21 6.450 5.985 4.957 128 HA LEU 21 HA LEU 21 6.574 3.151 4.789 129 HB2 LEU 21 HB2 LEU 21 4.938 5.258 3.401 130 HB3 LEU 21 HB1 LEU 21 4.766 3.550 3.054 131 HG LEU 21 HG LEU 21 4.337 4.700 5.820 132 HD11 LEU 21 HD11 LEU 21 2.310 4.071 3.674 133 HD12 LEU 21 HD12 LEU 21 2.732 5.694 4.228 134 HD13 LEU 21 HD13 LEU 21 1.949 4.558 5.328 135 HD21 LEU 21 HD21 LEU 21 4.819 2.312 5.704 136 HD22 LEU 21 HD22 LEU 21 3.558 2.153 4.472 137 HD23 LEU 21 HD23 LEU 21 3.117 2.599 6.118 138 H GLY 22 HN GLY 22 6.980 5.784 2.439 139 HA2 GLY 22 HA2 GLY 22 8.373 5.905 0.598 140 HA3 GLY 22 HA1 GLY 22 9.190 4.464 1.204 141 H HIS 23 HN HIS 23 9.265 3.462 -0.822 142 HA HIS 23 HA HIS 23 6.735 2.965 -2.150 143 HB2 HIS 23 HB2 HIS 23 8.846 3.402 -3.493 144 HB3 HIS 23 HB1 HIS 23 9.461 1.864 -2.908 145 HD1 HIS 23 HD1 HIS 23 7.359 3.362 -5.551 146 HD2 HIS 23 HD2 HIS 23 8.031 -0.346 -3.857 147 HE1 HIS 23 HE1 HIS 23 6.365 1.702 -7.147 148 H GLN 24 HN GLN 24 5.532 1.681 -1.066 149 HA GLN 24 HA GLN 24 6.593 -0.752 0.193 150 HB2 GLN 24 HB2 GLN 24 3.983 0.727 0.442 151 HB3 GLN 24 HB1 GLN 24 4.305 -0.813 1.215 152 HG2 GLN 24 HG2 GLN 24 6.007 1.610 1.704 153 HG3 GLN 24 HG1 GLN 24 4.548 1.257 2.633 154 HE21 GLN 24 1HE2 GLN 24 4.558 -0.436 3.990 155 HE22 GLN 24 2HE2 GLN 24 6.011 -1.222 4.500 156 H CYS 25 HN CYS 25 5.736 -2.757 -0.331 157 HA CYS 25 HA CYS 25 3.876 -2.829 -2.579 158 HB2 CYS 25 HB2 CYS 25 6.107 -4.748 -1.909 159 HB3 CYS 25 HB1 CYS 25 4.788 -5.181 -2.991 160 H PHE 26 HN PHE 26 2.204 -4.300 -2.506 161 HA PHE 26 HA PHE 26 1.561 -4.948 0.291 162 HB2 PHE 26 HB2 PHE 26 -0.447 -4.072 -1.770 163 HB3 PHE 26 HB1 PHE 26 -0.607 -4.077 -0.013 164 HD1 PHE 26 HD1 PHE 26 0.184 -2.127 -2.854 165 HD2 PHE 26 HD2 PHE 26 1.016 -2.568 1.273 166 HE1 PHE 26 HE1 PHE 26 1.059 0.146 -2.806 167 HE2 PHE 26 HE2 PHE 26 1.879 -0.263 1.337 168 HZ PHE 26 HZ PHE 26 1.905 1.085 -0.712 169 HA PRO 27 HA PRO 27 1.134 -8.803 -2.119 170 HB2 PRO 27 HB2 PRO 27 1.894 -10.492 -0.130 171 HB3 PRO 27 HB1 PRO 27 3.057 -9.614 -1.127 172 HG2 PRO 27 HG2 PRO 27 2.154 -9.074 1.653 173 HG3 PRO 27 HG1 PRO 27 3.747 -8.827 0.926 174 HD2 PRO 27 HD2 PRO 27 1.839 -6.865 1.388 175 HD3 PRO 27 HD1 PRO 27 3.195 -6.684 0.272 176 H ASP 28 HN ASP 28 -0.287 -7.655 0.672 177 HA ASP 28 HA ASP 28 -2.547 -9.514 0.454 178 HB2 ASP 28 HB2 ASP 28 -2.798 -9.469 2.862 179 HB3 ASP 28 HB1 ASP 28 -1.162 -9.984 2.475 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -1.377 -6.435 -0.037 2 HA2 GLY 1 HA2 GLY 1 -2.507 -4.500 -0.691 3 HA3 GLY 1 HA1 GLY 1 -3.946 -5.107 0.114 4 H PHE 2 HN PHE 2 -3.459 -2.498 0.449 5 HA PHE 2 HA PHE 2 -2.859 -2.320 3.284 6 HB2 PHE 2 HB2 PHE 2 -0.670 -2.018 2.304 7 HB3 PHE 2 HB1 PHE 2 -1.296 -0.820 1.189 8 HD1 PHE 2 HD1 PHE 2 -1.046 -1.438 4.851 9 HD2 PHE 2 HD2 PHE 2 -0.922 1.357 1.665 10 HE1 PHE 2 HE1 PHE 2 -0.411 0.331 6.439 11 HE2 PHE 2 HE2 PHE 2 -0.299 3.129 3.204 12 HZ PHE 2 HZ PHE 2 -0.032 2.632 5.625 13 H CYS 3 HN CYS 3 -4.141 -0.782 4.227 14 HA CYS 3 HA CYS 3 -5.768 0.717 2.378 15 HB2 CYS 3 HB2 CYS 3 -6.379 -0.145 5.208 16 HB3 CYS 3 HB1 CYS 3 -7.442 0.832 4.201 17 H TRP 4 HN TRP 4 -5.493 2.712 2.232 18 HA TRP 4 HA TRP 4 -4.464 4.379 4.376 19 HB2 TRP 4 HB2 TRP 4 -2.410 3.588 3.493 20 HB3 TRP 4 HB1 TRP 4 -2.982 3.702 1.839 21 HD1 TRP 4 HD1 TRP 4 -1.904 6.008 4.737 22 HE1 TRP 4 HE1 TRP 4 -0.992 8.173 3.715 23 HE3 TRP 4 3HE TRP 4 -2.890 5.027 -0.148 24 HZ2 TRP 4 HZ2 TRP 4 -0.731 9.306 1.177 25 HZ3 TRP 4 HZ3 TRP 4 -2.284 6.651 -1.833 26 HH2 TRP 4 2HH TRP 4 -1.209 8.795 -1.209 27 H HIS 5 HN HIS 5 -4.580 6.733 3.779 28 HA HIS 5 HA HIS 5 -5.635 8.531 3.079 29 HB2 HIS 5 HB2 HIS 5 -4.336 7.480 1.036 30 HB3 HIS 5 HB1 HIS 5 -5.962 7.412 0.348 31 HD1 HIS 5 HD1 HIS 5 -6.680 9.560 -0.807 32 HD2 HIS 5 HD2 HIS 5 -3.719 10.074 2.028 33 HE1 HIS 5 HE1 HIS 5 -5.985 11.972 -1.006 34 H HIS 6 HN HIS 6 -7.317 6.375 4.111 35 HA HIS 6 HA HIS 6 -9.464 5.803 4.395 36 HB2 HIS 6 HB2 HIS 6 -9.959 8.425 2.961 37 HB3 HIS 6 HB1 HIS 6 -11.252 7.461 3.664 38 HD1 HIS 6 HD1 HIS 6 -11.443 7.470 6.266 39 HD2 HIS 6 HD2 HIS 6 -8.311 9.751 4.775 40 HE1 HIS 6 HE1 HIS 6 -10.626 8.870 8.194 41 H SER 7 HN SER 7 -7.976 5.115 1.935 42 HA SER 7 HA SER 7 -10.188 3.858 0.525 43 HB2 SER 7 HB2 SER 7 -7.679 5.059 -0.702 44 HB3 SER 7 HB1 SER 7 -9.014 4.292 -1.569 45 HG SER 7 HG SER 7 -9.946 6.181 0.039 46 H CYS 8 HN CYS 8 -8.545 2.146 -1.032 47 HA CYS 8 HA CYS 8 -6.431 1.271 0.702 48 HB2 CYS 8 HB2 CYS 8 -8.611 0.229 1.557 49 HB3 CYS 8 HB1 CYS 8 -8.632 -0.653 0.026 50 H VAL 9 HN VAL 9 -5.009 -0.041 -0.275 51 HA VAL 9 HA VAL 9 -5.399 -0.283 -3.141 52 HB VAL 9 HB VAL 9 -2.915 -0.438 -3.401 53 HG11 VAL 9 HG11 VAL 9 -2.366 1.879 -2.977 54 HG12 VAL 9 HG12 VAL 9 -3.820 2.052 -1.993 55 HG13 VAL 9 3HG1 VAL 9 -3.960 1.726 -3.739 56 HG21 VAL 9 HG21 VAL 9 -2.767 0.377 -0.499 57 HG22 VAL 9 HG22 VAL 9 -1.435 0.348 -1.633 58 HG23 VAL 9 HG23 VAL 9 -2.220 -1.169 -1.178 59 HA PRO 10 HA PRO 10 -5.791 -4.574 -2.453 60 HB2 PRO 10 HB2 PRO 10 -5.602 -5.429 -5.018 61 HB3 PRO 10 HB1 PRO 10 -7.019 -4.571 -4.398 62 HG2 PRO 10 HG2 PRO 10 -4.727 -3.544 -6.015 63 HG3 PRO 10 HG1 PRO 10 -6.456 -3.189 -6.174 64 HD2 PRO 10 HD2 PRO 10 -4.695 -1.518 -4.946 65 HD3 PRO 10 HD1 PRO 10 -6.410 -1.615 -4.505 66 H SER 11 HN SER 11 -4.705 -6.655 -2.863 67 HA SER 11 HA SER 11 -1.945 -6.550 -2.411 68 HB2 SER 11 HB2 SER 11 -3.068 -8.402 -1.535 69 HB3 SER 11 HB1 SER 11 -3.837 -8.830 -3.080 70 HG SER 11 HG SER 11 -1.595 -9.730 -2.007 71 H GLY 12 HN GLY 12 -0.222 -6.851 -3.713 72 HA2 GLY 12 HA2 GLY 12 0.820 -7.420 -5.781 73 HA3 GLY 12 HA1 GLY 12 -0.718 -7.146 -6.589 74 H THR 13 HN THR 13 -0.910 -4.658 -4.780 75 HA THR 13 HA THR 13 0.045 -2.840 -6.747 76 HB THR 13 HB THR 13 -0.967 -2.262 -3.972 77 HG1 THR 13 HG1 THR 13 -2.653 -3.219 -4.787 78 HG21 THR 13 HG21 THR 13 -1.004 -0.559 -6.480 79 HG22 THR 13 HG22 THR 13 -0.002 -0.298 -5.043 80 HG23 THR 13 HG23 THR 13 -1.748 -0.129 -4.937 81 H CYS 14 HN CYS 14 1.465 -1.165 -6.369 82 HA CYS 14 HA CYS 14 3.420 -1.217 -4.247 83 HB2 CYS 14 HB2 CYS 14 4.213 -1.390 -7.190 84 HB3 CYS 14 HB1 CYS 14 5.311 -1.071 -5.865 85 H ALA 15 HN ALA 15 3.761 0.873 -3.730 86 HA ALA 15 HA ALA 15 3.585 2.943 -5.734 87 HB1 ALA 15 HB1 ALA 15 1.595 2.878 -3.460 88 HB2 ALA 15 HB2 ALA 15 1.210 2.646 -5.165 89 HB3 ALA 15 HB3 ALA 15 1.806 4.209 -4.598 90 H ASP 16 HN ASP 16 3.982 5.110 -4.668 91 HA ASP 16 HA ASP 16 5.963 4.717 -2.550 92 HB2 ASP 16 HB2 ASP 16 6.645 5.771 -4.754 93 HB3 ASP 16 HB1 ASP 16 5.590 7.117 -4.333 94 H PHE 17 HN PHE 17 5.322 5.177 -0.638 95 HA PHE 17 HA PHE 17 3.077 7.013 -0.209 96 HB2 PHE 17 HB2 PHE 17 4.139 4.712 1.444 97 HB3 PHE 17 HB1 PHE 17 2.821 5.725 1.952 98 HD1 PHE 17 HD1 PHE 17 3.855 3.176 -0.475 99 HD2 PHE 17 HD2 PHE 17 0.581 5.440 1.039 100 HE1 PHE 17 HE1 PHE 17 2.314 1.772 -1.675 101 HE2 PHE 17 HE2 PHE 17 -0.955 4.016 -0.169 102 HZ PHE 17 HZ PHE 17 -0.114 2.183 -1.543 103 HA PRO 18 HA PRO 18 5.578 9.760 2.274 104 HB2 PRO 18 HB2 PRO 18 3.790 9.309 4.604 105 HB3 PRO 18 HB1 PRO 18 4.207 10.817 3.787 106 HG2 PRO 18 HG2 PRO 18 1.805 9.739 3.464 107 HG3 PRO 18 HG1 PRO 18 2.651 10.486 2.096 108 HD2 PRO 18 HD2 PRO 18 2.356 7.595 2.794 109 HD3 PRO 18 HD1 PRO 18 2.231 8.375 1.204 110 H TRP 19 HN TRP 19 6.960 9.877 4.122 111 HA TRP 19 HA TRP 19 8.299 7.523 4.860 112 HB2 TRP 19 HB2 TRP 19 9.203 9.881 4.864 113 HB3 TRP 19 HB1 TRP 19 8.241 10.186 6.301 114 HD1 TRP 19 HD1 TRP 19 11.412 8.441 5.125 115 HE1 TRP 19 HE1 TRP 19 12.811 7.794 7.173 116 HE3 TRP 19 3HE TRP 19 8.048 9.546 8.720 117 HZ2 TRP 19 HZ2 TRP 19 12.525 7.769 9.990 118 HZ3 TRP 19 HZ3 TRP 19 8.663 9.199 11.112 119 HH2 TRP 19 2HH TRP 19 10.861 8.323 11.715 120 HA PRO 20 HA PRO 20 9.250 6.433 6.262 121 HB2 PRO 20 HB2 PRO 20 9.394 4.339 7.875 122 HB3 PRO 20 HB1 PRO 20 9.564 5.982 8.501 123 HG2 PRO 20 HG2 PRO 20 7.285 4.099 8.762 124 HG3 PRO 20 HG1 PRO 20 7.795 5.411 9.838 125 HD2 PRO 20 HD2 PRO 20 5.747 5.442 7.824 126 HD3 PRO 20 HD1 PRO 20 6.244 6.765 8.892 127 H LEU 21 HN LEU 21 6.448 5.610 5.041 128 HA LEU 21 HA LEU 21 6.681 2.797 4.637 129 HB2 LEU 21 HB2 LEU 21 5.005 4.943 3.365 130 HB3 LEU 21 HB1 LEU 21 4.887 3.249 2.930 131 HG LEU 21 HG LEU 21 4.391 4.226 5.746 132 HD11 LEU 21 HD11 LEU 21 2.827 5.357 4.250 133 HD12 LEU 21 HD12 LEU 21 1.998 4.097 5.171 134 HD13 LEU 21 HD13 LEU 21 2.430 3.819 3.486 135 HD21 LEU 21 HD21 LEU 21 3.585 1.769 4.225 136 HD22 LEU 21 HD22 LEU 21 3.181 2.117 5.908 137 HD23 LEU 21 HD23 LEU 21 4.865 1.834 5.439 138 H GLY 22 HN GLY 22 7.005 5.646 2.524 139 HA2 GLY 22 HA2 GLY 22 8.281 5.948 0.624 140 HA3 GLY 22 HA1 GLY 22 9.247 4.561 1.128 141 H HIS 23 HN HIS 23 9.317 3.568 -0.876 142 HA HIS 23 HA HIS 23 6.838 3.015 -2.260 143 HB2 HIS 23 HB2 HIS 23 8.996 3.491 -3.501 144 HB3 HIS 23 HB1 HIS 23 9.599 1.957 -2.898 145 HD1 HIS 23 HD1 HIS 23 7.434 3.440 -5.521 146 HD2 HIS 23 HD2 HIS 23 8.380 -0.272 -3.980 147 HE1 HIS 23 HE1 HIS 23 6.569 1.758 -7.206 148 H GLN 24 HN GLN 24 5.607 1.493 -1.651 149 HA GLN 24 HA GLN 24 6.761 -0.898 -0.366 150 HB2 GLN 24 HB2 GLN 24 4.127 0.454 0.157 151 HB3 GLN 24 HB1 GLN 24 4.608 -1.086 0.828 152 HG2 GLN 24 HG2 GLN 24 5.966 1.544 1.361 153 HG3 GLN 24 HG1 GLN 24 4.766 0.790 2.402 154 HE21 GLN 24 1HE2 GLN 24 6.036 0.512 4.124 155 HE22 GLN 24 2HE2 GLN 24 7.403 -0.538 4.173 156 H CYS 25 HN CYS 25 5.953 -2.841 -1.007 157 HA CYS 25 HA CYS 25 3.828 -2.861 -2.996 158 HB2 CYS 25 HB2 CYS 25 6.141 -4.782 -2.570 159 HB3 CYS 25 HB1 CYS 25 4.766 -5.138 -3.612 160 H PHE 26 HN PHE 26 2.187 -4.503 -2.654 161 HA PHE 26 HA PHE 26 2.068 -5.123 0.228 162 HB2 PHE 26 HB2 PHE 26 -0.201 -4.198 -1.501 163 HB3 PHE 26 HB1 PHE 26 -0.272 -4.525 0.228 164 HD1 PHE 26 HD1 PHE 26 1.570 -3.293 1.607 165 HD2 PHE 26 HD2 PHE 26 0.078 -2.014 -2.165 166 HE1 PHE 26 HE1 PHE 26 2.327 -1.009 2.073 167 HE2 PHE 26 HE2 PHE 26 0.825 0.216 -1.705 168 HZ PHE 26 HZ PHE 26 1.941 0.752 0.384 169 HA PRO 27 HA PRO 27 1.438 -9.304 -1.470 170 HB2 PRO 27 HB2 PRO 27 1.692 -9.903 1.421 171 HB3 PRO 27 HB1 PRO 27 2.548 -10.616 0.052 172 HG2 PRO 27 HG2 PRO 27 3.796 -8.931 1.679 173 HG3 PRO 27 HG1 PRO 27 4.077 -8.873 -0.069 174 HD2 PRO 27 HD2 PRO 27 2.380 -7.093 1.635 175 HD3 PRO 27 HD1 PRO 27 3.478 -6.671 0.305 176 H ASP 28 HN ASP 28 -0.225 -7.589 1.031 177 HA ASP 28 HA ASP 28 -2.584 -9.272 0.572 178 HB2 ASP 28 HB2 ASP 28 -3.190 -9.252 2.923 179 HB3 ASP 28 HB1 ASP 28 -1.556 -9.875 2.770 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -1.369 -6.419 -0.038 2 HA2 GLY 1 HA2 GLY 1 -2.492 -4.474 -0.575 3 HA3 GLY 1 HA1 GLY 1 -3.946 -5.155 0.133 4 H PHE 2 HN PHE 2 -3.628 -2.616 0.602 5 HA PHE 2 HA PHE 2 -3.260 -2.508 3.467 6 HB2 PHE 2 HB2 PHE 2 -0.977 -2.180 2.772 7 HB3 PHE 2 HB1 PHE 2 -1.460 -0.991 1.583 8 HD1 PHE 2 HD1 PHE 2 -1.010 1.163 2.078 9 HD2 PHE 2 HD2 PHE 2 -1.758 -1.536 5.274 10 HE1 PHE 2 HE1 PHE 2 -0.549 2.944 3.657 11 HE2 PHE 2 HE2 PHE 2 -1.302 0.253 6.893 12 HZ PHE 2 HZ PHE 2 -0.686 2.506 6.098 13 H CYS 3 HN CYS 3 -4.679 -1.030 4.317 14 HA CYS 3 HA CYS 3 -6.037 0.613 2.389 15 HB2 CYS 3 HB2 CYS 3 -6.921 -0.368 5.104 16 HB3 CYS 3 HB1 CYS 3 -7.836 0.770 4.124 17 H TRP 4 HN TRP 4 -5.946 2.634 2.487 18 HA TRP 4 HA TRP 4 -4.783 4.105 4.683 19 HB2 TRP 4 HB2 TRP 4 -2.768 3.327 3.804 20 HB3 TRP 4 HB1 TRP 4 -3.342 3.417 2.150 21 HD1 TRP 4 HD1 TRP 4 -1.992 5.662 4.957 22 HE1 TRP 4 HE1 TRP 4 -1.107 7.818 3.845 23 HE3 TRP 4 3HE TRP 4 -3.504 4.784 0.191 24 HZ2 TRP 4 HZ2 TRP 4 -1.100 8.937 1.413 25 HZ3 TRP 4 HZ3 TRP 4 -3.021 6.440 -1.520 26 HH2 TRP 4 2HH TRP 4 -1.820 8.516 -0.951 27 H HIS 5 HN HIS 5 -4.861 6.417 4.357 28 HA HIS 5 HA HIS 5 -6.323 8.104 4.167 29 HB2 HIS 5 HB2 HIS 5 -4.702 7.802 1.767 30 HB3 HIS 5 HB1 HIS 5 -5.931 9.093 1.696 31 HD1 HIS 5 HD1 HIS 5 -3.952 10.849 1.707 32 HD2 HIS 5 HD2 HIS 5 -4.112 8.389 5.035 33 HE1 HIS 5 HE1 HIS 5 -2.389 11.861 3.403 34 H HIS 6 HN HIS 6 -8.057 6.287 4.260 35 HA HIS 6 HA HIS 6 -10.243 5.836 3.966 36 HB2 HIS 6 HB2 HIS 6 -10.258 8.356 2.288 37 HB3 HIS 6 HB1 HIS 6 -11.707 7.445 2.687 38 HD1 HIS 6 HD1 HIS 6 -12.493 7.547 5.223 39 HD2 HIS 6 HD2 HIS 6 -9.265 9.977 4.259 40 HE1 HIS 6 HE1 HIS 6 -12.245 9.169 7.132 41 H SER 7 HN SER 7 -8.097 5.326 1.737 42 HA SER 7 HA SER 7 -9.983 4.019 -0.084 43 HB2 SER 7 HB2 SER 7 -7.225 5.126 -0.685 44 HB3 SER 7 HB1 SER 7 -8.325 4.374 -1.844 45 HG SER 7 HG SER 7 -9.472 6.386 -0.443 46 H CYS 8 HN CYS 8 -8.232 2.254 -1.297 47 HA CYS 8 HA CYS 8 -6.459 1.226 0.678 48 HB2 CYS 8 HB2 CYS 8 -8.817 0.292 1.184 49 HB3 CYS 8 HB1 CYS 8 -8.643 -0.557 -0.355 50 H VAL 9 HN VAL 9 -5.022 -0.183 -0.216 51 HA VAL 9 HA VAL 9 -5.185 -0.327 -3.103 52 HB VAL 9 HB VAL 9 -2.743 -0.516 -3.196 53 HG11 VAL 9 HG11 VAL 9 -2.168 1.840 -2.707 54 HG12 VAL 9 HG12 VAL 9 -3.672 2.003 -1.813 55 HG13 VAL 9 3HG1 VAL 9 -3.709 1.699 -3.562 56 HG21 VAL 9 HG21 VAL 9 -2.195 -1.294 -0.956 57 HG22 VAL 9 HG22 VAL 9 -2.701 0.278 -0.286 58 HG23 VAL 9 HG23 VAL 9 -1.311 0.180 -1.350 59 HA PRO 10 HA PRO 10 -5.708 -4.595 -2.399 60 HB2 PRO 10 HB2 PRO 10 -5.448 -5.454 -4.962 61 HB3 PRO 10 HB1 PRO 10 -6.885 -4.628 -4.354 62 HG2 PRO 10 HG2 PRO 10 -4.619 -3.547 -5.965 63 HG3 PRO 10 HG1 PRO 10 -6.349 -3.193 -6.091 64 HD2 PRO 10 HD2 PRO 10 -4.549 -1.559 -4.861 65 HD3 PRO 10 HD1 PRO 10 -6.260 -1.610 -4.416 66 H SER 11 HN SER 11 -4.642 -6.690 -2.779 67 HA SER 11 HA SER 11 -1.911 -6.631 -2.206 68 HB2 SER 11 HB2 SER 11 -3.346 -9.005 -3.386 69 HB3 SER 11 HB1 SER 11 -2.046 -8.934 -2.178 70 HG SER 11 HG SER 11 -4.764 -8.650 -1.860 71 H GLY 12 HN GLY 12 -0.186 -6.530 -3.540 72 HA2 GLY 12 HA2 GLY 12 0.913 -7.219 -5.574 73 HA3 GLY 12 HA1 GLY 12 -0.630 -7.041 -6.401 74 H THR 13 HN THR 13 -0.767 -4.559 -4.492 75 HA THR 13 HA THR 13 0.053 -2.709 -6.514 76 HB THR 13 HB THR 13 -0.904 -2.189 -3.726 77 HG1 THR 13 HG1 THR 13 -2.588 -3.145 -4.546 78 HG21 THR 13 HG21 THR 13 -0.918 -0.432 -6.191 79 HG22 THR 13 HG22 THR 13 0.012 -0.186 -4.702 80 HG23 THR 13 HG23 THR 13 -1.736 -0.033 -4.681 81 H CYS 14 HN CYS 14 1.482 -1.105 -6.215 82 HA CYS 14 HA CYS 14 3.457 -1.139 -4.099 83 HB2 CYS 14 HB2 CYS 14 4.163 -1.340 -7.049 84 HB3 CYS 14 HB1 CYS 14 5.313 -1.010 -5.761 85 H ALA 15 HN ALA 15 3.800 0.941 -3.589 86 HA ALA 15 HA ALA 15 3.491 2.983 -5.607 87 HB1 ALA 15 HB1 ALA 15 1.174 2.583 -4.949 88 HB2 ALA 15 HB2 ALA 15 1.719 4.188 -4.456 89 HB3 ALA 15 HB3 ALA 15 