NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
617912 | 5tbg | 30176 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 7.566 11.519 1.652 2 H2 GLY 1 HT2 GLY 1 7.416 12.077 3.250 3 H3 GLY 1 HT3 GLY 1 6.220 11.057 2.584 4 HA2 GLY 1 HA1 GLY 1 9.068 10.257 3.024 5 HA3 GLY 1 HA2 GLY 1 7.745 9.870 4.128 6 H GLU 2 HN GLU 2 5.711 9.259 2.537 7 HA GLU 2 HA GLU 2 5.884 6.626 1.780 8 HB2 GLU 2 HB2 GLU 2 3.965 7.091 0.272 9 HB3 GLU 2 HB1 GLU 2 3.789 7.901 1.825 10 HG2 GLU 2 HG2 GLU 2 4.488 9.112 -0.856 11 HG3 GLU 2 HG1 GLU 2 3.201 9.571 0.250 12 H CGU 3 HN CGU 3 6.457 9.382 -0.445 13 HA CGU 3 HA CGU 3 7.189 7.735 -2.665 14 HB2 CGU 3 HB1 CGU 3 8.042 10.603 -2.100 15 HB3 CGU 3 HB2 CGU 3 6.536 10.118 -2.927 16 HG CGU 3 HG CGU 3 9.325 9.344 -3.847 17 H CGU 4 HN CGU 4 9.203 9.482 -0.249 18 HA CGU 4 HA CGU 4 11.719 8.545 -1.202 19 HB2 CGU 4 HB1 CGU 4 10.729 9.318 1.553 20 HB3 CGU 4 HB2 CGU 4 11.835 10.202 0.503 21 HG CGU 4 HG CGU 4 12.393 7.626 2.013 22 H LEU 5 HN LEU 5 9.376 7.176 1.095 23 HA LEU 5 HA LEU 5 10.806 4.741 1.607 24 HB2 LEU 5 HB2 LEU 5 7.831 5.376 1.614 25 HB3 LEU 5 HB1 LEU 5 8.514 3.829 2.182 26 HG LEU 5 HG LEU 5 9.403 6.521 3.266 27 HD11 LEU 5 HD11 LEU 5 7.662 4.749 4.893 28 HD12 LEU 5 HD12 LEU 5 6.868 5.613 3.578 29 HD13 LEU 5 HD13 LEU 5 7.731 6.509 4.826 30 HD21 LEU 5 HD21 LEU 5 9.735 3.630 4.112 31 HD22 LEU 5 HD22 LEU 5 10.079 4.983 5.189 32 HD23 LEU 5 HD23 LEU 5 11.002 4.786 3.701 33 H ALA 6 HN ALA 6 8.328 5.637 -0.825 34 HA ALA 6 HA ALA 6 8.282 3.088 -2.161 35 HB1 ALA 6 HB1 ALA 6 6.866 4.137 -3.610 36 HB2 ALA 6 HB2 ALA 6 8.014 5.437 -3.926 37 HB3 ALA 6 HB3 ALA 6 6.977 5.504 -2.503 38 H CGU 7 HN CGU 7 10.357 5.942 -2.510 39 HA CGU 7 HA CGU 7 11.942 4.709 -4.670 40 HB2 CGU 7 HB1 CGU 7 13.312 6.730 -4.512 41 HB3 CGU 7 HB2 CGU 7 12.520 7.181 -3.006 42 HG CGU 7 HG CGU 7 10.320 7.151 -4.382 43 H LYS 8 HN LYS 8 11.628 3.585 -1.845 44 HA LYS 8 HA LYS 8 14.542 3.183 -1.345 45 HB2 LYS 8 HB2 LYS 8 13.495 4.809 0.301 46 HB3 LYS 8 HB1 LYS 8 12.509 3.461 0.866 47 HG2 LYS 8 HG2 LYS 8 14.272 3.055 2.252 48 HG3 LYS 8 HG1 LYS 8 14.956 2.291 0.826 49 HD2 LYS 8 HD2 LYS 8 15.383 5.188 1.617 50 HD3 LYS 8 HD1 LYS 8 16.544 3.906 1.843 51 HE2 LYS 8 HE2 LYS 