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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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607271 |
5kgy ![]() ![]() |
30106 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA FME 1 HA FME 1 3.159 0.285 -1.162 2 HB2 FME 1 HB2 FME 1 2.708 -2.040 -1.444 3 HB3 FME 1 HB3 FME 1 2.572 -1.180 -3.018 4 HG2 FME 1 HG2 FME 1 0.003 -1.163 -2.683 5 HG3 FME 1 HG3 FME 1 0.248 -2.277 -1.290 6 HE1 FME 1 HE2 FME 1 -1.532 -3.878 -3.263 7 HE2 FME 1 HE3 FME 1 -0.652 -4.265 -1.720 8 HE3 FME 1 HE8 FME 1 -0.483 -5.350 -3.159 9 HF FME 1 HF FME 1 1.710 -0.147 2.084 10 H GLU 2 H GLU 2 3.505 1.770 -2.470 11 HA GLU 2 HA GLU 2 3.208 3.632 -3.746 12 HB2 GLU 2 HB2 GLU 2 1.042 1.795 -4.699 13 HB3 GLU 2 HB3 GLU 2 1.136 3.431 -5.334 14 HG2 GLU 2 HG2 GLU 2 2.361 2.282 -6.883 15 HG3 GLU 2 HG3 GLU 2 3.627 2.816 -5.779 16 H PHE 3 H PHE 3 1.975 3.539 -1.080 17 HA PHE 3 HA PHE 3 -0.462 5.094 -1.348 18 HB2 PHE 3 HB2 PHE 3 -0.411 3.464 0.431 19 HB3 PHE 3 HB3 PHE 3 1.081 4.144 1.071 20 HD1 PHE 3 HD1 PHE 3 0.607 4.967 3.170 21 HD2 PHE 3 HD2 PHE 3 -2.076 5.782 -0.032 22 HE1 PHE 3 HE1 PHE 3 -0.698 6.443 4.644 23 HE2 PHE 3 HE2 PHE 3 -3.385 7.260 1.436 24 HZ PHE 3 HZ PHE 3 -2.696 7.592 3.777 25 H VAL 4 H VAL 4 2.830 5.541 -0.099 26 HA VAL 4 HA VAL 4 2.383 8.359 0.382 27 HB VAL 4 HB VAL 4 4.805 8.388 0.985 28 HG11 VAL 4 HG11 VAL 4 4.489 6.700 2.937 29 HG12 VAL 4 HG12 VAL 4 3.435 8.112 2.828 30 HG13 VAL 4 HG13 VAL 4 2.856 6.535 2.291 31 HG21 VAL 4 HG21 VAL 4 5.036 5.487 1.119 32 HG22 VAL 4 HG22 VAL 4 4.942 6.097 -0.533 33 HG23 VAL 4 HG23 VAL 4 6.196 6.690 0.556 34 H ALA 5 H ALA 5 3.564 6.363 -2.164 35 HA ALA 5 HA ALA 5 5.329 7.996 -3.515 36 HB1 ALA 5 HB1 ALA 5 5.251 6.329 -4.975 37 HB2 ALA 5 HB2 ALA 5 3.903 5.639 -4.071 38 HB3 ALA 5 HB3 ALA 5 3.593 6.739 -5.413 39 H LYS 6 H LYS 6 1.863 8.266 -3.234 40 HA LYS 6 HA LYS 6 1.878 10.537 -5.104 41 HB2 LYS 6 HB2 LYS 6 0.284 8.572 -5.459 42 HB3 LYS 6 HB3 LYS 6 -0.568 9.141 -4.030 43 HG2 LYS 6 HG2 LYS 6 -0.037 11.073 -6.227 44 HG3 LYS 6 HG3 LYS 6 -1.305 9.864 -6.444 45 HD2 LYS 6 HD2 LYS 6 -2.087 10.649 -4.090 46 HD3 LYS 6 HD3 LYS 6 -1.121 12.084 -4.445 47 HE2 LYS 6 HE2 LYS 6 -3.262 12.647 -5.184 48 HE3 LYS 6 HE3 LYS 6 -2.416 12.170 -6.656 49 HZ1 LYS 6 HZ1 LYS 6 -3.416 9.902 -6.282 50 HZ2 LYS 6 HZ2 LYS 6 -4.497 11.121 -6.736 51 HZ3 LYS 6 HZ3 LYS 6 -4.418 10.619 -5.123 52 H LEU 7 H LEU 7 1.054 9.531 -1.843 53 HA LEU 7 HA LEU 7 -0.212 11.930 -1.040 54 HB2 LEU 7 HB2 LEU 7 0.078 9.489 0.062 55 HB3 LEU 7 HB3 LEU 7 1.277 10.389 0.988 56 HG LEU 7 HG LEU 7 -0.873 10.263 2.149 57 HD11 LEU 7 HD11 LEU 7 -0.448 12.253 3.034 58 HD12 LEU 7 HD12 LEU 7 -0.986 13.085 1.576 59 HD13 LEU 7 HD13 LEU 7 0.683 12.532 1.710 60 HD21 LEU 7 HD21 LEU 7 -1.990 11.913 -0.112 61 HD22 LEU 7 HD22 LEU 7 -2.851 11.294 1.298 62 HD23 LEU 7 HD23 LEU 7 -2.256 10.179 0.067 63 H PHE 8 H PHE 8 3.027 10.711 -0.165 64 HA PHE 8 HA PHE 8 3.954 13.090 0.963 65 HB2 PHE 8 HB2 PHE 8 5.262 10.644 -0.144 66 HB3 PHE 8 HB3 PHE 8 6.269 12.045 0.207 67 HD1 PHE 8 HD1 PHE 8 3.315 10.653 1.996 68 HD2 PHE 8 HD2 PHE 8 7.475 11.549 2.108 69 HE1 PHE 8 HE1 PHE 8 3.389 9.999 4.367 70 HE2 PHE 8 HE2 PHE 8 7.555 10.895 4.478 71 HZ PHE 8 HZ PHE 8 5.511 10.118 5.611 72 H LYS 9 H LYS 9 3.928 11.982 -2.366 73 HA LYS 9 HA LYS 9 5.644 13.991 -3.403 74 HB2 LYS 9 HB2 LYS 9 3.836 11.927 -4.501 75 HB3 LYS 9 HB3 LYS 9 4.115 13.319 -5.539 76 HG2 LYS 9 HG2 LYS 9 6.479 12.028 -4.301 77 HG3 LYS 9 HG3 LYS 9 5.659 11.175 -5.611 78 HD2 LYS 9 HD2 LYS 9 7.340 12.474 -6.642 79 HD3 LYS 9 HD3 LYS 9 5.826 13.335 -6.931 80 HE2 LYS 9 HE2 LYS 9 7.626 14.861 -6.275 81 HE3 LYS 9 HE3 LYS 9 6.318 14.851 -5.093 82 HZ1 LYS 9 HZ1 LYS 9 8.964 14.492 -4.558 83 HZ2 LYS 9 HZ2 LYS 9 8.345 12.919 -4.502 84 HZ3 LYS 9 HZ3 LYS 9 7.684 14.124 -3.515 85 H PHE 10 H PHE 10 2.276 13.897 -2.584 86 HA PHE 10 HA PHE 10 1.520 16.186 -4.132 87 HB2 PHE 10 HB2 PHE 10 -0.015 14.316 -3.286 88 HB3 PHE 10 HB3 PHE 10 0.044 15.129 -1.726 89 HD1 PHE 10 HD1 PHE 10 -1.333 15.151 -5.067 90 HD2 PHE 10 HD2 PHE 10 -0.881 17.410 -1.489 91 HE1 PHE 10 HE1 PHE 10 -3.151 16.645 -5.785 92 HE2 PHE 10 HE2 PHE 10 -2.699 18.907 -2.200 93 HZ PHE 10 HZ PHE 10 -3.837 18.525 -4.350 94 H PHE 11 H PHE 11 2.420 15.603 -0.765 95 HA PHE 11 HA PHE 11 1.965 18.305 0.059 96 HB2 PHE 11 HB2 PHE 11 3.152 15.862 1.301 97 HB3 PHE 11 HB3 PHE 11 3.503 17.426 2.029 98 HD1 PHE 11 HD1 PHE 11 1.799 18.683 3.160 99 HD2 PHE 11 HD2 PHE 11 0.885 14.978 1.275 100 HE1 PHE 11 HE1 PHE 11 -0.356 18.616 4.344 101 HE2 PHE 11 HE2 PHE 11 -1.272 14.906 2.455 102 HZ PHE 11 HZ PHE 11 -1.896 16.727 3.992 103 H LYS 12 H LYS 12 4.830 16.396 -0.778 104 HA LYS 12 HA LYS 12 6.803 18.255 -0.195 105 HB2 LYS 12 HB2 LYS 12 7.121 15.854 -0.913 106 HB3 LYS 12 HB3 LYS 12 6.850 16.387 -2.567 107 HG2 LYS 12 HG2 LYS 12 9.137 16.397 -2.461 108 HG3 LYS 12 HG3 LYS 12 8.771 18.071 -2.036 109 HD2 LYS 12 HD2 LYS 12 9.144 17.671 0.262 110 HD3 LYS 12 HD3 LYS 12 9.124 15.920 0.038 111 HE2 LYS 12 HE2 LYS 12 11.164 17.527 -1.420 112 HE3 LYS 12 HE3 LYS 12 11.387 17.247 0.306 113 HZ1 LYS 12 HZ1 LYS 12 10.671 14.851 -1.052 114 HZ2 LYS 12 HZ2 LYS 12 12.018 15.170 -0.080 115 HZ3 LYS 12 HZ3 LYS 12 12.060 15.538 -1.731 116 H ASP 13 H ASP 13 4.540 18.166 -2.826 117 HA ASP 13 HA ASP 13 5.918 19.972 -4.544 118 HB2 ASP 13 HB2 ASP 13 3.053 19.047 -4.389 119 HB3 ASP 13 HB3 ASP 13 3.591 20.229 -5.579 120 H LEU 14 H LEU 14 3.417 20.347 -2.074 121 HA LEU 14 HA LEU 14 2.959 23.105 -2.505 122 HB2 LEU 14 HB2 LEU 14 2.615 21.649 0.103 123 HB3 LEU 14 HB3 LEU 14 1.754 23.080 -0.460 124 HG LEU 14 HG LEU 14 1.489 20.380 -1.767 125 HD11 LEU 14 HD11 LEU 14 0.103 19.690 -0.179 126 HD12 LEU 14 HD12 LEU 14 -0.805 21.201 -0.241 127 HD13 LEU 14 HD13 LEU 14 0.615 21.067 0.796 128 HD21 LEU 14 HD21 LEU 14 -0.060 22.958 -1.923 129 HD22 LEU 14 HD22 LEU 14 -0.653 21.423 -2.559 130 HD23 LEU 14 HD23 LEU 14 0.818 22.142 -3.217 131 H LEU 15 H LEU 15 5.130 21.334 -0.349 132 HA LEU 15 HA LEU 15 6.129 23.705 0.921 133 HB2 LEU 15 HB2 LEU 15 7.473 21.019 0.884 134 HB3 LEU 15 HB3 LEU 15 7.589 22.282 2.108 135 HG LEU 15 HG LEU 15 5.098 20.672 1.561 136 HD11 LEU 15 HD11 LEU 15 6.554 19.082 2.415 137 HD12 LEU 15 HD12 LEU 15 5.751 19.698 3.859 138 HD13 LEU 15 HD13 LEU 15 7.377 20.246 3.453 139 HD21 LEU 15 HD21 LEU 15 5.662 23.027 3.121 140 HD22 LEU 15 HD22 LEU 15 5.117 21.705 4.154 141 HD23 LEU 15 HD23 LEU 15 4.119 22.236 2.799 142 H GLY 16 H GLY 16 7.022 21.749 -1.831 143 HA2 GLY 16 HA2 GLY 16 9.675 22.501 -2.189 144 HA3 GLY 16 HA3 GLY 16 8.571 22.085 -3.491 145 H LYS 17 H LYS 17 6.777 24.348 -2.690 146 HA LYS 17 HA LYS 17 7.780 26.278 -4.475 147 HB2 LYS 17 HB2 LYS 17 5.350 25.839 -3.711 148 HB3 LYS 17 HB3 LYS 17 5.736 26.891 -2.356 149 HG2 LYS 17 HG2 LYS 17 6.124 28.740 -3.787 150 HG3 LYS 17 HG3 LYS 17 6.083 27.717 -5.225 151 HD2 LYS 17 HD2 LYS 17 3.723 27.247 -4.838 152 HD3 LYS 17 HD3 LYS 17 3.756 28.224 -3.369 153 HE2 LYS 17 HE2 LYS 17 2.859 29.663 -4.965 154 HE3 LYS 17 HE3 LYS 17 4.559 30.125 -4.900 155 HZ1 LYS 17 HZ1 LYS 17 3.074 28.798 -7.034 156 HZ2 LYS 17 HZ2 LYS 17 4.684 28.330 -6.813 157 HZ3 LYS 17 HZ3 LYS 17 4.310 29.949 -7.131 158 H PHE 18 H PHE 18 7.922 25.995 -0.975 159 HA PHE 18 HA PHE 18 9.280 28.574 -0.765 160 HB2 PHE 18 HB2 PHE 18 7.469 27.943 0.852 161 HB3 PHE 18 HB3 PHE 18 8.522 26.667 1.455 162 HD1 PHE 18 HD1 PHE 18 9.904 27.109 3.241 163 HD2 PHE 18 HD2 PHE 18 8.498 30.345 0.860 164 HE1 PHE 18 HE1 PHE 18 10.945 28.703 4.799 165 HE2 PHE 18 HE2 PHE 18 9.537 31.944 2.414 166 HZ PHE 18 HZ PHE 18 10.763 31.124 4.386 167 H LEU 19 H LEU 19 9.856 25.132 -0.371 168 HA LEU 19 HA LEU 19 12.386 25.267 0.838 169 HB2 LEU 19 HB2 LEU 19 10.972 23.223 -0.823 170 HB3 LEU 19 HB3 LEU 19 12.663 22.985 -0.385 171 HG LEU 19 HG LEU 19 10.590 23.508 1.718 172 HD11 LEU 19 HD11 LEU 19 11.006 20.783 1.723 173 HD12 LEU 19 HD12 LEU 19 10.805 21.166 0.014 174 HD13 LEU 19 HD13 LEU 19 9.552 21.615 1.171 175 HD21 LEU 19 HD21 LEU 19 13.380 22.485 1.585 176 HD22 LEU 19 HD22 LEU 19 12.318 21.872 2.853 177 HD23 LEU 19 HD23 LEU 19 12.638 23.603 2.730 178 H GLY 20 H GLY 20 11.522 24.876 -2.602 179 HA2 GLY 20 HA2 GLY 20 12.935 26.499 -4.008 180 HA3 GLY 20 HA3 GLY 20 14.285 25.630 -3.294 181 H ASN 21 H ASN 21 11.578 25.420 -5.504 182 HA ASN 21 HA ASN 21 12.348 22.756 -6.376 183 HB2 ASN 21 HB2 ASN 21 10.393 22.892 -7.846 184 HB3 ASN 21 HB3 ASN 21 9.959 23.315 -6.192 185 HD21 ASN 21 HD21 ASN 21 10.349 24.449 -9.434 186 HD22 ASN 21 HD22 ASN 21 9.615 25.996 -9.204 187 H ASN 22 H ASN 22 12.320 26.069 -7.607 188 HA ASN 22 HA ASN 22 13.445 25.303 -10.149 189 HB2 ASN 22 HB2 ASN 22 11.888 27.310 -9.657 190 HB3 ASN 22 HB3 ASN 22 13.346 28.117 -9.086 191 HD21 ASN 22 HD21 ASN 22 12.905 29.629 -10.804 192 HD22 ASN 22 HD22 ASN 22 13.427 29.268 -12.411 Start of MODEL 2 1 HA FME 1 HA FME 1 1.439 -0.764 -1.656 2 HB2 FME 1 HB2 FME 1 1.145 -1.172 0.789 3 HB3 FME 1 HB3 FME 1 0.495 0.373 0.137 4 HG2 FME 1 HG2 FME 1 1.475 1.137 2.125 5 HG3 FME 1 HG3 FME 1 2.850 1.387 0.990 6 HE1 FME 1 HE2 FME 1 1.768 -2.104 3.621 7 HE2 FME 1 HE3 FME 1 1.011 -0.459 3.465 8 HE3 FME 1 HE8 FME 1 2.325 -0.743 4.677 9 HF FME 1 HF FME 1 4.618 -2.606 -1.901 10 H GLU 2 H GLU 2 0.861 1.063 -2.519 11 HA GLU 2 HA GLU 2 2.986 3.080 -2.836 12 HB2 GLU 2 HB2 GLU 2 2.072 3.503 -5.103 13 HB3 GLU 2 HB3 GLU 2 2.712 1.877 -4.912 14 HG2 GLU 2 HG2 GLU 2 0.489 0.978 -4.689 15 HG3 GLU 2 HG3 GLU 2 -0.203 2.599 -4.727 16 H PHE 3 H PHE 3 1.385 3.468 -0.748 17 HA PHE 3 HA PHE 3 -0.854 5.154 -1.550 18 HB2 PHE 3 HB2 PHE 3 -1.320 3.669 0.276 19 HB3 PHE 3 HB3 PHE 3 0.116 4.199 1.146 20 HD1 PHE 3 HD1 PHE 3 -0.493 5.296 3.064 21 HD2 PHE 3 HD2 PHE 3 -2.677 6.033 -0.514 22 HE1 PHE 3 HE1 PHE 3 -1.830 6.997 4.235 23 HE2 PHE 3 HE2 PHE 3 -4.017 7.736 0.651 24 HZ PHE 3 HZ PHE 3 -3.594 8.221 3.028 25 H VAL 4 H VAL 4 2.285 5.389 0.032 26 HA VAL 4 HA VAL 4 2.009 8.231 0.497 27 HB VAL 4 HB VAL 4 4.380 8.086 1.264 28 HG11 VAL 4 HG11 VAL 4 3.815 6.432 3.183 29 HG12 VAL 4 HG12 VAL 4 2.862 7.907 3.004 30 HG13 VAL 4 HG13 VAL 4 2.224 6.368 2.424 31 HG21 VAL 4 HG21 VAL 4 5.672 6.324 0.840 32 HG22 VAL 4 HG22 VAL 4 4.456 5.202 1.452 33 HG23 VAL 4 HG23 VAL 4 4.396 5.738 -0.227 34 H ALA 5 H ALA 5 3.217 6.156 -1.973 35 HA ALA 5 HA ALA 5 5.182 7.659 -3.192 36 HB1 ALA 5 HB1 ALA 5 5.086 6.002 -4.663 37 HB2 ALA 5 HB2 ALA 5 3.633 5.411 -3.856 38 HB3 ALA 5 HB3 ALA 5 3.495 6.531 -5.211 39 H LYS 6 H LYS 6 1.733 8.175 -3.149 40 HA LYS 6 HA LYS 6 2.039 10.441 -5.001 41 HB2 LYS 6 HB2 LYS 6 -0.306 8.717 -4.258 42 HB3 LYS 6 HB3 LYS 6 -0.553 10.312 -4.957 43 HG2 LYS 6 HG2 LYS 6 0.587 9.692 -6.958 44 HG3 LYS 6 HG3 LYS 6 1.105 8.160 -6.250 45 HD2 LYS 6 HD2 LYS 6 -0.968 7.205 -6.462 46 HD3 LYS 6 HD3 LYS 6 -1.810 8.753 -6.363 47 HE2 LYS 6 HE2 LYS 6 -0.049 8.259 -8.707 48 HE3 LYS 6 HE3 LYS 6 -1.595 7.415 -8.639 49 HZ1 LYS 6 HZ1 LYS 6 -2.586 9.692 -8.200 50 HZ2 LYS 6 HZ2 LYS 6 -2.030 9.393 -9.769 51 HZ3 LYS 6 HZ3 LYS 6 -1.103 10.329 -8.708 52 H LEU 7 H LEU 7 0.958 9.498 -1.802 53 HA LEU 7 HA LEU 7 -0.200 11.979 -1.075 54 HB2 LEU 7 HB2 LEU 7 -0.154 9.523 0.032 55 HB3 LEU 7 HB3 LEU 7 1.042 10.337 1.039 56 HG LEU 7 HG LEU 7 -1.184 10.362 2.055 57 HD11 LEU 7 HD11 LEU 7 -0.703 12.326 2.974 58 HD12 LEU 7 HD12 LEU 7 -1.039 13.188 1.473 59 HD13 LEU 7 HD13 LEU 7 0.560 12.501 1.755 60 HD21 LEU 7 HD21 LEU 7 -3.043 11.432 1.086 61 HD22 LEU 7 HD22 LEU 7 -2.373 10.413 -0.188 62 HD23 LEU 7 HD23 LEU 7 -2.066 12.150 -0.194 63 H PHE 8 H PHE 8 2.883 10.536 0.004 64 HA PHE 8 HA PHE 8 3.902 12.830 1.211 65 HB2 PHE 8 HB2 PHE 8 5.102 10.316 0.141 66 HB3 PHE 8 HB3 PHE 8 6.182 11.641 0.561 67 HD1 PHE 8 HD1 PHE 8 3.044 10.488 2.192 68 HD2 PHE 8 HD2 PHE 8 7.259 11.000 2.502 69 HE1 PHE 8 HE1 PHE 8 2.950 9.809 4.556 70 HE2 PHE 8 HE2 PHE 8 7.171 10.322 4.865 71 HZ PHE 8 HZ PHE 8 5.015 9.724 5.895 72 H LYS 9 H LYS 9 3.820 11.872 -2.133 73 HA LYS 9 HA LYS 9 5.778 13.751 -3.040 74 HB2 LYS 9 HB2 LYS 9 4.807 11.561 -4.165 75 HB3 LYS 9 HB3 LYS 9 3.652 12.695 -4.852 76 HG2 LYS 9 HG2 LYS 9 5.986 13.975 -5.351 77 HG3 LYS 9 HG3 LYS 9 6.491 12.287 -5.460 78 HD2 LYS 9 HD2 LYS 9 4.033 13.267 -6.874 79 HD3 LYS 9 HD3 LYS 9 5.635 13.452 -7.593 80 HE2 LYS 9 HE2 LYS 9 5.155 11.420 -8.460 81 HE3 LYS 9 HE3 LYS 9 5.756 10.866 -6.898 82 HZ1 LYS 9 HZ1 LYS 9 3.211 10.503 -8.001 83 HZ2 LYS 9 HZ2 LYS 9 3.039 11.477 -6.629 84 HZ3 LYS 9 HZ3 LYS 9 3.789 9.965 -6.504 85 H PHE 10 H PHE 10 2.303 13.771 -2.602 86 HA PHE 10 HA PHE 10 1.704 16.073 -4.098 87 HB2 PHE 10 HB2 PHE 10 0.149 14.295 -2.941 88 HB3 PHE 10 HB3 PHE 10 0.195 15.427 -1.594 89 HD1 PHE 10 HD1 PHE 10 -1.177 14.704 -4.840 90 HD2 PHE 10 HD2 PHE 10 -0.618 17.763 -1.934 91 HE1 PHE 10 HE1 PHE 10 -2.946 16.039 -5.910 92 HE2 PHE 10 HE2 PHE 10 -2.387 19.102 -2.998 93 HZ PHE 10 HZ PHE 10 -3.554 18.240 -4.988 94 H PHE 11 H PHE 11 2.373 15.687 -0.624 95 HA PHE 11 HA PHE 11 2.177 18.411 0.038 96 HB2 PHE 11 HB2 PHE 11 3.422 16.016 1.324 97 HB3 PHE 11 HB3 PHE 11 3.790 17.612 1.967 98 HD1 PHE 11 HD1 PHE 11 2.522 18.274 3.749 99 HD2 PHE 11 HD2 PHE 11 0.771 15.744 0.808 100 HE1 PHE 11 HE1 PHE 11 0.423 18.241 5.032 101 HE2 PHE 11 HE2 PHE 11 -1.331 15.707 2.086 102 HZ PHE 11 HZ PHE 11 -1.508 16.958 4.200 103 H LYS 12 H LYS 12 4.810 16.485 -1.228 104 HA LYS 12 HA LYS 12 6.972 18.148 -0.705 105 HB2 LYS 12 HB2 LYS 12 7.145 15.873 -1.661 106 HB3 LYS 12 HB3 LYS 12 6.509 16.480 -3.184 107 HG2 LYS 12 HG2 LYS 12 8.438 17.719 -3.631 108 HG3 LYS 12 HG3 LYS 12 8.992 17.625 -1.958 109 HD2 LYS 12 HD2 LYS 12 9.638 15.386 -2.178 110 HD3 LYS 12 HD3 LYS 12 8.674 15.159 -3.639 111 HE2 LYS 12 HE2 LYS 12 11.093 16.948 -3.440 112 HE3 LYS 12 HE3 LYS 12 11.118 15.299 -4.062 113 HZ1 LYS 12 HZ1 LYS 12 10.945 16.659 -5.935 114 HZ2 LYS 12 HZ2 LYS 12 9.792 17.672 -5.224 115 HZ3 LYS 12 HZ3 LYS 12 9.366 16.102 -5.687 116 H ASP 13 H ASP 13 4.407 18.471 -3.033 117 HA ASP 13 HA ASP 13 5.695 20.429 -4.665 118 HB2 ASP 13 HB2 ASP 13 2.807 19.605 -4.351 119 HB3 ASP 13 HB3 ASP 13 3.331 20.846 -5.487 120 H LEU 14 H LEU 14 3.714 20.513 -1.786 121 HA LEU 14 HA LEU 14 3.211 23.331 -1.885 122 HB2 LEU 14 HB2 LEU 14 3.075 21.562 0.543 123 HB3 LEU 14 HB3 LEU 14 2.219 23.076 0.258 124 HG LEU 14 HG LEU 14 1.717 20.548 -1.305 125 HD11 LEU 14 HD11 LEU 14 1.204 20.267 1.101 126 HD12 LEU 14 HD12 LEU 14 -0.224 20.198 0.069 127 HD13 LEU 14 HD13 LEU 14 0.121 21.656 0.999 128 HD21 LEU 14 HD21 LEU 14 0.321 21.759 -2.540 129 HD22 LEU 14 HD22 LEU 14 1.017 23.198 -1.794 130 HD23 LEU 14 HD23 LEU 14 -0.433 22.463 -1.110 131 H LEU 15 H LEU 15 5.564 21.244 -0.294 132 HA LEU 15 HA LEU 15 6.765 23.395 1.189 133 HB2 LEU 15 HB2 LEU 15 7.983 20.705 0.631 134 HB3 LEU 15 HB3 LEU 15 8.313 21.790 1.980 135 HG LEU 15 HG LEU 15 5.726 20.297 1.553 136 HD11 LEU 15 HD11 LEU 15 7.688 18.849 2.066 137 HD12 LEU 15 HD12 LEU 15 6.427 18.823 3.298 138 HD13 LEU 15 HD13 LEU 15 7.901 19.754 3.565 139 HD21 LEU 15 HD21 LEU 15 6.661 22.321 3.506 140 HD22 LEU 15 HD22 LEU 15 5.699 20.978 4.125 141 HD23 LEU 15 HD23 LEU 15 5.046 22.024 2.863 142 H GLY 16 H GLY 16 7.438 21.656 -1.803 143 HA2 GLY 16 HA2 GLY 16 10.010 22.536 -2.341 144 HA3 GLY 16 HA3 GLY 16 8.806 22.180 -3.571 145 H LYS 17 H LYS 17 6.998 24.290 -2.569 146 HA LYS 17 HA LYS 17 7.865 26.393 -4.227 147 HB2 LYS 17 HB2 LYS 17 5.705 26.207 -2.133 148 HB3 LYS 17 HB3 LYS 17 5.985 27.675 -3.059 149 HG2 LYS 17 HG2 LYS 17 5.703 26.231 -5.134 150 HG3 LYS 17 HG3 LYS 17 5.069 24.995 -4.045 151 HD2 LYS 17 HD2 LYS 17 3.129 26.058 -4.660 152 HD3 LYS 17 HD3 LYS 17 3.549 26.964 -3.205 153 HE2 LYS 17 HE2 LYS 17 3.040 28.632 -4.742 154 HE3 LYS 17 HE3 LYS 17 4.799 28.540 -4.816 155 HZ1 LYS 17 HZ1 LYS 17 4.658 27.249 -6.810 156 HZ2 LYS 17 HZ2 LYS 17 3.726 28.646 -7.017 157 HZ3 LYS 17 HZ3 LYS 17 2.971 27.164 -6.708 158 H PHE 18 H PHE 18 8.304 25.746 -0.835 159 HA PHE 18 HA PHE 18 9.452 28.409 -0.413 160 HB2 PHE 18 HB2 PHE 18 7.759 27.162 1.185 161 HB3 PHE 18 HB3 PHE 18 9.225 26.385 1.775 162 HD1 PHE 18 HD1 PHE 18 7.080 29.124 2.162 163 HD2 PHE 18 HD2 PHE 18 11.190 28.036 2.349 164 HE1 PHE 18 HE1 PHE 18 7.527 31.072 3.598 165 HE2 PHE 18 HE2 PHE 18 11.644 29.981 3.785 166 HZ PHE 18 HZ PHE 18 9.811 31.502 4.412 167 H LEU 19 H LEU 19 10.275 25.012 -0.506 168 HA LEU 19 HA LEU 19 12.861 25.202 0.612 169 HB2 LEU 19 HB2 LEU 19 11.705 23.221 -1.342 170 HB3 LEU 19 HB3 LEU 19 13.263 23.037 -0.541 171 HG LEU 19 HG LEU 19 10.748 23.326 1.063 172 HD11 LEU 19 HD11 LEU 19 11.766 20.610 0.464 173 HD12 LEU 19 HD12 LEU 19 10.812 21.412 -0.783 174 HD13 LEU 19 HD13 LEU 19 10.128 21.158 0.822 175 HD21 LEU 19 HD21 LEU 19 12.545 23.444 2.488 176 HD22 LEU 19 HD22 LEU 19 13.542 22.379 1.498 177 HD23 LEU 19 HD23 LEU 19 12.241 21.707 2.481 178 H GLY 20 H GLY 20 11.599 25.822 -2.579 179 HA2 GLY 20 HA2 GLY 20 13.130 27.505 -3.737 180 HA3 GLY 20 HA3 GLY 20 14.343 26.244 -3.574 181 H ASN 21 H ASN 21 11.837 27.494 -5.483 182 HA ASN 21 HA ASN 21 11.768 25.056 -7.130 183 HB2 ASN 21 HB2 ASN 21 9.709 26.073 -8.143 184 HB3 ASN 21 HB3 ASN 21 9.557 25.687 -6.431 185 HD21 ASN 21 HD21 ASN 21 9.755 27.427 -4.905 186 HD22 ASN 21 HD22 ASN 21 9.305 29.030 -5.369 187 H ASN 22 H ASN 22 13.998 26.775 -7.246 188 HA ASN 22 HA ASN 22 13.639 28.177 -9.805 189 HB2 ASN 22 HB2 ASN 22 15.931 28.399 -7.842 190 HB3 ASN 22 HB3 ASN 22 15.675 29.395 -9.272 191 HD21 ASN 22 HD21 ASN 22 15.999 30.436 -6.714 192 HD22 ASN 22 HD22 ASN 22 14.522 31.191 -6.232 Start of MODEL 3 1 HA FME 1 HA FME 1 3.029 0.809 -1.289 2 HB2 FME 1 HB2 FME 1 5.005 2.230 -0.797 3 HB3 FME 1 HB3 FME 1 5.959 1.256 -1.970 4 HG2 FME 1 HG2 FME 1 6.558 0.173 0.013 5 HG3 FME 1 HG3 FME 1 5.128 -0.823 -0.437 6 HE1 FME 1 HE2 FME 1 5.990 1.346 3.310 7 HE2 FME 1 HE3 FME 1 6.056 2.580 1.976 8 HE3 FME 1 HE8 FME 1 6.981 1.031 1.827 9 HF FME 1 HF FME 1 5.115 -1.534 -4.134 10 H GLU 2 H GLU 2 1.469 1.676 -2.336 11 HA GLU 2 HA GLU 2 2.196 3.908 -4.106 12 HB2 GLU 2 HB2 GLU 2 -0.105 1.987 -4.491 13 HB3 GLU 2 HB3 GLU 2 0.116 3.472 -5.406 14 HG2 GLU 2 HG2 GLU 2 1.935 2.650 -6.562 15 HG3 GLU 2 HG3 GLU 2 2.287 1.427 -5.342 16 H PHE 3 H PHE 3 1.734 3.983 -1.303 17 HA PHE 3 HA PHE 3 -0.900 5.268 -1.103 18 HB2 PHE 3 HB2 PHE 3 -0.588 3.551 0.554 19 HB3 PHE 3 HB3 PHE 3 0.975 4.213 1.019 20 HD1 PHE 3 HD1 PHE 3 -2.360 5.798 0.504 21 HD2 PHE 3 HD2 PHE 3 0.841 4.968 3.185 22 HE1 PHE 3 HE1 PHE 3 -3.458 7.162 2.233 23 HE2 PHE 3 HE2 PHE 3 -0.253 6.330 4.918 24 HZ PHE 3 HZ PHE 3 -2.405 7.428 4.443 25 H VAL 4 H VAL 4 2.469 5.745 -0.043 26 HA VAL 4 HA VAL 4 1.990 8.548 0.488 27 HB VAL 4 HB VAL 4 4.427 8.609 1.026 28 HG11 VAL 4 HG11 VAL 4 4.194 6.895 2.963 29 HG12 VAL 4 HG12 VAL 4 3.108 8.284 2.899 30 HG13 VAL 4 HG13 VAL 4 2.549 6.700 2.358 31 HG21 VAL 4 HG21 VAL 4 4.497 6.273 -0.491 32 HG22 VAL 4 HG22 VAL 4 5.821 6.976 0.438 33 HG23 VAL 4 HG23 VAL 4 4.786 5.749 1.168 34 H ALA 5 H ALA 5 3.132 6.605 -2.116 35 HA ALA 5 HA ALA 5 4.832 8.285 -3.493 36 HB1 ALA 5 HB1 ALA 5 3.430 5.912 -4.040 37 HB2 ALA 5 HB2 ALA 5 3.065 7.024 -5.360 38 HB3 ALA 5 HB3 ALA 5 4.741 6.635 -4.973 39 H LYS 6 H LYS 6 1.372 8.493 -3.114 40 HA LYS 6 HA LYS 6 1.299 10.790 -4.952 41 HB2 LYS 6 HB2 LYS 6 -1.042 9.234 -3.845 42 HB3 LYS 6 HB3 LYS 6 -1.087 10.453 -5.112 43 HG2 LYS 6 HG2 LYS 6 0.465 8.893 -6.413 44 HG3 LYS 6 HG3 LYS 6 0.006 7.665 -5.231 45 HD2 LYS 6 HD2 LYS 6 -1.490 7.372 -7.017 46 HD3 LYS 6 HD3 LYS 6 -2.409 8.263 -5.802 47 HE2 LYS 6 HE2 LYS 6 -2.923 9.502 -7.646 48 HE3 LYS 6 HE3 LYS 6 -1.461 10.342 -7.132 49 HZ1 LYS 6 HZ1 LYS 6 -1.338 8.111 -9.063 50 HZ2 LYS 6 HZ2 LYS 6 -0.211 9.344 -8.798 51 HZ3 LYS 6 HZ3 LYS 6 -1.673 9.689 -9.575 52 H LEU 7 H LEU 7 0.617 9.732 -1.680 53 HA LEU 7 HA LEU 7 -0.680 12.095 -0.809 54 HB2 LEU 7 HB2 LEU 7 -0.314 9.645 0.251 55 HB3 LEU 7 HB3 LEU 7 0.896 10.555 1.153 56 HG LEU 7 HG LEU 7 -1.218 10.374 2.373 57 HD11 LEU 7 HD11 LEU 7 -0.825 12.366 3.274 58 HD12 LEU 7 HD12 LEU 7 -1.378 13.206 1.826 59 HD13 LEU 7 HD13 LEU 7 0.295 12.663 1.944 60 HD21 LEU 7 HD21 LEU 7 -2.486 10.514 0.042 61 HD22 LEU 7 HD22 LEU 7 -2.583 12.217 0.493 62 HD23 LEU 7 HD23 LEU 7 -3.252 10.981 1.560 63 H PHE 8 H PHE 8 2.606 10.922 -0.051 64 HA PHE 8 HA PHE 8 3.530 13.291 1.091 65 HB2 PHE 8 HB2 PHE 8 4.840 10.899 -0.122 66 HB3 PHE 8 HB3 PHE 8 5.835 12.311 0.216 67 HD1 PHE 8 HD1 PHE 8 2.977 10.863 2.109 68 HD2 PHE 8 HD2 PHE 8 7.136 11.766 2.044 69 HE1 PHE 8 HE1 PHE 8 3.162 10.163 4.460 70 HE2 PHE 8 HE2 PHE 8 7.328 11.067 4.395 71 HZ PHE 8 HZ PHE 8 5.340 10.263 5.606 72 H LYS 9 H LYS 9 3.535 12.214 -2.266 73 HA LYS 9 HA LYS 9 5.126 14.297 -3.309 74 HB2 LYS 9 HB2 LYS 9 4.308 12.054 -4.385 75 HB3 LYS 9 HB3 LYS 9 2.934 13.021 -4.906 76 HG2 LYS 9 HG2 LYS 9 4.288 14.427 -6.219 77 HG3 LYS 9 HG3 LYS 9 5.770 13.832 -5.466 78 HD2 LYS 9 HD2 LYS 9 5.234 11.575 -6.438 79 HD3 LYS 9 HD3 LYS 9 3.936 12.353 -7.346 80 HE2 LYS 9 HE2 LYS 9 6.758 13.362 -7.480 81 HE3 LYS 9 HE3 LYS 9 6.214 12.029 -8.498 82 HZ1 LYS 9 HZ1 LYS 9 5.333 13.492 -9.882 83 HZ2 LYS 9 HZ2 LYS 9 5.859 14.771 -8.908 84 HZ3 LYS 9 HZ3 LYS 9 4.329 14.092 -8.661 85 H PHE 10 H PHE 10 1.784 14.123 -2.395 86 HA PHE 10 HA PHE 10 0.852 16.349 -3.885 87 HB2 PHE 10 HB2 PHE 10 -0.501 14.491 -2.690 88 HB3 PHE 10 HB3 PHE 10 -0.328 15.496 -1.255 89 HD1 PHE 10 HD1 PHE 10 -2.241 14.866 -4.164 90 HD2 PHE 10 HD2 PHE 10 -1.091 17.952 -1.468 91 HE1 PHE 10 HE1 PHE 10 -4.177 16.205 -4.877 92 HE2 PHE 10 HE2 PHE 10 -3.026 19.296 -2.176 93 HZ PHE 10 HZ PHE 10 -4.573 18.423 -3.882 94 H PHE 11 H PHE 11 1.980 15.993 -0.537 95 HA PHE 11 HA PHE 11 1.692 18.783 0.047 96 HB2 PHE 11 HB2 PHE 11 2.751 