NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
560312 | 2ls9 | 18418 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 19.747 1.403 4.465 2 H2 GLY 1 HT2 GLY 1 20.833 0.196 4.947 3 H3 GLY 1 HT3 GLY 1 19.162 -0.075 5.056 4 HA2 GLY 1 HA2 GLY 1 20.707 0.281 2.548 5 HA3 GLY 1 HA3 GLY 1 20.090 -1.244 3.164 6 H TRP 2 H TRP 2 17.938 -1.760 2.912 7 HA TRP 2 HA TRP 2 16.449 0.079 1.142 8 HB2 TRP 2 HB3 TRP 2 16.166 -2.930 1.276 9 HB3 TRP 2 HB2 TRP 2 15.446 -1.844 0.089 10 HD1 TRP 2 HD1 TRP 2 18.517 -3.877 0.744 11 HE1 TRP 2 HE1 TRP 2 20.227 -3.537 -1.149 12 HE3 TRP 2 HE3 TRP 2 16.329 0.113 -1.602 13 HZ2 TRP 2 HZ2 TRP 2 20.594 -1.800 -3.342 14 HZ3 TRP 2 HZ3 TRP 2 17.432 1.055 -3.588 15 HH2 TRP 2 HH2 TRP 2 19.519 0.120 -4.438 16 H GLY 3 H GLY 3 16.519 -0.481 4.208 17 HA2 GLY 3 HA3 GLY 3 13.900 -1.460 4.808 18 HA3 GLY 3 HA2 GLY 3 15.008 -0.688 5.938 19 H SER 4 H SER 4 15.102 1.572 3.820 20 HA SER 4 HA SER 4 13.102 3.198 5.045 21 HB2 SER 4 HB3 SER 4 14.833 3.769 2.628 22 HB3 SER 4 HB2 SER 4 13.923 4.963 3.552 23 HG SER 4 HG SER 4 15.965 3.295 4.623 24 H PHE 5 H PHE 5 12.636 0.816 2.967 25 HA PHE 5 HA PHE 5 10.573 2.227 1.412 26 HB2 PHE 5 HB3 PHE 5 12.011 -0.380 0.882 27 HB3 PHE 5 HB2 PHE 5 10.634 0.184 -0.059 28 HD1 PHE 5 HD2 PHE 5 14.168 0.765 0.738 29 HD2 PHE 5 HD1 PHE 5 10.861 1.952 -1.658 30 HE1 PHE 5 HE2 PHE 5 15.690 2.035 -0.722 31 HE2 PHE 5 HE1 PHE 5 12.376 3.225 -3.126 32 HZ PHE 5 HZ PHE 5 14.792 3.266 -2.657 33 H PHE 6 H PHE 6 9.835 1.878 3.904 34 HA PHE 6 HA PHE 6 8.841 -0.577 4.774 35 HB2 PHE 6 HB3 PHE 6 7.684 2.155 5.361 36 HB3 PHE 6 HB2 PHE 6 7.459 0.702 6.323 37 HD1 PHE 6 HD2 PHE 6 9.334 -0.210 7.638 38 HD2 PHE 6 HD1 PHE 6 9.635 3.488 5.557 39 HE1 PHE 6 HE2 PHE 6 11.294 0.392 8.999 40 HE2 PHE 6 HE1 PHE 6 11.594 4.100 6.912 41 HZ PHE 6 HZ PHE 6 12.424 2.548 8.637 42 H LYS 7 H LYS 7 7.637 -1.776 3.367 43 HA LYS 7 HA LYS 7 6.058 -2.345 1.837 44 HB2 LYS 7 HB3 LYS 7 4.580 -1.045 4.082 45 HB3 LYS 7 HB2 LYS 7 3.689 -1.598 2.673 46 HG2 LYS 7 HG3 LYS 7 3.624 -3.322 4.305 47 HG3 LYS 7 HG2 LYS 7 4.683 -3.856 3.007 48 HD2 LYS 7 HD3 LYS 7 5.727 -4.450 5.062 49 HD3 LYS 7 HD2 LYS 7 6.612 -3.069 4.408 50 HE2 LYS 7 HE3 LYS 7 5.436 -1.567 5.905 51 HE3 LYS 7 HE2 LYS 7 4.454 -2.901 6.511 52 HZ1 LYS 7 HZ1 LYS 7 6.215 -2.427 8.047 53 HZ2 LYS 7 HZ2 LYS 7 7.390 -2.573 6.834 54 HZ3 LYS 7 HZ3 LYS 7 6.517 -3.939 7.336 55 H LYS 8 H LYS 8 7.284 -0.564 0.534 56 HA LYS 8 HA LYS 8 6.173 1.921 0.090 57 HB2 LYS 8 HB3 LYS 8 7.600 2.177 -1.761 58 HB3 LYS 8 HB2 LYS 8 8.456 1.112 -0.658 59 HG2 LYS 8 HG3 LYS 8 6.898 0.209 -3.080 60 HG3 LYS 8 HG2 LYS 8 8.647 0.422 -3.010 61 HD2 LYS 8 HD3 LYS 8 7.167 -1.385 -1.129 62 HD3 LYS 8 HD2 LYS 8 7.740 -1.950 -2.702 63 HE2 LYS 8 HE3 LYS 8 10.038 -1.269 -2.046 64 HE3 LYS 8 HE2 LYS 8 9.417 -0.833 -0.456 65 HZ1 LYS 8 HZ1 LYS 8 10.413 -3.049 -0.474 66 HZ2 LYS 8 HZ2 LYS 8 9.293 -3.555 -1.646 67 HZ3 LYS 8 HZ3 LYS 8 8.759 -3.120 -0.099 68 H ALA 9 H ALA 9 5.182 -1.098 -1.110 69 HA ALA 9 HA ALA 9 3.638 -0.062 -3.314 70 HB1 ALA 9 HB1 ALA 9 4.663 -2.284 -3.440 71 HB2 ALA 9 HB2 ALA 9 2.912 -2.371 -3.626 72 HB3 ALA 9 HB3 ALA 9 3.658 -2.824 -2.095 73 H ALA 10 H ALA 10 3.054 -1.130 -0.019 74 HA ALA 10 HA ALA 10 0.202 -1.100 -0.230 75 HB1 ALA 10 HB1 ALA 10 1.399 -2.504 1.408 76 HB2 ALA 10 HB2 ALA 10 0.201 -1.453 2.165 77 HB3 ALA 10 HB3 ALA 10 1.915 -1.045 2.255 78 H HIS 11 H HIS 11 2.681 1.151 0.779 79 HA HIS 11 HA HIS 11 1.093 3.106 1.998 80 HB2 HIS 11 HB3 HIS 11 3.628 2.961 1.951 81 HB3 HIS 11 HB2 HIS 11 3.558 3.649 0.332 82 HD1 HIS 11 HD1 HIS 11 3.878 4.573 3.776 83 HD2 HIS 11 HD2 HIS 11 2.207 6.320 0.390 84 HE1 HIS 11 HE1 HIS 11 3.654 7.025 4.313 85 HE2 HIS 11 HE2 HIS 11 2.481 8.023 2.318 86 H VAL 12 H VAL 12 1.842 2.502 -1.386 87 HA VAL 12 HA VAL 12 0.478 4.887 -2.287 88 HB VAL 12 HB VAL 12 1.475 2.546 -3.927 89 HG11 VAL 12 HG11 VAL 12 -0.125 3.899 -5.134 90 HG12 VAL 12 HG12 VAL 12 1.495 4.180 -5.773 91 HG13 VAL 12 HG13 VAL 12 0.753 5.368 -4.702 92 HG21 VAL 12 HG21 VAL 12 2.871 5.130 -3.227 93 HG22 VAL 12 HG22 VAL 12 3.460 3.920 -4.367 94 HG23 VAL 12 HG23 VAL 12 3.309 3.517 -2.658 95 H GLY 13 H GLY 13 -0.188 1.468 -1.933 96 HA2 GLY 13 HA3 GLY 13 -2.502 1.348 -3.557 97 HA3 GLY 13 HA2 GLY 13 -2.073 0.212 -2.287 98 H LYS 14 H LYS 14 -2.084 1.969 -0.081 99 HA LYS 14 HA LYS 14 -4.837 1.914 0.527 100 HB2 LYS 14 HB3 LYS 14 -4.199 2.832 2.681 101 HB3 LYS 14 HB2 LYS 14 -3.086 1.571 2.182 102 HG2 LYS 14 HG3 LYS 14 -1.675 3.171 3.069 103 HG3 LYS 14 HG2 LYS 14 -1.602 3.498 1.339 104 HD2 LYS 14 HD3 LYS 14 -1.786 5.564 2.646 105 HD3 LYS 14 HD2 LYS 14 -3.191 5.335 1.606 106 HE2 LYS 14 HE3 LYS 14 -4.452 4.454 3.514 107 HE3 LYS 14 HE2 LYS 14 -3.048 4.701 4.553 108 HZ1 LYS 14 HZ1 LYS 14 -4.489 6.851 3.094 109 HZ2 LYS 14 HZ2 LYS 14 -3.188 7.063 4.158 110 HZ3 LYS 14 HZ3 LYS 14 -4.677 6.497 4.743 111 H HIS 15 H HIS 15 -3.127 4.189 -1.227 112 HA HIS 15 HA HIS 15 -4.200 6.640 -0.377 113 HB2 HIS 15 HB3 HIS 15 -2.369 6.119 -2.162 114 HB3 HIS 15 HB2 HIS 15 -3.728 6.015 -3.277 115 HD1 HIS 15 HD1 HIS 15 -4.236 8.128 -4.435 116 HD2 HIS 15 HD2 HIS 15 -2.419 8.782 -0.751 117 HE1 HIS 15 HE1 HIS 15 -3.901 10.615 -4.277 118 HE2 HIS 15 HE2 HIS 15 -2.558 10.942 -2.172 119 H VAL 16 H VAL 16 -5.420 4.159 -2.554 120 HA VAL 16 HA VAL 16 -7.934 5.625 -2.835 121 HB VAL 16 HB VAL 16 -8.495 3.739 -4.412 122 HG11 VAL 16 HG11 VAL 16 -7.284 4.789 -6.278 123 HG12 VAL 16 HG12 VAL 16 -6.231 5.599 -5.119 124 HG13 VAL 16 HG13 VAL 16 -7.948 5.993 -5.171 125 HG21 VAL 16 HG21 VAL 16 -5.523 3.287 -4.258 126 HG22 VAL 16 HG22 VAL 16 -6.606 2.567 -5.449 127 HG23 VAL 16 HG23 VAL 16 -6.775 2.159 -3.742 128 H GLY 17 H GLY 17 -7.454 4.682 -0.376 129 HA2 GLY 17 HA3 GLY 17 -8.304 2.071 0.220 130 HA3 GLY 17 HA2 GLY 17 -8.249 3.406 1.356 131 H LYS 18 H LYS 18 -10.113 4.720 -0.810 132 HA LYS 18 HA LYS 18 -12.503 4.404 0.608 133 HB2 LYS 18 HB3 LYS 18 -12.141 5.316 -2.251 134 HB3 LYS 18 HB2 LYS 18 -13.580 5.558 -1.276 135 HG2 LYS 18 HG3 LYS 18 -12.571 7.598 -1.091 136 HG3 LYS 18 HG2 LYS 18 -11.936 6.781 0.338 137 HD2 LYS 18 HD3 LYS 18 -9.871 6.268 -0.844 138 HD3 LYS 18 HD2 LYS 18 -10.512 6.996 -2.319 139 HE2 LYS 18 HE3 LYS 18 -10.714 9.152 -1.070 140 HE3 LYS 18 HE2 LYS 18 -9.885 8.384 0.282 141 HZ1 LYS 18 HZ1 LYS 18 -8.762 8.728 -2.451 142 HZ2 LYS 18 HZ2 LYS 18 -7.959 8.035 -1.124 143 HZ3 LYS 18 HZ3 LYS 18 -8.377 9.676 -1.102 144 H ALA 19 H ALA 19 -11.167 2.692 -2.131 145 HA ALA 19 HA ALA 19 -13.577 1.000 -2.216 146 HB1 ALA 19 HB1 ALA 19 -12.923 0.389 -4.482 147 HB2 ALA 19 HB2 ALA 19 -11.483 1.397 -4.349 148 HB3 ALA 19 HB3 ALA 19 -13.083 2.139 -4.330 149 H ALA 20 H ALA 20 -11.084 0.932 -0.463 150 HA ALA 20 HA ALA 20 -10.087 -1.737 -1.209 151 HB1 ALA 20 HB1 ALA 20 -8.903 0.299 0.669 152 HB2 ALA 20 HB2 ALA 20 -8.339 -0.072 -0.960 153 HB3 ALA 20 HB3 ALA 20 -8.218 -1.285 0.314 154 H LEU 21 H LEU 21 -12.201 -0.179 0.849 155 HA LEU 21 HA LEU 21 -11.860 -1.563 3.269 156 HB2 LEU 21 HB3 LEU 21 -14.255 -0.916 3.687 157 HB3 LEU 21 HB2 LEU 21 -13.159 0.398 3.318 158 HG LEU 21 HG LEU 21 -14.050 0.193 0.903 159 HD11 LEU 21 HD11 LEU 21 -15.223 -1.928 1.168 160 HD12 LEU 21 HD12 LEU 21 -16.343 -0.637 0.732 161 HD13 LEU 21 HD13 LEU 21 -16.263 -1.210 2.398 162 HD21 LEU 21 HD21 LEU 21 -15.827 1.195 3.122 163 HD22 LEU 21 HD22 LEU 21 -15.915 1.678 1.427 164 HD23 LEU 21 HD23 LEU 21 -14.490 2.077 2.387 165 H THR 22 H THR 22 -12.823 -2.707 0.290 166 HA THR 22 HA THR 22 -14.695 -4.710 1.134 167 HB THR 22 HB THR 22 -13.121 -4.966 -1.394 168 HG1 THR 22 HG1 THR 22 -14.022 -3.214 -2.277 169 HG21 THR 22 HG21 THR 22 -14.874 -6.593 -0.894 170 HG22 THR 22 HG22 THR 22 -15.325 -5.609 -2.286 171 HG23 THR 22 HG23 THR 22 -16.048 -5.290 -0.710 172 H HIS 23 H HIS 23 -11.274 -4.410 1.110 173 HA HIS 23 HA HIS 23 -10.988 -7.144 2.053 174 HB2 HIS 23 HB3 HIS 23 -9.030 -7.535 0.508 175 HB3 HIS 23 HB2 HIS 23 -10.606 -7.540 -0.271 176 HD1 HIS 23 HD1 HIS 23 -10.890 -6.033 -2.235 177 HD2 HIS 23 HD2 HIS 23 -7.533 -5.071 0.039 178 HE1 HIS 23 HE1 HIS 23 -9.667 -4.249 -3.532 179 HE2 HIS 23 HE2 HIS 23 -7.575 -3.773 -2.201 180 H TYR 24 H TYR 24 -10.847 -5.011 3.623 181 HA TYR 24 HA TYR 24 -8.122 -4.994 4.519 182 HB2 TYR 24 HB3 TYR 24 -7.901 -3.304 2.815 183 HB3 TYR 24 HB2 TYR 24 -9.342 -2.472 3.382 184 HD1 TYR 24 HD2 TYR 24 -5.841 -3.314 4.278 185 HD2 TYR 24 HD1 TYR 24 -9.212 -0.834 5.074 186 HE1 TYR 24 HE2 TYR 24 -4.444 -1.873 5.699 187 HE2 TYR 24 HE1 TYR 24 -7.817 0.613 6.487 188 HH TYR 24 HH TYR 24 -4.425 0.431 6.528 189 H LEU 25 H LEU 25 -11.044 -2.974 4.751 190 HA LEU 25 HA LEU 25 -10.653 -2.686 7.595 191 HB2 LEU 25 HB3 LEU 25 -11.213 -0.800 6.062 192 HB3 LEU 25 HB2 LEU 25 -12.769 -1.544 5.776 193 HG LEU 25 HG LEU 25 -13.280 -1.317 8.183 194 HD11 LEU 25 HD11 LEU 25 -11.875 0.153 9.539 195 HD12 LEU 25 HD12 LEU 25 -10.719 0.276 8.209 196 HD13 LEU 25 HD13 LEU 25 -10.982 -1.274 9.008 197 HD21 LEU 25 HD21 LEU 25 -13.733 1.057 8.069 198 HD22 LEU 25 HD22 LEU 25 -14.006 0.306 6.493 199 HD23 LEU 25 HD23 LEU 25 -12.540 1.240 6.782 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 16.924 1.216 -7.400 2 H2 GLY 1 HT2 GLY 1 18.168 2.036 -8.209 3 H3 GLY 1 HT3 GLY 1 16.793 1.531 -9.059 4 HA2 GLY 1 HA2 GLY 1 16.720 3.508 -6.849 5 HA3 GLY 1 HA3 GLY 1 16.845 3.954 -8.544 6 H TRP 2 H TRP 2 15.077 3.624 -9.924 7 HA TRP 2 HA TRP 2 12.546 3.983 -8.704 8 HB2 TRP 2 HB3 TRP 2 11.666 3.840 -11.041 9 HB3 TRP 2 HB2 TRP 2 12.981 4.994 -10.856 10 HD1 TRP 2 HD1 TRP 2 15.247 4.496 -12.149 11 HE1 TRP 2 HE1 TRP 2 15.871 2.838 -14.022 12 HE3 TRP 2 HE3 TRP 2 11.151 1.442 -11.927 13 HZ2 TRP 2 HZ2 TRP 2 14.766 0.554 -15.243 14 HZ3 TRP 2 HZ3 TRP 2 11.009 -0.455 -13.488 15 HH2 TRP 2 HH2 TRP 2 12.781 -0.887 -15.112 16 H GLY 3 H GLY 3 10.776 2.637 -8.567 17 HA2 GLY 3 HA3 GLY 3 9.557 0.674 -8.644 18 HA3 GLY 3 HA2 GLY 3 10.849 -0.066 -9.577 19 H SER 4 H SER 4 12.634 0.996 -7.232 20 HA SER 4 HA SER 4 12.476 -1.465 -5.724 21 HB2 SER 4 HB3 SER 4 14.365 0.872 -5.370 22 HB3 SER 4 HB2 SER 4 14.558 -0.755 -4.714 23 HG SER 4 HG SER 4 15.771 -0.714 -6.540 24 H PHE 5 H PHE 5 10.397 0.683 -5.550 25 HA PHE 5 HA PHE 5 10.574 1.332 -2.681 26 HB2 PHE 5 HB3 PHE 5 8.705 2.421 -4.804 27 HB3 PHE 5 HB2 PHE 5 8.757 2.939 -3.124 28 HD1 PHE 5 HD2 PHE 5 10.666 4.237 -2.284 29 HD2 PHE 5 HD1 PHE 5 10.311 3.185 -6.393 30 HE1 PHE 5 HE2 PHE 5 12.351 5.937 -2.862 31 HE2 PHE 5 HE1 PHE 5 11.995 4.882 -6.979 32 HZ PHE 5 HZ PHE 5 13.017 6.259 -5.209 33 H PHE 6 H PHE 6 9.768 -1.229 -4.162 34 HA PHE 6 HA PHE 6 6.982 -1.546 -3.964 35 HB2 PHE 6 HB3 PHE 6 7.436 -3.960 -4.285 36 HB3 PHE 6 HB2 PHE 6 8.257 -2.935 -5.456 37 HD1 PHE 6 HD1 PHE 6 10.701 -2.527 -5.225 38 HD2 PHE 6 HD2 PHE 6 8.637 -5.383 -2.835 39 HE1 PHE 6 HE1 PHE 6 12.838 -3.607 -4.681 40 HE2 PHE 6 HE2 PHE 6 10.776 -6.467 -2.283 41 HZ PHE 6 HZ PHE 6 12.878 -5.579 -3.206 42 H LYS 7 H LYS 7 9.406 -1.741 -1.496 43 HA LYS 7 HA LYS 7 7.991 -3.499 0.222 44 HB2 LYS 7 HB3 LYS 7 10.185 -1.494 0.724 45 HB3 LYS 7 HB2 LYS 7 9.557 -2.577 1.939 46 HG2 LYS 7 HG3 LYS 7 10.949 -3.370 -0.600 47 HG3 LYS 7 HG2 LYS 7 11.606 -3.459 1.035 48 HD2 LYS 7 HD3 LYS 7 9.187 -4.977 0.055 49 HD3 LYS 7 HD2 LYS 7 10.814 -5.648 0.192 50 HE2 LYS 7 HE3 LYS 7 10.790 -5.314 2.582 51 HE3 LYS 7 HE2 LYS 7 9.236 -4.485 2.483 52 HZ1 LYS 7 HZ1 LYS 7 8.998 -6.792 3.200 53 HZ2 LYS 7 HZ2 LYS 7 9.706 -7.332 1.755 54 HZ3 LYS 7 HZ3 LYS 7 8.216 -6.519 1.722 55 H LYS 8 H LYS 8 8.019 -0.021 -0.287 56 HA LYS 8 HA LYS 8 6.006 0.295 1.814 57 HB2 LYS 8 HB3 LYS 8 7.761 2.268 0.356 58 HB3 LYS 8 HB2 LYS 8 6.399 2.774 1.343 59 HG2 LYS 8 HG3 LYS 8 8.331 2.970 2.663 60 HG3 LYS 8 HG2 LYS 8 7.452 1.573 3.268 61 HD2 LYS 8 HD3 LYS 8 9.721 0.935 3.220 62 HD3 LYS 8 HD2 LYS 8 8.995 0.179 1.804 63 HE2 LYS 8 HE3 LYS 8 9.874 1.926 0.377 64 HE3 LYS 8 HE2 LYS 8 10.521 2.777 1.777 65 HZ1 LYS 8 HZ1 LYS 8 11.868 0.712 2.203 66 HZ2 LYS 8 HZ2 LYS 8 12.307 1.612 0.835 67 HZ3 LYS 8 HZ3 LYS 8 11.412 0.187 0.656 68 H ALA 9 H ALA 9 5.857 -0.711 -1.117 69 HA ALA 9 HA ALA 9 4.480 1.185 -2.658 70 HB1 ALA 9 HB1 ALA 9 5.579 -0.763 -3.626 71 HB2 ALA 9 HB2 ALA 9 3.887 -0.668 -4.116 72 HB3 ALA 9 HB3 ALA 9 4.381 -1.819 -2.874 73 H ALA 10 H ALA 10 3.311 -1.315 -0.453 74 HA ALA 10 HA ALA 10 0.596 -1.206 -1.118 75 HB1 ALA 10 HB1 ALA 10 0.173 -2.212 1.057 76 HB2 ALA 10 HB2 ALA 10 1.805 -1.801 1.579 77 HB3 ALA 10 HB3 ALA 10 1.562 -2.967 0.277 78 H HIS 11 H HIS 11 2.544 0.968 0.771 79 HA HIS 11 HA HIS 11 0.475 2.274 2.192 80 HB2 HIS 11 HB3 HIS 11 3.245 3.119 1.363 81 HB3 HIS 11 HB2 HIS 11 2.170 4.209 2.229 82 HD1 HIS 11 HD1 HIS 11 3.830 0.816 2.691 83 HD2 HIS 11 HD2 HIS 11 2.196 3.914 4.933 84 HE1 HIS 11 HE1 HIS 11 4.342 0.262 5.082 85 HE2 HIS 11 HE2 HIS 11 3.193 2.049 6.428 86 H VAL 12 H VAL 12 1.950 2.846 -0.957 87 HA VAL 12 HA VAL 12 0.237 5.142 -1.468 88 HB VAL 12 HB VAL 12 2.277 3.818 -3.273 89 HG11 VAL 12 HG11 VAL 12 0.956 6.518 -3.455 90 HG12 VAL 12 HG12 VAL 12 0.642 5.138 -4.503 91 HG13 VAL 12 HG13 VAL 12 2.225 5.917 -4.523 92 HG21 VAL 12 HG21 VAL 12 3.303 4.671 -1.222 93 HG22 VAL 12 HG22 VAL 12 2.567 6.248 -1.510 94 HG23 VAL 12 HG23 VAL 12 3.781 5.625 -2.627 95 H GLY 13 H GLY 13 0.583 1.793 -2.392 96 HA2 GLY 13 HA3 GLY 13 -1.118 1.713 -4.603 97 HA3 GLY 13 HA2 GLY 13 -0.776 0.360 -3.542 98 H LYS 14 H LYS 14 -1.849 1.552 -1.173 99 HA LYS 14 HA LYS 14 -4.647 1.124 -1.637 100 HB2 LYS 14 HB3 LYS 14 -4.887 1.248 0.755 101 HB3 LYS 14 HB2 LYS 14 -3.488 0.267 0.347 102 HG2 LYS 14 HG3 LYS 14 -1.997 2.076 0.900 103 HG3 LYS 14 HG2 LYS 14 -3.372 3.133 1.234 104 HD2 LYS 14 HD3 LYS 14 -4.058 1.749 3.068 105 HD3 LYS 14 HD2 LYS 14 -2.821 0.548 2.686 106 HE2 LYS 14 HE3 LYS 14 -2.016 1.841 4.519 107 HE3 LYS 14 HE2 LYS 14 -1.099 2.303 3.086 108 HZ1 LYS 14 HZ1 LYS 14 -3.190 3.824 4.508 109 HZ2 LYS 14 HZ2 LYS 14 -2.823 4.167 2.891 110 HZ3 LYS 14 HZ3 LYS 14 -1.619 4.315 4.078 111 H HIS 15 H HIS 15 -3.610 3.363 -2.995 112 HA HIS 15 HA HIS 15 -4.185 5.854 -1.910 113 HB2 HIS 15 HB3 HIS 15 -3.156 5.404 -4.155 114 HB3 HIS 15 HB2 HIS 15 -4.749 4.940 -4.743 115 HD1 HIS 15 HD1 HIS 15 -4.356 6.900 -6.514 116 HD2 HIS 15 HD2 HIS 15 -4.820 8.101 -2.559 117 HE1 HIS 15 HE1 HIS 15 -4.870 9.362 -6.604 118 HE2 HIS 15 HE2 HIS 15 -5.310 10.022 -4.216 119 H VAL 16 H VAL 16 -6.273 3.280 -2.841 120 HA VAL 16 HA VAL 16 -8.692 4.574 -3.293 121 HB VAL 16 HB VAL 16 -8.339 1.928 -1.885 122 HG11 VAL 16 HG11 VAL 16 -10.605 2.747 -1.788 123 HG12 VAL 16 HG12 VAL 16 -10.509 1.388 -2.912 124 HG13 VAL 16 HG13 VAL 16 -10.604 3.038 -3.529 125 HG21 VAL 16 HG21 VAL 16 -7.028 2.000 -3.954 126 HG22 VAL 16 HG22 VAL 16 -8.476 2.460 -4.849 127 HG23 VAL 16 HG23 VAL 16 -8.385 0.880 -4.072 128 H GLY 17 H GLY 17 -8.128 2.779 -0.258 129 HA2 GLY 17 HA3 GLY 17 -8.776 3.265 1.898 130 HA3 GLY 17 HA2 GLY 17 -8.842 4.959 1.432 131 H LYS 18 H LYS 18 -10.746 4.793 -0.600 132 HA LYS 18 HA LYS 18 -13.102 5.169 0.827 133 HB2 LYS 18 HB3 LYS 18 -12.694 4.574 -2.108 134 HB3 LYS 18 HB2 LYS 18 -14.188 5.187 -1.408 135 HG2 LYS 18 HG3 LYS 18 -13.367 7.277 -1.125 136 HG3 LYS 18 HG2 LYS 18 -11.724 6.715 -0.827 137 HD2 LYS 18 HD3 LYS 18 -11.851 7.941 -2.925 138 HD3 LYS 18 HD2 LYS 18 -11.447 6.248 -3.208 139 HE2 LYS 18 HE3 LYS 18 -13.744 5.779 -3.835 140 HE3 LYS 18 HE2 LYS 18 -14.203 7.445 -3.479 141 HZ1 LYS 18 HZ1 LYS 18 -12.761 8.200 -5.241 142 HZ2 LYS 18 HZ2 LYS 18 -13.850 7.056 -5.855 143 HZ3 LYS 18 HZ3 LYS 18 -12.242 6.617 -5.551 144 H ALA 19 H ALA 19 -12.077 2.340 -1.056 145 HA ALA 19 HA ALA 19 -14.438 0.883 -0.115 146 HB1 ALA 19 HB1 ALA 19 -13.813 -0.814 -1.774 147 HB2 ALA 19 HB2 ALA 19 -12.383 0.129 -2.191 148 HB3 ALA 19 HB3 ALA 19 -13.992 0.780 -2.506 149 H ALA 20 H ALA 20 -11.868 1.606 1.389 150 HA ALA 20 HA ALA 20 -11.210 -1.129 2.270 151 HB1 ALA 20 HB1 ALA 20 -9.315 0.014 1.217 152 HB2 ALA 20 HB2 ALA 20 -9.023 -0.305 2.928 153 HB3 ALA 20 HB3 ALA 20 -9.460 1.320 2.396 154 H LEU 21 H LEU 21 -12.031 2.141 3.185 155 HA LEU 21 HA LEU 21 -11.832 1.825 5.991 156 HB2 LEU 21 HB3 LEU 21 -13.257 3.852 6.097 157 HB3 LEU 21 HB2 LEU 21 -11.865 4.027 5.050 158 HG LEU 21 HG LEU 21 -13.509 3.473 3.128 159 HD11 LEU 21 HD11 LEU 21 -15.814 4.193 3.543 160 HD12 LEU 21 HD12 LEU 21 -15.451 4.336 5.265 161 HD13 LEU 21 HD13 LEU 21 -15.391 2.760 4.479 162 HD21 LEU 21 HD21 LEU 21 -14.083 5.827 2.921 163 HD22 LEU 21 HD22 LEU 21 -12.422 5.628 3.479 164 HD23 LEU 21 HD23 LEU 21 -13.688 6.084 4.620 165 H THR 22 H THR 22 -13.869 0.446 3.775 166 HA THR 22 HA THR 22 -16.183 0.154 5.475 167 HB THR 22 HB THR 22 -15.602 -1.570 3.080 168 HG1 THR 22 HG1 THR 22 -16.951 0.685 2.420 169 HG21 THR 22 HG21 THR 22 -17.649 -2.002 4.355 170 HG22 THR 22 HG22 THR 22 -18.031 -1.371 2.752 171 HG23 THR 22 HG23 THR 22 -18.133 -0.316 4.163 172 H HIS 23 H HIS 23 -13.125 -1.204 5.297 173 HA HIS 23 HA HIS 23 -13.965 -3.767 6.467 174 HB2 HIS 23 HB3 HIS 23 -11.248 -2.920 5.429 175 HB3 HIS 23 HB2 HIS 23 -11.666 -4.522 6.022 176 HD1 HIS 23 HD1 HIS 23 -10.771 -3.416 3.012 177 HD2 HIS 23 HD2 HIS 23 -14.413 -4.971 4.287 178 HE1 HIS 23 HE1 HIS 23 -11.930 -4.220 0.936 179 HE2 HIS 23 HE2 HIS 23 -14.217 -4.955 1.710 180 H TYR 24 H TYR 24 -11.388 -1.346 6.916 181 HA TYR 24 HA TYR 24 -11.385 -1.906 9.770 182 HB2 TYR 24 HB3 TYR 24 -9.438 -0.327 9.808 183 HB3 TYR 24 HB2 TYR 24 -9.205 -1.734 8.794 184 HD1 TYR 24 HD1 TYR 24 -10.095 1.884 8.640 185 HD2 TYR 24 HD2 TYR 24 -8.542 -1.495 6.578 186 HE1 TYR 24 HE1 TYR 24 -9.423 3.337 6.776 187 HE2 TYR 24 HE2 TYR 24 -7.870 -0.052 4.705 188 HH TYR 24 HH TYR 24 -7.804 3.340 4.930 189 H LEU 25 H LEU 25 -10.623 0.869 10.469 190 HA LEU 25 HA LEU 25 -11.503 2.798 11.136 191 HB2 LEU 25 HB3 LEU 25 -11.956 2.890 8.597 192 HB3 LEU 25 HB2 LEU 25 -13.614 2.543 9.040 193 HG LEU 25 HG LEU 25 -13.446 4.526 10.593 194 HD11 LEU 25 HD11 LEU 25 -11.803 6.213 10.053 195 HD12 LEU 25 HD12 LEU 25 -11.101 5.161 8.824 196 HD13 LEU 25 HD13 LEU 25 -11.009 4.711 10.526 197 HD21 LEU 25 HD21 LEU 25 -13.989 6.100 8.797 198 HD22 LEU 25 HD22 LEU 25 -14.757 4.533 8.540 199 HD23 LEU 25 HD23 LEU 25 -13.320 4.972 7.617 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 8.096 -1.120 -11.592 2 H2 GLY 1 HT2 GLY 1 7.086 -0.503 -10.380 3 H3 GLY 1 HT3 GLY 1 6.535 -1.754 -11.385 4 HA2 GLY 1 HA2 GLY 1 8.264 -3.221 -10.488 5 HA3 GLY 1 HA3 GLY 1 8.727 -1.925 -9.395 6 H TRP 2 H TRP 2 7.884 -4.515 -8.630 7 HA TRP 2 HA TRP 2 5.703 -3.769 -6.863 8 HB2 TRP 2 HB3 TRP 2 4.615 -4.746 -8.908 9 HB3 TRP 2 HB2 TRP 2 5.472 -6.248 -8.589 10 HD1 TRP 2 HD1 TRP 2 4.394 -7.896 -6.874 11 HE1 TRP 2 HE1 TRP 2 2.250 -7.856 -5.439 12 HE3 TRP 2 HE3 TRP 2 3.066 -3.000 -7.542 13 HZ2 TRP 2 HZ2 TRP 2 0.274 -5.987 -4.688 14 HZ3 TRP 2 HZ3 TRP 2 1.041 -2.166 -6.425 15 HH2 TRP 2 HH2 TRP 2 -0.326 -3.630 -5.028 16 H GLY 3 H GLY 3 7.798 -6.416 -8.003 17 HA2 GLY 3 HA3 GLY 3 7.946 -7.738 -5.487 18 HA3 GLY 3 HA2 GLY 3 9.063 -7.944 -6.831 19 H SER 4 H SER 4 9.098 -7.308 -3.740 20 HA SER 4 HA SER 4 10.438 -6.273 -2.252 21 HB2 SER 4 HB3 SER 4 12.047 -5.662 -4.722 22 HB3 SER 4 HB2 SER 4 12.618 -5.372 -3.079 23 HG SER 4 HG SER 4 12.866 -7.484 -2.777 24 H PHE 5 H PHE 5 8.492 -4.817 -4.302 25 HA PHE 5 HA PHE 5 9.112 -2.098 -3.338 26 HB2 PHE 5 HB3 PHE 5 9.229 -2.367 -5.805 27 HB3 PHE 5 HB2 PHE 5 7.559 -2.919 -5.810 28 HD1 PHE 5 HD1 PHE 5 9.703 -0.013 -4.959 29 HD2 PHE 5 HD2 PHE 5 5.810 -1.391 -5.986 30 HE1 PHE 5 HE1 PHE 5 8.951 2.316 -5.213 31 HE2 PHE 5 HE2 PHE 5 5.048 0.934 -6.241 32 HZ PHE 5 HZ PHE 5 6.622 2.790 -5.858 33 H PHE 6 H PHE 6 7.172 -4.703 -2.866 34 HA PHE 6 HA PHE 6 4.561 -3.718 -2.808 35 HB2 PHE 6 HB3 PHE 6 5.161 -6.122 -2.688 36 HB3 PHE 6 HB2 PHE 6 5.758 -5.875 -1.052 37 HD1 PHE 6 HD2 PHE 6 2.705 -5.593 -3.142 38 HD2 PHE 6 HD1 PHE 6 4.323 -6.075 0.766 39 HE1 PHE 6 HE2 PHE 6 0.448 -6.027 -2.268 40 HE2 PHE 6 HE1 PHE 6 2.069 -6.514 1.649 41 HZ PHE 6 HZ PHE 6 0.127 -6.489 0.131 42 H LYS 7 H LYS 7 7.137 -3.563 -0.406 43 HA LYS 7 HA LYS 7 5.675 -2.688 1.797 44 HB2 LYS 7 HB3 LYS 7 8.114 -3.367 1.630 45 HB3 LYS 7 HB2 LYS 7 8.429 -1.756 1.007 46 HG2 LYS 7 HG3 LYS 7 8.961 -1.739 3.282 47 HG3 LYS 7 HG2 LYS 7 7.446 -0.851 3.130 48 HD2 LYS 7 HD3 LYS 7 7.336 -2.325 5.054 49 HD3 LYS 7 HD2 LYS 7 6.231 -2.902 3.807 50 HE2 LYS 7 HE3 LYS 7 7.867 -4.567 3.110 51 HE3 LYS 7 HE2 LYS 7 9.004 -3.974 4.318 52 HZ1 LYS 7 HZ1 LYS 7 6.334 -5.089 4.978 53 HZ2 LYS 7 HZ2 LYS 7 7.583 -4.714 6.057 54 HZ3 LYS 7 HZ3 LYS 7 7.762 -6.005 4.970 55 H LYS 8 H LYS 8 6.991 -0.900 -0.963 56 HA LYS 8 HA LYS 8 6.029 1.626 0.031 57 HB2 LYS 8 HB3 LYS 8 7.446 0.792 -2.487 58 HB3 LYS 8 HB2 LYS 8 6.776 2.406 -2.314 59 HG2 LYS 8 HG3 LYS 8 9.040 2.584 -1.759 60 HG3 LYS 8 HG2 LYS 8 8.181 2.630 -0.223 61 HD2 LYS 8 HD3 LYS 8 10.069 1.225 0.088 62 HD3 LYS 8 HD2 LYS 8 8.667 0.161 -0.027 63 HE2 LYS 8 HE3 LYS 8 9.206 -0.435 -2.270 64 HE3 LYS 8 HE2 LYS 8 10.449 0.812 -2.365 65 HZ1 LYS 8 HZ1 LYS 8 11.780 -0.370 -0.782 66 HZ2 LYS 8 HZ2 LYS 8 11.355 -1.449 -2.020 67 HZ3 LYS 8 HZ3 LYS 8 10.563 -1.517 -0.523 68 H ALA 9 H ALA 9 4.966 -0.894 -1.996 69 HA ALA 9 HA ALA 9 3.016 0.540 -3.491 70 HB1 ALA 9 HB1 ALA 9 2.158 -1.630 -4.146 71 HB2 ALA 9 HB2 ALA 9 3.100 -2.410 -2.876 72 HB3 ALA 9 HB3 ALA 9 3.920 -1.627 -4.226 73 H ALA 10 H ALA 10 3.054 -1.003 -0.367 74 HA ALA 10 HA ALA 10 0.305 -1.069 0.181 75 HB1 ALA 10 HB1 ALA 10 1.966 -2.155 1.597 76 HB2 ALA 10 HB2 ALA 10 0.957 -1.060 2.542 77 HB3 ALA 10 HB3 ALA 10 2.594 -0.580 2.089 78 H HIS 11 H HIS 11 2.595 1.549 0.172 79 HA HIS 11 HA HIS 11 1.066 3.460 1.595 80 HB2 HIS 11 HB3 HIS 11 3.300 3.697 -0.412 81 HB3 HIS 11 HB2 HIS 11 2.507 5.120 0.253 82 HD1 HIS 11 HD1 HIS 11 3.898 6.085 2.019 83 HD2 HIS 11 HD2 HIS 11 4.059 1.931 2.051 84 HE1 HIS 11 HE1 HIS 11 5.363 5.479 3.960 85 HE2 HIS 11 HE2 HIS 11 5.310 2.968 4.071 86 H VAL 12 H VAL 12 1.303 2.595 -1.808 87 HA VAL 12 HA VAL 12 -0.519 4.604 -2.711 88 HB VAL 12 HB VAL 12 0.257 2.046 -4.129 89 HG11 VAL 12 HG11 VAL 12 -0.771 4.678 -5.168 90 HG12 VAL 12 HG12 VAL 12 -1.668 3.161 -5.096 91 HG13 VAL 12 HG13 VAL 12 -0.268 3.310 -6.161 92 HG21 VAL 12 HG21 VAL 12 2.256 3.281 -3.463 93 HG22 VAL 12 HG22 VAL 12 1.608 4.741 -4.209 94 HG23 VAL 12 HG23 VAL 12 2.020 3.349 -5.209 95 H GLY 13 H GLY 13 -0.722 1.281 -1.644 96 HA2 GLY 13 HA3 GLY 13 -3.314 0.631 -2.463 97 HA3 GLY 13 HA2 GLY 13 -2.498 -0.043 -1.061 98 H LYS 14 H LYS 14 -2.260 1.991 0.676 99 HA LYS 14 HA LYS 14 -4.928 2.374 1.559 100 HB2 LYS 14 HB3 LYS 14 -3.952 3.536 3.451 101 HB3 LYS 14 HB2 LYS 14 -3.069 2.062 3.100 102 HG2 LYS 14 HG3 LYS 14 -1.401 3.583 3.595 103 HG3 LYS 14 HG2 LYS 14 -1.427 3.573 1.834 