8 17.283 4.854 -0.151 52 HE3 LYS 8 HE1 LYS 8 16.273 3.536 -0.735 53 HZ1 LYS 8 HZ1 LYS 8 14.793 5.969 -0.239 54 HZ2 LYS 8 HZ2 LYS 8 14.819 4.976 -1.639 55 HZ3 LYS 8 HZ3 LYS 8 16.016 6.163 -1.405 56 H ALA 9 HN ALA 9 11.423 2.035 -0.044 57 HA ALA 9 HA ALA 9 10.690 -0.169 0.341 58 HB1 ALA 9 HB1 ALA 9 11.202 -1.815 -1.348 59 HB2 ALA 9 HB2 ALA 9 12.650 -0.941 -1.844 60 HB3 ALA 9 HB3 ALA 9 11.056 -0.267 -2.179 61 HA PRO 10 HA PRO 10 14.313 -0.317 3.271 62 HB2 PRO 10 HB2 PRO 10 12.617 -2.066 4.843 63 HB3 PRO 10 HB1 PRO 10 13.123 -0.383 5.183 64 HG2 PRO 10 HG2 PRO 10 10.634 -1.397 3.984 65 HG3 PRO 10 HG1 PRO 10 10.952 0.132 4.817 66 HD2 PRO 10 HD2 PRO 10 10.540 0.038 2.154 67 HD3 PRO 10 HD1 PRO 10 11.688 1.193 2.870 68 H CGU 11 HN CGU 11 13.450 -2.499 1.056 69 HA CGU 11 HA CGU 11 14.745 -4.848 2.288 70 HB2 CGU 11 HB1 CGU 11 13.091 -4.329 -0.176 71 HB3 CGU 11 HB2 CGU 11 12.868 -5.558 1.063 72 HG CGU 11 HG CGU 11 15.063 -5.533 -1.026 73 H PHE 12 HN PHE 12 15.274 -2.109 0.253 74 HA PHE 12 HA PHE 12 17.578 -3.064 -1.218 75 HB2 PHE 12 HB2 PHE 12 17.869 -0.815 -1.867 76 HB3 PHE 12 HB1 PHE 12 16.138 -0.864 -1.523 77 HD1 PHE 12 HD1 PHE 12 15.467 -0.389 0.980 78 HD2 PHE 12 HD2 PHE 12 19.191 0.800 -0.791 79 HE1 PHE 12 HE1 PHE 12 15.785 1.275 2.781 80 HE2 PHE 12 HE2 PHE 12 19.505 2.477 1.010 81 HZ PHE 12 HZ PHE 12 17.797 2.707 2.796 82 H ALA 13 HN ALA 13 17.039 -1.479 1.882 83 HA ALA 13 HA ALA 13 19.667 -0.954 2.709 84 HB1 ALA 13 HB1 ALA 13 17.890 -0.196 4.114 85 HB2 ALA 13 HB2 ALA 13 18.714 -1.438 5.057 86 HB3 ALA 13 HB3 ALA 13 17.196 -1.812 4.240 87 H ARG 14 HN ARG 14 17.745 -3.944 3.025 88 HA ARG 14 HA ARG 14 19.946 -5.427 4.163 89 HB2 ARG 14 HB2 ARG 14 17.484 -6.624 2.873 90 HB3 ARG 14 HB1 ARG 14 18.516 -7.334 4.107 91 HG2 ARG 14 HG2 ARG 14 17.853 -5.611 5.702 92 HG3 ARG 14 HG1 ARG 14 16.858 -4.826 4.463 93 HD2 ARG 14 HD2 ARG 14 16.409 -7.726 5.139 94 HD3 ARG 14 HD1 ARG 14 15.707 -6.463 6.152 95 HE ARG 14 HE ARG 14 15.134 -6.718 3.208 96 HH11 ARG 14 HH11 ARG 14 13.090 -7.873 4.882 97 HH12 ARG 14 HH12 ARG 14 12.014 -6.557 5.195 98 HH21 ARG 14 HH21 ARG 14 14.314 -4.136 4.280 99 HH22 ARG 14 HH22 ARG 14 12.705 -4.449 4.860 100 H CGU 15 HN CGU 15 18.566 -5.001 0.903 