16.392 1.477 97 HB3 PHE 11 HB3 PHE 11 3.271 17.979 2.035 98 HD1 PHE 11 HD1 PHE 11 1.928 19.214 3.467 99 HD2 PHE 11 HD2 PHE 11 0.230 15.988 1.271 100 HE1 PHE 11 HE1 PHE 11 -0.164 19.452 4.741 101 HE2 PHE 11 HE2 PHE 11 -1.865 16.221 2.540 102 HZ PHE 11 HZ PHE 11 -2.064 17.955 4.278 103 H LYS 12 H LYS 12 4.275 16.694 -1.055 104 HA LYS 12 HA LYS 12 6.492 18.286 -0.559 105 HB2 LYS 12 HB2 LYS 12 6.375 15.912 -1.531 106 HB3 LYS 12 HB3 LYS 12 6.161 16.692 -3.093 107 HG2 LYS 12 HG2 LYS 12 8.301 17.629 -3.050 108 HG3 LYS 12 HG3 LYS 12 8.481 17.358 -1.315 109 HD2 LYS 12 HD2 LYS 12 8.082 15.003 -3.096 110 HD3 LYS 12 HD3 LYS 12 9.662 15.791 -3.077 111 HE2 LYS 12 HE2 LYS 12 9.390 15.613 -0.484 112 HE3 LYS 12 HE3 LYS 12 8.226 14.352 -0.888 113 HZ1 LYS 12 HZ1 LYS 12 10.982 14.119 -0.746 114 HZ2 LYS 12 HZ2 LYS 12 10.593 13.999 -2.388 115 HZ3 LYS 12 HZ3 LYS 12 9.878 12.949 -1.270 116 H ASP 13 H ASP 13 3.974 18.651 -2.919 117 HA ASP 13 HA ASP 13 5.375 20.461 -4.627 118 HB2 ASP 13 HB2 ASP 13 3.191 19.022 -5.030 119 HB3 ASP 13 HB3 ASP 13 2.394 20.479 -4.442 120 H LEU 14 H LEU 14 3.056 20.843 -1.975 121 HA LEU 14 HA LEU 14 2.805 23.638 -2.130 122 HB2 LEU 14 HB2 LEU 14 2.621 22.004 0.388 123 HB3 LEU 14 HB3 LEU 14 1.823 23.535 0.034 124 HG LEU 14 HG LEU 14 1.203 20.874 -1.249 125 HD11 LEU 14 HD11 LEU 14 0.475 21.014 1.078 126 HD12 LEU 14 HD12 LEU 14 -0.899 21.028 -0.028 127 HD13 LEU 14 HD13 LEU 14 -0.361 22.527 0.729 128 HD21 LEU 14 HD21 LEU 14 -0.831 22.269 -2.024 129 HD22 LEU 14 HD22 LEU 14 0.695 22.426 -2.895 130 HD23 LEU 14 HD23 LEU 14 0.214 23.659 -1.728 131 H LEU 15 H LEU 15 5.027 21.576 -0.303 132 HA LEU 15 HA LEU 15 6.344 23.815 0.938 133 HB2 LEU 15 HB2 LEU 15 7.450 21.035 0.781 134 HB3 LEU 15 HB3 LEU 15 7.689 22.249 2.036 135 HG LEU 15 HG LEU 15 5.081 20.821 1.534 136 HD11 LEU 15 HD11 LEU 15 6.659 19.177 2.241 137 HD12 LEU 15 HD12 LEU 15 5.655 19.594 3.629 138 HD13 LEU 15 HD13 LEU 15 7.290 20.242 3.497 139 HD21 LEU 15 HD21 LEU 15 5.997 22.940 3.376 140 HD22 LEU 15 HD22 LEU 15 4.990 21.672 4.076 141 HD23 LEU 15 HD23 LEU 15 4.393 22.622 2.715 142 H GLY 16 H GLY 16 6.727 21.931 -1.948 143 HA2 GLY 16 HA2 GLY 16 9.423 22.306 -2.522 144 HA3 GLY 16 HA3 GLY 16 8.156 22.152 -3.731 145 H LYS 17 H LYS 17 6.741 24.544 -2.844 146 HA LYS 17 HA LYS 17 7.914 26.434 -4.528 147 HB2 LYS 17 HB2 LYS 17 5.926 26.794 -2.281 148 HB3 LYS 17 HB3 LYS 17 6.348 28.059 -3.427 149 HG2 LYS 17 HG2 LYS 17 5.417 26.844 -5.241 150 HG3 LYS 17 HG3 LYS 17 5.231 25.392 -4.254 151 HD2 LYS 17 HD2 LYS 17 3.085 26.232 -4.241 152 HD3 LYS 17 HD3 LYS 17 3.745 26.944 -2.766 153 HE2 LYS 17 HE2 LYS 17 3.949 29.049 -3.726 154 HE3 LYS 17 HE3 LYS 17 3.925 28.411 -5.369 155 HZ1 LYS 17 HZ1 LYS 17 1.513 27.758 -4.066 156 HZ2 LYS 17 HZ2 LYS 17 1.747 28.707 -5.446 157 HZ3 LYS 17 HZ3 LYS 17 1.789 29.420 -3.912 158 H PHE 18 H PHE 18 7.912 26.284 -0.971 159 HA PHE 18 HA PHE 18 9.680 28.533 -0.731 160 HB2 PHE 18 HB2 PHE 18 8.081 28.117 1.035 161 HB3 PHE 18 HB3 PHE 18 8.725 26.498 1.290 162 HD1 PHE 18 HD1 PHE 18 9.381 30.091 1.710 163 HD2 PHE 18 HD2 PHE 18 10.682 26.136 2.594 164 HE1 PHE 18 HE1 PHE 18 10.940 30.983 3.392 165 HE2 PHE 18 HE2 PHE 18 12.242 27.022 4.278 166 HZ PHE 18 HZ PHE 18 12.372 29.448 4.679 167 H LEU 19 H LEU 19 9.992 25.030 -0.619 168 HA LEU 19 HA LEU 19 12.558 24.771 0.383 169 HB2 LEU 19 HB2 LEU 19 11.040 23.175 -1.658 170 HB3 LEU 19 HB3 LEU 19 12.659 22.715 -1.134 171 HG LEU 19 HG LEU 19 10.410 23.066 0.826 172 HD11 LEU 19 HD11 LEU 19 10.939 20.317 0.248 173 HD12 LEU 19 HD12 LEU 19 10.474 21.153 -1.233 174 HD13 LEU 19 HD13 LEU 19 9.413 21.199 0.175 175 HD21 LEU 19 HD21 LEU 19 12.233 22.836 2.134 176 HD22 LEU 19 HD22 LEU 19 13.186 22.076 0.859 177 HD23 LEU 19 HD23 LEU 19 12.016 21.123 1.774 178 H GLY 20 H GLY 20 11.515 25.490 -2.920 179 HA2 GLY 20 HA2 GLY 20 13.382 27.142 -3.802 180 HA3 GLY 20 HA3 GLY 20 14.293 25.639 -3.812 181 H ASN 21 H ASN 21 12.695 23.784 -4.796 182 HA ASN 21 HA ASN 21 11.949 22.911 -6.760 183 HB2 ASN 21 HB2 ASN 21 10.031 24.511 -5.969 184 HB3 ASN 21 HB3 ASN 21 10.532 25.488 -7.346 185 HD21 ASN 21 HD21 ASN 21 8.841 25.202 -8.673 186 HD22 ASN 21 HD22 ASN 21 8.336 23.675 -9.304 187 H ASN 22 H ASN 22 14.442 24.449 -6.776 188 HA ASN 22 HA ASN 22 14.602 25.970 -9.173 189 HB2 ASN 22 HB2 ASN 22 16.855 24.592 -7.696 190 HB3 ASN 22 HB3 ASN 22 17.000 25.937 -8.824 191 HD21 ASN 22 HD21 ASN 22 16.945 25.123 -5.649 192 HD22 ASN 22 HD22 ASN 22 16.496 26.645 -4.966 Start of MODEL 4 1 HA FME 1 HA FME 1 2.721 0.213 -0.246 2 HB2 FME 1 HB2 FME 1 2.704 -2.205 -0.262 3 HB3 FME 1 HB3 FME 1 2.181 -1.503 -1.834 4 HG2 FME 1 HG2 FME 1 -0.194 -2.041 -1.360 5 HG3 FME 1 HG3 FME 1 0.219 -2.630 0.290 6 HE1 FME 1 HE2 FME 1 1.144 -4.260 -3.866 7 HE2 FME 1 HE3 FME 1 0.230 -2.796 -3.295 8 HE3 FME 1 HE8 FME 1 -0.559 -4.426 -3.272 9 HF FME 1 HF FME 1 2.167 -0.422 3.256 10 H GLU 2 H GLU 2 2.391 1.315 -1.977 11 HA GLU 2 HA GLU 2 1.414 2.913 -3.274 12 HB2 GLU 2 HB2 GLU 2 0.219 0.646 -3.894 13 HB3 GLU 2 HB3 GLU 2 -1.176 1.426 -3.162 14 HG2 GLU 2 HG2 GLU 2 -1.464 2.038 -5.333 15 HG3 GLU 2 HG3 GLU 2 -0.508 3.401 -4.753 16 H PHE 3 H PHE 3 1.481 3.735 -0.727 17 HA PHE 3 HA PHE 3 -1.117 5.074 -0.378 18 HB2 PHE 3 HB2 PHE 3 -0.952 3.474 1.402 19 HB3 PHE 3 HB3 PHE 3 0.705 3.953 1.754 20 HD1 PHE 3 HD1 PHE 3 0.823 4.935 3.821 21 HD2 PHE 3 HD2 PHE 3 -2.464 5.867 1.284 22 HE1 PHE 3 HE1 PHE 3 0.002 6.552 5.484 23 HE2 PHE 3 HE2 PHE 3 -3.290 7.486 2.942 24 HZ PHE 3 HZ PHE 3 -2.056 7.831 5.045 25 H VAL 4 H VAL 4 2.370 5.222 0.234 26 HA VAL 4 HA VAL 4 2.275 8.058 0.794 27 HB VAL 4 HB VAL 4 4.762 7.869 0.907 28 HG11 VAL 4 HG11 VAL 4 4.691 6.185 2.883 29 HG12 VAL 4 HG12 VAL 4 3.757 7.678 2.983 30 HG13 VAL 4 HG13 VAL 4 2.956 6.161 2.571 31 HG21 VAL 4 HG21 VAL 4 4.761 4.957 0.991 32 HG22 VAL 4 HG22 VAL 4 4.395 5.601 -0.609 33 HG23 VAL 4 HG23 VAL 4 5.886 6.067 0.208 34 H ALA 5 H ALA 5 2.752 6.013 -1.936 35 HA ALA 5 HA ALA 5 4.353 7.511 -3.609 36 HB1 ALA 5 HB1 ALA 5 2.645 5.296 -3.871 37 HB2 ALA 5 HB2 ALA 5 2.173 6.441 -5.127 38 HB3 ALA 5 HB3 ALA 5 3.843 5.882 -5.025 39 H LYS 6 H LYS 6 1.048 8.073 -2.648 40 HA LYS 6 HA LYS 6 0.895 10.368 -4.484 41 HB2 LYS 6 HB2 LYS 6 -0.904 8.465 -4.375 42 HB3 LYS 6 HB3 LYS 6 -1.458 9.330 -2.947 43 HG2 LYS 6 HG2 LYS 6 -2.754 10.102 -4.764 44 HG3 LYS 6 HG3 LYS 6 -1.609 11.389 -4.376 45 HD2 LYS 6 HD2 LYS 6 -1.318 11.349 -6.631 46 HD3 LYS 6 HD3 LYS 6 -0.159 10.089 -6.199 47 HE2 LYS 6 HE2 LYS 6 -1.463 9.242 -7.992 48 HE3 LYS 6 HE3 LYS 6 -2.009 8.421 -6.531 49 HZ1 LYS 6 HZ1 LYS 6 -3.847 9.158 -7.956 50 HZ2 LYS 6 HZ2 LYS 6 -3.359 10.765 -7.755 51 HZ3 LYS 6 HZ3 LYS 6 -3.903 9.874 -6.424 52 H LEU 7 H LEU 7 0.666 9.379 -1.127 53 HA LEU 7 HA LEU 7 -0.213 11.861 -0.085 54 HB2 LEU 7 HB2 LEU 7 0.078 9.386 0.936 55 HB3 LEU 7 HB3 LEU 7 1.514 10.162 1.602 56 HG LEU 7 HG LEU 7 -0.362 10.201 3.172 57 HD11 LEU 7 HD11 LEU 7 0.383 12.140 3.958 58 HD12 LEU 7 HD12 LEU 7 -0.323 13.036 2.613 59 HD13 LEU 7 HD13 LEU 7 1.281 12.320 2.451 60 HD21 LEU 7 HD21 LEU 7 -1.968 10.534 1.040 61 HD22 LEU 7 HD22 LEU 7 -1.859 12.202 1.604 62 HD23 LEU 7 HD23 LEU 7 -2.440 10.939 2.690 63 H PHE 8 H PHE 8 3.020 10.360 0.125 64 HA PHE 8 HA PHE 8 4.358 12.622 1.053 65 HB2 PHE 8 HB2 PHE 8 5.196 10.112 -0.330 66 HB3 PHE 8 HB3 PHE 8 6.370 11.416 -0.183 67 HD1 PHE 8 HD1 PHE 8 3.744 10.237 2.177 68 HD2 PHE 8 HD2 PHE 8 7.899 10.755 1.413 69 HE1 PHE 8 HE1 PHE 8 4.253 9.514 4.473 70 HE2 PHE 8 HE2 PHE 8 8.415 10.031 3.707 71 HZ PHE 8 HZ PHE 8 6.591 9.408 5.240 72 H LYS 9 H LYS 9 3.681 11.555 -2.239 73 HA LYS 9 HA LYS 9 5.267 13.481 -3.562 74 HB2 LYS 9 HB2 LYS 9 4.069 11.314 -4.443 75 HB3 LYS 9 HB3 LYS 9 2.744 12.422 -4.776 76 HG2 LYS 9 HG2 LYS 9 4.419 13.823 -6.056 77 HG3 LYS 9 HG3 LYS 9 5.520 12.449 -5.920 78 HD2 LYS 9 HD2 LYS 9 4.013 11.036 -7.127 79 HD3 LYS 9 HD3 LYS 9 2.747 12.266 -7.089 80 HE2 LYS 9 HE2 LYS 9 4.561 13.714 -8.313 81 HE3 LYS 9 HE3 LYS 9 5.233 12.139 -8.733 82 HZ1 LYS 9 HZ1 LYS 9 3.070 13.478 -9.910 83 HZ2 LYS 9 HZ2 LYS 9 2.483 12.056 -9.207 84 HZ3 LYS 9 HZ3 LYS 9 3.738 11.984 -10.338 85 H PHE 10 H PHE 10 2.105 13.599 -2.131 86 HA PHE 10 HA PHE 10 1.117 15.876 -3.480 87 HB2 PHE 10 HB2 PHE 10 -0.186 14.213 -2.042 88 HB3 PHE 10 HB3 PHE 10 0.414 15.108 -0.650 89 HD1 PHE 10 HD1 PHE 10 -2.002 14.997 -3.308 90 HD2 PHE 10 HD2 PHE 10 -0.187 17.524 -0.404 91 HE1 PHE 10 HE1 PHE 10 -3.857 16.597 -3.545 92 HE2 PHE 10 HE2 PHE 10 -2.039 19.127 -0.635 93 HZ PHE 10 HZ PHE 10 -3.877 18.664 -2.207 94 H PHE 11 H PHE 11 2.689 15.535 -0.303 95 HA PHE 11 HA PHE 11 2.795 18.342 0.171 96 HB2 PHE 11 HB2 PHE 11 3.856 15.901 1.500 97 HB3 PHE 11 HB3 PHE 11 4.647 17.428 1.872 98 HD1 PHE 11 HD1 PHE 11 3.643 19.010 3.299 99 HD2 PHE 11 HD2 PHE 11 1.418 15.642 1.948 100 HE1 PHE 11 HE1 PHE 11 1.871 19.533 4.924 101 HE2 PHE 11 HE2 PHE 11 -0.358 16.161 3.570 102 HZ PHE 11 HZ PHE 11 -0.134 18.109 5.060 103 H LYS 12 H LYS 12 4.974 15.995 -1.250 104 HA LYS 12 HA LYS 12 7.363 17.394 -1.225 105 HB2 LYS 12 HB2 LYS 12 7.163 15.072 -1.987 106 HB3 LYS 12 HB3 LYS 12 6.282 15.607 -3.413 107 HG2 LYS 12 HG2 LYS 12 8.979 16.749 -2.926 108 HG3 LYS 12 HG3 LYS 12 8.863 15.080 -3.488 109 HD2 LYS 12 HD2 LYS 12 7.241 16.071 -5.264 110 HD3 LYS 12 HD3 LYS 12 8.010 17.605 -4.851 111 HE2 LYS 12 HE2 LYS 12 9.128 16.608 -6.750 112 HE3 LYS 12 HE3 LYS 12 10.206 16.610 -5.355 113 HZ1 LYS 12 HZ1 LYS 12 9.390 14.431 -6.907 114 HZ2 LYS 12 HZ2 LYS 12 8.765 14.211 -5.351 115 HZ3 LYS 12 HZ3 LYS 12 10.427 14.433 -5.570 116 H ASP 13 H ASP 13 4.610 17.705 -3.402 117 HA ASP 13 HA ASP 13 5.849 19.454 -5.253 118 HB2 ASP 13 HB2 ASP 13 3.744 18.142 -5.660 119 HB3 ASP 13 HB3 ASP 13 2.900 19.279 -4.611 120 H LEU 14 H LEU 14 4.119 19.958 -2.240 121 HA LEU 14 HA LEU 14 3.865 22.782 -2.508 122 HB2 LEU 14 HB2 LEU 14 3.947 21.344 0.118 123 HB3 LEU 14 HB3 LEU 14 3.031 22.782 -0.328 124 HG LEU 14 HG LEU 14 2.456 19.955 -1.217 125 HD11 LEU 14 HD11 LEU 14 0.789 19.864 0.338 126 HD12 LEU 14 HD12 LEU 14 0.586 21.614 0.391 127 HD13 LEU 14 HD13 LEU 14 1.955 20.861 1.208 128 HD21 LEU 14 HD21 LEU 14 1.359 22.607 -2.021 129 HD22 LEU 14 HD22 LEU 14 0.271 21.221 -1.932 130 HD23 LEU 14 HD23 LEU 14 1.676 21.173 -2.998 131 H LEU 15 H LEU 15 6.255 20.643 -1.056 132 HA LEU 15 HA LEU 15 7.773 22.775 0.122 133 HB2 LEU 15 HB2 LEU 15 8.552 19.914 -0.425 134 HB3 LEU 15 HB3 LEU 15 9.431 21.047 0.600 135 HG LEU 15 HG LEU 15 6.681 19.920 1.127 136 HD11 LEU 15 HD11 LEU 15 8.518 18.323 1.452 137 HD12 LEU 15 HD12 LEU 15 7.744 18.766 2.973 138 HD13 LEU 15 HD13 LEU 15 9.304 19.465 2.543 139 HD21 LEU 15 HD21 LEU 15 8.217 22.143 2.336 140 HD22 LEU 15 HD22 LEU 15 7.391 21.045 3.442 141 HD23 LEU 15 HD23 LEU 15 6.474 21.905 2.204 142 H GLY 16 H GLY 16 8.082 20.743 -2.769 143 HA2 GLY 16 HA2 GLY 16 10.567 21.762 -3.631 144 HA3 GLY 16 HA3 GLY 16 9.378 20.965 -4.651 145 H LYS 17 H LYS 17 7.361 23.055 -3.826 146 HA LYS 17 HA LYS 17 8.023 24.931 -5.930 147 HB2 LYS 17 HB2 LYS 17 5.735 23.907 -5.618 148 HB3 LYS 17 HB3 LYS 17 5.563 24.903 -4.179 149 HG2 LYS 17 HG2 LYS 17 5.323 26.831 -5.370 150 HG3 LYS 17 HG3 LYS 17 6.290 26.245 -6.726 151 HD2 LYS 17 HD2 LYS 17 4.267 24.548 -6.953 152 HD3 LYS 17 HD3 LYS 17 3.403 25.848 -6.129 153 HE2 LYS 17 HE2 LYS 17 3.106 26.341 -8.384 154 HE3 LYS 17 HE3 LYS 17 4.446 27.384 -7.909 155 HZ1 LYS 17 HZ1 LYS 17 5.849 26.318 -9.260 156 HZ2 LYS 17 HZ2 LYS 17 4.463 25.726 -10.028 157 HZ3 LYS 17 HZ3 LYS 17 5.252 24.785 -8.864 158 H PHE 18 H PHE 18 6.878 25.296 -2.567 159 HA PHE 18 HA PHE 18 7.463 28.017 -2.341 160 HB2 PHE 18 HB2 PHE 18 6.146 26.345 -0.769 161 HB3 PHE 18 HB3 PHE 18 7.698 26.251 0.057 162 HD1 PHE 18 HD1 PHE 18 8.252 27.831 1.650 163 HD2 PHE 18 HD2 PHE 18 5.200 28.711 -1.183 164 HE1 PHE 18 HE1 PHE 18 7.737 29.913 2.856 165 HE2 PHE 18 HE2 PHE 18 4.680 30.794 0.018 166 HZ PHE 18 HZ PHE 18 5.950 31.398 2.040 167 H LEU 19 H LEU 19 9.465 25.180 -1.836 168 HA LEU 19 HA LEU 19 11.715 26.887 -1.040 169 HB2 LEU 19 HB2 LEU 19 11.701 23.887 -1.055 170 HB3 LEU 19 HB3 LEU 19 12.759 24.974 -0.158 171 HG LEU 19 HG LEU 19 9.811 24.725 0.404 172 HD11 LEU 19 HD11 LEU 19 11.407 23.503 2.414 173 HD12 LEU 19 HD12 LEU 19 11.813 22.778 0.859 174 HD13 LEU 19 HD13 LEU 19 10.141 22.785 1.418 175 HD21 LEU 19 HD21 LEU 19 11.978 25.617 2.273 176 HD22 LEU 19 HD22 LEU 19 10.243 25.923 2.355 177 HD23 LEU 19 HD23 LEU 19 11.227 26.742 1.141 178 H GLY 20 H GLY 20 10.656 26.646 -3.795 179 HA2 GLY 20 HA2 GLY 20 12.421 25.040 -5.339 180 HA3 GLY 20 HA3 GLY 20 11.421 26.352 -5.944 181 H ASN 21 H ASN 21 12.497 28.430 -4.340 182 HA ASN 21 HA ASN 21 15.309 28.525 -5.180 183 HB2 ASN 21 HB2 ASN 21 15.092 30.579 -6.279 184 HB3 ASN 21 HB3 ASN 21 13.656 29.698 -6.792 185 HD21 ASN 21 HD21 ASN 21 11.694 30.503 -6.342 186 HD22 ASN 21 HD22 ASN 21 11.411 31.953 -5.447 187 H ASN 22 H ASN 22 16.426 30.492 -4.208 188 HA ASN 22 HA ASN 22 15.314 31.164 -1.573 189 HB2 ASN 22 HB2 ASN 22 18.174 30.313 -2.082 190 HB3 ASN 22 HB3 ASN 22 17.509 30.829 -0.535 191 HD21 ASN 22 HD21 ASN 22 15.497 29.547 0.116 192 HD22 ASN 22 HD22 ASN 22 15.607 27.833 -0.076 Start of MODEL 5 1 HA FME 1 HA FME 1 2.908 0.098 -0.159 2 HB2 FME 1 HB2 FME 1 0.489 -1.758 -0.334 3 HB3 FME 1 HB3 FME 1 2.020 -2.157 0.521 4 HG2 FME 1 HG2 FME 1 3.315 -1.774 -1.623 5 HG3 FME 1 HG3 FME 1 1.772 -1.451 -2.491 6 HE1 FME 1 HE2 FME 1 4.111 -4.843 -2.293 7 HE2 FME 1 HE3 FME 1 3.973 -3.207 -3.074 8 HE3 FME 1 HE8 FME 1 3.115 -4.631 -3.791 9 HF FME 1 HF FME 1 1.959 1.548 3.070 10 H GLU 2 H GLU 2 2.945 1.486 -1.584 11 HA GLU 2 HA GLU 2 2.339 3.130 -3.039 12 HB2 GLU 2 HB2 GLU 2 -0.051 1.308 -3.354 13 HB3 GLU 2 HB3 GLU 2 0.328 2.646 -4.429 14 HG2 GLU 2 HG2 GLU 2 2.058 0.230 -3.950 15 HG3 GLU 2 HG3 GLU 2 1.037 0.510 -5.359 16 H PHE 3 H PHE 3 1.623 3.513 -0.273 17 HA PHE 3 HA PHE 3 -0.911 4.975 -0.447 18 HB2 PHE 3 HB2 PHE 3 -0.808 3.499 1.443 19 HB3 PHE 3 HB3 PHE 3 0.771 4.122 1.913 20 HD1 PHE 3 HD1 PHE 3 0.669 5.299 3.871 21 HD2 PHE 3 HD2 PHE 3 -2.511 5.692 1.069 22 HE1 PHE 3 HE1 PHE 3 -0.418 6.946 5.340 23 HE2 PHE 3 HE2 PHE 3 -3.602 7.340 2.533 24 HZ PHE 3 HZ PHE 3 -2.556 7.970 4.672 25 H VAL 4 H VAL 4 2.415 5.441 0.739 26 HA VAL 4 HA VAL 4 2.054 8.307 0.879 27 HB VAL 4 HB VAL 4 4.461 8.331 1.538 28 HG11 VAL 4 HG11 VAL 4 4.046 6.894 3.663 29 HG12 VAL 4 HG12 VAL 4 3.040 8.313 3.363 30 HG13 VAL 4 HG13 VAL 4 2.424 6.701 2.998 31 HG21 VAL 4 HG21 VAL 4 4.547 5.872 0.302 32 HG22 VAL 4 HG22 VAL 4 5.804 6.556 1.334 33 HG23 VAL 4 HG23 VAL 4 4.600 5.463 2.017 34 H ALA 5 H ALA 5 3.221 5.993 -1.388 35 HA ALA 5 HA ALA 5 5.070 7.400 -2.872 36 HB1 ALA 5 HB1 ALA 5 3.575 5.042 -3.188 37 HB2 ALA 5 HB2 ALA 5 3.332 5.988 -4.657 38 HB3 ALA 5 HB3 ALA 5 4.965 5.577 -4.133 39 H LYS 6 H LYS 6 1.611 7.812 -2.714 40 HA LYS 6 HA LYS 6 1.748 9.851 -4.831 41 HB2 LYS 6 HB2 LYS 6 0.096 7.910 -5.004 42 HB3 LYS 6 HB3 LYS 6 -0.769 8.665 -3.671 43 HG2 LYS 6 HG2 LYS 6 -0.122 10.324 -6.050 44 HG3 LYS 6 HG3 LYS 6 -1.417 9.131 -6.177 45 HD2 LYS 6 HD2 LYS 6 -2.222 10.197 -3.930 46 HD3 LYS 6 HD3 LYS 6 -1.235 11.565 -4.452 47 HE2 LYS 6 HE2 LYS 6 -2.562 11.985 -6.297 48 HE3 LYS 6 HE3 LYS 6 -3.192 10.340 -6.348 49 HZ1 LYS 6 HZ1 LYS 6 -3.829 11.960 -4.001 50 HZ2 LYS 6 HZ2 LYS 6 -4.761 10.792 -4.793 51 HZ3 LYS 6 HZ3 LYS 6 -4.618 12.345 -5.448 52 H LEU 7 H LEU 7 0.837 9.256 -1.497 53 HA LEU 7 HA LEU 7 -0.375 11.766 -1.005 54 HB2 LEU 7 HB2 LEU 7 -0.184 9.463 0.378 55 HB3 LEU 7 HB3 LEU 7 1.029 10.426 1.219 56 HG LEU 7 HG LEU 7 -1.144 10.502 2.342 57 HD11 LEU 7 HD11 LEU 7 -0.693 12.576 2.999 58 HD12 LEU 7 HD12 LEU 7 -1.131 13.243 1.426 59 HD13 LEU 7 HD13 LEU 7 0.504 12.643 1.705 60 HD21 LEU 7 HD21 LEU 7 -2.325 10.359 -0.008 61 HD22 LEU 7 HD22 LEU 7 -2.298 12.117 0.124 62 HD23 LEU 7 HD23 LEU 7 -3.105 11.152 1.361 63 H PHE 8 H PHE 8 2.809 10.567 0.078 64 HA PHE 8 HA PHE 8 3.791 13.021 0.955 65 HB2 PHE 8 HB2 PHE 8 5.041 10.441 0.123 66 HB3 PHE 8 HB3 PHE 8 6.084 11.843 0.335 67 HD1 PHE 8 HD1 PHE 8 3.075 10.759 2.237 68 HD2 PHE 8 HD2 PHE 8 7.268 11.491 2.285 69 HE1 PHE 8 HE1 PHE 8 3.114 10.357 4.664 70 HE2 PHE 8 HE2 PHE 8 7.313 11.089 4.712 71 HZ PHE 8 HZ PHE 8 5.235 10.521 5.904 72 H LYS 9 H LYS 9 3.820 11.558 -2.241 73 HA LYS 9 HA LYS 9 5.584 13.409 -3.455 74 HB2 LYS 9 HB2 LYS 9 4.689 11.083 -4.278 75 HB3 LYS 9 HB3 LYS 9 3.405 12.048 -4.994 76 HG2 LYS 9 HG2 LYS 9 6.267 12.748 -5.487 77 HG3 LYS 9 HG3 LYS 9 5.487 11.455 -6.402 78 HD2 LYS 9 HD2 LYS 9 3.620 13.275 -6.750 79 HD3 LYS 9 HD3 LYS 9 4.947 14.388 -6.408 80 HE2 LYS 9 HE2 LYS 9 4.806 12.320 -8.595 81 HE3 LYS 9 HE3 LYS 9 4.810 14.073 -8.781 82 HZ1 LYS 9 HZ1 LYS 9 7.061 14.072 -7.790 83 HZ2 LYS 9 HZ2 LYS 9 6.980 13.247 -9.264 84 HZ3 LYS 9 HZ3 LYS 9 7.047 12.381 -7.812 85 H PHE 10 H PHE 10 2.162 13.443 -2.782 86 HA PHE 10 HA PHE 10 1.522 15.610 -4.528 87 HB2 PHE 10 HB2 PHE 10 -0.071 13.853 -3.517 88 HB3 PHE 10 HB3 PHE 10 -0.055 14.863 -2.075 89 HD1 PHE 10 HD1 PHE 10 -1.408 14.392 -5.363 90 HD2 PHE 10 HD2 PHE 10 -0.837 17.243 -2.255 91 HE1 PHE 10 HE1 PHE 10 -3.167 15.806 -6.342 92 HE2 PHE 10 HE2 PHE 10 -2.596 18.662 -3.228 93 HZ PHE 10 HZ PHE 10 -3.764 17.944 -5.274 94 H PHE 11 H PHE 11 2.171 15.343 -1.050 95 HA PHE 11 HA PHE 11 1.812 18.111 -0.514 96 HB2 PHE 11 HB2 PHE 11 2.883 15.765 0.977 97 HB3 PHE 11 HB3 PHE 11 3.311 17.370 1.561 98 HD1 PHE 11 HD1 PHE 11 2.011 18.112 3.286 99 HD2 PHE 11 HD2 PHE 11 0.229 15.706 0.261 100 HE1 PHE 11 HE1 PHE 11 -0.155 18.269 4.442 101 HE2 PHE 11 HE2 PHE 11 -1.940 15.860 1.412 102 HZ PHE 11 HZ PHE 11 -2.135 17.144 3.505 103 H LYS 12 H LYS 12 4.515 16.156 -1.533 104 HA LYS 12 HA LYS 12 6.634 17.858 -0.893 105 HB2 LYS 12 HB2 LYS 12 6.758 15.482 -1.776 106 HB3 LYS 12 HB3 LYS 12 6.484 16.152 -3.379 107 HG2 LYS 12 HG2 LYS 12 8.522 17.638 -2.875 108 HG3 LYS 12 HG3 LYS 12 8.852 16.486 -1.580 109 HD2 LYS 12 HD2 LYS 12 9.108 14.699 -3.100 110 HD3 LYS 12 HD3 LYS 12 8.389 15.621 -4.423 111 HE2 LYS 12 HE2 LYS 12 10.712 15.611 -4.834 112 HE3 LYS 12 HE3 LYS 12 10.345 17.212 -4.194 113 HZ1 LYS 12 HZ1 LYS 12 11.140 16.511 -2.037 114 HZ2 LYS 12 HZ2 LYS 12 12.344 16.263 -3.199 115 HZ3 LYS 12 HZ3 LYS 12 11.449 14.951 -2.615 116 H ASP 13 H ASP 13 4.240 18.059 -3.394 117 HA ASP 13 HA ASP 13 5.663 19.931 -5.032 118 HB2 ASP 13 HB2 ASP 13 2.760 19.100 -4.940 119 HB3 ASP 13 HB3 ASP 13 3.401 20.251 -6.109 120 H LEU 14 H LEU 14 3.531 20.124 -2.292 121 HA LEU 14 HA LEU 14 2.951 22.923 -2.603 122 HB2 LEU 14 HB2 LEU 14 2.660 21.306 -0.087 123 HB3 LEU 14 HB3 LEU 14 1.779 22.759 -0.555 124 HG LEU 14 HG LEU 14 1.504 20.136 -2.008 125 HD11 LEU 14 HD11 LEU 14 0.824 20.371 0.571 126 HD12 LEU 14 HD12 LEU 14 -0.098 19.415 -0.589 127 HD13 LEU 14 HD13 LEU 14 -0.625 21.046 -0.175 128 HD21 LEU 14 HD21 LEU 14 -0.688 21.222 -2.644 129 HD22 LEU 14 HD22 LEU 14 0.763 21.935 -3.349 130 HD23 LEU 14 HD23 LEU 14 -0.033 22.721 -1.985 131 H LEU 15 H LEU 15 5.229 20.974 -0.759 132 HA LEU 15 HA LEU 15 6.280 23.259 0.663 133 HB2 LEU 15 HB2 LEU 15 7.548 20.544 0.495 134 HB3 LEU 15 HB3 LEU 15 7.700 21.747 1.774 135 HG LEU 15 HG LEU 15 5.163 20.230 1.174 136 HD11 LEU 15 HD11 LEU 15 6.829 18.650 1.886 137 HD12 LEU 15 HD12 LEU 15 5.713 18.948 3.219 138 HD13 LEU 15 HD13 LEU 15 7.310 19.697 3.222 139 HD21 LEU 15 HD21 LEU 15 5.813 22.479 2.849 140 HD22 LEU 15 HD22 LEU 15 5.255 21.118 3.822 141 HD23 LEU 15 HD23 LEU 15 4.245 21.743 2.517 142 H GLY 16 H GLY 16 6.971 21.496 -2.242 143 HA2 GLY 16 HA2 GLY 16 9.673 22.146 -2.604 144 HA3 GLY 16 HA3 GLY 16 8.531 21.807 -3.895 145 H LYS 17 H LYS 17 6.855 24.120 -2.832 146 HA LYS 17 HA LYS 17 7.817 26.079 -4.622 147 HB2 LYS 17 HB2 LYS 17 5.421 25.709 -3.765 148 HB3 LYS 17 HB3 LYS 17 5.914 26.640 -2.358 149 HG2 LYS 17 HG2 LYS 17 4.883 28.184 -3.776 150 HG3 LYS 17 HG3 LYS 17 6.613 28.453 -3.997 151 HD2 LYS 17 HD2 LYS 17 5.864 28.430 -6.179 152 HD3 LYS 17 HD3 LYS 17 6.341 26.746 -5.953 153 HE2 LYS 17 HE2 LYS 17 4.235 26.659 -6.995 154 HE3 LYS 17 HE3 LYS 17 3.926 26.311 -5.295 155 HZ1 LYS 17 HZ1 LYS 17 3.143 28.613 -6.890 156 HZ2 LYS 17 HZ2 LYS 17 3.617 28.941 -5.300 157 HZ3 LYS 17 HZ3 LYS 17 2.344 27.868 -5.598 158 H PHE 18 H PHE 18 8.299 25.537 -1.211 159 HA PHE 18 HA PHE 18 9.787 28.063 -1.003 160 HB2 PHE 18 HB2 PHE 18 7.968 27.635 0.660 161 HB3 PHE 18 HB3 PHE 18 8.879 26.243 1.235 162 HD1 PHE 18 HD1 PHE 18 8.727 29.894 1.101 163 HD2 PHE 18 HD2 PHE 18 10.881 26.519 2.547 164 HE1 PHE 18 HE1 PHE 18 9.975 31.354 2.639 165 HE2 PHE 18 HE2 PHE 18 12.132 27.974 4.088 166 HZ PHE 18 HZ PHE 18 11.679 30.394 4.136 167 H LEU 19 H LEU 19 10.034 24.583 -0.562 168 HA LEU 19 HA LEU 19 12.559 24.435 0.605 169 HB2 LEU 19 HB2 LEU 19 10.982 22.606 -1.155 170 HB3 LEU 19 HB3 LEU 19 12.642 22.196 -0.727 171 HG LEU 19 HG LEU 19 10.663 22.827 1.425 172 HD11 LEU 19 HD11 LEU 19 10.994 19.997 0.645 173 HD12 LEU 19 HD12 LEU 19 9.957 20.986 -0.382 174 HD13 LEU 19 HD13 LEU 19 9.604 20.832 1.339 175 HD21 LEU 19 HD21 LEU 19 13.304 22.305 1.498 176 HD22 LEU 19 HD22 LEU 19 12.660 20.670 1.645 177 HD23 LEU 19 HD23 LEU 19 12.191 21.911 2.808 178 H GLY 20 H GLY 20 11.622 24.770 -2.781 179 HA2 GLY 20 HA2 GLY 20 14.168 25.897 -3.450 180 HA3 GLY 20 HA3 GLY 20 13.984 24.269 -4.086 181 H ASN 21 H ASN 21 12.777 27.555 -4.209 182 HA ASN 21 HA ASN 21 10.868 27.028 -6.284 183 HB2 ASN 21 HB2 ASN 21 10.654 28.905 -4.645 184 HB3 ASN 21 HB3 ASN 21 12.024 29.689 -5.427 185 HD21 ASN 21 HD21 ASN 21 10.608 31.457 -5.838 186 HD22 ASN 21 HD22 ASN 21 9.505 31.402 -7.167 187 H ASN 22 H ASN 22 13.733 29.154 -6.314 188 HA ASN 22 HA ASN 22 13.991 28.696 -9.186 189 HB2 ASN 22 HB2 ASN 22 15.408 30.616 -9.236 