1.599 2.893 -3.267 90 H ASP 16 HN ASP 16 4.135 5.027 -4.888 91 HA ASP 16 HA ASP 16 6.043 4.861 -2.698 92 HB2 ASP 16 HB2 ASP 16 6.755 5.683 -4.954 93 HB3 ASP 16 HB1 ASP 16 5.667 7.048 -4.741 94 H PHE 17 HN PHE 17 5.464 5.485 -0.868 95 HA PHE 17 HA PHE 17 3.526 7.659 -0.543 96 HB2 PHE 17 HB2 PHE 17 3.982 5.186 1.131 97 HB3 PHE 17 HB1 PHE 17 2.893 6.436 1.608 98 HD1 PHE 17 HD1 PHE 17 1.369 7.100 -0.711 99 HD2 PHE 17 HD2 PHE 17 2.768 3.244 0.473 100 HE1 PHE 17 HE1 PHE 17 -0.460 6.033 -1.948 101 HE2 PHE 17 HE2 PHE 17 0.960 2.213 -0.743 102 HZ PHE 17 HZ PHE 17 -0.668 3.588 -1.969 103 HA PRO 18 HA PRO 18 6.617 9.668 2.013 104 HB2 PRO 18 HB2 PRO 18 4.720 9.903 4.270 105 HB3 PRO 18 HB1 PRO 18 5.524 11.179 3.352 106 HG2 PRO 18 HG2 PRO 18 2.911 10.703 3.059 107 HG3 PRO 18 HG1 PRO 18 3.922 11.169 1.681 108 HD2 PRO 18 HD2 PRO 18 2.912 8.448 2.446 109 HD3 PRO 18 HD1 PRO 18 3.028 9.197 0.842 110 H TRP 19 HN TRP 19 7.894 9.463 3.955 111 HA TRP 19 HA TRP 19 8.476 6.883 4.876 112 HB2 TRP 19 HB2 TRP 19 10.015 8.860 4.984 113 HB3 TRP 19 HB1 TRP 19 8.995 9.548 6.238 114 HD1 TRP 19 HD1 TRP 19 11.689 6.926 5.665 115 HE1 TRP 19 HE1 TRP 19 12.517 6.071 7.941 116 HE3 TRP 19 3HE TRP 19 8.244 9.145 8.608 117 HZ2 TRP 19 HZ2 TRP 19 11.799 6.326 10.664 118 HZ3 TRP 19 HZ3 TRP 19 8.356 8.816 11.077 119 HH2 TRP 19 2HH TRP 19 10.106 7.422 12.066 120 HA PRO 20 HA PRO 20 9.050 5.662 6.450 121 HB2 PRO 20 HB2 PRO 20 8.512 3.593 7.973 122 HB3 PRO 20 HB1 PRO 20 8.873 5.159 8.715 123 HG2 PRO 20 HG2 PRO 20 6.235 3.810 8.328 124 HG3 PRO 20 HG1 PRO 20 6.815 4.746 9.714 125 HD2 PRO 20 HD2 PRO 20 5.195 5.705 7.624 126 HD3 PRO 20 HD1 PRO 20 6.066 6.698 8.809 127 H LEU 21 HN LEU 21 6.392 5.595 4.752 128 HA LEU 21 HA LEU 21 6.213 2.782 4.224 129 HB2 LEU 21 HB2 LEU 21 4.911 5.214 3.028 130 HB3 LEU 21 HB1 LEU 21 4.611 3.583 2.457 131 HG LEU 21 HG LEU 21 4.065 4.402 5.316 132 HD11 LEU 21 HD11 LEU 21 2.179 4.379 2.965 133 HD12 LEU 21 HD12 LEU 21 2.730 5.823 3.823 134 HD13 LEU 21 HD13 LEU 21 1.724 4.629 4.649 135 HD21 LEU 21 HD21 LEU 21 3.046 2.204 3.563 136 HD22 LEU 21 HD22 LEU 21 2.612 2.467 5.256 137 HD23 LEU 21 HD23 LEU 21 4.267 2.012 4.822 138 H GLY 22 HN GLY 22 7.101 5.695 2.333 139 HA2 GLY 22 HA2 GLY 22 8.524 5.887 0.513 140 HA3 GLY 22 HA1 GLY 22 9.293 4.391 1.048 141 H HIS 23 HN HIS 23 9.380 3.341 -0.972 142 HA HIS 23 HA HIS 23 6.860 3.030 -2.392 143 HB2 HIS 23 HB2 HIS 23 8.948 3.450 -3.747 144 HB3 HIS 23 HB1 HIS 23 9.606 1.945 -3.127 145 HD1 HIS 23 HD1 HIS 23 7.260 3.298 -5.716 146 HD2 HIS 23 HD2 HIS 23 8.492 -0.340 -4.180 147 HE1 HIS 23 HE1 HIS 23 6.418 1.568 -7.322 148 H GLN 24 HN GLN 24 5.615 1.713 -1.348 149 HA GLN 24 HA GLN 24 6.697 -0.763 -0.184 150 HB2 GLN 24 HB2 GLN 24 4.063 0.622 0.153 151 HB3 GLN 24 HB1 GLN 24 4.436 -0.918 0.874 152 HG2 GLN 24 HG2 GLN 24 5.810 1.692 1.452 153 HG3 GLN 24 HG1 GLN 24 4.549 0.954 2.429 154 HE21 GLN 24 1HE2 GLN 24 5.717 0.731 4.239 155 HE22 GLN 24 2HE2 GLN 24 7.094 -0.303 4.387 156 H CYS 25 HN CYS 25 6.093 -2.705 -0.949 157 HA CYS 25 HA CYS 25 3.924 -2.805 -2.890 158 HB2 CYS 25 HB2 CYS 25 6.290 -4.660 -2.478 159 HB3 CYS 25 HB1 CYS 25 4.899 -5.095 -3.467 160 H PHE 26 HN PHE 26 2.217 -4.156 -2.448 161 HA PHE 26 HA PHE 26 2.132 -4.980 0.383 162 HB2 PHE 26 HB2 PHE 26 -0.119 -3.945 -1.322 163 HB3 PHE 26 HB1 PHE 26 -0.199 -4.314 0.393 164 HD1 PHE 26 HD1 PHE 26 1.295 -2.963 1.956 165 HD2 PHE 26 HD2 PHE 26 0.498 -1.839 -2.072 166 HE1 PHE 26 HE1 PHE 26 1.954 -0.652 2.461 167 HE2 PHE 26 HE2 PHE 26 1.151 0.438 -1.584 168 HZ PHE 26 HZ PHE 26 1.881 1.057 0.691 169 HA PRO 27 HA PRO 27 1.384 -8.943 -1.795 170 HB2 PRO 27 HB2 PRO 27 1.771 -10.099 0.868 171 HB3 PRO 27 HB1 PRO 27 2.679 -10.392 -0.615 172 HG2 PRO 27 HG2 PRO 27 3.728 -9.043 1.456 173 HG3 PRO 27 HG1 PRO 27 4.138 -8.656 -0.219 174 HD2 PRO 27 HD2 PRO 27 2.254 -7.269 1.643 175 HD3 PRO 27 HD1 PRO 27 3.408 -6.574 0.484 176 H ASP 28 HN ASP 28 -0.126 -7.589 0.946 177 HA ASP 28 HA ASP 28 -2.491 -9.269 0.485 178 HB2 ASP 28 HB2 ASP 28 -2.960 -9.442 2.839 179 HB3 ASP 28 HB1 ASP 28 -1.297 -9.949 2.597 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -1.311 -6.287 0.188 2 HA2 GLY 1 HA2 GLY 1 -2.628 -4.446 -0.531 3 HA3 GLY 1 HA1 GLY 1 -3.998 -5.122 0.340 4 H PHE 2 HN PHE 2 -3.400 -2.457 0.585 5 HA PHE 2 HA PHE 2 -2.892 -2.243 3.442 6 HB2 PHE 2 HB2 PHE 2 -0.663 -1.973 2.578 7 HB3 PHE 2 HB1 PHE 2 -1.220 -0.843 1.362 8 HD1 PHE 2 HD1 PHE 2 -1.005 1.409 1.742 9 HD2 PHE 2 HD2 PHE 2 -1.006 -1.247 5.065 10 HE1 PHE 2 HE1 PHE 2 -0.448 3.265 3.201 11 HE2 PHE 2 HE2 PHE 2 -0.448 0.636 6.556 12 HZ PHE 2 HZ PHE 2 -0.166 2.893 5.628 13 H CYS 3 HN CYS 3 -4.133 -0.606 4.341 14 HA CYS 3 HA CYS 3 -5.732 0.815 2.428 15 HB2 CYS 3 HB2 CYS 3 -6.309 0.213 5.328 16 HB3 CYS 3 HB1 CYS 3 -7.397 1.016 4.200 17 H TRP 4 HN TRP 4 -5.660 2.841 2.307 18 HA TRP 4 HA TRP 4 -4.512 4.606 4.267 19 HB2 TRP 4 HB2 TRP 4 -2.461 3.786 3.389 20 HB3 TRP 4 HB1 TRP 4 -3.052 3.845 1.737 21 HD1 TRP 4 HD1 TRP 4 -1.982 6.226 4.559 22 HE1 TRP 4 HE1 TRP 4 -1.149 8.409 3.480 23 HE3 TRP 4 3HE TRP 4 -3.042 5.131 -0.277 24 HZ2 TRP 4 HZ2 TRP 4 -0.989 9.486 0.930 25 HZ3 TRP 4 HZ3 TRP 4 -2.521 6.753 -2.005 26 HH2 TRP 4 2HH TRP 4 -1.501 8.924 -1.439 27 H HIS 5 HN HIS 5 -4.758 6.902 3.633 28 HA HIS 5 HA HIS 5 -5.902 8.623 2.885 29 HB2 HIS 5 HB2 HIS 5 -4.548 7.586 0.877 30 HB3 HIS 5 HB1 HIS 5 -6.166 7.405 0.180 31 HD1 HIS 5 HD1 HIS 5 -6.905 9.461 -1.117 32 HD2 HIS 5 HD2 HIS 5 -4.117 10.252 1.832 33 HE1 HIS 5 HE1 HIS 5 -6.338 11.897 -1.374 34 H HIS 6 HN HIS 6 -7.340 6.324 3.931 35 HA HIS 6 HA HIS 6 -9.419 5.674 4.439 36 HB2 HIS 6 HB2 HIS 6 -10.311 7.971 2.675 37 HB3 HIS 6 HB1 HIS 6 -11.435 6.944 3.551 38 HD1 HIS 6 HD1 HIS 6 -12.206 8.071 5.654 39 HD2 HIS 6 HD2 HIS 6 -8.293 9.083 4.680 40 HE1 HIS 6 HE1 HIS 6 -11.429 9.669 7.440 41 H SER 7 HN SER 7 -8.090 5.339 1.539 42 HA SER 7 HA SER 7 -10.187 3.603 0.461 43 HB2 SER 7 HB2 SER 7 -7.680 4.741 -0.813 44 HB3 SER 7 HB1 SER 7 -8.929 3.811 -1.639 45 HG SER 7 HG SER 7 -10.328 5.591 -0.700 46 H CYS 8 HN CYS 8 -8.651 1.781 -0.899 47 HA CYS 8 HA CYS 8 -6.450 1.069 0.790 48 HB2 CYS 8 HB2 CYS 8 -8.631 0.022 1.702 49 HB3 CYS 8 HB1 CYS 8 -8.559 -0.963 0.228 50 H VAL 9 HN VAL 9 -4.980 -0.003 -0.199 51 HA VAL 9 HA VAL 9 -5.404 -0.351 -3.051 52 HB VAL 9 HB VAL 9 -2.932 -0.392 -3.324 53 HG11 VAL 9 HG11 VAL 9 -4.001 2.079 -1.978 54 HG12 VAL 9 HG12 VAL 9 -4.035 1.724 -3.723 55 HG13 VAL 9 3HG1 VAL 9 -2.494 1.991 -2.879 56 HG21 VAL 9 HG21 VAL 9 -2.182 -1.025 -1.085 57 HG22 VAL 9 HG22 VAL 9 -2.761 0.542 -0.460 58 HG23 VAL 9 HG23 VAL 9 -1.449 0.488 -1.611 59 HA PRO 10 HA PRO 10 -5.652 -4.603 -2.188 60 HB2 PRO 10 HB2 PRO 10 -5.671 -5.560 -4.710 61 HB3 PRO 10 HB1 PRO 10 -7.040 -4.688 -4.013 62 HG2 PRO 10 HG2 PRO 10 -4.917 -3.706 -5.869 63 HG3 PRO 10 HG1 PRO 10 -6.654 -3.361 -5.875 64 HD2 PRO 10 HD2 PRO 10 -4.761 -1.665 -4.868 65 HD3 PRO 10 HD1 PRO 10 -6.439 -1.687 -4.303 66 H SER 11 HN SER 11 -4.602 -6.663 -2.605 67 HA SER 11 HA SER 11 -1.871 -6.629 -2.256 68 HB2 SER 11 HB2 SER 11 -2.154 -9.102 -2.826 69 HB3 SER 11 HB1 SER 11 -3.099 -8.469 -1.480 70 HG SER 11 HG SER 11 -4.615 -9.470 -2.615 71 H GLY 12 HN GLY 12 -0.221 -6.513 -3.641 72 HA2 GLY 12 HA2 GLY 12 0.753 -7.144 -5.790 73 HA3 GLY 12 HA1 GLY 12 -0.827 -6.857 -6.501 74 H THR 13 HN THR 13 -0.948 -4.440 -4.603 75 HA THR 13 HA THR 13 -0.067 -2.589 -6.565 76 HB THR 13 HB THR 13 -0.919 -2.012 -3.744 77 HG1 THR 13 HG1 THR 13 -2.626 -3.043 -4.611 78 HG21 THR 13 HG21 THR 13 -1.651 0.175 -4.646 79 HG22 THR 13 HG22 THR 13 -1.022 -0.292 -6.226 80 HG23 THR 13 HG23 THR 13 0.077 -0.095 -4.860 81 H CYS 14 HN CYS 14 1.430 -1.102 -6.338 82 HA CYS 14 HA CYS 14 3.435 -1.112 -4.243 83 HB2 CYS 14 HB2 CYS 14 4.121 -1.391 -7.199 84 HB3 CYS 14 HB1 CYS 14 5.273 -1.063 -5.921 85 H ALA 15 HN ALA 15 3.816 0.959 -3.800 86 HA ALA 15 HA ALA 15 3.551 2.983 -5.852 87 HB1 ALA 15 HB1 ALA 15 1.818 4.258 -4.677 88 HB2 ALA 15 HB2 ALA 15 1.684 2.960 -3.489 89 HB3 ALA 15 HB3 ALA 15 1.219 2.667 -5.163 90 H ASP 16 HN ASP 16 4.044 5.148 -4.958 91 HA ASP 16 HA ASP 16 6.076 4.880 -2.889 92 HB2 ASP 16 HB2 ASP 16 6.693 5.904 -5.077 93 HB3 ASP 16 HB1 ASP 16 5.522 7.179 -4.766 94 H PHE 17 HN PHE 17 5.370 5.258 -0.956 95 HA PHE 17 HA PHE 17 3.316 7.300 -0.484 96 HB2 PHE 17 HB2 PHE 17 4.144 4.899 1.190 97 HB3 PHE 17 HB1 PHE 17 2.880 5.991 1.641 98 HD1 PHE 17 HD1 PHE 17 0.669 5.944 0.463 99 HD2 PHE 17 HD2 PHE 17 3.785 3.191 -0.507 100 HE1 PHE 17 HE1 PHE 17 -0.913 4.552 -0.717 101 HE2 PHE 17 HE2 PHE 17 2.193 1.832 -1.681 102 HZ PHE 17 HZ PHE 17 -0.176 2.490 -1.798 103 HA PRO 18 HA PRO 18 6.455 9.411 1.979 104 HB2 PRO 18 HB2 PRO 18 4.624 9.706 4.251 105 HB3 PRO 18 HB1 PRO 18 5.304 10.952 3.202 106 HG2 PRO 18 HG2 PRO 18 2.705 10.316 3.101 107 HG3 PRO 18 HG1 PRO 18 3.608 10.743 1.638 108 HD2 PRO 18 HD2 PRO 18 2.878 8.014 2.665 109 HD3 PRO 18 HD1 PRO 18 2.752 8.672 1.017 110 H TRP 19 HN TRP 19 7.750 9.235 3.923 111 HA TRP 19 HA TRP 19 8.220 6.644 4.932 112 HB2 TRP 19 HB2 TRP 19 9.783 8.699 4.900 113 HB3 TRP 19 HB1 TRP 19 8.906 9.254 6.315 114 HD1 TRP 19 HD1 TRP 19 11.474 6.666 5.196 115 HE1 TRP 19 HE1 TRP 19 12.562 5.616 7.275 116 HE3 TRP 19 3HE TRP 19 8.474 8.687 8.745 117 HZ2 TRP 19 HZ2 TRP 19 12.189 5.655 10.084 118 HZ3 TRP 19 HZ3 TRP 19 8.891 8.140 11.133 119 HH2 TRP 19 2HH TRP 19 10.710 6.652 11.770 120 HA PRO 20 HA PRO 20 8.826 5.570 6.880 121 HB2 PRO 20 HB2 PRO 20 7.969 3.536 8.315 122 HB3 PRO 20 HB1 PRO 20 8.343 5.083 9.089 123 HG2 PRO 20 HG2 PRO 20 5.681 3.951 8.315 124 HG3 PRO 20 HG1 PRO 20 6.147 4.754 9.823 125 HD2 PRO 20 HD2 PRO 20 4.863 6.011 7.719 126 HD3 PRO 20 HD1 PRO 20 5.856 6.841 8.934 127 H LEU 21 HN LEU 21 6.185 5.456 5.010 128 HA LEU 21 HA LEU 21 6.223 2.643 4.431 129 HB2 LEU 21 HB2 LEU 21 4.816 4.975 3.166 130 HB3 LEU 21 HB1 LEU 21 4.612 3.309 2.651 131 HG LEU 21 HG LEU 21 3.940 4.266 5.440 132 HD11 LEU 21 HD11 LEU 21 1.615 4.248 4.687 133 HD12 LEU 21 HD12 LEU 21 2.154 3.903 3.042 134 HD13 LEU 21 HD13 LEU 21 2.561 5.446 3.799 135 HD21 LEU 21 HD21 LEU 21 2.661 2.209 5.512 136 HD22 LEU 21 HD22 LEU 21 4.360 1.860 5.141 137 HD23 LEU 21 HD23 LEU 21 3.144 1.860 3.854 138 H GLY 22 HN GLY 22 6.941 5.630 2.613 139 HA2 GLY 22 HA2 GLY 22 8.397 5.963 0.851 140 HA3 GLY 22 HA1 GLY 22 9.227 4.483 1.340 141 H HIS 23 HN HIS 23 9.377 3.585 -0.763 142 HA HIS 23 HA HIS 23 6.876 3.183 -2.172 143 HB2 HIS 23 HB2 HIS 23 9.028 3.581 -3.484 144 HB3 HIS 23 HB1 HIS 23 9.592 2.025 -2.882 145 HD1 HIS 23 HD1 HIS 23 7.367 3.553 -5.448 146 HD2 HIS 23 HD2 HIS 23 8.281 -0.169 -3.913 147 HE1 HIS 23 HE1 HIS 23 6.276 1.887 -7.000 148 H GLN 24 HN GLN 24 5.626 1.571 -1.762 149 HA GLN 24 HA GLN 24 6.751 -0.785 -0.394 150 HB2 GLN 24 HB2 GLN 24 4.151 0.612 0.146 151 HB3 GLN 24 HB1 GLN 24 4.583 -0.951 0.794 152 HG2 GLN 24 HG2 GLN 24 6.095 1.583 1.332 153 HG3 GLN 24 HG1 GLN 24 4.805 0.960 2.351 154 HE21 GLN 24 1HE2 GLN 24 6.046 0.695 4.090 155 HE22 GLN 24 2HE2 GLN 24 7.303 -0.483 4.243 156 H CYS 25 HN CYS 25 6.028 -2.691 -1.073 157 HA CYS 25 HA CYS 25 3.843 -2.777 -2.991 158 HB2 CYS 25 HB2 CYS 25 6.180 -4.643 -2.538 159 HB3 CYS 25 HB1 CYS 25 4.784 -5.088 -3.513 160 H PHE 26 HN PHE 26 2.140 -4.200 -2.500 161 HA PHE 26 HA PHE 26 2.148 -4.956 0.352 162 HB2 PHE 26 HB2 PHE 26 -0.193 -4.017 -1.273 163 HB3 PHE 26 HB1 PHE 26 -0.183 -4.349 0.455 164 HD1 PHE 26 HD1 PHE 26 1.693 -3.052 1.777 165 HD2 PHE 26 HD2 PHE 26 0.033 -1.840 -1.956 166 HE1 PHE 26 HE1 PHE 26 2.398 -0.732 2.192 167 HE2 PHE 26 HE2 PHE 26 0.732 0.410 -1.543 168 HZ PHE 26 HZ PHE 26 1.904 1.005 0.492 169 HA PRO 27 HA PRO 27 1.603 -9.071 -1.516 170 HB2 PRO 27 HB2 PRO 27 1.645 -9.773 1.363 171 HB3 PRO 27 HB1 PRO 27 2.589 -10.444 0.030 172 HG2 PRO 27 HG2 PRO 27 3.694 -8.806 1.827 173 HG3 PRO 27 HG1 PRO 27 4.159 -8.758 0.119 174 HD2 PRO 27 HD2 PRO 27 2.431 -6.900 1.673 175 HD3 PRO 27 HD1 PRO 27 3.572 -6.551 0.360 176 H ASP 28 HN ASP 28 -0.161 -7.642 1.158 177 HA ASP 28 HA ASP 28 -2.475 -9.305 0.412 178 HB2 ASP 28 HB2 ASP 28 -3.236 -9.388 2.682 179 HB3 ASP 28 HB1 ASP 28 -1.557 -9.904 2.674 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -1.508 -6.409 -0.054 2 HA2 GLY 1 HA2 GLY 1 -2.590 -4.459 -0.739 3 HA3 GLY 1 HA1 GLY 1 -4.058 -5.023 0.043 4 H PHE 2 HN PHE 2 -3.593 -2.469 0.426 5 HA PHE 2 HA PHE 2 -2.956 -2.323 3.241 6 HB2 PHE 2 HB2 PHE 2 -0.779 -1.975 2.210 7 HB3 PHE 2 HB1 PHE 2 -1.446 -0.736 1.165 8 HD1 PHE 2 HD1 PHE 2 -0.917 1.404 1.717 9 HD2 PHE 2 HD2 PHE 2 -1.285 -1.477 4.820 10 HE1 PHE 2 HE1 PHE 2 -0.295 3.096 3.329 11 HE2 PHE 2 HE2 PHE 2 -0.670 0.215 6.472 12 HZ PHE 2 HZ PHE 2 -0.154 2.525 5.744 13 H CYS 3 HN CYS 3 -4.352 -0.894 4.184 14 HA CYS 3 HA CYS 3 -5.936 0.668 2.309 15 HB2 CYS 3 HB2 CYS 3 -6.705 -0.315 5.062 16 HB3 CYS 3 HB1 CYS 3 -7.737 0.583 3.952 17 H TRP 4 HN TRP 4 -5.570 2.686 2.287 18 HA TRP 4 HA TRP 4 -4.707 4.151 4.643 19 HB2 TRP 4 HB2 TRP 4 -2.614 3.408 3.859 20 HB3 TRP 4 HB1 TRP 4 -3.072 3.619 2.179 21 HD1 TRP 4 HD1 TRP 4 -2.139 5.723 5.261 22 HE1 TRP 4 HE1 TRP 4 -1.153 7.937 4.415 23 HE3 TRP 4 3HE TRP 4 -2.902 5.033 0.301 24 HZ2 TRP 4 HZ2 TRP 4 -0.776 9.203 1.965 25 HZ3 TRP 4 HZ3 TRP 4 -2.208 6.728 -1.267 26 HH2 TRP 4 2HH TRP 4 -1.142 8.832 -0.476 27 H HIS 5 HN HIS 5 -4.794 6.556 4.264 28 HA HIS 5 HA HIS 5 -5.946 8.349 3.741 29 HB2 HIS 5 HB2 HIS 5 -4.424 7.693 1.698 30 HB3 HIS 5 HB1 HIS 5 -5.978 7.545 0.866 31 HD1 HIS 5 HD1 HIS 5 -6.727 9.724 -0.188 32 HD2 HIS 5 HD2 HIS 5 -4.272 10.203 3.106 33 HE1 HIS 5 HE1 HIS 5 -6.347 12.218 0.014 34 H HIS 6 HN HIS 6 -7.475 5.905 4.312 35 HA HIS 6 HA HIS 6 -9.557 5.166 4.506 36 HB2 HIS 6 HB2 HIS 6 -10.326 7.807 3.246 37 HB3 HIS 6 HB1 HIS 6 -11.519 6.631 3.783 38 HD1 HIS 6 HD1 HIS 6 -11.734 9.279 5.155 39 HD2 HIS 6 HD2 HIS 6 -9.132 6.321 6.494 40 HE1 HIS 6 HE1 HIS 6 -11.321 9.758 7.583 41 H SER 7 HN SER 7 -7.996 5.349 1.808 42 HA SER 7 HA SER 7 -9.967 3.989 0.162 43 HB2 SER 7 HB2 SER 7 -7.221 5.071 -0.532 44 HB3 SER 7 HB1 SER 7 -8.468 4.538 -1.664 45 HG SER 7 HG SER 7 -9.462 6.394 -0.002 46 H CYS 8 HN CYS 8 -8.345 2.227 -1.205 47 HA CYS 8 HA CYS 8 -6.366 1.195 0.557 48 HB2 CYS 8 HB2 CYS 8 -8.521 0.274 1.477 49 HB3 CYS 8 HB1 CYS 8 -8.710 -0.551 -0.083 50 H VAL 9 HN VAL 9 -4.958 0.136 -0.400 51 HA VAL 9 HA VAL 9 -5.262 -0.097 -3.272 52 HB VAL 9 HB VAL 9 -2.785 -0.395 -3.421 53 HG11 VAL 9 HG11 VAL 9 -3.698 2.115 -2.037 54 HG12 VAL 9 HG12 VAL 9 -3.669 1.824 -3.794 55 HG13 VAL 9 3HG1 VAL 9 -2.160 1.919 -2.867 56 HG21 VAL 9 HG21 VAL 9 -1.331 0.251 -1.620 57 HG22 VAL 9 HG22 VAL 9 -2.271 -1.160 -1.123 58 HG23 VAL 9 HG23 VAL 9 -2.688 0.476 -0.541 59 HA PRO 10 HA PRO 10 -5.950 -4.390 -3.006 60 HB2 PRO 10 HB2 PRO 10 -5.232 -5.087 -5.546 61 HB3 PRO 10 HB1 PRO 10 -6.758 -4.298 -5.138 62 HG2 PRO 10 HG2 PRO 10 -4.239 -3.111 -6.217 63 HG3 PRO 10 HG1 PRO 10 -5.920 -2.768 -6.662 64 HD2 PRO 10 HD2 PRO 10 -4.495 -1.155 -5.047 65 HD3 PRO 10 HD1 PRO 10 -6.242 -1.370 -4.842 66 H SER 11 HN SER 11 -4.896 -6.503 -3.308 67 HA SER 11 HA SER 11 -2.234 -6.423 -2.341 68 HB2 SER 11 HB2 SER 11 -3.629 -8.878 -3.413 69 HB3 SER 11 HB1 SER 11 -2.465 -8.706 -2.086 70 HG SER 11 HG SER 11 -4.554 -9.030 -1.362 71 H GLY 12 HN GLY 12 -0.400 -6.578 -3.522 72 HA2 GLY 12 HA2 GLY 12 0.736 -7.379 -5.521 73 HA3 GLY 12 HA1 GLY 12 -0.750 -7.061 -6.398 74 H THR 13 HN THR 13 -0.780 -4.587 -4.483 75 HA THR 13 HA THR 13 0.219 -2.822 -6.483 76 HB THR 13 HB THR 13 -0.753 -2.212 -3.713 77 HG1 THR 13 HG1 THR 13 -2.482 -3.033 -4.646 78 HG21 THR 13 HG21 THR 13 -1.290 0.053 -4.583 79 HG22 THR 13 HG22 THR 13 -0.601 -0.394 -6.137 80 HG23 THR 13 HG23 THR 13 0.429 -0.305 -4.711 81 H CYS 14 HN CYS 14 1.729 -1.343 -6.207 82 HA CYS 14 HA CYS 14 3.646 -1.328 -4.044 83 HB2 CYS 14 HB2 CYS 14 4.475 -1.720 -6.955 84 HB3 CYS 14 HB1 CYS 14 5.566 -1.357 -5.637 85 H ALA 15 HN ALA 15 4.034 0.778 -3.653 86 HA ALA 15 HA ALA 15 3.784 2.727 -5.770 87 HB1 ALA 15 HB1 ALA 15 1.442 2.306 -5.235 88 HB2 ALA 15 HB2 ALA 15 1.922 3.936 -4.743 89 HB3 ALA 15 HB3 ALA 15 1.771 2.655 -3.537 90 H ASP 16 HN ASP 16 4.102 4.920 -4.951 91 HA ASP 16 HA ASP 16 6.050 4.955 -2.791 92 HB2 ASP 16 HB2 ASP 16 6.757 6.057 -4.803 93 HB3 ASP 16 HB1 ASP 16 5.272 6.993 -4.882 94 H PHE 17 HN PHE 17 5.388 5.306 -0.844 95 HA PHE 17 HA PHE 17 3.147 7.126 -0.341 96 HB2 PHE 17 HB2 PHE 17 4.183 4.797 1.314 97 HB3 PHE 17 HB1 PHE 17 2.880 5.819 1.811 98 HD1 PHE 17 HD1 PHE 17 3.840 3.139 -0.481 99 HD2 PHE 17 HD2 PHE 17 0.650 5.670 0.768 100 HE1 PHE 17 HE1 PHE 17 2.275 1.766 -1.672 101 HE2 PHE 17 HE2 PHE 17 -0.924 4.268 -0.435 102 HZ PHE 17 HZ PHE 17 -0.131 2.311 -1.672 103 HA PRO 18 HA PRO 18 5.990 9.692 1.935 104 HB2 PRO 18 HB2 PRO 18 4.223 9.734 4.298 105 HB3 PRO 18 HB1 PRO 18 4.704 11.065 3.243 106 HG2 PRO 18 HG2 PRO 18 2.208 10.083 3.191 107 HG3 PRO 18 HG1 PRO 18 3.019 10.649 1.720 108 HD2 PRO 18 HD2 PRO 18 2.627 7.837 2.692 109 HD3 PRO 18 HD1 PRO 18 2.452 8.510 1.057 110 H TRP 19 HN TRP 19 7.374 9.792 3.800 111 HA TRP 19 HA TRP 19 8.426 7.389 4.769 112 HB2 TRP 19 HB2 TRP 19 9.556 9.649 4.718 113 HB3 TRP 19 HB1 TRP 19 8.546 10.121 6.075 114 HD1 TRP 19 HD1 TRP 19 11.578 7.976 5.198 115 HE1 TRP 19 HE1 TRP 19 12.773 7.310 7.359 116 HE3 TRP 19 3HE TRP 19 8.156 9.685 8.482 117 HZ2 TRP 19 HZ2 TRP 19 12.314 7.511 10.164 118 HZ3 TRP 19 HZ3 TRP 19 8.576 9.435 10.930 119 HH2 TRP 19 2HH TRP 19 10.620 8.361 11.736 120 HA PRO 20 HA PRO 20 9.249 6.342 6.311 121 HB2 PRO 20 HB2 PRO 20 9.065 4.261 7.988 122 HB3 PRO 20 HB1 PRO 20 9.452 5.892 8.544 123 HG2 PRO 20 HG2 PRO 20 6.992 4.333 8.936 124 HG3 PRO 20 HG1 PRO 20 7.575 5.754 9.813 125 HD2 PRO 20 HD2 PRO 20 5.630 5.616 7.656 126 HD3 PRO 20 HD1 PRO 20 6.068 7.003 8.672 127 H LEU 21 HN LEU 21 6.476 5.677 4.936 128 HA LEU 21 HA LEU 21 6.666 2.856 4.554 129 HB2 LEU 21 HB2 LEU 21 5.027 5.032 3.286 130 HB3 LEU 21 HB1 LEU 21 4.902 3.351 2.812 131 HG LEU 21 HG LEU 21 4.364 4.289 5.639 132 HD11 LEU 21 HD11 LEU 21 1.997 4.160 5.062 133 HD12 LEU 21 HD12 LEU 21 2.419 3.808 3.386 134 HD13 LEU 21 HD13 LEU 21 2.803 5.388 4.081 135 HD21 LEU 21 HD21 LEU 21 3.196 2.168 5.787 136 HD22 LEU 21 HD22 LEU 21 4.884 1.905 5.315 137 HD23 LEU 21 HD23 LEU 21 3.594 1.838 4.103 138 H GLY 22 HN GLY 22 7.093 5.714 2.458 139 HA2 GLY 22 HA2 GLY 22 8.443 6.004 0.607 140 HA3 GLY 22 HA1 GLY 22 9.336 4.561 1.099 141 H HIS 23 HN HIS 23 9.382 3.665 -1.021 142 HA HIS 23 HA HIS 23 6.838 3.142 -2.275 143 HB2 HIS 23 HB2 HIS 23 8.910 3.586 -3.674 144 HB3 HIS 23 HB1 HIS 23 9.577 2.078 -3.066 145 HD1 HIS 23 HD1 HIS 23 7.411 3.437 -5.758 146 HD2 HIS 23 HD2 HIS 23 8.148 -0.185 -3.898 147 HE1 HIS 23 HE1 HIS 23 6.425 1.685 -7.261 148 H GLN 24 HN GLN 24 5.620 1.599 -1.644 149 HA GLN 24 HA GLN 24 6.802 -0.695 -0.232 150 HB2 GLN 24 HB2 GLN 24 4.275 0.821 0.307 151 HB3 GLN 24 HB1 GLN 24 4.619 -0.746 1.016 152 HG2 GLN 24 HG2 GLN 24 6.451 1.606 1.344 153 HG3 GLN 24 HG1 GLN 24 5.099 1.272 2.430 154 HE21 GLN 24 1HE2 GLN 24 5.230 -0.394 3.781 155 HE22 GLN 24 2HE2 GLN 24 6.674 -1.278 4.076 156 H CYS 25 HN CYS 25 6.057 -2.688 -0.731 157 HA CYS 25 HA CYS 25 3.954 -2.925 -2.750 158 HB2 CYS 25 HB2 CYS 25 6.265 -4.757 -2.079 159 HB3 CYS 25 HB1 CYS 25 4.925 -5.252 -3.106 160 H PHE 26 HN PHE 26 2.277 -4.417 -2.363 161 HA PHE 26 HA PHE 26 2.067 -5.198 0.487 162 HB2 PHE 26 HB2 PHE 26 -0.165 -4.108 -1.197 163 HB3 PHE 26 HB1 PHE 26 -0.207 -4.433 0.526 164 HD1 PHE 26 HD1 PHE 26 0.155 -1.980 -1.905 165 HD2 PHE 26 HD2 PHE 26 1.666 -3.155 1.900 166 HE1 PHE 26 HE1 PHE 26 0.915 0.256 -1.527 167 HE2 PHE 26 HE2 PHE 26 2.424 -0.846 2.289 168 HZ PHE 26 HZ PHE 26 2.035 0.866 0.527 169 HA PRO 27 HA PRO 27 1.144 -9.086 -1.755 170 HB2 PRO 27 HB2 PRO 27 1.455 -10.209 0.956 171 HB3 PRO 27 HB1 PRO 27 2.290 -10.647 -0.537 172 HG2 PRO 27 HG2 PRO 27 3.554 -9.321 1.414 173 HG3 PRO 27 HG1 PRO 27 3.876 -8.975 -0.295 174 HD2 PRO 27 HD2 PRO 27 2.181 -7.462 1.657 175 HD3 PRO 27 HD1 PRO 27 3.334 -6.850 0.449 176 H ASP 28 HN ASP 28 -0.344 -7.672 1.024 177 HA ASP 28 HA ASP 28 -2.786 -9.213 0.437 178 HB2 ASP 28 HB2 ASP 28 -3.431 -9.335 2.758 179 HB3 ASP 28 HB1 ASP 28 -1.774 -9.899 2.659 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 -1.491 -6.511 -0.267 2 HA2 GLY 1 HA2 GLY 1 -2.511 -4.494 -0.713 3 HA3 GLY 1 HA1 GLY 1 -4.008 -5.164 -0.101 4 H PHE 2 HN PHE 2 -3.597 -2.625 0.456 5 HA PHE 2 HA PHE 2 -3.367 -2.596 3.346 6 HB2 PHE 2 HB2 PHE 2 -1.051 -2.271 2.738 7 HB3 PHE 2 HB1 PHE 2 -1.487 -1.051 1.561 8 HD1 PHE 2 HD1 PHE 2 -1.187 1.111 2.117 9 HD2 PHE 2 HD2 PHE 2 -1.816 -1.722 5.205 10 HE1 PHE 2 HE1 PHE 2 -0.823 2.870 3.761 11 HE2 PHE 2 HE2 PHE 2 -1.457 0.038 6.903 12 HZ PHE 2 HZ PHE 2 -0.957 2.343 6.185 13 H CYS 3 HN CYS 3 -4.772 -1.042 4.192 14 HA CYS 3 HA CYS 3 -6.049 0.573 2.189 15 HB2 CYS 3 HB2 CYS 3 -7.119 -0.376 4.850 16 HB3 CYS 3 HB1 CYS 3 -7.991 0.639 3.708 17 H TRP 4 HN TRP 4 -5.949 2.604 2.310 18 HA TRP 4 HA TRP 4 -4.915 3.987 4.646 19 HB2 TRP 4 HB2 TRP 4 -2.856 3.435 3.714 20 HB3 TRP 4 HB1 TRP 4 -3.443 3.583 2.064 21 HD1 TRP 4 HD1 TRP 4 -2.427 5.798 5.039 22 HE1 TRP 4 HE1 TRP 4 -1.737 8.072 4.110 23 HE3 TRP 4 3HE TRP 4 -3.500 4.961 0.154 24 HZ2 TRP 4 HZ2 TRP 4 -1.674 9.312 1.675 25 HZ3 TRP 4 HZ3 TRP 4 -3.087 6.699 -1.467 26 HH2 TRP 4 2HH TRP 4 -2.170 8.900 -0.762 27 H HIS 5 HN HIS 5 -5.148 6.319 4.529 28 HA HIS 5 HA HIS 5 -6.852 7.806 4.528 29 HB2 HIS 5 HB2 HIS 5 -5.191 8.122 2.108 30 HB3 HIS 5 HB1 HIS 5 -6.555 9.229 2.328 31 HD1 HIS 5 HD1 HIS 5 -3.770 10.467 2.404 32 HD2 HIS 5 HD2 HIS 5 -5.646 8.924 5.775 33 HE1 HIS 5 HE1 HIS 5 -2.706 11.601 4.382 34 H HIS 6 HN HIS 6 -8.426 5.968 4.432 35 HA HIS 6 HA HIS 6 -10.551 5.402 4.024 36 HB2 HIS 6 HB2 HIS 6 -10.669 8.037 2.541 37 HB3 HIS 6 HB1 HIS 6 -12.070 7.025 2.853 38 HD1 HIS 6 HD1 HIS 6 -11.736 9.966 3.984 39 HD2 HIS 6 HD2 HIS 6 -10.954 6.456 6.061 40 HE1 HIS 6 HE1 HIS 6 -12.028 10.519 6.414 41 H SER 7 HN SER 7 -8.312 5.100 1.910 42 HA SER 7 HA SER 7 -10.013 3.981 -0.190 43 HB2 SER 7 HB2 SER 7 -7.223 5.112 -0.503 44 HB3 SER 7 HB1 SER 7 -8.378 4.706 -1.778 45 HG SER 7 HG SER 7 -8.691 6.718 0.183 46 H CYS 8 HN CYS 8 -8.141 2.395 -1.406 47 HA CYS 8 HA CYS 8 -6.380 1.264 0.516 48 HB2 CYS 8 HB2 CYS 8 -8.695 0.311 1.054 49 HB3 CYS 8 HB1 CYS 8 -8.606 -0.430 -0.546 50 H VAL 9 HN VAL 9 -4.931 -0.015 -0.375 51 HA VAL 9 HA VAL 9 -5.002 -0.104 -3.266 52 HB VAL 9 HB VAL 9 -2.501 -0.365 -3.210 53 HG11 VAL 9 HG11 VAL 9 -3.578 2.153 -1.957 54 HG12 VAL 9 HG12 VAL 9 -3.415 1.838 -3.702 55 HG13 VAL 9 3HG1 VAL 9 -1.978 1.983 -2.665 56 HG21 VAL 9 HG21 VAL 9 -2.733 0.493 -0.333 57 HG22 VAL 9 HG22 VAL 9 -1.257 0.417 -1.279 58 HG23 VAL 9 HG23 VAL 9 -2.130 -1.077 -0.915 59 HA PRO 10 HA PRO 10 -5.688 -4.360 -2.722 60 HB2 PRO 10 HB2 PRO 10 -5.392 -5.148 -5.297 61 HB3 PRO 10 HB1 PRO 10 -6.807 -4.269 -4.705 62 HG2 PRO 10 HG2 PRO 10 -4.452 -3.273 -6.231 63 HG3 PRO 10 HG1 PRO 10 -6.155 -2.806 -6.366 64 HD2 PRO 10 HD2 PRO 10 -4.247 -1.349 -5.036 65 HD3 PRO 10 HD1 PRO 10 -5.976 -1.266 -4.670 66 H SER 11 HN SER 11 -4.772 -6.507 -3.177 67 HA SER 11 HA SER 11 -2.063 -6.649 -2.454 68 HB2 SER 11 HB2 SER 11 -3.631 -8.914 -3.697 69 HB3 SER 11 HB1 SER 11 -2.377 -8.929 -2.438 70 HG SER 11 HG SER 11 -4.360 -9.258 -1.535 71 H GLY 12 HN GLY 12 -0.308 -6.670 -3.734 72 HA2 GLY 12 HA2 GLY 12 0.843 -7.354 -5.745 73 HA3 GLY 12 HA1 GLY 12 -0.675 -7.156 -6.618 74 H THR 13 HN THR 13 -0.752 -4.665 -4.649 75 HA THR 13 HA THR 13 0.368 -2.881 -6.606 76 HB THR 13 HB THR 13 -1.238 -2.445 -4.124 77 HG1 THR 13 HG1 THR 13 -1.855 -3.085 -6.655 78 HG21 THR 13 HG21 THR 13 -0.406 -0.392 -6.183 79 HG22 THR 13 HG22 THR 13 0.014 -0.413 -4.461 80 HG23 THR 13 HG23 THR 13 -1.646 -0.115 -4.962 81 H CYS 14 HN CYS 14 1.640 -1.248 -6.020 82 HA CYS 14 HA CYS 14 3.320 -1.281 -3.672 83 HB2 CYS 14 HB2 CYS 14 4.429 -1.436 -6.502 84 HB3 CYS 14 HB1 CYS 14 5.375 -1.123 -5.061 85 H ALA 15 HN ALA 15 3.552 0.835 -3.153 86 HA ALA 15 HA ALA 15 3.298 2.795 -5.289 87 HB1 ALA 15 HB1 ALA 15 1.537 4.054 -4.173 88 HB2 ALA 15 HB2 ALA 15 1.463 2.845 -2.894 89 HB3 ALA 15 HB3 ALA 15 0.994 2.416 -4.539 90 H ASP 16 HN ASP 16 3.836 4.930 -4.637 91 HA ASP 16 HA ASP 16 5.958 4.961 -2.666 92 HB2 ASP 16 HB2 ASP 16 6.383 6.005 -4.829 93 HB3 ASP 16 HB1 ASP 16 4.993 7.057 -4.613 94 H PHE 17 HN PHE 17 5.264 5.150 -0.704 95 HA PHE 17 HA PHE 17 3.246 7.149 -0.060 96 HB2 PHE 17 HB2 PHE 17 4.392 4.864 1.588 97 HB3 PHE 17 HB1 PHE 17 3.310 6.045 2.212 98 HD1 PHE 17 HD1 PHE 17 1.000 5.844 2.066 99 HD2 PHE 17 HD2 PHE 17 3.416 3.303 -0.381 100 HE1 PHE 17 HE1 PHE 17 -0.953 4.541 1.450 101 HE2 PHE 17 HE2 PHE 17 1.479 2.048 -0.977 102 HZ PHE 17 HZ PHE 17 -0.736 2.635 -0.082 103 HA PRO 18 HA PRO 18 6.318 9.831 1.721 104 HB2 PRO 18 HB2 PRO 18 4.771 9.946 4.243 105 HB3 PRO 18 HB1 PRO 18 5.205 11.252 3.135 106 HG2 PRO 18 HG2 PRO 18 2.705 10.362 3.263 107 HG3 PRO 18 HG1 PRO 18 3.432 10.817 1.712 108 HD2 PRO 18 HD2 PRO 18 3.032 8.064 2.863 109 HD3 PRO 18 HD1 PRO 18 2.750 8.649 1.212 110 H TRP 19 HN TRP 19 7.890 10.033 3.419 111 HA TRP 19 HA TRP 19 9.035 7.660 4.372 112 HB2 TRP 19 HB2 TRP 19 10.201 9.873 4.017 113 HB3 TRP 19 HB1 TRP 19 9.397 10.469 5.459 114 HD1 TRP 19 HD1 TRP 19 12.262 8.234 4.332 115 HE1 TRP 19 HE1 TRP 19 13.707 7.640 6.374 116 HE3 TRP 19 3HE TRP 19 9.286 10.109 7.962 117 HZ2 TRP 19 HZ2 TRP 19 13.605 7.944 9.173 118 HZ3 TRP 19 HZ3 TRP 19 10.014 9.935 10.337 119 HH2 TRP 19 2HH TRP 19 12.133 8.866 10.915 120 HA PRO 20 HA PRO 20 9.990 6.614 5.803 121 HB2 PRO 20 HB2 PRO 20 10.095 4.739 7.672 122 HB3 PRO 20 HB1 PRO 20 10.498 6.418 8.049 123 HG2 PRO 20 HG2 PRO 20 8.096 4.848 8.788 124 HG3 PRO 20 HG1 PRO 20 8.837 6.226 9.616 125 HD2 PRO 20 HD2 PRO 20 6.593 6.234 7.808 126 HD3 PRO 20 HD1 PRO 20 7.331 7.614 8.642 127 H LEU 21 HN LEU 21 7.107 6.024 4.816 128 HA LEU 21 HA LEU 21 7.031 3.146 4.786 129 HB2 LEU 21 HB2 LEU 21 5.364 5.281 3.474 130 HB3 LEU 21 HB1 LEU 21 5.071 3.567 3.262 131 HG LEU 21 HG LEU 21 4.996 4.911 5.967 132 HD11 LEU 21 HD11 LEU 21 3.297 5.910 4.498 133 HD12 LEU 21 HD12 LEU 21 2.564 4.883 5.730 134 HD13 LEU 21 HD13 LEU 21 2.724 4.296 4.074 135 HD21 LEU 21 HD21 LEU 21 3.900 2.327 4.915 136 HD22 LEU 21 HD22 LEU 21 3.738 2.919 6.571 137 HD23 LEU 21 HD23 LEU 21 5.332 2.476 5.938 138 H GLY 22 HN GLY 22 7.284 5.729 2.347 139 HA2 GLY 22 HA2 GLY 22 8.463 5.814 0.411 140 HA3 GLY 22 HA1 GLY 22 9.380 4.407 0.949 141 H HIS 23 HN HIS 23 9.336 3.298 -0.949 142 HA HIS 23 HA HIS 23 6.831 2.866 -2.310 143 HB2 HIS 23 HB2 HIS 23 9.040 3.123 -3.545 144 HB3 HIS 23 HB1 HIS 23 9.517 1.579 -2.858 145 HD1 HIS 23 HD1 HIS 23 7.854 3.055 -5.760 146 HD2 HIS 23 HD2 HIS 23 7.868 -0.545 -3.742 147 HE1 HIS 23 HE1 HIS 23 6.837 1.399 -7.341 148 H GLN 24 HN GLN 24 5.555 1.708 -1.130 149 HA GLN 24 HA GLN 24 6.491 -0.691 0.263 150 HB2 GLN 24 HB2 GLN 24 3.987 0.949 0.431 151 HB3 GLN 24 HB1 GLN 24 4.190 -0.581 1.267 152 HG2 GLN 24 HG2 GLN 24 6.003 1.785 1.656 153 HG3 GLN 24 HG1 GLN 24 4.588 1.431 2.658 154 HE21 GLN 24 1HE2 GLN 24 4.640 -0.329 3.986 155 HE22 GLN 24 2HE2 GLN 24 6.116 -1.102 4.398 156 H CYS 25 HN CYS 25 5.942 -2.673 -0.410 157 HA CYS 25 HA CYS 25 3.962 -2.902 -2.522 158 HB2 CYS 25 HB2 CYS 25 6.342 -4.614 -1.814 159 HB3 CYS 25 HB1 CYS 25 5.047 -5.206 -2.852 160 H PHE 26 HN PHE 26 2.305 -4.407 -2.313 161 HA PHE 26 HA PHE 26 1.956 -5.339 0.451 162 HB2 PHE 26 HB2 PHE 26 -0.227 -4.160 -1.258 163 HB3 PHE 26 HB1 PHE 26 -0.319 -4.590 0.443 164 HD1 PHE 26 HD1 PHE 26 0.264 -2.011 -1.888 165 HD2 PHE 26 HD2 PHE 26 1.291 -3.351 2.025 166 HE1 PHE 26 HE1 PHE 26 0.951 0.214 -1.320 167 HE2 PHE 26 HE2 PHE 26 1.969 -1.064 2.610 168 HZ PHE 26 HZ PHE 26 1.796 0.725 0.918 169 HA PRO 27 HA PRO 27 1.229 -9.131 -2.076 170 HB2 PRO 27 HB2 PRO 27 1.488 -10.308 0.624 171 HB3 PRO 27 HB1 PRO 27 2.322 -10.743 -0.870 172 HG2 PRO 27 HG2 PRO 27 3.612 -9.472 1.077 173 HG3 PRO 27 HG1 PRO 27 3.905 -9.074 -0.626 174 HD2 PRO 27 HD2 PRO 27 2.262 -7.628 1.402 175 HD3 PRO 27 HD1 PRO 27 3.385 -6.971 0.190 176 H ASP 28 HN ASP 28 -0.298 -7.824 0.691 177 HA ASP 28 HA ASP 28 -2.749 -9.318 0.088 178 HB2 ASP 28 HB2 ASP 28 -3.281 -9.558 2.456 179 HB3 ASP 28 HB1 ASP 28 -1.712 -10.277 2.134 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 -1.623 -6.438 0.010 2 HA2 GLY 1 HA2 GLY 1 -2.795 -4.540 -0.636 3 HA3 GLY 1 HA1 GLY 1 -4.232 -5.195 0.135 4 H PHE 2 HN PHE 2 -3.450 -2.532 0.352 5 HA PHE 2 HA PHE 2 -3.078 -2.359 3.251 6 HB2 PHE 2 HB2 PHE 2 -0.847 -2.032 2.336 7 HB3 PHE 2 HB1 PHE 2 -1.451 -0.826 1.217 8 HD1 PHE 2 HD1 PHE 2 -1.627 -1.416 4.897 9 HD2 PHE 2 HD2 PHE 2 -0.819 1.305 1.735 10 HE1 PHE 2 HE1 PHE 2 -1.087 0.315 6.528 11 HE2 PHE 2 HE2 PHE 2 -0.270 3.048 3.363 12 HZ PHE 2 HZ PHE 2 -0.399 2.561 5.773 13 H CYS 3 HN CYS 3 -4.575 -1.006 4.110 14 HA CYS 3 HA CYS 3 -6.011 0.598 2.193 15 HB2 CYS 3 HB2 CYS 3 -6.943 -0.434 4.882 16 HB3 CYS 3 HB1 CYS 3 -7.890 0.549 3.772 17 H TRP 4 HN TRP 4 -5.813 2.601 2.244 18 HA TRP 4 HA TRP 4 -4.968 4.095 4.570 19 HB2 TRP 4 HB2 TRP 4 -2.823 3.387 3.874 20 HB3 TRP 4 HB1 TRP 4 -3.236 3.515 2.173 21 HD1 TRP 4 HD1 TRP 4 -2.240 5.684 5.164 22 HE1 TRP 4 HE1 TRP 4 -1.398 7.940 4.261 23 HE3 TRP 4 3HE TRP 4 -3.310 4.988 0.257 24 HZ2 TRP 4 HZ2 TRP 4 -1.230 9.231 1.798 25 HZ3 TRP 4 HZ3 TRP 4 -2.790 6.725 -1.337 26 HH2 TRP 4 2HH TRP 4 -1.755 8.858 -0.599 27 H HIS 5 HN HIS 5 -5.112 6.482 4.169 28 HA HIS 5 HA HIS 5 -6.165 8.291 3.532 29 HB2 HIS 5 HB2 HIS 5 -4.548 7.606 1.600 30 HB3 HIS 5 HB1 HIS 5 -6.048 7.409 0.687 31 HD1 HIS 5 HD1 HIS 5 -6.509 9.510 -0.611 32 HD2 HIS 5 HD2 HIS 5 -4.749 10.163 3.064 33 HE1 HIS 5 HE1 HIS 5 -6.238 12.020 -0.436 34 H HIS 6 HN HIS 6 -7.790 5.913 4.038 35 HA HIS 6 HA HIS 6 -9.947 5.337 4.153 36 HB2 HIS 6 HB2 HIS 6 -10.540 7.899 2.623 37 HB3 HIS 6 HB1 HIS 6 -11.761 6.867 3.354 38 HD1 HIS 6 HD1 HIS 6 -12.241 7.260 5.862 39 HD2 HIS 6 HD2 HIS 6 -8.878 9.283 4.493 40 HE1 HIS 6 HE1 HIS 6 -11.565 8.817 7.709 41 H SER 7 HN SER 7 -8.168 5.180 1.586 42 HA SER 7 HA SER 7 -10.150 3.745 -0.025 43 HB2 SER 7 HB2 SER 7 -7.511 5.009 -0.862 44 HB3 SER 7 HB1 SER 7 -8.643 4.193 -1.936 45 HG SER 7 HG SER 7 -10.125 5.921 -0.852 46 H CYS 8 HN CYS 8 -8.290 2.131 -1.428 47 HA CYS 8 HA CYS 8 -6.395 1.150 0.470 48 HB2 CYS 8 HB2 CYS 8 -8.673 0.075 1.033 49 HB3 CYS 8 HB1 CYS 8 -8.525 -0.720 -0.534 50 H VAL 9 HN VAL 9 -4.896 -0.099 -0.442 51 HA VAL 9 HA VAL 9 -5.003 -0.134 -3.338 52 HB VAL 9 HB VAL 9 -2.485 -0.310 -3.345 53 HG11 VAL 9 HG11 VAL 9 -2.037 2.023 -2.763 54 HG12 VAL 9 HG12 VAL 9 -3.642 2.125 -2.027 55 HG13 VAL 9 3HG1 VAL 9 -3.476 1.831 -3.769 56 HG21 VAL 9 HG21 VAL 9 -2.125 -1.104 -1.048 57 HG22 VAL 9 HG22 VAL 9 -2.655 0.493 -0.450 58 HG23 VAL 9 HG23 VAL 9 -1.208 0.352 -1.432 59 HA PRO 10 HA PRO 10 -5.783 -4.429 -3.104 60 HB2 PRO 10 HB2 PRO 10 -4.445 -4.629 -5.704 61 HB3 PRO 10 HB1 PRO 10 -6.108 -5.002 -5.274 62 HG2 PRO 10 HG2 PRO 10 -5.314 -2.823 -6.702 63 HG3 PRO 10 HG1 PRO 10 -6.825 -2.911 -5.787 64 HD2 PRO 10 HD2 PRO 10 -4.377 -1.396 -5.255 65 HD3 PRO 10 HD1 PRO 10 -6.018 -1.175 -4.618 66 H SER 11 HN SER 11 -4.732 -6.534 -3.239 67 HA SER 11 HA SER 11 -2.086 -6.511 -2.275 68 HB2 SER 11 HB2 SER 11 -2.421 -9.025 -2.556 69 HB3 SER 11 HB1 SER 11 -3.510 -8.197 -1.453 70 HG SER 11 HG SER 11 -4.509 -9.669 -3.005 71 H GLY 12 HN GLY 12 -0.257 -6.659 -3.415 72 HA2 GLY 12 HA2 GLY 12 1.029 -7.407 -5.278 73 HA3 GLY 12 HA1 GLY 12 -0.443 -7.415 -6.242 74 H THR 13 HN THR 13 -0.583 -4.731 -4.409 75 HA THR 13 HA THR 13 0.203 -3.065 -6.626 76 HB THR 13 HB THR 13 -1.029 -2.321 -3.982 77 HG1 THR 13 HG1 THR 13 -2.527 -3.451 -4.880 78 HG21 THR 13 HG21 THR 13 -0.864 -0.768 -6.581 79 HG22 THR 13 HG22 THR 13 -0.098 -0.351 -5.036 80 HG23 THR 13 HG23 THR 13 -1.848 -0.303 -5.195 81 H CYS 14 HN CYS 14 1.520 -1.260 -6.262 82 HA CYS 14 HA CYS 14 3.315 -1.212 -3.983 83 HB2 CYS 14 HB2 CYS 14 4.264 -1.173 -6.879 84 HB3 CYS 14 HB1 CYS 14 5.271 -0.898 -5.473 85 H ALA 15 HN ALA 15 3.535 0.880 -3.343 86 HA ALA 15 HA ALA 15 2.988 3.014 -5.236 87 HB1 ALA 15 HB1 ALA 15 1.241 4.005 -3.857 88 HB2 ALA 15 HB2 ALA 15 1.330 2.642 -2.745 89 HB3 ALA 15 HB3 ALA 15 0.766 2.394 -4.397 90 H ASP 16 HN ASP 16 3.676 5.122 -4.430 91 HA ASP 16 HA ASP 16 5.608 4.839 -2.348 92 HB2 ASP 16 HB2 ASP 16 6.482 6.900 -3.208 93 HB3 ASP 16 HB1 ASP 16 6.423 5.694 -4.488 94 H PHE 17 HN PHE 17 5.226 5.414 -0.508 95 HA PHE 17 HA PHE 17 3.186 7.431 0.082 96 HB2 PHE 17 HB2 PHE 17 4.056 4.981 1.607 97 HB3 PHE 17 HB1 PHE 17 2.951 6.110 2.283 98 HD1 PHE 17 HD1 PHE 17 1.319 6.745 -0.170 99 HD2 PHE 17 HD2 PHE 17 2.665 3.027 1.385 100 HE1 PHE 17 HE1 PHE 17 -0.569 5.613 -1.230 101 HE2 PHE 17 HE2 PHE 17 0.775 1.913 0.336 102 HZ PHE 17 HZ PHE 17 -0.844 3.191 -0.983 103 HA PRO 18 HA PRO 18 6.241 9.807 2.240 104 HB2 PRO 18 HB2 PRO 18 4.708 9.641 4.763 105 HB3 PRO 18 HB1 PRO 18 5.192 11.066 3.841 106 HG2 PRO 18 HG2 PRO 18 2.653 10.237 3.879 107 HG3 PRO 18 HG1 PRO 18 3.381 10.926 2.420 108 HD2 PRO 18 HD2 PRO 18 2.809 8.066 3.080 109 HD3 PRO 18 HD1 PRO 18 2.676 8.901 1.531 110 H TRP 19 HN TRP 19 7.820 9.766 3.936 111 HA TRP 19 HA TRP 19 8.924 7.269 4.589 112 HB2 TRP 19 HB2 TRP 19 10.089 9.539 4.461 113 HB3 TRP 19 HB1 TRP 19 9.370 9.903 6.021 114 HD1 TRP 19 HD1 TRP 19 12.107 7.828 4.391 115 HE1 TRP 19 HE1 TRP 19 13.688 6.946 6.204 116 HE3 TRP 19 3HE TRP 19 9.438 9.210 8.449 117 HZ2 TRP 19 HZ2 TRP 19 13.792 6.859 9.032 118 HZ3 TRP 19 HZ3 TRP 19 10.332 8.703 10.718 119 HH2 TRP 19 2HH TRP 19 12.466 7.547 10.987 120 HA PRO 20 HA PRO 20 9.905 6.109 5.970 121 HB2 PRO 20 HB2 PRO 20 9.865 3.955 7.540 122 HB3 PRO 20 HB1 PRO 20 10.363 5.539 8.142 123 HG2 PRO 20 HG2 PRO 20 7.889 4.022 8.684 124 HG3 PRO 20 HG1 PRO 20 8.663 5.288 9.646 125 HD2 PRO 20 HD2 PRO 20 6.446 5.534 7.810 126 HD3 PRO 20 HD1 PRO 20 7.181 6.795 8.818 127 H LEU 21 HN LEU 21 6.937 5.648 4.874 128 HA LEU 21 HA LEU 21 6.988 2.846 4.367 129 HB2 LEU 21 HB2 LEU 21 5.282 5.115 3.366 130 HB3 LEU 21 HB1 LEU 21 5.050 3.446 2.881 131 HG LEU 21 HG LEU 21 4.876 4.338 5.768 132 HD11 LEU 21 HD11 LEU 21 3.173 5.508 4.441 133 HD12 LEU 21 HD12 LEU 21 2.450 4.268 5.471 134 HD13 LEU 21 HD13 LEU 21 2.670 3.966 3.746 135 HD21 LEU 21 HD21 LEU 21 3.677 2.248 6.018 136 HD22 LEU 21 HD22 LEU 21 5.287 1.951 5.334 137 HD23 LEU 21 HD23 LEU 21 3.856 1.953 4.291 138 H GLY 22 HN GLY 22 7.270 5.792 2.358 139 HA2 GLY 22 HA2 GLY 22 8.412 6.109 0.377 140 HA3 GLY 22 HA1 GLY 22 9.377 4.690 0.787 141 H HIS 23 HN HIS 23 9.289 3.737 -1.276 142 HA HIS 23 HA HIS 23 6.649 3.175 -2.344 143 HB2 HIS 23 HB2 HIS 23 8.673 3.762 -3.836 144 HB3 HIS 23 HB1 HIS 23 9.281 2.161 -3.444 145 HD1 HIS 23 HD1 HIS 23 6.950 3.943 -5.726 146 HD2 HIS 23 HD2 HIS 23 7.728 0.080 -4.461 147 HE1 HIS 23 HE1 HIS 23 5.736 2.451 -7.327 148 H GLN 24 HN GLN 24 5.577 1.677 -1.414 149 HA GLN 24 HA GLN 24 6.936 -0.722 -0.355 150 HB2 GLN 24 HB2 GLN 24 4.353 0.609 0.369 151 HB3 GLN 24 HB1 GLN 24 4.792 -0.949 1.003 152 HG2 GLN 24 HG2 GLN 24 6.237 1.654 1.447 153 HG3 GLN 24 HG1 GLN 24 5.138 0.875 2.575 154 HE21 GLN 24 1HE2 GLN 24 6.646 0.712 4.170 155 HE22 GLN 24 2HE2 GLN 24 7.997 -0.364 4.097 156 H CYS 25 HN CYS 25 5.911 -2.739 -0.704 157 HA CYS 25 HA CYS 25 3.814 -2.792 -2.735 158 HB2 CYS 25 HB2 CYS 25 6.117 -4.723 -2.328 159 HB3 CYS 25 HB1 CYS 25 4.753 -5.038 -3.397 160 H PHE 26 HN PHE 26 2.155 -4.314 -2.388 161 HA PHE 26 HA PHE 26 1.955 -4.976 0.486 162 HB2 PHE 26 HB2 PHE 26 -0.297 -3.957 -1.239 163 HB3 PHE 26 HB1 PHE 26 -0.276 -4.115 0.517 164 HD1 PHE 26 HD1 PHE 26 1.478 -2.760 1.781 165 HD2 PHE 26 HD2 PHE 26 0.328 -1.947 -2.240 166 HE1 PHE 26 HE1 PHE 26 2.440 -0.513 1.942 167 HE2 PHE 26 HE2 PHE 26 1.289 0.277 -2.070 168 HZ PHE 26 HZ PHE 26 2.356 0.992 0.004 169 HA PRO 27 HA PRO 27 1.214 -8.953 -1.635 170 HB2 PRO 27 HB2 PRO 27 1.513 -9.938 1.135 171 HB3 PRO 27 HB1 PRO 27 2.352 -10.452 -0.331 172 HG2 PRO 27 HG2 PRO 27 3.614 -9.008 1.514 173 HG3 PRO 27 HG1 PRO 27 3.895 -8.723 -0.212 174 HD2 PRO 27 HD2 PRO 27 2.200 -7.171 1.708 175 HD3 PRO 27 HD1 PRO 27 3.308 -6.586 0.447 176 H ASP 28 HN ASP 28 -0.368 -7.621 1.184 177 HA ASP 28 HA ASP 28 -2.730 -9.284 0.560 178 HB2 ASP 28 HB2 ASP 28 -1.961 -8.289 3.322 179 HB3 ASP 28 HB1 ASP 28 -3.410 -9.176 2.916 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 -1.404 -6.472 -0.005 2 HA2 GLY 1 HA2 GLY 1 -2.592 -4.560 -0.638 3 HA3 GLY 1 HA1 GLY 1 -4.068 -5.311 -0.053 4 H PHE 2 HN PHE 2 -3.605 -2.685 0.477 5 HA PHE 2 HA PHE 2 -3.538 -2.685 3.373 6 HB2 PHE 2 HB2 PHE 2 -1.200 -2.404 2.924 7 HB3 PHE 2 HB1 PHE 2 -1.522 -1.210 1.685 8 HD1 PHE 2 HD1 PHE 2 -0.939 0.909 2.225 9 HD2 PHE 2 HD2 PHE 2 -2.310 -1.667 5.319 10 HE1 PHE 2 HE1 PHE 2 -0.575 2.678 3.818 11 HE2 PHE 2 HE2 PHE 2 -1.952 0.122 6.965 12 HZ PHE 2 HZ PHE 2 -1.071 2.309 6.231 13 H CYS 3 HN CYS 3 -5.033 -1.246 4.126 14 HA CYS 3 HA CYS 3 -6.167 0.554 2.180 15 HB2 CYS 3 HB2 CYS 3 -7.367 -0.540 4.737 16 HB3 CYS 3 HB1 CYS 3 -8.177 0.537 3.610 17 H TRP 4 HN TRP 4 -5.973 2.579 2.466 18 HA TRP 4 HA TRP 4 -5.221 3.813 4.967 19 HB2 TRP 4 HB2 TRP 4 -3.064 3.082 4.394 20 HB3 TRP 4 HB1 TRP 4 -3.327 3.347 2.683 21 HD1 TRP 4 HD1 TRP 4 -2.359 5.205 5.885 22 HE1 TRP 4 HE1 TRP 4 -1.344 7.493 5.176 23 HE3 TRP 4 3HE TRP 4 -3.289 4.963 0.904 24 HZ2 TRP 4 HZ2 TRP 4 -1.037 8.936 2.849 25 HZ3 TRP 4 HZ3 TRP 4 -2.612 6.764 -0.540 26 HH2 TRP 4 2HH TRP 4 -1.481 8.778 0.384 27 H HIS 5 HN HIS 5 -5.221 6.211 4.811 28 HA HIS 5 HA HIS 5 -6.385 8.054 4.439 29 HB2 HIS 5 HB2 HIS 5 -4.391 7.857 2.737 30 HB3 HIS 5 HB1 HIS 5 -5.689 7.811 1.552 31 HD1 HIS 5 HD1 HIS 5 -5.846 10.131 0.589 32 HD2 HIS 5 HD2 HIS 5 -5.299 10.055 4.680 33 HE1 HIS 5 HE1 HIS 5 -5.929 12.555 1.325 34 H HIS 6 HN HIS 6 -8.113 5.852 4.349 35 HA HIS 6 HA HIS 6 -10.237 5.272 3.910 36 HB2 HIS 6 HB2 HIS 6 -10.396 8.001 2.619 37 HB3 HIS 6 HB1 HIS 6 -11.774 6.910 2.690 38 HD1 HIS 6 HD1 HIS 6 -13.250 7.351 4.627 39 HD2 HIS 6 HD2 HIS 6 -9.321 8.449 5.376 40 HE1 HIS 6 HE1 HIS 6 -13.235 8.360 6.953 41 H SER 7 HN SER 7 -7.986 5.487 1.631 42 HA SER 7 HA SER 7 -9.629 4.301 -0.477 43 HB2 SER 7 HB2 SER 7 -6.741 5.222 -0.512 44 HB3 SER 7 HB1 SER 7 -7.758 4.845 -1.906 45 HG SER 7 HG SER 7 -9.084 6.604 -0.562 46 H CYS 8 HN CYS 8 -8.007 2.441 -1.580 47 HA CYS 8 HA CYS 8 -6.400 1.224 0.429 48 HB2 CYS 8 HB2 CYS 8 -8.675 0.424 1.003 49 HB3 CYS 8 HB1 CYS 8 -8.761 -0.303 -0.617 50 H VAL 9 HN VAL 9 -4.931 0.104 -0.355 51 HA VAL 9 HA VAL 9 -4.922 -0.141 -3.234 52 HB VAL 9 HB VAL 9 -2.456 -0.355 -3.131 53 HG11 VAL 9 HG11 VAL 9 -1.955 2.000 -2.690 54 HG12 VAL 9 HG12 VAL 9 -3.475 2.185 -1.842 55 HG13 VAL 9 3HG1 VAL 9 -3.472 1.856 -3.590 56 HG21 VAL 9 HG21 VAL 9 -2.704 0.491 -0.243 57 HG22 VAL 9 HG22 VAL 9 -1.219 0.438 -1.183 58 HG23 VAL 9 HG23 VAL 9 -2.081 -1.063 -0.840 59 HA PRO 10 HA PRO 10 -5.684 -4.337 -2.386 60 HB2 PRO 10 HB2 PRO 10 -5.692 -5.245 -4.953 61 HB3 PRO 10 HB1 PRO 10 -7.022 -4.331 -4.236 62 HG2 PRO 10 HG2 PRO 10 -4.911 -3.439 -6.123 63 HG3 PRO 10 HG1 PRO 10 -6.590 -2.899 -5.975 64 HD2 PRO 10 HD2 PRO 10 -4.357 -1.556 -5.012 65 HD3 PRO 10 HD1 PRO 10 -6.009 -1.252 -4.475 66 H SER 11 HN SER 11 -4.821 -6.508 -2.814 67 HA SER 11 HA SER 11 -2.118 -6.658 -2.341 68 HB2 SER 11 HB2 SER 11 -2.608 -9.138 -2.927 69 HB3 SER 11 HB1 SER 11 -3.369 -8.398 -1.523 70 HG SER 11 HG SER 11 -4.581 -9.627 -3.338 71 H GLY 12 HN GLY 12 -0.393 -6.701 -3.570 72 HA2 GLY 12 HA2 GLY 12 0.808 -7.409 -5.517 73 HA3 GLY 12 HA1 GLY 12 -0.681 -7.259 -6.444 74 H THR 13 HN THR 13 -0.705 -4.710 -4.471 75 HA THR 13 HA THR 13 0.200 -2.918 -6.547 76 HB THR 13 HB THR 13 -1.101 -2.384 -3.893 77 HG1 THR 13 HG1 THR 13 -2.604 -3.339 -4.988 78 HG21 THR 13 HG21 THR 13 -0.065 -0.348 -4.621 79 HG22 THR 13 HG22 THR 13 -1.797 -0.191 -4.953 80 HG23 THR 13 HG23 THR 13 -0.671 -0.565 -6.260 81 H CYS 14 HN CYS 14 1.505 -1.173 -6.063 82 HA CYS 14 HA CYS 14 3.372 -1.166 -3.868 83 HB2 CYS 14 HB2 CYS 14 4.250 -1.422 -6.770 84 HB3 CYS 14 HB1 CYS 14 5.311 -1.008 -5.438 85 H ALA 15 HN ALA 15 3.712 0.959 -3.415 86 HA ALA 15 HA ALA 15 3.498 2.923 -5.529 87 HB1 ALA 15 HB1 ALA 15 1.746 4.239 -4.441 88 HB2 ALA 15 HB2 ALA 15 1.574 2.995 -3.202 89 HB3 ALA 15 HB3 ALA 15 1.149 2.636 -4.875 90 H ASP 16 HN ASP 16 4.075 5.065 -4.780 91 HA ASP 16 HA ASP 16 6.098 4.885 -2.698 92 HB2 ASP 16 HB2 ASP 16 6.806 5.817 -4.837 93 HB3 ASP 16 HB1 ASP 16 5.534 7.028 -4.756 94 H PHE 17 HN PHE 17 5.293 5.162 -0.797 95 HA PHE 17 HA PHE 17 3.343 7.280 -0.325 96 HB2 PHE 17 HB2 PHE 17 4.243 4.966 1.412 97 HB3 PHE 17 HB1 PHE 17 3.070 6.117 1.921 98 HD1 PHE 17 HD1 PHE 17 3.614 3.200 -0.200 99 HD2 PHE 17 HD2 PHE 17 0.835 6.235 0.898 100 HE1 PHE 17 HE1 PHE 17 1.857 1.961 -1.228 101 HE2 PHE 17 HE2 PHE 17 -0.958 4.948 -0.144 102 HZ PHE 17 HZ PHE 17 -0.462 2.803 -1.218 103 HA PRO 18 HA PRO 18 6.391 9.756 1.752 104 HB2 PRO 18 HB2 PRO 18 4.638 9.919 4.140 105 HB3 PRO 18 HB1 PRO 18 5.252 11.220 3.115 106 HG2 PRO 18 HG2 PRO 18 2.693 10.507 2.984 107 HG3 PRO 18 HG1 PRO 18 3.594 10.923 1.516 108 HD2 PRO 18 HD2 PRO 18 2.908 8.201 2.594 109 HD3 PRO 18 HD1 PRO 18 2.805 8.816 0.931 110 H TRP 19 HN TRP 19 7.905 9.736 3.448 111 HA TRP 19 HA TRP 19 8.766 7.275 4.480 112 HB2 TRP 19 HB2 TRP 19 10.118 9.396 4.121 113 HB3 TRP 19 HB1 TRP 19 9.358 10.041 5.564 114 HD1 TRP 19 HD1 TRP 19 11.957 7.490 4.437 115 HE1 TRP 19 HE1 TRP 19 13.356 6.786 6.461 116 HE3 TRP 19 3HE TRP 19 9.263 9.783 8.024 117 HZ2 TRP 19 HZ2 TRP 19 13.324 7.183 9.279 118 HZ3 TRP 19 HZ3 TRP 19 9.989 9.606 10.405 119 HH2 TRP 19 2HH TRP 19 11.982 8.320 11.001 120 HA PRO 20 HA PRO 20 9.663 6.288 6.097 121 HB2 PRO 20 HB2 PRO 20 9.422 4.348 7.891 122 HB3 PRO 20 HB1 PRO 20 9.913 5.979 8.361 123 HG2 PRO 20 HG2 PRO 20 7.315 4.603 8.760 124 HG3 PRO 20 HG1 PRO 20 8.090 5.849 9.749 125 HD2 PRO 20 HD2 PRO 20 6.047 6.209 7.782 126 HD3 PRO 20 HD1 PRO 20 6.905 7.469 8.686 127 H LEU 21 HN LEU 21 6.758 5.856 4.887 128 HA LEU 21 HA LEU 21 6.725 3.003 4.613 129 HB2 LEU 21 HB2 LEU 21 5.167 5.228 3.320 130 HB3 LEU 21 HB1 LEU 21 4.939 3.542 2.903 131 HG LEU 21 HG LEU 21 4.501 4.648 5.684 132 HD11 LEU 21 HD11 LEU 21 2.519 4.014 3.499 133 HD12 LEU 21 HD12 LEU 21 2.908 5.640 4.078 134 HD13 LEU 21 HD13 LEU 21 2.114 4.480 5.148 135 HD21 LEU 21 HD21 LEU 21 3.307 2.558 5.991 136 HD22 LEU 21 HD22 LEU 21 4.993 2.255 5.532 137 HD23 LEU 21 HD23 LEU 21 3.695 2.119 4.331 138 H GLY 22 HN GLY 22 7.213 5.748 2.434 139 HA2 GLY 22 HA2 GLY 22 8.495 5.919 0.521 140 HA3 GLY 22 HA1 GLY 22 9.351 4.464 1.038 141 H HIS 23 HN HIS 23 9.314 3.613 -1.084 142 HA HIS 23 HA HIS 23 6.742 3.075 -2.249 143 HB2 HIS 23 HB2 HIS 23 8.721 3.563 -3.716 144 HB3 HIS 23 HB1 HIS 23 9.480 2.096 -3.121 145 HD1 HIS 23 HD1 HIS 23 6.914 3.321 -5.561 146 HD2 HIS 23 HD2 HIS 23 8.390 -0.242 -4.058 147 HE1 HIS 23 HE1 HIS 23 6.050 1.532 -7.077 148 H GLN 24 HN GLN 24 5.604 1.763 -1.197 149 HA GLN 24 HA GLN 24 6.723 -0.670 0.017 150 HB2 GLN 24 HB2 GLN 24 4.187 0.873 0.482 151 HB3 GLN 24 HB1 GLN 24 4.486 -0.709 1.177 152 HG2 GLN 24 HG2 GLN 24 6.342 1.601 1.627 153 HG3 GLN 24 HG1 GLN 24 4.927 1.300 2.638 154 HE21 GLN 24 