101 HA CGU 15 HA CGU 15 20.084 -7.054 -0.379 102 HB2 CGU 15 HB1 CGU 15 19.824 -5.563 -2.462 103 HB3 CGU 15 HB2 CGU 15 18.921 -4.464 -1.419 104 HG CGU 15 HG CGU 15 17.528 -6.506 -0.737 105 H LEU 16 HN LEU 16 21.045 -3.925 0.797 106 HA LEU 16 HA LEU 16 23.695 -4.409 -0.478 107 HB2 LEU 16 HB2 LEU 16 24.322 -2.131 0.125 108 HB3 LEU 16 HB1 LEU 16 22.876 -2.147 -0.895 109 HG LEU 16 HG LEU 16 21.642 -2.203 1.473 110 HD11 LEU 16 HD11 LEU 16 22.875 -1.595 3.267 111 HD12 LEU 16 HD12 LEU 16 23.683 -0.310 2.370 112 HD13 LEU 16 HD13 LEU 16 24.292 -1.962 2.286 113 HD21 LEU 16 HD21 LEU 16 22.677 0.018 -0.219 114 HD22 LEU 16 HD22 LEU 16 22.016 0.460 1.354 115 HD23 LEU 16 HD23 LEU 16 21.015 -0.406 0.190 116 H ALA 17 HN ALA 17 21.936 -4.258 2.499 117 HA ALA 17 HA ALA 17 23.945 -3.992 4.430 118 HB1 ALA 17 HB1 ALA 17 21.738 -6.085 4.454 119 HB2 ALA 17 HB2 ALA 17 21.543 -4.412 4.980 120 HB3 ALA 17 HB3 ALA 17 22.620 -5.493 5.861 121 H ASN 18 HN ASN 18 23.102 -6.822 2.424 122 HA ASN 18 HA ASN 18 25.233 -8.458 3.589 123 HB2 ASN 18 HB2 ASN 18 24.857 -9.880 1.509 124 HB3 ASN 18 HB1 ASN 18 23.451 -9.664 2.548 125 HD21 ASN 18 HD21 ASN 18 24.012 -6.730 1.019 126 HD22 ASN 18 HD22 ASN 18 22.952 -6.932 -0.318 127 H TYR 19 HN TYR 19 25.253 -5.834 1.412 128 HA TYR 19 HA TYR 19 28.054 -5.800 1.111 129 HB2 TYR 19 HB2 TYR 19 28.457 -6.528 -1.105 130 HB3 TYR 19 HB1 TYR 19 27.422 -7.778 -0.433 131 HD1 TYR 19 HD1 TYR 19 27.639 -4.965 -2.792 132 HD2 TYR 19 HD2 TYR 19 25.059 -7.939 -1.076 133 HE1 TYR 19 HE1 TYR 19 25.941 -4.507 -4.544 134 HE2 TYR 19 HE2 TYR 19 23.365 -7.478 -2.827 135 HN1 NH2 20 HN1 NH2 20 25.247 -4.939 -0.941 136 HN2 NH2 20 HN2 NH2 20 25.627 -3.261 -0.988 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 6.784 11.675 3.164 2 H2 GLY 1 HT2 GLY 1 5.743 10.676 2.244 3 H3 GLY 1 HT3 GLY 1 7.316 11.046 1.675 4 HA2 GLY 1 HA1 GLY 1 8.336 9.778 3.422 5 HA3 GLY 1 HA2 GLY 1 6.760 9.508 4.166 6 H GLU 2 HN GLU 2 5.109 8.537 2.570 7 HA GLU 2 HA GLU 2 5.721 5.947 1.831 8 HB2 GLU 2 HB2 GLU 2 3.945 6.801 -0.181 9 HB3 GLU 2 HB1 GLU 2 3.515 6.081 1.367 10 HG2 GLU 2 HG2 GLU 2 2.393 8.301 0.893 11 HG3 GLU 2 HG1 GLU 2 3.293 8.250 2.405 12 H CGU 3 HN CGU 3 5.554 8.598 -0.570 13 HA CGU 3 