190 HB3 ASN 22 HB3 ASN 22 14.053 31.018 -8.185 191 HD21 ASN 22 HD21 ASN 22 17.178 31.512 -8.491 192 HD22 ASN 22 HD22 ASN 22 17.677 31.565 -6.838 Start of MODEL 6 1 HA FME 1 HA FME 1 2.635 -0.274 -0.234 2 HB2 FME 1 HB2 FME 1 1.858 -1.362 -2.577 3 HB3 FME 1 HB3 FME 1 0.417 -1.758 -1.576 4 HG2 FME 1 HG2 FME 1 1.923 -2.848 0.150 5 HG3 FME 1 HG3 FME 1 3.347 -2.526 -0.903 6 HE1 FME 1 HE2 FME 1 3.198 -4.952 0.024 7 HE2 FME 1 HE3 FME 1 3.874 -5.551 -1.553 8 HE3 FME 1 HE8 FME 1 2.402 -6.329 -0.842 9 HF FME 1 HF FME 1 -0.180 1.229 1.793 10 H GLU 2 H GLU 2 -0.114 0.947 -2.137 11 HA GLU 2 HA GLU 2 1.731 2.995 -3.174 12 HB2 GLU 2 HB2 GLU 2 0.479 1.320 -4.735 13 HB3 GLU 2 HB3 GLU 2 -0.910 2.356 -4.442 14 HG2 GLU 2 HG2 GLU 2 0.585 4.282 -5.183 15 HG3 GLU 2 HG3 GLU 2 1.676 3.039 -5.791 16 H PHE 3 H PHE 3 0.606 3.326 -0.641 17 HA PHE 3 HA PHE 3 -1.633 5.166 -0.978 18 HB2 PHE 3 HB2 PHE 3 -1.841 3.606 0.853 19 HB3 PHE 3 HB3 PHE 3 -0.268 4.076 1.489 20 HD1 PHE 3 HD1 PHE 3 -0.600 5.060 3.542 21 HD2 PHE 3 HD2 PHE 3 -3.163 6.102 0.307 22 HE1 PHE 3 HE1 PHE 3 -1.680 6.764 4.951 23 HE2 PHE 3 HE2 PHE 3 -4.246 7.808 1.710 24 HZ PHE 3 HZ PHE 3 -3.505 8.141 4.035 25 H VAL 4 H VAL 4 1.723 5.141 0.130 26 HA VAL 4 HA VAL 4 1.715 7.987 0.649 27 HB VAL 4 HB VAL 4 4.150 7.663 1.094 28 HG11 VAL 4 HG11 VAL 4 3.720 6.011 3.055 29 HG12 VAL 4 HG12 VAL 4 2.877 7.561 3.021 30 HG13 VAL 4 HG13 VAL 4 2.043 6.091 2.517 31 HG21 VAL 4 HG21 VAL 4 3.772 5.322 -0.386 32 HG22 VAL 4 HG22 VAL 4 5.239 5.834 0.448 33 HG23 VAL 4 HG23 VAL 4 4.078 4.790 1.268 34 H ALA 5 H ALA 5 2.426 5.877 -1.977 35 HA ALA 5 HA ALA 5 4.319 7.254 -3.435 36 HB1 ALA 5 HB1 ALA 5 2.532 5.137 -3.903 37 HB2 ALA 5 HB2 ALA 5 2.296 6.289 -5.218 38 HB3 ALA 5 HB3 ALA 5 3.902 5.637 -4.896 39 H LYS 6 H LYS 6 0.957 8.024 -2.922 40 HA LYS 6 HA LYS 6 1.186 10.296 -4.777 41 HB2 LYS 6 HB2 LYS 6 -0.681 8.708 -5.185 42 HB3 LYS 6 HB3 LYS 6 -1.312 9.076 -3.586 43 HG2 LYS 6 HG2 LYS 6 -0.846 11.331 -5.461 44 HG3 LYS 6 HG3 LYS 6 -2.227 10.270 -5.747 45 HD2 LYS 6 HD2 LYS 6 -2.681 10.656 -3.203 46 HD3 LYS 6 HD3 LYS 6 -1.668 12.083 -3.437 47 HE2 LYS 6 HE2 LYS 6 -3.736 12.964 -3.879 48 HE3 LYS 6 HE3 LYS 6 -3.248 12.468 -5.499 49 HZ1 LYS 6 HZ1 LYS 6 -5.062 11.228 -5.590 50 HZ2 LYS 6 HZ2 LYS 6 -5.471 11.617 -3.995 51 HZ3 LYS 6 HZ3 LYS 6 -4.483 10.281 -4.313 52 H LEU 7 H LEU 7 0.440 9.368 -1.477 53 HA LEU 7 HA LEU 7 -0.422 11.907 -0.574 54 HB2 LEU 7 HB2 LEU 7 -0.405 9.435 0.492 55 HB3 LEU 7 HB3 LEU 7 0.974 10.139 1.334 56 HG LEU 7 HG LEU 7 -1.085 10.302 2.647 57 HD11 LEU 7 HD11 LEU 7 -0.342 12.209 3.511 58 HD12 LEU 7 HD12 LEU 7 -0.815 13.122 2.079 59 HD13 LEU 7 HD13 LEU 7 0.753 12.318 2.133 60 HD21 LEU 7 HD21 LEU 7 -2.158 12.248 0.639 61 HD22 LEU 7 HD22 LEU 7 -2.999 11.422 1.952 62 HD23 LEU 7 HD23 LEU 7 -2.514 10.526 0.512 63 H PHE 8 H PHE 8 2.669 10.240 0.068 64 HA PHE 8 HA PHE 8 3.995 12.438 1.151 65 HB2 PHE 8 HB2 PHE 8 4.869 9.871 -0.097 66 HB3 PHE 8 HB3 PHE 8 6.083 11.113 0.195 67 HD1 PHE 8 HD1 PHE 8 3.111 10.105 2.198 68 HD2 PHE 8 HD2 PHE 8 7.353 10.390 1.980 69 HE1 PHE 8 HE1 PHE 8 3.277 9.383 4.544 70 HE2 PHE 8 HE2 PHE 8 7.525 9.667 4.326 71 HZ PHE 8 HZ PHE 8 5.486 9.162 5.611 72 H LYS 9 H LYS 9 3.708 11.363 -2.196 73 HA LYS 9 HA LYS 9 5.558 13.157 -3.326 74 HB2 LYS 9 HB2 LYS 9 4.317 11.091 -4.349 75 HB3 LYS 9 HB3 LYS 9 3.103 12.279 -4.805 76 HG2 LYS 9 HG2 LYS 9 5.938 12.847 -5.482 77 HG3 LYS 9 HG3 LYS 9 5.078 11.622 -6.418 78 HD2 LYS 9 HD2 LYS 9 3.610 13.141 -7.313 79 HD3 LYS 9 HD3 LYS 9 3.746 14.243 -5.941 80 HE2 LYS 9 HE2 LYS 9 5.953 13.755 -7.935 81 HE3 LYS 9 HE3 LYS 9 4.785 15.069 -8.065 82 HZ1 LYS 9 HZ1 LYS 9 7.110 14.865 -6.415 83 HZ2 LYS 9 HZ2 LYS 9 5.735 15.269 -5.518 84 HZ3 LYS 9 HZ3 LYS 9 6.201 16.230 -6.829 85 H PHE 10 H PHE 10 2.201 13.502 -2.405 86 HA PHE 10 HA PHE 10 1.657 15.894 -3.802 87 HB2 PHE 10 HB2 PHE 10 0.038 14.250 -2.596 88 HB3 PHE 10 HB3 PHE 10 0.373 15.228 -1.171 89 HD1 PHE 10 HD1 PHE 10 -1.693 14.847 -3.987 90 HD2 PHE 10 HD2 PHE 10 0.068 17.804 -1.484 91 HE1 PHE 10 HE1 PHE 10 -3.401 16.466 -4.705 92 HE2 PHE 10 HE2 PHE 10 -1.637 19.428 -2.197 93 HZ PHE 10 HZ PHE 10 -3.375 18.760 -3.809 94 H PHE 11 H PHE 11 2.806 15.273 -0.506 95 HA PHE 11 HA PHE 11 2.921 18.024 0.227 96 HB2 PHE 11 HB2 PHE 11 3.826 15.450 1.422 97 HB3 PHE 11 HB3 PHE 11 4.569 16.932 2.014 98 HD1 PHE 11 HD1 PHE 11 3.412 18.388 3.462 99 HD2 PHE 11 HD2 PHE 11 1.360 15.159 1.598 100 HE1 PHE 11 HE1 PHE 11 1.479 18.770 4.936 101 HE2 PHE 11 HE2 PHE 11 -0.576 15.536 3.068 102 HZ PHE 11 HZ PHE 11 -0.519 17.344 4.739 103 H LYS 12 H LYS 12 5.365 15.656 -0.787 104 HA LYS 12 HA LYS 12 7.637 17.215 -0.561 105 HB2 LYS 12 HB2 LYS 12 7.342 14.728 -1.267 106 HB3 LYS 12 HB3 LYS 12 7.260 15.372 -2.902 107 HG2 LYS 12 HG2 LYS 12 9.530 16.167 -1.145 108 HG3 LYS 12 HG3 LYS 12 9.530 14.568 -1.892 109 HD2 LYS 12 HD2 LYS 12 8.930 15.975 -4.051 110 HD3 LYS 12 HD3 LYS 12 9.737 17.258 -3.146 111 HE2 LYS 12 HE2 LYS 12 10.908 14.552 -3.786 112 HE3 LYS 12 HE3 LYS 12 11.286 16.056 -4.623 113 HZ1 LYS 12 HZ1 LYS 12 12.173 15.108 -2.029 114 HZ2 LYS 12 HZ2 LYS 12 11.780 16.751 -2.103 115 HZ3 LYS 12 HZ3 LYS 12 12.956 16.115 -3.140 116 H ASP 13 H ASP 13 5.124 17.299 -2.979 117 HA ASP 13 HA ASP 13 6.523 18.817 -4.922 118 HB2 ASP 13 HB2 ASP 13 4.310 17.482 -5.149 119 HB3 ASP 13 HB3 ASP 13 3.543 18.950 -4.550 120 H LEU 14 H LEU 14 4.606 19.666 -2.104 121 HA LEU 14 HA LEU 14 4.477 22.458 -2.687 122 HB2 LEU 14 HB2 LEU 14 4.225 21.217 0.037 123 HB3 LEU 14 HB3 LEU 14 3.504 22.714 -0.551 124 HG LEU 14 HG LEU 14 2.722 19.922 -1.391 125 HD11 LEU 14 HD11 LEU 14 2.074 20.543 0.916 126 HD12 LEU 14 HD12 LEU 14 0.695 20.305 -0.157 127 HD13 LEU 14 HD13 LEU 14 1.212 21.937 0.265 128 HD21 LEU 14 HD21 LEU 14 2.046 22.620 -2.404 129 HD22 LEU 14 HD22 LEU 14 0.721 21.467 -2.245 130 HD23 LEU 14 HD23 LEU 14 2.117 21.074 -3.249 131 H LEU 15 H LEU 15 6.600 20.413 -0.748 132 HA LEU 15 HA LEU 15 8.086 22.577 0.371 133 HB2 LEU 15 HB2 LEU 15 8.971 19.717 0.065 134 HB3 LEU 15 HB3 LEU 15 9.573 20.906 1.217 135 HG LEU 15 HG LEU 15 6.768 19.801 1.240 136 HD11 LEU 15 HD11 LEU 15 8.373 18.019 1.665 137 HD12 LEU 15 HD12 LEU 15 7.499 18.445 3.136 138 HD13 LEU 15 HD13 LEU 15 9.155 19.004 2.902 139 HD21 LEU 15 HD21 LEU 15 8.206 21.862 2.747 140 HD22 LEU 15 HD22 LEU 15 7.360 20.682 3.749 141 HD23 LEU 15 HD23 LEU 15 6.473 21.607 2.536 142 H GLY 16 H GLY 16 8.282 20.701 -2.556 143 HA2 GLY 16 HA2 GLY 16 10.961 21.638 -3.181 144 HA3 GLY 16 HA3 GLY 16 9.960 20.595 -4.179 145 H LYS 17 H LYS 17 7.700 22.588 -3.808 146 HA LYS 17 HA LYS 17 8.469 24.278 -6.056 147 HB2 LYS 17 HB2 LYS 17 6.362 23.055 -6.219 148 HB3 LYS 17 HB3 LYS 17 5.785 23.814 -4.742 149 HG2 LYS 17 HG2 LYS 17 4.744 24.956 -6.512 150 HG3 LYS 17 HG3 LYS 17 6.022 26.027 -5.932 151 HD2 LYS 17 HD2 LYS 17 6.304 26.143 -8.223 152 HD3 LYS 17 HD3 LYS 17 7.451 24.876 -7.781 153 HE2 LYS 17 HE2 LYS 17 4.657 24.114 -8.486 154 HE3 LYS 17 HE3 LYS 17 5.770 24.556 -9.780 155 HZ1 LYS 17 HZ1 LYS 17 7.113 22.807 -8.080 156 HZ2 LYS 17 HZ2 LYS 17 6.610 22.527 -9.670 157 HZ3 LYS 17 HZ3 LYS 17 5.593 22.127 -8.379 158 H PHE 18 H PHE 18 7.573 24.511 -2.681 159 HA PHE 18 HA PHE 18 7.379 27.391 -2.730 160 HB2 PHE 18 HB2 PHE 18 5.988 26.089 -1.184 161 HB3 PHE 18 HB3 PHE 18 7.435 25.463 -0.399 162 HD1 PHE 18 HD1 PHE 18 5.166 28.272 -0.714 163 HD2 PHE 18 HD2 PHE 18 8.845 26.942 0.964 164 HE1 PHE 18 HE1 PHE 18 5.153 30.190 0.827 165 HE2 PHE 18 HE2 PHE 18 8.836 28.857 2.509 166 HZ PHE 18 HZ PHE 18 6.989 30.484 2.442 167 H LEU 19 H LEU 19 9.543 25.065 -1.107 168 HA LEU 19 HA LEU 19 11.428 27.066 -0.359 169 HB2 LEU 19 HB2 LEU 19 11.932 24.108 -0.562 170 HB3 LEU 19 HB3 LEU 19 12.776 25.279 0.449 171 HG LEU 19 HG LEU 19 9.858 24.737 0.863 172 HD11 LEU 19 HD11 LEU 19 11.635 23.263 2.629 173 HD12 LEU 19 HD12 LEU 19 11.718 22.711 0.956 174 HD13 LEU 19 HD13 LEU 19 10.169 22.739 1.799 175 HD21 LEU 19 HD21 LEU 19 11.858 25.299 2.995 176 HD22 LEU 19 HD22 LEU 19 10.155 25.747 2.896 177 HD23 LEU 19 HD23 LEU 19 11.354 26.617 1.937 178 H GLY 20 H GLY 20 11.185 24.765 -3.022 179 HA2 GLY 20 HA2 GLY 20 13.724 24.948 -4.104 180 HA3 GLY 20 HA3 GLY 20 12.264 24.697 -5.049 181 H ASN 21 H ASN 21 11.087 27.256 -4.300 182 HA ASN 21 HA ASN 21 12.407 28.870 -6.292 183 HB2 ASN 21 HB2 ASN 21 9.893 28.666 -6.018 184 HB3 ASN 21 HB3 ASN 21 10.053 29.662 -4.575 185 HD21 ASN 21 HD21 ASN 21 10.330 29.572 -8.044 186 HD22 ASN 21 HD22 ASN 21 10.331 31.282 -8.287 187 H ASN 22 H ASN 22 13.220 30.980 -5.975 188 HA ASN 22 HA ASN 22 14.578 31.315 -3.452 189 HB2 ASN 22 HB2 ASN 22 15.703 31.780 -5.613 190 HB3 ASN 22 HB3 ASN 22 14.579 33.106 -5.892 191 HD21 ASN 22 HD21 ASN 22 14.949 35.039 -4.967 192 HD22 ASN 22 HD22 ASN 22 16.293 35.386 -3.939 Start of MODEL 7 1 HA FME 1 HA FME 1 1.807 0.773 -1.379 2 HB2 FME 1 HB2 FME 1 4.182 1.579 -1.168 3 HB3 FME 1 HB3 FME 1 4.638 0.354 -2.403 4 HG2 FME 1 HG2 FME 1 5.119 -0.703 -0.305 5 HG3 FME 1 HG3 FME 1 3.556 -1.437 -0.815 6 HE1 FME 1 HE2 FME 1 3.728 -0.808 3.234 7 HE2 FME 1 HE3 FME 1 5.240 -0.598 2.246 8 HE3 FME 1 HE8 FME 1 4.110 -1.969 1.898 9 HF FME 1 HF FME 1 2.780 -1.828 -4.579 10 H GLU 2 H GLU 2 0.291 1.779 -2.659 11 HA GLU 2 HA GLU 2 1.461 3.987 -4.222 12 HB2 GLU 2 HB2 GLU 2 -1.126 2.493 -4.595 13 HB3 GLU 2 HB3 GLU 2 -0.871 4.088 -5.289 14 HG2 GLU 2 HG2 GLU 2 0.863 3.319 -6.682 15 HG3 GLU 2 HG3 GLU 2 0.998 1.797 -5.802 16 H PHE 3 H PHE 3 1.023 3.862 -1.343 17 HA PHE 3 HA PHE 3 -1.248 5.627 -0.887 18 HB2 PHE 3 HB2 PHE 3 -0.934 3.859 0.730 19 HB3 PHE 3 HB3 PHE 3 0.734 4.353 1.007 20 HD1 PHE 3 HD1 PHE 3 -2.564 6.105 0.952 21 HD2 PHE 3 HD2 PHE 3 1.038 5.292 3.069 22 HE1 PHE 3 HE1 PHE 3 -3.310 7.576 2.778 23 HE2 PHE 3 HE2 PHE 3 0.298 6.761 4.899 24 HZ PHE 3 HZ PHE 3 -1.879 7.905 4.755 25 H VAL 4 H VAL 4 2.280 5.666 -0.663 26 HA VAL 4 HA VAL 4 2.331 8.433 0.179 27 HB VAL 4 HB VAL 4 4.806 8.197 -0.039 28 HG11 VAL 4 HG11 VAL 4 4.932 6.320 1.755 29 HG12 VAL 4 HG12 VAL 4 4.065 7.813 2.118 30 HG13 VAL 4 HG13 VAL 4 3.172 6.361 1.664 31 HG21 VAL 4 HG21 VAL 4 4.247 5.290 -0.591 32 HG22 VAL 4 HG22 VAL 4 4.663 6.454 -1.850 33 HG23 VAL 4 HG23 VAL 4 5.811 6.105 -0.557 34 H ALA 5 H ALA 5 2.406 6.667 -2.775 35 HA ALA 5 HA ALA 5 3.831 8.297 -4.483 36 HB1 ALA 5 HB1 ALA 5 3.100 6.831 -5.977 37 HB2 ALA 5 HB2 ALA 5 2.038 6.150 -4.743 38 HB3 ALA 5 HB3 ALA 5 1.448 7.425 -5.809 39 H LYS 6 H LYS 6 0.690 8.819 -3.060 40 HA LYS 6 HA LYS 6 0.383 11.292 -4.626 41 HB2 LYS 6 HB2 LYS 6 -1.686 9.772 -3.027 42 HB3 LYS 6 HB3 LYS 6 -1.984 11.225 -3.972 43 HG2 LYS 6 HG2 LYS 6 -1.043 8.593 -5.093 44 HG3 LYS 6 HG3 LYS 6 -2.708 9.179 -5.119 45 HD2 LYS 6 HD2 LYS 6 -2.100 11.028 -6.521 46 HD3 LYS 6 HD3 LYS 6 -0.384 10.647 -6.360 47 HE2 LYS 6 HE2 LYS 6 -0.861 9.732 -8.418 48 HE3 LYS 6 HE3 LYS 6 -1.098 8.343 -7.359 49 HZ1 LYS 6 HZ1 LYS 6 -3.511 9.753 -7.527 50 HZ2 LYS 6 HZ2 LYS 6 -3.170 8.191 -8.077 51 HZ3 LYS 6 HZ3 LYS 6 -2.939 9.517 -9.101 52 H LEU 7 H LEU 7 0.523 9.966 -1.380 53 HA LEU 7 HA LEU 7 -0.147 12.338 0.007 54 HB2 LEU 7 HB2 LEU 7 0.203 9.769 0.730 55 HB3 LEU 7 HB3 LEU 7 1.732 10.451 1.281 56 HG LEU 7 HG LEU 7 0.071 10.355 3.075 57 HD11 LEU 7 HD11 LEU 7 0.958 12.194 3.950 58 HD12 LEU 7 HD12 LEU 7 0.117 13.232 2.799 59 HD13 LEU 7 HD13 LEU 7 1.668 12.512 2.367 60 HD21 LEU 7 HD21 LEU 7 -1.994 11.384 3.009 61 HD22 LEU 7 HD22 LEU 7 -1.845 10.765 1.365 62 HD23 LEU 7 HD23 LEU 7 -1.531 12.469 1.698 63 H PHE 8 H PHE 8 3.048 10.784 -0.346 64 HA PHE 8 HA PHE 8 4.547 12.920 0.629 65 HB2 PHE 8 HB2 PHE 8 5.143 10.556 -1.094 66 HB3 PHE 8 HB3 PHE 8 6.359 11.823 -0.966 67 HD1 PHE 8 HD1 PHE 8 4.018 10.432 1.572 68 HD2 PHE 8 HD2 PHE 8 8.057 10.991 0.352 69 HE1 PHE 8 HE1 PHE 8 4.791 9.469 3.701 70 HE2 PHE 8 HE2 PHE 8 8.836 10.028 2.478 71 HZ PHE 8 HZ PHE 8 7.203 9.265 4.155 72 H LYS 9 H LYS 9 3.522 12.170 -2.670 73 HA LYS 9 HA LYS 9 4.956 14.196 -3.982 74 HB2 LYS 9 HB2 LYS 9 3.562 12.169 -4.904 75 HB3 LYS 9 HB3 LYS 9 2.252 13.341 -4.942 76 HG2 LYS 9 HG2 LYS 9 3.287 14.641 -6.556 77 HG3 LYS 9 HG3 LYS 9 4.884 13.970 -6.214 78 HD2 LYS 9 HD2 LYS 9 3.958 11.754 -7.056 79 HD3 LYS 9 HD3 LYS 9 2.589 12.682 -7.672 80 HE2 LYS 9 HE2 LYS 9 5.421 13.418 -8.340 81 HE3 LYS 9 HE3 LYS 9 4.541 12.204 -9.267 82 HZ1 LYS 9 HZ1 LYS 9 4.502 14.838 -9.780 83 HZ2 LYS 9 HZ2 LYS 9 3.100 14.671 -8.850 84 HZ3 LYS 9 HZ3 LYS 9 3.294 13.755 -10.259 85 H PHE 10 H PHE 10 2.016 14.261 -2.134 86 HA PHE 10 HA PHE 10 0.962 16.695 -3.107 87 HB2 PHE 10 HB2 PHE 10 -0.138 14.871 -1.610 88 HB3 PHE 10 HB3 PHE 10 0.570 15.776 -0.276 89 HD1 PHE 10 HD1 PHE 10 -1.897 15.840 -2.982 90 HD2 PHE 10 HD2 PHE 10 -0.270 17.937 0.345 91 HE1 PHE 10 HE1 PHE 10 -3.813 17.384 -3.023 92 HE2 PHE 10 HE2 PHE 10 -2.183 19.484 0.310 93 HZ PHE 10 HZ PHE 10 -3.958 19.208 -1.375 94 H PHE 11 H PHE 11 2.489 16.124 0.065 95 HA PHE 11 HA PHE 11 2.899 18.798 0.703 96 HB2 PHE 11 HB2 PHE 11 4.156 16.235 1.597 97 HB3 PHE 11 HB3 PHE 11 4.862 17.761 2.120 98 HD1 PHE 11 HD1 PHE 11 3.683 19.224 3.638 99 HD2 PHE 11 HD2 PHE 11 1.972 15.541 2.364 100 HE1 PHE 11 HE1 PHE 11 2.017 19.377 5.442 101 HE2 PHE 11 HE2 PHE 11 0.303 15.689 4.165 102 HZ PHE 11 HZ PHE 11 0.324 17.609 5.707 103 H LYS 12 H LYS 12 5.107 16.505 -0.868 104 HA LYS 12 HA LYS 12 7.355 18.100 -1.082 105 HB2 LYS 12 HB2 LYS 12 7.280 15.713 -1.698 106 HB3 LYS 12 HB3 LYS 12 6.326 16.116 -3.120 107 HG2 LYS 12 HG2 LYS 12 8.567 15.796 -3.827 108 HG3 LYS 12 HG3 LYS 12 8.233 17.528 -3.901 109 HD2 LYS 12 HD2 LYS 12 9.272 17.678 -1.589 110 HD3 LYS 12 HD3 LYS 12 9.838 16.026 -1.845 111 HE2 LYS 12 HE2 LYS 12 10.995 16.774 -3.892 112 HE3 LYS 12 HE3 LYS 12 10.476 18.425 -3.559 113 HZ1 LYS 12 HZ1 LYS 12 12.804 17.693 -2.819 114 HZ2 LYS 12 HZ2 LYS 12 12.009 16.902 -1.553 115 HZ3 LYS 12 HZ3 LYS 12 11.860 18.578 -1.729 116 H ASP 13 H ASP 13 4.384 18.205 -2.906 117 HA ASP 13 HA ASP 13 5.332 19.815 -5.045 118 HB2 ASP 13 HB2 ASP 13 3.194 18.423 -4.982 119 HB3 ASP 13 HB3 ASP 13 2.489 19.735 -4.042 120 H LEU 14 H LEU 14 3.798 20.538 -1.943 121 HA LEU 14 HA LEU 14 3.604 23.343 -2.396 122 HB2 LEU 14 HB2 LEU 14 3.715 22.001 0.290 123 HB3 LEU 14 HB3 LEU 14 2.924 23.516 -0.140 124 HG LEU 14 HG LEU 14 2.023 20.825 -1.154 125 HD11 LEU 14 HD11 LEU 14 1.925 21.039 1.346 126 HD12 LEU 14 HD12 LEU 14 0.373 20.778 0.550 127 HD13 LEU 14 HD13 LEU 14 0.814 22.390 1.115 128 HD21 LEU 14 HD21 LEU 14 1.306 22.672 -2.528 129 HD22 LEU 14 HD22 LEU 14 0.741 23.555 -1.110 130 HD23 LEU 14 HD23 LEU 14 -0.068 22.067 -1.603 131 H LEU 15 H LEU 15 5.976 21.252 -0.833 132 HA LEU 15 HA LEU 15 7.585 23.391 0.161 133 HB2 LEU 15 HB2 LEU 15 8.313 20.507 -0.332 134 HB3 LEU 15 HB3 LEU 15 9.237 21.659 0.630 135 HG LEU 15 HG LEU 15 6.457 20.699 1.304 136 HD11 LEU 15 HD11 LEU 15 7.986 18.854 1.482 137 HD12 LEU 15 HD12 LEU 15 7.598 19.434 3.101 138 HD13 LEU 15 HD13 LEU 15 9.146 19.847 2.365 139 HD21 LEU 15 HD21 LEU 15 8.304 22.700 2.446 140 HD22 LEU 15 HD22 LEU 15 7.496 21.635 3.596 141 HD23 LEU 15 HD23 LEU 15 6.542 22.622 2.488 142 H GLY 16 H GLY 16 7.695 21.312 -2.703 143 HA2 GLY 16 HA2 GLY 16 10.173 22.183 -3.704 144 HA3 GLY 16 HA3 GLY 16 8.876 21.486 -4.662 145 H LYS 17 H LYS 17 7.062 23.703 -3.706 146 HA LYS 17 HA LYS 17 7.870 25.624 -5.752 147 HB2 LYS 17 HB2 LYS 17 5.508 24.524 -5.474 148 HB3 LYS 17 HB3 LYS 17 5.279 25.767 -4.252 149 HG2 LYS 17 HG2 LYS 17 6.273 26.602 -6.922 150 HG3 LYS 17 HG3 LYS 17 4.577 26.138 -6.765 151 HD2 LYS 17 HD2 LYS 17 5.848 28.099 -4.880 152 HD3 LYS 17 HD3 LYS 17 5.190 28.611 -6.436 153 HE2 LYS 17 HE2 LYS 17 3.652 27.120 -4.312 154 HE3 LYS 17 HE3 LYS 17 3.588 28.863 -4.566 155 HZ1 LYS 17 HZ1 LYS 17 3.102 27.695 -7.026 156 HZ2 LYS 17 HZ2 LYS 17 1.991 28.499 -6.036 157 HZ3 LYS 17 HZ3 LYS 17 2.173 26.821 -5.914 158 H PHE 18 H PHE 18 6.809 25.590 -2.358 159 HA PHE 18 HA PHE 18 7.127 28.341 -1.888 160 HB2 PHE 18 HB2 PHE 18 6.937 25.909 -0.170 161 HB3 PHE 18 HB3 PHE 18 7.492 27.406 0.571 162 HD1 PHE 18 HD1 PHE 18 4.843 26.524 -1.910 163 HD2 PHE 18 HD2 PHE 18 5.837 28.453 1.752 164 HE1 PHE 18 HE1 PHE 18 2.509 27.263 -1.670 165 HE2 PHE 18 HE2 PHE 18 3.504 29.195 1.998 166 HZ PHE 18 HZ PHE 18 1.836 28.599 0.287 167 H LEU 19 H LEU 19 9.348 25.619 -1.415 168 HA LEU 19 HA LEU 19 11.475 27.394 -0.552 169 HB2 LEU 19 HB2 LEU 19 11.449 24.421 -1.050 170 HB3 LEU 19 HB3 LEU 19 12.804 25.325 -0.377 171 HG LEU 19 HG LEU 19 10.129 25.306 0.980 172 HD11 LEU 19 HD11 LEU 19 11.804 23.498 2.302 173 HD12 LEU 19 HD12 LEU 19 11.863 23.050 0.598 174 HD13 LEU 19 HD13 LEU 19 10.312 23.144 1.432 175 HD21 LEU 19 HD21 LEU 19 11.663 26.960 1.776 176 HD22 LEU 19 HD22 LEU 19 12.969 25.778 1.872 177 HD23 LEU 19 HD23 LEU 19 11.591 25.663 2.968 178 H GLY 20 H GLY 20 10.853 25.182 -3.272 179 HA2 GLY 20 HA2 GLY 20 11.377 25.908 -5.524 180 HA3 GLY 20 HA3 GLY 20 12.745 26.792 -4.863 181 H ASN 21 H ASN 21 11.763 23.466 -4.159 182 HA ASN 21 HA ASN 21 12.875 21.490 -4.333 183 HB2 ASN 21 HB2 ASN 21 13.967 22.838 -6.812 184 HB3 ASN 21 HB3 ASN 21 14.176 21.130 -6.437 185 HD21 ASN 21 HD21 ASN 21 11.825 23.627 -7.162 186 HD22 ASN 21 HD22 ASN 21 10.594 22.563 -7.744 187 H ASN 22 H ASN 22 13.999 23.241 -2.542 188 HA ASN 22 HA ASN 22 16.769 23.674 -2.918 189 HB2 ASN 22 HB2 ASN 22 15.060 23.538 -0.431 190 HB3 ASN 22 HB3 ASN 22 16.775 23.937 -0.396 191 HD21 ASN 22 HD21 ASN 22 16.220 25.965 0.492 192 HD22 ASN 22 HD22 ASN 22 15.616 27.238 -0.508 Start of MODEL 8 1 HA FME 1 HA FME 1 5.205 3.763 -5.152 2 HB2 FME 1 HB2 FME 1 5.131 3.310 -2.127 3 HB3 FME 1 HB3 FME 1 6.583 3.724 -3.104 4 HG2 FME 1 HG2 FME 1 5.825 1.593 -4.581 5 HG3 FME 1 HG3 FME 1 4.971 1.117 -3.070 6 HE1 FME 1 HE2 FME 1 8.359 1.232 -4.985 7 HE2 FME 1 HE3 FME 1 9.547 1.770 -3.718 8 HE3 FME 1 HE8 FME 1 8.230 2.887 -4.261 9 HF FME 1 HF FME 1 5.741 7.250 -4.472 10 H GLU 2 H GLU 2 2.989 3.628 -2.386 11 HA GLU 2 HA GLU 2 0.913 2.766 -4.289 12 HB2 GLU 2 HB2 GLU 2 1.942 0.929 -2.830 13 HB3 GLU 2 HB3 GLU 2 1.132 1.708 -1.479 14 HG2 GLU 2 HG2 GLU 2 -0.142 -0.180 -2.378 15 HG3 GLU 2 HG3 GLU 2 -1.019 1.344 -2.500 16 H PHE 3 H PHE 3 1.432 3.952 -0.970 17 HA PHE 3 HA PHE 3 -1.116 5.409 -1.178 18 HB2 PHE 3 HB2 PHE 3 -1.156 3.887 0.675 19 HB3 PHE 3 HB3 PHE 3 0.420 4.436 1.233 20 HD1 PHE 3 HD1 PHE 3 0.200 5.478 3.264 21 HD2 PHE 3 HD2 PHE 3 -2.686 6.242 0.231 22 HE1 PHE 3 HE1 PHE 3 -0.892 7.129 4.725 23 HE2 PHE 3 HE2 PHE 3 -3.783 7.895 1.686 24 HZ PHE 3 HZ PHE 3 -2.886 8.341 3.936 25 H VAL 4 H VAL 4 2.304 5.708 -0.612 26 HA VAL 4 HA VAL 4 2.143 8.481 0.199 27 HB VAL 4 HB VAL 4 4.635 8.403 0.082 28 HG11 VAL 4 HG11 VAL 4 4.815 6.567 1.906 29 HG12 VAL 4 HG12 VAL 4 3.819 7.992 2.211 30 HG13 VAL 4 HG13 VAL 4 3.062 6.470 1.738 31 HG21 VAL 4 HG21 VAL 4 4.940 5.565 -0.019 32 HG22 VAL 4 HG22 VAL 4 4.127 6.113 -1.485 33 HG23 VAL 4 HG23 VAL 4 5.689 6.798 -1.035 34 H ALA 5 H ALA 5 2.456 6.695 -2.729 35 HA ALA 5 HA ALA 5 3.839 8.402 -4.397 36 HB1 ALA 5 HB1 ALA 5 2.204 6.138 -4.703 37 HB2 ALA 5 HB2 ALA 5 1.575 7.361 -5.808 38 HB3 ALA 5 HB3 ALA 5 3.268 6.875 -5.901 39 H LYS 6 H LYS 6 0.614 8.726 -3.111 40 HA LYS 6 HA LYS 6 0.209 11.158 -4.717 41 HB2 LYS 6 HB2 LYS 6 -1.726 9.307 -3.335 42 HB3 LYS 6 HB3 LYS 6 -2.201 10.908 -3.887 43 HG2 LYS 6 HG2 LYS 6 -1.474 10.257 -6.179 44 HG3 LYS 6 HG3 LYS 6 -1.212 8.620 -5.573 45 HD2 LYS 6 HD2 LYS 6 -3.348 8.392 -6.343 46 HD3 LYS 6 HD3 LYS 6 -3.694 8.943 -4.702 47 HE2 LYS 6 HE2 LYS 6 -3.381 10.901 -6.948 48 HE3 LYS 6 HE3 LYS 6 -4.911 10.066 -6.689 49 HZ1 LYS 6 HZ1 LYS 6 -4.576 10.898 -4.264 50 HZ2 LYS 6 HZ2 LYS 6 -5.196 11.945 -5.439 51 HZ3 LYS 6 HZ3 LYS 6 -3.569 12.049 -4.989 52 H LEU 7 H LEU 7 0.263 9.871 -1.448 53 HA LEU 7 HA LEU 7 -0.605 12.210 -0.122 54 HB2 LEU 7 HB2 LEU 7 -0.144 9.680 0.651 55 HB3 LEU 7 HB3 LEU 7 1.328 10.444 1.248 56 HG LEU 7 HG LEU 7 -0.390 10.282 2.982 57 HD11 LEU 7 HD11 LEU 7 0.366 12.174 3.868 58 HD12 LEU 7 HD12 LEU 7 -0.478 13.155 2.670 59 HD13 LEU 7 HD13 LEU 7 1.122 12.508 2.309 60 HD21 LEU 7 HD21 LEU 7 -2.089 12.359 1.775 61 HD22 LEU 7 HD22 LEU 7 -2.526 10.956 2.751 62 HD23 LEU 7 HD23 LEU 7 -2.193 10.764 1.029 63 H PHE 8 H PHE 8 2.693 10.855 -0.310 64 HA PHE 8 HA PHE 8 3.999 13.110 0.695 65 HB2 PHE 8 HB2 PHE 8 4.836 10.730 -0.898 66 HB3 PHE 8 HB3 PHE 8 5.962 12.077 -0.766 67 HD1 PHE 8 HD1 PHE 8 3.606 10.476 1.644 68 HD2 PHE 8 HD2 PHE 8 7.617 11.575 0.737 69 HE1 PHE 8 HE1 PHE 8 4.327 9.652 3.848 70 HE2 PHE 8 HE2 PHE 8 8.344 10.752 2.939 71 HZ PHE 8 HZ PHE 8 6.699 9.787 4.497 72 H LYS 9 H LYS 9 3.298 12.166 -2.648 73 HA LYS 9 HA LYS 9 4.659 14.214 -3.958 74 HB2 LYS 9 HB2 LYS 9 2.355 12.450 -4.630 75 HB3 LYS 9 HB3 LYS 9 2.638 13.849 -5.658 76 HG2 LYS 9 HG2 LYS 9 4.723 11.774 -5.025 77 HG3 LYS 9 HG3 LYS 9 3.699 11.751 -6.462 78 HD2 LYS 9 HD2 LYS 9 4.600 14.189 -6.776 79 HD3 LYS 9 HD3 LYS 9 5.904 13.627 -5.727 80 HE2 LYS 9 HE2 LYS 9 6.522 11.927 -7.254 81 HE3 LYS 9 HE3 LYS 9 5.046 12.136 -8.195 82 HZ1 LYS 9 HZ1 LYS 9 6.007 14.542 -8.471 83 HZ2 LYS 9 HZ2 LYS 9 6.520 13.281 -9.475 84 HZ3 LYS 9 HZ3 LYS 9 7.479 13.765 -8.169 85 H PHE 10 H PHE 10 1.564 14.211 -2.336 86 HA PHE 10 HA PHE 10 0.531 16.603 -3.405 87 HB2 PHE 10 HB2 PHE 10 -0.676 14.818 -2.009 88 HB3 PHE 10 HB3 PHE 10 -0.005 15.637 -0.603 89 HD1 PHE 10 HD1 PHE 10 -2.526 15.700 -3.185 90 HD2 PHE 10 HD2 PHE 10 -0.648 17.983 -0.124 91 HE1 PHE 10 HE1 PHE 10 -4.403 17.291 -3.225 92 HE2 PHE 10 HE2 PHE 10 -2.521 19.577 -0.158 93 HZ PHE 10 HZ PHE 10 -4.403 19.232 -1.710 94 H PHE 11 H PHE 11 2.194 16.020 -0.305 95 HA PHE 11 HA PHE 11 2.369 18.744 0.410 96 HB2 PHE 11 HB2 PHE 11 3.673 16.221 1.338 97 HB3 PHE 11 HB3 PHE 11 4.355 17.759 1.856 98 HD1 PHE 