1HE2 GLN 24 4.926 -0.413 3.981 155 HE22 GLN 24 2HE2 GLN 24 6.352 -1.305 4.346 156 H CYS 25 HN CYS 25 5.874 -2.647 -0.458 157 HA CYS 25 HA CYS 25 3.865 -2.750 -2.564 158 HB2 CYS 25 HB2 CYS 25 6.203 -4.581 -2.031 159 HB3 CYS 25 HB1 CYS 25 4.865 -5.021 -3.090 160 H PHE 26 HN PHE 26 2.187 -4.182 -2.280 161 HA PHE 26 HA PHE 26 1.928 -5.119 0.507 162 HB2 PHE 26 HB2 PHE 26 -0.284 -4.027 -1.212 163 HB3 PHE 26 HB1 PHE 26 -0.338 -4.369 0.513 164 HD1 PHE 26 HD1 PHE 26 1.134 -3.009 2.039 165 HD2 PHE 26 HD2 PHE 26 0.386 -1.960 -2.015 166 HE1 PHE 26 HE1 PHE 26 1.880 -0.709 2.483 167 HE2 PHE 26 HE2 PHE 26 1.112 0.274 -1.593 168 HZ PHE 26 HZ PHE 26 1.869 0.942 0.659 169 HA PRO 27 HA PRO 27 1.324 -8.890 -2.025 170 HB2 PRO 27 HB2 PRO 27 1.594 -10.125 0.642 171 HB3 PRO 27 HB1 PRO 27 2.483 -10.465 -0.845 172 HG2 PRO 27 HG2 PRO 27 3.653 -9.191 1.185 173 HG3 PRO 27 HG1 PRO 27 3.988 -8.740 -0.496 174 HD2 PRO 27 HD2 PRO 27 2.204 -7.409 1.503 175 HD3 PRO 27 HD1 PRO 27 3.338 -6.684 0.338 176 H ASP 28 HN ASP 28 -0.208 -7.850 0.915 177 HA ASP 28 HA ASP 28 -2.556 -9.489 0.289 178 HB2 ASP 28 HB2 ASP 28 -1.538 -10.193 2.377 179 HB3 ASP 28 HB1 ASP 28 -1.493 -8.539 2.962 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -1.513 -6.516 -0.100 2 HA2 GLY 1 HA2 GLY 1 -2.675 -4.604 -0.738 3 HA3 GLY 1 HA1 GLY 1 -4.070 -5.203 0.146 4 H PHE 2 HN PHE 2 -3.509 -2.534 0.283 5 HA PHE 2 HA PHE 2 -2.956 -2.291 3.127 6 HB2 PHE 2 HB2 PHE 2 -0.760 -2.039 2.179 7 HB3 PHE 2 HB1 PHE 2 -1.351 -0.872 1.017 8 HD1 PHE 2 HD1 PHE 2 -0.677 1.242 1.402 9 HD2 PHE 2 HD2 PHE 2 -1.437 -1.280 4.734 10 HE1 PHE 2 HE1 PHE 2 -0.042 3.052 2.885 11 HE2 PHE 2 HE2 PHE 2 -0.806 0.537 6.257 12 HZ PHE 2 HZ PHE 2 -0.093 2.716 5.345 13 H CYS 3 HN CYS 3 -4.337 -0.887 4.010 14 HA CYS 3 HA CYS 3 -5.783 0.832 2.201 15 HB2 CYS 3 HB2 CYS 3 -6.616 -0.249 4.897 16 HB3 CYS 3 HB1 CYS 3 -7.585 0.809 3.879 17 H TRP 4 HN TRP 4 -5.459 2.817 2.323 18 HA TRP 4 HA TRP 4 -4.285 4.074 4.658 19 HB2 TRP 4 HB2 TRP 4 -2.326 3.446 3.588 20 HB3 TRP 4 HB1 TRP 4 -3.018 3.638 1.989 21 HD1 TRP 4 HD1 TRP 4 -1.565 5.738 4.862 22 HE1 TRP 4 HE1 TRP 4 -0.777 7.956 3.851 23 HE3 TRP 4 3HE TRP 4 -3.269 5.072 0.131 24 HZ2 TRP 4 HZ2 TRP 4 -0.901 9.222 1.446 25 HZ3 TRP 4 HZ3 TRP 4 -2.899 6.783 -1.517 26 HH2 TRP 4 2HH TRP 4 -1.715 8.891 -0.916 27 H HIS 5 HN HIS 5 -4.371 6.440 4.519 28 HA HIS 5 HA HIS 5 -5.937 8.062 4.635 29 HB2 HIS 5 HB2 HIS 5 -4.528 8.045 2.085 30 HB3 HIS 5 HB1 HIS 5 -5.896 9.177 2.169 31 HD1 HIS 5 HD1 HIS 5 -4.588 11.365 2.397 32 HD2 HIS 5 HD2 HIS 5 -3.352 8.448 5.086 33 HE1 HIS 5 HE1 HIS 5 -2.980 12.491 3.956 34 H HIS 6 HN HIS 6 -7.513 6.032 4.722 35 HA HIS 6 HA HIS 6 -9.611 5.311 4.496 36 HB2 HIS 6 HB2 HIS 6 -9.992 8.158 3.638 37 HB3 HIS 6 HB1 HIS 6 -11.349 7.043 3.655 38 HD1 HIS 6 HD1 HIS 6 -12.594 6.986 5.838 39 HD2 HIS 6 HD2 HIS 6 -8.664 8.247 6.293 40 HE1 HIS 6 HE1 HIS 6 -12.332 7.605 8.263 41 H SER 7 HN SER 7 -7.752 5.241 2.147 42 HA SER 7 HA SER 7 -9.721 4.237 0.256 43 HB2 SER 7 HB2 SER 7 -8.526 6.332 -0.547 44 HB3 SER 7 HB1 SER 7 -7.001 5.471 -0.358 45 HG SER 7 HG SER 7 -9.144 4.632 -2.001 46 H CYS 8 HN CYS 8 -7.930 2.725 -1.247 47 HA CYS 8 HA CYS 8 -6.103 1.404 0.481 48 HB2 CYS 8 HB2 CYS 8 -8.420 0.560 1.212 49 HB3 CYS 8 HB1 CYS 8 -8.507 -0.194 -0.379 50 H VAL 9 HN VAL 9 -4.866 -0.040 -0.545 51 HA VAL 9 HA VAL 9 -5.207 -0.122 -3.430 52 HB VAL 9 HB VAL 9 -2.709 -0.476 -3.585 53 HG11 VAL 9 HG11 VAL 9 -3.675 1.719 -4.087 54 HG12 VAL 9 HG12 VAL 9 -2.111 1.880 -3.258 55 HG13 VAL 9 3HG1 VAL 9 -3.609 2.122 -2.360 56 HG21 VAL 9 HG21 VAL 9 -1.267 0.246 -1.838 57 HG22 VAL 9 HG22 VAL 9 -2.279 -1.062 -1.206 58 HG23 VAL 9 HG23 VAL 9 -2.620 0.642 -0.801 59 HA PRO 10 HA PRO 10 -5.835 -4.399 -2.882 60 HB2 PRO 10 HB2 PRO 10 -5.409 -5.264 -5.413 61 HB3 PRO 10 HB1 PRO 10 -6.845 -4.345 -4.946 62 HG2 PRO 10 HG2 PRO 10 -4.333 -3.400 -6.265 63 HG3 PRO 10 HG1 PRO 10 -6.012 -2.998 -6.656 64 HD2 PRO 10 HD2 PRO 10 -4.425 -1.349 -5.223 65 HD3 PRO 10 HD1 PRO 10 -6.172 -1.463 -4.938 66 H SER 11 HN SER 11 -4.821 -6.544 -3.223 67 HA SER 11 HA SER 11 -2.129 -6.475 -2.373 68 HB2 SER 11 HB2 SER 11 -3.666 -8.915 -3.243 69 HB3 SER 11 HB1 SER 11 -2.456 -8.731 -1.957 70 HG SER 11 HG SER 11 -4.340 -8.738 -0.884 71 H GLY 12 HN GLY 12 -0.349 -6.636 -3.619 72 HA2 GLY 12 HA2 GLY 12 0.800 -7.566 -5.556 73 HA3 GLY 12 HA1 GLY 12 -0.694 -7.351 -6.458 74 H THR 13 HN THR 13 -0.725 -4.749 -4.668 75 HA THR 13 HA THR 13 0.258 -3.059 -6.758 76 HB THR 13 HB THR 13 -0.858 -2.408 -4.053 77 HG1 THR 13 HG1 THR 13 -2.505 -3.264 -5.042 78 HG21 THR 13 HG21 THR 13 0.279 -0.459 -4.929 79 HG22 THR 13 HG22 THR 13 -1.459 -0.186 -5.037 80 HG23 THR 13 HG23 THR 13 -0.540 -0.627 -6.479 81 H CYS 14 HN CYS 14 1.708 -1.433 -6.410 82 HA CYS 14 HA CYS 14 3.545 -1.406 -4.169 83 HB2 CYS 14 HB2 CYS 14 4.512 -1.583 -7.051 84 HB3 CYS 14 HB1 CYS 14 5.519 -1.295 -5.653 85 H ALA 15 HN ALA 15 3.835 0.692 -3.678 86 HA ALA 15 HA ALA 15 3.736 2.731 -5.714 87 HB1 ALA 15 HB1 ALA 15 1.847 3.954 -4.719 88 HB2 ALA 15 HB2 ALA 15 1.590 2.624 -3.588 89 HB3 ALA 15 HB3 ALA 15 1.337 2.371 -5.315 90 H ASP 16 HN ASP 16 4.332 4.879 -4.787 91 HA ASP 16 HA ASP 16 5.807 4.534 -2.373 92 HB2 ASP 16 HB2 ASP 16 6.945 6.475 -2.993 93 HB3 ASP 16 HB1 ASP 16 6.913 5.445 -4.411 94 H PHE 17 HN PHE 17 5.205 5.231 -0.619 95 HA PHE 17 HA PHE 17 2.985 7.132 -0.385 96 HB2 PHE 17 HB2 PHE 17 3.918 4.895 1.444 97 HB3 PHE 17 HB1 PHE 17 2.627 5.977 1.856 98 HD1 PHE 17 HD1 PHE 17 3.624 3.256 -0.396 99 HD2 PHE 17 HD2 PHE 17 0.419 5.719 0.913 100 HE1 PHE 17 HE1 PHE 17 2.066 1.839 -1.555 101 HE2 PHE 17 HE2 PHE 17 -1.160 4.274 -0.255 102 HZ PHE 17 HZ PHE 17 -0.351 2.328 -1.504 103 HA PRO 18 HA PRO 18 5.834 9.751 1.797 104 HB2 PRO 18 HB2 PRO 18 4.092 9.961 4.155 105 HB3 PRO 18 HB1 PRO 18 4.590 11.221 3.025 106 HG2 PRO 18 HG2 PRO 18 2.077 10.294 3.056 107 HG3 PRO 18 HG1 PRO 18 2.875 10.757 1.544 108 HD2 PRO 18 HD2 PRO 18 2.442 8.020 2.686 109 HD3 PRO 18 HD1 PRO 18 2.261 8.589 1.013 110 H TRP 19 HN TRP 19 7.222 9.925 3.629 111 HA TRP 19 HA TRP 19 8.228 7.548 4.689 112 HB2 TRP 19 HB2 TRP 19 9.507 9.689 4.513 113 HB3 TRP 19 HB1 TRP 19 8.474 10.383 5.751 114 HD1 TRP 19 HD1 TRP 19 11.498 8.128 5.289 115 HE1 TRP 19 HE1 TRP 19 12.525 7.620 7.599 116 HE3 TRP 19 3HE TRP 19 7.859 10.108 8.190 117 HZ2 TRP 19 HZ2 TRP 19 11.851 8.040 10.323 118 HZ3 TRP 19 HZ3 TRP 19 8.096 10.037 10.662 119 HH2 TRP 19 2HH TRP 19 10.055 9.016 11.692 120 HA PRO 20 HA PRO 20 9.050 6.581 6.280 121 HB2 PRO 20 HB2 PRO 20 8.859 4.590 8.043 122 HB3 PRO 20 HB1 PRO 20 9.267 6.238 8.527 123 HG2 PRO 20 HG2 PRO 20 6.771 4.729 8.972 124 HG3 PRO 20 HG1 PRO 20 7.400 6.139 9.838 125 HD2 PRO 20 HD2 PRO 20 5.421 6.040 7.726 126 HD3 PRO 20 HD1 PRO 20 5.962 7.441 8.669 127 H LEU 21 HN LEU 21 6.151 5.862 5.071 128 HA LEU 21 HA LEU 21 6.291 3.039 4.778 129 HB2 LEU 21 HB2 LEU 21 4.726 5.191 3.389 130 HB3 LEU 21 HB1 LEU 21 4.560 3.490 3.001 131 HG LEU 21 HG LEU 21 4.034 4.576 5.771 132 HD11 LEU 21 HD11 LEU 21 2.526 5.653 4.155 133 HD12 LEU 21 HD12 LEU 21 1.670 4.482 5.167 134 HD13 LEU 21 HD13 LEU 21 2.114 4.062 3.509 135 HD21 LEU 21 HD21 LEU 21 2.790 2.500 5.982 136 HD22 LEU 21 HD22 LEU 21 4.480 2.177 5.564 137 HD23 LEU 21 HD23 LEU 21 3.220 2.086 4.325 138 H GLY 22 HN GLY 22 6.770 5.755 2.529 139 HA2 GLY 22 HA2 GLY 22 8.161 5.940 0.707 140 HA3 GLY 22 HA1 GLY 22 9.035 4.527 1.305 141 H HIS 23 HN HIS 23 9.162 3.623 -0.805 142 HA HIS 23 HA HIS 23 6.645 2.928 -2.098 143 HB2 HIS 23 HB2 HIS 23 8.757 3.548 -3.423 144 HB3 HIS 23 HB1 HIS 23 9.408 2.002 -2.895 145 HD1 HIS 23 HD1 HIS 23 7.316 3.548 -5.499 146 HD2 HIS 23 HD2 HIS 23 7.951 -0.198 -3.883 147 HE1 HIS 23 HE1 HIS 23 6.306 1.926 -7.134 148 H GLN 24 HN GLN 24 5.549 1.294 -1.622 149 HA GLN 24 HA GLN 24 6.830 -1.009 -0.279 150 HB2 GLN 24 HB2 GLN 24 4.111 0.186 0.181 151 HB3 GLN 24 HB1 GLN 24 4.706 -1.284 0.911 152 HG2 GLN 24 HG2 GLN 24 5.928 1.421 1.342 153 HG3 GLN 24 HG1 GLN 24 4.675 0.732 2.367 154 HE21 GLN 24 1HE2 GLN 24 5.839 0.616 4.143 155 HE22 GLN 24 2HE2 GLN 24 7.221 -0.399 4.368 156 H CYS 25 HN CYS 25 6.002 -3.008 -0.879 157 HA CYS 25 HA CYS 25 3.924 -3.035 -2.931 158 HB2 CYS 25 HB2 CYS 25 6.143 -5.018 -2.376 159 HB3 CYS 25 HB1 CYS 25 4.803 -5.326 -3.479 160 H PHE 26 HN PHE 26 2.213 -4.535 -2.625 161 HA PHE 26 HA PHE 26 1.962 -5.203 0.234 162 HB2 PHE 26 HB2 PHE 26 -0.194 -4.152 -1.564 163 HB3 PHE 26 HB1 PHE 26 -0.337 -4.476 0.159 164 HD1 PHE 26 HD1 PHE 26 1.502 -3.273 1.621 165 HD2 PHE 26 HD2 PHE 26 0.196 -2.008 -2.232 166 HE1 PHE 26 HE1 PHE 26 2.291 -1.001 2.084 167 HE2 PHE 26 HE2 PHE 26 0.976 0.211 -1.777 168 HZ PHE 26 HZ PHE 26 2.024 0.748 0.369 169 HA PRO 27 HA PRO 27 1.090 -9.175 -1.865 170 HB2 PRO 27 HB2 PRO 27 1.627 -10.207 0.846 171 HB3 PRO 27 HB1 PRO 27 2.380 -10.653 -0.688 172 HG2 PRO 27 HG2 PRO 27 3.711 -9.240 1.156 173 HG3 PRO 27 HG1 PRO 27 3.931 -8.942 -0.578 174 HD2 PRO 27 HD2 PRO 27 2.310 -7.415 1.421 175 HD3 PRO 27 HD1 PRO 27 3.365 -6.810 0.124 176 H ASP 28 HN ASP 28 -0.139 -7.687 0.980 177 HA ASP 28 HA ASP 28 -2.599 -9.278 0.765 178 HB2 ASP 28 HB2 ASP 28 -2.915 -9.228 3.166 179 HB3 ASP 28 HB1 ASP 28 -1.320 -9.879 2.825 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 -1.471 -6.371 -0.124 2 HA2 GLY 1 HA2 GLY 1 -2.540 -4.416 -0.773 3 HA3 GLY 1 HA1 GLY 1 -3.989 -4.970 0.052 4 H PHE 2 HN PHE 2 -3.535 -2.421 0.342 5 HA PHE 2 HA PHE 2 -2.984 -2.181 3.177 6 HB2 PHE 2 HB2 PHE 2 -0.754 -1.875 2.271 7 HB3 PHE 2 HB1 PHE 2 -1.347 -0.694 1.120 8 HD1 PHE 2 HD1 PHE 2 -0.964 1.509 1.593 9 HD2 PHE 2 HD2 PHE 2 -1.295 -1.254 4.814 10 HE1 PHE 2 HE1 PHE 2 -0.441 3.290 3.147 11 HE2 PHE 2 HE2 PHE 2 -0.776 0.535 6.403 12 HZ PHE 2 HZ PHE 2 -0.336 2.826 5.582 13 H CYS 3 HN CYS 3 -4.373 -0.698 4.052 14 HA CYS 3 HA CYS 3 -5.798 0.908 2.139 15 HB2 CYS 3 HB2 CYS 3 -6.700 -0.063 4.864 16 HB3 CYS 3 HB1 CYS 3 -7.641 0.937 3.767 17 H TRP 4 HN TRP 4 -5.847 2.945 2.379 18 HA TRP 4 HA TRP 4 -4.632 4.346 4.589 19 HB2 TRP 4 HB2 TRP 4 -2.607 3.791 3.597 20 HB3 TRP 4 HB1 TRP 4 -3.277 3.810 1.976 21 HD1 TRP 4 HD1 TRP 4 -1.994 6.174 4.681 22 HE1 TRP 4 HE1 TRP 4 -1.381 8.399 3.534 23 HE3 TRP 4 3HE TRP 4 -3.661 5.102 0.034 24 HZ2 TRP 4 HZ2 TRP 4 -1.627 9.499 1.068 25 HZ3 TRP 4 HZ3 TRP 4 -3.448 6.722 -1.715 26 HH2 TRP 4 2HH TRP 4 -2.433 8.960 -1.265 27 H HIS 5 HN HIS 5 -4.901 6.707 4.366 28 HA HIS 5 HA HIS 5 -6.512 8.297 4.302 29 HB2 HIS 5 HB2 HIS 5 -5.143 8.030 1.749 30 HB3 HIS 5 HB1 HIS 5 -6.552 9.120 1.713 31 HD1 HIS 5 HD1 HIS 5 -5.406 11.389 1.735 32 HD2 HIS 5 HD2 HIS 5 -3.835 8.785 4.553 33 HE1 HIS 5 HE1 HIS 5 -3.733 12.716 3.061 34 H HIS 6 HN HIS 6 -7.861 5.879 4.320 35 HA HIS 6 HA HIS 6 -9.903 5.001 4.168 36 HB2 HIS 6 HB2 HIS 6 -10.682 7.790 3.306 37 HB3 HIS 6 HB1 HIS 6 -11.857 6.499 3.534 38 HD1 HIS 6 HD1 HIS 6 -12.322 5.749 6.010 39 HD2 HIS 6 HD2 HIS 6 -9.608 8.869 5.618 40 HE1 HIS 6 HE1 HIS 6 -12.046 6.726 8.308 41 H SER 7 HN SER 7 -8.066 5.058 1.944 42 HA SER 7 HA SER 7 -9.885 3.974 -0.045 43 HB2 SER 7 HB2 SER 7 -8.833 6.148 -0.799 44 HB3 SER 7 HB1 SER 7 -7.251 5.424 -0.528 45 HG SER 7 HG SER 7 -9.224 4.390 -2.264 46 H CYS 8 HN CYS 8 -8.124 2.443 -1.436 47 HA CYS 8 HA CYS 8 -6.187 1.354 0.370 48 HB2 CYS 8 HB2 CYS 8 -8.464 0.433 1.069 49 HB3 CYS 8 HB1 CYS 8 -8.465 -0.415 -0.481 50 H VAL 9 HN VAL 9 -4.812 0.016 -0.564 51 HA VAL 9 HA VAL 9 -5.035 -0.172 -3.452 52 HB VAL 9 HB VAL 9 -2.528 -0.457 -3.497 53 HG11 VAL 9 HG11 VAL 9 -3.552 2.115 -2.326 54 HG12 VAL 9 HG12 VAL 9 -3.460 1.711 -4.060 55 HG13 VAL 9 3HG1 VAL 9 -1.981 1.896 -3.088 56 HG21 VAL 9 HG21 VAL 9 -2.178 -1.046 -1.123 57 HG22 VAL 9 HG22 VAL 9 -2.601 0.647 -0.710 58 HG23 VAL 9 HG23 VAL 9 -1.187 0.303 -1.686 59 HA PRO 10 HA PRO 10 -5.641 -4.420 -2.748 60 HB2 PRO 10 HB2 PRO 10 -5.249 -5.305 -5.295 61 HB3 PRO 10 HB1 PRO 10 -6.730 -4.521 -4.738 62 HG2 PRO 10 HG2 PRO 10 -4.465 -3.423 -6.317 63 HG3 PRO 10 HG1 PRO 10 -6.192 -3.047 -6.420 64 HD2 PRO 10 HD2 PRO 10 -4.326 -1.456 -5.185 65 HD3 PRO 10 HD1 PRO 10 -6.048 -1.445 -4.783 66 H SER 11 HN SER 11 -4.699 -6.569 -3.078 67 HA SER 11 HA SER 11 -2.025 -6.631 -2.242 68 HB2 SER 11 HB2 SER 11 -3.619 -8.977 -3.279 69 HB3 SER 11 HB1 SER 11 -2.389 -8.904 -1.998 70 HG SER 11 HG SER 11 -4.907 -8.832 -1.587 71 H GLY 12 HN GLY 12 -0.256 -6.627 -3.468 72 HA2 GLY 12 HA2 GLY 12 0.990 -7.547 -5.333 73 HA3 GLY 12 HA1 GLY 12 -0.477 -7.415 -6.297 74 H THR 13 HN THR 13 -0.742 -4.767 -4.622 75 HA THR 13 HA THR 13 0.367 -3.151 -6.693 76 HB THR 13 HB THR 13 -1.148 -2.504 -4.210 77 HG1 THR 13 HG1 THR 13 -1.953 -3.587 -6.368 78 HG21 THR 13 HG21 THR 13 -0.416 -0.622 -6.475 79 HG22 THR 13 HG22 THR 13 0.032 -0.489 -4.762 80 HG23 THR 13 HG23 THR 13 -1.637 -0.264 -5.252 81 H CYS 14 HN CYS 14 1.672 -1.470 -6.306 82 HA CYS 14 HA CYS 14 3.400 -1.367 -3.964 83 HB2 CYS 14 HB2 CYS 14 4.416 -1.439 -6.832 84 HB3 CYS 14 HB1 CYS 14 5.404 -1.170 -5.408 85 H ALA 15 HN ALA 15 3.610 0.749 -3.387 86 HA ALA 15 HA ALA 15 3.285 2.812 -5.384 87 HB1 ALA 15 HB1 ALA 15 1.296 2.595 -3.125 88 HB2 ALA 15 HB2 ALA 15 0.963 2.238 -4.818 89 HB3 ALA 15 HB3 ALA 15 1.374 3.880 -4.330 90 H ASP 16 HN ASP 16 3.741 4.880 -4.628 91 HA ASP 16 HA ASP 16 5.720 4.938 -2.495 92 HB2 ASP 16 HB2 ASP 16 6.283 5.970 -4.623 93 HB3 ASP 16 HB1 ASP 16 4.878 7.026 -4.510 94 H PHE 17 HN PHE 17 5.136 5.351 -0.562 95 HA PHE 17 HA PHE 17 2.970 7.256 -0.001 96 HB2 PHE 17 HB2 PHE 17 3.955 4.857 1.549 97 HB3 PHE 17 HB1 PHE 17 2.779 5.931 2.201 98 HD1 PHE 17 HD1 PHE 17 3.266 3.068 0.144 99 HD2 PHE 17 HD2 PHE 17 0.601 6.295 0.895 100 HE1 PHE 17 HE1 PHE 17 1.500 1.897 -1.021 101 HE2 PHE 17 HE2 PHE 17 -1.180 5.091 -0.261 102 HZ PHE 17 HZ PHE 17 -0.740 2.884 -1.227 103 HA PRO 18 HA PRO 18 5.897 9.737 2.251 104 HB2 PRO 18 HB2 PRO 18 4.325 9.426 4.756 105 HB3 PRO 18 HB1 PRO 18 4.801 10.904 3.915 106 HG2 PRO 18 HG2 PRO 18 2.289 10.068 3.820 107 HG3 PRO 18 HG1 PRO 18 3.070 10.744 2.379 108 HD2 PRO 18 HD2 PRO 18 2.561 7.875 3.077 109 HD3 PRO 18 HD1 PRO 18 2.363 8.687 1.514 110 H TRP 19 HN TRP 19 7.549 9.639 3.837 111 HA TRP 19 HA TRP 19 8.521 7.027 4.412 112 HB2 TRP 19 HB2 TRP 19 9.790 9.324 4.136 113 HB3 TRP 19 HB1 TRP 19 9.428 9.527 5.844 114 HD1 TRP 19 HD1 TRP 19 11.540 7.414 3.456 115 HE1 TRP 19 HE1 TRP 19 13.380 6.227 4.812 116 HE3 TRP 19 3HE TRP 19 10.010 8.657 