HA CGU 3 6.794 7.156 -2.673 14 HB2 CGU 3 HB1 CGU 3 6.769 10.153 -2.130 15 HB3 CGU 3 HB2 CGU 3 5.578 9.240 -3.097 16 HG CGU 3 HG CGU 3 8.549 9.425 -3.723 17 H CGU 4 HN CGU 4 8.190 9.371 -0.249 18 HA CGU 4 HA CGU 4 10.890 9.253 -1.099 19 HB2 CGU 4 HB1 CGU 4 11.394 9.703 1.342 20 HB3 CGU 4 HB2 CGU 4 9.681 9.499 1.676 21 HG CGU 4 HG CGU 4 10.966 11.598 -0.102 22 H LEU 5 HN LEU 5 9.027 7.169 1.107 23 HA LEU 5 HA LEU 5 11.213 5.299 1.530 24 HB2 LEU 5 HB2 LEU 5 8.201 4.999 1.869 25 HB3 LEU 5 HB1 LEU 5 9.403 3.791 2.399 26 HG LEU 5 HG LEU 5 9.534 6.678 3.309 27 HD11 LEU 5 HD11 LEU 5 8.123 4.364 4.675 28 HD12 LEU 5 HD12 LEU 5 7.320 5.742 3.921 29 HD13 LEU 5 HD13 LEU 5 8.340 5.983 5.340 30 HD21 LEU 5 HD21 LEU 5 11.098 5.901 4.842 31 HD22 LEU 5 HD22 LEU 5 11.405 4.788 3.510 32 HD23 LEU 5 HD23 LEU 5 10.414 4.277 4.874 33 H ALA 6 HN ALA 6 8.385 5.484 -0.648 34 HA ALA 6 HA ALA 6 8.743 2.957 -1.941 35 HB1 ALA 6 HB1 ALA 6 7.868 5.472 -3.380 36 HB2 ALA 6 HB2 ALA 6 6.820 4.662 -2.215 37 HB3 ALA 6 HB3 ALA 6 7.344 3.812 -3.670 38 H CGU 7 HN CGU 7 10.280 6.103 -2.477 39 HA CGU 7 HA CGU 7 11.798 5.228 -4.811 40 HB2 CGU 7 HB1 CGU 7 13.085 7.347 -4.400 41 HB3 CGU 7 HB2 CGU 7 12.166 7.574 -2.914 42 HG CGU 7 HG CGU 7 10.063 7.389 -4.445 43 H LYS 8 HN LYS 8 11.919 4.279 -1.670 44 HA LYS 8 HA LYS 8 14.878 3.795 -1.755 45 HB2 LYS 8 HB2 LYS 8 14.251 5.374 0.040 46 HB3 LYS 8 HB1 LYS 8 13.116 4.182 0.677 47 HG2 LYS 8 HG2 LYS 8 14.920 3.574 1.960 48 HG3 LYS 8 HG1 LYS 8 15.329 2.647 0.525 49 HD2 LYS 8 HD2 LYS 8 16.264 5.489 0.970 50 HD3 LYS 8 HD1 LYS 8 17.207 4.096 1.427 51 HE2 LYS 8 HE2 LYS 8 16.355 4.909 -1.353 52 HE3 LYS 8 HE1 LYS 8 17.997 4.735 -0.732 53 HZ1 LYS 8 HZ1 LYS 8 16.021 2.554 -1.180 54 HZ2 LYS 8 HZ2 LYS 8 17.508 2.350 -0.380 55 HZ3 LYS 8 HZ3 LYS 8 17.479 2.809 -2.016 56 H ALA 9 HN ALA 9 11.869 2.547 -0.311 57 HA ALA 9 HA ALA 9 11.221 0.323 0.101 58 HB1 ALA 9 HB1 ALA 9 12.062 0.377 -2.501 59 HB2 ALA 9 HB2 ALA 9 11.408 -1.059 -1.711 60 HB3 ALA 9 HB3 ALA 9 13.154 -0.833 -1.827 61 HA PRO 10 HA PRO 10 14.830 0.255 3.057 62 HB2 PRO 10 HB2 PRO 10 13.163 -1.548 4.589 63 HB3 PRO 10 HB1 PRO 10 13.618 0.144 4.960 64 HG2 PRO 10 HG2 PRO 10 11.170 -0.921 3.711 65 HG3 PRO 10 HG1 