104 HD2 LYS 14 HD3 LYS 14 -1.243 5.852 2.712 105 HD3 LYS 14 HD2 LYS 14 -2.752 5.621 1.828 106 HE2 LYS 14 HE3 LYS 14 -3.939 5.314 3.953 107 HE3 LYS 14 HE2 LYS 14 -2.425 5.565 4.830 108 HZ1 LYS 14 HZ1 LYS 14 -2.314 7.797 4.008 109 HZ2 LYS 14 HZ2 LYS 14 -3.846 7.570 4.698 110 HZ3 LYS 14 HZ3 LYS 14 -3.666 7.567 3.012 111 H HIS 15 H HIS 15 -2.859 4.169 -0.487 112 HA HIS 15 HA HIS 15 -3.851 6.783 -0.068 113 HB2 HIS 15 HB3 HIS 15 -1.786 5.983 -1.440 114 HB3 HIS 15 HB2 HIS 15 -2.943 5.762 -2.748 115 HD1 HIS 15 HD1 HIS 15 -0.498 7.976 -2.150 116 HD2 HIS 15 HD2 HIS 15 -4.603 8.549 -2.526 117 HE1 HIS 15 HE1 HIS 15 -0.795 10.389 -2.803 118 HE2 HIS 15 HE2 HIS 15 -3.268 10.654 -3.200 119 H VAL 16 H VAL 16 -4.642 4.313 -2.496 120 HA VAL 16 HA VAL 16 -7.188 5.668 -2.983 121 HB VAL 16 HB VAL 16 -7.433 3.939 -4.781 122 HG11 VAL 16 HG11 VAL 16 -6.861 6.264 -5.255 123 HG12 VAL 16 HG12 VAL 16 -6.012 5.184 -6.362 124 HG13 VAL 16 HG13 VAL 16 -5.154 5.903 -4.998 125 HG21 VAL 16 HG21 VAL 16 -5.791 2.326 -4.053 126 HG22 VAL 16 HG22 VAL 16 -4.507 3.525 -4.203 127 HG23 VAL 16 HG23 VAL 16 -5.337 2.938 -5.643 128 H GLY 17 H GLY 17 -6.857 4.432 -0.568 129 HA2 GLY 17 HA3 GLY 17 -7.710 1.720 -0.532 130 HA3 GLY 17 HA2 GLY 17 -7.606 2.789 0.856 131 H LYS 18 H LYS 18 -9.490 4.449 -1.226 132 HA LYS 18 HA LYS 18 -11.767 3.950 0.407 133 HB2 LYS 18 HB3 LYS 18 -12.938 5.614 -0.943 134 HB3 LYS 18 HB2 LYS 18 -11.370 6.192 -0.415 135 HG2 LYS 18 HG3 LYS 18 -11.803 5.039 -3.153 136 HG3 LYS 18 HG2 LYS 18 -12.098 6.739 -2.787 137 HD2 LYS 18 HD3 LYS 18 -9.697 6.723 -1.848 138 HD3 LYS 18 HD2 LYS 18 -9.516 5.214 -2.743 139 HE2 LYS 18 HE3 LYS 18 -10.233 7.916 -3.875 140 HE3 LYS 18 HE2 LYS 18 -8.712 7.055 -4.084 141 HZ1 LYS 18 HZ1 LYS 18 -10.007 5.278 -5.223 142 HZ2 LYS 18 HZ2 LYS 18 -9.997 6.763 -6.041 143 HZ3 LYS 18 HZ3 LYS 18 -11.371 6.290 -5.168 144 H ALA 19 H ALA 19 -10.618 2.435 -2.381 145 HA ALA 19 HA ALA 19 -13.193 1.014 -2.597 146 HB1 ALA 19 HB1 ALA 19 -12.781 2.291 -4.642 147 HB2 ALA 19 HB2 ALA 19 -12.688 0.556 -4.949 148 HB3 ALA 19 HB3 ALA 19 -11.210 1.507 -4.819 149 H ALA 20 H ALA 20 -10.711 0.658 -0.956 150 HA ALA 20 HA ALA 20 -10.043 -2.071 -1.831 151 HB1 ALA 20 HB1 ALA 20 -7.735 -1.733 -1.194 152 HB2 ALA 20 HB2 ALA 20 -8.089 -0.072 -0.720 153 HB3 ALA 20 HB3 ALA 20 -8.208 -0.551 -2.414 154 H LEU 21 H LEU 21 -10.263 0.231 0.844 155 HA LEU 21 HA LEU 21 -9.464 -1.483 2.898 156 HB2 LEU 21 HB3 LEU 21 -10.629 0.068 4.416 157 HB3 LEU 21 HB2 LEU 21 -9.616 0.890 3.252 158 HG LEU 21 HG LEU 21 -11.837 1.205 1.917 159 HD11 LEU 21 HD11 LEU 21 -13.805 1.435 3.351 160 HD12 LEU 21 HD12 LEU 21 -12.894 0.771 4.707 161 HD13 LEU 21 HD13 LEU 21 -13.236 -0.235 3.298 162 HD21 LEU 21 HD21 LEU 21 -12.249 3.292 3.115 163 HD22 LEU 21 HD22 LEU 21 -10.525 3.008 2.873 164 HD23 LEU 21 HD23 LEU 21 -11.256 2.719 4.451 165 H THR 22 H THR 22 -12.259 -1.553 1.018 166 HA THR 22 HA THR 22 -14.028 -2.708 2.962 167 HB THR 22 HB THR 22 -14.647 -3.170 0.134 168 HG1 THR 22 HG1 THR 22 -14.848 -0.477 0.739 169 HG21 THR 22 HG21 THR 22 -16.737 -2.074 0.767 170 HG22 THR 22 HG22 THR 22 -16.034 -1.588 2.308 171 HG23 THR 22 HG23 THR 22 -16.301 -3.298 1.964 172 H HIS 23 H HIS 23 -11.425 -3.892 1.166 173 HA HIS 23 HA HIS 23 -12.028 -6.643 1.756 174 HB2 HIS 23 HB3 HIS 23 -12.011 -7.418 -0.594 175 HB3 HIS 23 HB2 HIS 23 -13.387 -6.377 -0.255 176 HD1 HIS 23 HD1 HIS 23 -10.451 -6.716 -2.459 177 HD2 HIS 23 HD2 HIS 23 -13.152 -3.726 -1.408 178 HE1 HIS 23 HE1 HIS 23 -10.174 -4.906 -4.185 179 HE2 HIS 23 HE2 HIS 23 -11.712 -3.047 -3.446 180 H TYR 24 H TYR 24 -9.887 -4.844 2.393 181 HA TYR 24 HA TYR 24 -7.598 -6.307 1.597 182 HB2 TYR 24 HB3 TYR 24 -7.812 -5.262 -0.541 183 HB3 TYR 24 HB2 TYR 24 -8.143 -3.695 0.182 184 HD1 TYR 24 HD2 TYR 24 -5.497 -6.163 -0.553 185 HD2 TYR 24 HD1 TYR 24 -6.376 -2.250 0.879 186 HE1 TYR 24 HE2 TYR 24 -3.119 -5.564 -0.746 187 HE2 TYR 24 HE1 TYR 24 -3.999 -1.639 0.680 188 HH TYR 24 HH TYR 24 -1.768 -3.485 -1.034 189 H LEU 25 H LEU 25 -8.397 -2.899 2.307 190 HA LEU 25 HA LEU 25 -6.230 -2.792 4.206 191 HB2 LEU 25 HB3 LEU 25 -6.780 -1.013 2.484 192 HB3 LEU 25 HB2 LEU 25 -8.186 -0.630 3.457 193 HG LEU 25 HG LEU 25 -6.651 -0.154 5.359 194 HD11 LEU 25 HD11 LEU 25 -4.753 -1.471 4.542 195 HD12 LEU 25 HD12 LEU 25 -4.293 0.199 4.877 196 HD13 LEU 25 HD13 LEU 25 -4.547 -0.332 3.214 197 HD21 LEU 25 HD21 LEU 25 -6.030 2.039 4.530 198 HD22 LEU 25 HD22 LEU 25 -7.630 1.590 3.932 199 HD23 LEU 25 HD23 LEU 25 -6.228 1.486 2.867 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 9.732 10.626 -12.682 2 H2 GLY 1 HT2 GLY 1 9.319 10.029 -14.216 3 H3 GLY 1 HT3 GLY 1 9.735 8.959 -12.971 4 HA2 GLY 1 HA2 GLY 1 7.361 10.729 -12.955 5 HA3 GLY 1 HA3 GLY 1 7.339 9.017 -13.360 6 H TRP 2 H TRP 2 6.421 7.955 -11.725 7 HA TRP 2 HA TRP 2 7.219 8.711 -8.992 8 HB2 TRP 2 HB3 TRP 2 4.597 7.538 -9.931 9 HB3 TRP 2 HB2 TRP 2 5.028 7.828 -8.249 10 HD1 TRP 2 HD1 TRP 2 3.279 9.413 -11.052 11 HE1 TRP 2 HE1 TRP 2 2.879 11.921 -10.599 12 HE3 TRP 2 HE3 TRP 2 6.439 10.022 -7.074 13 HZ2 TRP 2 HZ2 TRP 2 3.801 13.890 -8.789 14 HZ3 TRP 2 HZ3 TRP 2 6.621 12.245 -6.040 15 HH2 TRP 2 HH2 TRP 2 5.328 14.139 -6.881 16 H GLY 3 H GLY 3 8.672 6.908 -10.648 17 HA2 GLY 3 HA3 GLY 3 8.020 4.227 -9.714 18 HA3 GLY 3 HA2 GLY 3 9.356 4.673 -10.770 19 H SER 4 H SER 4 9.001 6.582 -7.994 20 HA SER 4 HA SER 4 11.467 5.584 -6.884 21 HB2 SER 4 HB3 SER 4 9.673 7.696 -5.682 22 HB3 SER 4 HB2 SER 4 11.421 7.522 -5.516 23 HG SER 4 HG SER 4 11.702 8.215 -7.593 24 H PHE 5 H PHE 5 8.259 4.731 -6.600 25 HA PHE 5 HA PHE 5 8.449 4.082 -3.744 26 HB2 PHE 5 HB3 PHE 5 6.026 4.101 -5.551 27 HB3 PHE 5 HB2 PHE 5 6.019 3.800 -3.817 28 HD1 PHE 5 HD2 PHE 5 6.800 5.657 -2.280 29 HD2 PHE 5 HD1 PHE 5 5.888 6.273 -6.391 30 HE1 PHE 5 HE2 PHE 5 6.533 8.064 -1.857 31 HE2 PHE 5 HE1 PHE 5 5.621 8.685 -5.974 32 HZ PHE 5 HZ PHE 5 5.939 9.583 -3.706 33 H PHE 6 H PHE 6 9.358 2.145 -3.463 34 HA PHE 6 HA PHE 6 8.237 -0.119 -4.981 35 HB2 PHE 6 HB3 PHE 6 10.874 0.050 -3.503 36 HB3 PHE 6 HB2 PHE 6 10.273 -1.369 -4.353 37 HD1 PHE 6 HD1 PHE 6 9.749 -1.048 -6.876 38 HD2 PHE 6 HD2 PHE 6 12.236 1.550 -4.600 39 HE1 PHE 6 HE1 PHE 6 10.824 -0.266 -8.946 40 HE2 PHE 6 HE2 PHE 6 13.313 2.335 -6.667 41 HZ PHE 6 HZ PHE 6 12.608 1.426 -8.844 42 H LYS 7 H LYS 7 9.663 0.573 -1.788 43 HA LYS 7 HA LYS 7 8.087 -1.420 -0.489 44 HB2 LYS 7 HB3 LYS 7 10.014 0.701 0.386 45 HB3 LYS 7 HB2 LYS 7 9.033 -0.144 1.563 46 HG2 LYS 7 HG3 LYS 7 10.919 -1.447 -0.380 47 HG3 LYS 7 HG2 LYS 7 11.256 -1.137 1.325 48 HD2 LYS 7 HD3 LYS 7 9.030 -2.882 0.267 49 HD3 LYS 7 HD2 LYS 7 10.559 -3.463 0.928 50 HE2 LYS 7 HE3 LYS 7 10.032 -2.516 3.085 51 HE3 LYS 7 HE2 LYS 7 8.563 -1.784 2.438 52 HZ1 LYS 7 HZ1 LYS 7 9.084 -4.708 2.590 53 HZ2 LYS 7 HZ2 LYS 7 7.660 -3.969 2.045 54 HZ3 LYS 7 HZ3 LYS 7 8.112 -3.834 3.669 55 H LYS 8 H LYS 8 8.044 2.109 -0.754 56 HA LYS 8 HA LYS 8 5.839 2.499 0.952 57 HB2 LYS 8 HB3 LYS 8 7.164 4.170 -1.144 58 HB3 LYS 8 HB2 LYS 8 5.621 4.683 -0.478 59 HG2 LYS 8 HG3 LYS 8 7.216 5.803 0.786 60 HG3 LYS 8 HG2 LYS 8 6.717 4.458 1.805 61 HD2 LYS 8 HD3 LYS 8 9.099 4.655 1.936 62 HD3 LYS 8 HD2 LYS 8 8.723 3.204 1.005 63 HE2 LYS 8 HE3 LYS 8 9.285 4.242 -1.036 64 HE3 LYS 8 HE2 LYS 8 9.273 5.850 -0.309 65 HZ1 LYS 8 HZ1 LYS 8 11.524 4.996 -0.718 66 HZ2 LYS 8 HZ2 LYS 8 11.237 3.714 0.354 67 HZ3 LYS 8 HZ3 LYS 8 11.244 5.313 0.921 68 H ALA 9 H ALA 9 6.064 1.187 -2.119 69 HA ALA 9 HA ALA 9 3.518 2.001 -3.135 70 HB1 ALA 9 HB1 ALA 9 5.313 1.303 -4.632 71 HB2 ALA 9 HB2 ALA 9 3.872 0.312 -4.857 72 HB3 ALA 9 HB3 ALA 9 5.250 -0.326 -3.959 73 H ALA 10 H ALA 10 4.581 -0.345 -0.884 74 HA ALA 10 HA ALA 10 2.167 -1.944 -1.036 75 HB1 ALA 10 HB1 ALA 10 3.102 -3.177 0.846 76 HB2 ALA 10 HB2 ALA 10 4.384 -1.977 1.020 77 HB3 ALA 10 HB3 ALA 10 4.310 -2.986 -0.425 78 H HIS 11 H HIS 11 3.001 1.013 0.188 79 HA HIS 11 HA HIS 11 1.048 0.869 2.377 80 HB2 HIS 11 HB3 HIS 11 3.276 2.845 1.861 81 HB3 HIS 11 HB2 HIS 11 2.076 3.032 3.137 82 HD1 HIS 11 HD1 HIS 11 2.768 2.121 5.339 83 HD2 HIS 11 HD2 HIS 11 4.728 0.240 2.187 84 HE1 HIS 11 HE1 HIS 11 4.364 0.489 6.399 85 HE2 HIS 11 HE2 HIS 11 5.365 -0.789 4.466 86 H VAL 12 H VAL 12 2.006 2.707 -0.471 87 HA VAL 12 HA VAL 12 -0.385 4.336 -0.406 88 HB VAL 12 HB VAL 12 1.570 4.050 -2.699 89 HG11 VAL 12 HG11 VAL 12 -0.264 6.311 -1.903 90 HG12 VAL 12 HG12 VAL 12 -0.522 5.193 -3.242 91 HG13 VAL 12 HG13 VAL 12 0.843 6.310 -3.277 92 HG21 VAL 12 HG21 VAL 12 2.798 4.601 -0.655 93 HG22 VAL 12 HG22 VAL 12 1.721 5.969 -0.376 94 HG23 VAL 12 HG23 VAL 12 2.781 5.956 -1.785 95 H GLY 13 H GLY 13 0.030 1.203 -0.958 96 HA2 GLY 13 HA3 GLY 13 -1.339 0.690 -3.372 97 HA3 GLY 13 HA2 GLY 13 -1.200 -0.420 -2.020 98 H LYS 14 H LYS 14 -2.427 1.337 -0.124 99 HA LYS 14 HA LYS 14 -5.193 0.818 -0.668 100 HB2 LYS 14 HB3 LYS 14 -5.547 1.640 1.591 101 HB3 LYS 14 HB2 LYS 14 -4.178 0.536 1.550 102 HG2 LYS 14 HG3 LYS 14 -2.624 2.357 1.644 103 HG3 LYS 14 HG2 LYS 14 -3.936 3.530 1.534 104 HD2 LYS 14 HD3 LYS 14 -4.794 2.833 3.676 105 HD3 LYS 14 HD2 LYS 14 -3.592 1.540 3.774 106 HE2 LYS 14 HE3 LYS 14 -1.807 3.190 3.791 107 HE3 LYS 14 HE2 LYS 14 -2.984 4.494 3.663 108 HZ1 LYS 14 HZ1 LYS 14 -2.796 2.579 5.933 109 HZ2 LYS 14 HZ2 LYS 14 -3.874 3.883 5.814 110 HZ3 LYS 14 HZ3 LYS 14 -2.206 4.166 5.938 111 H HIS 15 H HIS 15 -3.894 2.709 -2.445 112 HA HIS 15 HA HIS 15 -4.351 5.399 -1.743 113 HB2 HIS 15 HB3 HIS 15 -2.833 4.548 -3.578 114 HB3 HIS 15 HB2 HIS 15 -4.288 4.277 -4.542 115 HD1 HIS 15 HD1 HIS 15 -4.566 6.088 -6.169 116 HD2 HIS 15 HD2 HIS 15 -3.017 7.488 -2.576 117 HE1 HIS 15 HE1 HIS 15 -4.331 8.578 -6.456 118 HE2 HIS 15 HE2 HIS 15 -3.571 9.423 -4.199 119 H VAL 16 H VAL 16 -6.504 2.946 -2.663 120 HA VAL 16 HA VAL 16 -8.535 4.380 -3.925 121 HB VAL 16 HB VAL 16 -8.913 2.144 -1.932 122 HG11 VAL 16 HG11 VAL 16 -10.674 3.129 -4.174 123 HG12 VAL 16 HG12 VAL 16 -10.975 3.320 -2.446 124 HG13 VAL 16 HG13 VAL 16 -10.989 1.712 -3.171 125 HG21 VAL 16 HG21 VAL 16 -7.339 1.476 -3.681 126 HG22 VAL 16 HG22 VAL 16 -8.482 1.990 -4.921 127 HG23 VAL 16 HG23 VAL 16 -8.876 0.633 -3.868 128 H GLY 17 H GLY 17 -7.987 3.823 -0.466 129 HA2 GLY 17 HA3 GLY 17 -8.596 5.104 1.338 130 HA3 GLY 17 HA2 GLY 17 -8.976 6.398 0.210 131 H LYS 18 H LYS 18 -10.962 5.246 -1.314 132 HA LYS 18 HA LYS 18 -13.165 5.727 0.470 133 HB2 LYS 18 HB3 LYS 18 -13.036 4.990 -2.455 134 HB3 LYS 18 HB2 LYS 18 -14.562 5.184 -1.606 135 HG2 LYS 18 HG3 LYS 18 -14.114 7.215 -2.751 136 HG3 LYS 18 HG2 LYS 18 -13.855 7.516 -1.034 137 HD2 LYS 18 HD3 LYS 18 -11.436 7.246 -1.371 138 HD3 LYS 18 HD2 LYS 18 -11.713 6.970 -3.088 139 HE2 LYS 18 HE3 LYS 18 -12.426 9.488 -1.595 140 HE3 LYS 18 HE2 LYS 18 -10.989 9.275 -2.592 141 HZ1 LYS 18 HZ1 LYS 18 -12.626 8.708 -4.436 142 HZ2 LYS 18 HZ2 LYS 18 -12.509 10.331 -3.972 143 HZ3 LYS 18 HZ3 LYS 18 -13.819 9.397 -3.443 144 H ALA 19 H ALA 19 -11.666 2.903 -0.885 145 HA ALA 19 HA ALA 19 -13.668 1.224 0.462 146 HB1 ALA 19 HB1 ALA 19 -12.909 -0.606 -0.946 147 HB2 ALA 19 HB2 ALA 19 -11.672 0.429 -1.660 148 HB3 ALA 19 HB3 ALA 19 -13.379 0.774 -1.938 149 H ALA 20 H ALA 20 -10.878 2.653 1.148 150 HA ALA 20 HA ALA 20 -9.522 0.324 2.295 151 HB1 ALA 20 HB1 ALA 20 -8.178 1.895 0.983 152 HB2 ALA 20 HB2 ALA 20 -7.648 1.813 2.663 153 