8.132 117 HZ2 TRP 19 HZ2 TRP 19 14.086 5.866 7.507 118 HZ3 TRP 19 HZ3 TRP 19 11.317 7.852 10.068 119 HH2 TRP 19 2HH TRP 19 13.313 6.483 9.753 120 HA PRO 20 HA PRO 20 9.708 5.956 6.041 121 HB2 PRO 20 HB2 PRO 20 9.527 3.840 7.597 122 HB3 PRO 20 HB1 PRO 20 9.983 5.418 8.255 123 HG2 PRO 20 HG2 PRO 20 7.367 3.988 8.407 124 HG3 PRO 20 HG1 PRO 20 8.180 4.969 9.636 125 HD2 PRO 20 HD2 PRO 20 6.138 5.827 7.923 126 HD3 PRO 20 HD1 PRO 20 7.204 6.874 8.876 127 H LEU 21 HN LEU 21 6.633 5.527 4.975 128 HA LEU 21 HA LEU 21 6.737 2.746 4.407 129 HB2 LEU 21 HB2 LEU 21 5.034 5.002 3.381 130 HB3 LEU 21 HB1 LEU 21 4.833 3.334 2.876 131 HG LEU 21 HG LEU 21 4.557 4.237 5.749 132 HD11 LEU 21 HD11 LEU 21 2.448 3.758 3.651 133 HD12 LEU 21 HD12 LEU 21 2.857 5.327 4.359 134 HD13 LEU 21 HD13 LEU 21 2.142 4.060 5.360 135 HD21 LEU 21 HD21 LEU 21 3.416 2.108 5.988 136 HD22 LEU 21 HD22 LEU 21 5.066 1.862 5.382 137 HD23 LEU 21 HD23 LEU 21 3.682 1.793 4.274 138 H GLY 22 HN GLY 22 7.020 5.700 2.442 139 HA2 GLY 22 HA2 GLY 22 8.169 6.052 0.480 140 HA3 GLY 22 HA1 GLY 22 9.143 4.632 0.874 141 H HIS 23 HN HIS 23 9.038 3.852 -1.266 142 HA HIS 23 HA HIS 23 6.424 3.166 -2.296 143 HB2 HIS 23 HB2 HIS 23 8.300 3.895 -3.827 144 HB3 HIS 23 HB1 HIS 23 9.155 2.425 -3.395 145 HD1 HIS 23 HD1 HIS 23 6.540 3.761 -5.672 146 HD2 HIS 23 HD2 HIS 23 7.984 0.107 -4.369 147 HE1 HIS 23 HE1 HIS 23 5.632 2.059 -7.274 148 H GLN 24 HN GLN 24 5.422 1.621 -1.396 149 HA GLN 24 HA GLN 24 6.891 -0.721 -0.377 150 HB2 GLN 24 HB2 GLN 24 4.237 0.428 0.420 151 HB3 GLN 24 HB1 GLN 24 4.861 -1.094 1.011 152 HG2 GLN 24 HG2 GLN 24 6.175 1.572 1.412 153 HG3 GLN 24 HG1 GLN 24 5.088 0.806 2.564 154 HE21 GLN 24 1HE2 GLN 24 6.566 0.678 4.125 155 HE22 GLN 24 2HE2 GLN 24 7.932 -0.377 4.102 156 H CYS 25 HN CYS 25 6.094 -2.743 -0.827 157 HA CYS 25 HA CYS 25 3.935 -2.951 -2.785 158 HB2 CYS 25 HB2 CYS 25 6.277 -4.779 -2.210 159 HB3 CYS 25 HB1 CYS 25 4.920 -5.228 -3.237 160 H PHE 26 HN PHE 26 2.303 -4.490 -2.380 161 HA PHE 26 HA PHE 26 2.144 -5.220 0.479 162 HB2 PHE 26 HB2 PHE 26 -0.114 -4.158 -1.186 163 HB3 PHE 26 HB1 PHE 26 -0.120 -4.461 0.543 164 HD1 PHE 26 HD1 PHE 26 1.674 -3.141 1.906 165 HD2 PHE 26 HD2 PHE 26 0.272 -2.037 -1.975 166 HE1 PHE 26 HE1 PHE 26 2.426 -0.841 2.267 167 HE2 PHE 26 HE2 PHE 26 1.017 0.188 -1.627 168 HZ PHE 26 HZ PHE 26 2.098 0.834 0.493 169 HA PRO 27 HA PRO 27 1.178 -9.120 -1.730 170 HB2 PRO 27 HB2 PRO 27 1.494 -10.228 0.981 171 HB3 PRO 27 HB1 PRO 27 2.334 -10.663 -0.507 172 HG2 PRO 27 HG2 PRO 27 3.577 -9.340 1.462 173 HG3 PRO 27 HG1 PRO 27 3.934 -9.019 -0.242 174 HD2 PRO 27 HD2 PRO 27 2.240 -7.447 1.664 175 HD3 PRO 27 HD1 PRO 27 3.403 -6.878 0.444 176 H ASP 28 HN ASP 28 -0.246 -7.598 0.984 177 HA ASP 28 HA ASP 28 -2.719 -9.141 0.603 178 HB2 ASP 28 HB2 ASP 28 -3.180 -9.090 2.979 179 HB3 ASP 28 HB1 ASP 28 -1.575 -9.762 2.738 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 -1.797 -6.455 -0.306 2 HA2 GLY 1 HA2 GLY 1 -2.800 -4.453 -0.864 3 HA3 GLY 1 HA1 GLY 1 -4.297 -5.038 -0.159 4 H PHE 2 HN PHE 2 -3.795 -2.485 0.311 5 HA PHE 2 HA PHE 2 -3.372 -2.465 3.173 6 HB2 PHE 2 HB2 PHE 2 -1.100 -2.087 2.398 7 HB3 PHE 2 HB1 PHE 2 -1.641 -0.804 1.333 8 HD1 PHE 2 HD1 PHE 2 -2.013 -1.627 4.969 9 HD2 PHE 2 HD2 PHE 2 -1.021 1.287 2.030 10 HE1 PHE 2 HE1 PHE 2 -1.538 0.010 6.739 11 HE2 PHE 2 HE2 PHE 2 -0.552 2.910 3.779 12 HZ PHE 2 HZ PHE 2 -0.807 2.283 6.152 13 H CYS 3 HN CYS 3 -4.847 -1.174 4.090 14 HA CYS 3 HA CYS 3 -6.288 0.604 2.332 15 HB2 CYS 3 HB2 CYS 3 -7.071 -0.637 4.959 16 HB3 CYS 3 HB1 CYS 3 -8.082 0.452 4.020 17 H TRP 4 HN TRP 4 -6.164 2.587 2.592 18 HA TRP 4 HA TRP 4 -5.274 3.925 4.962 19 HB2 TRP 4 HB2 TRP 4 -3.139 3.163 4.321 20 HB3 TRP 4 HB1 TRP 4 -3.475 3.390 2.614 21 HD1 TRP 4 HD1 TRP 4 -2.619 5.395 5.759 22 HE1 TRP 4 HE1 TRP 4 -1.591 7.641 4.984 23 HE3 TRP 4 3HE TRP 4 -3.290 4.873 0.757 24 HZ2 TRP 4 HZ2 TRP 4 -1.160 8.949 2.608 25 HZ3 TRP 4 HZ3 TRP 4 -2.534 6.624 -0.738 26 HH2 TRP 4 2HH TRP 4 -1.467 8.669 0.149 27 H HIS 5 HN HIS 5 -5.342 6.304 4.650 28 HA HIS 5 HA HIS 5 -6.461 8.125 4.114 29 HB2 HIS 5 HB2 HIS 5 -4.675 7.595 2.223 30 HB3 HIS 5 HB1 HIS 5 -6.122 7.580 1.214 31 HD1 HIS 5 HD1 HIS 5 -6.645 9.856 0.267 32 HD2 HIS 5 HD2 HIS 5 -4.691 10.003 3.910 33 HE1 HIS 5 HE1 HIS 5 -6.311 12.310 0.762 34 H HIS 6 HN HIS 6 -8.101 5.698 4.277 35 HA HIS 6 HA HIS 6 -10.205 5.028 4.101 36 HB2 HIS 6 HB2 HIS 6 -10.665 7.784 2.979 37 HB3 HIS 6 HB1 HIS 6 -11.970 6.609 3.095 38 HD1 HIS 6 HD1 HIS 6 -12.967 6.196 5.416 39 HD2 HIS 6 HD2 HIS 6 -9.668 8.712 5.458 40 HE1 HIS 6 HE1 HIS 6 -12.899 7.216 7.716 41 H SER 7 HN SER 7 -8.225 4.974 1.806 42 HA SER 7 HA SER 7 -10.071 3.674 -0.029 43 HB2 SER 7 HB2 SER 7 -7.487 5.154 -0.620 44 HB3 SER 7 HB1 SER 7 -8.395 4.214 -1.807 45 HG SER 7 HG SER 7 -10.182 5.589 -1.345 46 H CYS 8 HN CYS 8 -8.296 2.100 -1.391 47 HA CYS 8 HA CYS 8 -6.403 1.014 0.475 48 HB2 CYS 8 HB2 CYS 8 -8.753 0.082 1.025 49 HB3 CYS 8 HB1 CYS 8 -8.572 -0.751 -0.528 50 H VAL 9 HN VAL 9 -4.901 0.078 -0.475 51 HA VAL 9 HA VAL 9 -4.966 0.057 -3.364 52 HB VAL 9 HB VAL 9 -2.456 -0.250 -3.301 53 HG11 VAL 9 HG11 VAL 9 -3.355 1.976 -3.599 54 HG12 VAL 9 HG12 VAL 9 -1.920 2.006 -2.546 55 HG13 VAL 9 3HG1 VAL 9 -3.532 2.135 -1.839 56 HG21 VAL 9 HG21 VAL 9 -2.743 0.291 -0.351 57 HG22 VAL 9 HG22 VAL 9 -1.252 0.335 -1.272 58 HG23 VAL 9 HG23 VAL 9 -2.113 -1.196 -1.099 59 HA PRO 10 HA PRO 10 -5.724 -4.249 -3.638 60 HB2 PRO 10 HB2 PRO 10 -4.088 -4.239 -6.087 61 HB3 PRO 10 HB1 PRO 10 -5.781 -4.678 -5.867 62 HG2 PRO 10 HG2 PRO 10 -5.003 -2.386 -7.058 63 HG3 PRO 10 HG1 PRO 10 -6.508 -2.519 -6.131 64 HD2 PRO 10 HD2 PRO 10 -3.941 -1.207 -5.421 65 HD3 PRO 10 HD1 PRO 10 -5.608 -0.812 -4.949 66 H SER 11 HN SER 11 -4.680 -6.336 -3.992 67 HA SER 11 HA SER 11 -2.216 -6.467 -2.523 68 HB2 SER 11 HB2 SER 11 -3.700 -8.780 -3.795 69 HB3 SER 11 HB1 SER 11 -2.594 -8.773 -2.405 70 HG SER 11 HG SER 11 -5.093 -7.463 -2.479 71 H GLY 12 HN GLY 12 -0.311 -6.584 -3.417 72 HA2 GLY 12 HA2 GLY 12 1.232 -7.404 -5.053 73 HA3 GLY 12 HA1 GLY 12 -0.058 -7.321 -6.255 74 H THR 13 HN THR 13 -0.769 -4.710 -4.736 75 HA THR 13 HA THR 13 0.459 -2.975 -6.554 76 HB THR 13 HB THR 13 -1.117 -2.522 -4.073 77 HG1 THR 13 HG1 THR 13 -1.801 -2.653 -6.835 78 HG21 THR 13 HG21 THR 13 -0.055 -0.433 -4.471 79 HG22 THR 13 HG22 THR 13 -1.684 -0.237 -5.137 80 HG23 THR 13 HG23 THR 13 -0.315 -0.542 -6.204 81 H CYS 14 HN CYS 14 1.685 -1.312 -6.067 82 HA CYS 14 HA CYS 14 3.368 -1.223 -3.712 83 HB2 CYS 14 HB2 CYS 14 4.410 -1.209 -6.566 84 HB3 CYS 14 HB1 CYS 14 5.373 -0.945 -5.124 85 H ALA 15 HN ALA 15 3.453 0.866 -3.134 86 HA ALA 15 HA ALA 15 3.024 2.896 -5.174 87 HB1 ALA 15 HB1 ALA 15 0.795 2.442 -4.252 88 HB2 ALA 15 HB2 ALA 15 1.357 4.049 -3.790 89 HB3 ALA 15 HB3 ALA 15 1.407 2.731 -2.624 90 H ASP 16 HN ASP 16 3.647 5.005 -4.401 91 HA ASP 16 HA ASP 16 5.858 4.724 -2.531 92 HB2 ASP 16 HB2 ASP 16 6.325 5.631 -4.787 93 HB3 ASP 16 HB1 ASP 16 5.234 6.968 -4.454 94 H PHE 17 HN PHE 17 5.158 4.974 -0.589 95 HA PHE 17 HA PHE 17 3.185 6.991 0.115 96 HB2 PHE 17 HB2 PHE 17 4.483 4.738 1.689 97 HB3 PHE 17 HB1 PHE 17 3.412 5.898 2.394 98 HD1 PHE 17 HD1 PHE 17 3.441 3.152 -0.202 99 HD2 PHE 17 HD2 PHE 17 1.097 5.735 2.274 100 HE1 PHE 17 HE1 PHE 17 1.487 1.938 -0.769 101 HE2 PHE 17 HE2 PHE 17 -0.876 4.459 1.679 102 HZ PHE 17 HZ PHE 17 -0.703 2.558 0.144 103 HA PRO 18 HA PRO 18 6.120 9.860 1.844 104 HB2 PRO 18 HB2 PRO 18 4.815 9.836 4.490 105 HB3 PRO 18 HB1 PRO 18 4.981 11.168 3.347 106 HG2 PRO 18 HG2 PRO 18 2.615 9.986 3.784 107 HG3 PRO 18 HG1 PRO 18 3.078 10.581 2.180 108 HD2 PRO 18 HD2 PRO 18 3.103 7.779 3.234 109 HD3 PRO 18 HD1 PRO 18 2.592 8.381 1.646 110 H TRP 19 HN TRP 19 7.801 10.125 3.415 111 HA TRP 19 HA TRP 19 9.154 7.804 4.226 112 HB2 TRP 19 HB2 TRP 19 10.193 10.044 3.809 113 HB3 TRP 19 HB1 TRP 19 9.425 10.647 5.264 114 HD1 TRP 19 HD1 TRP 19 12.391 8.587 4.071 115 HE1 TRP 19 HE1 TRP 19 13.970 8.176 6.055 116 HE3 TRP 19 3HE TRP 19 9.428 10.327 7.775 117 HZ2 TRP 19 HZ2 TRP 19 13.958 8.558 8.865 118 HZ3 TRP 19 HZ3 TRP 19 10.262 10.292 10.122 119 HH2 TRP 19 2HH TRP 19 12.485 9.416 10.640 120 HA PRO 20 HA PRO 20 10.229 6.779 5.545 121 HB2 PRO 20 HB2 PRO 20 10.603 4.932 7.401 122 HB3 PRO 20 HB1 PRO 20 10.933 6.637 7.735 123 HG2 PRO 20 HG2 PRO 20 8.721 4.930 8.691 124 HG3 PRO 20 HG1 PRO 20 9.407 6.392 9.425 125 HD2 PRO 20 HD2 PRO 20 7.057 6.126 7.747 126 HD3 PRO 20 HD1 PRO 20 7.677 7.579 8.560 127 H LEU 21 HN LEU 21 7.339 6.030 4.756 128 HA LEU 21 HA LEU 21 7.439 3.156 4.694 129 HB2 LEU 21 HB2 LEU 21 5.542 5.224 3.610 130 HB3 LEU 21 HB1 LEU 21 5.364 3.516 3.268 131 HG LEU 21 HG LEU 21 5.387 4.566 6.097 132 HD11 LEU 21 HD11 LEU 21 3.581 5.684 4.855 133 HD12 LEU 21 HD12 LEU 21 2.947 4.502 6.000 134 HD13 LEU 21 HD13 LEU 21 3.015 4.115 4.278 135 HD21 LEU 21 HD21 LEU 21 4.216 2.468 6.520 136 HD22 LEU 21 HD22 LEU 21 5.777 2.163 5.747 137 HD23 LEU 21 HD23 LEU 21 4.285 2.092 4.802 138 H GLY 22 HN GLY 22 7.366 5.807 2.314 139 HA2 GLY 22 HA2 GLY 22 8.341 5.984 0.252 140 HA3 GLY 22 HA1 GLY 22 9.421 4.675 0.724 141 H HIS 23 HN HIS 23 9.320 3.591 -1.197 142 HA HIS 23 HA HIS 23 6.828 2.878 -2.409 143 HB2 HIS 23 HB2 HIS 23 8.897 3.199 -3.750 144 HB3 HIS 23 HB1 HIS 23 9.629 1.849 -2.907 145 HD1 HIS 23 HD1 HIS 23 7.417 2.689 -5.776 146 HD2 HIS 23 HD2 HIS 23 8.642 -0.627 -3.628 147 HE1 HIS 23 HE1 HIS 23 6.810 0.693 -7.184 148 H GLN 24 HN GLN 24 5.578 1.588 -1.375 149 HA GLN 24 HA GLN 24 6.681 -0.751 0.020 150 HB2 GLN 24 HB2 GLN 24 4.224 0.899 0.569 151 HB3 GLN 24 HB1 GLN 24 4.580 -0.618 1.377 152 HG2 GLN 24 HG2 GLN 24 6.407 1.772 1.446 153 HG3 GLN 24 HG1 GLN 24 5.178 1.421 2.667 154 HE21 GLN 24 1HE2 GLN 24 5.497 -0.257 4.029 155 HE22 GLN 24 2HE2 GLN 24 7.020 -1.038 4.187 156 H CYS 25 HN CYS 25 5.869 -2.716 -0.478 157 HA CYS 25 HA CYS 25 3.723 -2.849 -2.479 158 HB2 CYS 25 HB2 CYS 25 6.012 -4.752 -1.977 159 HB3 CYS 25 HB1 CYS 25 4.703 -5.056 -3.112 160 H PHE 26 HN PHE 26 2.066 -4.327 -2.140 161 HA PHE 26 HA PHE 26 1.970 -5.396 0.623 162 HB2 PHE 26 HB2 PHE 26 -0.374 -4.198 -0.819 163 HB3 PHE 26 HB1 PHE 26 -0.234 -4.589 0.891 164 HD1 PHE 26 HD1 PHE 26 1.464 -3.275 2.263 165 HD2 PHE 26 HD2 PHE 26 0.147 -2.089 -1.623 166 HE1 PHE 26 HE1 PHE 26 2.264 -0.984 2.659 167 HE2 PHE 26 HE2 PHE 26 0.935 0.122 -1.231 168 HZ PHE 26 HZ PHE 26 1.982 0.719 0.863 169 HA PRO 27 HA PRO 27 0.853 -8.956 -2.002 170 HB2 PRO 27 HB2 PRO 27 1.208 -10.488 0.463 171 HB3 PRO 27 HB1 PRO 27 2.092 -10.625 -1.058 172 HG2 PRO 27 HG2 PRO 27 3.230 -9.636 1.182 173 HG3 PRO 27 HG1 PRO 27 3.666 -9.055 -0.432 174 HD2 PRO 27 HD2 PRO 27 1.865 -7.813 1.610 175 HD3 PRO 27 HD1 PRO 27 3.079 -7.058 0.550 176 H ASP 28 HN ASP 28 -0.582 -7.683 0.749 177 HA ASP 28 HA ASP 28 -3.031 -9.267 0.338 178 HB2 ASP 28 HB2 ASP 28 -3.474 -9.209 2.746 179 HB3 ASP 28 HB1 ASP 28 -1.910 -9.946 2.446 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 -1.711 -6.478 -0.179 2 HA2 GLY 1 HA2 GLY 1 -2.665 -4.440 -0.814 3 HA3 GLY 1 HA1 GLY 1 -4.189 -4.966 -0.116 4 H PHE 2 HN PHE 2 -3.525 -2.423 0.348 5 HA PHE 2 HA PHE 2 -2.857 -2.370 3.200 6 HB2 PHE 2 HB2 PHE 2 -0.736 -2.036 2.064 7 HB3 PHE 2 HB1 PHE 2 -1.437 -0.772 1.080 8 HD1 PHE 2 HD1 PHE 2 -0.734 -1.629 4.636 9 HD2 PHE 2 HD2 PHE 2 -1.144 1.428 1.703 10 HE1 PHE 2 HE1 PHE 2 0.090 0.032 6.245 11 HE2 PHE 2 HE2 PHE 2 -0.336 3.078 3.285 12 HZ PHE 2 HZ PHE 2 0.292 2.396 5.580 13 H CYS 3 HN CYS 3 -3.926 -0.702 4.278 14 HA CYS 3 HA CYS 3 -5.676 0.855 2.595 15 HB2 CYS 3 HB2 CYS 3 -6.028 -0.100 5.422 16 HB3 CYS 3 HB1 CYS 3 -7.076 1.099 4.665 17 H TRP 4 HN TRP 4 -5.513 2.802 2.489 18 HA TRP 4 HA TRP 4 -4.285 4.515 4.457 19 HB2 TRP 4 HB2 TRP 4 -2.242 3.808 3.517 20 HB3 TRP 4 HB1 TRP 4 -2.894 3.764 1.885 21 HD1 TRP 4 HD1 TRP 4 -1.660 6.270 4.526 22 HE1 TRP 4 HE1 TRP 4 -1.045 8.456 3.314 23 HE3 TRP 4 3HE TRP 4 -3.183 4.997 -0.143 24 HZ2 TRP 4 HZ2 TRP 4 -1.205 9.472 0.725 25 HZ3 TRP 4 HZ3 TRP 4 -2.924 6.568 -1.958 26 HH2 TRP 4 2HH TRP 4 -1.947 8.807 -1.567 27 H HIS 5 HN HIS 5 -4.594 6.861 3.903 28 HA HIS 5 HA HIS 5 -5.929 8.528 3.363 29 HB2 HIS 5 HB2 HIS 5 -4.527 7.915 1.250 30 HB3 HIS 5 HB1 HIS 5 -6.088 7.450 0.572 31 HD1 HIS 5 HD1 HIS 5 -6.972 9.379 -0.824 32 HD2 HIS 5 HD2 HIS 5 -4.990 10.509 2.614 33 HE1 HIS 5 HE1 HIS 5 -7.075 11.901 -0.808 34 H HIS 6 HN HIS 6 -7.268 6.095 4.253 35 HA HIS 6 HA HIS 6 -9.316 5.206 4.600 36 HB2 HIS 6 HB2 HIS 6 -10.380 7.636 3.126 37 HB3 HIS 6 HB1 HIS 6 -11.366 6.502 4.040 38 HD1 HIS 6 HD1 HIS 6 -11.027 6.560 6.692 39 HD2 HIS 6 HD2 HIS 6 -9.145 9.564 4.543 40 HE1 HIS 6 HE1 HIS 6 -10.362 8.308 8.370 41 H SER 7 HN SER 7 -7.821 5.035 1.959 42 HA SER 7 HA SER 7 -9.841 3.474 0.488 43 HB2 SER 7 HB2 SER 7 -9.039 5.591 -0.699 44 HB3 SER 7 HB1 SER 7 -7.401 4.969 -0.565 45 HG SER 7 HG SER 7 -9.575 3.836 -1.994 46 H CYS 8 HN CYS 8 -8.402 1.913 -0.887 47 HA CYS 8 HA CYS 8 -6.225 0.954 0.733 48 HB2 CYS 8 HB2 CYS 8 -8.684 -0.652 0.104 49 HB3 CYS 8 HB1 CYS 8 -7.194 -1.304 0.858 50 H VAL 9 HN VAL 9 -4.743 0.040 -0.430 51 HA VAL 9 HA VAL 9 -5.262 -0.140 -3.270 52 HB VAL 9 HB VAL 9 -2.776 -0.395 -3.508 53 HG11 VAL 9 HG11 VAL 9 -3.733 2.032 -2.026 54 HG12 VAL 9 HG12 VAL 9 -3.740 1.807 -3.800 55 HG13 VAL 9 3HG1 VAL 9 -2.206 1.910 -2.898 56 HG21 VAL 9 HG21 VAL 9 -2.223 -1.201 -1.234 57 HG22 VAL 9 HG22 VAL 9 -2.650 0.420 -0.612 58 HG23 VAL 9 HG23 VAL 9 -1.306 0.232 -1.704 59 HA PRO 10 HA PRO 10 -5.842 -4.437 -2.842 60 HB2 PRO 10 HB2 PRO 10 -5.487 -5.199 -5.440 61 HB3 PRO 10 HB1 PRO 10 -6.946 -4.404 -4.846 62 HG2 PRO 10 HG2 PRO 10 -4.629 -3.249 -6.333 63 HG3 PRO 10 HG1 PRO 10 -6.356 -2.886 -6.486 64 HD2 PRO 10 HD2 PRO 10 -4.593 -1.303 -5.144 65 HD3 PRO 10 HD1 PRO 10 -6.311 -1.388 -4.730 66 H SER 11 HN SER 11 -4.830 -6.545 -3.286 67 HA SER 11 HA SER 11 -2.153 -6.569 -2.512 68 HB2 SER 11 HB2 SER 11 -2.384 -9.044 -3.006 69 HB3 SER 11 HB1 SER 11 -3.534 -8.378 -1.855 70 HG SER 11 HG SER 11 -5.121 -8.729 -3.199 71 H GLY 12 HN GLY 12 -0.322 -6.701 -3.639 72 HA2 GLY 12 HA2 GLY 12 0.969 -7.265 -5.547 73 HA3 GLY 12 HA1 GLY 12 -0.490 -7.169 -6.524 74 H THR 13 HN THR 13 -0.709 -4.591 -4.604 75 HA THR 13 HA THR 13 0.219 -2.813 -6.653 76 HB THR 13 HB THR 13 -0.841 -2.188 -3.910 77 HG1 THR 13 HG1 THR 13 -2.505 -3.113 -4.886 78 HG21 THR 13 HG21 THR 13 -0.628 -0.415 -6.359 79 HG22 THR 13 HG22 THR 13 0.268 -0.253 -4.841 80 HG23 THR 13 HG23 THR 13 -1.464 0.031 -4.868 81 H CYS 14 HN CYS 14 1.689 -1.248 -6.322 82 HA CYS 14 HA CYS 14 3.570 -1.305 -4.112 83 HB2 CYS 14 HB2 CYS 14 4.371 -1.433 -7.043 84 HB3 CYS 14 HB1 CYS 14 5.476 -1.143 -5.712 85 H ALA 15 HN ALA 15 3.891 0.770 -3.538 86 HA ALA 15 HA ALA 15 3.623 2.876 -5.521 87 HB1 ALA 15 HB1 ALA 15 1.784 2.774 -3.138 88 HB2 ALA 15 HB2 ALA 15 1.303 2.455 -4.798 89 HB3 ALA 15 HB3 ALA 15 1.865 4.067 -4.338 90 H ASP 16 HN ASP 16 4.219 4.944 -4.700 91 HA ASP 16 HA ASP 16 6.111 4.825 -2.493 92 HB2 ASP 16 HB2 ASP 16 6.965 5.811 -4.536 93 HB3 ASP 16 HB1 ASP 16 5.584 6.891 -4.647 94 H PHE 17 HN PHE 17 5.219 5.122 -0.641 95 HA PHE 17 HA PHE 17 2.986 6.990 -0.277 96 HB2 PHE 17 HB2 PHE 17 4.106 4.777 1.454 97 HB3 PHE 17 HB1 PHE 17 2.799 5.793 1.971 98 HD1 PHE 17 HD1 PHE 17 0.560 5.606 0.961 99 HD2 PHE 17 HD2 PHE 17 3.755 3.049 -0.224 100 HE1 PHE 17 HE1 PHE 17 -1.025 4.119 -0.124 101 HE2 PHE 17 HE2 PHE 17 2.184 1.590 -1.296 102 HZ PHE 17 HZ PHE 17 -0.234 2.103 -1.265 103 HA PRO 18 HA PRO 18 5.426 9.924 2.045 104 HB2 PRO 18 HB2 PRO 18 3.757 9.462 4.465 105 HB3 PRO 18 HB1 PRO 18 4.085 10.969 3.604 106 HG2 PRO 18 HG2 PRO 18 1.717 9.796 3.389 107 HG3 PRO 18 HG1 PRO 18 2.484 10.538 1.974 108 HD2 PRO 18 HD2 PRO 18 2.309 7.660 2.748 109 HD3 PRO 18 HD1 PRO 18 2.110 8.391 1.144 110 H TRP 19 HN TRP 19 6.870 10.172 3.854 111 HA TRP 19 HA TRP 19 8.314 7.857 4.620 112 HB2 TRP 19 HB2 TRP 19 9.154 10.257 4.442 113 HB3 TRP 19 HB1 TRP 19 8.280 10.597 5.925 114 HD1 TRP 19 HD1 TRP 19 11.428 8.933 4.604 115 HE1 TRP 19 HE1 TRP 19 12.993 8.422 6.558 116 HE3 TRP 19 3HE TRP 19 8.257 10.013 8.390 117 HZ2 TRP 19 HZ2 TRP 19 12.887 8.477 9.407 118 HZ3 TRP 19 HZ3 TRP 19 9.041 9.770 10.739 119 HH2 TRP 19 2HH TRP 19 11.314 9.012 11.221 120 HA PRO 20 HA PRO 20 9.294 6.803 6.085 121 HB2 PRO 20 HB2 PRO 20 9.510 4.911 7.892 122 HB3 PRO 20 HB1 PRO 20 9.631 6.608 8.376 123 HG2 PRO 20 HG2 PRO 20 7.393 4.685 8.769 124 HG3 PRO 20 HG1 PRO 20 7.912 6.029 9.797 125 HD2 PRO 20 HD2 PRO 20 5.818 6.025 7.852 126 HD3 PRO 20 HD1 PRO 20 6.403 7.403 8.804 127 H LEU 21 HN LEU 21 6.586 5.980 4.846 128 HA LEU 21 HA LEU 21 6.763 3.119 4.744 129 HB2 LEU 21 HB2 LEU 21 5.017 5.144 3.379 130 HB3 LEU 21 HB1 LEU 21 4.940 3.432 3.010 131 HG LEU 21 HG LEU 21 4.463 4.512 5.793 132 HD11 LEU 21 HD11 LEU 21 2.086 4.262 5.299 133 HD12 LEU 21 HD12 LEU 21 2.481 3.831 3.633 134 HD13 LEU 21 HD13 LEU 21 2.816 5.463 4.227 135 HD21 LEU 21 HD21 LEU 21 3.378 2.358 6.090 136 HD22 LEU 21 HD22 LEU 21 5.060 2.138 5.580 137 HD23 LEU 21 HD23 LEU 21 3.741 1.957 4.413 138 H GLY 22 HN GLY 22 7.079 5.776 2.403 139 HA2 GLY 22 HA2 GLY 22 8.462 5.925 0.536 140 HA3 GLY 22 HA1 GLY 22 9.335 4.526 1.148 141 H HIS 23 HN HIS 23 9.450 3.381 -0.779 142 HA HIS 23 HA HIS 23 6.980 2.889 -2.210 143 HB2 HIS 23 HB2 HIS 23 9.143 3.225 -3.482 144 HB3 HIS 23 HB1 HIS 23 9.730 1.730 -2.768 145 HD1 HIS 23 HD1 HIS 23 7.512 3.040 -5.482 146 HD2 HIS 23 HD2 HIS 23 8.559 -0.564 -3.741 147 HE1 HIS 23 HE1 HIS 23 6.628 1.266 -7.017 148 H GLN 24 HN GLN 24 5.692 1.356 -1.645 149 HA GLN 24 HA GLN 24 6.772 -1.017 -0.261 150 HB2 GLN 24 HB2 GLN 24 4.270 0.536 0.360 151 HB3 GLN 24 HB1 GLN 24 4.652 -1.030 1.048 152 HG2 GLN 24 HG2 GLN 24 6.387 1.398 1.377 153 HG3 GLN 24 HG1 GLN 24 5.105 0.957 2.499 154 HE21 GLN 24 1HE2 GLN 24 6.491 0.682 4.157 155 HE22 GLN 24 2HE2 GLN 24 7.597 -0.647 4.281 156 H CYS 25 HN CYS 25 5.864 -2.958 -0.809 157 HA CYS 25 HA CYS 25 3.724 -2.963 -2.804 158 HB2 CYS 25 HB2 CYS 25 5.980 -4.953 -2.390 159 HB3 CYS 25 HB1 CYS 25 4.639 -5.197 -3.501 160 H PHE 26 HN PHE 26 2.062 -4.608 -2.459 161 HA PHE 26 HA PHE 26 2.013 -5.455 0.381 162 HB2 PHE 26 HB2 PHE 26 -0.336 -4.301 -1.087 163 HB3 PHE 26 HB1 PHE 26 -0.225 -4.688 0.627 164 HD1 PHE 26 HD1 PHE 26 1.718 -3.493 1.892 165 HD2 PHE 26 HD2 PHE 26 -0.006 -2.108 -1.769 166 HE1 PHE 26 HE1 PHE 26 2.555 -1.224 2.324 167 HE2 PHE 26 HE2 PHE 26 0.826 0.081 -1.336 168 HZ PHE 26 HZ PHE 26 2.094 0.570 0.668 169 HA PRO 27 HA PRO 27 0.976 -9.388 -1.702 170 HB2 PRO 27 HB2 PRO 27 1.036 -10.245 1.138 171 HB3 PRO 27 HB1 PRO 27 1.860 -10.940 -0.262 172 HG2 PRO 27 HG2 PRO 27 3.227 -9.545 1.531 173 HG3 PRO 27 HG1 PRO 27 3.570 -9.369 -0.201 174 HD2 PRO 27 HD2 PRO 27 2.023 -7.563 1.616 175 HD3 PRO 27 HD1 PRO 27 3.202 -7.155 0.349 176 H ASP 28 HN ASP 28 -0.637 -7.835 0.996 177 HA ASP 28 HA ASP 28 -3.144 -9.219 0.265 178 HB2 ASP 28 HB2 ASP 28 -2.180 -8.458 3.022 179 HB3 ASP 28 HB1 ASP 28 -3.859 -8.824 2.671 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 -1.343 -6.356 0.059 2 HA2 GLY 1 HA2 GLY 1 -2.547 -4.464 -0.610 3 HA3 GLY 1 HA1 GLY 1 -3.957 -5.098 0.229 4 H PHE 2 HN PHE 2 -3.608 -2.508 0.550 5 HA PHE 2 HA PHE 2 -3.003 -2.232 3.368 6 HB2 PHE 2 HB2 PHE 2 -0.796 -1.912 2.387 7 HB3 PHE 2 HB1 PHE 2 -1.438 -0.729 1.266 8 HD1 PHE 2 HD1 PHE 2 -1.298 -1.318 4.933 9 HD2 PHE 2 HD2 PHE 2 -1.009 1.465 1.743 10 HE1 PHE 2 HE1 PHE 2 -0.706 0.446 6.531 11 HE2 PHE 2 HE2 PHE 2 -0.422 3.229 3.308 12 HZ PHE 2 HZ PHE 2 -0.262 2.739 5.721 13 H CYS 3 HN CYS 3 -4.373 -0.706 4.247 14 HA CYS 3 HA CYS 3 -5.909 0.787 2.307 15 HB2 CYS 3 HB2 CYS 3 -6.691 -0.134 5.076 16 HB3 CYS 3 HB1 CYS 3 -7.709 0.811 3.997 17 H TRP 4 HN TRP 4 -5.906 2.861 2.427 18 HA TRP 4 HA TRP 4 -4.879 4.405 4.614 19 HB2 TRP 4 HB2 TRP 4 -2.767 3.576 3.936 20 HB3 TRP 4 HB1 TRP 4 -3.176 3.688 2.236 21 HD1 TRP 4 HD1 TRP 4 -2.154 5.893 5.191 22 HE1 TRP 4 HE1 TRP 4 -1.119 8.050 4.249 23 HE3 TRP 4 3HE TRP 4 -3.077 5.074 0.274 24 HZ2 TRP 4 HZ2 TRP 4 -0.788 9.225 1.749 25 HZ3 TRP 4 HZ3 TRP 4 -2.376 6.708 -1.365 26 HH2 TRP 4 2HH TRP 4 -1.232 8.790 -0.668 27 H HIS 5 HN HIS 5 -4.951 6.818 4.056 28 HA HIS 5 HA HIS 5 -6.038 8.566 3.307 29 HB2 HIS 5 HB2 HIS 5 -4.327 7.813 1.519 30 HB3 HIS 5 HB1 HIS 5 -5.754 7.468 0.539 31 HD1 HIS 5 HD1 HIS 5 -6.132 9.425 -1.012 32 HD2 HIS 5 HD2 HIS 5 -4.830 10.479 2.763 33 HE1 HIS 5 HE1 HIS 5 -6.031 11.952 -1.029 34 H HIS 6 HN HIS 6 -7.686 6.254 3.935 35 HA HIS 6 HA HIS 6 -9.790 5.541 3.924 36 HB2 HIS 6 HB2 HIS 6 -10.316 8.132 2.459 37 HB3 HIS 6 HB1 HIS 6 -11.593 7.008 2.920 38 HD1 HIS 6 HD1 HIS 6 -12.627 7.488 5.162 39 HD2 HIS 6 HD2 HIS 6 -8.785 9.024 4.821 40 HE1 HIS 6 HE1 HIS 6 -12.203 8.764 7.284 41 H SER 7 HN SER 7 -7.922 5.224 1.570 42 HA SER 7 HA SER 7 -9.843 3.884 -0.191 43 HB2 SER 7 HB2 SER 7 -8.127 4.227 -2.005 44 HB3 SER 7 HB1 SER 7 -8.765 5.738 -1.357 45 HG SER 7 HG SER 7 -6.646 5.200 0.106 46 H CYS 8 HN CYS 8 -8.179 2.077 -1.433 47 HA CYS 8 HA CYS 8 -6.298 1.122 0.471 48 HB2 CYS 8 HB2 CYS 8 -8.542 0.290 1.307 49 HB3 CYS 8 HB1 CYS 8 -8.592 -0.646 -0.204 50 H VAL 9 HN VAL 9 -4.854 0.170 -0.429 51 HA VAL 9 HA VAL 9 -5.052 -0.297 -3.274 52 HB VAL 9 HB VAL 9 -2.561 -0.529 -3.264 53 HG11 VAL 9 HG11 VAL 9 -3.521 1.643 -3.825 54 HG12 VAL 9 HG12 VAL 9 -2.045 1.857 -2.870 55 HG13 VAL 9 3HG1 VAL 9 -3.618 2.046 -2.104 56 HG21 VAL 9 HG21 VAL 9 -2.725 0.458 -0.424 57 HG22 VAL 9 HG22 VAL 9 -1.269 0.326 -1.392 58 HG23 VAL 9 HG23 VAL 9 -2.151 -1.140 -0.943 59 HA PRO 10 HA PRO 10 -5.615 -4.535 -2.378 60 HB2 PRO 10 HB2 PRO 10 -5.548 -5.475 -4.924 61 HB3 PRO 10 HB1 PRO 10 -6.932 -4.614 -4.246 62 HG2 PRO 10 HG2 PRO 10 -4.819 -3.662 -6.100 63 HG3 PRO 10 HG1 PRO 10 -6.528 -3.209 -6.009 64 HD2 PRO 10 HD2 PRO 10 -4.418 -1.711 -5.026 65 HD3 PRO 10 HD1 PRO 10 -6.100 -1.528 -4.515 66 H SER 11 HN SER 11 -4.657 -6.667 -2.786 67 HA SER 11 HA SER 11 -1.924 -6.695 -2.313 68 HB2 SER 11 HB2 SER 11 -2.214 -9.190 -2.763 69 HB3 SER 11 HB1 SER 11 -3.185 -8.489 -1.476 70 HG SER 11 HG SER 11 -4.319 -8.467 -4.025 71 H GLY 12 HN GLY 12 -0.229 -6.705 -3.576 72 HA2 GLY 12 HA2 GLY 12 0.936 -7.391 -5.563 73 HA3 GLY 12 HA1 GLY 12 -0.574 -7.228 -6.451 74 H THR 13 HN THR 13 -0.853 -4.689 -4.638 75 HA THR 13 HA THR 13 0.105 -2.923 -6.662 76 HB THR 13 HB THR 13 -1.254 -2.451 -4.049 77 HG1 THR 13 HG1 THR 13 -2.193 -3.539 -6.057 78 HG21 THR 13 HG21 THR 13 -1.912 -0.183 -5.017 79 HG22 THR 13 HG22 THR 13 -0.693 -0.443 -6.261 80 HG23 THR 13 HG23 THR 13 -0.229 -0.366 -4.559 81 H CYS 14 HN CYS 14 1.359 -1.197 -6.264 82 HA CYS 14 HA CYS 14 3.308 -1.171 -4.112 83 HB2 CYS 14 HB2 CYS 14 4.051 -1.237 -7.059 84 HB3 CYS 14 HB1 CYS 14 5.166 -0.920 -5.742 85 H ALA 15 HN ALA 15 3.532 0.919 -3.549 86 HA ALA 15 HA ALA 15 3.152 2.990 -5.539 87 HB1 ALA 15 HB1 ALA 15 0.853 2.519 -4.827 88 HB2 ALA 15 HB2 ALA 15 1.366 4.130 -4.320 89 HB3 ALA 15 HB3 ALA 15 1.312 2.813 -3.150 90 H ASP 16 HN ASP 16 3.323 5.167 -4.426 91 HA ASP 16 HA ASP 16 5.558 5.034 -2.544 92 HB2 ASP 16 HB2 ASP 16 6.082 6.202 -4.584 93 HB3 ASP 16 HB1 ASP 16 4.638 7.194 -4.433 94 H PHE 17 HN PHE 17 5.160 5.434 -0.557 95 HA PHE 17 HA PHE 17 2.907 7.152 0.234 96 HB2 PHE 17 HB2 PHE 17 4.141 4.773 1.636 97 HB3 PHE 17 HB1 PHE 17 2.863 5.718 2.324 98 HD1 PHE 17 HD1 PHE 17 0.551 5.481 1.533 99 HD2 PHE 17 HD2 PHE 17 3.715 3.275 -0.270 100 HE1 PHE 17 HE1 PHE 17 -1.066 4.069 0.397 101 HE2 PHE 17 HE2 PHE 17 2.109 1.889 -1.389 102 HZ PHE 17 HZ PHE 17 -0.309 2.268 -1.075 103 HA PRO 18 HA PRO 18 5.851 9.704 2.422 104 HB2 PRO 18 HB2 PRO 18 4.332 9.314 4.941 105 HB3 PRO 18 HB1 PRO 18 4.715 10.816 4.097 106 HG2 PRO 18 HG2 PRO 18 2.250 9.854 4.050 107 HG3 PRO 18 HG1 PRO 18 2.967 10.569 2.593 108 HD2 PRO 18 HD2 PRO 18 2.624 7.673 3.307 109 HD3 PRO 18 HD1 PRO 18 2.327 8.488 1.758 110 H TRP 19 HN TRP 19 7.447 9.700 4.160 111 HA TRP 19 HA TRP 19 8.584 7.110 4.601 112 HB2 TRP 19 HB2 TRP 19 9.806 9.336 4.290 113 HB3 TRP 19 HB1 TRP 19 9.341 9.717 5.944 114 HD1 TRP 19 HD1 TRP 19 11.617 7.399 3.914 115 HE1 TRP 19 HE1 TRP 19 13.404 6.425 5.473 116 HE3 TRP 19 3HE TRP 19 9.830 9.179 8.254 117 HZ2 TRP 19 HZ2 TRP 19 14.005 6.463 8.255 118 HZ3 TRP 19 HZ3 TRP 19 11.052 8.707 10.377 119 HH2 TRP 19 2HH TRP 19 13.099 7.365 10.360 120 HA PRO 20 HA PRO 20 9.780 5.996 5.967 121 HB2 PRO 20 HB2 PRO 20 9.911 3.907 7.566 122 HB3 PRO 20 HB1 PRO 20 10.310 5.524 8.162 123 HG2 PRO 20 HG2 PRO 20 7.877 3.881 8.641 124 HG3 PRO 20 HG1 PRO 20 8.678 5.043 9.711 125 HD2 PRO 20 HD2 PRO 20 6.415 5.494 8.031 126 HD3 PRO 20 HD1 PRO 20 7.292 6.699 8.993 127 H LEU 21 HN LEU 21 6.838 5.536 4.975 128 HA LEU 21 HA LEU 21 6.899 2.717 4.475 129 HB2 LEU 21 HB2 LEU 21 5.105 4.949 3.550 130 HB3 LEU 21 HB1 LEU 21 4.932 3.300 2.980 131 HG LEU 21 HG LEU 21 4.719 4.062 5.902 132 HD11 LEU 21 HD11 LEU 21 2.551 3.611 3.862 133 HD12 LEU 21 HD12 LEU 21 2.952 5.172 4.593 134 HD13 LEU 21 HD13 LEU 21 2.307 3.862 5.589 135 HD21 LEU 21 HD21 LEU 21 3.639 1.888 6.068 136 HD22 LEU 21 HD22 LEU 21 5.274 1.718 5.408 137 HD23 LEU 21 HD23 LEU 21 3.865 1.656 4.337 138 H GLY 22 HN GLY 22 7.100 5.670 2.474 139 HA2 GLY 22 HA2 GLY 22 8.271 6.054 0.530 140 HA3 GLY 22 HA1 GLY 22 9.248 4.642 0.927 141 H HIS 23 HN HIS 23 9.249 3.628 -1.041 142 HA HIS 23 HA HIS 23 6.718 3.158 -2.360 143 HB2 HIS 23 HB2 HIS 23 8.819 3.559 -3.708 144 HB3 HIS 23 HB1 HIS 23 9.452 2.047 -3.075 145 HD1 HIS 23 HD1 HIS 23 7.250 3.436 -5.704 146 HD2 HIS 23 HD2 HIS 23 8.140 -0.216 -4.004 147 HE1 HIS 23 HE1 HIS 23 6.324 1.712 -7.292 148 H GLN 24 HN GLN 24 5.483 1.604 -1.754 149 HA GLN 24 HA GLN 24 6.659 -0.715 -0.384 150 HB2 GLN 24 HB2 GLN 24 4.151 0.808 0.215 151 HB3 GLN 24 HB1 GLN 24 4.475 -0.789 0.866 152 HG2 GLN 24 HG2 GLN 24 6.296 1.561 1.275 153 HG3 GLN 24 HG1 GLN 24 4.992 1.115 2.381 154 HE21 GLN 24 1HE2 GLN 24 5.190 -0.713 3.562 155 HE22 GLN 24 2HE2 GLN 24 6.709 -1.514 3.755 156 H CYS 25 HN CYS 25 5.983 -2.672 -1.011 157 HA CYS 25 HA CYS 25 3.775 -2.832 -2.923 158 HB2 CYS 25 HB2 CYS 25 6.176 -4.636 -2.560 159 HB3 CYS 25 HB1 CYS 25 4.803 -5.059 -3.576 160 H PHE 26 HN PHE 26 2.120 -4.241 -2.450 161 HA PHE 26 HA PHE 26 2.166 -5.176 0.354 162 HB2 PHE 26 HB2 PHE 26 -0.177 -4.133 -1.184 163 HB3 PHE 26 HB1 PHE 26 -0.140 -4.533 0.525 164 HD1 PHE 26 HD1 PHE 26 1.563 -3.257 1.963 165 HD2 PHE 26 HD2 PHE 26 0.250 -2.030 -1.895 166 HE1 PHE 26 HE1 PHE 26 2.273 -0.952 2.436 167 HE2 PHE 26 HE2 PHE 26 0.946 0.218 -1.429 168 HZ PHE 26 HZ PHE 26 1.945 0.791 0.692 169 HA PRO 27 HA PRO 27 1.199 -9.099 -1.770 170 HB2 PRO 27 HB2 PRO 27 1.719 -10.179 0.915 171 HB3 PRO 27 HB1 PRO 27 2.493 -10.583 -0.618 172 HG2 PRO 27 HG2 PRO 27 3.785 -9.208 1.291 173 HG3 PRO 27 HG1 PRO 27 4.049 -8.878 -0.429 174 HD2 PRO 27 HD2 PRO 27 2.389 -7.382 1.555 175 HD3 PRO 27 HD1 PRO 27 3.471 -6.766 0.283 176 H ASP 28 HN ASP 28 -0.099 -7.593 1.019 177 HA ASP 28 HA ASP 28 -2.518 -9.263 0.866 178 HB2 ASP 28 HB2 ASP 28 -1.239 -9.709 2.943 179 HB3 ASP 28 HB1 ASP 28 -1.281 -8.002 3.340 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 -1.334 -6.157 -0.026 2 HA2 GLY 1 HA2 GLY 1 -2.434 -4.254 -0.757 3 HA3 GLY 1 HA1 GLY 1 -3.889 -4.833 0.049 4 H PHE 2 HN PHE 2 -3.564 -2.262 0.329 5 HA PHE 2 HA PHE 2 -2.968 -2.000 3.157 6 HB2 PHE 2 HB2 PHE 2 -0.812 -1.490 2.134 7 HB3 PHE 2 HB1 PHE 2 -1.564 -0.306 1.085 8 HD1 PHE 2 HD1 PHE 2 -1.569 -1.024 4.732 9 HD2 PHE 2 HD2 PHE 2 -1.042 1.852 1.651 10 HE1 PHE 2 HE1 PHE 2 -1.100 0.693 6.416 11 HE2 PHE 2 HE2 PHE 2 -0.570 3.577 3.328 12 HZ PHE 2 HZ PHE 2 -0.598 3.003 5.719 13 H CYS 3 HN CYS 3 -4.519 -0.819 4.059 14 HA CYS 3 HA CYS 3 -6.184 0.731 2.283 15 HB2 CYS 3 HB2 CYS 3 -6.841 -0.487 4.974 16 HB3 CYS 3 HB1 CYS 3 -7.952 0.382 3.930 17 H TRP 4 HN TRP 4 -6.175 2.753 2.487 18 HA TRP 4 HA TRP 4 -5.284 4.183 4.833 19 HB2 TRP 4 HB2 TRP 4 -3.141 3.748 4.095 20 HB3 TRP 4 HB1 TRP 4 -3.634 3.607 2.420 21 HD1 TRP 4 HD1 TRP 4 -2.649 6.188 5.026 22 HE1 TRP 4 HE1 TRP 4 -2.007 8.349 3.783 23 HE3 TRP 4 3HE TRP 4 -3.982 4.805 0.334 24 HZ2 TRP 4 HZ2 TRP 4 -2.110 9.297 1.251 25 HZ3 TRP 4 HZ3 TRP 4 -3.679 6.372 -1.497 26 HH2 TRP 4 2HH TRP 4 -2.742 8.620 -1.089 27 H HIS 5 HN HIS 5 -5.524 6.589 4.463 28 HA HIS 5 HA HIS 5 -7.155 8.146 4.183 29 HB2 HIS 5 HB2 HIS 5 -5.608 7.758 1.736 30 HB3 HIS 5 HB1 HIS 5 -6.989 8.874 1.592 31 HD1 HIS 5 HD1 HIS 5 -4.925 10.628 1.150 32 HD2 HIS 5 HD2 HIS 5 -5.260 9.075 4.990 33 HE1 HIS 5 HE1 HIS 5 -3.534 12.124 2.639 34 H HIS 6 HN HIS 6 -8.560 5.928 4.391 35 HA HIS 6 HA HIS 6 -10.588 4.988 4.099 36 HB2 HIS 6 HB2 HIS 6 -11.191 7.660 2.823 37 HB3 HIS 6 HB1 HIS 6 -12.422 6.436 3.106 38 HD1 HIS 6 HD1 HIS 6 -13.162 6.065 5.587 39 HD2 HIS 6 HD2 HIS 6 -10.287 9.012 5.069 40 HE1 HIS 6 HE1 HIS 6 -13.070 7.338 7.762 