PRO 10 11.430 0.595 4.589 66 HD2 PRO 10 HD2 PRO 10 11.054 0.578 1.924 67 HD3 PRO 10 HD1 PRO 10 12.188 1.725 2.680 68 H CGU 11 HN CGU 11 13.494 -2.126 1.061 69 HA CGU 11 HA CGU 11 14.903 -4.415 2.105 70 HB2 CGU 11 HB1 CGU 11 14.426 -4.658 -0.711 71 HB3 CGU 11 HB2 CGU 11 13.017 -3.887 0.011 72 HG CGU 11 HG CGU 11 12.844 -5.700 1.655 73 H PHE 12 HN PHE 12 15.666 -1.646 0.053 74 HA PHE 12 HA PHE 12 17.970 -2.822 -1.242 75 HB2 PHE 12 HB2 PHE 12 18.500 -0.639 -1.927 76 HB3 PHE 12 HB1 PHE 12 16.755 -0.528 -1.682 77 HD1 PHE 12 HD1 PHE 12 15.988 0.080 0.752 78 HD2 PHE 12 HD2 PHE 12 19.901 0.883 -0.812 79 HE1 PHE 12 HE1 PHE 12 16.331 1.776 2.510 80 HE2 PHE 12 HE2 PHE 12 20.246 2.595 0.952 81 HZ PHE 12 HZ PHE 12 18.448 3.035 2.607 82 H ALA 13 HN ALA 13 17.487 -1.076 1.800 83 HA ALA 13 HA ALA 13 20.116 -0.757 2.687 84 HB1 ALA 13 HB1 ALA 13 17.594 -1.452 4.225 85 HB2 ALA 13 HB2 ALA 13 18.317 0.144 4.004 86 HB3 ALA 13 HB3 ALA 13 19.121 -1.055 5.017 87 H ARG 14 HN ARG 14 17.980 -3.561 3.383 88 HA ARG 14 HA ARG 14 20.182 -5.123 4.385 89 HB2 ARG 14 HB2 ARG 14 17.432 -6.073 3.557 90 HB3 ARG 14 HB1 ARG 14 18.580 -6.930 4.587 91 HG2 ARG 14 HG2 ARG 14 18.551 -4.952 6.137 92 HG3 ARG 14 HG1 ARG 14 17.236 -4.279 5.155 93 HD2 ARG 14 HD2 ARG 14 15.778 -6.099 5.696 94 HD3 ARG 14 HD1 ARG 14 17.099 -7.045 6.388 95 HE ARG 14 HE ARG 14 16.873 -4.576 7.825 96 HH11 ARG 14 HH11 ARG 14 16.998 -7.415 8.905 97 HH12 ARG 14 HH12 ARG 14 15.486 -7.513 9.737 98 HH21 ARG 14 HH21 ARG 14 14.180 -4.728 8.174 99 HH22 ARG 14 HH22 ARG 14 13.887 -5.988 9.320 100 H CGU 15 HN CGU 15 18.531 -4.859 1.242 101 HA CGU 15 HA CGU 15 19.638 -7.181 0.025 102 HB2 CGU 15 HB1 CGU 15 19.503 -5.779 -2.148 103 HB3 CGU 15 HB2 CGU 15 18.818 -4.515 -1.134 104 HG CGU 15 HG CGU 15 17.167 -6.310 -0.308 105 H LEU 16 HN LEU 16 21.131 -4.123 0.815 106 HA LEU 16 HA LEU 16 23.584 -5.139 -0.540 107 HB2 LEU 16 HB2 LEU 16 24.563 -2.931 -0.287 108 HB3 LEU 16 HB1 LEU 16 23.036 -2.844 -1.179 109 HG LEU 16 HG LEU 16 22.031 -2.441 1.257 110 HD11 LEU 16 HD11 LEU 16 24.261 -0.765 1.923 111 HD12 LEU 16 HD12 LEU 16 24.845 -2.419 1.727 112 HD13 LEU 16 HD13 LEU 16 23.551 -2.070 2.873 113 HD21 LEU 16 HD21 LEU 16 23.501 -0.089 0.136 114 