HB3 ALA 20 HB3 ALA 20 -8.607 3.184 2.107 154 H LEU 21 H LEU 21 -11.420 3.052 3.108 155 HA LEU 21 HA LEU 21 -10.709 3.437 5.784 156 HB2 LEU 21 HB3 LEU 21 -12.937 4.473 6.022 157 HB3 LEU 21 HB2 LEU 21 -12.048 5.050 4.626 158 HG LEU 21 HG LEU 21 -13.460 3.266 3.330 159 HD11 LEU 21 HD11 LEU 21 -15.709 2.975 4.255 160 HD12 LEU 21 HD12 LEU 21 -15.185 3.749 5.752 161 HD13 LEU 21 HD13 LEU 21 -14.478 2.211 5.258 162 HD21 LEU 21 HD21 LEU 21 -14.670 5.834 4.339 163 HD22 LEU 21 HD22 LEU 21 -15.156 4.955 2.888 164 HD23 LEU 21 HD23 LEU 21 -13.551 5.683 2.987 165 H THR 22 H THR 22 -12.276 0.837 4.291 166 HA THR 22 HA THR 22 -13.941 -0.008 6.438 167 HB THR 22 HB THR 22 -12.799 -1.731 4.231 168 HG1 THR 22 HG1 THR 22 -15.291 -0.358 4.158 169 HG21 THR 22 HG21 THR 22 -13.945 -2.949 6.035 170 HG22 THR 22 HG22 THR 22 -14.843 -3.034 4.520 171 HG23 THR 22 HG23 THR 22 -15.372 -1.942 5.801 172 H HIS 23 H HIS 23 -10.569 -0.157 5.888 173 HA HIS 23 HA HIS 23 -10.014 -2.518 7.406 174 HB2 HIS 23 HB3 HIS 23 -8.353 -0.276 6.318 175 HB3 HIS 23 HB2 HIS 23 -7.656 -1.371 7.507 176 HD1 HIS 23 HD1 HIS 23 -8.585 -1.132 3.933 177 HD2 HIS 23 HD2 HIS 23 -7.353 -4.064 6.607 178 HE1 HIS 23 HE1 HIS 23 -7.886 -3.085 2.516 179 HE2 HIS 23 HE2 HIS 23 -6.925 -4.742 4.149 180 H TYR 24 H TYR 24 -10.960 0.607 8.304 181 HA TYR 24 HA TYR 24 -10.286 -0.038 11.071 182 HB2 TYR 24 HB3 TYR 24 -10.065 2.619 11.245 183 HB3 TYR 24 HB2 TYR 24 -8.693 1.563 10.963 184 HD1 TYR 24 HD1 TYR 24 -10.982 4.008 9.447 185 HD2 TYR 24 HD2 TYR 24 -7.559 1.558 8.835 186 HE1 TYR 24 HE1 TYR 24 -10.439 5.282 7.412 187 HE2 TYR 24 HE2 TYR 24 -7.016 2.812 6.795 188 HH TYR 24 HH TYR 24 -8.086 4.219 5.149 189 H LEU 25 H LEU 25 -12.474 1.435 8.813 190 HA LEU 25 HA LEU 25 -14.362 1.901 11.022 191 HB2 LEU 25 HB3 LEU 25 -14.251 3.285 8.339 192 HB3 LEU 25 HB2 LEU 25 -15.441 3.575 9.591 193 HG LEU 25 HG LEU 25 -12.490 4.129 9.833 194 HD11 LEU 25 HD11 LEU 25 -14.809 6.016 9.481 195 HD12 LEU 25 HD12 LEU 25 -13.638 5.588 8.234 196 HD13 LEU 25 HD13 LEU 25 -13.114 6.463 9.675 197 HD21 LEU 25 HD21 LEU 25 -13.473 3.598 11.981 198 HD22 LEU 25 HD22 LEU 25 -14.799 4.719 11.680 199 HD23 LEU 25 HD23 LEU 25 -13.158 5.331 11.882 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 12.882 -10.093 -3.628 2 H2 GLY 1 HT2 GLY 1 12.659 -8.423 -3.421 3 H3 GLY 1 HT3 GLY 1 11.733 -9.271 -4.563 4 HA2 GLY 1 HA2 GLY 1 10.631 -10.515 -2.831 5 HA3 GLY 1 HA3 GLY 1 11.628 -9.704 -1.628 6 H TRP 2 H TRP 2 8.672 -9.685 -3.143 7 HA TRP 2 HA TRP 2 8.201 -6.883 -3.325 8 HB2 TRP 2 HB3 TRP 2 6.860 -8.647 -4.511 9 HB3 TRP 2 HB2 TRP 2 6.148 -9.071 -2.957 10 HD1 TRP 2 HD1 TRP 2 4.084 -7.701 -2.201 11 HE1 TRP 2 HE1 TRP 2 2.823 -5.648 -3.121 12 HE3 TRP 2 HE3 TRP 2 7.354 -6.335 -5.879 13 HZ2 TRP 2 HZ2 TRP 2 3.186 -3.707 -5.138 14 HZ3 TRP 2 HZ3 TRP 2 6.824 -4.370 -7.259 15 HH2 TRP 2 HH2 TRP 2 4.782 -3.086 -6.894 16 H GLY 3 H GLY 3 8.443 -5.656 -1.589 17 HA2 GLY 3 HA3 GLY 3 6.970 -5.045 0.419 18 HA3 GLY 3 HA2 GLY 3 7.443 -6.638 1.002 19 H SER 4 H SER 4 10.128 -6.161 -0.348 20 HA SER 4 HA SER 4 11.493 -5.075 1.909 21 HB2 SER 4 HB3 SER 4 12.540 -5.701 -0.866 22 HB3 SER 4 HB2 SER 4 13.521 -5.439 0.576 23 HG SER 4 HG SER 4 13.332 -7.594 0.514 24 H PHE 5 H PHE 5 9.673 -3.503 -0.189 25 HA PHE 5 HA PHE 5 11.429 -1.157 -0.391 26 HB2 PHE 5 HB3 PHE 5 8.828 -1.655 -1.858 27 HB3 PHE 5 HB2 PHE 5 9.988 -0.367 -2.165 28 HD1 PHE 5 HD1 PHE 5 12.300 -1.023 -2.993 29 HD2 PHE 5 HD2 PHE 5 8.988 -3.693 -2.962 30 HE1 PHE 5 HE1 PHE 5 13.428 -2.441 -4.653 31 HE2 PHE 5 HE2 PHE 5 10.114 -5.116 -4.623 32 HZ PHE 5 HZ PHE 5 12.337 -4.489 -5.469 33 H PHE 6 H PHE 6 9.192 -2.506 1.522 34 HA PHE 6 HA PHE 6 7.424 -1.876 2.795 35 HB2 PHE 6 HB3 PHE 6 8.260 -0.162 4.519 36 HB3 PHE 6 HB2 PHE 6 9.094 -1.697 4.345 37 HD1 PHE 6 HD2 PHE 6 11.310 -1.798 3.305 38 HD2 PHE 6 HD1 PHE 6 9.353 1.911 4.034 39 HE1 PHE 6 HE2 PHE 6 13.448 -0.618 3.030 40 HE2 PHE 6 HE1 PHE 6 11.490 3.094 3.765 41 HZ PHE 6 HZ PHE 6 13.542 1.829 3.260 42 H LYS 7 H LYS 7 8.688 1.414 2.400 43 HA LYS 7 HA LYS 7 6.241 2.707 2.475 44 HB2 LYS 7 HB3 LYS 7 8.845 3.450 2.375 45 HB3 LYS 7 HB2 LYS 7 8.346 3.864 0.742 46 HG2 LYS 7 HG3 LYS 7 6.858 4.806 3.176 47 HG3 LYS 7 HG2 LYS 7 8.212 5.688 2.475 48 HD2 LYS 7 HD3 LYS 7 5.728 4.910 0.964 49 HD3 LYS 7 HD2 LYS 7 5.973 6.486 1.718 50 HE2 LYS 7 HE3 LYS 7 7.550 5.255 -0.540 51 HE3 LYS 7 HE2 LYS 7 6.531 6.695 -0.596 52 HZ1 LYS 7 HZ1 LYS 7 9.181 6.360 0.678 53 HZ2 LYS 7 HZ2 LYS 7 8.143 7.622 1.133 54 HZ3 LYS 7 HZ3 LYS 7 8.697 7.516 -0.468 55 H LYS 8 H LYS 8 8.065 1.460 -0.298 56 HA LYS 8 HA LYS 8 5.923 2.248 -2.115 57 HB2 LYS 8 HB3 LYS 8 8.684 1.119 -2.603 58 HB3 LYS 8 HB2 LYS 8 7.508 1.366 -3.881 59 HG2 LYS 8 HG3 LYS 8 8.966 3.207 -3.932 60 HG3 LYS 8 HG2 LYS 8 7.453 3.786 -3.240 61 HD2 LYS 8 HD3 LYS 8 9.260 4.717 -1.974 62 HD3 LYS 8 HD2 LYS 8 8.471 3.496 -0.975 63 HE2 LYS 8 HE3 LYS 8 10.879 3.301 -0.782 64 HE3 LYS 8 HE2 LYS 8 10.216 1.881 -1.593 65 HZ1 LYS 8 HZ1 LYS 8 11.298 4.181 -3.111 66 HZ2 LYS 8 HZ2 LYS 8 11.026 2.595 -3.649 67 HZ3 LYS 8 HZ3 LYS 8 12.294 2.916 -2.574 68 H ALA 9 H ALA 9 4.743 0.539 -0.666 69 HA ALA 9 HA ALA 9 4.602 -1.835 -2.375 70 HB1 ALA 9 HB1 ALA 9 5.805 -2.517 -0.357 71 HB2 ALA 9 HB2 ALA 9 4.228 -3.299 -0.458 72 HB3 ALA 9 HB3 ALA 9 4.472 -1.938 0.638 73 H ALA 10 H ALA 10 2.747 -1.372 0.570 74 HA ALA 10 HA ALA 10 0.377 -0.884 -1.103 75 HB1 ALA 10 HB1 ALA 10 0.530 -2.097 1.654 76 HB2 ALA 10 HB2 ALA 10 0.309 -2.984 0.144 77 HB3 ALA 10 HB3 ALA 10 -0.938 -1.869 0.702 78 H HIS 11 H HIS 11 2.510 0.713 0.785 79 HA HIS 11 HA HIS 11 0.810 2.235 2.473 80 HB2 HIS 11 HB3 HIS 11 3.639 2.609 1.532 81 HB3 HIS 11 HB2 HIS 11 2.826 3.843 2.494 82 HD1 HIS 11 HD1 HIS 11 4.504 0.572 2.736 83 HD2 HIS 11 HD2 HIS 11 2.126 2.991 5.138 84 HE1 HIS 11 HE1 HIS 11 4.719 -0.351 5.049 85 HE2 HIS 11 HE2 HIS 11 3.429 1.228 6.517 86 H VAL 12 H VAL 12 1.811 2.519 -0.837 87 HA VAL 12 HA VAL 12 0.558 5.142 -1.089 88 HB VAL 12 HB VAL 12 1.311 5.010 -3.468 89 HG11 VAL 12 HG11 VAL 12 3.407 4.699 -1.327 90 HG12 VAL 12 HG12 VAL 12 2.644 6.201 -1.856 91 HG13 VAL 12 HG13 VAL 12 3.713 5.318 -2.950 92 HG21 VAL 12 HG21 VAL 12 3.004 3.307 -4.048 93 HG22 VAL 12 HG22 VAL 12 1.405 2.617 -3.769 94 HG23 VAL 12 HG23 VAL 12 2.653 2.478 -2.532 95 H GLY 13 H GLY 13 -0.038 1.812 -1.723 96 HA2 GLY 13 HA3 GLY 13 -2.054 2.087 -3.696 97 HA3 GLY 13 HA2 GLY 13 -1.780 0.676 -2.687 98 H LYS 14 H LYS 14 -2.078 2.333 -0.219 99 HA LYS 14 HA LYS 14 -4.863 1.977 0.149 100 HB2 LYS 14 HB3 LYS 14 -4.486 2.838 2.385 101 HB3 LYS 14 HB2 LYS 14 -3.214 1.719 1.940 102 HG2 LYS 14 HG3 LYS 14 -1.866 3.271 2.763 103 HG3 LYS 14 HG2 LYS 14 -2.090 4.037 1.190 104 HD2 LYS 14 HD3 LYS 14 -3.687 5.539 2.029 105 HD3 LYS 14 HD2 LYS 14 -3.922 4.589 3.501 106 HE2 LYS 14 HE3 LYS 14 -2.597 6.551 4.005 107 HE3 LYS 14 HE2 LYS 14 -1.627 5.084 4.166 108 HZ1 LYS 14 HZ1 LYS 14 -0.568 5.513 2.101 109 HZ2 LYS 14 HZ2 LYS 14 -0.485 6.943 3.010 110 HZ3 LYS 14 HZ3 LYS 14 -1.609 6.800 1.748 111 H HIS 15 H HIS 15 -3.452 4.254 -1.637 112 HA HIS 15 HA HIS 15 -4.648 6.672 -0.797 113 HB2 HIS 15 HB3 HIS 15 -2.770 6.256 -2.556 114 HB3 HIS 15 HB2 HIS 15 -4.107 6.029 -3.681 115 HD1 HIS 15 HD1 HIS 15 -5.515 8.112 -4.300 116 HD2 HIS 15 HD2 HIS 15 -2.349 8.896 -1.718 117 HE1 HIS 15 HE1 HIS 15 -5.251 10.613 -4.286 118 HE2 HIS 15 HE2 HIS 15 -3.203 11.043 -2.882 119 H VAL 16 H VAL 16 -5.838 3.873 -2.373 120 HA VAL 16 HA VAL 16 -8.129 4.832 -3.657 121 HB VAL 16 HB VAL 16 -7.807 2.215 -2.192 122 HG11 VAL 16 HG11 VAL 16 -9.710 3.013 -4.389 123 HG12 VAL 16 HG12 VAL 16 -10.131 2.720 -2.701 124 HG13 VAL 16 HG13 VAL 16 -9.547 1.397 -3.707 125 HG21 VAL 16 HG21 VAL 16 -7.249 2.889 -5.079 126 HG22 VAL 16 HG22 VAL 16 -7.175 1.279 -4.367 127 HG23 VAL 16 HG23 VAL 16 -6.039 2.526 -3.847 128 H GLY 17 H GLY 17 -7.921 3.436 -0.389 129 HA2 GLY 17 HA3 GLY 17 -9.047 4.032 1.529 130 HA3 GLY 17 HA2 GLY 17 -9.595 5.484 0.700 131 H LYS 18 H LYS 18 -10.949 4.302 -1.465 132 HA LYS 18 HA LYS 18 -13.401 3.695 -0.060 133 HB2 LYS 18 HB3 LYS 18 -12.763 3.961 -2.995 134 HB3 LYS 18 HB2 LYS 18 -14.356 3.500 -2.418 135 HG2 LYS 18 HG3 LYS 18 -14.523 5.787 -2.790 136 HG3 LYS 18 HG2 LYS 18 -14.286 5.657 -1.047 137 HD2 LYS 18 HD3 LYS 18 -11.884 6.117 -1.374 138 HD3 LYS 18 HD2 LYS 18 -12.177 6.306 -3.102 139 HE2 LYS 18 HE3 LYS 18 -12.114 8.487 -2.154 140 HE3 LYS 18 HE2 LYS 18 -13.793 8.129 -2.554 141 HZ1 LYS 18 HZ1 LYS 18 -12.607 7.866 0.162 142 HZ2 LYS 18 HZ2 LYS 18 -14.240 7.643 -0.248 143 HZ3 LYS 18 HZ3 LYS 18 -13.534 9.182 -0.369 144 H ALA 19 H ALA 19 -11.926 1.971 -2.816 145 HA ALA 19 HA ALA 19 -13.191 -0.479 -1.951 146 HB1 ALA 19 HB1 ALA 19 -11.342 0.073 -4.267 147 HB2 ALA 19 HB2 ALA 19 -13.106 0.059 -4.313 148 HB3 ALA 19 HB3 ALA 19 -12.219 -1.431 -3.991 149 H ALA 20 H ALA 20 -10.991 0.770 -0.313 150 HA ALA 20 HA ALA 20 -9.237 -1.593 -0.240 151 HB1 ALA 20 HB1 ALA 20 -7.333 -0.211 0.269 152 HB2 ALA 20 HB2 ALA 20 -8.332 1.240 0.218 153 HB3 ALA 20 HB3 ALA 20 -8.055 0.307 -1.253 154 H LEU 21 H LEU 21 -11.499 0.145 1.402 155 HA LEU 21 HA LEU 21 -10.356 0.364 3.982 156 HB2 LEU 21 HB3 LEU 21 -12.715 0.565 4.764 157 HB3 LEU 21 HB2 LEU 21 -12.276 1.680 3.490 158 HG LEU 21 HG LEU 21 -13.373 -0.041 1.901 159 HD11 LEU 21 HD11 LEU 21 -13.613 -1.850 3.527 160 HD12 LEU 21 HD12 LEU 21 -15.174 -1.344 2.882 161 HD13 LEU 21 HD13 LEU 21 -14.684 -0.838 4.497 162 HD21 LEU 21 HD21 LEU 21 -15.011 1.616 3.809 163 HD22 LEU 21 HD22 LEU 21 -15.560 1.005 2.251 164 HD23 LEU 21 HD23 LEU 21 -14.247 2.179 2.325 165 H THR 22 H THR 22 -11.136 -2.333 2.215 166 HA THR 22 HA THR 22 -12.000 -3.999 4.423 167 HB THR 22 HB THR 22 -11.206 -5.374 1.976 168 HG1 THR 22 HG1 THR 22 -12.069 -4.051 0.581 169 HG21 THR 22 HG21 THR 22 -13.486 -6.243 2.125 170 HG22 THR 22 HG22 THR 22 -13.861 -5.060 3.378 171 HG23 THR 22 HG23 THR 22 -12.680 -6.332 3.693 172 H HIS 23 H HIS 23 -9.061 -2.905 3.226 173 HA HIS 23 HA HIS 23 -7.638 -5.394 3.832 174 HB2 HIS 23 HB3 HIS 23 -6.784 -2.882 2.396 175 HB3 HIS 23 HB2 HIS 23 -5.669 -4.177 2.815 176 HD1 HIS 23 HD1 HIS 23 -6.929 -3.113 -0.109 177 HD2 HIS 23 HD2 HIS 23 -7.412 -6.741 1.869 178 HE1 HIS 23 HE1 HIS 23 -7.612 -4.766 -1.875 179 HE2 HIS 23 HE2 HIS 23 -7.643 -6.995 -0.688 180 H TYR 24 H TYR 24 -8.235 -2.279 5.141 181 HA TYR 24 HA TYR 24 -6.431 -2.889 7.338 182 HB2 TYR 24 HB3 TYR 24 -5.827 -0.398 7.341 183 HB3 TYR 24 HB2 TYR 24 -5.028 -1.426 6.163 184 HD1 TYR 24 HD1 TYR 24 -7.832 0.991 6.571 185 HD2 TYR 24 HD2 TYR 24 -5.140 -0.915 3.888 186 HE1 TYR 24 HE1 TYR 24 -8.567 2.499 4.777 187 HE2 TYR 24 HE2 TYR 24 -5.867 0.585 2.085 188 HH TYR 24 HH TYR 24 -7.728 3.367 2.642 189 H LEU 25 H LEU 25 -6.930 -1.789 9.285 190 HA LEU 25 HA LEU 25 -8.254 -0.912 10.891 191 HB2 LEU 25 HB3 LEU 25 -9.608 0.538 8.613 192 HB3 LEU 25 HB2 LEU 25 -9.753 0.925 10.319 193 HG LEU 25 HG LEU 25 -7.216 1.099 8.700 194 HD11 LEU 25 HD11 LEU 25 -8.977 3.297 9.757 195 HD12 LEU 25 HD12 LEU 25 -8.943 2.748 8.084 196 HD13 LEU 25 HD13 LEU 25 -7.506 3.483 8.800 197 HD21 LEU 25 HD21 LEU 25 -6.812 0.599 11.059 198 HD22 LEU 25 HD22 LEU 25 -7.820 1.971 11.525 199 HD23 LEU 25 HD23 LEU 25 -6.307 2.241 10.657 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -4.428 -9.796 -6.055 2 H2 GLY 1 HT2 GLY 