11 HD1 PHE 11 2.970 19.337 3.176 99 HD2 PHE 11 HD2 PHE 11 1.662 15.391 2.259 100 HE1 PHE 11 HE1 PHE 11 1.282 19.485 4.961 101 HE2 PHE 11 HE2 PHE 11 -0.027 15.533 4.042 102 HZ PHE 11 HZ PHE 11 -0.220 17.582 5.395 103 H LYS 12 H LYS 12 4.513 16.602 -1.377 104 HA LYS 12 HA LYS 12 6.811 18.166 -1.444 105 HB2 LYS 12 HB2 LYS 12 6.528 15.802 -2.300 106 HB3 LYS 12 HB3 LYS 12 5.801 16.492 -3.745 107 HG2 LYS 12 HG2 LYS 12 8.056 16.065 -4.272 108 HG3 LYS 12 HG3 LYS 12 7.926 17.811 -4.045 109 HD2 LYS 12 HD2 LYS 12 8.693 17.431 -1.666 110 HD3 LYS 12 HD3 LYS 12 9.069 15.774 -2.144 111 HE2 LYS 12 HE2 LYS 12 10.413 16.899 -4.055 112 HE3 LYS 12 HE3 LYS 12 10.330 18.338 -3.040 113 HZ1 LYS 12 HZ1 LYS 12 12.137 17.514 -2.061 114 HZ2 LYS 12 HZ2 LYS 12 11.930 15.975 -2.731 115 HZ3 LYS 12 HZ3 LYS 12 11.108 16.397 -1.314 116 H ASP 13 H ASP 13 3.794 18.544 -3.114 117 HA ASP 13 HA ASP 13 4.754 20.320 -5.136 118 HB2 ASP 13 HB2 ASP 13 2.621 18.940 -5.231 119 HB3 ASP 13 HB3 ASP 13 1.915 20.121 -4.130 120 H LEU 14 H LEU 14 3.690 20.669 -1.851 121 HA LEU 14 HA LEU 14 3.461 23.563 -2.083 122 HB2 LEU 14 HB2 LEU 14 3.263 21.971 0.453 123 HB3 LEU 14 HB3 LEU 14 2.576 23.554 0.094 124 HG LEU 14 HG LEU 14 1.652 21.004 -1.220 125 HD11 LEU 14 HD11 LEU 14 1.246 20.795 1.145 126 HD12 LEU 14 HD12 LEU 14 -0.274 21.138 0.320 127 HD13 LEU 14 HD13 LEU 14 0.556 22.417 1.206 128 HD21 LEU 14 HD21 LEU 14 0.728 22.534 -2.579 129 HD22 LEU 14 HD22 LEU 14 0.971 23.851 -1.431 130 HD23 LEU 14 HD23 LEU 14 -0.412 22.770 -1.254 131 H LEU 15 H LEU 15 5.674 21.136 -0.949 132 HA LEU 15 HA LEU 15 7.311 23.013 0.522 133 HB2 LEU 15 HB2 LEU 15 7.873 20.157 -0.261 134 HB3 LEU 15 HB3 LEU 15 8.789 21.118 0.898 135 HG LEU 15 HG LEU 15 5.894 20.372 1.275 136 HD11 LEU 15 HD11 LEU 15 7.488 18.409 1.136 137 HD12 LEU 15 HD12 LEU 15 6.555 18.560 2.624 138 HD13 LEU 15 HD13 LEU 15 8.248 19.050 2.593 139 HD21 LEU 15 HD21 LEU 15 7.955 21.805 2.869 140 HD22 LEU 15 HD22 LEU 15 6.791 20.791 3.722 141 HD23 LEU 15 HD23 LEU 15 6.227 22.120 2.708 142 H GLY 16 H GLY 16 7.510 21.202 -2.523 143 HA2 GLY 16 HA2 GLY 16 10.088 22.168 -3.237 144 HA3 GLY 16 HA3 GLY 16 8.932 21.407 -4.319 145 H LYS 17 H LYS 17 6.952 23.561 -3.397 146 HA LYS 17 HA LYS 17 7.756 25.505 -5.422 147 HB2 LYS 17 HB2 LYS 17 5.469 24.405 -5.402 148 HB3 LYS 17 HB3 LYS 17 5.116 25.359 -3.967 149 HG2 LYS 17 HG2 LYS 17 5.694 27.398 -5.368 150 HG3 LYS 17 HG3 LYS 17 5.628 26.320 -6.763 151 HD2 LYS 17 HD2 LYS 17 3.352 26.379 -4.827 152 HD3 LYS 17 HD3 LYS 17 3.505 27.656 -6.036 153 HE2 LYS 17 HE2 LYS 17 2.185 26.131 -7.146 154 HE3 LYS 17 HE3 LYS 17 3.794 25.662 -7.693 155 HZ1 LYS 17 HZ1 LYS 17 3.349 23.641 -6.943 156 HZ2 LYS 17 HZ2 LYS 17 1.893 24.144 -6.245 157 HZ3 LYS 17 HZ3 LYS 17 3.333 24.251 -5.365 158 H PHE 18 H PHE 18 6.948 25.302 -2.002 159 HA PHE 18 HA PHE 18 7.137 28.137 -1.575 160 HB2 PHE 18 HB2 PHE 18 5.690 26.753 -0.161 161 HB3 PHE 18 HB3 PHE 18 7.092 25.850 0.406 162 HD1 PHE 18 HD1 PHE 18 6.488 29.502 -0.032 163 HD2 PHE 18 HD2 PHE 18 7.408 26.314 2.634 164 HE1 PHE 18 HE1 PHE 18 6.786 31.122 1.796 165 HE2 PHE 18 HE2 PHE 18 7.706 27.929 4.466 166 HZ PHE 18 HZ PHE 18 7.395 30.336 4.049 167 H LEU 19 H LEU 19 9.188 25.326 -0.881 168 HA LEU 19 HA LEU 19 11.313 26.998 0.149 169 HB2 LEU 19 HB2 LEU 19 11.334 24.048 -0.468 170 HB3 LEU 19 HB3 LEU 19 12.520 24.931 0.492 171 HG LEU 19 HG LEU 19 9.661 24.873 1.364 172 HD11 LEU 19 HD11 LEU 19 11.220 22.826 2.648 173 HD12 LEU 19 HD12 LEU 19 11.120 22.533 0.912 174 HD13 LEU 19 HD13 LEU 19 9.645 22.712 1.861 175 HD21 LEU 19 HD21 LEU 19 10.725 25.013 3.580 176 HD22 LEU 19 HD22 LEU 19 11.191 26.348 2.526 177 HD23 LEU 19 HD23 LEU 19 12.309 25.012 2.804 178 H GLY 20 H GLY 20 10.945 24.751 -2.600 179 HA2 GLY 20 HA2 GLY 20 11.871 24.807 -4.705 180 HA3 GLY 20 HA3 GLY 20 12.305 26.482 -4.398 181 H ASN 21 H ASN 21 13.289 23.162 -3.592 182 HA ASN 21 HA ASN 21 16.077 24.115 -3.514 183 HB2 ASN 21 HB2 ASN 21 16.480 22.014 -2.135 184 HB3 ASN 21 HB3 ASN 21 15.547 23.286 -1.353 185 HD21 ASN 21 HD21 ASN 21 14.281 22.179 -0.006 186 HD22 ASN 21 HD22 ASN 21 13.180 20.934 -0.477 187 H ASN 22 H ASN 22 14.900 23.545 -5.959 188 HA ASN 22 HA ASN 22 15.560 20.844 -6.735 189 HB2 ASN 22 HB2 ASN 22 14.977 21.694 -9.043 190 HB3 ASN 22 HB3 ASN 22 13.687 21.821 -7.850 191 HD21 ASN 22 HD21 ASN 22 12.643 23.663 -7.850 192 HD22 ASN 22 HD22 ASN 22 13.266 25.193 -8.359 Start of MODEL 9 1 HA FME 1 HA FME 1 0.748 -0.526 -1.244 2 HB2 FME 1 HB2 FME 1 2.337 1.078 -0.227 3 HB3 FME 1 HB3 FME 1 3.550 0.633 -1.479 4 HG2 FME 1 HG2 FME 1 4.230 -0.729 0.318 5 HG3 FME 1 HG3 FME 1 3.171 -1.872 -0.584 6 HE1 FME 1 HE2 FME 1 2.918 -3.059 2.584 7 HE2 FME 1 HE3 FME 1 3.256 -1.549 3.538 8 HE3 FME 1 HE8 FME 1 4.259 -1.949 2.086 9 HF FME 1 HF FME 1 1.397 -2.377 -4.468 10 H GLU 2 H GLU 2 2.713 1.803 -3.023 11 HA GLU 2 HA GLU 2 2.124 3.705 -4.122 12 HB2 GLU 2 HB2 GLU 2 -0.449 2.288 -4.810 13 HB3 GLU 2 HB3 GLU 2 0.351 3.565 -5.716 14 HG2 GLU 2 HG2 GLU 2 1.163 0.694 -5.426 15 HG3 GLU 2 HG3 GLU 2 0.774 1.586 -6.896 16 H PHE 3 H PHE 3 1.595 3.708 -1.396 17 HA PHE 3 HA PHE 3 -0.998 5.068 -1.159 18 HB2 PHE 3 HB2 PHE 3 -0.767 3.286 0.432 19 HB3 PHE 3 HB3 PHE 3 0.826 3.854 0.920 20 HD1 PHE 3 HD1 PHE 3 0.678 4.445 3.143 21 HD2 PHE 3 HD2 PHE 3 -2.379 5.691 0.456 22 HE1 PHE 3 HE1 PHE 3 -0.348 5.783 4.935 23 HE2 PHE 3 HE2 PHE 3 -3.409 7.031 2.243 24 HZ PHE 3 HZ PHE 3 -2.393 7.079 4.486 25 H VAL 4 H VAL 4 2.426 5.410 -0.287 26 HA VAL 4 HA VAL 4 2.057 8.160 0.530 27 HB VAL 4 HB VAL 4 4.535 8.145 0.829 28 HG11 VAL 4 HG11 VAL 4 4.452 6.260 2.620 29 HG12 VAL 4 HG12 VAL 4 3.408 7.673 2.791 30 HG13 VAL 4 HG13 VAL 4 2.750 6.158 2.170 31 HG21 VAL 4 HG21 VAL 4 4.784 6.321 -0.982 32 HG22 VAL 4 HG22 VAL 4 5.850 6.272 0.422 33 HG23 VAL 4 HG23 VAL 4 4.459 5.192 0.334 34 H ALA 5 H ALA 5 2.909 6.441 -2.332 35 HA ALA 5 HA ALA 5 4.500 8.218 -3.716 36 HB1 ALA 5 HB1 ALA 5 2.541 7.143 -5.506 37 HB2 ALA 5 HB2 ALA 5 4.239 6.704 -5.316 38 HB3 ALA 5 HB3 ALA 5 3.009 5.916 -4.329 39 H LYS 6 H LYS 6 1.095 8.425 -2.988 40 HA LYS 6 HA LYS 6 0.886 10.872 -4.609 41 HB2 LYS 6 HB2 LYS 6 -1.211 8.976 -3.555 42 HB3 LYS 6 HB3 LYS 6 -1.608 10.551 -4.228 43 HG2 LYS 6 HG2 LYS 6 -0.590 9.901 -6.353 44 HG3 LYS 6 HG3 LYS 6 -0.199 8.318 -5.677 45 HD2 LYS 6 HD2 LYS 6 -2.535 7.802 -5.403 46 HD3 LYS 6 HD3 LYS 6 -2.993 9.434 -5.899 47 HE2 LYS 6 HE2 LYS 6 -1.391 7.671 -7.716 48 HE3 LYS 6 HE3 LYS 6 -3.143 7.504 -7.617 49 HZ1 LYS 6 HZ1 LYS 6 -1.588 9.869 -8.485 50 HZ2 LYS 6 HZ2 LYS 6 -3.230 9.962 -8.088 51 HZ3 LYS 6 HZ3 LYS 6 -2.725 8.985 -9.373 52 H LEU 7 H LEU 7 0.502 9.544 -1.386 53 HA LEU 7 HA LEU 7 -0.656 11.841 -0.197 54 HB2 LEU 7 HB2 LEU 7 -0.243 9.303 0.611 55 HB3 LEU 7 HB3 LEU 7 1.064 10.118 1.468 56 HG LEU 7 HG LEU 7 -0.930 9.858 2.864 57 HD11 LEU 7 HD11 LEU 7 -0.403 11.757 3.887 58 HD12 LEU 7 HD12 LEU 7 -1.090 12.726 2.584 59 HD13 LEU 7 HD13 LEU 7 0.578 12.163 2.479 60 HD21 LEU 7 HD21 LEU 7 -2.996 10.915 2.368 61 HD22 LEU 7 HD22 LEU 7 -2.542 9.988 0.938 62 HD23 LEU 7 HD23 LEU 7 -2.316 11.737 0.964 63 H PHE 8 H PHE 8 2.660 10.562 0.142 64 HA PHE 8 HA PHE 8 3.738 12.814 1.382 65 HB2 PHE 8 HB2 PHE 8 4.876 10.511 -0.137 66 HB3 PHE 8 HB3 PHE 8 5.929 11.876 0.217 67 HD1 PHE 8 HD1 PHE 8 3.227 10.330 2.254 68 HD2 PHE 8 HD2 PHE 8 7.384 11.155 1.859 69 HE1 PHE 8 HE1 PHE 8 3.615 9.437 4.514 70 HE2 PHE 8 HE2 PHE 8 7.779 10.263 4.118 71 HZ PHE 8 HZ PHE 8 5.894 9.401 5.448 72 H LYS 9 H LYS 9 3.298 12.063 -2.019 73 HA LYS 9 HA LYS 9 4.864 14.197 -3.039 74 HB2 LYS 9 HB2 LYS 9 3.943 12.062 -4.223 75 HB3 LYS 9 HB3 LYS 9 2.517 13.050 -4.512 76 HG2 LYS 9 HG2 LYS 9 3.729 13.375 -6.438 77 HG3 LYS 9 HG3 LYS 9 4.213 14.766 -5.465 78 HD2 LYS 9 HD2 LYS 9 6.226 13.532 -4.751 79 HD3 LYS 9 HD3 LYS 9 5.748 12.186 -5.789 80 HE2 LYS 9 HE2 LYS 9 6.446 14.989 -6.657 81 HE3 LYS 9 HE3 LYS 9 7.401 13.531 -6.922 82 HZ1 LYS 9 HZ1 LYS 9 5.143 12.791 -8.061 83 HZ2 LYS 9 HZ2 LYS 9 6.349 13.624 -8.904 84 HZ3 LYS 9 HZ3 LYS 9 5.007 14.460 -8.302 85 H PHE 10 H PHE 10 1.625 13.967 -1.825 86 HA PHE 10 HA PHE 10 0.610 16.335 -3.031 87 HB2 PHE 10 HB2 PHE 10 -0.693 14.378 -1.957 88 HB3 PHE 10 HB3 PHE 10 -0.393 15.202 -0.431 89 HD1 PHE 10 HD1 PHE 10 -2.531 14.945 -3.237 90 HD2 PHE 10 HD2 PHE 10 -1.115 17.678 -0.296 91 HE1 PHE 10 HE1 PHE 10 -4.486 16.383 -3.637 92 HE2 PHE 10 HE2 PHE 10 -3.069 19.120 -0.691 93 HZ PHE 10 HZ PHE 10 -4.758 18.473 -2.362 94 H PHE 11 H PHE 11 2.533 15.676 -0.224 95 HA PHE 11 HA PHE 11 2.163 18.395 0.792 96 HB2 PHE 11 HB2 PHE 11 3.177 15.842 1.931 97 HB3 PHE 11 HB3 PHE 11 3.873 17.333 2.557 98 HD1 PHE 11 HD1 PHE 11 2.441 18.988 3.686 99 HD2 PHE 11 HD2 PHE 11 0.953 15.195 2.456 100 HE1 PHE 11 HE1 PHE 11 0.498 19.273 5.169 101 HE2 PHE 11 HE2 PHE 11 -0.992 15.474 3.936 102 HZ PHE 11 HZ PHE 11 -1.222 17.515 5.295 103 H LYS 12 H LYS 12 4.424 16.417 -0.914 104 HA LYS 12 HA LYS 12 6.702 18.112 -0.440 105 HB2 LYS 12 HB2 LYS 12 6.703 15.594 -0.998 106 HB3 LYS 12 HB3 LYS 12 6.461 16.101 -2.665 107 HG2 LYS 12 HG2 LYS 12 8.541 17.263 -2.694 108 HG3 LYS 12 HG3 LYS 12 8.752 17.039 -0.956 109 HD2 LYS 12 HD2 LYS 12 10.141 15.472 -2.193 110 HD3 LYS 12 HD3 LYS 12 8.887 14.611 -1.298 111 HE2 LYS 12 HE2 LYS 12 7.654 14.163 -3.234 112 HE3 LYS 12 HE3 LYS 12 8.494 15.402 -4.165 113 HZ1 LYS 12 HZ1 LYS 12 9.063 12.855 -4.405 114 HZ2 LYS 12 HZ2 LYS 12 10.089 13.196 -3.104 115 HZ3 LYS 12 HZ3 LYS 12 10.253 14.047 -4.557 116 H ASP 13 H ASP 13 4.236 17.761 -2.905 117 HA ASP 13 HA ASP 13 5.458 19.358 -4.891 118 HB2 ASP 13 HB2 ASP 13 3.414 19.260 -6.035 119 HB3 ASP 13 HB3 ASP 13 3.437 17.767 -5.100 120 H LEU 14 H LEU 14 3.437 20.108 -2.121 121 HA LEU 14 HA LEU 14 2.944 22.821 -2.827 122 HB2 LEU 14 HB2 LEU 14 2.931 21.669 -0.049 123 HB3 LEU 14 HB3 LEU 14 2.041 23.069 -0.644 124 HG LEU 14 HG LEU 14 1.495 20.326 -1.726 125 HD11 LEU 14 HD11 LEU 14 1.349 20.230 0.743 126 HD12 LEU 14 HD12 LEU 14 -0.205 19.996 -0.057 127 HD13 LEU 14 HD13 LEU 14 0.175 21.546 0.694 128 HD21 LEU 14 HD21 LEU 14 0.633 22.469 -2.786 129 HD22 LEU 14 HD22 LEU 14 -0.368 22.655 -1.346 130 HD23 LEU 14 HD23 LEU 14 -0.570 21.243 -2.384 131 H LEU 15 H LEU 15 5.340 21.205 -0.788 132 HA LEU 15 HA LEU 15 6.569 23.629 0.092 133 HB2 LEU 15 HB2 LEU 15 7.667 20.822 0.073 134 HB3 LEU 15 HB3 LEU 15 8.317 22.185 0.981 135 HG LEU 15 HG LEU 15 5.560 21.063 1.439 136 HD11 LEU 15 HD11 LEU 15 7.510 19.443 1.821 137 HD12 LEU 15 HD12 LEU 15 6.373 19.697 3.144 138 HD13 LEU 15 HD13 LEU 15 7.944 20.498 3.166 139 HD21 LEU 15 HD21 LEU 15 7.259 23.152 2.692 140 HD22 LEU 15 HD22 LEU 15 6.232 22.178 3.743 141 HD23 LEU 15 HD23 LEU 15 5.515 23.116 2.432 142 H GLY 16 H GLY 16 7.260 21.257 -2.441 143 HA2 GLY 16 HA2 GLY 16 9.747 22.119 -3.281 144 HA3 GLY 16 HA3 GLY 16 8.532 21.428 -4.346 145 H LYS 17 H LYS 17 6.641 23.632 -3.777 146 HA LYS 17 HA LYS 17 7.263 25.301 -5.931 147 HB2 LYS 17 HB2 LYS 17 5.012 24.861 -4.638 148 HB3 LYS 17 HB3 LYS 17 5.504 26.275 -3.715 149 HG2 LYS 17 HG2 LYS 17 4.182 27.193 -5.361 150 HG3 LYS 17 HG3 LYS 17 5.802 27.383 -6.035 151 HD2 LYS 17 HD2 LYS 17 4.678 26.514 -7.843 152 HD3 LYS 17 HD3 LYS 17 5.298 25.039 -7.098 153 HE2 LYS 17 HE2 LYS 17 3.045 25.036 -5.819 154 HE3 LYS 17 HE3 LYS 17 2.515 26.146 -7.082 155 HZ1 LYS 17 HZ1 LYS 17 1.926 24.059 -7.873 156 HZ2 LYS 17 HZ2 LYS 17 3.357 23.328 -7.343 157 HZ3 LYS 17 HZ3 LYS 17 3.383 24.370 -8.676 158 H PHE 18 H PHE 18 8.155 25.474 -2.584 159 HA PHE 18 HA PHE 18 9.288 28.156 -2.998 160 HB2 PHE 18 HB2 PHE 18 7.750 27.977 -1.095 161 HB3 PHE 18 HB3 PHE 18 8.726 26.676 -0.419 162 HD1 PHE 18 HD1 PHE 18 10.505 27.146 1.003 163 HD2 PHE 18 HD2 PHE 18 8.842 30.259 -1.376 164 HE1 PHE 18 HE1 PHE 18 11.868 28.798 2.216 165 HE2 PHE 18 HE2 PHE 18 10.202 31.915 -0.168 166 HZ PHE 18 HZ PHE 18 11.718 31.185 1.631 167 H LEU 19 H LEU 19 10.034 24.886 -1.916 168 HA LEU 19 HA LEU 19 12.650 25.238 -1.063 169 HB2 LEU 19 HB2 LEU 19 11.423 22.891 -2.501 170 HB3 LEU 19 HB3 LEU 19 12.980 22.858 -1.675 171 HG LEU 19 HG LEU 19 10.444 23.539 -0.217 172 HD11 LEU 19 HD11 LEU 19 11.572 20.775 -0.221 173 HD12 LEU 19 HD12 LEU 19 10.444 21.266 -1.485 174 HD13 LEU 19 HD13 LEU 19 9.953 21.329 0.208 175 HD21 LEU 19 HD21 LEU 19 13.258 22.957 0.462 176 HD22 LEU 19 HD22 LEU 19 12.036 22.261 1.525 177 HD23 LEU 19 HD23 LEU 19 12.087 24.005 1.263 178 H GLY 20 H GLY 20 11.357 24.980 -4.316 179 HA2 GLY 20 HA2 GLY 20 13.799 24.579 -5.675 180 HA3 GLY 20 HA3 GLY 20 12.332 25.243 -6.378 181 H ASN 21 H ASN 21 11.895 27.589 -5.442 182 HA ASN 21 HA ASN 21 14.270 29.116 -6.155 183 HB2 ASN 21 HB2 ASN 21 11.784 29.457 -6.993 184 HB3 ASN 21 HB3 ASN 21 11.653 30.411 -5.519 185 HD21 ASN 21 HD21 ASN 21 12.707 30.334 -8.730 186 HD22 ASN 21 HD22 ASN 21 13.489 31.874 -8.767 187 H ASN 22 H ASN 22 15.613 29.300 -4.443 188 HA ASN 22 HA ASN 22 14.703 29.649 -1.761 189 HB2 ASN 22 HB2 ASN 22 17.422 29.916 -3.049 190 HB3 ASN 22 HB3 ASN 22 17.153 30.150 -1.325 191 HD21 ASN 22 HD21 ASN 22 16.748 28.402 -0.026 192 HD22 ASN 22 HD22 ASN 22 16.923 26.769 -0.563 Start of MODEL 10 1 HA FME 1 HA FME 1 1.573 0.163 -2.709 2 HB2 FME 1 HB2 FME 1 4.068 0.078 -0.957 3 HB3 FME 1 HB3 FME 1 2.930 -1.303 -1.138 4 HG2 FME 1 HG2 FME 1 1.109 -0.127 -0.123 5 HG3 FME 1 HG3 FME 1 1.860 1.489 -0.380 6 HE1 FME 1 HE2 FME 1 4.120 2.169 2.463 7 HE2 FME 1 HE3 FME 1 2.452 2.665 1.937 8 HE3 FME 1 HE8 FME 1 3.758 2.423 0.707 9 HF FME 1 HF FME 1 2.964 -2.576 -4.624 10 H GLU 2 H GLU 2 1.357 1.716 -4.169 11 HA GLU 2 HA GLU 2 3.245 3.953 -4.024 12 HB2 GLU 2 HB2 GLU 2 1.914 4.856 -5.949 13 HB3 GLU 2 HB3 GLU 2 2.723 3.329 -6.271 14 HG2 GLU 2 HG2 GLU 2 0.763 2.144 -6.347 15 HG3 GLU 2 HG3 GLU 2 -0.098 3.292 -5.324 16 H PHE 3 H PHE 3 2.231 4.029 -1.712 17 HA PHE 3 HA PHE 3 -0.304 5.465 -1.659 18 HB2 PHE 3 HB2 PHE 3 0.031 3.708 0.002 19 HB3 PHE 3 HB3 PHE 3 1.486 4.510 0.585 20 HD1 PHE 3 HD1 PHE 3 -1.971 5.683 -0.191 21 HD2 PHE 3 HD2 PHE 3 1.157 5.377 2.679 22 HE1 PHE 3 HE1 PHE 3 -3.326 6.960 1.417 23 HE2 PHE 3 HE2 PHE 3 -0.193 6.652 4.292 24 HZ PHE 3 HZ PHE 3 -2.438 7.445 3.663 25 H VAL 4 H VAL 4 3.027 5.950 -0.493 26 HA VAL 4 HA VAL 4 2.526 8.753 0.021 27 HB VAL 4 HB VAL 4 4.945 8.818 0.635 28 HG11 VAL 4 HG11 VAL 4 4.654 7.110 2.568 29 HG12 VAL 4 HG12 VAL 4 3.566 8.496 2.466 30 HG13 VAL 4 HG13 VAL 4 3.029 6.910 1.911 31 HG21 VAL 4 HG21 VAL 4 6.347 7.012 0.475 32 HG22 VAL 4 HG22 VAL 4 5.026 5.843 0.506 33 HG23 VAL 4 HG23 VAL 4 5.352 6.766 -0.961 34 H ALA 5 H ALA 5 3.721 6.814 -2.554 35 HA ALA 5 HA ALA 5 5.477 8.477 -3.879 36 HB1 ALA 5 HB1 ALA 5 5.402 6.840 -5.374 37 HB2 ALA 5 HB2 ALA 5 4.067 6.122 -4.471 38 HB3 ALA 5 HB3 ALA 5 3.737 7.244 -5.792 39 H LYS 6 H LYS 6 2.011 8.728 -3.587 40 HA LYS 6 HA LYS 6 2.021 11.042 -5.406 41 HB2 LYS 6 HB2 LYS 6 -0.500 10.728 -5.348 42 HB3 LYS 6 HB3 LYS 6 0.421 9.476 -6.170 43 HG2 LYS 6 HG2 LYS 6 0.268 8.069 -4.162 44 HG3 LYS 6 HG3 LYS 6 -0.705 9.318 -3.382 45 HD2 LYS 6 HD2 LYS 6 -2.191 9.073 -5.525 46 HD3 LYS 6 HD3 LYS 6 -1.405 7.496 -5.642 47 HE2 LYS 6 HE2 LYS 6 -2.725 8.450 -3.116 48 HE3 LYS 6 HE3 LYS 6 -3.619 7.610 -4.382 49 HZ1 LYS 6 HZ1 LYS 6 -2.778 6.152 -2.577 50 HZ2 LYS 6 HZ2 LYS 6 -1.199 6.507 -3.068 51 HZ3 LYS 6 HZ3 LYS 6 -2.250 5.700 -4.119 52 H LEU 7 H LEU 7 1.125 9.934 -2.191 53 HA LEU 7 HA LEU 7 -0.169 12.282 -1.325 54 HB2 LEU 7 HB2 LEU 7 0.166 9.833 -0.280 55 HB3 LEU 7 HB3 LEU 7 1.374 10.717 0.651 56 HG LEU 7 HG LEU 7 -0.754 10.544 1.844 57 HD11 LEU 7 HD11 LEU 7 -0.378 12.530 2.769 58 HD12 LEU 7 HD12 LEU 7 -0.870 13.387 1.309 59 HD13 LEU 7 HD13 LEU 7 0.789 12.813 1.477 60 HD21 LEU 7 HD21 LEU 7 -2.754 11.584 1.054 61 HD22 LEU 7 HD22 LEU 7 -2.177 10.494 -0.207 62 HD23 LEU 7 HD23 LEU 7 -1.923 12.233 -0.360 63 H PHE 8 H PHE 8 3.105 11.138 -0.480 64 HA PHE 8 HA PHE 8 3.963 13.519 0.697 65 HB2 PHE 8 HB2 PHE 8 5.331 11.125 -0.442 66 HB3 PHE 8 HB3 PHE 8 6.306 12.548 -0.089 67 HD1 PHE 8 HD1 PHE 8 3.439 10.942 1.676 68 HD2 PHE 8 HD2 PHE 8 7.502 12.200 1.838 69 HE1 PHE 8 HE1 PHE 8 3.548 10.274 4.041 70 HE2 PHE 8 HE2 PHE 8 7.617 11.533 4.203 71 HZ PHE 8 HZ PHE 8 5.639 10.568 5.308 72 H LYS 9 H LYS 9 4.085 12.432 -2.652 73 HA LYS 9 HA LYS 9 5.709 14.518 -3.644 74 HB2 LYS 9 HB2 LYS 9 4.974 12.270 -4.744 75 HB3 LYS 9 HB3 LYS 9 3.586 13.196 -5.301 76 HG2 LYS 9 HG2 LYS 9 5.150 14.805 -6.358 77 HG3 LYS 9 HG3 LYS 9 6.485 13.747 -5.896 78 HD2 LYS 9 HD2 LYS 9 6.057 13.082 -8.073 79 HD3 LYS 9 HD3 LYS 9 5.123 11.915 -7.134 80 HE2 LYS 9 HE2 LYS 9 3.095 13.149 -7.525 81 HE3 LYS 9 HE3 LYS 9 3.989 14.449 -8.312 82 HZ1 LYS 9 HZ1 LYS 9 4.348 11.803 -9.449 83 HZ2 LYS 9 HZ2 LYS 9 4.158 13.296 -10.219 84 HZ3 LYS 9 HZ3 LYS 9 2.804 12.470 -9.633 85 H PHE 10 H PHE 10 2.347 14.336 -2.829 86 HA PHE 10 HA PHE 10 1.512 16.602 -4.359 87 HB2 PHE 10 HB2 PHE 10 0.041 14.707 -3.458 88 HB3 PHE 10 HB3 PHE 10 0.119 15.536 -1.907 89 HD1 PHE 10 HD1 PHE 10 -1.697 15.193 -4.875 90 HD2 PHE 10 HD2 PHE 10 -0.493 18.100 -2.009 91 HE1 PHE 10 HE1 PHE 10 -3.565 16.638 -5.561 92 HE2 PHE 10 HE2 PHE 10 -2.360 19.550 -2.690 93 HZ PHE 10 HZ PHE 10 -3.900 18.819 -4.468 94 H PHE 11 H PHE 11 2.510 16.074 -1.011 95 HA PHE 11 HA PHE 11 2.032 18.792 -0.228 96 HB2 PHE 11 HB2 PHE 11 3.186 16.363 1.059 97 HB3 PHE 11 HB3 PHE 11 3.588 17.931 1.750 98 HD1 PHE 11 HD1 PHE 11 1.865 19.328 2.753 99 HD2 PHE 11 HD2 PHE 11 0.963 15.470 1.198 100 HE1 PHE 11 HE1 PHE 11 -0.278 19.345 3.963 101 HE2 PHE 11 HE2 PHE 11 -1.181 15.481 2.404 102 HZ PHE 11 HZ PHE 11 -1.804 17.420 3.788 103 H LYS 12 H LYS 12 4.845 16.880 -1.170 104 HA LYS 12 HA LYS 12 6.861 18.700 -0.569 105 HB2 LYS 12 HB2 LYS 12 7.116 16.303 -1.353 106 HB3 LYS 12 HB3 LYS 12 6.847 16.893 -2.988 107 HG2 LYS 12 HG2 LYS 12 8.835 18.182 -2.944 108 HG3 LYS 12 HG3 LYS 12 9.037 17.931 -1.208 109 HD2 LYS 12 HD2 LYS 12 8.974 15.594 -3.079 110 HD3 LYS 12 HD3 LYS 12 10.455 16.532 -2.874 111 HE2 LYS 12 HE2 LYS 12 10.773 14.967 -1.246 112 HE3 LYS 12 HE3 LYS 12 9.895 16.179 -0.314 113 HZ1 LYS 12 HZ1 LYS 12 8.129 14.367 -1.630 114 HZ2 LYS 12 HZ2 LYS 12 8.223 14.775 0.008 115 HZ3 LYS 12 HZ3 LYS 12 9.207 13.548 -0.615 116 H ASP 13 H ASP 13 4.584 18.642 -3.207 117 HA ASP 13 HA ASP 13 5.942 20.499 -4.881 118 HB2 ASP 13 HB2 ASP 13 3.974 18.845 -5.410 119 HB3 ASP 13 HB3 ASP 13 2.962 20.199 -4.916 120 H LEU 14 H LEU 14 3.737 20.793 -2.192 121 HA LEU 14 HA LEU 14 3.222 23.595 -2.633 122 HB2 LEU 14 HB2 LEU 14 2.711 22.062 -0.101 123 HB3 LEU 14 HB3 LEU 14 1.897 23.514 -0.679 124 HG LEU 14 HG LEU 14 1.671 20.821 -2.015 125 HD11 LEU 14 HD11 LEU 14 0.383 20.212 -0.309 126 HD12 LEU 14 HD12 LEU 14 -0.761 21.441 -0.846 127 HD13 LEU 14 HD13 LEU 14 0.428 21.827 0.398 128 HD21 LEU 14 HD21 LEU 14 -0.330 23.002 -2.265 129 HD22 LEU 14 HD22 LEU 14 0.149 21.764 -3.427 130 HD23 LEU 14 HD23 LEU 14 1.188 23.163 -3.148 131 H LEU 15 H LEU 15 5.405 21.645 -0.717 132 HA LEU 15 HA LEU 15 6.347 23.865 0.862 133 HB2 LEU 15 HB2 LEU 15 7.581 21.139 0.513 134 HB3 LEU 15 HB3 LEU 15 7.925 22.300 1.794 135 HG LEU 15 HG LEU 15 5.324 20.821 1.393 136 HD11 LEU 15 HD11 LEU 15 7.314 19.499 2.207 137 HD12 LEU 15 HD12 LEU 15 5.911 19.520 3.276 138 HD13 LEU 15 HD13 LEU 15 7.308 20.535 3.635 139 HD21 LEU 15 HD21 LEU 15 6.150 23.059 3.158 140 HD22 LEU 15 HD22 LEU 15 5.127 21.800 3.852 141 HD23 LEU 15 HD23 LEU 15 4.581 22.702 2.437 142 H GLY 16 H GLY 16 7.263 22.242 -2.090 143 HA2 GLY 16 HA2 GLY 16 9.913 23.047 -2.346 144 HA3 GLY 16 HA3 GLY 16 8.818 22.771 -3.693 145 H LYS 17 H LYS 17 6.980 24.893 -2.765 146 HA LYS 17 HA LYS 17 7.985 27.022 -4.279 147 HB2 LYS 17 HB2 LYS 17 5.706 26.705 -2.367 148 HB3 LYS 17 HB3 LYS 17 6.127 28.315 -2.938 149 HG2 LYS 17 HG2 LYS 17 5.696 27.721 -5.194 150 HG3 LYS 17 HG3 LYS 17 5.562 26.009 -4.783 151 HD2 LYS 17 HD2 LYS 17 3.544 26.430 -3.521 152 HD3 LYS 17 HD3 LYS 17 3.708 28.169 -3.780 153 HE2 LYS 17 HE2 LYS 17 3.459 27.815 -6.198 154 HE3 LYS 17 HE3 LYS 17 3.263 26.085 -5.917 155 HZ1 LYS 17 HZ1 LYS 17 1.408 27.153 -4.283 156 HZ2 LYS 17 HZ2 LYS 17 1.099 26.574 -5.842 157 HZ3 LYS 17 HZ3 LYS 17 1.362 28.226 -5.591 158 H PHE 18 H PHE 18 8.264 26.269 -0.886 159 HA PHE 18 HA PHE 18 9.537 28.858 -0.366 160 HB2 PHE 18 HB2 PHE 18 7.695 27.752 1.133 161 HB3 PHE 18 HB3 PHE 18 9.039 26.799 1.755 162 HD1 PHE 18 HD1 PHE 18 10.496 27.679 3.355 163 HD2 PHE 18 HD2 PHE 18 7.832 30.268 1.278 164 HE1 PHE 18 HE1 PHE 18 11.089 29.512 4.886 165 HE2 PHE 18 HE2 PHE 18 8.421 32.105 2.805 166 HZ PHE 18 HZ PHE 18 10.052 31.729 4.611 167 H LEU 19 H LEU 19 10.120 25.377 -0.154 168 HA LEU 19 HA LEU 19 12.682 25.465 0.965 169 HB2 LEU 19 HB2 LEU 19 11.445 23.473 -0.927 170 HB3 LEU 19 HB3 LEU 19 12.982 23.227 -0.098 171 HG LEU 19 HG LEU 19 10.369 23.645 1.343 172 HD11 LEU 19 HD11 LEU 19 11.487 20.965 1.400 173 HD12 LEU 19 HD12 LEU 19 10.982 21.459 -0.215 174 HD13 LEU 19 HD13 LEU 19 9.829 21.496 1.119 175 HD21 LEU 19 HD21 LEU 19 11.684 22.518 3.175 176 HD22 LEU 19 HD22 LEU 19 12.203 24.150 2.752 177 HD23 LEU 19 HD23 LEU 19 13.119 22.756 2.178 178 H GLY 20 H GLY 20 11.582 25.886 -2.337 179 HA2 GLY 20 HA2 GLY 20 12.676 26.788 -4.153 180 HA3 GLY 20 HA3 GLY 20 14.024 27.156 -3.088 181 H ASN 21 H ASN 21 12.494 24.120 -4.162 182 HA ASN 21 HA ASN 21 15.139 22.985 -4.602 183 HB2 ASN 21 HB2 ASN 21 12.360 21.847 -4.468 184 HB3 ASN 21 HB3 ASN 21 13.684 20.903 -5.146 185 HD21 ASN 21 HD21 ASN 21 12.092 20.434 -2.755 186 HD22 ASN 21 HD22 ASN 21 13.212 20.352 -1.442 187 H ASN 22 H ASN 22 12.114 23.428 -6.428 188 HA ASN 22 HA ASN 22 13.077 22.494 -8.890 189 HB2 ASN 22 HB2 ASN 22 10.993 24.654 -8.634 190 HB3 ASN 22 HB3 ASN 22 11.110 23.384 -9.849 191 HD21 ASN 22 HD21 ASN 22 