HD22 LEU 16 HD22 LEU 16 21.822 -0.215 0.663 115 HD23 LEU 16 HD23 LEU 16 22.313 -0.894 -0.889 116 H ALA 17 HN ALA 17 22.102 -4.393 2.506 117 HA ALA 17 HA ALA 17 24.305 -4.210 4.234 118 HB1 ALA 17 HB1 ALA 17 21.862 -4.217 4.939 119 HB2 ALA 17 HB2 ALA 17 22.922 -5.177 5.969 120 HB3 ALA 17 HB3 ALA 17 21.893 -5.973 4.779 121 H ASN 18 HN ASN 18 22.912 -7.069 2.617 122 HA ASN 18 HA ASN 18 24.858 -8.878 3.862 123 HB2 ASN 18 HB2 ASN 18 24.114 -10.448 1.991 124 HB3 ASN 18 HB1 ASN 18 22.854 -9.921 3.103 125 HD21 ASN 18 HD21 ASN 18 23.684 -7.289 1.186 126 HD22 ASN 18 HD22 ASN 18 22.480 -7.471 -0.025 127 H TYR 19 HN TYR 19 25.087 -6.542 1.404 128 HA TYR 19 HA TYR 19 27.826 -6.958 0.916 129 HB2 TYR 19 HB2 TYR 19 27.937 -7.930 -1.249 130 HB3 TYR 19 HB1 TYR 19 26.859 -8.978 -0.341 131 HD1 TYR 19 HD1 TYR 19 24.407 -8.865 -0.696 132 HD2 TYR 19 HD2 TYR 19 27.141 -6.563 -3.074 133 HE1 TYR 19 HE1 TYR 19 22.602 -8.417 -2.334 134 HE2 TYR 19 HE2 TYR 19 25.334 -6.118 -4.716 135 HN1 NH2 20 HN1 NH2 20 25.016 -5.931 -1.054 136 HN2 NH2 20 HN2 NH2 20 25.623 -4.345 -1.332 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 10.136 9.984 3.275 2 H2 GLY 1 HT2 GLY 1 9.495 11.561 3.280 3 H3 GLY 1 HT3 GLY 1 9.552 10.674 1.833 4 HA2 GLY 1 HA1 GLY 1 8.027 9.653 4.143 5 HA3 GLY 1 HA2 GLY 1 7.324 10.857 3.072 6 H GLU 2 HN GLU 2 5.762 9.479 2.192 7 HA GLU 2 HA GLU 2 5.882 6.867 1.355 8 HB2 GLU 2 HB2 GLU 2 3.901 8.375 1.175 9 HB3 GLU 2 HB1 GLU 2 4.622 9.101 -0.262 10 HG2 GLU 2 HG2 GLU 2 2.993 7.341 -0.872 11 HG3 GLU 2 HG1 GLU 2 4.622 6.900 -1.382 12 H CGU 3 HN CGU 3 6.576 9.508 -0.993 13 HA CGU 3 HA CGU 3 7.587 7.869 -3.027 14 HB2 CGU 3 HB1 CGU 3 9.225 10.127 -3.188 15 HB3 CGU 3 HB2 CGU 3 7.764 10.727 -2.362 16 HG CGU 3 HG CGU 3 6.369 10.182 -4.179 17 H CGU 4 HN CGU 4 9.483 9.587 -0.526 18 HA CGU 4 HA CGU 4 12.006 8.449 -1.044 19 HB2 CGU 4 HB1 CGU 4 10.634 9.400 1.452 20 HB3 CGU 4 HB2 CGU 4 12.012 10.108 0.620 21 HG CGU 4 HG CGU 4 12.105 7.440 2.070 22 H LEU 5 HN LEU 5 9.368 7.222 1.054 23 HA LEU 5 HA LEU 5 10.690 4.757 1.704 24 HB2 LEU 5 HB2 LEU 5 8.943 4.796 3.111 25 HB3 LEU 5 HB1 LEU 5 8.105 6.009 2.113 26 HG LEU 5 HG LEU 5 7.295 4.223 0.632 27 HD11 LEU 5 HD11 LEU 5 8.231 2.161 0.650 