1 -3.854 -8.264 -5.619 3 H3 GLY 1 HT3 GLY 1 -3.618 -9.583 -4.579 4 HA2 GLY 1 HA2 GLY 1 -2.210 -10.643 -6.272 5 HA3 GLY 1 HA3 GLY 1 -2.399 -9.198 -7.255 6 H TRP 2 H TRP 2 -0.057 -10.532 -5.873 7 HA TRP 2 HA TRP 2 1.001 -8.096 -4.644 8 HB2 TRP 2 HB3 TRP 2 0.196 -9.636 -2.835 9 HB3 TRP 2 HB2 TRP 2 1.328 -10.847 -3.422 10 HD1 TRP 2 HD1 TRP 2 1.241 -7.465 -1.619 11 HE1 TRP 2 HE1 TRP 2 3.487 -7.126 -0.404 12 HE3 TRP 2 HE3 TRP 2 3.763 -11.521 -3.441 13 HZ2 TRP 2 HZ2 TRP 2 5.997 -8.416 -0.245 14 HZ3 TRP 2 HZ3 TRP 2 6.076 -11.900 -2.701 15 HH2 TRP 2 HH2 TRP 2 7.170 -10.379 -1.136 16 H GLY 3 H GLY 3 3.131 -7.728 -5.130 17 HA2 GLY 3 HA3 GLY 3 4.726 -9.799 -6.383 18 HA3 GLY 3 HA2 GLY 3 4.190 -8.515 -7.459 19 H SER 4 H SER 4 5.973 -7.435 -7.904 20 HA SER 4 HA SER 4 7.951 -6.850 -5.884 21 HB2 SER 4 HB3 SER 4 7.850 -5.667 -8.655 22 HB3 SER 4 HB2 SER 4 9.264 -5.997 -7.653 23 HG SER 4 HG SER 4 7.583 -7.857 -8.985 24 H PHE 5 H PHE 5 5.071 -5.748 -6.009 25 HA PHE 5 HA PHE 5 5.604 -2.873 -5.907 26 HB2 PHE 5 HB3 PHE 5 3.003 -4.327 -5.370 27 HB3 PHE 5 HB2 PHE 5 3.210 -2.612 -5.700 28 HD1 PHE 5 HD2 PHE 5 3.694 -1.834 -7.971 29 HD2 PHE 5 HD1 PHE 5 2.963 -5.942 -7.138 30 HE1 PHE 5 HE2 PHE 5 3.313 -2.251 -10.365 31 HE2 PHE 5 HE1 PHE 5 2.577 -6.365 -9.531 32 HZ PHE 5 HZ PHE 5 2.754 -4.517 -11.149 33 H PHE 6 H PHE 6 6.437 -5.122 -3.953 34 HA PHE 6 HA PHE 6 5.016 -5.266 -1.645 35 HB2 PHE 6 HB3 PHE 6 6.894 -6.681 -2.006 36 HB3 PHE 6 HB2 PHE 6 7.999 -5.315 -2.059 37 HD1 PHE 6 HD1 PHE 6 5.426 -6.614 0.322 38 HD2 PHE 6 HD2 PHE 6 9.380 -5.160 -0.258 39 HE1 PHE 6 HE1 PHE 6 5.878 -6.892 2.720 40 HE2 PHE 6 HE2 PHE 6 9.836 -5.434 2.142 41 HZ PHE 6 HZ PHE 6 8.085 -6.301 3.635 42 H LYS 7 H LYS 7 7.751 -2.954 -2.033 43 HA LYS 7 HA LYS 7 7.308 -1.929 0.572 44 HB2 LYS 7 HB3 LYS 7 9.128 -1.257 -1.693 45 HB3 LYS 7 HB2 LYS 7 8.986 -0.159 -0.340 46 HG2 LYS 7 HG3 LYS 7 9.797 -3.053 -0.185 47 HG3 LYS 7 HG2 LYS 7 10.869 -1.659 -0.034 48 HD2 LYS 7 HD3 LYS 7 8.543 -2.204 1.805 49 HD3 LYS 7 HD2 LYS 7 10.202 -2.693 2.146 50 HE2 LYS 7 HE3 LYS 7 9.517 0.162 1.526 51 HE3 LYS 7 HE2 LYS 7 9.340 -0.486 3.155 52 HZ1 LYS 7 HZ1 LYS 7 11.886 -0.936 1.785 53 HZ2 LYS 7 HZ2 LYS 7 11.573 -0.657 3.431 54 HZ3 LYS 7 HZ3 LYS 7 11.561 0.633 2.332 55 H LYS 8 H LYS 8 5.833 -1.160 -2.412 56 HA LYS 8 HA LYS 8 5.084 1.484 -1.396 57 HB2 LYS 8 HB3 LYS 8 4.916 0.445 -4.223 58 HB3 LYS 8 HB2 LYS 8 4.518 2.073 -3.699 59 HG2 LYS 8 HG3 LYS 8 6.622 2.331 -4.575 60 HG3 LYS 8 HG2 LYS 8 6.963 2.144 -2.860 61 HD2 LYS 8 HD3 LYS 8 8.531 0.812 -4.085 62 HD3 LYS 8 HD2 LYS 8 7.389 -0.282 -3.304 63 HE2 LYS 8 HE3 LYS 8 7.806 -1.002 -5.576 64 HE3 LYS 8 HE2 LYS 8 6.139 -0.451 -5.411 65 HZ1 LYS 8 HZ1 LYS 8 6.905 1.725 -6.331 66 HZ2 LYS 8 HZ2 LYS 8 6.985 0.434 -7.420 67 HZ3 LYS 8 HZ3 LYS 8 8.402 0.999 -6.678 68 H ALA 9 H ALA 9 3.904 -1.588 -1.672 69 HA ALA 9 HA ALA 9 1.401 -1.388 -2.826 70 HB1 ALA 9 HB1 ALA 9 0.811 -3.406 -1.613 71 HB2 ALA 9 HB2 ALA 9 2.165 -3.159 -0.511 72 HB3 ALA 9 HB3 ALA 9 2.468 -3.506 -2.214 73 H ALA 10 H ALA 10 1.897 -1.478 0.712 74 HA ALA 10 HA ALA 10 -0.706 -0.257 1.082 75 HB1 ALA 10 HB1 ALA 10 -0.383 -0.719 3.440 76 HB2 ALA 10 HB2 ALA 10 1.302 -1.145 3.150 77 HB3 ALA 10 HB3 ALA 10 0.013 -2.152 2.491 78 H HIS 11 H HIS 11 1.773 1.184 0.018 79 HA HIS 11 HA HIS 11 1.869 3.342 2.022 80 HB2 HIS 11 HB3 HIS 11 4.018 2.056 1.373 81 HB3 HIS 11 HB2 HIS 11 3.941 3.006 -0.111 82 HD1 HIS 11 HD1 HIS 11 5.088 5.202 0.003 83 HD2 HIS 11 HD2 HIS 11 3.927 3.838 3.757 84 HE1 HIS 11 HE1 HIS 11 5.865 6.940 1.640 85 HE2 HIS 11 HE2 HIS 11 4.997 6.188 3.877 86 H VAL 12 H VAL 12 1.779 2.700 -1.486 87 HA VAL 12 HA VAL 12 0.761 5.433 -1.847 88 HB VAL 12 HB VAL 12 1.120 5.143 -4.246 89 HG11 VAL 12 HG11 VAL 12 3.576 5.062 -4.228 90 HG12 VAL 12 HG12 VAL 12 3.524 4.456 -2.573 91 HG13 VAL 12 HG13 VAL 12 2.920 6.072 -2.940 92 HG21 VAL 12 HG21 VAL 12 2.351 3.195 -5.109 93 HG22 VAL 12 HG22 VAL 12 0.759 2.761 -4.480 94 HG23 VAL 12 HG23 VAL 12 2.209 2.426 -3.528 95 H GLY 13 H GLY 13 -0.073 2.060 -2.246 96 HA2 GLY 13 HA3 GLY 13 -2.474 2.433 -3.697 97 HA3 GLY 13 HA2 GLY 13 -2.053 1.012 -2.752 98 H LYS 14 H LYS 14 -1.694 2.747 -0.335 99 HA LYS 14 HA LYS 14 -4.227 2.427 0.796 100 HB2 LYS 14 HB3 LYS 14 -3.317 3.657 2.717 101 HB3 LYS 14 HB2 LYS 14 -2.190 2.452 2.112 102 HG2 LYS 14 HG3 LYS 14 -0.796 4.221 2.497 103 HG3 LYS 14 HG2 LYS 14 -1.174 4.448 0.792 104 HD2 LYS 14 HD3 LYS 14 -1.353 6.587 1.812 105 HD3 LYS 14 HD2 LYS 14 -3.004 6.029 1.530 106 HE2 LYS 14 HE3 LYS 14 -2.942 6.965 3.715 107 HE3 LYS 14 HE2 LYS 14 -3.036 5.217 3.900 108 HZ1 LYS 14 HZ1 LYS 14 -0.534 6.811 4.087 109 HZ2 LYS 14 HZ2 LYS 14 -0.679 5.142 4.351 110 HZ3 LYS 14 HZ3 LYS 14 -1.425 6.240 5.414 111 H HIS 15 H HIS 15 -2.981 4.955 -1.171 112 HA HIS 15 HA HIS 15 -4.553 7.117 -0.253 113 HB2 HIS 15 HB3 HIS 15 -3.237 6.502 -2.878 114 HB3 HIS 15 HB2 HIS 15 -4.286 7.905 -2.705 115 HD1 HIS 15 HD1 HIS 15 -0.942 7.464 -2.963 116 HD2 HIS 15 HD2 HIS 15 -3.226 9.088 0.120 117 HE1 HIS 15 HE1 HIS 15 0.628 8.921 -1.637 118 HE2 HIS 15 HE2 HIS 15 -0.751 9.817 0.276 119 H VAL 16 H VAL 16 -5.141 4.570 -2.607 120 HA VAL 16 HA VAL 16 -7.894 5.541 -2.835 121 HB VAL 16 HB VAL 16 -7.990 3.926 -4.773 122 HG11 VAL 16 HG11 VAL 16 -8.008 6.348 -5.055 123 HG12 VAL 16 HG12 VAL 16 -7.064 5.590 -6.337 124 HG13 VAL 16 HG13 VAL 16 -6.246 6.378 -4.989 125 HG21 VAL 16 HG21 VAL 16 -5.945 2.697 -4.340 126 HG22 VAL 16 HG22 VAL 16 -4.998 4.169 -4.555 127 HG23 VAL 16 HG23 VAL 16 -5.865 3.472 -5.922 128 H GLY 17 H GLY 17 -6.494 3.756 -0.841 129 HA2 GLY 17 HA3 GLY 17 -7.322 1.106 -1.020 130 HA3 GLY 17 HA2 GLY 17 -7.025 1.960 0.486 131 H LYS 18 H LYS 18 -9.273 3.831 -0.756 132 HA LYS 18 HA LYS 18 -11.330 2.647 0.874 133 HB2 LYS 18 HB3 LYS 18 -12.653 4.692 0.022 134 HB3 LYS 18 HB2 LYS 18 -11.293 4.957 1.098 135 HG2 LYS 18 HG3 LYS 18 -11.146 6.609 -0.568 136 HG3 LYS 18 HG2 LYS 18 -9.911 5.416 -0.964 137 HD2 LYS 18 HD3 LYS 18 -11.241 4.509 -2.718 138 HD3 LYS 18 HD2 LYS 18 -12.652 5.439 -2.211 139 HE2 LYS 18 HE3 LYS 18 -10.082 6.590 -3.300 140 HE3 LYS 18 HE2 LYS 18 -11.588 6.406 -4.197 141 HZ1 LYS 18 HZ1 LYS 18 -11.419 8.649 -3.431 142 HZ2 LYS 18 HZ2 LYS 18 -11.120 8.153 -1.838 143 HZ3 LYS 18 HZ3 LYS 18 -12.644 7.889 -2.534 144 H ALA 19 H ALA 19 -10.401 2.368 -2.346 145 HA ALA 19 HA ALA 19 -12.934 0.983 -2.918 146 HB1 ALA 19 HB1 ALA 19 -12.865 3.076 -4.206 147 HB2 ALA 19 HB2 ALA 19 -12.796 1.660 -5.254 148 HB3 ALA 19 HB3 ALA 19 -11.329 2.581 -4.917 149 H ALA 20 H ALA 20 -9.828 0.602 -2.233 150 HA ALA 20 HA ALA 20 -9.165 -1.318 -4.339 151 HB1 ALA 20 HB1 ALA 20 -6.934 -1.323 -3.332 152 HB2 ALA 20 HB2 ALA 20 -7.506 -0.228 -2.077 153 HB3 ALA 20 HB3 ALA 20 -7.456 0.307 -3.756 154 H LEU 21 H LEU 21 -10.159 -1.092 -1.070 155 HA LEU 21 HA LEU 21 -9.338 -3.619 -0.130 156 HB2 LEU 21 HB3 LEU 21 -11.037 -3.240 1.638 157 HB3 LEU 21 HB2 LEU 21 -9.940 -1.894 1.411 158 HG LEU 21 HG LEU 21 -11.823 -0.870 -0.043 159 HD11 LEU 21 HD11 LEU 21 -13.253 -2.831 -0.189 160 HD12 LEU 21 HD12 LEU 21 -14.084 -1.516 0.641 161 HD13 LEU 21 HD13 LEU 21 -13.416 -2.860 1.566 162 HD21 LEU 21 HD21 LEU 21 -12.132 -1.125 2.941 163 HD22 LEU 21 HD22 LEU 21 -12.825 0.141 1.928 164 HD23 LEU 21 HD23 LEU 21 -11.076 0.012 2.100 165 H THR 22 H THR 22 -11.608 -2.741 -2.423 166 HA THR 22 HA THR 22 -13.395 -4.995 -2.032 167 HB THR 22 HB THR 22 -13.259 -3.126 -4.408 168 HG1 THR 22 HG1 THR 22 -14.882 -2.866 -2.069 169 HG21 THR 22 HG21 THR 22 -15.513 -4.804 -3.293 170 HG22 THR 22 HG22 THR 22 -14.609 -5.134 -4.769 171 HG23 THR 22 HG23 THR 22 -15.633 -3.703 -4.669 172 H HIS 23 H HIS 23 -10.412 -4.391 -3.527 173 HA HIS 23 HA HIS 23 -10.792 -6.445 -5.578 174 HB2 HIS 23 HB3 HIS 23 -8.461 -4.569 -5.121 175 HB3 HIS 23 HB2 HIS 23 -8.636 -5.678 -6.477 176 HD1 HIS 23 HD1 HIS 23 -8.632 -2.331 -6.195 177 HD2 HIS 23 HD2 HIS 23 -11.637 -4.920 -7.455 178 HE1 HIS 23 HE1 HIS 23 -10.200 -0.932 -7.574 179 HE2 HIS 23 HE2 HIS 23 -11.918 -2.550 -8.463 180 H TYR 24 H TYR 24 -8.191 -5.574 -3.272 181 HA TYR 24 HA TYR 24 -7.649 -8.443 -3.011 182 HB2 TYR 24 HB3 TYR 24 -5.396 -7.674 -2.146 183 HB3 TYR 24 HB2 TYR 24 -5.701 -7.408 -3.852 184 HD1 TYR 24 HD1 TYR 24 -6.211 -5.533 -0.638 185 HD2 TYR 24 HD2 TYR 24 -4.921 -5.424 -4.688 186 HE1 TYR 24 HE1 TYR 24 -5.564 -3.178 -0.362 187 HE2 TYR 24 HE2 TYR 24 -4.277 -3.068 -4.427 188 HH TYR 24 HH TYR 24 -4.656 -1.190 -3.065 189 H LEU 25 H LEU 25 -6.525 -8.932 -0.838 190 HA LEU 25 HA LEU 25 -6.652 -9.186 1.401 191 HB2 LEU 25 HB3 LEU 25 -7.854 -6.419 1.375 192 HB3 LEU 25 HB2 LEU 25 -7.383 -7.292 2.819 193 HG LEU 25 HG LEU 25 -5.507 -6.440 0.617 194 HD11 LEU 25 HD11 LEU 25 -5.864 -5.300 3.379 195 HD12 LEU 25 HD12 LEU 25 -6.470 -4.569 1.895 196 HD13 LEU 25 HD13 LEU 25 -4.733 -4.750 2.143 197 HD21 LEU 25 HD21 LEU 25 -3.738 -7.094 2.139 198 HD22 LEU 25 HD22 LEU 25 -4.799 -8.467 1.817 199 HD23 LEU 25 HD23 LEU 25 -4.928 -7.594 3.343 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 14.509 -7.150 -7.775 2 H2 GLY 1 HT2 GLY 1 14.257 -6.182 -9.140 3 H3 GLY 1 HT3 GLY 1 12.945 -6.965 -8.407 4 HA2 GLY 1 HA2 GLY 1 14.566 -4.757 -7.263 5 HA3 GLY 1 HA3 GLY 1 12.897 -4.659 -7.802 6 H TRP 2 H TRP 2 11.571 -4.495 -6.151 7 HA TRP 2 HA TRP 2 10.447 -4.947 -4.239 8 HB2 TRP 2 HB3 TRP 2 12.227 -7.370 -4.217 9 HB3 TRP 2 HB2 TRP 2 11.107 -7.032 -2.902 10 HD1 TRP 2 HD1 TRP 2 11.069 -7.796 -6.696 11 HE1 TRP 2 HE1 TRP 2 8.789 -8.855 -7.276 12 HE3 TRP 2 HE3 TRP 2 8.771 -7.338 -2.142 13 HZ2 TRP 2 HZ2 TRP 2 6.355 -9.413 -5.977 14 HZ3 TRP 2 HZ3 TRP 2 6.467 -8.164 -1.902 15 HH2 TRP 2 HH2 TRP 2 5.286 -9.179 -3.779 16 H GLY 3 H GLY 3 13.963 -5.075 -4.019 17 HA2 GLY 3 HA3 GLY 3 14.137 -4.503 -1.256 18 HA3 GLY 3 HA2 GLY 3 15.411 -4.231 -2.440 19 H SER 4 H SER 4 13.874 -2.768 -0.145 20 HA SER 4 HA SER 4 13.210 -0.721 0.470 21 HB2 SER 4 HB3 SER 4 14.343 1.220 -0.453 22 HB3 SER 4 HB2 SER 4 15.490 -0.101 -0.263 23 HG SER 4 HG SER 4 14.718 -0.450 -2.645 24 H PHE 5 H PHE 5 11.857 -2.228 -1.869 25 HA PHE 5 HA PHE 5 9.927 -0.064 -2.371 26 HB2 PHE 5 HB3 PHE 5 11.175 -1.877 -4.423 27 HB3 PHE 5 HB2 PHE 5 9.592 -1.156 -4.691 28 HD1 PHE 5 HD1 PHE 5 9.355 1.227 -5.052 29 HD2 PHE 5 HD2 PHE 5 13.184 -0.525 -4.425 30 HE1 PHE 5 HE1 PHE 5 10.428 3.281 -5.877 31 HE2 PHE 5 HE2 PHE 5 14.262 1.527 -5.248 32 HZ PHE 5 HZ PHE 5 12.882 3.432 -5.975 33 H PHE 6 H PHE 6 10.135 -2.364 -0.544 34 HA PHE 6 HA PHE 6 7.754 -3.876 -1.364 35 HB2 PHE 6 HB3 PHE 6 9.527 -5.361 -0.774 36 HB3 PHE 6 HB2 PHE 6 9.915 -4.437 0.673 37 HD1 PHE 6 HD1 PHE 6 7.141 -6.413 -0.844 38 HD2 PHE 6 HD2 PHE 6 9.108 -5.152 2.712 39 HE1 PHE 6 HE1 PHE 6 5.686 -7.891 0.481 40 HE2 PHE 6 HE2 PHE 6 7.659 -6.627 4.042 41 HZ PHE 6 HZ PHE 6 5.944 -8.001 2.928 42 H LYS 7 H LYS 7 9.171 -2.146 1.395 43 HA LYS 7 HA LYS 7 6.862 -2.275 3.007 44 HB2 LYS 7 HB3 LYS 7 9.176 -1.900 3.831 45 HB3 LYS 7 HB2 LYS 7 9.144 -0.298 3.109 46 HG2 LYS 7 HG3 LYS 7 8.716 -0.114 5.456 47 HG3 LYS 7 HG2 LYS 7 7.256 0.274 4.558 48 HD2 LYS 7 HD3 LYS 7 6.878 -1.154 6.579 49 HD3 LYS 7 HD2 LYS 7 6.273 -1.836 5.067 50 HE2 LYS 7 HE3 LYS 7 7.389 -3.565 6.311 51 HE3 LYS 7 HE2 LYS 7 8.340 -3.158 4.885 52 HZ1 LYS 7 HZ1 LYS 7 8.900 -2.306 7.676 53 HZ2 LYS 7 HZ2 LYS 7 9.755 -1.762 6.320 54 HZ3 LYS 7 HZ3 LYS 7 9.795 -3.400 6.743 55 H LYS 8 H LYS 8 8.019 0.055 0.639 56 HA LYS 8 HA LYS 8 5.763 1.811 1.163 57 HB2 LYS 8 HB3 LYS 8 8.143 2.039 -0.676 58 HB3 LYS 8 HB2 LYS 8 6.825 3.200 -0.672 59 HG2 LYS 8 HG3 LYS 8 8.398 4.194 0.677 60 HG3 LYS 8 HG2 LYS 8 7.325 3.433 1.842 61 HD2 LYS 8 HD3 LYS 8 9.502 2.963 2.591 62 HD3 LYS 8 HD2 LYS 8 8.956 1.478 1.810 63 HE2 LYS 8 HE3 LYS 8 11.254 2.016 1.190 64 HE3 LYS 8 HE2 LYS 8 10.181 2.074 -0.207 65 HZ1 LYS 8 HZ1 LYS 8 10.948 4.493 1.330 66 HZ2 LYS 8 HZ2 LYS 8 10.212 4.421 -0.197 67 HZ3 LYS 8 HZ3 LYS 8 11.824 3.941 -0.009 68 H ALA 9 H ALA 9 5.947 -0.991 -0.369 69 HA ALA 9 HA ALA 9 4.993 -0.350 -2.985 70 HB1 ALA 9 HB1 ALA 9 4.851 -2.968 -1.492 71 HB2 ALA 9 HB2 ALA 9 6.166 -2.445 -2.545 72 HB3 ALA 9 HB3 ALA 9 4.563 -2.741 -3.218 73 H ALA 10 H ALA 10 3.499 -0.987 0.104 74 HA ALA 10 HA ALA 10 0.847 -1.162 -1.093 75 HB1 ALA 10 HB1 ALA 10 1.691 -1.410 1.791 76 HB2 ALA 10 HB2 ALA 10 1.442 -2.748 0.670 77 HB3 ALA 10 HB3 ALA 10 0.081 -1.731 1.149 78 H HIS 11 H HIS 11 2.568 1.340 -0.898 79 HA HIS 11 HA HIS 11 1.234 3.100 0.934 80 HB2 HIS 11 HB3 HIS 11 3.612 3.235 -0.268 81 HB3 HIS 11 HB2 HIS 11 2.678 4.201 -1.411 82 HD1 HIS 11 HD1 HIS 11 4.858 5.510 0.288 83 HD2 HIS 11 HD2 HIS 11 0.847 5.341 1.370 84 HE1 HIS 11 HE1 HIS 11 4.526 7.316 1.999 85 HE2 HIS 11 HE2 HIS 11 2.061 7.324 2.500 86 H VAL 12 H VAL 12 1.030 2.418 -2.518 87 HA VAL 12 HA VAL 12 -0.732 4.570 -3.122 88 HB VAL 12 HB VAL 12 -0.189 2.072 -4.737 89 HG11 VAL 12 HG11 VAL 12 -0.929 3.392 -6.650 90 HG12 VAL 12 HG12 VAL 12 -1.289 4.750 -5.585 91 HG13 VAL 12 HG13 VAL 12 -2.207 3.251 -5.445 92 HG21 VAL 12 HG21 VAL 12 1.157 4.771 -4.841 93 HG22 VAL 12 HG22 VAL 12 1.453 3.426 -5.943 94 HG23 VAL 12 HG23 VAL 12 1.870 3.275 -4.235 95 H GLY 13 H GLY 13 -1.175 1.114 -2.510 96 HA2 GLY 13 HA3 GLY 13 -3.868 0.867 -3.150 97 HA3 GLY 13 HA2 GLY 13 -3.033 -0.097 -1.943 98 H LYS 14 H LYS 14 -2.446 1.763 -0.002 99 HA LYS 14 HA LYS 14 -4.996 2.060 1.218 100 HB2 LYS 14 HB3 LYS 14 -3.790 2.845 3.152 101 HB3 LYS 14 HB2 LYS 14 -2.980 1.450 2.460 102 HG2 LYS 14 HG3 LYS 14 -1.225 2.849 3.013 103 HG3 LYS 14 HG2 LYS 14 -1.459 3.173 1.295 104 HD2 LYS 14 HD3 LYS 14 -1.120 5.238 2.597 105 HD3 LYS 14 HD2 LYS 14 -2.702 5.193 1.819 106 HE2 LYS 14 HE3 LYS 14 -2.886 6.035 4.095 107 HE3 LYS 14 HE2 LYS 14 -3.722 4.491 3.929 108 HZ1 LYS 14 HZ1 LYS 14 -2.434 4.609 5.973 109 HZ2 LYS 14 HZ2 LYS 14 -1.011 4.863 5.084 110 HZ3 LYS 14 HZ3 LYS 14 -1.841 3.391 4.953 111 H HIS 15 H HIS 15 -3.021 4.106 -0.714 112 HA HIS 15 HA HIS 15 -3.985 6.620 0.189 113 HB2 HIS 15 HB3 HIS 15 -1.942 6.285 -1.247 114 HB3 HIS 15 HB2 HIS 15 -3.029 5.928 -2.589 115 HD1 HIS 15 HD1 HIS 15 -2.395 7.943 -4.004 116 HD2 HIS 15 HD2 HIS 15 -3.688 8.952 -0.181 117 HE1 HIS 15 HE1 HIS 15 -2.714 10.439 -4.032 118 HE2 HIS 15 HE2 HIS 15 -3.645 11.005 -1.758 119 H VAL 16 H VAL 16 -5.168 4.194 -2.005 120 HA VAL 16 HA VAL 16 -7.243 5.689 -3.199 121 HB VAL 16 HB VAL 16 -7.239 2.731 -2.590 122 HG11 VAL 16 HG11 VAL 16 -9.442 3.583 -3.189 123 HG12 VAL 16 HG12 VAL 16 -8.793 2.577 -4.483 124 HG13 VAL 16 HG13 VAL 16 -8.773 4.334 -4.638 125 HG21 VAL 16 HG21 VAL 16 -6.356 2.426 -4.850 126 HG22 VAL 16 HG22 VAL 16 -5.244 3.366 -3.850 127 HG23 VAL 16 HG23 VAL 16 -6.254 4.177 -5.048 128 H GLY 17 H GLY 17 -7.243 3.520 -0.396 129 HA2 GLY 17 HA3 GLY 17 -8.568 3.513 1.484 130 HA3 GLY 17 HA2 GLY 17 -9.097 5.129 1.041 131 H LYS 18 H LYS 18 -10.175 4.511 -1.489 132 HA LYS 18 HA LYS 18 -12.804 3.817 -0.693 133 HB2 LYS 18 HB3 LYS 18 -11.708 3.849 -3.510 134 HB3 LYS 18 HB2 LYS 18 -13.386 4.046 -3.026 135 HG2 LYS 18 HG3 LYS 18 -11.128 5.966 -2.502 136 HG3 LYS 18 HG2 LYS 18 -12.446 6.173 -3.654 137 HD2 LYS 18 HD3 LYS 18 -14.051 6.172 -1.795 138 HD3 LYS 18 HD2 LYS 18 -12.715 6.000 -0.655 139 HE2 LYS 18 HE3 LYS 18 -13.386 8.313 -0.755 140 HE3 LYS 18 HE2 LYS 18 -11.786 8.139 -1.479 141 HZ1 LYS 18 HZ1 LYS 18 -14.368 8.407 -2.922 142 HZ2 LYS 18 HZ2 LYS 18 -12.879 8.110 -3.676 143 HZ3 LYS 18 HZ3 LYS 18 -13.129 9.564 -2.836 144 H ALA 19 H ALA 19 -10.225 1.999 -2.246 145 HA ALA 19 HA ALA 19 -11.976 -0.296 -2.643 146 HB1 ALA 19 HB1 ALA 19 -9.074 0.087 -3.377 147 HB2 ALA 19 HB2 ALA 19 -10.460 0.322 -4.447 148 HB3 ALA 19 HB3 ALA 19 -10.086 -1.288 -3.829 149 H ALA 20 H ALA 20 -11.242 0.575 0.070 150 HA ALA 20 HA ALA 20 -9.910 -1.908 0.951 151 HB1 ALA 20 HB1 ALA 20 -8.627 0.159 1.432 152 HB2 ALA 20 HB2 ALA 20 -9.072 -0.756 2.872 153 HB3 ALA 20 HB3 ALA 20 -9.966 0.703 2.444 154 H LEU 21 H LEU 21 -12.681 0.134 1.199 155 HA LEU 21 HA LEU 21 -13.678 -0.721 3.683 156 HB2 LEU 21 HB3 LEU 21 -15.863 0.117 2.879 157 HB3 LEU 21 HB2 LEU 21 -14.556 1.266 2.688 158 HG LEU 21 HG LEU 21 -14.465 0.364 0.239 159 HD11 LEU 21 HD11 LEU 21 -16.003 -1.497 0.534 160 HD12 LEU 21 HD12 LEU 21 -16.645 -0.334 -0.627 161 HD13 LEU 21 HD13 LEU 21 -17.283 -0.383 1.017 162 HD21 LEU 21 HD21 LEU 21 -16.130 2.046 -0.429 163 HD22 LEU 21 HD22 LEU 21 -15.050 2.635 0.832 164 HD23 LEU 21 HD23 LEU 21 -16.690 2.136 1.242 165 H THR 22 H THR 22 -13.275 -2.388 0.840 166 HA THR 22 HA THR 22 -15.484 -4.120 0.770 167 HB THR 22 HB THR 22 -12.684 -4.885 -0.047 168 HG1 THR 22 HG1 THR 22 -14.534 -3.287 -1.540 169 HG21 THR 22 HG21 THR 22 -14.438 -6.591 -0.274 170 HG22 THR 22 HG22 THR 22 -13.861 -6.053 -1.852 171 HG23 THR 22 HG23 THR 22 -15.404 -5.468 -1.230 172 H HIS 23 H HIS 23 -12.494 -4.149 2.627 173 HA HIS 23 HA HIS 23 -13.644 -6.315 4.252 174 HB2 HIS 23 HB3 HIS 23 -11.418 -7.276 4.632 175 HB3 HIS 23 HB2 HIS 23 -11.831 -7.306 2.924 176 HD1 HIS 23 HD1 HIS 23 -9.286 -6.124 5.297 177 HD2 HIS 23 HD2 HIS 23 -10.349 -5.377 1.345 178 HE1 HIS 23 HE1 HIS 23 -7.330 -4.907 4.280 179 HE2 HIS 23 HE2 HIS 23 -7.908 -4.665 1.839 180 H TYR 24 H TYR 24 -14.109 -3.735 4.784 181 HA TYR 24 HA TYR 24 -12.502 -3.194 7.166 182 HB2 TYR 24 HB3 TYR 24 -11.494 -1.965 5.238 183 HB3 TYR 24 HB2 TYR 24 -13.022 -1.127 5.017 184 HD1 TYR 24 HD2 TYR 24 -10.460 -1.747 7.667 185 HD2 TYR 24 HD1 TYR 24 -13.266 0.960 5.961 186 HE1 TYR 24 HE2 TYR 24 -9.690 0.011 9.207 187 HE2 TYR 24 HE1 TYR 24 -12.500 2.725 7.486 188 HH TYR 24 HH TYR 24 -9.657 2.567 9.202 189 H LEU 25 H LEU 25 -15.170 -1.989 5.130 190 HA LEU 25 HA LEU 25 -16.623 -1.075 7.464 191 HB2 LEU 25 HB3 LEU 25 -16.368 -0.067 4.997 192 HB3 LEU 25 HB2 LEU 25 -17.791 -1.053 4.733 193 HG LEU 25 HG LEU 25 -18.363 1.241 5.226 194 HD11 LEU 25 HD11 LEU 25 -19.935 0.875 7.068 195 HD12 LEU 25 HD12 LEU 25 -19.110 -0.633 7.460 196 HD13 LEU 25 HD13 LEU 25 -19.942 -0.458 5.913 197 HD21 LEU 25 HD21 LEU 25 -17.878 2.263 7.355 198 HD22 LEU 25 HD22 LEU 25 -16.382 1.753 6.567 199 HD23 LEU 25 HD23 LEU 25 -17.049 0.802 7.891 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 19.184 -5.774 -2.386 2 H2 GLY 1 HT2 GLY 1 20.305 -5.237 -1.230 3 H3 GLY 1 HT3 GLY 1 19.174 -4.157 -1.884 4 HA2 GLY 1 HA2 GLY 1 18.547 -6.499 -0.179 5 HA3 GLY 1 HA3 GLY 1 18.540 -4.822 0.347 6 H TRP 2 H TRP 2 16.816 -7.325 -1.237 7 HA TRP 2 HA TRP 2 14.746 -5.513 -2.197 8 HB2 TRP 2 HB3 TRP 2 15.463 -7.498 -3.547 9 HB3 TRP 2 HB2 TRP 2 14.808 -8.536 -2.286 10 HD1 TRP 2 HD1 TRP 2 13.638 -5.971 -4.920 11 HE1 TRP 2 HE1 TRP 2 11.172 -6.452 -5.482 12 HE3 TRP 2 HE3 TRP 2 12.734 -9.656 -1.490 13 HZ2 TRP 2 HZ2 TRP 2 9.120 -8.183 -4.596 14 HZ3 TRP 2 HZ3 TRP 2 10.500 -10.676 -1.418 15 HH2 TRP 2 HH2 TRP 2 8.731 -9.953 -2.939 16 H GLY 3 H GLY 3 12.818 -5.204 -1.222 17 HA2 GLY 3 HA3 GLY 3 11.060 -6.048 0.252 18 HA3 GLY 3 HA2 GLY 3 12.335 -6.671 1.296 19 H SER 4 H SER 4 13.655 -3.945 0.384 20 HA SER 4 HA SER 4 12.867 -2.492 2.726 21 HB2 SER 4 HB3 SER 4 14.556 -1.440 0.461 22 HB3 SER 4 HB2 SER 4 14.606 -0.983 2.162 23 HG SER 4 HG SER 4 16.249 -2.544 1.202 24 H PHE 5 H PHE 5 11.420 -2.868 -0.208 25 HA PHE 5 HA PHE 5 10.688 -0.045 -0.547 26 HB2 PHE 5 HB3 PHE 5 10.253 -2.398 -2.403 27 HB3 PHE 5 HB2 PHE 5 9.897 -0.714 -2.772 28 HD1 PHE 5 HD1 PHE 5 11.760 0.913 -3.007 29 HD2 PHE 5 HD2 PHE 5 12.443 -3.272 -2.604 30 HE1 PHE 5 HE1 PHE 5 14.045 1.202 -3.871 31 HE2 PHE 5 HE2 PHE 5 14.728 -2.985 -3.467 32 HZ PHE 5 HZ PHE 5 15.531 -0.746 -4.102 33 H PHE 6 H PHE 6 9.595 -1.547 1.611 34 HA PHE 6 HA PHE 6 6.983 -2.490 0.950 35 HB2 PHE 6 HB3 PHE 6 8.209 -3.306 2.917 36 HB3 PHE 6 HB2 PHE 6 8.150 -1.699 3.627 37 HD1 PHE 6 HD2 PHE 6 6.016 -4.510 2.495 38 HD2 PHE 6 HD1 PHE 6 6.338 -1.050 4.948 39 HE1 PHE 6 HE2 PHE 6 3.877 -5.073 3.565 40 HE2 PHE 6 HE1 PHE 6 4.195 -1.609 6.024 41 HZ PHE 6 HZ PHE 6 2.960 -3.623 5.332 42 H LYS 7 H LYS 7 8.309 0.592 1.975 43 HA LYS 7 HA LYS 7 5.905 1.785 2.810 44 HB2 LYS 7 HB3 LYS 7 8.527 2.919 1.887 45 HB3 LYS 7 HB2 LYS 7 7.159 3.974 2.213 46 HG2 LYS 7 HG3 LYS 7 8.511 3.922 4.160 47 HG3 LYS 7 HG2 LYS 7 7.050 2.999 4.507 48 HD2 LYS 7 HD3 LYS 7 8.926 1.801 5.393 49 HD3 LYS 7 HD2 LYS 7 8.310 0.928 3.984 50 HE2 LYS 7 HE3 LYS 7 10.104 1.655 2.630 51 HE3 LYS 7 HE2 LYS 7 10.589 2.887 3.792 52 HZ1 LYS 7 HZ1 LYS 7 10.761 -0.044 4.258 53 HZ2 LYS 7 HZ2 LYS 7 11.303 1.178 5.302 54 HZ3 LYS 7 HZ3 LYS 7 12.062 0.947 3.803 55 H LYS 8 H LYS 8 7.626 1.869 -0.289 56 HA LYS 8 HA LYS 8 5.468 3.321 -1.558 57 HB2 LYS 8 HB3 LYS 8 8.089 2.237 -2.577 58 HB3 LYS 8 HB2 LYS 8 6.910 3.007 -3.616 59 HG2 LYS 8 HG3 LYS 8 7.980 4.384 -1.180 60 HG3 LYS 8 HG2 LYS 8 8.823 4.432 -2.731 61 HD2 LYS 8 HD3 LYS 8 5.994 5.339 -2.205 62 HD3 LYS 8 HD2 LYS 8 7.392 6.379 -2.517 63 HE2 LYS 8 HE3 LYS 8 6.461 4.260 -4.431 64 HE3 LYS 8 HE2 LYS 8 5.865 5.926 -4.498 65 HZ1 LYS 8 HZ1 LYS 8 7.784 5.349 -6.002 66 HZ2 LYS 8 HZ2 LYS 8 8.753 5.241 -4.610 67 HZ3 LYS 8 HZ3 LYS 8 8.014 6.708 -5.017 68 H ALA 9 H ALA 9 5.166 0.498 -0.496 69 HA ALA 9 HA ALA 9 4.025 -0.601 -2.981 70 HB1 ALA 9 HB1 ALA 9 4.266 -2.841 -2.012 71 HB2 ALA 9 HB2 ALA 9 5.035 -2.139 -0.589 72 HB3 ALA 9 HB3 ALA 9 5.825 -2.030 -2.162 73 H ALA 10 H ALA 10 3.661 -0.761 0.558 74 HA ALA 10 HA ALA 10 0.907 -1.522 0.355 75 HB1 ALA 10 HB1 ALA 10 2.526 -0.675 2.751 76 HB2 ALA 10 HB2 ALA 10 2.310 -2.325 2.169 77 HB3 ALA 10 HB3 ALA 10 0.930 -1.426 2.797 78 H HIS 11 H HIS 11 2.578 1.425 1.467 79 HA HIS 11 HA HIS 11 0.249 2.756 2.317 80 HB2 HIS 11 HB3 HIS 11 2.591 3.308 3.023 81 HB3 HIS 11 HB2 HIS 11 2.849 4.033 1.441 82 HD1 HIS 11 HD1 HIS 11 1.431 4.696 4.779 83 HD2 HIS 11 HD2 HIS 11 1.355 6.451 1.005 84 HE1 HIS 11 HE1 HIS 11 0.567 7.034 5.130 85 HE2 HIS 11 HE2 HIS 11 0.780 8.142 2.880 86 H VAL 12 H VAL 12 1.826 2.578 -0.813 87 HA VAL 12 HA VAL 12 0.284 4.746 -1.925 88 HB VAL 12 HB VAL 12 1.268 4.088 -4.092 89 HG11 VAL 12 HG11 VAL 12 2.428 5.670 -2.653 90 HG12 VAL 12 HG12 VAL 12 3.580 4.671 -3.542 91 HG13 VAL 12 HG13 VAL 12 3.257 4.342 -1.839 92 HG21 VAL 12 HG21 VAL 12 2.656 1.934 -2.501 93 HG22 VAL 12 HG22 VAL 12 2.984 2.351 -4.183 94 HG23 VAL 12 HG23 VAL 12 1.418 1.681 -3.727 95 H GLY 13 H GLY 13 -0.012 1.301 -1.668 96 HA2 GLY 13 HA3 GLY 13 -1.976 0.988 -3.725 97 HA3 GLY 13 HA2 GLY 13 -1.585 -0.182 -2.472 98 H LYS 14 H LYS 14 -2.117 1.196 -0.184 99 HA LYS 14 HA LYS 14 -4.971 1.121 -0.106 100 HB2 LYS 14 HB3 LYS 14 -4.692 1.486 2.281 101 HB3 LYS 14 HB2 LYS 14 -3.580 0.260 1.694 102 HG2 LYS 14 HG3 LYS 14 -2.116 1.397 2.951 103 HG3 LYS 14 HG2 LYS 14 -1.989 2.395 1.502 104 HD2 LYS 14 HD3 LYS 14 -2.240 3.840 3.400 105 HD3 LYS 14 HD2 LYS 14 -3.739 3.886 2.461 106 HE2 LYS 14 HE3 LYS 