9.900 24.284 -6.796 192 HD22 ASN 22 HD22 ASN 22 9.127 22.789 -6.403 Start of MODEL 11 1 HA FME 1 HA FME 1 2.644 0.678 -2.197 2 HB2 FME 1 HB2 FME 1 3.867 2.337 -0.796 3 HB3 FME 1 HB3 FME 1 5.318 2.079 -1.827 4 HG2 FME 1 HG2 FME 1 3.975 -0.333 -0.471 5 HG3 FME 1 HG3 FME 1 5.083 0.730 0.469 6 HE1 FME 1 HE2 FME 1 6.914 -0.808 0.982 7 HE2 FME 1 HE3 FME 1 7.646 0.715 0.311 8 HE3 FME 1 HE8 FME 1 8.319 -0.899 -0.157 9 HF FME 1 HF FME 1 3.952 -1.278 -4.952 10 H GLU 2 H GLU 2 1.100 1.439 -3.309 11 HA GLU 2 HA GLU 2 1.463 4.003 -4.689 12 HB2 GLU 2 HB2 GLU 2 -0.698 3.547 -5.745 13 HB3 GLU 2 HB3 GLU 2 0.426 2.220 -6.002 14 HG2 GLU 2 HG2 GLU 2 -1.432 2.067 -3.691 15 HG3 GLU 2 HG3 GLU 2 -2.074 1.798 -5.310 16 H PHE 3 H PHE 3 1.473 3.986 -1.864 17 HA PHE 3 HA PHE 3 -1.125 5.216 -1.225 18 HB2 PHE 3 HB2 PHE 3 -0.701 3.362 0.237 19 HB3 PHE 3 HB3 PHE 3 0.938 3.919 0.561 20 HD1 PHE 3 HD1 PHE 3 1.173 4.608 2.730 21 HD2 PHE 3 HD2 PHE 3 -2.426 5.538 0.656 22 HE1 PHE 3 HE1 PHE 3 0.364 5.845 4.696 23 HE2 PHE 3 HE2 PHE 3 -3.240 6.777 2.619 24 HZ PHE 3 HZ PHE 3 -1.845 6.933 4.643 25 H VAL 4 H VAL 4 2.355 5.528 -0.526 26 HA VAL 4 HA VAL 4 2.025 8.279 0.304 27 HB VAL 4 HB VAL 4 4.508 8.243 0.557 28 HG11 VAL 4 HG11 VAL 4 4.444 6.358 2.347 29 HG12 VAL 4 HG12 VAL 4 3.410 7.775 2.537 30 HG13 VAL 4 HG13 VAL 4 2.734 6.264 1.926 31 HG21 VAL 4 HG21 VAL 4 4.347 5.297 -0.008 32 HG22 VAL 4 HG22 VAL 4 4.773 6.467 -1.257 33 HG23 VAL 4 HG23 VAL 4 5.782 6.305 0.181 34 H ALA 5 H ALA 5 2.786 6.564 -2.580 35 HA ALA 5 HA ALA 5 4.376 8.319 -3.994 36 HB1 ALA 5 HB1 ALA 5 4.049 6.823 -5.598 37 HB2 ALA 5 HB2 ALA 5 2.834 6.046 -4.581 38 HB3 ALA 5 HB3 ALA 5 2.353 7.287 -5.738 39 H LYS 6 H LYS 6 0.996 8.586 -3.181 40 HA LYS 6 HA LYS 6 0.800 11.051 -4.777 41 HB2 LYS 6 HB2 LYS 6 -1.293 9.144 -3.746 42 HB3 LYS 6 HB3 LYS 6 -1.704 10.755 -4.319 43 HG2 LYS 6 HG2 LYS 6 -0.215 8.747 -5.988 44 HG3 LYS 6 HG3 LYS 6 -1.974 8.901 -5.987 45 HD2 LYS 6 HD2 LYS 6 -1.599 11.358 -6.539 46 HD3 LYS 6 HD3 LYS 6 0.078 10.916 -6.868 47 HE2 LYS 6 HE2 LYS 6 -0.464 9.711 -8.737 48 HE3 LYS 6 HE3 LYS 6 -2.078 9.317 -8.148 49 HZ1 LYS 6 HZ1 LYS 6 -2.943 11.210 -8.980 50 HZ2 LYS 6 HZ2 LYS 6 -1.633 11.103 -10.045 51 HZ3 LYS 6 HZ3 LYS 6 -1.548 12.125 -8.700 52 H LEU 7 H LEU 7 0.392 9.683 -1.567 53 HA LEU 7 HA LEU 7 -0.706 11.969 -0.327 54 HB2 LEU 7 HB2 LEU 7 -0.299 9.430 0.447 55 HB3 LEU 7 HB3 LEU 7 1.055 10.208 1.264 56 HG LEU 7 HG LEU 7 -0.886 9.967 2.734 57 HD11 LEU 7 HD11 LEU 7 -0.323 11.857 3.760 58 HD12 LEU 7 HD12 LEU 7 -0.989 12.848 2.463 59 HD13 LEU 7 HD13 LEU 7 0.658 12.231 2.343 60 HD21 LEU 7 HD21 LEU 7 -2.558 10.162 0.850 61 HD22 LEU 7 HD22 LEU 7 -2.320 11.907 0.936 62 HD23 LEU 7 HD23 LEU 7 -2.957 11.034 2.330 63 H PHE 8 H PHE 8 2.618 10.689 -0.073 64 HA PHE 8 HA PHE 8 3.720 12.929 1.169 65 HB2 PHE 8 HB2 PHE 8 4.828 10.643 -0.399 66 HB3 PHE 8 HB3 PHE 8 5.887 12.005 -0.048 67 HD1 PHE 8 HD1 PHE 8 3.234 10.377 1.997 68 HD2 PHE 8 HD2 PHE 8 7.364 11.319 1.582 69 HE1 PHE 8 HE1 PHE 8 3.665 9.457 4.238 70 HE2 PHE 8 HE2 PHE 8 7.802 10.399 3.821 71 HZ PHE 8 HZ PHE 8 5.952 9.466 5.152 72 H LYS 9 H LYS 9 3.542 12.099 -2.276 73 HA LYS 9 HA LYS 9 4.983 14.262 -3.287 74 HB2 LYS 9 HB2 LYS 9 3.942 12.136 -4.445 75 HB3 LYS 9 HB3 LYS 9 2.599 13.226 -4.766 76 HG2 LYS 9 HG2 LYS 9 3.979 13.295 -6.671 77 HG3 LYS 9 HG3 LYS 9 4.278 14.799 -5.797 78 HD2 LYS 9 HD2 LYS 9 6.325 13.911 -4.879 79 HD3 LYS 9 HD3 LYS 9 6.001 12.330 -5.594 80 HE2 LYS 9 HE2 LYS 9 6.401 14.876 -7.160 81 HE3 LYS 9 HE3 LYS 9 7.657 13.675 -6.862 82 HZ1 LYS 9 HZ1 LYS 9 6.661 13.349 -9.023 83 HZ2 LYS 9 HZ2 LYS 9 5.121 13.217 -8.338 84 HZ3 LYS 9 HZ3 LYS 9 6.291 12.037 -8.021 85 H PHE 10 H PHE 10 1.658 14.028 -2.215 86 HA PHE 10 HA PHE 10 0.604 16.344 -3.342 87 HB2 PHE 10 HB2 PHE 10 -0.648 14.558 -2.062 88 HB3 PHE 10 HB3 PHE 10 -0.066 15.315 -0.583 89 HD1 PHE 10 HD1 PHE 10 -2.529 15.379 -3.181 90 HD2 PHE 10 HD2 PHE 10 -0.704 17.710 -0.123 91 HE1 PHE 10 HE1 PHE 10 -4.433 16.936 -3.237 92 HE2 PHE 10 HE2 PHE 10 -2.606 19.270 -0.173 93 HZ PHE 10 HZ PHE 10 -4.474 18.884 -1.731 94 H PHE 11 H PHE 11 2.002 15.962 -0.082 95 HA PHE 11 HA PHE 11 1.963 18.727 0.513 96 HB2 PHE 11 HB2 PHE 11 3.181 16.299 1.729 97 HB3 PHE 11 HB3 PHE 11 3.835 17.861 2.209 98 HD1 PHE 11 HD1 PHE 11 2.842 19.017 3.938 99 HD2 PHE 11 HD2 PHE 11 0.591 16.069 1.850 100 HE1 PHE 11 HE1 PHE 11 0.996 19.297 5.540 101 HE2 PHE 11 HE2 PHE 11 -1.259 16.345 3.448 102 HZ PHE 11 HZ PHE 11 -1.059 17.961 5.296 103 H LYS 12 H LYS 12 4.471 16.573 -0.743 104 HA LYS 12 HA LYS 12 6.656 18.264 -0.671 105 HB2 LYS 12 HB2 LYS 12 6.437 15.790 -1.453 106 HB3 LYS 12 HB3 LYS 12 6.166 16.492 -3.043 107 HG2 LYS 12 HG2 LYS 12 8.448 16.033 -2.991 108 HG3 LYS 12 HG3 LYS 12 8.347 17.764 -2.660 109 HD2 LYS 12 HD2 LYS 12 9.823 17.096 -1.029 110 HD3 LYS 12 HD3 LYS 12 8.291 16.966 -0.161 111 HE2 LYS 12 HE2 LYS 12 9.474 14.977 0.305 112 HE3 LYS 12 HE3 LYS 12 8.243 14.541 -0.880 113 HZ1 LYS 12 HZ1 LYS 12 9.912 14.650 -2.614 114 HZ2 LYS 12 HZ2 LYS 12 10.390 13.561 -1.411 115 HZ3 LYS 12 HZ3 LYS 12 11.097 15.096 -1.491 116 H ASP 13 H ASP 13 3.902 18.306 -2.799 117 HA ASP 13 HA ASP 13 5.004 19.956 -4.823 118 HB2 ASP 13 HB2 ASP 13 2.904 18.546 -4.995 119 HB3 ASP 13 HB3 ASP 13 2.089 19.792 -4.055 120 H LEU 14 H LEU 14 3.319 20.619 -1.804 121 HA LEU 14 HA LEU 14 3.024 23.416 -2.250 122 HB2 LEU 14 HB2 LEU 14 3.130 22.075 0.435 123 HB3 LEU 14 HB3 LEU 14 2.278 23.550 -0.015 124 HG LEU 14 HG LEU 14 1.531 20.817 -1.041 125 HD11 LEU 14 HD11 LEU 14 1.365 21.092 1.471 126 HD12 LEU 14 HD12 LEU 14 -0.123 20.662 0.627 127 HD13 LEU 14 HD13 LEU 14 0.142 22.323 1.157 128 HD21 LEU 14 HD21 LEU 14 -0.674 22.108 -1.352 129 HD22 LEU 14 HD22 LEU 14 0.637 22.397 -2.497 130 HD23 LEU 14 HD23 LEU 14 0.324 23.555 -1.203 131 H LEU 15 H LEU 15 5.428 21.419 -0.606 132 HA LEU 15 HA LEU 15 6.940 23.669 0.342 133 HB2 LEU 15 HB2 LEU 15 8.040 20.899 0.085 134 HB3 LEU 15 HB3 LEU 15 8.392 22.127 1.299 135 HG LEU 15 HG LEU 15 5.910 20.426 1.095 136 HD11 LEU 15 HD11 LEU 15 7.511 19.102 2.099 137 HD12 LEU 15 HD12 LEU 15 6.761 19.888 3.489 138 HD13 LEU 15 HD13 LEU 15 8.309 20.470 2.876 139 HD21 LEU 15 HD21 LEU 15 6.503 22.899 2.646 140 HD22 LEU 15 HD22 LEU 15 5.549 21.625 3.407 141 HD23 LEU 15 HD23 LEU 15 4.995 22.364 1.903 142 H GLY 16 H GLY 16 6.850 21.749 -2.537 143 HA2 GLY 16 HA2 GLY 16 9.411 22.001 -3.543 144 HA3 GLY 16 HA3 GLY 16 7.961 21.975 -4.535 145 H LYS 17 H LYS 17 6.745 24.334 -3.813 146 HA LYS 17 HA LYS 17 8.381 26.229 -5.236 147 HB2 LYS 17 HB2 LYS 17 6.423 27.702 -5.085 148 HB3 LYS 17 HB3 LYS 17 5.982 26.105 -5.677 149 HG2 LYS 17 HG2 LYS 17 5.458 25.644 -3.158 150 HG3 LYS 17 HG3 LYS 17 5.352 27.404 -3.073 151 HD2 LYS 17 HD2 LYS 17 3.886 25.878 -5.196 152 HD3 LYS 17 HD3 LYS 17 3.210 26.045 -3.574 153 HE2 LYS 17 HE2 LYS 17 2.283 27.868 -4.615 154 HE3 LYS 17 HE3 LYS 17 3.750 28.582 -3.948 155 HZ1 LYS 17 HZ1 LYS 17 4.298 27.506 -6.494 156 HZ2 LYS 17 HZ2 LYS 17 4.404 29.114 -5.980 157 HZ3 LYS 17 HZ3 LYS 17 2.949 28.521 -6.606 158 H PHE 18 H PHE 18 7.178 25.834 -1.943 159 HA PHE 18 HA PHE 18 7.955 28.309 -0.906 160 HB2 PHE 18 HB2 PHE 18 6.578 26.346 0.153 161 HB3 PHE 18 HB3 PHE 18 8.148 25.819 0.751 162 HD1 PHE 18 HD1 PHE 18 5.520 28.328 1.001 163 HD2 PHE 18 HD2 PHE 18 9.368 27.145 2.384 164 HE1 PHE 18 HE1 PHE 18 5.325 29.903 2.881 165 HE2 PHE 18 HE2 PHE 18 9.178 28.717 4.266 166 HZ PHE 18 HZ PHE 18 7.155 30.099 4.518 167 H LEU 19 H LEU 19 9.774 25.339 -1.399 168 HA LEU 19 HA LEU 19 12.142 26.450 -0.130 169 HB2 LEU 19 HB2 LEU 19 11.882 23.845 -1.614 170 HB3 LEU 19 HB3 LEU 19 13.147 24.312 -0.480 171 HG LEU 19 HG LEU 19 10.323 24.144 0.474 172 HD11 LEU 19 HD11 LEU 19 11.905 21.697 0.783 173 HD12 LEU 19 HD12 LEU 19 11.363 22.021 -0.864 174 HD13 LEU 19 HD13 LEU 19 10.187 21.908 0.445 175 HD21 LEU 19 HD21 LEU 19 11.251 24.153 2.525 176 HD22 LEU 19 HD22 LEU 19 12.633 24.855 1.682 177 HD23 LEU 19 HD23 LEU 19 12.600 23.127 2.036 178 H GLY 20 H GLY 20 11.010 25.550 -3.359 179 HA2 GLY 20 HA2 GLY 20 11.684 26.327 -5.422 180 HA3 GLY 20 HA3 GLY 20 12.717 27.482 -4.592 181 H ASN 21 H ASN 21 12.556 23.946 -5.052 182 HA ASN 21 HA ASN 21 15.272 23.442 -4.733 183 HB2 ASN 21 HB2 ASN 21 14.792 21.384 -6.166 184 HB3 ASN 21 HB3 ASN 21 13.812 21.579 -4.716 185 HD21 ASN 21 HD21 ASN 21 11.646 21.900 -4.894 186 HD22 ASN 21 HD22 ASN 21 10.790 21.834 -6.393 187 H ASN 22 H ASN 22 13.543 24.760 -7.432 188 HA ASN 22 HA ASN 22 14.193 25.535 -9.469 189 HB2 ASN 22 HB2 ASN 22 16.701 25.775 -7.842 190 HB3 ASN 22 HB3 ASN 22 16.736 26.151 -9.562 191 HD21 ASN 22 HD21 ASN 22 17.104 27.869 -7.215 192 HD22 ASN 22 HD22 ASN 22 15.936 29.132 -7.371 Start of MODEL 12 1 HA FME 1 HA FME 1 1.277 -0.539 -1.862 2 HB2 FME 1 HB2 FME 1 1.682 -0.126 1.125 3 HB3 FME 1 HB3 FME 1 0.439 -1.058 0.218 4 HG2 FME 1 HG2 FME 1 0.683 2.025 0.058 5 HG3 FME 1 HG3 FME 1 -0.390 1.170 1.224 6 HE1 FME 1 HE2 FME 1 -3.282 0.858 0.102 7 HE2 FME 1 HE3 FME 1 -2.039 -0.187 0.921 8 HE3 FME 1 HE8 FME 1 -2.857 -0.762 -0.588 9 HF FME 1 HF FME 1 3.768 -3.073 -1.531 10 H GLU 2 H GLU 2 1.045 1.122 -2.976 11 HA GLU 2 HA GLU 2 3.102 3.213 -2.828 12 HB2 GLU 2 HB2 GLU 2 1.151 2.737 -5.081 13 HB3 GLU 2 HB3 GLU 2 2.601 3.731 -5.111 14 HG2 GLU 2 HG2 GLU 2 3.305 1.858 -6.223 15 HG3 GLU 2 HG3 GLU 2 3.819 1.498 -4.575 16 H PHE 3 H PHE 3 1.727 3.861 -0.864 17 HA PHE 3 HA PHE 3 -0.605 5.451 -1.650 18 HB2 PHE 3 HB2 PHE 3 -1.038 4.004 0.215 19 HB3 PHE 3 HB3 PHE 3 0.413 4.552 1.048 20 HD1 PHE 3 HD1 PHE 3 -0.247 5.603 2.986 21 HD2 PHE 3 HD2 PHE 3 -2.326 6.438 -0.633 22 HE1 PHE 3 HE1 PHE 3 -1.564 7.328 4.145 23 HE2 PHE 3 HE2 PHE 3 -3.646 8.164 0.520 24 HZ PHE 3 HZ PHE 3 -3.265 8.612 2.912 25 H VAL 4 H VAL 4 2.598 5.716 -0.243 26 HA VAL 4 HA VAL 4 2.331 8.553 0.258 27 HB VAL 4 HB VAL 4 4.750 8.423 0.863 28 HG11 VAL 4 HG11 VAL 4 4.324 6.757 2.809 29 HG12 VAL 4 HG12 VAL 4 3.356 8.228 2.701 30 HG13 VAL 4 HG13 VAL 4 2.686 6.689 2.159 31 HG21 VAL 4 HG21 VAL 4 4.933 6.299 -0.717 32 HG22 VAL 4 HG22 VAL 4 6.009 6.533 0.661 33 HG23 VAL 4 HG23 VAL 4 4.618 5.458 0.801 34 H ALA 5 H ALA 5 3.347 6.511 -2.312 35 HA ALA 5 HA ALA 5 5.232 8.015 -3.651 36 HB1 ALA 5 HB1 ALA 5 3.385 6.922 -5.551 37 HB2 ALA 5 HB2 ALA 5 5.014 6.383 -5.139 38 HB3 ALA 5 HB3 ALA 5 3.629 5.784 -4.226 39 H LYS 6 H LYS 6 1.801 8.557 -3.346 40 HA LYS 6 HA LYS 6 1.995 10.852 -5.178 41 HB2 LYS 6 HB2 LYS 6 -0.209 8.991 -4.452 42 HB3 LYS 6 HB3 LYS 6 -0.644 10.660 -4.794 43 HG2 LYS 6 HG2 LYS 6 -0.845 9.773 -6.877 44 HG3 LYS 6 HG3 LYS 6 0.853 10.254 -6.926 45 HD2 LYS 6 HD2 LYS 6 1.574 8.025 -6.478 46 HD3 LYS 6 HD3 LYS 6 -0.073 7.502 -6.119 47 HE2 LYS 6 HE2 LYS 6 0.430 6.720 -8.300 48 HE3 LYS 6 HE3 LYS 6 -0.660 8.092 -8.494 49 HZ1 LYS 6 HZ1 LYS 6 0.942 8.569 -10.033 50 HZ2 LYS 6 HZ2 LYS 6 2.198 7.888 -9.127 51 HZ3 LYS 6 HZ3 LYS 6 1.567 9.398 -8.697 52 H LEU 7 H LEU 7 1.026 9.840 -1.953 53 HA LEU 7 HA LEU 7 -0.061 12.296 -1.096 54 HB2 LEU 7 HB2 LEU 7 0.084 9.825 -0.039 55 HB3 LEU 7 HB3 LEU 7 1.345 10.628 0.894 56 HG LEU 7 HG LEU 7 -0.795 10.620 2.074 57 HD11 LEU 7 HD11 LEU 7 -0.247 12.569 2.984 58 HD12 LEU 7 HD12 LEU 7 -0.738 13.453 1.540 59 HD13 LEU 7 HD13 LEU 7 0.893 12.794 1.658 60 HD21 LEU 7 HD21 LEU 7 -2.156 10.685 -0.064 61 HD22 LEU 7 HD22 LEU 7 -1.860 12.424 -0.084 62 HD23 LEU 7 HD23 LEU 7 -2.732 11.693 1.264 63 H PHE 8 H PHE 8 3.108 10.877 -0.259 64 HA PHE 8 HA PHE 8 4.169 13.188 0.900 65 HB2 PHE 8 HB2 PHE 8 5.332 10.678 -0.224 66 HB3 PHE 8 HB3 PHE 8 6.419 12.013 0.144 67 HD1 PHE 8 HD1 PHE 8 3.383 10.768 1.906 68 HD2 PHE 8 HD2 PHE 8 7.583 11.444 2.049 69 HE1 PHE 8 HE1 PHE 8 3.408 10.089 4.270 70 HE2 PHE 8 HE2 PHE 8 7.615 10.765 4.413 71 HZ PHE 8 HZ PHE 8 5.526 10.085 5.527 72 H LYS 9 H LYS 9 3.918 12.201 -2.428 73 HA LYS 9 HA LYS 9 5.809 14.086 -3.454 74 HB2 LYS 9 HB2 LYS 9 3.834 12.182 -4.592 75 HB3 LYS 9 HB3 LYS 9 4.307 13.537 -5.610 76 HG2 LYS 9 HG2 LYS 9 6.731 12.749 -4.865 77 HG3 LYS 9 HG3 LYS 9 5.887 11.209 -4.687 78 HD2 LYS 9 HD2 LYS 9 6.590 11.115 -6.886 79 HD3 LYS 9 HD3 LYS 9 4.954 11.757 -7.056 80 HE2 LYS 9 HE2 LYS 9 6.394 13.047 -8.456 81 HE3 LYS 9 HE3 LYS 9 5.941 14.051 -7.079 82 HZ1 LYS 9 HZ1 LYS 9 8.532 13.123 -7.888 83 HZ2 LYS 9 HZ2 LYS 9 8.219 12.830 -6.252 84 HZ3 LYS 9 HZ3 LYS 9 8.115 14.404 -6.864 85 H PHE 10 H PHE 10 2.449 14.172 -2.610 86 HA PHE 10 HA PHE 10 1.781 16.489 -4.142 87 HB2 PHE 10 HB2 PHE 10 0.201 14.688 -3.154 88 HB3 PHE 10 HB3 PHE 10 0.314 15.623 -1.666 89 HD1 PHE 10 HD1 PHE 10 -1.375 15.241 -4.748 90 HD2 PHE 10 HD2 PHE 10 -0.250 18.138 -1.840 91 HE1 PHE 10 HE1 PHE 10 -3.144 16.743 -5.565 92 HE2 PHE 10 HE2 PHE 10 -2.017 19.645 -2.652 93 HZ PHE 10 HZ PHE 10 -3.467 18.948 -4.517 94 H PHE 11 H PHE 11 2.438 15.944 -0.686 95 HA PHE 11 HA PHE 11 2.253 18.643 0.086 96 HB2 PHE 11 HB2 PHE 11 3.386 16.164 1.286 97 HB3 PHE 11 HB3 PHE 11 3.878 17.706 1.979 98 HD1 PHE 11 HD1 PHE 11 2.570 18.691 3.602 99 HD2 PHE 11 HD2 PHE 11 0.830 15.808 0.999 100 HE1 PHE 11 HE1 PHE 11 0.490 18.767 4.915 101 HE2 PHE 11 HE2 PHE 11 -1.253 15.880 2.307 102 HZ PHE 11 HZ PHE 11 -1.425 17.361 4.267 103 H LYS 12 H LYS 12 4.919 16.714 -1.139 104 HA LYS 12 HA LYS 12 7.058 18.386 -0.546 105 HB2 LYS 12 HB2 LYS 12 7.114 16.057 -1.569 106 HB3 LYS 12 HB3 LYS 12 6.794 16.828 -3.116 107 HG2 LYS 12 HG2 LYS 12 8.855 17.976 -3.082 108 HG3 LYS 12 HG3 LYS 12 9.128 17.584 -1.383 109 HD2 LYS 12 HD2 LYS 12 10.504 16.072 -2.474 110 HD3 LYS 12 HD3 LYS 12 9.043 15.122 -2.196 111 HE2 LYS 12 HE2 LYS 12 9.402 14.650 -4.402 112 HE3 LYS 12 HE3 LYS 12 8.388 16.083 -4.565 113 HZ1 LYS 12 HZ1 LYS 12 11.342 16.245 -4.516 114 HZ2 LYS 12 HZ2 LYS 12 10.239 17.413 -5.043 115 HZ3 LYS 12 HZ3 LYS 12 10.480 16.007 -5.952 116 H ASP 13 H ASP 13 4.539 18.734 -2.899 117 HA ASP 13 HA ASP 13 5.909 20.727 -4.462 118 HB2 ASP 13 HB2 ASP 13 3.942 19.086 -5.125 119 HB3 ASP 13 HB3 ASP 13 2.940 20.412 -4.542 120 H LEU 14 H LEU 14 3.833 20.666 -1.685 121 HA LEU 14 HA LEU 14 3.104 23.443 -1.821 122 HB2 LEU 14 HB2 LEU 14 2.977 21.749 0.648 123 HB3 LEU 14 HB3 LEU 14 1.947 23.102 0.183 124 HG LEU 14 HG LEU 14 1.928 20.332 -1.015 125 HD11 LEU 14 HD11 LEU 14 0.907 20.819 1.308 126 HD12 LEU 14 HD12 LEU 14 -0.062 19.961 0.110 127 HD13 LEU 14 HD13 LEU 14 -0.338 21.678 0.401 128 HD21 LEU 14 HD21 LEU 14 0.950 21.202 -2.804 129 HD22 LEU 14 HD22 LEU 14 1.113 22.824 -2.131 130 HD23 LEU 14 HD23 LEU 14 -0.323 21.862 -1.778 131 H LEU 15 H LEU 15 5.661 21.562 -0.391 132 HA LEU 15 HA LEU 15 6.615 23.848 1.156 133 HB2 LEU 15 HB2 LEU 15 7.967 21.180 0.979 134 HB3 LEU 15 HB3 LEU 15 8.046 22.373 2.273 135 HG LEU 15 HG LEU 15 5.587 20.754 1.623 136 HD11 LEU 15 HD11 LEU 15 7.185 19.173 2.331 137 HD12 LEU 15 HD12 LEU 15 6.215 19.546 3.755 138 HD13 LEU 15 HD13 LEU 15 7.819 20.254 3.572 139 HD21 LEU 15 HD21 LEU 15 6.212 22.932 3.468 140 HD22 LEU 15 HD22 LEU 15 5.468 21.533 4.242 141 HD23 LEU 15 HD23 LEU 15 4.652 22.337 2.900 142 H GLY 16 H GLY 16 7.290 22.076 -1.751 143 HA2 GLY 16 HA2 GLY 16 9.964 22.725 -2.189 144 HA3 GLY 16 HA3 GLY 16 8.777 22.456 -3.457 145 H LYS 17 H LYS 17 7.057 24.628 -2.825 146 HA LYS 17 HA LYS 17 8.172 26.666 -4.347 147 HB2 LYS 17 HB2 LYS 17 6.309 28.069 -3.521 148 HB3 LYS 17 HB3 LYS 17 5.776 26.475 -4.039 149 HG2 LYS 17 HG2 LYS 17 6.115 25.928 -1.473 150 HG3 LYS 17 HG3 LYS 17 5.848 27.666 -1.325 151 HD2 LYS 17 HD2 LYS 17 3.832 27.103 -2.962 152 HD3 LYS 17 HD3 LYS 17 3.990 25.520 -2.199 153 HE2 LYS 17 HE2 LYS 17 3.994 26.860 0.016 154 HE3 LYS 17 HE3 LYS 17 3.313 28.162 -0.959 155 HZ1 LYS 17 HZ1 LYS 17 1.344 27.210 -0.729 156 HZ2 LYS 17 HZ2 LYS 17 2.015 25.907 0.117 157 HZ3 LYS 17 HZ3 LYS 17 1.896 25.850 -1.570 158 H PHE 18 H PHE 18 8.350 26.068 -0.917 159 HA PHE 18 HA PHE 18 9.649 28.651 -0.462 160 HB2 PHE 18 HB2 PHE 18 8.216 26.702 1.222 161 HB3 PHE 18 HB3 PHE 18 9.632 27.429 1.976 162 HD1 PHE 18 HD1 PHE 18 7.143 28.873 -0.384 163 HD2 PHE 18 HD2 PHE 18 8.837 28.951 3.520 164 HE1 PHE 18 HE1 PHE 18 5.823 30.881 0.145 165 HE2 PHE 18 HE2 PHE 18 7.519 30.958 4.056 166 HZ PHE 18 HZ PHE 18 6.009 31.925 2.368 167 H LEU 19 H LEU 19 10.311 25.248 -0.659 168 HA LEU 19 HA LEU 19 13.030 25.617 0.353 169 HB2 LEU 19 HB2 LEU 19 11.684 23.077 -0.547 170 HB3 LEU 19 HB3 LEU 19 13.201 23.218 0.339 171 HG LEU 19 HG LEU 19 10.548 24.088 1.470 172 HD11 LEU 19 HD11 LEU 19 11.354 21.766 2.763 173 HD12 LEU 19 HD12 LEU 19 11.572 21.421 1.048 174 HD13 LEU 19 HD13 LEU 19 9.999 21.944 1.648 175 HD21 LEU 19 HD21 LEU 19 11.641 24.426 3.443 176 HD22 LEU 19 HD22 LEU 19 12.944 24.818 2.320 177 HD23 LEU 19 HD23 LEU 19 12.888 23.231 3.088 178 H GLY 20 H GLY 20 12.063 26.691 -2.246 179 HA2 GLY 20 HA2 GLY 20 12.983 27.012 -4.328 180 HA3 GLY 20 HA3 GLY 20 14.351 26.045 -3.794 181 H ASN 21 H ASN 21 11.293 26.035 -5.447 182 HA ASN 21 HA ASN 21 11.789 23.250 -6.274 183 HB2 ASN 21 HB2 ASN 21 9.731 23.335 -5.042 184 HB3 ASN 21 HB3 ASN 21 9.181 24.741 -5.949 185 HD21 ASN 21 HD21 ASN 21 7.300 23.709 -6.591 186 HD22 ASN 21 HD22 ASN 21 7.294 22.460 -7.785 187 H ASN 22 H ASN 22 13.205 24.151 -7.925 188 HA ASN 22 HA ASN 22 12.178 25.868 -9.956 189 HB2 ASN 22 HB2 ASN 22 14.617 24.078 -9.909 190 HB3 ASN 22 HB3 ASN 22 14.261 25.243 -11.182 191 HD21 ASN 22 HD21 ASN 22 13.721 27.498 -10.238 192 HD22 ASN 22 HD22 ASN 22 14.837 28.077 -9.053 Start of MODEL 13 1 HA FME 1 HA FME 1 -0.674 -0.467 -1.553 2 HB2 FME 1 HB2 FME 1 1.358 -0.961 -0.094 3 HB3 FME 1 HB3 FME 1 1.903 -2.062 -1.408 4 HG2 FME 1 HG2 FME 1 -0.048 -3.510 -1.154 5 HG3 FME 1 HG3 FME 1 -0.873 -2.341 -0.061 6 HE1 FME 1 HE2 FME 1 -0.489 -5.226 1.944 7 HE2 FME 1 HE3 FME 1 0.890 -5.914 0.979 8 HE3 FME 1 HE8 FME 1 -0.519 -5.152 0.135 9 HF FME 1 HF FME 1 1.060 -2.487 -4.850 10 H GLU 2 H GLU 2 -0.758 1.316 -3.005 11 HA GLU 2 HA GLU 2 1.646 2.990 -2.675 12 HB2 GLU 2 HB2 GLU 2 -0.379 2.897 -4.899 13 HB3 GLU 2 HB3 GLU 2 0.630 4.312 -4.634 14 HG2 GLU 2 HG2 GLU 2 2.550 3.239 -5.275 15 HG3 GLU 2 HG3 GLU 2 1.925 1.643 -4.862 16 H PHE 3 H PHE 3 0.577 3.302 -0.506 17 HA PHE 3 HA PHE 3 -1.690 5.148 -0.582 18 HB2 PHE 3 HB2 PHE 3 -1.882 3.326 1.006 19 HB3 PHE 3 HB3 PHE 3 -0.329 3.742 1.724 20 HD1 PHE 3 HD1 PHE 3 -0.755 4.386 3.897 21 HD2 PHE 3 HD2 PHE 3 -3.214 5.891 0.765 22 HE1 PHE 3 HE1 PHE 3 -1.893 5.861 5.504 23 HE2 PHE 3 HE2 PHE 3 -4.355 7.368 2.367 24 HZ PHE 3 HZ PHE 3 -3.695 7.355 4.740 25 H VAL 4 H VAL 4 1.722 5.050 0.026 26 HA VAL 4 HA VAL 4 1.666 7.853 0.926 27 HB VAL 4 HB VAL 4 4.068 7.398 1.612 28 HG11 VAL 4 HG11 VAL 4 3.272 5.968 3.626 29 HG12 VAL 4 HG12 VAL 4 2.588 7.577 3.384 30 HG13 VAL 4 HG13 VAL 4 1.676 6.147 2.899 31 HG21 VAL 4 HG21 VAL 4 3.290 4.503 1.529 32 HG22 VAL 4 HG22 VAL 4 4.117 5.268 0.173 33 HG23 VAL 4 HG23 VAL 4 4.886 5.216 1.758 34 H ALA 5 H ALA 5 2.695 5.713 -1.578 35 HA ALA 5 HA ALA 5 4.793 7.057 -2.760 36 HB1 ALA 5 HB1 ALA 5 2.704 5.931 -4.547 37 HB2 ALA 5 HB2 ALA 5 4.456 5.732 -4.586 38 HB3 ALA 5 HB3 ALA 5 3.494 4.847 -3.402 39 H LYS 6 H LYS 6 1.400 7.867 -2.738 40 HA LYS 6 HA LYS 6 1.896 10.102 -4.581 41 HB2 LYS 6 HB2 LYS 6 0.045 8.604 -5.189 42 HB3 LYS 6 HB3 LYS 6 -0.720 8.915 -3.637 43 HG2 LYS 6 HG2 LYS 6 -0.379 11.440 -4.624 44 HG3 LYS 6 HG3 LYS 6 -0.719 10.505 -6.082 45 HD2 LYS 6 HD2 LYS 6 -2.844 10.005 -5.430 46 HD3 LYS 6 HD3 LYS 6 -2.432 10.002 -3.713 47 HE2 LYS 6 HE2 LYS 6 -3.716 11.907 -3.872 48 HE3 LYS 6 HE3 LYS 6 -2.093 12.562 -4.082 49 HZ1 LYS 6 HZ1 LYS 6 -4.121 12.037 -6.176 50 HZ2 LYS 6 HZ2 LYS 6 -2.497 12.342 -6.536 51 HZ3 LYS 6 HZ3 LYS 6 -3.425 13.519 -5.751 52 H LEU 7 H LEU 7 0.701 9.293 -1.370 53 HA LEU 7 HA LEU 7 -0.155 11.866 -0.619 54 HB2 LEU 7 HB2 LEU 7 -0.319 9.445 0.510 55 HB3 LEU 7 HB3 LEU 7 1.021 10.103 1.446 56 HG LEU 7 HG LEU 7 -1.122 10.387 2.590 57 HD11 LEU 7 HD11 LEU 7 -0.372 12.282 3.475 58 HD12 LEU 7 HD12 LEU 7 -0.668 13.180 1.987 59 HD13 LEU 7 HD13 LEU 7 0.845 12.299 2.199 60 HD21 LEU 7 HD21 LEU 7 -2.032 12.442 0.666 61 HD22 LEU 7 HD22 LEU 7 -2.965 11.348 1.688 62 HD23 LEU 7 HD23 LEU 7 -2.240 10.756 0.192 63 H PHE 8 H PHE 8 2.830 10.176 0.371 64 HA PHE 8 HA PHE 8 4.087 12.360 1.539 65 HB2 PHE 8 HB2 PHE 8 5.038 9.785 0.368 66 HB3 PHE 8 HB3 PHE 8 6.236 11.015 0.757 67 HD1 PHE 8 HD1 PHE 8 3.100 10.068 2.521 68 HD2 PHE 8 HD2 PHE 8 7.351 10.255 2.631 69 HE1 PHE 8 HE1 PHE 8 3.067 9.349 4.874 70 HE2 PHE 8 HE2 PHE 8 7.325 9.536 4.984 71 HZ PHE 8 HZ PHE 8 5.181 9.081 6.108 72 H LYS 9 H LYS 9 3.754 11.495 -1.811 73 HA LYS 9 HA LYS 9 5.807 13.247 -2.775 74 HB2 LYS 9 HB2 LYS 9 4.669 11.143 -3.892 75 HB3 LYS 9 HB3 LYS 9 3.539 12.346 -4.501 76 HG2 LYS 9 HG2 LYS 9 6.464 12.800 -4.836 77 HG3 LYS 9 HG3 LYS 9 5.634 11.659 -5.896 78 HD2 LYS 9 HD2 LYS 9 3.923 13.643 -6.143 79 HD3 LYS 9 HD3 LYS 9 5.315 14.613 -5.654 80 HE2 LYS 9 HE2 LYS 9 6.548 13.230 -7.498 81 HE3 LYS 9 HE3 LYS 9 4.917 12.954 -8.106 82 HZ1 LYS 9 HZ1 LYS 9 5.334 14.867 -9.188 83 HZ2 LYS 9 HZ2 LYS 9 6.498 15.391 -8.079 84 HZ3 LYS 9 HZ3 LYS 9 4.854 15.580 -7.731 85 H PHE 10 H PHE 10 2.347 13.469 -2.231 86 HA PHE 10 HA PHE 10 1.761 15.773 -3.667 87 HB2 PHE 10 HB2 PHE 10 0.244 14.157 -2.249 88 HB3 PHE 10 HB3 PHE 10 0.521 15.342 -0.977 89 HD1 PHE 10 HD1 PHE 10 -1.419 14.495 -3.826 90 HD2 PHE 10 HD2 PHE 10 -0.026 17.788 -1.518 91 HE1 PHE 10 HE1 PHE 10 -3.214 15.900 -4.754 92 HE2 PHE 10 HE2 PHE 10 -1.818 19.198 -2.440 93 HZ PHE 10 HZ PHE 10 -3.416 18.255 -4.060 94 H PHE 11 H PHE 11 3.162 15.404 -0.453 95 HA PHE 11 HA PHE 11 3.141 18.215 0.117 96 HB2 PHE 11 HB2 PHE 11 4.223 15.771 1.450 97 HB3 PHE 11 HB3 PHE 11 4.860 17.341 1.931 98 HD1 PHE 11 HD1 PHE 11 3.826 18.444 3.655 99 HD2 PHE 11 HD2 PHE 11 1.582 15.660 1.347 100 HE1 