41 H SER 7 HN SER 7 -8.540 4.853 1.914 42 HA SER 7 HA SER 7 -10.258 3.618 -0.097 43 HB2 SER 7 HB2 SER 7 -7.643 5.110 -0.507 44 HB3 SER 7 HB1 SER 7 -8.625 4.368 -1.772 45 HG SER 7 HG SER 7 -9.132 6.653 -0.214 46 H CYS 8 HN CYS 8 -8.556 1.994 -1.348 47 HA CYS 8 HA CYS 8 -6.468 1.128 0.431 48 HB2 CYS 8 HB2 CYS 8 -8.571 0.071 1.307 49 HB3 CYS 8 HB1 CYS 8 -8.672 -0.773 -0.254 50 H VAL 9 HN VAL 9 -4.969 0.195 -0.529 51 HA VAL 9 HA VAL 9 -5.202 -0.082 -3.417 52 HB VAL 9 HB VAL 9 -2.726 -0.270 -3.526 53 HG11 VAL 9 HG11 VAL 9 -3.634 1.957 -3.740 54 HG12 VAL 9 HG12 VAL 9 -2.106 1.988 -2.844 55 HG13 VAL 9 3HG1 VAL 9 -3.638 2.136 -1.974 56 HG21 VAL 9 HG21 VAL 9 -2.751 0.243 -0.563 57 HG22 VAL 9 HG22 VAL 9 -1.325 0.286 -1.588 58 HG23 VAL 9 HG23 VAL 9 -2.193 -1.238 -1.361 59 HA PRO 10 HA PRO 10 -5.817 -4.375 -2.936 60 HB2 PRO 10 HB2 PRO 10 -5.216 -5.166 -5.487 61 HB3 PRO 10 HB1 PRO 10 -6.749 -4.424 -5.029 62 HG2 PRO 10 HG2 PRO 10 -4.380 -3.224 -6.369 63 HG3 PRO 10 HG1 PRO 10 -6.102 -2.895 -6.624 64 HD2 PRO 10 HD2 PRO 10 -4.429 -1.274 -5.203 65 HD3 PRO 10 HD1 PRO 10 -6.172 -1.363 -4.905 66 H SER 11 HN SER 11 -4.712 -6.452 -3.076 67 HA SER 11 HA SER 11 -2.027 -6.272 -2.303 68 HB2 SER 11 HB2 SER 11 -3.468 -8.768 -3.201 69 HB3 SER 11 HB1 SER 11 -2.188 -8.568 -1.983 70 HG SER 11 HG SER 11 -4.643 -8.687 -1.439 71 H GLY 12 HN GLY 12 -0.201 -6.689 -3.451 72 HA2 GLY 12 HA2 GLY 12 0.990 -7.531 -5.335 73 HA3 GLY 12 HA1 GLY 12 -0.468 -7.329 -6.307 74 H THR 13 HN THR 13 -0.681 -4.726 -4.643 75 HA THR 13 HA THR 13 0.435 -3.043 -6.672 76 HB THR 13 HB THR 13 -0.941 -2.403 -4.085 77 HG1 THR 13 HG1 THR 13 -2.490 -3.267 -5.117 78 HG21 THR 13 HG21 THR 13 -0.514 -0.638 -6.516 79 HG22 THR 13 HG22 THR 13 0.176 -0.417 -4.895 80 HG23 THR 13 HG23 THR 13 -1.553 -0.245 -5.142 81 H CYS 14 HN CYS 14 1.757 -1.328 -6.207 82 HA CYS 14 HA CYS 14 3.445 -1.274 -3.864 83 HB2 CYS 14 HB2 CYS 14 4.518 -1.316 -6.724 84 HB3 CYS 14 HB1 CYS 14 5.479 -0.992 -5.290 85 H ALA 15 HN ALA 15 3.566 0.846 -3.306 86 HA ALA 15 HA ALA 15 2.936 2.801 -5.373 87 HB1 ALA 15 HB1 ALA 15 0.783 2.188 -4.373 88 HB2 ALA 15 HB2 ALA 15 1.214 3.863 -4.028 89 HB3 ALA 15 HB3 ALA 15 1.403 2.631 -2.782 90 H ASP 16 HN ASP 16 3.232 4.988 -4.635 91 HA ASP 16 HA ASP 16 5.669 5.170 -3.081 92 HB2 ASP 16 HB2 ASP 16 5.578 6.269 -5.257 93 HB3 ASP 16 HB1 ASP 16 4.176 7.197 -4.745 94 H PHE 17 HN PHE 17 5.399 5.420 -0.977 95 HA PHE 17 HA PHE 17 3.459 7.411 -0.120 96 HB2 PHE 17 HB2 PHE 17 4.277 4.880 1.374 97 HB3 PHE 17 HB1 PHE 17 3.378 6.156 2.066 98 HD1 PHE 17 HD1 PHE 17 1.175 6.870 1.140 99 HD2 PHE 17 HD2 PHE 17 2.955 3.133 0.024 100 HE1 PHE 17 HE1 PHE 17 -0.988 6.014 0.412 101 HE2 PHE 17 HE2 PHE 17 0.831 2.335 -0.673 102 HZ PHE 17 HZ PHE 17 -1.176 3.748 -0.502 103 HA PRO 18 HA PRO 18 6.924 9.442 1.771 104 HB2 PRO 18 HB2 PRO 18 5.461 9.935 4.258 105 HB3 PRO 18 HB1 PRO 18 5.966 11.092 3.025 106 HG2 PRO 18 HG2 PRO 18 3.374 10.446 3.404 107 HG3 PRO 18 HG1 PRO 18 4.034 10.848 1.811 108 HD2 PRO 18 HD2 PRO 18 3.451 8.129 2.970 109 HD3 PRO 18 HD1 PRO 18 3.124 8.776 1.348 110 H TRP 19 HN TRP 19 8.442 9.336 3.540 111 HA TRP 19 HA TRP 19 9.049 6.782 4.526 112 HB2 TRP 19 HB2 TRP 19 10.595 8.780 4.267 113 HB3 TRP 19 HB1 TRP 19 9.837 9.453 5.701 114 HD1 TRP 19 HD1 TRP 19 12.312 6.762 4.598 115 HE1 TRP 19 HE1 TRP 19 13.578 5.903 6.666 116 HE3 TRP 19 3HE TRP 19 9.617 9.110 8.168 117 HZ2 TRP 19 HZ2 TRP 19 13.450 6.208 9.476 118 HZ3 TRP 19 HZ3 TRP 19 10.235 8.802 10.561 119 HH2 TRP 19 2HH TRP 19 12.116 7.371 11.186 120 HA PRO 20 HA PRO 20 9.811 5.685 6.164 121 HB2 PRO 20 HB2 PRO 20 9.217 3.666 7.861 122 HB3 PRO 20 HB1 PRO 20 10.029 5.149 8.364 123 HG2 PRO 20 HG2 PRO 20 7.315 4.241 8.967 124 HG3 PRO 20 HG1 PRO 20 8.256 5.528 9.728 125 HD2 PRO 20 HD2 PRO 20 6.182 5.726 7.694 126 HD3 PRO 20 HD1 PRO 20 6.959 7.022 8.622 127 H LEU 21 HN LEU 21 6.870 5.546 4.890 128 HA LEU 21 HA LEU 21 6.671 2.732 4.460 129 HB2 LEU 21 HB2 LEU 21 5.253 5.112 3.274 130 HB3 LEU 21 HB1 LEU 21 4.853 3.446 2.900 131 HG LEU 21 HG LEU 21 4.659 4.639 5.675 132 HD11 LEU 21 HD11 LEU 21 2.505 4.165 3.616 133 HD12 LEU 21 HD12 LEU 21 3.070 5.739 4.185 134 HD13 LEU 21 HD13 LEU 21 2.239 4.645 5.290 135 HD21 LEU 21 HD21 LEU 21 3.331 2.663 6.128 136 HD22 LEU 21 HD22 LEU 21 4.952 2.208 5.584 137 HD23 LEU 21 HD23 LEU 21 3.576 2.124 4.470 138 H GLY 22 HN GLY 22 7.303 5.582 2.415 139 HA2 GLY 22 HA2 GLY 22 8.676 5.813 0.576 140 HA3 GLY 22 HA1 GLY 22 9.454 4.307 1.063 141 H HIS 23 HN HIS 23 9.518 3.256 -0.861 142 HA HIS 23 HA HIS 23 7.062 2.979 -2.379 143 HB2 HIS 23 HB2 HIS 23 9.331 3.245 -3.548 144 HB3 HIS 23 HB1 HIS 23 9.747 1.667 -2.911 145 HD1 HIS 23 HD1 HIS 23 7.629 3.320 -5.563 146 HD2 HIS 23 HD2 HIS 23 8.592 -0.461 -4.155 147 HE1 HIS 23 HE1 HIS 23 6.781 1.707 -7.295 148 H GLN 24 HN GLN 24 5.747 1.778 -1.277 149 HA GLN 24 HA GLN 24 6.658 -0.656 0.083 150 HB2 GLN 24 HB2 GLN 24 4.166 0.986 0.238 151 HB3 GLN 24 HB1 GLN 24 4.297 -0.599 0.968 152 HG2 GLN 24 HG2 GLN 24 6.127 1.679 1.624 153 HG3 GLN 24 HG1 GLN 24 4.611 1.334 2.465 154 HE21 GLN 24 1HE2 GLN 24 4.502 -0.439 3.794 155 HE22 GLN 24 2HE2 GLN 24 5.919 -1.295 4.267 156 H CYS 25 HN CYS 25 6.196 -2.580 -0.731 157 HA CYS 25 HA CYS 25 4.078 -2.780 -2.708 158 HB2 CYS 25 HB2 CYS 25 6.388 -4.611 -2.048 159 HB3 CYS 25 HB1 CYS 25 5.067 -5.062 -3.123 160 H PHE 26 HN PHE 26 2.399 -4.210 -2.392 161 HA PHE 26 HA PHE 26 2.072 -4.903 0.453 162 HB2 PHE 26 HB2 PHE 26 -0.073 -3.858 -1.378 163 HB3 PHE 26 HB1 PHE 26 -0.193 -4.145 0.350 164 HD1 PHE 26 HD1 PHE 26 0.459 -1.772 -2.184 165 HD2 PHE 26 HD2 PHE 26 1.379 -2.795 1.841 166 HE1 PHE 26 HE1 PHE 26 1.146 0.515 -1.773 167 HE2 PHE 26 HE2 PHE 26 2.058 -0.476 2.265 168 HZ PHE 26 HZ PHE 26 1.939 1.177 0.442 169 HA PRO 27 HA PRO 27 1.069 -8.778 -1.811 170 HB2 PRO 27 HB2 PRO 27 1.753 -10.014 0.766 171 HB3 PRO 27 HB1 PRO 27 2.458 -10.307 -0.827 172 HG2 PRO 27 HG2 PRO 27 3.829 -9.046 1.109 173 HG3 PRO 27 HG1 PRO 27 4.010 -8.610 -0.601 174 HD2 PRO 27 HD2 PRO 27 2.390 -7.268 1.533 175 HD3 PRO 27 HD1 PRO 27 3.451 -6.540 0.302 176 H ASP 28 HN ASP 28 -0.033 -7.268 0.990 177 HA ASP 28 HA ASP 28 -2.464 -8.948 1.110 178 HB2 ASP 28 HB2 ASP 28 -1.060 -9.125 3.153 179 HB3 ASP 28 HB1 ASP 28 -1.140 -7.387 3.351 Start of MODEL 20 1 H1 GLY 1 HN GLY 1 -1.392 -6.432 0.144 2 HA2 GLY 1 HA2 GLY 1 -2.630 -4.621 -0.685 3 HA3 GLY 1 HA1 GLY 1 -4.068 -5.284 0.088 4 H PHE 2 HN PHE 2 -3.584 -2.582 0.302 5 HA PHE 2 HA PHE 2 -3.126 -2.325 3.173 6 HB2 PHE 2 HB2 PHE 2 -0.914 -1.993 2.274 7 HB3 PHE 2 HB1 PHE 2 -1.520 -0.852 1.094 8 HD1 PHE 2 HD1 PHE 2 -1.873 -1.168 4.798 9 HD2 PHE 2 HD2 PHE 2 -0.698 1.234 1.501 10 HE1 PHE 2 HE1 PHE 2 -1.289 0.652 6.335 11 HE2 PHE 2 HE2 PHE 2 -0.118 3.054 3.010 12 HZ PHE 2 HZ PHE 2 -0.404 2.777 5.446 13 H CYS 3 HN CYS 3 -4.639 -1.000 4.013 14 HA CYS 3 HA CYS 3 -6.005 0.718 2.149 15 HB2 CYS 3 HB2 CYS 3 -6.901 -0.336 4.831 16 HB3 CYS 3 HB1 CYS 3 -7.850 0.729 3.798 17 H TRP 4 HN TRP 4 -5.806 2.732 2.316 18 HA TRP 4 HA TRP 4 -4.763 4.096 4.649 19 HB2 TRP 4 HB2 TRP 4 -2.697 3.342 3.794 20 HB3 TRP 4 HB1 TRP 4 -3.207 3.555 2.131 21 HD1 TRP 4 HD1 TRP 4 -2.026 5.597 5.152 22 HE1 TRP 4 HE1 TRP 4 -1.075 7.831 4.267 23 HE3 TRP 4 3HE TRP 4 -3.191 5.033 0.252 24 HZ2 TRP 4 HZ2 TRP 4 -0.886 9.135 1.840 25 HZ3 TRP 4 HZ3 TRP 4 -2.599 6.764 -1.326 26 HH2 TRP 4 2HH TRP 4 -1.448 8.827 -0.574 27 H HIS 5 HN HIS 5 -4.826 6.516 4.319 28 HA HIS 5 HA HIS 5 -5.924 8.346 3.838 29 HB2 HIS 5 HB2 HIS 5 -4.382 7.768 1.802 30 HB3 HIS 5 HB1 HIS 5 -5.916 7.607 0.952 31 HD1 HIS 5 HD1 HIS 5 -6.507 9.756 -0.200 32 HD2 HIS 5 HD2 HIS 5 -4.536 10.260 3.393 33 HE1 HIS 5 HE1 HIS 5 -6.325 12.250 0.116 34 H HIS 6 HN HIS 6 -7.634 5.979 4.281 35 HA HIS 6 HA HIS 6 -9.805 5.332 4.251 36 HB2 HIS 6 HB2 HIS 6 -10.265 8.102 3.111 37 HB3 HIS 6 HB1 HIS 6 -11.575 6.988 3.463 38 HD1 HIS 6 HD1 HIS 6 -12.596 7.339 5.713 39 HD2 HIS 6 HD2 HIS 6 -8.645 8.617 5.564 40 HE1 HIS 6 HE1 HIS 6 -12.105 8.376 7.969 41 H SER 7 HN SER 7 -7.975 5.158 1.902 42 HA SER 7 HA SER 7 -9.912 4.139 -0.020 43 HB2 SER 7 HB2 SER 7 -8.692 6.149 -0.878 44 HB3 SER 7 HB1 SER 7 -7.161 5.382 -0.478 45 HG SER 7 HG SER 7 -7.232 4.639 -2.372 46 H CYS 8 HN CYS 8 -8.141 2.518 -1.401 47 HA CYS 8 HA CYS 8 -6.360 1.256 0.415 48 HB2 CYS 8 HB2 CYS 8 -8.689 0.385 1.056 49 HB3 CYS 8 HB1 CYS 8 -8.683 -0.402 -0.527 50 H VAL 9 HN VAL 9 -5.007 -0.051 -0.525 51 HA VAL 9 HA VAL 9 -5.204 -0.223 -3.416 52 HB VAL 9 HB VAL 9 -2.715 -0.436 -3.478 53 HG11 VAL 9 HG11 VAL 9 -3.695 1.734 -3.974 54 HG12 VAL 9 HG12 VAL 9 -2.181 1.923 -3.059 55 HG13 VAL 9 3HG1 VAL 9 -3.723 2.118 -2.239 56 HG21 VAL 9 HG21 VAL 9 -2.240 -1.078 -1.161 57 HG22 VAL 9 HG22 VAL 9 -2.744 0.550 -0.627 58 HG23 VAL 9 HG23 VAL 9 -1.345 0.358 -1.652 59 HA PRO 10 HA PRO 10 -5.744 -4.500 -2.681 60 HB2 PRO 10 HB2 PRO 10 -5.366 -5.408 -5.227 61 HB3 PRO 10 HB1 PRO 10 -6.839 -4.596 -4.692 62 HG2 PRO 10 HG2 PRO 10 -4.540 -3.518 -6.248 63 HG3 PRO 10 HG1 PRO 10 -6.268 -3.170 -6.410 64 HD2 PRO 10 HD2 PRO 10 -4.481 -1.518 -5.163 65 HD3 PRO 10 HD1 PRO 10 -6.203 -1.543 -4.770 66 H SER 11 HN SER 11 -4.677 -6.620 -3.005 67 HA SER 11 HA SER 11 -1.979 -6.488 -2.270 68 HB2 SER 11 HB2 SER 11 -2.230 -9.038 -2.563 69 HB3 SER 11 HB1 SER 11 -3.190 -8.234 -1.328 70 HG SER 11 HG SER 11 -3.975 -9.163 -3.875 71 H GLY 12 HN GLY 12 -0.182 -6.667 -3.413 72 HA2 GLY 12 HA2 GLY 12 1.055 -7.501 -5.323 73 HA3 GLY 12 HA1 GLY 12 -0.406 -7.296 -6.285 74 H THR 13 HN THR 13 -0.814 -4.736 -4.717 75 HA THR 13 HA THR 13 0.227 -3.005 -6.689 76 HB THR 13 HB THR 13 -1.023 -2.388 -4.040 77 HG1 THR 13 HG1 THR 13 -2.600 -3.337 -5.025 78 HG21 THR 13 HG21 THR 13 -1.769 -0.239 -5.130 79 HG22 THR 13 HG22 THR 13 -0.708 -0.617 -6.487 80 HG23 THR 13 HG23 THR 13 -0.038 -0.368 -4.871 81 H CYS 14 HN CYS 14 1.518 -1.277 -6.359 82 HA CYS 14 HA CYS 14 3.410 -1.142 -4.169 83 HB2 CYS 14 HB2 CYS 14 4.184 -1.261 -7.104 84 HB3 CYS 14 HB1 CYS 14 5.280 -0.866 -5.789 85 H ALA 15 HN ALA 15 3.729 0.988 -3.722 86 HA ALA 15 HA ALA 15 3.278 2.971 -5.754 87 HB1 ALA 15 HB1 ALA 15 1.468 4.142 -4.618 88 HB2 ALA 15 HB2 ALA 15 1.414 2.888 -3.381 89 HB3 ALA 15 HB3 ALA 15 0.973 2.503 -5.043 90 H ASP 16 HN ASP 16 3.550 5.230 -4.836 91 HA ASP 16 HA ASP 16 5.674 5.190 -2.947 92 HB2 ASP 16 HB2 ASP 16 5.863 7.556 -3.595 93 HB3 ASP 16 HB1 ASP 16 6.071 6.461 -4.956 94 H PHE 17 HN PHE 17 5.366 5.614 -0.932 95 HA PHE 17 HA PHE 17 3.102 7.255 -0.096 96 HB2 PHE 17 HB2 PHE 17 4.249 4.812 1.327 97 HB3 PHE 17 HB1 PHE 17 2.978 5.803 1.955 98 HD1 PHE 17 HD1 PHE 17 0.672 5.759 0.969 99 HD2 PHE 17 HD2 PHE 17 3.753 3.157 -0.454 100 HE1 PHE 17 HE1 PHE 17 -0.975 4.406 -0.170 101 HE2 PHE 17 HE2 PHE 17 2.095 1.840 -1.580 102 HZ PHE 17 HZ PHE 17 -0.286 2.441 -1.454 103 HA PRO 18 HA PRO 18 6.266 9.535 2.056 104 HB2 PRO 18 HB2 PRO 18 4.755 9.803 4.519 105 HB3 PRO 18 HB1 PRO 18 5.076 11.024 3.289 106 HG2 PRO 18 HG2 PRO 18 2.615 9.957 3.751 107 HG3 PRO 18 HG1 PRO 18 3.128 10.601 2.182 108 HD2 PRO 18 HD2 PRO 18 2.946 7.756 3.100 109 HD3 PRO 18 HD1 PRO 18 2.559 8.467 1.519 110 H TRP 19 HN TRP 19 7.718 9.545 3.868 111 HA TRP 19 HA TRP 19 8.670 7.100 4.830 112 HB2 TRP 19 HB2 TRP 19 9.867 9.331 4.789 113 HB3 TRP 19 HB1 TRP 19 8.899 9.808 6.169 114 HD1 TRP 19 HD1 TRP 19 11.875 7.637 5.212 115 HE1 TRP 19 HE1 TRP 19 13.089 6.899 7.337 116 HE3 TRP 19 3HE TRP 19 8.512 9.281 8.603 117 HZ2 TRP 19 HZ2 TRP 19 12.673 7.010 10.144 118 HZ3 TRP 19 HZ3 TRP 19 8.970 8.947 11.029 119 HH2 TRP 19 2HH TRP 19 11.013 7.827 11.767 120 HA PRO 20 HA PRO 20 9.430 5.973 6.358 121 HB2 PRO 20 HB2 PRO 20 9.181 3.897 7.982 122 HB3 PRO 20 HB1 PRO 20 9.541 5.508 8.614 123 HG2 PRO 20 HG2 PRO 20 7.010 3.960 8.725 124 HG3 PRO 20 HG1 PRO 20 7.634 5.175 9.850 125 HD2 PRO 20 HD2 PRO 20 5.725 5.545 7.745 126 HD3 PRO 20 HD1 PRO 20 6.400 6.782 8.823 127 H LEU 21 HN LEU 21 6.651 5.549 4.920 128 HA LEU 21 HA LEU 21 6.731 2.714 4.440 129 HB2 LEU 21 HB2 LEU 21 5.070 4.963 3.332 130 HB3 LEU 21 HB1 LEU 21 4.916 3.306 2.787 131 HG LEU 21 HG LEU 21 4.448 4.152 5.657 132 HD11 LEU 21 HD11 LEU 21 2.074 3.989 5.127 133 HD12 LEU 21 HD12 LEU 21 2.471 3.657 3.442 134 HD13 LEU 21 HD13 LEU 21 2.833 5.244 4.137 135 HD21 LEU 21 HD21 LEU 21 4.999 1.787 5.276 136 HD22 LEU 21 HD22 LEU 21 3.682 1.716 4.095 137 HD23 LEU 21 HD23 LEU 21 3.322 2.018 5.793 138 H GLY 22 HN GLY 22 7.098 5.659 2.467 139 HA2 GLY 22 HA2 GLY 22 8.409 6.050 0.612 140 HA3 GLY 22 HA1 GLY 22 9.331 4.615 1.059 141 H HIS 23 HN HIS 23 9.449 3.452 -0.790 142 HA HIS 23 HA HIS 23 7.025 3.106 -2.346 143 HB2 HIS 23 HB2 HIS 23 9.229 3.346 -3.551 144 HB3 HIS 23 HB1 HIS 23 9.760 1.860 -2.778 145 HD1 HIS 23 HD1 HIS 23 7.527 3.122 -5.497 146 HD2 HIS 23 HD2 HIS 23 8.719 -0.442 -3.795 147 HE1 HIS 23 HE1 HIS 23 6.686 1.309 -7.047 148 H GLN 24 HN GLN 24 5.650 1.682 -1.697 149 HA GLN 24 HA GLN 24 6.634 -0.702 -0.281 150 HB2 GLN 24 HB2 GLN 24 4.163 0.928 0.189 151 HB3 GLN 24 HB1 GLN 24 4.400 -0.675 0.857 152 HG2 GLN 24 HG2 GLN 24 6.228 1.652 1.379 153 HG3 GLN 24 HG1 GLN 24 4.888 1.165 2.421 154 HE21 GLN 24 1HE2 GLN 24 5.053 -0.723 3.549 155 HE22 GLN 24 2HE2 GLN 24 6.574 -1.497 3.791 156 H CYS 25 HN CYS 25 5.812 -2.615 -0.826 157 HA CYS 25 HA CYS 25 3.696 -2.710 -2.819 158 HB2 CYS 25 HB2 CYS 25 6.032 -4.620 -2.427 159 HB3 CYS 25 HB1 CYS 25 4.684 -4.902 -3.519 160 H PHE 26 HN PHE 26 2.129 -4.384 -2.432 161 HA PHE 26 HA PHE 26 2.095 -5.097 0.438 162 HB2 PHE 26 HB2 PHE 26 -0.263 -4.168 -1.163 163 HB3 PHE 26 HB1 PHE 26 -0.208 -4.473 0.569 164 HD1 PHE 26 HD1 PHE 26 1.553 -3.128 1.884 165 HD2 PHE 26 HD2 PHE 26 0.071 -2.022 -1.958 166 HE1 PHE 26 HE1 PHE 26 2.278 -0.808 2.246 167 HE2 PHE 26 HE2 PHE 26 0.793 0.233 -1.591 168 HZ PHE 26 HZ PHE 26 1.886 0.868 0.477 169 HA PRO 27 HA PRO 27 1.311 -9.149 -1.513 170 HB2 PRO 27 HB2 PRO 27 1.719 -9.983 1.294 171 HB3 PRO 27 HB1 PRO 27 2.502 -10.581 -0.171 172 HG2 PRO 27 HG2 PRO 27 3.824 -9.048 1.566 173 HG3 PRO 27 HG1 PRO 27 4.073 -8.878 -0.179 174 HD2 PRO 27 HD2 PRO 27 2.470 -7.178 1.684 175 HD3 PRO 27 HD1 PRO 27 3.522 -6.694 0.335 176 H ASP 28 HN ASP 28 -0.107 -7.585 1.256 177 HA ASP 28 HA ASP 28 -2.460 -9.352 1.060 178 HB2 ASP 28 HB2 ASP 28 -1.413 -7.828 3.459 179 HB3 ASP 28 HB1 ASP 28 -2.956 -8.661 3.416
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