14 -4.836 2.442 4.012 107 HE3 LYS 14 HE2 LYS 14 -3.327 2.108 4.858 108 HZ1 LYS 14 HZ1 LYS 14 -4.772 3.711 6.013 109 HZ2 LYS 14 HZ2 LYS 14 -4.602 4.783 4.709 110 HZ3 LYS 14 HZ3 LYS 14 -3.245 4.349 5.631 111 H HIS 15 H HIS 15 -3.137 3.414 -1.329 112 HA HIS 15 HA HIS 15 -3.903 5.848 -0.173 113 HB2 HIS 15 HB3 HIS 15 -2.134 5.611 -1.894 114 HB3 HIS 15 HB2 HIS 15 -3.368 5.224 -3.087 115 HD1 HIS 15 HD1 HIS 15 -1.923 8.102 -1.157 116 HD2 HIS 15 HD2 HIS 15 -4.732 7.405 -4.151 117 HE1 HIS 15 HE1 HIS 15 -2.474 10.361 -2.117 118 HE2 HIS 15 HE2 HIS 15 -3.978 9.879 -4.081 119 H VAL 16 H VAL 16 -5.575 3.637 -2.258 120 HA VAL 16 HA VAL 16 -7.603 5.398 -3.166 121 HB VAL 16 HB VAL 16 -7.735 2.395 -2.906 122 HG11 VAL 16 HG11 VAL 16 -9.296 4.316 -4.625 123 HG12 VAL 16 HG12 VAL 16 -9.912 3.398 -3.252 124 HG13 VAL 16 HG13 VAL 16 -9.393 2.558 -4.714 125 HG21 VAL 16 HG21 VAL 16 -5.783 3.050 -4.199 126 HG22 VAL 16 HG22 VAL 16 -6.785 4.083 -5.219 127 HG23 VAL 16 HG23 VAL 16 -7.007 2.333 -5.246 128 H GLY 17 H GLY 17 -7.799 2.728 -0.833 129 HA2 GLY 17 HA3 GLY 17 -8.992 2.505 1.108 130 HA3 GLY 17 HA2 GLY 17 -9.093 4.257 1.163 131 H LYS 18 H LYS 18 -10.361 3.696 -1.719 132 HA LYS 18 HA LYS 18 -12.468 3.729 -2.580 133 HB2 LYS 18 HB3 LYS 18 -12.850 1.822 -0.303 134 HB3 LYS 18 HB2 LYS 18 -14.253 2.402 -1.183 135 HG2 LYS 18 HG3 LYS 18 -13.674 0.343 -2.145 136 HG3 LYS 18 HG2 LYS 18 -13.135 1.578 -3.280 137 HD2 LYS 18 HD3 LYS 18 -10.864 1.306 -2.607 138 HD3 LYS 18 HD2 LYS 18 -11.328 0.275 -1.250 139 HE2 LYS 18 HE3 LYS 18 -12.177 -1.400 -2.820 140 HE3 LYS 18 HE2 LYS 18 -11.697 -0.375 -4.172 141 HZ1 LYS 18 HZ1 LYS 18 -10.112 -2.197 -3.589 142 HZ2 LYS 18 HZ2 LYS 18 -9.779 -1.378 -2.144 143 HZ3 LYS 18 HZ3 LYS 18 -9.432 -0.648 -3.636 144 H ALA 19 H ALA 19 -11.545 5.651 -0.461 145 HA ALA 19 HA ALA 19 -14.203 6.719 0.233 146 HB1 ALA 19 HB1 ALA 19 -13.273 7.612 2.302 147 HB2 ALA 19 HB2 ALA 19 -11.702 6.916 1.907 148 HB3 ALA 19 HB3 ALA 19 -13.076 5.862 2.232 149 H ALA 20 H ALA 20 -10.989 7.338 -0.967 150 HA ALA 20 HA ALA 20 -11.378 10.217 -0.969 151 HB1 ALA 20 HB1 ALA 20 -9.155 9.218 -0.539 152 HB2 ALA 20 HB2 ALA 20 -9.162 10.338 -1.902 153 HB3 ALA 20 HB3 ALA 20 -9.155 8.597 -2.191 154 H LEU 21 H LEU 21 -11.360 7.524 -3.192 155 HA LEU 21 HA LEU 21 -11.359 8.945 -5.604 156 HB2 LEU 21 HB3 LEU 21 -11.956 6.892 -6.644 157 HB3 LEU 21 HB2 LEU 21 -10.906 6.501 -5.295 158 HG LEU 21 HG LEU 21 -13.188 6.100 -4.032 159 HD11 LEU 21 HD11 LEU 21 -13.957 5.650 -6.913 160 HD12 LEU 21 HD12 LEU 21 -14.645 6.854 -5.822 161 HD13 LEU 21 HD13 LEU 21 -14.892 5.135 -5.508 162 HD21 LEU 21 HD21 LEU 21 -12.032 4.175 -6.044 163 HD22 LEU 21 HD22 LEU 21 -13.070 3.747 -4.683 164 HD23 LEU 21 HD23 LEU 21 -11.468 4.423 -4.391 165 H THR 22 H THR 22 -13.736 8.488 -3.239 166 HA THR 22 HA THR 22 -16.102 8.599 -4.753 167 HB THR 22 HB THR 22 -15.944 9.763 -1.998 168 HG1 THR 22 HG1 THR 22 -16.158 7.218 -1.611 169 HG21 THR 22 HG21 THR 22 -18.121 9.574 -3.069 170 HG22 THR 22 HG22 THR 22 -18.013 8.439 -1.725 171 HG23 THR 22 HG23 THR 22 -17.842 7.863 -3.382 172 H HIS 23 H HIS 23 -13.842 11.029 -3.742 173 HA HIS 23 HA HIS 23 -15.372 13.007 -5.280 174 HB2 HIS 23 HB3 HIS 23 -14.627 14.776 -3.651 175 HB3 HIS 23 HB2 HIS 23 -15.824 13.653 -3.018 176 HD1 HIS 23 HD1 HIS 23 -15.143 12.184 -1.048 177 HD2 HIS 23 HD2 HIS 23 -12.061 14.581 -2.482 178 HE1 HIS 23 HE1 HIS 23 -13.286 11.992 0.643 179 HE2 HIS 23 HE2 HIS 23 -11.542 13.652 -0.123 180 H TYR 24 H TYR 24 -13.497 11.527 -6.395 181 HA TYR 24 HA TYR 24 -11.192 13.300 -6.689 182 HB2 TYR 24 HB3 TYR 24 -10.485 11.696 -5.030 183 HB3 TYR 24 HB2 TYR 24 -11.069 10.360 -6.007 184 HD1 TYR 24 HD2 TYR 24 -8.734 13.257 -6.466 185 HD2 TYR 24 HD1 TYR 24 -9.451 9.097 -6.964 186 HE1 TYR 24 HE2 TYR 24 -6.492 12.993 -7.441 187 HE2 TYR 24 HE1 TYR 24 -7.214 8.816 -7.929 188 HH TYR 24 HH TYR 24 -5.541 10.259 -9.134 189 H LEU 25 H LEU 25 -13.084 10.572 -7.879 190 HA LEU 25 HA LEU 25 -12.218 11.288 -10.581 191 HB2 LEU 25 HB3 LEU 25 -12.401 8.862 -11.197 192 HB3 LEU 25 HB2 LEU 25 -11.047 9.291 -10.175 193 HG LEU 25 HG LEU 25 -12.481 8.492 -8.226 194 HD11 LEU 25 HD11 LEU 25 -13.938 7.090 -10.456 195 HD12 LEU 25 HD12 LEU 25 -14.604 8.390 -9.468 196 HD13 LEU 25 HD13 LEU 25 -14.178 6.845 -8.726 197 HD21 LEU 25 HD21 LEU 25 -11.498 6.523 -10.275 198 HD22 LEU 25 HD22 LEU 25 -11.754 6.198 -8.559 199 HD23 LEU 25 HD23 LEU 25 -10.507 7.340 -9.063 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 21.718 -4.831 3.158 2 H2 GLY 1 HT2 GLY 1 22.000 -5.994 1.958 3 H3 GLY 1 HT3 GLY 1 22.519 -6.275 3.551 4 HA2 GLY 1 HA2 GLY 1 20.556 -7.559 3.157 5 HA3 GLY 1 HA3 GLY 1 20.195 -6.267 4.296 6 H TRP 2 H TRP 2 18.049 -7.245 3.197 7 HA TRP 2 HA TRP 2 17.450 -5.939 0.668 8 HB2 TRP 2 HB3 TRP 2 15.871 -7.827 2.420 9 HB3 TRP 2 HB2 TRP 2 15.239 -7.125 0.932 10 HD1 TRP 2 HD1 TRP 2 16.410 -7.917 -1.382 11 HE1 TRP 2 HE1 TRP 2 17.639 -10.097 -1.983 12 HE3 TRP 2 HE3 TRP 2 17.370 -9.638 3.339 13 HZ2 TRP 2 HZ2 TRP 2 18.839 -12.264 -0.635 14 HZ3 TRP 2 HZ3 TRP 2 18.554 -11.778 3.595 15 HH2 TRP 2 HH2 TRP 2 19.273 -13.064 1.647 16 H GLY 3 H GLY 3 17.864 -3.853 1.999 17 HA2 GLY 3 HA3 GLY 3 15.621 -3.006 3.633 18 HA3 GLY 3 HA2 GLY 3 17.040 -2.047 3.232 19 H SER 4 H SER 4 15.992 -3.319 0.414 20 HA SER 4 HA SER 4 14.742 -0.905 -0.467 21 HB2 SER 4 HB3 SER 4 14.978 -3.594 -1.841 22 HB3 SER 4 HB2 SER 4 14.501 -2.083 -2.615 23 HG SER 4 HG SER 4 17.021 -2.862 -1.610 24 H PHE 5 H PHE 5 13.649 -3.628 1.185 25 HA PHE 5 HA PHE 5 10.940 -3.497 0.125 26 HB2 PHE 5 HB3 PHE 5 12.223 -5.219 2.253 27 HB3 PHE 5 HB2 PHE 5 10.504 -5.276 1.880 28 HD1 PHE 5 HD2 PHE 5 9.746 -6.086 -0.316 29 HD2 PHE 5 HD1 PHE 5 13.837 -6.243 0.849 30 HE1 PHE 5 HE2 PHE 5 10.189 -7.710 -2.106 31 HE2 PHE 5 HE1 PHE 5 14.287 -7.867 -0.943 32 HZ PHE 5 HZ PHE 5 12.467 -8.605 -2.419 33 H PHE 6 H PHE 6 11.084 -1.137 0.850 34 HA PHE 6 HA PHE 6 10.486 -0.740 3.672 35 HB2 PHE 6 HB3 PHE 6 11.901 0.875 2.394 36 HB3 PHE 6 HB2 PHE 6 10.515 1.251 1.382 37 HD1 PHE 6 HD2 PHE 6 11.634 1.275 4.926 38 HD2 PHE 6 HD1 PHE 6 9.102 2.991 1.963 39 HE1 PHE 6 HE2 PHE 6 10.970 3.032 6.514 40 HE2 PHE 6 HE1 PHE 6 8.438 4.751 3.545 41 HZ PHE 6 HZ PHE 6 9.368 4.772 5.826 42 H LYS 7 H LYS 7 8.858 -1.967 1.229 43 HA LYS 7 HA LYS 7 6.722 -2.238 0.583 44 HB2 LYS 7 HB3 LYS 7 6.381 -1.225 3.368 45 HB3 LYS 7 HB2 LYS 7 4.959 -1.385 2.346 46 HG2 LYS 7 HG3 LYS 7 5.154 -3.380 3.628 47 HG3 LYS 7 HG2 LYS 7 5.603 -3.766 1.976 48 HD2 LYS 7 HD3 LYS 7 7.164 -4.850 3.406 49 HD3 LYS 7 HD2 LYS 7 7.996 -3.487 2.644 50 HE2 LYS 7 HE3 LYS 7 7.482 -2.142 4.656 51 HE3 LYS 7 HE2 LYS 7 6.835 -3.588 5.423 52 HZ1 LYS 7 HZ1 LYS 7 9.053 -4.624 5.077 53 HZ2 LYS 7 HZ2 LYS 7 9.064 -3.316 6.152 54 HZ3 LYS 7 HZ3 LYS 7 9.637 -3.115 4.569 55 H LYS 8 H LYS 8 7.719 -0.399 -0.834 56 HA LYS 8 HA LYS 8 6.843 2.251 -0.516 57 HB2 LYS 8 HB3 LYS 8 7.770 0.720 -2.927 58 HB3 LYS 8 HB2 LYS 8 7.272 2.401 -3.037 59 HG2 LYS 8 HG3 LYS 8 9.587 2.499 -2.850 60 HG3 LYS 8 HG2 LYS 8 9.016 2.849 -1.222 61 HD2 LYS 8 HD3 LYS 8 10.854 1.333 -1.053 62 HD3 LYS 8 HD2 LYS 8 9.383 0.446 -0.657 63 HE2 LYS 8 HE3 LYS 8 10.771 -0.917 -2.070 64 HE3 LYS 8 HE2 LYS 8 9.340 -0.429 -2.973 65 HZ1 LYS 8 HZ1 LYS 8 11.903 1.047 -3.167 66 HZ2 LYS 8 HZ2 LYS 8 10.575 1.103 -4.224 67 HZ3 LYS 8 HZ3 LYS 8 11.553 -0.282 -4.160 68 H ALA 9 H ALA 9 5.802 0.162 -3.106 69 HA ALA 9 HA ALA 9 3.466 1.587 -3.688 70 HB1 ALA 9 HB1 ALA 9 4.528 0.058 -5.274 71 HB2 ALA 9 HB2 ALA 9 2.818 -0.312 -5.059 72 HB3 ALA 9 HB3 ALA 9 4.040 -1.315 -4.279 73 H ALA 10 H ALA 10 4.044 -1.124 -1.533 74 HA ALA 10 HA ALA 10 1.392 -1.857 -1.019 75 HB1 ALA 10 HB1 ALA 10 3.300 -3.222 -0.372 76 HB2 ALA 10 HB2 ALA 10 2.257 -2.897 1.014 77 HB3 ALA 10 HB3 ALA 10 3.771 -2.012 0.822 78 H HIS 11 H HIS 11 3.417 0.633 0.495 79 HA HIS 11 HA HIS 11 1.425 1.249 2.489 80 HB2 HIS 11 HB3 HIS 11 4.053 1.590 2.538 81 HB3 HIS 11 HB2 HIS 11 3.637 3.145 1.822 82 HD1 HIS 11 HD1 HIS 11 2.498 4.888 3.337 83 HD2 HIS 11 HD2 HIS 11 3.199 1.227 5.190 84 HE1 HIS 11 HE1 HIS 11 2.062 5.267 5.786 85 HE2 HIS 11 HE2 HIS 11 2.309 2.992 6.854 86 H VAL 12 H VAL 12 2.326 2.421 -0.668 87 HA VAL 12 HA VAL 12 0.587 4.714 -0.579 88 HB VAL 12 HB VAL 12 1.767 3.356 -3.019 89 HG11 VAL 12 HG11 VAL 12 1.526 5.552 -4.078 90 HG12 VAL 12 HG12 VAL 12 0.768 6.175 -2.613 91 HG13 VAL 12 HG13 VAL 12 -0.033 4.917 -3.554 92 HG21 VAL 12 HG21 VAL 12 2.898 5.605 -1.362 93 HG22 VAL 12 HG22 VAL 12 3.579 4.988 -2.867 94 HG23 VAL 12 HG23 VAL 12 3.525 3.960 -1.435 95 H GLY 13 H GLY 13 -0.003 1.513 -0.539 96 HA2 GLY 13 HA3 GLY 13 -2.116 1.147 -2.368 97 HA3 GLY 13 HA2 GLY 13 -1.864 0.221 -0.895 98 H LYS 14 H LYS 14 -1.940 3.124 0.370 99 HA LYS 14 HA LYS 14 -4.623 3.114 1.208 100 HB2 LYS 14 HB3 LYS 14 -4.110 5.302 2.196 101 HB3 LYS 14 HB2 LYS 14 -2.848 4.126 2.514 102 HG2 LYS 14 HG3 LYS 14 -1.704 6.101 2.030 103 HG3 LYS 14 HG2 LYS 14 -1.595 5.148 0.550 104 HD2 LYS 14 HD3 LYS 14 -2.098 7.408 -0.065 105 HD3 LYS 14 HD2 LYS 14 -3.551 6.435 -0.328 106 HE2 LYS 14 HE3 LYS 14 -4.434 7.212 1.829 107 HE3 LYS 14 HE2 LYS 14 -3.006 8.221 2.045 108 HZ1 LYS 14 HZ1 LYS 14 -5.005 8.464 -0.141 109 HZ2 LYS 14 HZ2 LYS 14 -3.615 9.421 0.021 110 HZ3 LYS 14 HZ3 LYS 14 -4.844 9.511 1.184 111 H HIS 15 H HIS 15 -3.319 3.984 -1.745 112 HA HIS 15 HA HIS 15 -4.728 6.211 -2.606 113 HB2 HIS 15 HB3 HIS 15 -2.971 5.056 -3.920 114 HB3 HIS 15 HB2 HIS 15 -4.083 3.721 -4.201 115 HD1 HIS 15 HD1 HIS 15 -3.252 7.164 -5.375 116 HD2 HIS 15 HD2 HIS 15 -6.124 4.234 -6.081 117 HE1 HIS 15 HE1 HIS 15 -4.435 7.856 -7.485 118 HE2 HIS 15 HE2 HIS 15 -5.984 5.944 -8.011 119 H VAL 16 H VAL 16 -5.806 2.950 -2.081 120 HA VAL 16 HA VAL 16 -8.213 2.989 -3.502 121 HB VAL 16 HB VAL 16 -7.677 1.556 -0.897 122 HG11 VAL 16 HG11 VAL 16 -9.345 -0.044 -1.708 123 HG12 VAL 16 HG12 VAL 16 -9.609 0.956 -3.136 124 HG13 VAL 16 HG13 VAL 16 -10.034 1.572 -1.539 125 HG21 VAL 16 HG21 VAL 16 -5.928 1.046 -2.495 126 HG22 VAL 16 HG22 VAL 16 -7.133 0.683 -3.730 127 HG23 VAL 16 HG23 VAL 16 -6.995 -0.344 -2.301 128 H GLY 17 H GLY 17 -7.919 3.285 0.044 129 HA2 GLY 17 HA3 GLY 17 -9.249 4.372 1.572 130 HA3 GLY 17 HA2 GLY 17 -9.441 5.611 0.343 131 H LYS 18 H LYS 18 -10.527 2.784 -0.962 132 HA LYS 18 HA LYS 18 -12.554 1.965 -1.526 133 HB2 LYS 18 HB3 LYS 18 -13.310 2.831 1.268 134 HB3 LYS 18 HB2 LYS 18 -14.304 1.819 0.226 135 HG2 LYS 18 HG3 LYS 18 -11.619 1.161 1.410 136 HG3 LYS 18 HG2 LYS 18 -13.170 0.389 1.746 137 HD2 LYS 18 HD3 LYS 18 -11.713 0.338 -0.898 138 HD3 LYS 18 HD2 LYS 18 -11.761 -0.979 0.273 139 HE2 LYS 18 HE3 LYS 18 -14.089 -1.306 -0.061 140 HE3 LYS 18 HE2 LYS 18 -14.235 0.199 -0.972 141 HZ1 LYS 18 HZ1 LYS 18 -12.949 -0.729 -2.741 142 HZ2 LYS 18 HZ2 LYS 18 -14.205 -1.808 -2.387 143 HZ3 LYS 18 HZ3 LYS 18 -12.629 -2.138 -1.852 144 H ALA 19 H ALA 19 -12.487 3.783 -3.039 145 HA ALA 19 HA ALA 19 -13.561 5.360 -4.260 146 HB1 ALA 19 HB1 ALA 19 -15.870 4.855 -2.385 147 HB2 ALA 19 HB2 ALA 19 -15.542 3.989 -3.887 148 HB3 ALA 19 HB3 ALA 19 -15.952 5.704 -3.929 149 H ALA 20 H ALA 20 -12.591 5.827 -1.221 150 HA ALA 20 HA ALA 20 -11.985 7.639 0.011 151 HB1 ALA 20 HB1 ALA 20 -12.965 9.283 -2.323 152 HB2 ALA 20 HB2 ALA 20 -11.318 8.680 -2.115 153 HB3 ALA 20 HB3 ALA 20 -11.978 9.858 -0.978 154 H