PHE 11 HE1 PHE 11 1.894 18.775 5.142 101 HE2 PHE 11 HE2 PHE 11 -0.354 15.987 2.830 102 HZ PHE 11 HZ PHE 11 -0.200 17.546 4.730 103 H LYS 12 H LYS 12 5.453 15.909 -1.173 104 HA LYS 12 HA LYS 12 7.787 17.418 -1.006 105 HB2 LYS 12 HB2 LYS 12 7.569 15.001 -1.711 106 HB3 LYS 12 HB3 LYS 12 7.070 15.582 -3.294 107 HG2 LYS 12 HG2 LYS 12 9.178 16.537 -3.722 108 HG3 LYS 12 HG3 LYS 12 9.674 16.388 -2.035 109 HD2 LYS 12 HD2 LYS 12 9.453 13.880 -2.338 110 HD3 LYS 12 HD3 LYS 12 9.312 14.198 -4.068 111 HE2 LYS 12 HE2 LYS 12 11.590 15.397 -2.571 112 HE3 LYS 12 HE3 LYS 12 11.643 13.677 -2.952 113 HZ1 LYS 12 HZ1 LYS 12 11.609 14.105 -5.226 114 HZ2 LYS 12 HZ2 LYS 12 12.659 15.284 -4.618 115 HZ3 LYS 12 HZ3 LYS 12 11.071 15.697 -5.031 116 H ASP 13 H ASP 13 5.130 17.579 -3.282 117 HA ASP 13 HA ASP 13 6.426 19.239 -5.190 118 HB2 ASP 13 HB2 ASP 13 4.280 17.821 -5.459 119 HB3 ASP 13 HB3 ASP 13 3.452 19.201 -4.742 120 H LEU 14 H LEU 14 4.611 19.847 -2.259 121 HA LEU 14 HA LEU 14 4.303 22.655 -2.696 122 HB2 LEU 14 HB2 LEU 14 4.234 21.270 -0.033 123 HB3 LEU 14 HB3 LEU 14 3.412 22.753 -0.513 124 HG LEU 14 HG LEU 14 2.739 19.983 -1.503 125 HD11 LEU 14 HD11 LEU 14 2.237 20.862 0.972 126 HD12 LEU 14 HD12 LEU 14 1.128 19.824 0.076 127 HD13 LEU 14 HD13 LEU 14 0.854 21.565 0.132 128 HD21 LEU 14 HD21 LEU 14 0.659 21.222 -2.286 129 HD22 LEU 14 HD22 LEU 14 2.141 21.489 -3.204 130 HD23 LEU 14 HD23 LEU 14 1.587 22.703 -2.050 131 H LEU 15 H LEU 15 6.655 20.619 -1.061 132 HA LEU 15 HA LEU 15 8.073 22.825 0.115 133 HB2 LEU 15 HB2 LEU 15 9.012 19.991 -0.283 134 HB3 LEU 15 HB3 LEU 15 9.677 21.182 0.833 135 HG LEU 15 HG LEU 15 6.874 20.101 1.057 136 HD11 LEU 15 HD11 LEU 15 8.317 18.213 1.282 137 HD12 LEU 15 HD12 LEU 15 7.808 18.699 2.899 138 HD13 LEU 15 HD13 LEU 15 9.423 19.111 2.321 139 HD21 LEU 15 HD21 LEU 15 8.605 21.919 2.641 140 HD22 LEU 15 HD22 LEU 15 7.538 20.825 3.521 141 HD23 LEU 15 HD23 LEU 15 6.865 21.970 2.358 142 H GLY 16 H GLY 16 8.447 20.773 -2.733 143 HA2 GLY 16 HA2 GLY 16 11.003 21.697 -3.501 144 HA3 GLY 16 HA3 GLY 16 9.825 20.937 -4.562 145 H LYS 17 H LYS 17 7.824 23.051 -3.891 146 HA LYS 17 HA LYS 17 8.754 24.987 -5.861 147 HB2 LYS 17 HB2 LYS 17 6.058 24.406 -4.645 148 HB3 LYS 17 HB3 LYS 17 6.343 25.805 -5.672 149 HG2 LYS 17 HG2 LYS 17 6.948 23.003 -6.565 150 HG3 LYS 17 HG3 LYS 17 5.365 23.754 -6.782 151 HD2 LYS 17 HD2 LYS 17 6.413 25.570 -8.057 152 HD3 LYS 17 HD3 LYS 17 7.989 24.802 -7.849 153 HE2 LYS 17 HE2 LYS 17 6.691 22.736 -8.894 154 HE3 LYS 17 HE3 LYS 17 5.699 24.024 -9.575 155 HZ1 LYS 17 HZ1 LYS 17 7.457 23.474 -11.090 156 HZ2 LYS 17 HZ2 LYS 17 8.633 23.699 -9.896 157 HZ3 LYS 17 HZ3 LYS 17 7.746 25.021 -10.469 158 H PHE 18 H PHE 18 7.186 25.072 -2.658 159 HA PHE 18 HA PHE 18 7.424 27.804 -2.205 160 HB2 PHE 18 HB2 PHE 18 6.175 25.996 -0.840 161 HB3 PHE 18 HB3 PHE 18 7.702 25.792 0.013 162 HD1 PHE 18 HD1 PHE 18 4.670 27.606 -0.148 163 HD2 PHE 18 HD2 PHE 18 8.749 27.924 1.028 164 HE1 PHE 18 HE1 PHE 18 4.097 29.498 1.317 165 HE2 PHE 18 HE2 PHE 18 8.182 29.816 2.495 166 HZ PHE 18 HZ PHE 18 5.853 30.605 2.642 167 H LEU 19 H LEU 19 9.720 25.196 -1.585 168 HA LEU 19 HA LEU 19 11.695 27.160 -0.663 169 HB2 LEU 19 HB2 LEU 19 11.894 24.156 -0.604 170 HB3 LEU 19 HB3 LEU 19 12.944 25.311 0.215 171 HG LEU 19 HG LEU 19 10.033 25.194 0.895 172 HD11 LEU 19 HD11 LEU 19 11.254 23.670 2.819 173 HD12 LEU 19 HD12 LEU 19 11.997 23.087 1.330 174 HD13 LEU 19 HD13 LEU 19 10.243 23.060 1.509 175 HD21 LEU 19 HD21 LEU 19 12.546 25.945 2.380 176 HD22 LEU 19 HD22 LEU 19 10.939 25.885 3.104 177 HD23 LEU 19 HD23 LEU 19 11.279 27.031 1.807 178 H GLY 20 H GLY 20 10.863 26.758 -3.485 179 HA2 GLY 20 HA2 GLY 20 13.422 25.811 -4.610 180 HA3 GLY 20 HA3 GLY 20 11.895 25.830 -5.479 181 H ASN 21 H ASN 21 10.938 28.316 -5.115 182 HA ASN 21 HA ASN 21 13.081 30.157 -5.907 183 HB2 ASN 21 HB2 ASN 21 11.844 29.138 -7.909 184 HB3 ASN 21 HB3 ASN 21 10.452 30.079 -7.381 185 HD21 ASN 21 HD21 ASN 21 11.044 30.755 -9.734 186 HD22 ASN 21 HD22 ASN 21 12.004 32.187 -9.849 187 H ASN 22 H ASN 22 13.004 31.933 -4.712 188 HA ASN 22 HA ASN 22 10.396 32.980 -3.870 189 HB2 ASN 22 HB2 ASN 22 11.421 33.513 -1.625 190 HB3 ASN 22 HB3 ASN 22 11.141 31.801 -1.928 191 HD21 ASN 22 HD21 ASN 22 12.707 31.520 -0.207 192 HD22 ASN 22 HD22 ASN 22 14.392 31.557 -0.588 Start of MODEL 14 1 HA FME 1 HA FME 1 3.243 1.356 -0.498 2 HB2 FME 1 HB2 FME 1 5.443 1.464 0.449 3 HB3 FME 1 HB3 FME 1 4.919 3.072 -0.165 4 HG2 FME 1 HG2 FME 1 6.407 2.911 -2.119 5 HG3 FME 1 HG3 FME 1 6.829 1.202 -1.739 6 HE1 FME 1 HE2 FME 1 7.152 4.667 -1.503 7 HE2 FME 1 HE3 FME 1 8.911 4.778 -1.055 8 HE3 FME 1 HE8 FME 1 7.635 5.139 0.177 9 HF FME 1 HF FME 1 3.547 -1.769 -2.407 10 H GLU 2 H GLU 2 1.799 1.191 -2.318 11 HA GLU 2 HA GLU 2 2.234 3.333 -4.274 12 HB2 GLU 2 HB2 GLU 2 0.320 2.394 -5.474 13 HB3 GLU 2 HB3 GLU 2 1.545 1.167 -5.181 14 HG2 GLU 2 HG2 GLU 2 -0.244 -0.044 -4.561 15 HG3 GLU 2 HG3 GLU 2 0.026 0.771 -3.022 16 H PHE 3 H PHE 3 1.584 3.740 -1.408 17 HA PHE 3 HA PHE 3 -1.002 5.116 -1.715 18 HB2 PHE 3 HB2 PHE 3 -1.149 3.436 0.006 19 HB3 PHE 3 HB3 PHE 3 0.334 4.011 0.760 20 HD1 PHE 3 HD1 PHE 3 -0.216 4.801 2.852 21 HD2 PHE 3 HD2 PHE 3 -2.668 5.844 -0.467 22 HE1 PHE 3 HE1 PHE 3 -1.531 6.295 4.298 23 HE2 PHE 3 HE2 PHE 3 -3.986 7.341 0.974 24 HZ PHE 3 HZ PHE 3 -3.418 7.568 3.359 25 H VAL 4 H VAL 4 2.279 5.381 -0.438 26 HA VAL 4 HA VAL 4 1.929 8.165 0.268 27 HB VAL 4 HB VAL 4 4.365 8.077 0.810 28 HG11 VAL 4 HG11 VAL 4 4.041 6.265 2.641 29 HG12 VAL 4 HG12 VAL 4 3.024 7.706 2.659 30 HG13 VAL 4 HG13 VAL 4 2.392 6.187 2.024 31 HG21 VAL 4 HG21 VAL 4 4.345 5.124 0.561 32 HG22 VAL 4 HG22 VAL 4 4.561 6.059 -0.919 33 HG23 VAL 4 HG23 VAL 4 5.684 6.264 0.426 34 H ALA 5 H ALA 5 2.948 6.344 -2.462 35 HA ALA 5 HA ALA 5 4.751 8.000 -3.733 36 HB1 ALA 5 HB1 ALA 5 4.547 6.472 -5.328 37 HB2 ALA 5 HB2 ALA 5 3.205 5.763 -4.429 38 HB3 ALA 5 HB3 ALA 5 2.893 6.984 -5.663 39 H LYS 6 H LYS 6 1.313 8.406 -3.315 40 HA LYS 6 HA LYS 6 1.393 10.833 -4.978 41 HB2 LYS 6 HB2 LYS 6 -0.904 9.069 -4.131 42 HB3 LYS 6 HB3 LYS 6 -1.135 10.644 -4.878 43 HG2 LYS 6 HG2 LYS 6 0.369 8.359 -6.134 44 HG3 LYS 6 HG3 LYS 6 -1.316 8.765 -6.466 45 HD2 LYS 6 HD2 LYS 6 -0.590 11.002 -7.225 46 HD3 LYS 6 HD3 LYS 6 1.088 10.521 -6.965 47 HE2 LYS 6 HE2 LYS 6 0.868 10.082 -9.204 48 HE3 LYS 6 HE3 LYS 6 0.422 8.518 -8.525 49 HZ1 LYS 6 HZ1 LYS 6 -1.360 10.611 -9.619 50 HZ2 LYS 6 HZ2 LYS 6 -1.945 9.369 -8.631 51 HZ3 LYS 6 HZ3 LYS 6 -1.210 8.998 -10.109 52 H LEU 7 H LEU 7 0.532 9.557 -1.817 53 HA LEU 7 HA LEU 7 -0.621 11.898 -0.759 54 HB2 LEU 7 HB2 LEU 7 -0.371 9.373 0.114 55 HB3 LEU 7 HB3 LEU 7 0.904 10.137 1.061 56 HG LEU 7 HG LEU 7 -1.193 9.981 2.308 57 HD11 LEU 7 HD11 LEU 7 -0.704 11.885 3.348 58 HD12 LEU 7 HD12 LEU 7 -1.187 12.857 1.958 59 HD13 LEU 7 HD13 LEU 7 0.445 12.195 2.045 60 HD21 LEU 7 HD21 LEU 7 -2.447 12.005 0.511 61 HD22 LEU 7 HD22 LEU 7 -3.202 10.859 1.619 62 HD23 LEU 7 HD23 LEU 7 -2.538 10.295 0.085 63 H PHE 8 H PHE 8 2.620 10.554 -0.102 64 HA PHE 8 HA PHE 8 3.625 12.809 1.202 65 HB2 PHE 8 HB2 PHE 8 4.841 10.438 -0.137 66 HB3 PHE 8 HB3 PHE 8 5.894 11.788 0.269 67 HD1 PHE 8 HD1 PHE 8 3.020 10.183 2.025 68 HD2 PHE 8 HD2 PHE 8 7.131 11.282 2.132 69 HE1 PHE 8 HE1 PHE 8 3.177 9.357 4.337 70 HE2 PHE 8 HE2 PHE 8 7.295 10.457 4.444 71 HZ PHE 8 HZ PHE 8 5.317 9.493 5.550 72 H LYS 9 H LYS 9 3.635 11.932 -2.215 73 HA LYS 9 HA LYS 9 5.309 14.011 -3.118 74 HB2 LYS 9 HB2 LYS 9 4.402 11.871 -4.332 75 HB3 LYS 9 HB3 LYS 9 3.083 12.932 -4.808 76 HG2 LYS 9 HG2 LYS 9 4.772 14.491 -5.767 77 HG3 LYS 9 HG3 LYS 9 6.008 13.279 -5.421 78 HD2 LYS 9 HD2 LYS 9 4.632 11.665 -6.795 79 HD3 LYS 9 HD3 LYS 9 3.665 13.053 -7.299 80 HE2 LYS 9 HE2 LYS 9 5.195 12.968 -9.003 81 HE3 LYS 9 HE3 LYS 9 6.012 14.067 -7.893 82 HZ1 LYS 9 HZ1 LYS 9 6.562 11.237 -7.525 83 HZ2 LYS 9 HZ2 LYS 9 7.607 12.564 -7.436 84 HZ3 LYS 9 HZ3 LYS 9 7.174 11.928 -8.943 85 H PHE 10 H PHE 10 1.942 13.909 -2.265 86 HA PHE 10 HA PHE 10 1.108 16.251 -3.615 87 HB2 PHE 10 HB2 PHE 10 -0.354 14.426 -2.574 88 HB3 PHE 10 HB3 PHE 10 -0.076 15.236 -1.035 89 HD1 PHE 10 HD1 PHE 10 -1.728 15.428 -4.284 90 HD2 PHE 10 HD2 PHE 10 -1.045 17.406 -0.578 91 HE1 PHE 10 HE1 PHE 10 -3.585 16.969 -4.768 92 HE2 PHE 10 HE2 PHE 10 -2.901 18.949 -1.055 93 HZ PHE 10 HZ PHE 10 -4.174 18.731 -3.152 94 H PHE 11 H PHE 11 2.057 15.704 -0.226 95 HA PHE 11 HA PHE 11 1.865 18.388 0.582 96 HB2 PHE 11 HB2 PHE 11 3.158 15.933 1.659 97 HB3 PHE 11 HB3 PHE 11 3.682 17.480 2.315 98 HD1 PHE 11 HD1 PHE 11 2.491 18.460 4.036 99 HD2 PHE 11 HD2 PHE 11 0.610 15.500 1.624 100 HE1 PHE 11 HE1 PHE 11 0.537 18.488 5.531 101 HE2 PHE 11 HE2 PHE 11 -1.347 15.524 3.114 102 HZ PHE 11 HZ PHE 11 -1.385 17.020 5.071 103 H LYS 12 H LYS 12 4.503 16.537 -0.831 104 HA LYS 12 HA LYS 12 6.614 18.292 -0.421 105 HB2 LYS 12 HB2 LYS 12 6.681 15.959 -1.429 106 HB3 LYS 12 HB3 LYS 12 6.211 16.701 -2.952 107 HG2 LYS 12 HG2 LYS 12 8.238 17.703 -3.253 108 HG3 LYS 12 HG3 LYS 12 8.568 17.807 -1.522 109 HD2 LYS 12 HD2 LYS 12 10.057 16.186 -2.445 110 HD3 LYS 12 HD3 LYS 12 8.836 15.315 -1.514 111 HE2 LYS 12 HE2 LYS 12 9.079 14.106 -3.519 112 HE3 LYS 12 HE3 LYS 12 7.586 15.026 -3.703 113 HZ1 LYS 12 HZ1 LYS 12 8.797 15.233 -5.709 114 HZ2 LYS 12 HZ2 LYS 12 10.230 15.626 -4.902 115 HZ3 LYS 12 HZ3 LYS 12 8.939 16.719 -4.913 116 H ASP 13 H ASP 13 4.033 18.386 -2.795 117 HA ASP 13 HA ASP 13 5.158 20.422 -4.425 118 HB2 ASP 13 HB2 ASP 13 2.476 19.155 -4.132 119 HB3 ASP 13 HB3 ASP 13 2.564 20.705 -4.963 120 H LEU 14 H LEU 14 3.057 20.435 -1.601 121 HA LEU 14 HA LEU 14 2.360 23.170 -1.688 122 HB2 LEU 14 HB2 LEU 14 2.605 21.468 0.782 123 HB3 LEU 14 HB3 LEU 14 1.596 22.896 0.557 124 HG LEU 14 HG LEU 14 1.202 20.222 -0.786 125 HD11 LEU 14 HD11 LEU 14 0.694 20.296 1.649 126 HD12 LEU 14 HD12 LEU 14 -0.707 19.966 0.631 127 HD13 LEU 14 HD13 LEU 14 -0.477 21.574 1.318 128 HD21 LEU 14 HD21 LEU 14 -0.136 22.879 -1.073 129 HD22 LEU 14 HD22 LEU 14 -1.062 21.394 -1.298 130 HD23 LEU 14 HD23 LEU 14 0.341 21.722 -2.316 131 H LEU 15 H LEU 15 4.974 21.427 -0.050 132 HA LEU 15 HA LEU 15 6.047 23.781 1.178 133 HB2 LEU 15 HB2 LEU 15 7.479 21.177 0.715 134 HB3 LEU 15 HB3 LEU 15 7.811 22.389 1.951 135 HG LEU 15 HG LEU 15 5.342 20.656 1.842 136 HD11 LEU 15 HD11 LEU 15 7.081 19.191 2.370 137 HD12 LEU 15 HD12 LEU 15 6.441 19.684 3.937 138 HD13 LEU 15 HD13 LEU 15 7.933 20.400 3.330 139 HD21 LEU 15 HD21 LEU 15 6.191 22.940 3.501 140 HD22 LEU 15 HD22 LEU 15 5.518 21.561 4.371 141 HD23 LEU 15 HD23 LEU 15 4.574 22.356 3.110 142 H GLY 16 H GLY 16 6.551 22.068 -1.822 143 HA2 GLY 16 HA2 GLY 16 9.045 22.982 -2.598 144 HA3 GLY 16 HA3 GLY 16 7.724 22.650 -3.709 145 H LYS 17 H LYS 17 6.048 24.742 -2.404 146 HA LYS 17 HA LYS 17 6.680 26.878 -4.122 147 HB2 LYS 17 HB2 LYS 17 4.438 26.237 -2.951 148 HB3 LYS 17 HB3 LYS 17 5.030 27.255 -1.645 149 HG2 LYS 17 HG2 LYS 17 5.029 28.343 -4.414 150 HG3 LYS 17 HG3 LYS 17 3.499 28.224 -3.541 151 HD2 LYS 17 HD2 LYS 17 4.163 29.732 -1.913 152 HD3 LYS 17 HD3 LYS 17 5.880 29.465 -2.222 153 HE2 LYS 17 HE2 LYS 17 5.426 31.595 -3.100 154 HE3 LYS 17 HE3 LYS 17 5.472 30.523 -4.500 155 HZ1 LYS 17 HZ1 LYS 17 2.848 30.597 -3.528 156 HZ2 LYS 17 HZ2 LYS 17 3.431 31.161 -5.012 157 HZ3 LYS 17 HZ3 LYS 17 3.389 32.193 -3.672 158 H PHE 18 H PHE 18 7.173 26.455 -0.633 159 HA PHE 18 HA PHE 18 8.538 28.998 -0.418 160 HB2 PHE 18 HB2 PHE 18 7.053 27.964 1.384 161 HB3 PHE 18 HB3 PHE 18 8.385 26.858 1.702 162 HD1 PHE 18 HD1 PHE 18 7.903 30.531 1.221 163 HD2 PHE 18 HD2 PHE 18 9.738 27.410 3.459 164 HE1 PHE 18 HE1 PHE 18 8.930 32.204 2.705 165 HE2 PHE 18 HE2 PHE 18 10.767 29.078 4.947 166 HZ PHE 18 HZ PHE 18 10.363 31.478 4.571 167 H LEU 19 H LEU 19 9.345 25.605 -0.642 168 HA LEU 19 HA LEU 19 12.048 25.794 0.161 169 HB2 LEU 19 HB2 LEU 19 10.489 23.819 -1.464 170 HB3 LEU 19 HB3 LEU 19 12.234 23.657 -1.278 171 HG LEU 19 HG LEU 19 10.469 23.863 1.133 172 HD11 LEU 19 HD11 LEU 19 11.145 21.144 0.436 173 HD12 LEU 19 HD12 LEU 19 10.121 21.890 -0.790 174 HD13 LEU 19 HD13 LEU 19 9.589 21.839 0.890 175 HD21 LEU 19 HD21 LEU 19 12.821 22.095 1.010 176 HD22 LEU 19 HD22 LEU 19 12.293 23.201 2.279 177 HD23 LEU 19 HD23 LEU 19 13.153 23.822 0.869 178 H GLY 20 H GLY 20 10.549 25.742 -3.072 179 HA2 GLY 20 HA2 GLY 20 11.271 26.613 -5.072 180 HA3 GLY 20 HA3 GLY 20 12.386 27.608 -4.146 181 H ASN 21 H ASN 21 11.948 24.301 -5.369 182 HA ASN 21 HA ASN 21 14.871 24.158 -5.719 183 HB2 ASN 21 HB2 ASN 21 14.893 21.895 -5.113 184 HB3 ASN 21 HB3 ASN 21 13.770 22.613 -3.961 185 HD21 ASN 21 HD21 ASN 21 11.641 22.051 -4.009 186 HD22 ASN 21 HD22 ASN 21 11.011 20.795 -5.014 187 H ASN 22 H ASN 22 15.624 23.618 -7.691 188 HA ASN 22 HA ASN 22 13.725 23.481 -9.866 189 HB2 ASN 22 HB2 ASN 22 15.717 24.862 -10.123 190 HB3 ASN 22 HB3 ASN 22 16.751 23.461 -9.858 191 HD21 ASN 22 HD21 ASN 22 13.907 24.149 -11.871 192 HD22 ASN 22 HD22 ASN 22 14.608 23.592 -13.348 Start of MODEL 15 1 HA FME 1 HA FME 1 2.063 -0.514 -1.349 2 HB2 FME 1 HB2 FME 1 -0.476 -1.779 -2.491 3 HB3 FME 1 HB3 FME 1 0.844 -2.670 -1.656 4 HG2 FME 1 HG2 FME 1 2.489 -2.032 -3.358 5 HG3 FME 1 HG3 FME 1 1.345 -0.880 -4.136 6 HE1 FME 1 HE2 FME 1 1.696 -3.866 -6.733 7 HE2 FME 1 HE3 FME 1 2.978 -3.403 -5.530 8 HE3 FME 1 HE8 FME 1 2.002 -2.121 -6.357 9 HF FME 1 HF FME 1 0.565 0.060 1.969 10 H GLU 2 H GLU 2 2.559 1.243 -2.136 11 HA GLU 2 HA GLU 2 2.468 3.348 -3.003 12 HB2 GLU 2 HB2 GLU 2 0.077 2.107 -4.369 13 HB3 GLU 2 HB3 GLU 2 0.724 3.687 -4.787 14 HG2 GLU 2 HG2 GLU 2 2.910 2.574 -5.262 15 HG3 GLU 2 HG3 GLU 2 2.096 1.026 -5.044 16 H PHE 3 H PHE 3 1.612 3.433 -0.500 17 HA PHE 3 HA PHE 3 -0.934 4.895 -0.493 18 HB2 PHE 3 HB2 PHE 3 -0.731 3.015 1.094 19 HB3 PHE 3 HB3 PHE 3 0.660 3.799 1.834 20 HD1 PHE 3 HD1 PHE 3 -2.608 5.196 0.730 21 HD2 PHE 3 HD2 PHE 3 0.027 4.387 3.973 22 HE1 PHE 3 HE1 PHE 3 -4.111 6.415 2.250 23 HE2 PHE 3 HE2 PHE 3 -1.472 5.604 5.499 24 HZ PHE 3 HZ PHE 3 -3.544 6.619 4.638 25 H VAL 4 H VAL 4 2.478 5.242 -0.013 26 HA VAL 4 HA VAL 4 2.095 8.016 0.898 27 HB VAL 4 HB VAL 4 4.561 7.878 1.487 28 HG11 VAL 4 HG11 VAL 4 4.044 6.380 3.533 29 HG12 VAL 4 HG12 VAL 4 3.123 7.868 3.309 30 HG13 VAL 4 HG13 VAL 4 2.413 6.315 2.867 31 HG21 VAL 4 HG21 VAL 4 4.443 5.502 0.104 32 HG22 VAL 4 HG22 VAL 4 5.750 6.011 1.173 33 HG23 VAL 4 HG23 VAL 4 4.457 4.983 1.789 34 H ALA 5 H ALA 5 3.286 6.024 -1.654 35 HA ALA 5 HA ALA 5 5.147 7.621 -2.914 36 HB1 ALA 5 HB1 ALA 5 5.021 6.108 -4.552 37 HB2 ALA 5 HB2 ALA 5 3.848 5.284 -3.523 38 HB3 ALA 5 HB3 ALA 5 3.294 6.378 -4.790 39 H LYS 6 H LYS 6 1.682 7.996 -2.752 40 HA LYS 6 HA LYS 6 1.820 10.278 -4.599 41 HB2 LYS 6 HB2 LYS 6 0.151 8.565 -5.152 42 HB3 LYS 6 HB3 LYS 6 -0.583 8.760 -3.567 43 HG2 LYS 6 HG2 LYS 6 -0.613 11.316 -4.533 44 HG3 LYS 6 HG3 LYS 6 -0.890 10.356 -5.988 45 HD2 LYS 6 HD2 LYS 6 -2.907 9.593 -5.263 46 HD3 LYS 6 HD3 LYS 6 -2.423 9.605 -3.566 47 HE2 LYS 6 HE2 LYS 6 -2.766 12.179 -5.048 48 HE3 LYS 6 HE3 LYS 6 -4.178 11.324 -4.428 49 HZ1 LYS 6 HZ1 LYS 6 -2.196 12.845 -3.015 50 HZ2 LYS 6 HZ2 LYS 6 -2.475 11.329 -2.320 51 HZ3 LYS 6 HZ3 LYS 6 -3.760 12.406 -2.542 52 H LEU 7 H LEU 7 0.845 9.318 -1.354 53 HA LEU 7 HA LEU 7 -0.301 11.755 -0.551 54 HB2 LEU 7 HB2 LEU 7 -0.099 9.336 0.571 55 HB3 LEU 7 HB3 LEU 7 1.188 10.159 1.450 56 HG LEU 7 HG LEU 7 -0.918 10.165 2.693 57 HD11 LEU 7 HD11 LEU 7 -0.388 12.145 3.555 58 HD12 LEU 7 HD12 LEU 7 -0.848 12.994 2.079 59 HD13 LEU 7 HD13 LEU 7 0.770 12.309 2.234 60 HD21 LEU 7 HD21 LEU 7 -2.038 11.919 0.521 61 HD22 LEU 7 HD22 LEU 7 -2.874 11.253 1.924 62 HD23 LEU 7 HD23 LEU 7 -2.355 10.187 0.618 63 H PHE 8 H PHE 8 2.922 10.479 0.308 64 HA PHE 8 HA PHE 8 3.926 12.805 1.437 65 HB2 PHE 8 HB2 PHE 8 5.162 10.390 0.193 66 HB3 PHE 8 HB3 PHE 8 6.199 11.769 0.544 67 HD1 PHE 8 HD1 PHE 8 3.304 10.391 2.431 68 HD2 PHE 8 HD2 PHE 8 7.490 11.159 2.358 69 HE1 PHE 8 HE1 PHE 8 3.476 9.659 4.774 70 HE2 PHE 8 HE2 PHE 8 7.668 10.427 4.701 71 HZ PHE 8 HZ PHE 8 5.660 9.675 5.911 72 H LYS 9 H LYS 9 4.002 11.731 -1.933 73 HA LYS 9 HA LYS 9 5.597 13.834 -2.925 74 HB2 LYS 9 HB2 LYS 9 3.738 11.831 -4.119 75 HB3 LYS 9 HB3 LYS 9 4.221 13.203 -5.108 76 HG2 LYS 9 HG2 LYS 9 6.614 12.581 -4.544 77 HG3 LYS 9 HG3 LYS 9 5.960 11.068 -3.913 78 HD2 LYS 9 HD2 LYS 9 5.214 10.376 -6.014 79 HD3 LYS 9 HD3 LYS 9 5.280 12.010 -6.678 80 HE2 LYS 9 HE2 LYS 9 7.667 11.974 -6.715 81 HE3 LYS 9 HE3 LYS 9 7.714 10.466 -5.804 82 HZ1 LYS 9 HZ1 LYS 9 7.002 9.249 -7.624 83 HZ2 LYS 9 HZ2 LYS 9 8.048 10.377 -8.326 84 HZ3 LYS 9 HZ3 LYS 9 6.374 10.598 -8.429 85 H PHE 10 H PHE 10 2.151 13.535 -2.340 86 HA PHE 10 HA PHE 10 1.243 15.743 -3.789 87 HB2 PHE 10 HB2 PHE 10 -0.167 13.969 -2.665 88 HB3 PHE 10 HB3 PHE 10 0.111 14.815 -1.147 89 HD1 PHE 10 HD1 PHE 10 -1.750 14.744 -4.237 90 HD2 PHE 10 HD2 PHE 10 -0.760 17.119 -0.847 91 HE1 PHE 10 HE1 PHE 10 -3.659 16.220 -4.718 92 HE2 PHE 10 HE2 PHE 10 -2.668 18.599 -1.322 93 HZ PHE 10 HZ PHE 10 -4.121 18.149 -3.259 94 H PHE 11 H PHE 11 2.376 15.523 -0.434 95 HA PHE 11 HA PHE 11 2.008 18.308 0.090 96 HB2 PHE 11 HB2 PHE 11 3.184 15.990 1.539 97 HB3 PHE 11 HB3 PHE 11 3.690 17.599 2.041 98 HD1 PHE 11 HD1 PHE 11 2.147 19.116 3.100 99 HD2 PHE 11 HD2 PHE 11 0.892 15.255 1.825 100 HE1 PHE 11 HE1 PHE 11 0.097 19.343 4.442 101 HE2 PHE 11 HE2 PHE 11 -1.160 15.476 3.163 102 HZ PHE 11 HZ PHE 11 -1.560 17.522 4.474 103 H LYS 12 H LYS 12 4.755 16.273 -0.797 104 HA LYS 12 HA LYS 12 6.781 18.188 -0.523 105 HB2 LYS 12 HB2 LYS 12 6.986 15.663 -0.933 106 HB3 LYS 12 HB3 LYS 12 6.779 16.043 -2.638 107 HG2 LYS 12 HG2 LYS 12 9.057 16.010 -2.480 108 HG3 LYS 12 HG3 LYS 12 8.738 17.722 -2.188 109 HD2 LYS 12 HD2 LYS 12 9.210 17.562 0.062 110 HD3 LYS 12 HD3 LYS 12 8.829 15.840 0.128 111 HE2 LYS 12 HE2 LYS 12 11.119 15.784 0.280 112 HE3 LYS 12 HE3 LYS 12 10.899 15.634 -1.462 113 HZ1 LYS 12 HZ1 LYS 12 12.386 17.536 -0.137 114 HZ2 LYS 12 HZ2 LYS 12 11.017 18.362 -0.690 115 HZ3 LYS 12 HZ3 LYS 12 11.995 17.518 -1.783 116 H ASP 13 H ASP 13 4.365 17.743 -2.965 117 HA ASP 13 HA ASP 13 5.640 19.216 -5.036 118 HB2 ASP 13 HB2 ASP 13 3.677 17.588 -5.254 119 HB3 ASP 13 HB3 ASP 13 2.660 18.915 -4.700 120 H LEU 14 H LEU 14 3.405 20.066 -2.440 121 HA LEU 14 HA LEU 14 2.986 22.747 -3.281 122 HB2 LEU 14 HB2 LEU 14 2.764 21.732 -0.461 123 HB3 LEU 14 HB3 LEU 14 1.901 23.078 -1.203 124 HG LEU 14 HG LEU 14 1.497 20.218 -2.050 125 HD11 LEU 14 HD11 LEU 14 0.993 20.619 0.391 126 HD12 LEU 14 HD12 LEU 14 -0.354 20.046 -0.592 127 HD13 LEU 14 HD13 LEU 14 -0.252 21.748 -0.142 128 HD21 LEU 14 HD21 LEU 14 0.838 22.280 -3.475 129 HD22 LEU 14 HD22 LEU 14 -0.454 22.473 -2.290 130 HD23 LEU 14 HD23 LEU 14 -0.338 20.987 -3.233 131 H LEU 15 H LEU 15 5.257 21.206 -1.061 132 HA LEU 15 HA LEU 15 6.412 23.692 -0.203 133 HB2 LEU 15 HB2 LEU 15 7.581 20.932 0.069 134 HB3 LEU 15 HB3 LEU 15 7.965 22.360 1.029 135 HG LEU 15 HG LEU 15 5.349 20.854 1.071 136 HD11 LEU 15 HD11 LEU 15 7.012 19.533 2.136 137 HD12 LEU 15 HD12 LEU 15 6.085 20.325 3.409 138 HD13 LEU 15 HD13 LEU 15 7.681 20.934 2.973 139 HD21 LEU 15 HD21 LEU 15 6.175 23.475 2.085 140 HD22 LEU 15 HD22 LEU 15 5.424 22.432 3.293 141 HD23 LEU 15 HD23 LEU 15 4.561 22.820 1.804 142 H GLY 16 H GLY 16 7.009 21.361 -2.721 143 HA2 GLY 16 HA2 GLY 16 9.659 21.869 -3.359 144 HA3 GLY 16 HA3 GLY 16 8.426 21.416 -4.527 145 H LYS 17 H LYS 17 6.854 23.863 -3.901 146 HA LYS 17 HA LYS 17 7.937 25.533 -5.908 147 HB2 LYS 17 HB2 LYS 17 5.782 26.050 -3.853 148 HB3 LYS 17 HB3 LYS 17 6.158 27.139 -5.181 149 HG2 LYS 17 HG2 LYS 17 5.540 24.301 -5.810 150 HG3 LYS 17 HG3 LYS 17 4.217 25.378 -5.357 151 HD2 LYS 17 HD2 LYS 17 4.252 25.666 -7.638 152 HD3 LYS 17 HD3 LYS 17 5.322 26.972 -7.123 153 HE2 LYS 17 HE2 LYS 17 7.235 25.835 -7.798 154 HE3 LYS 17 HE3 LYS 17 6.426 24.269 -7.784 155 HZ1 LYS 17 HZ1 LYS 17 5.702 26.412 -9.694 156 HZ2 LYS 17 HZ2 LYS 17 5.300 24.771 -9.767 157 HZ3 LYS 17 HZ3 LYS 17 6.896 25.263 -10.033 158 H PHE 18 H PHE 18 8.108 25.572 -2.403 159 HA PHE 18 HA PHE 18 9.507 28.128 -2.406 160 HB2 PHE 18 HB2 PHE 18 7.803 27.640 -0.665 161 HB3 PHE 18 HB3 PHE 18 8.811 26.320 -0.082 162 HD1 PHE 18 HD1 PHE 18 9.015 29.973 -0.798 163 HD2 PHE 18 HD2 PHE 18 10.248 26.727 1.664 164 HE1 PHE 18 HE1 PHE 18 10.214 31.544 0.668 165 HE2 PHE 18 HE2 PHE 18 11.448 28.293 3.134 166 HZ PHE 18 HZ PHE 18 11.431 30.705 2.638 167 H LEU 19 H LEU 19 10.104 24.768 -1.406 168 HA LEU 19 HA LEU 19 12.750 25.079 -0.583 169 HB2 LEU 19 HB2 LEU 19 11.468 22.673 -1.870 170 HB3 LEU 19 HB3 LEU 19 12.975 22.668 -0.956 171 HG LEU 19 HG LEU 19 10.295 23.402 0.216 172 HD11 LEU 19 HD11 LEU 19 11.253 20.966 1.257 173 HD12 LEU 19 HD12 LEU 19 11.319 20.837 -0.500 174 HD13 LEU 19 HD13 LEU 19 9.800 21.245 0.297 175 HD21 LEU 19 HD21 LEU 19 12.663 22.481 1.771 176 HD22 LEU 19 HD22 LEU 19 11.338 23.540 2.253 177 HD23 LEU 19 HD23 LEU 19 12.614 24.148 1.198 178 H GLY 20 H GLY 20 11.375 24.748 -3.781 179 HA2 GLY 20 HA2 GLY 20 14.045 24.528 -4.972 180 HA3 GLY 20 HA3 GLY 20 12.518 24.313 -5.815 181 H ASN 21 H ASN 21 11.172 26.299 -6.071 182 HA ASN 21 HA ASN 21 12.789 28.391 -7.165 183 HB2 ASN 21 HB2 ASN 21 10.700 27.728 -8.250 184 HB3 ASN 21 HB3 ASN 21 9.788 28.198 -6.818 185 HD21 ASN 21 HD21 ASN 21 9.558 30.392 -6.325 186 HD22 ASN 21 HD22 ASN 21 9.817 31.619 -7.513 187 H ASN 22 H ASN 22 13.243 30.369 -6.365 188 HA ASN 22 HA ASN 22 12.933 30.823 -3.571 189 HB2 ASN 22 HB2 ASN 22 14.064 32.422 -5.850 190 HB3 ASN 22 HB3 ASN 22 13.864 33.153 -4.260 191 HD21 ASN 22 HD21 ASN 22 15.180 32.534 -2.591 192 HD22 ASN 22 HD22 ASN 22 16.571 31.532 -2.808 Start