LEU 21 H LEU 21 -14.668 6.412 -0.148 155 HA LEU 21 HA LEU 21 -16.659 8.382 0.160 156 HB2 LEU 21 HB3 LEU 21 -18.086 6.564 0.828 157 HB3 LEU 21 HB2 LEU 21 -17.055 6.052 -0.496 158 HG LEU 21 HG LEU 21 -15.573 4.993 1.350 159 HD11 LEU 21 HD11 LEU 21 -16.806 4.241 3.320 160 HD12 LEU 21 HD12 LEU 21 -18.194 5.213 2.826 161 HD13 LEU 21 HD13 LEU 21 -16.681 6.000 3.276 162 HD21 LEU 21 HD21 LEU 21 -16.911 2.946 1.254 163 HD22 LEU 21 HD22 LEU 21 -16.812 3.738 -0.319 164 HD23 LEU 21 HD23 LEU 21 -18.282 3.874 0.646 165 H THR 22 H THR 22 -14.184 7.360 2.187 166 HA THR 22 HA THR 22 -15.331 7.715 4.733 167 HB THR 22 HB THR 22 -12.507 8.492 4.436 168 HG1 THR 22 HG1 THR 22 -12.912 5.768 4.003 169 HG21 THR 22 HG21 THR 22 -13.906 6.305 5.987 170 HG22 THR 22 HG22 THR 22 -13.524 7.916 6.595 171 HG23 THR 22 HG23 THR 22 -12.224 6.798 6.184 172 H HIS 23 H HIS 23 -14.068 9.915 2.327 173 HA HIS 23 HA HIS 23 -15.046 12.145 3.984 174 HB2 HIS 23 HB3 HIS 23 -13.212 13.592 3.141 175 HB3 HIS 23 HB2 HIS 23 -12.631 12.276 4.147 176 HD1 HIS 23 HD1 HIS 23 -10.804 10.862 3.189 177 HD2 HIS 23 HD2 HIS 23 -12.721 13.144 0.281 178 HE1 HIS 23 HE1 HIS 23 -9.447 10.575 1.087 179 HE2 HIS 23 HE2 HIS 23 -10.668 11.891 -0.679 180 H TYR 24 H TYR 24 -16.564 10.847 2.127 181 HA TYR 24 HA TYR 24 -16.886 12.865 0.047 182 HB2 TYR 24 HB3 TYR 24 -15.395 11.174 -0.917 183 HB3 TYR 24 HB2 TYR 24 -16.550 9.913 -0.522 184 HD1 TYR 24 HD2 TYR 24 -17.072 13.251 -2.123 185 HD2 TYR 24 HD1 TYR 24 -17.235 9.023 -2.520 186 HE1 TYR 24 HE2 TYR 24 -18.095 13.504 -4.349 187 HE2 TYR 24 HE1 TYR 24 -18.243 9.259 -4.743 188 HH TYR 24 HH TYR 24 -18.297 12.177 -6.446 189 H LEU 25 H LEU 25 -18.176 9.587 0.614 190 HA LEU 25 HA LEU 25 -20.831 10.798 0.967 191 HB2 LEU 25 HB3 LEU 25 -20.140 8.217 -0.442 192 HB3 LEU 25 HB2 LEU 25 -21.770 8.747 -0.076 193 HG LEU 25 HG LEU 25 -19.834 10.182 -1.888 194 HD11 LEU 25 HD11 LEU 25 -20.599 8.032 -2.773 195 HD12 LEU 25 HD12 LEU 25 -21.233 9.396 -3.695 196 HD13 LEU 25 HD13 LEU 25 -22.271 8.544 -2.551 197 HD21 LEU 25 HD21 LEU 25 -22.746 10.697 -1.290 198 HD22 LEU 25 HD22 LEU 25 -21.791 11.519 -2.523 199 HD23 LEU 25 HD23 LEU 25 -21.385 11.715 -0.819 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 10.950 2.517 -12.337 2 H2 GLY 1 HT2 GLY 1 12.033 2.015 -11.136 3 H3 GLY 1 HT3 GLY 1 12.547 3.092 -12.339 4 HA2 GLY 1 HA2 GLY 1 12.221 4.368 -10.401 5 HA3 GLY 1 HA3 GLY 1 10.911 4.732 -11.510 6 H TRP 2 H TRP 2 9.811 1.918 -10.787 7 HA TRP 2 HA TRP 2 8.716 2.657 -8.158 8 HB2 TRP 2 HB3 TRP 2 7.177 1.568 -10.529 9 HB3 TRP 2 HB2 TRP 2 6.511 1.802 -8.914 10 HD1 TRP 2 HD1 TRP 2 6.403 4.429 -8.057 11 HE1 TRP 2 HE1 TRP 2 5.970 6.577 -9.414 12 HE3 TRP 2 HE3 TRP 2 7.478 2.652 -12.737 13 HZ2 TRP 2 HZ2 TRP 2 6.055 7.391 -12.120 14 HZ3 TRP 2 HZ3 TRP 2 7.278 4.182 -14.653 15 HH2 TRP 2 HH2 TRP 2 6.581 6.502 -14.347 16 H GLY 3 H GLY 3 8.156 0.952 -6.808 17 HA2 GLY 3 HA3 GLY 3 7.996 -1.306 -6.186 18 HA3 GLY 3 HA2 GLY 3 8.795 -1.773 -7.682 19 H SER 4 H SER 4 10.774 0.480 -7.016 20 HA SER 4 HA SER 4 12.677 -1.054 -5.553 21 HB2 SER 4 HB3 SER 4 12.714 1.910 -6.195 22 HB3 SER 4 HB2 SER 4 14.102 0.912 -5.764 23 HG SER 4 HG SER 4 13.422 -0.383 -7.701 24 H PHE 5 H PHE 5 10.003 0.732 -4.678 25 HA PHE 5 HA PHE 5 11.036 1.374 -2.005 26 HB2 PHE 5 HB3 PHE 5 8.385 2.122 -3.272 27 HB3 PHE 5 HB2 PHE 5 8.999 2.698 -1.727 28 HD1 PHE 5 HD1 PHE 5 11.054 4.136 -1.704 29 HD2 PHE 5 HD2 PHE 5 8.951 3.193 -5.276 30 HE1 PHE 5 HE1 PHE 5 12.128 6.043 -2.831 31 HE2 PHE 5 HE2 PHE 5 10.018 5.097 -6.416 32 HZ PHE 5 HZ PHE 5 11.607 6.522 -5.191 33 H PHE 6 H PHE 6 11.138 -0.798 -1.358 34 HA PHE 6 HA PHE 6 9.211 -2.745 -1.865 35 HB2 PHE 6 HB3 PHE 6 11.167 -2.674 0.439 36 HB3 PHE 6 HB2 PHE 6 10.409 -4.105 -0.254 37 HD1 PHE 6 HD1 PHE 6 10.939 -4.699 -2.653 38 HD2 PHE 6 HD2 PHE 6 13.164 -1.826 -0.428 39 HE1 PHE 6 HE1 PHE 6 12.803 -4.914 -4.242 40 HE2 PHE 6 HE2 PHE 6 15.030 -2.039 -2.018 41 HZ PHE 6 HZ PHE 6 14.850 -3.581 -3.926 42 H LYS 7 H LYS 7 9.578 -0.590 0.917 43 HA LYS 7 HA LYS 7 7.363 -1.888 2.277 44 HB2 LYS 7 HB3 LYS 7 9.262 -1.250 3.631 45 HB3 LYS 7 HB2 LYS 7 9.170 0.408 3.055 46 HG2 LYS 7 HG3 LYS 7 8.303 0.176 5.325 47 HG3 LYS 7 HG2 LYS 7 7.069 0.712 4.198 48 HD2 LYS 7 HD3 LYS 7 6.131 -0.936 5.681 49 HD3 LYS 7 HD2 LYS 7 6.230 -1.601 4.050 50 HE2 LYS 7 HE3 LYS 7 8.389 -2.644 4.709 51 HE3 LYS 7 HE2 LYS 7 8.067 -2.140 6.365 52 HZ1 LYS 7 HZ1 LYS 7 5.931 -3.395 6.193 53 HZ2 LYS 7 HZ2 LYS 7 7.321 -4.363 6.155 54 HZ3 LYS 7 HZ3 LYS 7 6.478 -4.032 4.719 55 H LYS 8 H LYS 8 7.811 0.632 0.064 56 HA LYS 8 HA LYS 8 5.410 2.050 0.977 57 HB2 LYS 8 HB3 LYS 8 7.403 2.897 -1.130 58 HB3 LYS 8 HB2 LYS 8 6.107 3.868 -0.479 59 HG2 LYS 8 HG3 LYS 8 8.305 2.784 1.247 60 HG3 LYS 8 HG2 LYS 8 8.437 4.329 0.400 61 HD2 LYS 8 HD3 LYS 8 6.289 3.563 2.374 62 HD3 LYS 8 HD2 LYS 8 7.645 4.652 2.688 63 HE2 LYS 8 HE3 LYS 8 5.703 5.106 0.455 64 HE3 LYS 8 HE2 LYS 8 5.405 5.719 2.090 65 HZ1 LYS 8 HZ1 LYS 8 7.469 6.972 1.957 66 HZ2 LYS 8 HZ2 LYS 8 6.448 7.381 0.665 67 HZ3 LYS 8 HZ3 LYS 8 7.773 6.364 0.401 68 H ALA 9 H ALA 9 6.113 -0.444 -0.953 69 HA ALA 9 HA ALA 9 4.776 0.195 -3.371 70 HB1 ALA 9 HB1 ALA 9 6.431 -1.603 -3.206 71 HB2 ALA 9 HB2 ALA 9 4.894 -2.185 -3.848 72 HB3 ALA 9 HB3 ALA 9 5.331 -2.513 -2.171 73 H ALA 10 H ALA 10 3.783 -1.633 -0.480 74 HA ALA 10 HA ALA 10 1.073 -1.874 -1.450 75 HB1 ALA 10 HB1 ALA 10 2.211 -2.505 1.273 76 HB2 ALA 10 HB2 ALA 10 2.075 -3.638 -0.074 77 HB3 ALA 10 HB3 ALA 10 0.619 -2.976 0.674 78 H HIS 11 H HIS 11 2.897 0.382 0.369 79 HA HIS 11 HA HIS 11 0.680 1.448 1.850 80 HB2 HIS 11 HB3 HIS 11 3.570 2.125 1.604 81 HB3 HIS 11 HB2 HIS 11 2.468 3.358 2.217 82 HD1 HIS 11 HD1 HIS 11 4.283 0.326 3.210 83 HD2 HIS 11 HD2 HIS 11 1.056 2.554 4.604 84 HE1 HIS 11 HE1 HIS 11 3.870 -0.466 5.562 85 HE2 HIS 11 HE2 HIS 11 1.885 0.862 6.374 86 H VAL 12 H VAL 12 2.017 1.988 -1.283 87 HA VAL 12 HA VAL 12 0.939 4.603 -1.666 88 HB VAL 12 HB VAL 12 2.705 3.426 -3.104 89 HG11 VAL 12 HG11 VAL 12 1.542 1.365 -3.557 90 HG12 VAL 12 HG12 VAL 12 1.864 2.212 -5.068 91 HG13 VAL 12 HG13 VAL 12 0.245 2.239 -4.369 92 HG21 VAL 12 HG21 VAL 12 1.992 4.618 -5.154 93 HG22 VAL 12 HG22 VAL 12 1.859 5.599 -3.697 94 HG23 VAL 12 HG23 VAL 12 0.415 4.884 -4.413 95 H GLY 13 H GLY 13 -0.324 1.457 -1.539 96 HA2 GLY 13 HA3 GLY 13 -2.645 1.801 -3.146 97 HA3 GLY 13 HA2 GLY 13 -2.377 0.526 -1.970 98 H LYS 14 H LYS 14 -1.872 3.198 -0.187 99 HA LYS 14 HA LYS 14 -4.357 3.106 1.126 100 HB2 LYS 14 HB3 LYS 14 -3.577 4.992 2.434 101 HB3 LYS 14 HB2 LYS 14 -2.275 3.835 2.209 102 HG2 LYS 14 HG3 LYS 14 -1.277 5.940 1.970 103 HG3 LYS 14 HG2 LYS 14 -1.456 5.329 0.327 104 HD2 LYS 14 HD3 LYS 14 -2.076 7.670 0.409 105 HD3 LYS 14 HD2 LYS 14 -3.502 6.678 0.072 106 HE2 LYS 14 HE3 LYS 14 -4.109 6.812 2.464 107 HE3 LYS 14 HE2 LYS 14 -2.731 7.880 2.735 108 HZ1 LYS 14 HZ1 LYS 14 -3.710 9.452 1.155 109 HZ2 LYS 14 HZ2 LYS 14 -4.744 9.155 2.464 110 HZ3 LYS 14 HZ3 LYS 14 -5.056 8.433 0.965 111 H HIS 15 H HIS 15 -3.344 4.690 -1.702 112 HA HIS 15 HA HIS 15 -4.912 6.987 -1.771 113 HB2 HIS 15 HB3 HIS 15 -3.944 5.147 -3.942 114 HB3 HIS 15 HB2 HIS 15 -4.934 6.552 -4.312 115 HD1 HIS 15 HD1 HIS 15 -1.706 5.832 -4.819 116 HD2 HIS 15 HD2 HIS 15 -3.444 8.762 -2.431 117 HE1 HIS 15 HE1 HIS 15 0.056 7.602 -4.520 118 HE2 HIS 15 HE2 HIS 15 -1.108 9.471 -3.297 119 H VAL 16 H VAL 16 -5.718 3.651 -2.482 120 HA VAL 16 HA VAL 16 -8.250 4.004 -3.588 121 HB VAL 16 HB VAL 16 -7.393 1.743 -1.782 122 HG11 VAL 16 HG11 VAL 16 -9.490 1.898 -3.942 123 HG12 VAL 16 HG12 VAL 16 -9.778 1.759 -2.206 124 HG13 VAL 16 HG13 VAL 16 -9.018 0.431 -3.084 125 HG21 VAL 16 HG21 VAL 16 -5.768 2.072 -3.569 126 HG22 VAL 16 HG22 VAL 16 -7.062 2.028 -4.765 127 HG23 VAL 16 HG23 VAL 16 -6.687 0.588 -3.819 128 H GLY 17 H GLY 17 -7.544 3.130 -0.197 129 HA2 GLY 17 HA3 GLY 17 -8.818 3.390 1.700 130 HA3 GLY 17 HA2 GLY 17 -9.178 4.979 1.044 131 H LYS 18 H LYS 18 -10.188 2.534 -1.021 132 HA LYS 18 HA LYS 18 -12.185 1.664 -1.630 133 HB2 LYS 18 HB3 LYS 18 -13.099 2.174 1.208 134 HB3 LYS 18 HB2 LYS 18 -13.872 1.121 0.036 135 HG2 LYS 18 HG3 LYS 18 -11.185 0.721 1.326 136 HG3 LYS 18 HG2 LYS 18 -12.659 -0.197 1.630 137 HD2 LYS 18 HD3 LYS 18 -12.625 -0.973 -0.711 138 HD3 LYS 18 HD2 LYS 18 -11.106 -0.110 -0.955 139 HE2 LYS 18 HE3 LYS 18 -11.617 -2.402 0.931 140 HE3 LYS 18 HE2 LYS 18 -10.630 -2.431 -0.530 141 HZ1 LYS 18 HZ1 LYS 18 -9.122 -0.849 0.512 142 HZ2 LYS 18 HZ2 LYS 18 -9.260 -2.251 1.453 143 HZ3 LYS 18 HZ3 LYS 18 -10.069 -0.838 1.916 144 H ALA 19 H ALA 19 -12.636 3.258 -3.053 145 HA ALA 19 HA ALA 19 -13.760 4.953 -4.041 146 HB1 ALA 19 HB1 ALA 19 -15.919 5.635 -3.164 147 HB2 ALA 19 HB2 ALA 19 -15.557 4.869 -1.618 148 HB3 ALA 19 HB3 ALA 19 -15.742 3.882 -3.067 149 H ALA 20 H ALA 20 -11.740 5.394 -1.664 150 HA ALA 20 HA ALA 20 -12.345 8.184 -1.080 151 HB1 ALA 20 HB1 ALA 20 -10.020 6.474 -0.230 152 HB2 ALA 20 HB2 ALA 20 -11.473 6.788 0.718 153 HB3 ALA 20 HB3 ALA 20 -10.362 8.107 0.340 154 H LEU 21 H LEU 21 -10.355 6.215 -3.110 155 HA LEU 21 HA LEU 21 -8.592 8.226 -4.048 156 HB2 LEU 21 HB3 LEU 21 -8.052 6.739 -5.823 157 HB3 LEU 21 HB2 LEU 21 -8.328 5.752 -4.403 158 HG LEU 21 HG LEU 21 -10.437 6.159 -6.525 159 HD11 LEU 21 HD11 LEU 21 -9.760 4.011 -7.448 160 HD12 LEU 21 HD12 LEU 21 -8.414 3.932 -6.312 161 HD13 LEU 21 HD13 LEU 21 -8.447 5.182 -7.555 162 HD21 LEU 21 HD21 LEU 21 -11.243 5.362 -4.360 163 HD22 LEU 21 HD22 LEU 21 -10.062 4.055 -4.392 164 HD23 LEU 21 HD23 LEU 21 -11.363 4.095 -5.580 165 H THR 22 H THR 22 -11.901 7.755 -4.407 166 HA THR 22 HA THR 22 -12.162 9.129 -6.940 167 HB THR 22 HB THR 22 -14.445 8.673 -5.046 168 HG1 THR 22 HG1 THR 22 -14.161 6.523 -6.616 169 HG21 THR 22 HG21 THR 22 -14.858 9.791 -7.189 170 HG22 THR 22 HG22 THR 22 -15.655 8.219 -7.126 171 HG23 THR 22 HG23 THR 22 -14.161 8.415 -8.044 172 H HIS 23 H HIS 23 -11.538 10.008 -3.800 173 HA HIS 23 HA HIS 23 -13.098 12.475 -3.869 174 HB2 HIS 23 HB3 HIS 23 -11.534 11.094 -1.699 175 HB3 HIS 23 HB2 HIS 23 -12.108 12.747 -1.520 176 HD1 HIS 23 HD1 HIS 23 -13.350 9.206 -1.751 177 HD2 HIS 23 HD2 HIS 23 -14.819 13.019 -1.018 178 HE1 HIS 23 HE1 HIS 23 -15.656 8.868 -0.839 179 HE2 HIS 23 HE2 HIS 23 -16.602 11.192 -0.602 180 H TYR 24 H TYR 24 -9.779 11.810 -2.713 181 HA TYR 24 HA TYR 24 -9.115 14.533 -3.417 182 HB2 TYR 24 HB3 TYR 24 -6.919 13.968 -2.273 183 HB3 TYR 24 HB2 TYR 24 -8.365 13.981 -1.279 184 HD1 TYR 24 HD1 TYR 24 -6.665 11.379 -3.413 185 HD2 TYR 24 HD2 TYR 24 -8.269 12.421 0.391 186 HE1 TYR 24 HE1 TYR 24 -6.059 9.157 -2.551 187 HE2 TYR 24 HE2 TYR 24 -7.682 10.200 1.256 188 HH TYR 24 HH TYR 24 -7.262 7.890 0.309 189 H LEU 25 H LEU 25 -8.999 11.718 -5.117 190 HA LEU 25 HA LEU 25 -6.599 12.564 -6.587 191 HB2 LEU 25 HB3 LEU 25 -7.977 9.882 -6.500 192 HB3 LEU 25 HB2 LEU 25 -6.678 10.277 -7.607 193 HG LEU 25 HG LEU 25 -6.470 10.246 -4.599 194 HD11 LEU 25 HD11 LEU 25 -6.767 8.032 -5.642 195 HD12 LEU 25 HD12 LEU 25 -5.185 8.235 -4.888 196 HD13 LEU 25 HD13 LEU 25 -5.348 8.343 -6.641 197 HD21 LEU 25 HD21 LEU 25 -4.077 10.502 -4.977 198 HD22 LEU 25 HD22 LEU 25 -4.966 11.874 -5.636 199 HD23 LEU 25 HD23 LEU 25 -4.352 10.620 -6.714
Contact the webmaster for help, if required. Thursday, May 23, 2024 10:12:27 AM GMT (wattos1)