of MODEL 16 1 HA FME 1 HA FME 1 3.078 -0.447 -0.816 2 HB2 FME 1 HB2 FME 1 0.943 -1.288 -2.822 3 HB3 FME 1 HB3 FME 1 1.612 -2.392 -1.570 4 HG2 FME 1 HG2 FME 1 3.931 -2.044 -2.442 5 HG3 FME 1 HG3 FME 1 3.321 -0.890 -3.681 6 HE1 FME 1 HE2 FME 1 2.702 -4.240 -1.983 7 HE2 FME 1 HE3 FME 1 4.095 -4.764 -3.028 8 HE3 FME 1 HE8 FME 1 2.439 -5.435 -3.318 9 HF FME 1 HF FME 1 0.532 0.555 1.762 10 H GLU 2 H GLU 2 0.136 0.962 -2.243 11 HA GLU 2 HA GLU 2 1.815 3.267 -2.985 12 HB2 GLU 2 HB2 GLU 2 0.789 1.891 -4.860 13 HB3 GLU 2 HB3 GLU 2 -0.775 2.477 -4.313 14 HG2 GLU 2 HG2 GLU 2 -0.357 4.637 -4.991 15 HG3 GLU 2 HG3 GLU 2 1.392 4.426 -4.938 16 H PHE 3 H PHE 3 1.143 3.594 -0.547 17 HA PHE 3 HA PHE 3 -1.392 5.090 -0.479 18 HB2 PHE 3 HB2 PHE 3 -1.329 3.260 1.129 19 HB3 PHE 3 HB3 PHE 3 0.190 3.860 1.787 20 HD1 PHE 3 HD1 PHE 3 -0.239 4.494 3.963 21 HD2 PHE 3 HD2 PHE 3 -2.940 5.661 0.888 22 HE1 PHE 3 HE1 PHE 3 -1.482 5.868 5.581 23 HE2 PHE 3 HE2 PHE 3 -4.188 7.037 2.501 24 HZ PHE 3 HZ PHE 3 -3.459 7.143 4.851 25 H VAL 4 H VAL 4 2.041 5.277 -0.057 26 HA VAL 4 HA VAL 4 1.805 8.075 0.832 27 HB VAL 4 HB VAL 4 4.271 7.824 1.384 28 HG11 VAL 4 HG11 VAL 4 3.710 6.358 3.448 29 HG12 VAL 4 HG12 VAL 4 2.878 7.900 3.233 30 HG13 VAL 4 HG13 VAL 4 2.066 6.391 2.810 31 HG21 VAL 4 HG21 VAL 4 4.227 5.584 -0.039 32 HG22 VAL 4 HG22 VAL 4 5.338 5.810 1.312 33 HG23 VAL 4 HG23 VAL 4 3.851 4.889 1.538 34 H ALA 5 H ALA 5 2.852 6.006 -1.721 35 HA ALA 5 HA ALA 5 4.770 7.498 -3.025 36 HB1 ALA 5 HB1 ALA 5 2.642 6.169 -4.637 37 HB2 ALA 5 HB2 ALA 5 4.391 6.178 -4.868 38 HB3 ALA 5 HB3 ALA 5 3.674 5.191 -3.594 39 H LYS 6 H LYS 6 1.333 8.051 -2.804 40 HA LYS 6 HA LYS 6 1.554 10.309 -4.673 41 HB2 LYS 6 HB2 LYS 6 -0.328 8.330 -4.575 42 HB3 LYS 6 HB3 LYS 6 -1.113 9.602 -3.649 43 HG2 LYS 6 HG2 LYS 6 -1.472 10.872 -5.459 44 HG3 LYS 6 HG3 LYS 6 0.105 10.499 -6.159 45 HD2 LYS 6 HD2 LYS 6 -1.165 9.376 -7.662 46 HD3 LYS 6 HD3 LYS 6 -1.081 8.108 -6.437 47 HE2 LYS 6 HE2 LYS 6 -3.354 8.253 -6.993 48 HE3 LYS 6 HE3 LYS 6 -3.207 9.135 -5.473 49 HZ1 LYS 6 HZ1 LYS 6 -3.093 10.507 -8.091 50 HZ2 LYS 6 HZ2 LYS 6 -3.382 11.179 -6.567 51 HZ3 LYS 6 HZ3 LYS 6 -4.560 10.212 -7.302 52 H LEU 7 H LEU 7 0.569 9.419 -1.409 53 HA LEU 7 HA LEU 7 -0.443 11.909 -0.603 54 HB2 LEU 7 HB2 LEU 7 -0.334 9.496 0.535 55 HB3 LEU 7 HB3 LEU 7 1.015 10.257 1.377 56 HG LEU 7 HG LEU 7 -1.058 10.376 2.671 57 HD11 LEU 7 HD11 LEU 7 -0.420 12.338 3.505 58 HD12 LEU 7 HD12 LEU 7 -0.850 13.196 2.025 59 HD13 LEU 7 HD13 LEU 7 0.728 12.422 2.169 60 HD21 LEU 7 HD21 LEU 7 -2.322 10.727 0.297 61 HD22 LEU 7 HD22 LEU 7 -2.300 12.377 0.917 62 HD23 LEU 7 HD23 LEU 7 -3.033 11.086 1.870 63 H PHE 8 H PHE 8 2.737 10.501 0.206 64 HA PHE 8 HA PHE 8 3.866 12.781 1.303 65 HB2 PHE 8 HB2 PHE 8 4.970 10.320 0.026 66 HB3 PHE 8 HB3 PHE 8 6.071 11.654 0.352 67 HD1 PHE 8 HD1 PHE 8 3.170 10.396 2.312 68 HD2 PHE 8 HD2 PHE 8 7.382 10.983 2.131 69 HE1 PHE 8 HE1 PHE 8 3.370 9.653 4.649 70 HE2 PHE 8 HE2 PHE 8 7.589 10.240 4.467 71 HZ PHE 8 HZ PHE 8 5.582 9.573 5.729 72 H LYS 9 H LYS 9 3.978 11.658 -2.064 73 HA LYS 9 HA LYS 9 5.578 13.714 -3.086 74 HB2 LYS 9 HB2 LYS 9 3.998 11.550 -4.127 75 HB3 LYS 9 HB3 LYS 9 3.729 12.993 -5.096 76 HG2 LYS 9 HG2 LYS 9 5.549 12.325 -6.204 77 HG3 LYS 9 HG3 LYS 9 6.433 13.020 -4.843 78 HD2 LYS 9 HD2 LYS 9 7.355 10.987 -4.642 79 HD3 LYS 9 HD3 LYS 9 5.814 10.515 -3.922 80 HE2 LYS 9 HE2 LYS 9 6.332 8.920 -5.614 81 HE3 LYS 9 HE3 LYS 9 5.020 9.928 -6.223 82 HZ1 LYS 9 HZ1 LYS 9 7.809 10.619 -6.857 83 HZ2 LYS 9 HZ2 LYS 9 6.398 10.970 -7.720 84 HZ3 LYS 9 HZ3 LYS 9 7.029 9.401 -7.734 85 H PHE 10 H PHE 10 2.231 13.654 -2.195 86 HA PHE 10 HA PHE 10 1.324 15.849 -3.716 87 HB2 PHE 10 HB2 PHE 10 -0.065 14.129 -2.418 88 HB3 PHE 10 HB3 PHE 10 0.264 15.110 -0.994 89 HD1 PHE 10 HD1 PHE 10 -1.964 14.555 -3.634 90 HD2 PHE 10 HD2 PHE 10 -0.276 17.671 -1.276 91 HE1 PHE 10 HE1 PHE 10 -3.863 16.012 -4.206 92 HE2 PHE 10 HE2 PHE 10 -2.172 19.133 -1.844 93 HZ PHE 10 HZ PHE 10 -3.969 18.304 -3.310 94 H PHE 11 H PHE 11 2.602 15.634 -0.411 95 HA PHE 11 HA PHE 11 2.363 18.401 0.152 96 HB2 PHE 11 HB2 PHE 11 3.731 16.075 1.409 97 HB3 PHE 11 HB3 PHE 11 4.273 17.684 1.873 98 HD1 PHE 11 HD1 PHE 11 3.107 18.909 3.467 99 HD2 PHE 11 HD2 PHE 11 1.245 15.554 1.626 100 HE1 PHE 11 HE1 PHE 11 1.232 19.085 5.051 101 HE2 PHE 11 HE2 PHE 11 -0.633 15.725 3.207 102 HZ PHE 11 HZ PHE 11 -0.642 17.492 4.921 103 H LYS 12 H LYS 12 4.896 16.427 -1.264 104 HA LYS 12 HA LYS 12 7.034 18.204 -1.131 105 HB2 LYS 12 HB2 LYS 12 7.083 15.796 -1.899 106 HB3 LYS 12 HB3 LYS 12 6.464 16.353 -3.448 107 HG2 LYS 12 HG2 LYS 12 8.759 16.192 -3.776 108 HG3 LYS 12 HG3 LYS 12 8.491 17.913 -3.489 109 HD2 LYS 12 HD2 LYS 12 10.370 17.363 -2.188 110 HD3 LYS 12 HD3 LYS 12 9.025 17.421 -1.045 111 HE2 LYS 12 HE2 LYS 12 10.122 15.467 -0.448 112 HE3 LYS 12 HE3 LYS 12 8.837 14.883 -1.504 113 HZ1 LYS 12 HZ1 LYS 12 10.452 13.868 -2.619 114 HZ2 LYS 12 HZ2 LYS 12 11.675 14.742 -1.845 115 HZ3 LYS 12 HZ3 LYS 12 10.902 15.391 -3.203 116 H ASP 13 H ASP 13 4.209 18.237 -3.137 117 HA ASP 13 HA ASP 13 5.245 20.035 -5.112 118 HB2 ASP 13 HB2 ASP 13 3.251 18.399 -5.320 119 HB3 ASP 13 HB3 ASP 13 2.321 19.661 -4.517 120 H LEU 14 H LEU 14 3.533 20.354 -2.074 121 HA LEU 14 HA LEU 14 2.904 23.124 -2.396 122 HB2 LEU 14 HB2 LEU 14 3.129 21.690 0.230 123 HB3 LEU 14 HB3 LEU 14 2.096 23.055 -0.190 124 HG LEU 14 HG LEU 14 1.738 20.280 -1.310 125 HD11 LEU 14 HD11 LEU 14 1.274 19.908 0.916 126 HD12 LEU 14 HD12 LEU 14 -0.303 20.401 0.300 127 HD13 LEU 14 HD13 LEU 14 0.698 21.553 1.182 128 HD21 LEU 14 HD21 LEU 14 0.160 21.175 -2.588 129 HD22 LEU 14 HD22 LEU 14 0.695 22.771 -2.060 130 HD23 LEU 14 HD23 LEU 14 -0.599 21.943 -1.193 131 H LEU 15 H LEU 15 5.524 21.307 -0.902 132 HA LEU 15 HA LEU 15 6.766 23.656 0.212 133 HB2 LEU 15 HB2 LEU 15 7.988 20.931 -0.158 134 HB3 LEU 15 HB3 LEU 15 8.492 22.192 0.966 135 HG LEU 15 HG LEU 15 5.902 20.651 1.130 136 HD11 LEU 15 HD11 LEU 15 7.666 19.146 1.627 137 HD12 LEU 15 HD12 LEU 15 6.995 19.674 3.169 138 HD13 LEU 15 HD13 LEU 15 8.516 20.354 2.591 139 HD21 LEU 15 HD21 LEU 15 6.856 23.069 2.396 140 HD22 LEU 15 HD22 LEU 15 6.519 21.807 3.582 141 HD23 LEU 15 HD23 LEU 15 5.261 22.319 2.455 142 H GLY 16 H GLY 16 7.012 21.767 -2.710 143 HA2 GLY 16 HA2 GLY 16 9.537 22.550 -3.613 144 HA3 GLY 16 HA3 GLY 16 8.190 22.104 -4.650 145 H LYS 17 H LYS 17 6.611 24.369 -3.382 146 HA LYS 17 HA LYS 17 7.036 26.283 -5.381 147 HB2 LYS 17 HB2 LYS 17 5.532 26.288 -2.786 148 HB3 LYS 17 HB3 LYS 17 5.678 27.771 -3.720 149 HG2 LYS 17 HG2 LYS 17 4.828 26.243 -5.678 150 HG3 LYS 17 HG3 LYS 17 4.199 25.269 -4.347 151 HD2 LYS 17 HD2 LYS 17 3.688 28.225 -4.596 152 HD3 LYS 17 HD3 LYS 17 2.623 27.005 -5.298 153 HE2 LYS 17 HE2 LYS 17 2.120 26.099 -3.156 154 HE3 LYS 17 HE3 LYS 17 3.385 27.056 -2.385 155 HZ1 LYS 17 HZ1 LYS 17 1.249 28.467 -3.810 156 HZ2 LYS 17 HZ2 LYS 17 2.127 28.939 -2.444 157 HZ3 LYS 17 HZ3 LYS 17 0.890 27.794 -2.300 158 H PHE 18 H PHE 18 8.474 25.879 -2.244 159 HA PHE 18 HA PHE 18 9.922 28.420 -2.595 160 HB2 PHE 18 HB2 PHE 18 9.322 26.904 -0.047 161 HB3 PHE 18 HB3 PHE 18 10.292 28.370 -0.144 162 HD1 PHE 18 HD1 PHE 18 9.285 30.504 -0.277 163 HD2 PHE 18 HD2 PHE 18 6.902 26.990 -0.574 164 HE1 PHE 18 HE1 PHE 18 7.251 31.867 -0.035 165 HE2 PHE 18 HE2 PHE 18 4.864 28.347 -0.333 166 HZ PHE 18 HZ PHE 18 5.036 30.789 -0.064 167 H LEU 19 H LEU 19 10.181 24.992 -2.037 168 HA LEU 19 HA LEU 19 12.958 24.954 -1.412 169 HB2 LEU 19 HB2 LEU 19 10.941 22.907 -2.227 170 HB3 LEU 19 HB3 LEU 19 12.653 22.489 -2.213 171 HG LEU 19 HG LEU 19 11.114 23.499 0.178 172 HD11 LEU 19 HD11 LEU 19 11.542 21.063 0.914 173 HD12 LEU 19 HD12 LEU 19 11.717 20.739 -0.810 174 HD13 LEU 19 HD13 LEU 19 10.205 21.397 -0.186 175 HD21 LEU 19 HD21 LEU 19 13.939 22.954 -0.373 176 HD22 LEU 19 HD22 LEU 19 13.319 22.181 1.086 177 HD23 LEU 19 HD23 LEU 19 13.194 23.931 0.892 178 H GLY 20 H GLY 20 11.112 24.933 -4.375 179 HA2 GLY 20 HA2 GLY 20 13.480 24.308 -5.968 180 HA3 GLY 20 HA3 GLY 20 11.838 24.483 -6.571 181 H ASN 21 H ASN 21 13.697 26.723 -4.552 182 HA ASN 21 HA ASN 21 14.183 28.521 -6.749 183 HB2 ASN 21 HB2 ASN 21 12.010 29.035 -4.749 184 HB3 ASN 21 HB3 ASN 21 12.922 30.390 -5.408 185 HD21 ASN 21 HD21 ASN 21 10.089 29.292 -5.700 186 HD22 ASN 21 HD22 ASN 21 9.827 29.300 -7.408 187 H ASN 22 H ASN 22 15.817 29.936 -6.321 188 HA ASN 22 HA ASN 22 16.895 29.903 -3.578 189 HB2 ASN 22 HB2 ASN 22 19.125 30.376 -4.778 190 HB3 ASN 22 HB3 ASN 22 18.478 28.741 -4.869 191 HD21 ASN 22 HD21 ASN 22 19.577 28.268 -6.750 192 HD22 ASN 22 HD22 ASN 22 19.144 28.950 -8.277 Start of MODEL 17 1 HA FME 1 HA FME 1 2.474 -0.454 -1.827 2 HB2 FME 1 HB2 FME 1 3.715 -0.394 0.465 3 HB3 FME 1 HB3 FME 1 2.129 0.414 0.206 4 HG2 FME 1 HG2 FME 1 3.254 2.638 -0.026 5 HG3 FME 1 HG3 FME 1 4.870 1.871 0.177 6 HE1 FME 1 HE2 FME 1 5.229 0.283 3.150 7 HE2 FME 1 HE3 FME 1 5.716 2.008 3.454 8 HE3 FME 1 HE8 FME 1 5.907 1.287 1.804 9 HF FME 1 HF FME 1 5.490 -2.156 -2.696 10 H GLU 2 H GLU 2 1.018 1.112 -2.145 11 HA GLU 2 HA GLU 2 2.033 3.427 -3.662 12 HB2 GLU 2 HB2 GLU 2 0.729 1.471 -4.856 13 HB3 GLU 2 HB3 GLU 2 -0.679 2.287 -4.192 14 HG2 GLU 2 HG2 GLU 2 0.313 4.403 -5.277 15 HG3 GLU 2 HG3 GLU 2 1.288 3.273 -6.214 16 H PHE 3 H PHE 3 1.333 3.162 -0.795 17 HA PHE 3 HA PHE 3 -1.095 4.751 -0.549 18 HB2 PHE 3 HB2 PHE 3 -0.832 2.964 1.053 19 HB3 PHE 3 HB3 PHE 3 0.759 3.557 1.518 20 HD1 PHE 3 HD1 PHE 3 0.609 4.172 3.736 21 HD2 PHE 3 HD2 PHE 3 -2.456 5.370 1.036 22 HE1 PHE 3 HE1 PHE 3 -0.418 5.533 5.510 23 HE2 PHE 3 HE2 PHE 3 -3.487 6.733 2.805 24 HZ PHE 3 HZ PHE 3 -2.468 6.817 5.046 25 H VAL 4 H VAL 4 2.350 5.117 -0.450 26 HA VAL 4 HA VAL 4 2.053 7.903 0.455 27 HB VAL 4 HB VAL 4 4.569 7.783 0.777 28 HG11 VAL 4 HG11 VAL 4 4.282 6.309 2.886 29 HG12 VAL 4 HG12 VAL 4 3.340 7.795 2.744 30 HG13 VAL 4 HG13 VAL 4 2.588 6.237 2.402 31 HG21 VAL 4 HG21 VAL 4 4.640 5.624 -0.656 32 HG22 VAL 4 HG22 VAL 4 5.700 5.760 0.746 33 HG23 VAL 4 HG23 VAL 4 4.217 4.813 0.851 34 H ALA 5 H ALA 5 2.970 5.877 -2.182 35 HA ALA 5 HA ALA 5 4.677 7.461 -3.659 36 HB1 ALA 5 HB1 ALA 5 4.293 6.032 -5.372 37 HB2 ALA 5 HB2 ALA 5 3.512 5.094 -4.098 38 HB3 ALA 5 HB3 ALA 5 2.540 6.094 -5.177 39 H LYS 6 H LYS 6 1.249 7.832 -3.124 40 HA LYS 6 HA LYS 6 1.178 10.087 -5.008 41 HB2 LYS 6 HB2 LYS 6 -0.533 8.362 -5.357 42 HB3 LYS 6 HB3 LYS 6 -1.095 8.576 -3.704 43 HG2 LYS 6 HG2 LYS 6 -1.240 11.119 -4.693 44 HG3 LYS 6 HG3 LYS 6 -1.664 10.140 -6.099 45 HD2 LYS 6 HD2 LYS 6 -3.589 9.378 -5.157 46 HD3 LYS 6 HD3 LYS 6 -2.929 9.412 -3.520 47 HE2 LYS 6 HE2 LYS 6 -4.724 11.081 -3.899 48 HE3 LYS 6 HE3 LYS 6 -3.190 11.798 -3.407 49 HZ1 LYS 6 HZ1 LYS 6 -2.754 12.452 -5.642 50 HZ2 LYS 6 HZ2 LYS 6 -4.314 12.977 -5.254 51 HZ3 LYS 6 HZ3 LYS 6 -4.099 11.609 -6.226 52 H LEU 7 H LEU 7 0.551 9.168 -1.666 53 HA LEU 7 HA LEU 7 -0.513 11.608 -0.773 54 HB2 LEU 7 HB2 LEU 7 -0.177 9.211 0.354 55 HB3 LEU 7 HB3 LEU 7 1.204 10.043 1.066 56 HG LEU 7 HG LEU 7 -0.742 10.067 2.547 57 HD11 LEU 7 HD11 LEU 7 -0.132 12.065 3.315 58 HD12 LEU 7 HD12 LEU 7 -0.733 12.890 1.878 59 HD13 LEU 7 HD13 LEU 7 0.887 12.195 1.881 60 HD21 LEU 7 HD21 LEU 7 -2.159 11.907 0.669 61 HD22 LEU 7 HD22 LEU 7 -2.803 10.941 1.997 62 HD23 LEU 7 HD23 LEU 7 -2.333 10.161 0.485 63 H PHE 8 H PHE 8 2.796 10.370 -0.256 64 HA PHE 8 HA PHE 8 3.902 12.710 0.730 65 HB2 PHE 8 HB2 PHE 8 5.010 10.304 -0.647 66 HB3 PHE 8 HB3 PHE 8 6.065 11.695 -0.423 67 HD1 PHE 8 HD1 PHE 8 3.428 10.294 1.796 68 HD2 PHE 8 HD2 PHE 8 7.568 11.103 1.228 69 HE1 PHE 8 HE1 PHE 8 3.882 9.571 4.103 70 HE2 PHE 8 HE2 PHE 8 8.029 10.380 3.534 71 HZ PHE 8 HZ PHE 8 6.185 9.612 4.975 72 H LYS 9 H LYS 9 3.630 11.615 -2.626 73 HA LYS 9 HA LYS 9 5.073 13.703 -3.820 74 HB2 LYS 9 HB2 LYS 9 3.104 11.681 -4.725 75 HB3 LYS 9 HB3 LYS 9 3.302 13.090 -5.758 76 HG2 LYS 9 HG2 LYS 9 5.798 11.821 -4.857 77 HG3 LYS 9 HG3 LYS 9 4.794 10.857 -5.942 78 HD2 LYS 9 HD2 LYS 9 6.300 12.105 -7.300 79 HD3 LYS 9 HD3 LYS 9 4.708 12.847 -7.472 80 HE2 LYS 9 HE2 LYS 9 6.359 14.580 -7.227 81 HE3 LYS 9 HE3 LYS 9 5.361 14.530 -5.775 82 HZ1 LYS 9 HZ1 LYS 9 7.810 12.942 -5.768 83 HZ2 LYS 9 HZ2 LYS 9 7.073 13.798 -4.510 84 HZ3 LYS 9 HZ3 LYS 9 7.984 14.622 -5.673 85 H PHE 10 H PHE 10 1.705 13.453 -2.838 86 HA PHE 10 HA PHE 10 0.666 15.690 -4.125 87 HB2 PHE 10 HB2 PHE 10 -0.624 13.952 -2.830 88 HB3 PHE 10 HB3 PHE 10 -0.111 14.766 -1.356 89 HD1 PHE 10 HD1 PHE 10 -2.518 14.655 -3.975 90 HD2 PHE 10 HD2 PHE 10 -0.739 17.224 -1.085 91 HE1 PHE 10 HE1 PHE 10 -4.433 16.188 -4.164 92 HE2 PHE 10 HE2 PHE 10 -2.652 18.761 -1.269 93 HZ PHE 10 HZ PHE 10 -4.503 18.243 -2.809 94 H PHE 11 H PHE 11 1.870 15.504 -0.771 95 HA PHE 11 HA PHE 11 1.760 18.283 -0.311 96 HB2 PHE 11 HB2 PHE 11 2.994 15.945 1.056 97 HB3 PHE 11 HB3 PHE 11 3.588 17.544 1.492 98 HD1 PHE 11 HD1 PHE 11 2.130 19.159 2.582 99 HD2 PHE 11 HD2 PHE 11 0.777 15.235 1.638 100 HE1 PHE 11 HE1 PHE 11 0.216 19.458 4.098 101 HE2 PHE 11 HE2 PHE 11 -1.140 15.529 3.152 102 HZ PHE 11 HZ PHE 11 -1.423 17.643 4.384 103 H LYS 12 H LYS 12 4.252 16.181 -1.602 104 HA LYS 12 HA LYS 12 6.455 17.878 -1.441 105 HB2 LYS 12 HB2 LYS 12 6.340 15.423 -2.191 106 HB3 LYS 12 HB3 LYS 12 5.949 16.056 -3.785 107 HG2 LYS 12 HG2 LYS 12 8.211 15.813 -3.969 108 HG3 LYS 12 HG3 LYS 12 8.114 17.484 -3.410 109 HD2 LYS 12 HD2 LYS 12 8.893 16.970 -1.313 110 HD3 LYS 12 HD3 LYS 12 8.297 15.310 -1.381 111 HE2 LYS 12 HE2 LYS 12 10.137 14.551 -2.506 112 HE3 LYS 12 HE3 LYS 12 10.439 16.106 -3.281 113 HZ1 LYS 12 HZ1 LYS 12 12.151 15.814 -1.725 114 HZ2 LYS 12 HZ2 LYS 12 11.094 15.295 -0.511 115 HZ3 LYS 12 HZ3 LYS 12 11.090 16.914 -0.999 116 H ASP 13 H ASP 13 3.709 17.942 -3.565 117 HA ASP 13 HA ASP 13 4.861 19.639 -5.552 118 HB2 ASP 13 HB2 ASP 13 1.936 19.211 -4.906 119 HB3 ASP 13 HB3 ASP 13 2.595 19.868 -6.402 120 H LEU 14 H LEU 14 2.939 20.164 -2.641 121 HA LEU 14 HA LEU 14 2.552 22.950 -3.045 122 HB2 LEU 14 HB2 LEU 14 2.574 21.573 -0.378 123 HB3 LEU 14 HB3 LEU 14 1.667 23.004 -0.862 124 HG LEU 14 HG LEU 14 1.144 20.204 -1.858 125 HD11 LEU 14 HD11 LEU 14 0.620 20.403 0.507 126 HD12 LEU 14 HD12 LEU 14 -0.856 20.302 -0.451 127 HD13 LEU 14 HD13 LEU 14 -0.327 21.857 0.190 128 HD21 LEU 14 HD21 LEU 14 0.291 21.512 -3.530 129 HD22 LEU 14 HD22 LEU 14 -0.008 22.882 -2.459 130 HD23 LEU 14 HD23 LEU 14 -1.085 21.485 -2.427 131 H LEU 15 H LEU 15 5.097 21.028 -1.647 132 HA LEU 15 HA LEU 15 6.404 23.333 -0.458 133 HB2 LEU 15 HB2 LEU 15 7.439 20.517 -0.711 134 HB3 LEU 15 HB3 LEU 15 8.040 21.782 0.359 135 HG LEU 15 HG LEU 15 5.326 20.480 0.578 136 HD11 LEU 15 HD11 LEU 15 7.262 18.969 1.048 137 HD12 LEU 15 HD12 LEU 15 6.186 19.238 2.419 138 HD13 LEU 15 HD13 LEU 15 7.736 20.075 2.337 139 HD21 LEU 15 HD21 LEU 15 6.643 22.749 1.912 140 HD22 LEU 15 HD22 LEU 15 5.855 21.590 2.983 141 HD23 LEU 15 HD23 LEU 15 4.929 22.386 1.709 142 H GLY 16 H GLY 16 6.540 21.437 -3.359 143 HA2 GLY 16 HA2 GLY 16 9.130 21.890 -4.242 144 HA3 GLY 16 HA3 GLY 16 7.736 21.717 -5.298 145 H LYS 17 H LYS 17 6.426 24.096 -4.126 146 HA LYS 17 HA LYS 17 7.355 26.021 -5.949 147 HB2 LYS 17 HB2 LYS 17 5.784 27.531 -4.925 148 HB3 LYS 17 HB3 LYS 17 5.053 25.934 -5.002 149 HG2 LYS 17 HG2 LYS 17 5.879 25.652 -2.593 150 HG3 LYS 17 HG3 LYS 17 6.105 27.403 -2.614 151 HD2 LYS 17 HD2 LYS 17 3.500 26.183 -3.455 152 HD3 LYS 17 HD3 LYS 17 3.866 26.438 -1.747 153 HE2 LYS 17 HE2 LYS 17 3.793 28.714 -1.932 154 HE3 LYS 17 HE3 LYS 17 4.304 28.703 -3.619 155 HZ1 LYS 17 HZ1 LYS 17 1.610 28.132 -2.531 156 HZ2 LYS 17 HZ2 LYS 17 2.049 27.734 -4.115 157 HZ3 LYS 17 HZ3 LYS 17 2.059 29.350 -3.615 158 H PHE 18 H PHE 18 8.179 25.366 -2.622 159 HA PHE 18 HA PHE 18 9.799 27.800 -2.476 160 HB2 PHE 18 HB2 PHE 18 9.008 25.770 -0.382 161 HB3 PHE 18 HB3 PHE 18 10.118 27.101 -0.075 162 HD1 PHE 18 HD1 PHE 18 8.990 29.394 -1.274 163 HD2 PHE 18 HD2 PHE 18 6.983 26.149 0.613 164 HE1 PHE 18 HE1 PHE 18 7.084 30.868 -0.773 165 HE2 PHE 18 HE2 PHE 18 5.074 27.618 1.116 166 HZ PHE 18 HZ PHE 18 5.123 29.980 0.422 167 H LEU 19 H LEU 19 10.066 24.289 -2.407 168 HA LEU 19 HA LEU 19 12.806 24.122 -1.792 169 HB2 LEU 19 HB2 LEU 19 11.066 22.248 -3.389 170 HB3 LEU 19 HB3 LEU 19 12.676 21.863 -2.784 171 HG LEU 19 HG LEU 19 10.461 22.637 -0.914 172 HD11 LEU 19 HD11 LEU 19 10.648 19.891 -0.786 173 HD12 LEU 19 HD12 LEU 19 10.659 20.223 -2.518 174 HD13 LEU 19 HD13 LEU 19 9.333 20.813 -1.516 175 HD21 LEU 19 HD21 LEU 19 11.862 21.037 0.531 176 HD22 LEU 19 HD22 LEU 19 12.512 22.641 0.191 177 HD23 LEU 19 HD23 LEU 19 13.106 21.241 -0.703 178 H GLY 20 H GLY 20 11.090 24.601 -4.819 179 HA2 GLY 20 HA2 GLY 20 13.606 24.480 -6.318 180 HA3 GLY 20 HA3 GLY 20 11.992 24.549 -7.011 181 H ASN 21 H ASN 21 13.480 26.636 -4.558 182 HA ASN 21 HA ASN 21 12.861 28.936 -6.272 183 HB2 ASN 21 HB2 ASN 21 11.827 29.135 -4.129 184 HB3 ASN 21 HB3 ASN 21 13.315 28.690 -3.297 185 HD21 ASN 21 HD21 ASN 21 14.621 30.256 -2.636 186 HD22 ASN 21 HD22 ASN 21 14.489 31.922 -3.076 187 H ASN 22 H ASN 22 15.453 27.468 -4.375 188 HA ASN 22 HA ASN 22 17.366 29.492 -5.125 189 HB2 ASN 22 HB2 ASN 22 17.266 27.961 -2.970 190 HB3 ASN 22 HB3 ASN 22 18.196 26.858 -3.981 191 HD21 ASN 22 HD21 ASN 22 20.033 27.039 -2.735 192 HD22 ASN 22 HD22 ASN 22 21.004 28.468 -2.708 Start of MODEL 18 1 HA FME 1 HA FME 1 3.440 0.552 -1.690 2 HB2 FME 1 HB2 FME 1 1.668 -0.156 -3.608 3 HB3 FME 1 HB3 FME 1 0.720 -0.585 -2.141 4 HG2 FME 1 HG2 FME 1 1.909 -2.592 -2.696 5 HG3 FME 1 HG3 FME 1 2.844 -1.894 -1.325 6 HE1 FME 1 HE2 FME 1 5.591 -3.512 -3.310 7 HE2 FME 1 HE3 FME 1 4.115 -3.927 -4.287 8 HE3 FME 1 HE8 FME 1 4.021 -3.868 -2.480 9 HF FME 1 HF FME 1 1.939 1.913 1.460 10 H GLU 2 H GLU 2 0.375 1.845 -2.886 11 HA GLU 2 HA GLU 2 1.920 4.086 -3.985 12 HB2 GLU 2 HB2 GLU 2 0.013 4.411 -5.510 13 HB3 GLU 2 HB3 GLU 2 0.690 2.793 -5.636 14 HG2 GLU 2 HG2 GLU 2 -1.124 1.823 -4.522 15 HG3 GLU 2 HG3 GLU 2 -1.684 3.375 -3.903 16 H PHE 3 H PHE 3 1.237 4.090 -1.233 17 HA PHE 3 HA PHE 3 -1.032 5.886 -0.954 18 HB2 PHE 3 HB2 PHE 3 -0.750 4.160 0.735 19 HB3 PHE 3 HB3 PHE 3 0.874 4.735 1.093 20 HD1 PHE 3 HD1 PHE 3 0.876 5.559 3.240 21 HD2 PHE 3 HD2 PHE 3 -2.349 6.550 0.646 22 HE1 PHE 3 HE1 PHE 3 -0.037 7.067 4.957 23 HE2 PHE 3 HE2 PHE 3 -3.267 8.060 2.358 24 HZ PHE 3 HZ PHE 3 -2.110 8.321 4.516 25 H VAL 4 H VAL 4 2.480 5.942 -0.475 26 HA VAL 4 HA VAL 4 2.467 8.758 0.184 27 HB VAL 4 HB VAL 4 4.951 8.517 0.192 28 HG11 VAL 4 HG11 VAL 4 4.930 6.775 2.110 29 HG12 VAL 4 HG12 VAL 4 4.010 8.269 2.296 30 HG13 VAL 4 HG13 VAL 4 3.185 6.772 1.861 31 HG21 VAL 4 HG21 VAL 4 4.520 5.565 -0.115 32 HG22 VAL 4 HG22 VAL 4 4.840 6.594 -1.511 33 HG23 VAL 4 HG23 VAL 4 6.024 6.482 -0.209 34 H ALA 5 H ALA 5 2.775 6.808 -2.634 35 HA ALA 5 HA ALA 5 4.333 8.402 -4.298 36 HB1 ALA 5 HB1 ALA 5 3.875 6.774 -5.731 37 HB2 ALA 5 HB2 ALA 5 2.711 6.118 -4.579 38 HB3 ALA 5 HB3 ALA 5 2.185 7.270 -5.806 39 H LYS 6 H LYS 6 1.118 8.885 -3.125 40 HA LYS 6 HA LYS 6 0.788 11.181 -4.942 41 HB2 LYS 6 HB2 LYS 6 -1.380 9.724 -3.424 42 HB3 LYS 6 HB3 LYS 6 -1.603 10.984 -4.630 43 HG2 LYS 6 HG2 LYS 6 -0.384 8.288 -5.183 44 HG3 LYS 6 HG3 LYS 6 -2.073 8.710 -5.474 45 HD2 LYS 6 HD2 LYS 6 0.090 10.402 -6.649 46 HD3 LYS 6 HD3 LYS 6 -0.317 8.862 -7.409 47 HE2 LYS 6 HE2 LYS 6 -1.753 10.236 -8.532 48 HE3 LYS 6 HE3 LYS 6 -2.775 9.796 -7.165 49 HZ1 LYS 6 HZ1 LYS 6 -2.454 11.845 -6.162 50 HZ2 LYS 6 HZ2 LYS 6 -2.589 12.251 -7.799 51 HZ3 LYS 6 HZ3 LYS 6 -1.066 12.200 -7.063 52 H LEU 7 H LEU 7 0.960 10.127 -1.648 53 HA LEU 7 HA LEU 7 -0.056 12.569 -0.520 54 HB2 LEU 7 HB2 LEU 7 0.090 10.118 0.461 55 HB3 LEU 7 HB3 LEU 7 1.648 10.699 1.044 56 HG LEU 7 HG LEU 7 -1.077 11.792 1.724 57 HD11 LEU 7 HD11 LEU 7 -0.638 11.034 3.925 58 HD12 LEU 7 HD12 LEU 7 1.037 10.649 3.533 59 HD13 LEU 7 HD13 LEU 7 -0.272 9.689 2.845 60 HD21 LEU 7 HD21 LEU 7 0.107 13.744 1.740 61 HD22 LEU 7 HD22 LEU 7 1.648 12.939 2.040 62 HD23 LEU 7 HD23 LEU 7 0.492 13.151 3.356 63 H PHE 8 H PHE 8 3.155 11.021 -0.318 64 HA PHE 8 HA PHE 8 4.487 13.313 0.606 65 HB2 PHE 8 HB2 PHE 8 5.354 10.727 -0.621 66 HB3 PHE 8 HB3 PHE 8 6.536 12.019 -0.436 67 HD1 PHE 8 HD1 PHE 8 3.755 10.803 1.732 68 HD2 PHE 8 HD2 PHE 8 7.927 11.540 1.324 69 HE1 PHE 8 HE1 PHE 8 4.097 10.148 4.079 70 HE2 PHE 8 HE2 PHE 8 8.276 10.884 3.669 71 HZ PHE 8 HZ PHE 8 6.359 10.186 5.050 72 H LYS 9 H LYS 9 3.555 12.308 -2.572 73 HA LYS 9 HA LYS 9 5.361 14.042 -3.978 74 HB2 LYS 9 HB2 LYS 9 3.064 12.285 -4.730 75 HB3 LYS 9 HB3 LYS 9 3.591 13.518 -5.868 76 HG2 LYS 9 HG2 LYS 9 5.399 11.424 -4.684 77 HG3 LYS 9 HG3 LYS 9 4.598 11.285 -6.250 78 HD2 LYS 9 HD2 LYS 9 5.718 13.509 -6.822 79 HD3 LYS 9 HD3 LYS 9 6.723 13.232 -5.398 80 HE2 LYS 9 HE2 LYS 9 6.495 11.491 -7.847 81 HE3 LYS 9 HE3 LYS 9 7.897 12.423 -7.325 82 HZ1 LYS 9 HZ1 LYS 9 6.839 9.904 -6.260 83 HZ2 LYS 9 HZ2 LYS 9 7.638 10.952 -5.200 84 HZ3 LYS 9 HZ3 LYS 9 8.441 10.355 -6.565 85 H PHE 10 H PHE 10 2.106 14.254 -2.724 86 HA PHE 10 HA PHE 10 1.416 16.644 -4.138 87 HB2 PHE 10 HB2 PHE 10 -0.327 15.130 -3.356 88 HB3 PHE 10 HB3 PHE 10 0.184 15.368 -1.688 89 HD1 PHE 10 HD1 PHE 10 -1.710 16.707 -4.468 90 HD2 PHE 10 HD2 PHE 10 -0.199 17.533 -0.575 91 HE1 PHE 10 HE1 PHE 10 -3.265 18.604 -4.270 92 HE2 PHE 10 HE2 PHE 10 -1.753 19.430 -0.371 93 HZ PHE 10 HZ PHE 10 -3.289 19.967 -2.219 94 H PHE 11 H PHE 11 2.688 15.896 -0.936 95 HA PHE 11 HA PHE 11 2.528 18.543 0.078 96 HB2 PHE 11 HB2 PHE 11 3.787 15.994 0.919 97 HB3 PHE 11 HB3 PHE 11 4.491 17.467 1.579 98 HD1 PHE 11 HD1 PHE 11 2.520 19.217 2.319 99 HD2 PHE 11 HD2 PHE 11 2.265 14.968 2.276 100 HE1 PHE 11 HE1 PHE 11 0.738 19.310 4.013 101 HE2 PHE 11 HE2 PHE 11 0.482 15.054 3.969 102 HZ PHE 11 HZ PHE 11 -0.284 17.227 4.839 103 H LYS 12 H LYS 12 5.138 16.675 -1.426 104 HA LYS 12 HA LYS 12 7.203 18.517 -1.152 105 HB2 LYS 12 HB2 LYS 12 7.429 16.167 -1.972 106 HB3 LYS 12 HB3 LYS 12 6.753 16.683 -3.512 107 HG2 LYS 12 HG2 LYS 12 8.996 16.755 -3.961 108 HG3 LYS 12 HG3 LYS 12 8.700 18.421 -3.457 109 HD2 LYS 12 HD2 LYS 12 10.665 17.727 -2.333 110 HD3 LYS 12 HD3 LYS 12 9.374 17.701 -1.128 111 HE2 LYS 12 HE2 LYS 12 9.314 15.397 -1.052 112 HE3 LYS 12 HE3 LYS 12 9.991 15.221 -2.669 113 HZ1 LYS 12 HZ1 LYS 12 11.329 15.191 -0.198 114 HZ2 LYS 12 HZ2 LYS 12 11.899 16.504 -1.098 115 HZ3 LYS 12 HZ3 LYS 12 11.967 14.942 -1.745 116 H ASP 13 H ASP 13 4.455 18.541 -3.257 117 HA ASP 13 HA ASP 13 5.499 20.415 -5.148 118 HB2 ASP 13 HB2 ASP 13 3.542 18.765 -5.459 119 HB3 ASP 13 HB3 ASP 13 2.571 19.967 -4.613 120 H LEU 14 H LEU 14 3.949 20.634 -2.057 121 HA LEU 14 HA LEU 14 3.269 23.431 -2.351 122 HB2 LEU 14 HB2 LEU 14 3.299 21.905 0.229 123 HB3 LEU 14 HB3 LEU 14 2.309 23.292 -0.219 124 HG LEU 14 HG LEU 14 2.003 20.534 -1.401 125 HD11 LEU 14 HD11 LEU 14 1.433 20.351 0.896 126 HD12 LEU 14 HD12 LEU 14 -0.079 20.487 -0.000 127 HD13 LEU 14 HD13 LEU 14 0.559 21.883 0.869 128 HD21 LEU 14 HD21 LEU 14 -0.343 21.746 -1.794 129 HD22 LEU 14 HD22 LEU 14 0.982 21.830 -2.955 130 HD23 LEU 14 HD23 LEU 14 0.709 23.161 -1.830 131 H LEU 15 H LEU 15 5.746 21.482 -0.783 132 HA LEU 15 HA LEU 15 6.986 23.784 0.455 133 HB2 LEU 15 HB2 LEU 15 8.242 21.076 0.213 134 HB3 LEU 15 HB3 LEU 15 8.460 22.289 1.473 135 HG LEU 15 HG LEU 15 5.971 20.632 1.061 136 HD11 LEU 15 HD11 LEU 15 8.000 19.378 1.831 137 HD12 LEU 15 HD12 LEU 15 6.639 19.358 2.953 138 HD13 LEU 15 HD13 LEU 15 8.018 20.415 3.258 139 HD21 LEU 15 HD21 LEU 15 6.532 23.017 2.597 140 HD22 LEU 15 HD22 LEU 15 6.039 21.679 3.635 141 HD23 LEU 15 HD23 LEU 15 4.997 22.196 2.308 142 H GLY 16 H GLY 16 7.279 21.963 -2.475 143 HA2 GLY 16 HA2 GLY 16 9.901 22.407 -3.228 144 HA3 GLY 16 HA3 GLY 16 8.553 22.321 -4.352 145 H LYS 17 H LYS 17 7.120 24.566 -3.723 146 HA LYS 17 HA LYS 17 8.837 26.627 -4.825 147 HB2 LYS 17 HB2 LYS 17 6.709 27.932 -4.975 148 HB3 LYS 17 HB3 LYS 17 6.672 26.397 -5.833 149 HG2 LYS 17 HG2 LYS 17 5.384 25.385 -4.072 150 HG3 LYS 17 HG3 LYS 17 5.524 26.842 -3.086 151 HD2 LYS 17 HD2 LYS 17 4.127 28.075 -4.517 152 HD3 LYS 17 HD3 LYS 17 4.281 26.895 -5.821 153 HE2 LYS 17 HE2 LYS 17 3.138 25.935 -3.264 154 HE3 LYS 17 HE3 LYS 17 2.142 27.032 -4.219 155 HZ1 LYS 17 HZ1 LYS 17 2.245 24.379 -4.577 156 HZ2 LYS 17 HZ2 LYS 17 3.375 24.894 -5.725 157 HZ3 LYS 17 HZ3 LYS 17 1.789 25.481 -5.776 158 H PHE 18 H PHE 18 7.081 25.959 -1.853 159 HA PHE 18 HA PHE 18 7.301 28.462 -0.632 160 HB2 PHE 18 HB2 PHE 18 6.013 26.327 0.112 161 HB3 PHE 18 HB3 PHE 18 7.510 25.912 0.942 162 HD1 PHE 18 HD1 PHE 18 7.422 26.340 3.185 163 HD2 PHE 18 HD2 PHE 18 5.505 29.033 0.504 164 HE1 PHE 18 HE1 PHE 18 6.760 27.756 5.085 165 HE2 PHE 18 HE2 PHE 18 4.841 30.454 2.400 166 HZ PHE 18 HZ PHE 18 5.470 29.816 4.694 167 H LEU 19 H LEU 19 9.405 25.611 -0.212 168 HA LEU 19 HA LEU 19 11.318 26.815 1.411 169 HB2 LEU 19 HB2 LEU 19 11.794 24.665 -0.646 170 HB3 LEU 19 HB3 LEU 19 12.803 25.018 0.755 171 HG LEU 19 HG LEU 19 9.949 24.208 1.139 172 HD11 LEU 19 HD11 LEU 19 12.074 22.127 1.113 173 HD12 LEU 19 HD12 LEU 19 11.363 22.629 -0.420 174 HD13 LEU 19 HD13 LEU 19 10.336 21.975 0.855 175 HD21 LEU 19 HD21 LEU 19 10.532 24.087 3.285 176 HD22 LEU 19 HD22 LEU 19 12.020 24.919 2.832 177 HD23 LEU 19 HD23 LEU 19 11.985 23.157 2.917 178 H GLY 20 H GLY 20 11.175 26.581 -2.128 179 HA2 GLY 20 HA2 GLY 20 12.143 28.977 -2.851 180 HA3 GLY 20 HA3 GLY 20 13.616 28.125 -2.415 181 H ASN 21 H ASN 21 13.792 25.879 -3.465 182 HA ASN 21 HA ASN 21 12.673 25.888 -6.176 183 HB2 ASN 21 HB2 ASN 21 14.968 26.905 -6.197 184 HB3 ASN 21 HB3 ASN 21 15.596 25.372 -5.599 185 HD21 ASN 21 HD21 ASN 21 16.867 25.102 -7.433 186 HD22 ASN 21 HD22 ASN 21 16.190 24.653 -8.958 187 H ASN 22 H ASN 22 12.272 23.886 -7.039 188 HA ASN 22 HA ASN 22 12.523 21.641 -5.177 189 HB2 ASN 22 HB2 ASN 22 10.802 20.553 -6.497 190 HB3 ASN 22 HB3 ASN 22 10.279 22.186 -6.095 191 HD21 ASN 22 HD21 ASN 22 10.240 20.007 -8.461 192 HD22 ASN 22 HD22 ASN 22 10.225 21.038 -9.847 Start of MODEL 19 1 HA FME 1 HA FME 1 1.072 -0.549 -1.528 2 HB2 FME 1 HB2 FME 1 0.730 -1.000 0.887 3 HB3 FME 1 HB3 FME 1 -0.191 0.387 0.205 4 HG2 FME 1 HG2 FME 1 1.688 1.932 1.174 5 HG3 FME 1 HG3 FME 1 2.242 0.497 2.110 6 HE1 FME 1 HE2 FME 1 1.809 2.665 3.682 7 HE2 FME 1 HE3 FME 1 1.535 1.211 4.739 8 HE3 FME 1 HE8 FME 1 0.380 2.604 4.792 9 HF FME 1 HF FME 1 4.076 -2.417 -1.048 10 H GLU 2 H GLU 2 -0.048 1.261 -2.129 11 HA GLU 2 HA GLU 2 1.756 3.387 -3.013 12 HB2 GLU 2 HB2 GLU 2 -0.943 2.434 -3.932 13 HB3 GLU 2 HB3 GLU 2 -0.325 4.006 -4.420 14 HG2 GLU 2 HG2 GLU 2 1.767 2.667 -5.164 15 HG3 GLU 2 HG3 GLU 2 0.677 1.283 -5.115 16 H PHE 3 H PHE 3 1.594 3.968 -0.570 17 HA PHE 3 HA PHE 3 -0.742 5.681 -0.086 18 HB2 PHE 3 HB2 PHE 3 -0.339 4.085 1.686 19 HB3 PHE 3 HB3 PHE 3 1.345 4.584 1.807 20 HD1 PHE 3 HD1 PHE 3 1.685 5.580 3.847 21 HD2 PHE 3 HD2 PHE 3 -1.843 6.513 1.656 22 HE1 PHE 3 HE1 PHE 3 1.069 7.242 5.554 23 HE2 PHE 3 HE2 PHE 3 -2.464 8.178 3.358 24 HZ PHE 3 HZ PHE 3 -1.007 8.545 5.310 25 H VAL 4 H VAL 4 2.744 5.692 -0.385 26 HA VAL 4 HA VAL 4 2.845 8.566 0.169 27 HB VAL 4 HB VAL 4 5.325 8.264 -0.010 28 HG11 VAL 4 HG11 VAL 4 5.559 7.468 2.174 29 HG12 VAL 4 HG12 VAL 4 3.910 8.095 2.123 30 HG13 VAL 4 HG13 VAL 4 4.198 6.358 2.013 31 HG21 VAL 4 HG21 VAL 4 4.717 5.929 -1.279 32 HG22 VAL 4 HG22 VAL 4 6.294 6.326 -0.596 33 HG23 VAL 4 HG23 VAL 4 5.148 5.361 0.335 34 H ALA 5 H ALA 5 2.936 6.303 -2.429 35 HA ALA 5 HA ALA 5 4.360 7.701 -4.371 36 HB1 ALA 5 HB1 ALA 5 2.950 5.348 -4.289 37 HB2 ALA 5 HB2 ALA 5 2.017 6.324 -5.424 38 HB3 ALA 5 HB3 ALA 5 3.731 6.032 -5.715 39 H LYS 6 H LYS 6 1.240 8.312 -3.024 40 HA LYS 6 HA LYS 6 0.769 10.401 -5.049 41 HB2 LYS 6 HB2 LYS 6 -1.078 8.566 -3.597 42 HB3 LYS 6 HB3 LYS 6 -1.656 10.183 -3.980 43 HG2 LYS 6 HG2 LYS 6 -2.363 8.993 -5.808 44 HG3 LYS 6 HG3 LYS 6 -0.814 9.620 -6.378 45 HD2 LYS 6 HD2 LYS 6 -0.733 7.381 -6.996 46 HD3 LYS 6 HD3 LYS 6 0.155 7.403 -5.471 47 HE2 LYS 6 HE2 LYS 6 -1.358 5.526 -5.487 48 HE3 LYS 6 HE3 LYS 6 -1.910 6.708 -4.303 49 HZ1 LYS 6 HZ1 LYS 6 -3.811 6.994 -5.396 50 HZ2 LYS 6 HZ2 LYS 6 -3.422 5.601 -6.272 51 HZ3 LYS 6 HZ3 LYS 6 -3.046 7.126 -6.899 52 H LEU 7 H LEU 7 0.454 9.609 -1.605 53 HA LEU 7 HA LEU 7 -0.327 12.148 -0.715 54 HB2 LEU 7 HB2 LEU 7 -0.315 9.938 0.550 55 HB3 LEU 7 HB3 LEU 7 1.393 10.249 0.857 56 HG LEU 7 HG LEU 7 -0.745 12.201 1.665 57 HD11 LEU 7 HD11 LEU 7 -1.322 10.088 2.701 58 HD12 LEU 7 HD12 LEU 7 -0.660 11.195 3.904 59 HD13 LEU 7 HD13 LEU 7 0.337 9.887 3.267 60 HD21 LEU 7 HD21 LEU 7 2.153 11.952 1.959 61 HD22 LEU 7 HD22 LEU 7 1.308 12.304 3.467 62 HD23 LEU 7 HD23 LEU 7 1.116 13.374 2.077 63 H PHE 8 H PHE 8 2.906 10.707 -0.269 64 HA PHE 8 HA PHE 8 4.184 13.122 0.342 65 HB2 PHE 8 HB2 PHE 8 5.146 10.433 -0.573 66 HB3 PHE 8 HB3 PHE 8 6.281 11.773 -0.443 67 HD1 PHE 8 HD1 PHE 8 3.464 10.476 1.639 68 HD2 PHE 8 HD2 PHE 8 7.542 11.682 1.461 69 HE1 PHE 8 HE1 PHE 8 3.695 10.039 4.049 70 HE2 PHE 8 HE2 PHE 8 7.779 11.246 3.871 71 HZ PHE 8 HZ PHE 8 5.855 10.422 5.168 72 H LYS 9 H LYS 9 3.318 11.694 -2.689 73 HA LYS 9 HA LYS 9 5.120 13.244 -4.293 74 HB2 LYS 9 HB2 LYS 9 4.032 11.004 -4.901 75 HB3 LYS 9 HB3 LYS 9 2.583 11.935 -5.257 76 HG2 LYS 9 HG2 LYS 9 4.273 13.334 -6.728 77 HG3 LYS 9 HG3 LYS 9 5.168 11.813 -6.708 78 HD2 LYS 9 HD2 LYS 9 2.815 10.802 -7.314 79 HD3 LYS 9 HD3 LYS 9 2.505 12.440 -7.892 80 HE2 LYS 9 HE2 LYS 9 4.931 10.856 -8.703 81 HE3 LYS 9 HE3 LYS 9 3.410 10.790 -9.592 82 HZ1 LYS 9 HZ1 LYS 9 5.314 12.500 -10.187 83 HZ2 LYS 9 HZ2 LYS 9 4.511 13.433 -9.027 84 HZ3 LYS 9 HZ3 LYS 9 3.677 12.877 -10.390 85 H PHE 10 H PHE 10 1.954 13.698 -2.958 86 HA PHE 10 HA PHE 10 1.284 15.899 -4.706 87 HB2 PHE 10 HB2 PHE 10 -0.411 14.315 -3.699 88 HB3 PHE 10 HB3 PHE 10 -0.107 15.094 -2.149 89 HD1 PHE 10 HD1 PHE 10 -2.043 15.147 -5.103 90 HD2 PHE 10 HD2 PHE 10 -0.420 17.663 -2.078 91 HE1 PHE 10 HE1 PHE 10 -3.707 16.874 -5.651 92 HE2 PHE 10 HE2 PHE 10 -2.081 19.394 -2.621 93 HZ PHE 10 HZ PHE 10 -3.729 19.000 -4.409 94 H PHE 11 H PHE 11 1.990 15.522 -1.236 95 HA PHE 11 HA PHE 11 1.958 18.241 -0.584 96 HB2 PHE 11 HB2 PHE 11 3.158 15.799 0.650 97 HB3 PHE 11 HB3 PHE 11 3.641 17.376 1.267 98 HD1 PHE 11 HD1 PHE 11 2.143 18.719 2.548 99 HD2 PHE 11 HD2 PHE 11 0.832 15.050 0.834 100 HE1 PHE 11 HE1 PHE 11 0.114 18.798 3.938 101 HE2 PHE 11 HE2 PHE 11 -1.199 15.124 2.220 102 HZ PHE 11 HZ PHE 11 -1.561 17.000 3.774 103 H LYS 12 H LYS 12 4.503 16.201 -1.884 104 HA LYS 12 HA LYS 12 6.709 17.846 -1.488 105 HB2 LYS 12 HB2 LYS 12 6.873 15.546 -2.322 106 HB3 LYS 12 HB3 LYS 12 6.125 16.033 -3.838 107 HG2 LYS 12 HG2 LYS 12 8.383 15.957 -4.346 108 HG3 LYS 12 HG3 LYS 12 8.092 17.671 -4.045 109 HD2 LYS 12 HD2 LYS 12 8.881 17.313 -1.701 110 HD3 LYS 12 HD3 LYS 12 9.329 15.668 -2.160 111 HE2 LYS 12 HE2 LYS 12 10.703 16.763 -4.021 112 HE3 LYS 12 HE3 LYS 12 10.477 18.268 -3.132 113 HZ1 LYS 12 HZ1 LYS 12 11.401 17.013 -1.158 114 HZ2 LYS 12 HZ2 LYS 12 12.499 17.399 -2.385 115 HZ3 LYS 12 HZ3 LYS 12 11.895 15.824 -2.256 116 H ASP 13 H ASP 13 4.128 18.056 -3.831 117 HA ASP 13 HA ASP 13 5.400 19.932 -5.555 118 HB2 ASP 13 HB2 ASP 13 2.510 19.153 -5.160 119 HB3 ASP 13 HB3 ASP 13 3.025 20.337 -6.358 120 H LEU 14 H LEU 14 3.651 20.171 -2.575 121 HA LEU 14 HA LEU 14 3.104 22.991 -2.824 122 HB2 LEU 14 HB2 LEU 14 3.047 21.457 -0.252 123 HB3 LEU 14 HB3 LEU 14 2.075 22.846 -0.735 124 HG LEU 14 HG LEU 14 1.787 20.090 -1.922 125 HD11 LEU 14 HD11 LEU 14 1.214 19.976 0.415 126 HD12 LEU 14 HD12 LEU 14 -0.262 19.948 -0.550 127 HD13 LEU 14 HD13 LEU 14 0.221 21.427 0.279 128 HD21 LEU 14 HD21 LEU 14 0.328 22.687 -2.221 129 HD22 LEU 14 HD22 LEU 14 -0.499 21.153 -2.493 130 HD23 LEU 14 HD23 LEU 14 0.908 21.582 -3.467 131 H LEU 15 H LEU 15 5.465 20.953 -1.174 132 HA LEU 15 HA LEU 15 6.747 23.189 0.116 133 HB2 LEU 15 HB2 LEU 15 7.936 20.456 -0.194 134 HB3 LEU 15 HB3 LEU 15 8.191 21.630 1.095 135 HG LEU 15 HG LEU 15 5.617 20.123 0.648 136 HD11 LEU 15 HD11 LEU 15 7.306 18.537 1.250 137 HD12 LEU 15 HD12 LEU 15 6.309 18.852 2.670 138 HD13 LEU 15 HD13 LEU 15 7.905 19.589 2.533 139 HD21 LEU 15 HD21 LEU 15 6.513 22.232 2.510 140 HD22 LEU 15 HD22 LEU 15 5.591 20.904 3.216 141 HD23 LEU 15 HD23 LEU 15 4.899 21.860 1.904 142 H GLY 16 H GLY 16 7.145 21.339 -2.814 143 HA2 GLY 16 HA2 GLY 16 9.777 21.873 -3.485 144 HA3 GLY 16 HA3 GLY 16 8.476 21.696 -4.652 145 H LYS 17 H LYS 17 6.992 24.000 -3.660 146 HA LYS 17 HA LYS 17 8.056 25.984 -5.321 147 HB2 LYS 17 HB2 LYS 17 5.657 25.680 -4.352 148 HB3 LYS 17 HB3 LYS 17 6.257 26.646 -3.011 149 HG2 LYS 17 HG2 LYS 17 5.374 28.285 -4.320 150 HG3 LYS 17 HG3 LYS 17 7.024 28.255 -4.945 151 HD2 LYS 17 HD2 LYS 17 5.643 28.269 -6.850 152 HD3 LYS 17 HD3 LYS 17 6.169 26.593 -6.675 153 HE2 LYS 17 HE2 LYS 17 3.846 26.536 -7.155 154 HE3 LYS 17 HE3 LYS 17 4.020 26.161 -5.441 155 HZ1 LYS 17 HZ1 LYS 17 3.075 28.116 -4.821 156 HZ2 LYS 17 HZ2 LYS 17 2.275 27.909 -6.297 157 HZ3 LYS 17 HZ3 LYS 17 3.599 28.957 -6.192 158 H PHE 18 H PHE 18 8.635 25.242 -1.977 159 HA PHE 18 HA PHE 18 10.134 27.735 -1.614 160 HB2 PHE 18 HB2 PHE 18 9.093 25.662 0.306 161 HB3 PHE 18 HB3 PHE 18 10.290 26.855 0.799 162 HD1 PHE 18 HD1 PHE 18 6.921 26.147 0.815 163 HD2 PHE 18 HD2 PHE 18 9.605 29.348 -0.001 164 HE1 PHE 18 HE1 PHE 18 5.119 27.765 1.251 165 HE2 PHE 18 HE2 PHE 18 7.808 30.971 0.434 166 HZ PHE 18 HZ PHE 18 5.561 30.180 1.062 167 H LEU 19 H LEU 19 10.504 24.245 -1.688 168 HA LEU 19 HA LEU 19 13.137 24.060 -0.757 169 HB2 LEU 19 HB2 LEU 19 11.563 22.357 -2.671 170 HB3 LEU 19 HB3 LEU 19 13.192 21.941 -2.142 171 HG LEU 19 HG LEU 19 10.991 22.382 -0.153 172 HD11 LEU 19 HD11 LEU 19 11.370 19.615 -0.561 173 HD12 LEU 19 HD12 LEU 19 11.048 20.338 -2.137 174 HD13 LEU 19 HD13 LEU 19 9.907 20.567 -0.812 175 HD21 LEU 19 HD21 LEU 19 13.149 22.293 0.818 176 HD22 LEU 19 HD22 LEU 19 13.616 20.911 -0.173 177 HD23 LEU 19 HD23 LEU 19 12.410 20.717 1.100 178 H GLY 20 H GLY 20 11.869 24.542 -4.034 179 HA2 GLY 20 HA2 GLY 20 14.343 24.433 -5.379 180 HA3 GLY 20 HA3 GLY 20 12.890 25.224 -5.973 181 H ASN 21 H ASN 21 12.416 27.359 -4.705 182 HA ASN 21 HA ASN 21 14.944 28.815 -4.319 183 HB2 ASN 21 HB2 ASN 21 13.659 30.796 -5.387 184 HB3 ASN 21 HB3 ASN 21 14.321 29.556 -6.449 185 HD21 ASN 21 HD21 ASN 21 12.948 28.186 -7.538 186 HD22 ASN 21 HD22 ASN 21 11.245 28.455 -7.636 187 H ASN 22 H ASN 22 14.883 29.089 -2.153 188 HA ASN 22 HA ASN 22 12.558 29.525 -0.626 189 HB2 ASN 22 HB2 ASN 22 14.928 28.774 0.122 190 HB3 ASN 22 HB3 ASN 22 15.271 30.499 0.228 191 HD21 ASN 22 HD21 ASN 22 15.314 28.682 2.386 192 HD22 ASN 22 HD22 ASN 22 14.084 29.156 3.503 Start of MODEL 20 1 HA FME 1 HA FME 1 1.504 -0.522 1.011 2 HB2 FME 1 HB2 FME 1 -0.515 -1.625 -1.008 3 HB3 FME 1 HB3 FME 1 0.060 -2.446 0.485 4 HG2 FME 1 HG2 FME 1 2.286 -2.719 -0.341 5 HG3 FME 1 HG3 FME 1 2.100 -1.442 -1.597 6 HE1 FME 1 HE2 FME 1 2.473 -5.369 -2.856 7 HE2 FME 1 HE3 FME 1 1.991 -5.425 -1.104 8 HE3 FME 1 HE8 FME 1 3.240 -4.241 -1.665 9 HF FME 1 HF FME 1 -1.190 0.023 3.306 10 H GLU 2 H GLU 2 -0.794 0.726 -1.406 11 HA GLU 2 HA GLU 2 1.347 2.578 -2.224 12 HB2 GLU 2 HB2 GLU 2 -0.811 1.198 -3.792 13 HB3 GLU 2 HB3 GLU 2 -0.072 2.676 -4.392 14 HG2 GLU 2 HG2 GLU 2 2.139 1.577 -4.250 15 HG3 GLU 2 HG3 GLU 2 1.328 0.085 -3.778 16 H PHE 3 H PHE 3 0.325 3.722 -0.251 17 HA PHE 3 HA PHE 3 -1.914 5.397 -1.180 18 HB2 PHE 3 HB2 PHE 3 -2.601 5.687 1.095 19 HB3 PHE 3 HB3 PHE 3 -2.360 3.962 0.839 20 HD1 PHE 3 HD1 PHE 3 -0.090 2.987 1.555 21 HD2 PHE 3 HD2 PHE 3 -1.564 6.760 2.863 22 HE1 PHE 3 HE1 PHE 3 1.445 2.916 3.477 23 HE2 PHE 3 HE2 PHE 3 -0.031 6.696 4.786 24 HZ PHE 3 HZ PHE 3 1.476 4.773 5.095 25 H VAL 4 H VAL 4 1.339 5.317 -0.071 26 HA VAL 4 HA VAL 4 1.464 8.130 0.589 27 HB VAL 4 HB VAL 4 3.916 7.717 0.810 28 HG11 VAL 4 HG11 VAL 4 3.555 5.912 2.689 29 HG12 VAL 4 HG12 VAL 4 2.879 7.535 2.846 30 HG13 VAL 4 HG13 VAL 4 1.853 6.197 2.327 31 HG21 VAL 4 HG21 VAL 4 4.848 5.564 0.563 32 HG22 VAL 4 HG22 VAL 4 3.263 4.810 0.398 33 HG23 VAL 4 HG23 VAL 4 3.890 5.835 -0.893 34 H ALA 5 H ALA 5 1.921 6.136 -2.188 35 HA ALA 5 HA ALA 5 3.717 7.559 -3.723 36 HB1 ALA 5 HB1 ALA 5 1.859 5.492 -4.151 37 HB2 ALA 5 HB2 ALA 5 1.553 6.709 -5.391 38 HB3 ALA 5 HB3 ALA 5 3.164 6.014 -5.216 39 H LYS 6 H LYS 6 0.416 8.342 -2.916 40 HA LYS 6 HA LYS 6 0.527 10.691 -4.682 41 HB2 LYS 6 HB2 LYS 6 -1.429 8.893 -4.619 42 HB3 LYS 6 HB3 LYS 6 -1.984 9.894 -3.284 43 HG2 LYS 6 HG2 LYS 6 -3.090 10.832 -5.061 44 HG3 LYS 6 HG3 LYS 6 -1.652 11.851 -4.965 45 HD2 LYS 6 HD2 LYS 6 -1.527 9.426 -6.679 46 HD3 LYS 6 HD3 LYS 6 -2.480 10.796 -7.256 47 HE2 LYS 6 HE2 LYS 6 -0.307 12.132 -6.548 48 HE3 LYS 6 HE3 LYS 6 0.452 10.563 -6.810 49 HZ1 LYS 6 HZ1 LYS 6 0.414 12.048 -8.789 50 HZ2 LYS 6 HZ2 LYS 6 -1.271 11.903 -8.818 51 HZ3 LYS 6 HZ3 LYS 6 -0.301 10.536 -9.046 52 H LEU 7 H LEU 7 0.080 9.640 -1.367 53 HA LEU 7 HA LEU 7 -0.635 12.172 -0.304 54 HB2 LEU 7 HB2 LEU 7 -0.627 9.649 0.658 55 HB3 LEU 7 HB3 LEU 7 0.820 10.289 1.436 56 HG LEU 7 HG LEU 7 -1.150 10.450 2.880 57 HD11 LEU 7 HD11 LEU 7 -0.259 12.278 3.765 58 HD12 LEU 7 HD12 LEU 7 -0.862 13.278 2.443 59 HD13 LEU 7 HD13 LEU 7 0.695 12.463 2.292 60 HD21 LEU 7 HD21 LEU 7 -2.380 12.616 1.322 61 HD22 LEU 7 HD22 LEU 7 -3.127 11.326 2.265 62 HD23 LEU 7 HD23 LEU 7 -2.552 11.003 0.629 63 H PHE 8 H PHE 8 2.421 10.357 0.038 64 HA PHE 8 HA PHE 8 3.909 12.472 1.090 65 HB2 PHE 8 HB2 PHE 8 4.582 9.895 -0.255 66 HB3 PHE 8 HB3 PHE 8 5.868 11.076 -0.028 67 HD1 PHE 8 HD1 PHE 8 2.998 10.192 2.168 68 HD2 PHE 8 HD2 PHE 8 7.222 10.237 1.645 69 HE1 PHE 8 HE1 PHE 8 3.290 9.421 4.486 70 HE2 PHE 8 HE2 PHE 8 7.520 9.465 3.962 71 HZ PHE 8 HZ PHE 8 5.553 9.055 5.385 72 H LYS 9 H LYS 9 3.184 11.593 -2.220 73 HA LYS 9 HA LYS 9 5.092 13.301 -3.450 74 HB2 LYS 9 HB2 LYS 9 2.726 11.736 -4.336 75 HB3 LYS 9 HB3 LYS 9 3.246 13.055 -5.377 76 HG2 LYS 9 HG2 LYS 9 5.595 11.971 -5.135 77 HG3 LYS 9 HG3 LYS 9 4.680 10.542 -4.647 78 HD2 LYS 9 HD2 LYS 9 4.930 10.272 -6.949 79 HD3 LYS 9 HD3 LYS 9 3.309 10.952 -6.788 80 HE2 LYS 9 HE2 LYS 9 4.280 12.172 -8.531 81 HE3 LYS 9 HE3 LYS 9 4.429 13.226 -7.125 82 HZ1 LYS 9 HZ1 LYS 9 6.485 11.969 -8.708 83 HZ2 LYS 9 HZ2 LYS 9 6.723 11.818 -7.040 84 HZ3 LYS 9 HZ3 LYS 9 6.561 13.352 -7.735 85 H PHE 10 H PHE 10 1.895 13.771 -2.168 86 HA PHE 10 HA PHE 10 1.231 16.156 -3.512 87 HB2 PHE 10 HB2 PHE 10 -0.227 14.588 -2.020 88 HB3 PHE 10 HB3 PHE 10 0.339 15.607 -0.701 89 HD1 PHE 10 HD1 PHE 10 -1.835 15.365 -3.588 90 HD2 PHE 10 HD2 PHE 10 -0.248 17.995 -0.642 91 HE1 PHE 10 HE1 PHE 10 -3.592 17.007 -4.112 92 HE2 PHE 10 HE2 PHE 10 -2.003 19.640 -1.160 93 HZ PHE 10 HZ PHE 10 -3.678 19.147 -2.896 94 H PHE 11 H PHE 11 2.606 15.647 -0.264 95 HA PHE 11 HA PHE 11 2.962 18.342 0.382 96 HB2 PHE 11 HB2 PHE 11 4.216 15.790 1.320 97 HB3 PHE 11 HB3 PHE 11 4.886 17.327 1.857 98 HD1 PHE 11 HD1 PHE 11 3.770 18.665 3.467 99 HD2 PHE 11 HD2 PHE 11 1.894 15.183 1.894 100 HE1 PHE 11 HE1 PHE 11 2.052 18.802 5.223 101 HE2 PHE 11 HE2 PHE 11 0.172 15.315 3.647 102 HZ PHE 11 HZ PHE 11 0.249 17.126 5.314 103 H LYS 12 H LYS 12 5.084 16.075 -1.299 104 HA LYS 12 HA LYS 12 7.391 17.633 -1.419 105 HB2 LYS 12 HB2 LYS 12 7.227 15.238 -2.083 106 HB3 LYS 12 HB3 LYS 12 6.380 15.732 -3.542 107 HG2 LYS 12 HG2 LYS 12 8.543 15.460 -4.288 108 HG3 LYS 12 HG3 LYS 12 8.471 17.195 -3.971 109 HD2 LYS 12 HD2 LYS 12 9.696 16.991 -1.978 110 HD3 LYS 12 HD3 LYS 12 9.436 15.247 -1.896 111 HE2 LYS 12 HE2 LYS 12 11.685 15.582 -2.582 112 HE3 LYS 12 HE3 LYS 12 10.789 15.050 -4.003 113 HZ1 LYS 12 HZ1 LYS 12 10.860 17.909 -3.673 114 HZ2 LYS 12 HZ2 LYS 12 11.167 16.971 -5.046 115 HZ3 LYS 12 HZ3 LYS 12 12.388 17.219 -3.902 116 H ASP 13 H ASP 13 4.403 17.895 -3.153 117 HA ASP 13 HA ASP 13 5.404 19.516 -5.288 118 HB2 ASP 13 HB2 ASP 13 3.209 18.101 -5.153 119 HB3 ASP 13 HB3 ASP 13 2.537 19.549 -4.409 120 H LEU 14 H LEU 14 4.145 20.106 -2.086 121 HA LEU 14 HA LEU 14 3.870 22.952 -2.500 122 HB2 LEU 14 HB2 LEU 14 3.883 21.561 0.157 123 HB3 LEU 14 HB3 LEU 14 3.084 23.066 -0.292 124 HG LEU 14 HG LEU 14 2.257 20.380 -1.375 125 HD11 LEU 14 HD11 LEU 14 2.023 20.314 1.034 126 HD12 LEU 14 HD12 LEU 14 0.438 20.451 0.274 127 HD13 LEU 14 HD13 LEU 14 1.183 21.865 1.019 128 HD21 LEU 14 HD21 LEU 14 1.565 23.052 -2.003 129 HD22 LEU 14 HD22 LEU 14 0.180 22.318 -1.193 130 HD23 LEU 14 HD23 LEU 14 0.864 21.561 -2.633 131 H LEU 15 H LEU 15 6.189 20.739 -1.070 132 HA LEU 15 HA LEU 15 7.804 22.805 0.094 133 HB2 LEU 15 HB2 LEU 15 8.455 19.920 -0.486 134 HB3 LEU 15 HB3 LEU 15 9.414 21.009 0.513 135 HG LEU 15 HG LEU 15 6.660 19.941 1.118 136 HD11 LEU 15 HD11 LEU 15 8.420 18.331 1.504 137 HD12 LEU 15 HD12 LEU 15 7.806 18.926 3.046 138 HD13 LEU 15 HD13 LEU 15 9.345 19.519 2.422 139 HD21 LEU 15 HD21 LEU 15 8.238 22.168 2.305 140 HD22 LEU 15 HD22 LEU 15 7.295 21.133 3.379 141 HD23 LEU 15 HD23 LEU 15 6.496 22.013 2.075 142 H GLY 16 H GLY 16 8.005 20.773 -2.809 143 HA2 GLY 16 HA2 GLY 16 10.497 21.599 -3.738 144 HA3 GLY 16 HA3 GLY 16 9.180 21.044 -4.761 145 H LYS 17 H LYS 17 7.488 23.309 -3.696 146 HA LYS 17 HA LYS 17 8.527 25.332 -5.546 147 HB2 LYS 17 HB2 LYS 17 5.817 24.548 -4.603 148 HB3 LYS 17 HB3 LYS 17 6.072 26.241 -5.007 149 HG2 LYS 17 HG2 LYS 17 5.179 24.973 -6.893 150 HG3 LYS 17 HG3 LYS 17 6.779 25.632 -7.243 151 HD2 LYS 17 HD2 LYS 17 7.810 23.514 -6.962 152 HD3 LYS 17 HD3 LYS 17 6.348 22.821 -6.254 153 HE2 LYS 17 HE2 LYS 17 6.182 22.001 -8.381 154 HE3 LYS 17 HE3 LYS 17 5.308 23.520 -8.573 155 HZ1 LYS 17 HZ1 LYS 17 7.279 22.766 -10.173 156 HZ2 LYS 17 HZ2 LYS 17 8.179 23.622 -9.025 157 HZ3 LYS 17 HZ3 LYS 17 6.924 24.390 -9.858 158 H PHE 18 H PHE 18 6.945 25.156 -2.356 159 HA PHE 18 HA PHE 18 7.307 27.805 -1.605 160 HB2 PHE 18 HB2 PHE 18 5.907 26.128 -0.395 161 HB3 PHE 18 HB3 PHE 18 7.384 25.408 0.238 162 HD1 PHE 18 HD1 PHE 18 8.803 26.686 1.808 163 HD2 PHE 18 HD2 PHE 18 4.999 28.108 0.533 164 HE1 PHE 18 HE1 PHE 18 8.766 28.267 3.693 165 HE2 PHE 18 HE2 PHE 18 4.956 29.691 2.416 166 HZ PHE 18 HZ PHE 18 6.841 29.773 3.998 167 H LEU 19 H LEU 19 9.555 25.141 -1.609 168 HA LEU 19 HA LEU 19 11.600 26.876 -0.393 169 HB2 LEU 19 HB2 LEU 19 11.547 23.871 -0.618 170 HB3 LEU 19 HB3 LEU 19 12.823 24.824 0.135 171 HG LEU 19 HG LEU 19 10.014 24.970 1.163 172 HD11 LEU 19 HD11 LEU 19 11.031 23.219 2.864 173 HD12 LEU 19 HD12 LEU 19 11.939 22.727 1.434 174 HD13 LEU 19 HD13 LEU 19 10.176 22.713 1.407 175 HD21 LEU 19 HD21 LEU 19 12.482 25.057 2.821 176 HD22 LEU 19 HD22 LEU 19 10.948 25.904 3.028 177 HD23 LEU 19 HD23 LEU 19 12.099 26.450 1.808 178 H GLY 20 H GLY 20 10.718 26.864 -3.209 179 HA2 GLY 20 HA2 GLY 20 13.332 26.215 -4.419 180 HA3 GLY 20 HA3 GLY 20 11.826 25.842 -5.243 181 H ASN 21 H ASN 21 12.139 28.759 -3.380 182 HA ASN 21 HA ASN 21 12.266 30.299 -5.890 183 HB2 ASN 21 HB2 ASN 21 10.057 30.291 -4.557 184 HB3 ASN 21 HB3 ASN 21 10.916 31.289 -3.388 185 HD21 ASN 21 HD21 ASN 21 10.403 31.096 -6.895 186 HD22 ASN 21 HD22 ASN 21 10.176 32.794 -7.125 187 H ASN 22 H ASN 22 13.783 31.840 -6.053 188 HA ASN 22 HA ASN 22 15.785 32.039 -4.010 189 HB2 ASN 22 HB2 ASN 22 15.436 33.437 -6.666 190 HB3 ASN 22 HB3 ASN 22 16.814 33.708 -5.603 191 HD21 ASN 22 HD21 ASN 22 15.366 31.652 -7.915 192 HD22 ASN 22 HD22 ASN 22 16.618 30.463 -7.977
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