28 HD12 LEU 5 HD12 LEU 5 7.798 1.957 2.346 29 HD13 LEU 5 HD13 LEU 5 9.338 2.698 1.915 30 HD21 LEU 5 HD21 LEU 5 6.489 4.815 3.231 31 HD22 LEU 5 HD22 LEU 5 6.473 3.053 3.170 32 HD23 LEU 5 HD23 LEU 5 5.528 3.984 2.008 33 H ALA 6 HN ALA 6 8.344 5.654 -0.850 34 HA ALA 6 HA ALA 6 8.230 3.052 -2.082 35 HB1 ALA 6 HB1 ALA 6 8.006 5.723 -3.506 36 HB2 ALA 6 HB2 ALA 6 6.700 5.032 -2.543 37 HB3 ALA 6 HB3 ALA 6 7.273 4.191 -3.983 38 H CGU 7 HN CGU 7 10.462 5.765 -2.436 39 HA CGU 7 HA CGU 7 11.979 4.451 -4.594 40 HB2 CGU 7 HB1 CGU 7 13.429 6.428 -4.446 41 HB3 CGU 7 HB2 CGU 7 12.647 6.915 -2.944 42 HG CGU 7 HG CGU 7 10.445 6.842 -4.400 43 H LYS 8 HN LYS 8 11.652 3.905 -1.396 44 HA LYS 8 HA LYS 8 14.534 3.281 -0.889 45 HB2 LYS 8 HB2 LYS 8 13.257 4.661 0.796 46 HB3 LYS 8 HB1 LYS 8 12.222 3.258 1.065 47 HG2 LYS 8 HG2 LYS 8 13.769 2.710 2.643 48 HG3 LYS 8 HG1 LYS 8 14.679 2.108 1.263 49 HD2 LYS 8 HD2 LYS 8 14.941 4.814 2.597 50 HD3 LYS 8 HD1 LYS 8 16.148 3.553 2.521 51 HE2 LYS 8 HE2 LYS 8 16.621 3.945 0.260 52 HE3 LYS 8 HE1 LYS 8 15.087 4.770 -0.008 53 HZ1 LYS 8 HZ1 LYS 8 17.039 6.276 0.154 54 HZ2 LYS 8 HZ2 LYS 8 17.201 5.816 1.783 55 HZ3 LYS 8 HZ3 LYS 8 15.787 6.624 1.260 56 H ALA 9 HN ALA 9 11.345 1.843 -0.207 57 HA ALA 9 HA ALA 9 10.689 -0.419 -0.199 58 HB1 ALA 9 HB1 ALA 9 13.084 -1.181 -1.838 59 HB2 ALA 9 HB2 ALA 9 11.876 -0.130 -2.576 60 HB3 ALA 9 HB3 ALA 9 11.412 -1.725 -1.982 61 HA PRO 10 HA PRO 10 13.619 -0.563 3.428 62 HB2 PRO 10 HB2 PRO 10 11.751 -2.511 4.486 63 HB3 PRO 10 HB1 PRO 10 12.054 -0.829 5.027 64 HG2 PRO 10 HG2 PRO 10 9.969 -1.892 3.236 65 HG3 PRO 10 HG1 PRO 10 9.975 -0.423 4.224 66 HD2 PRO 10 HD2 PRO 10 10.166 -0.290 1.548 67 HD3 PRO 10 HD1 PRO 10 11.079 0.836 2.583 68 H CGU 11 HN CGU 11 13.352 -2.665 0.963 69 HA CGU 11 HA CGU 11 14.617 -4.959 2.343 70 HB2 CGU 11 HB1 CGU 11 14.465 -5.293 -0.501 71 HB3 CGU 11 HB2 CGU 11 12.908 -4.680 0.051 72 HG CGU 11 HG CGU 11 12.826 -6.474 1.759 73 H PHE 12 HN PHE 12 15.185 -2.146 0.401 74 HA PHE 12 HA PHE 12 17.662 -2.782 -0.842 75 HB2 PHE 12 HB2 PHE 12 17.948 -0.450 -1.102 76 HB3 PHE 12 HB1 PHE 12 16.193 -0.619 -0.983 77 HD1 PHE 12 HD1 PHE 12 15.194 -0.518 1.439 78 HD2 PHE 12 HD2 PHE 12 19.060 1.005 0.372 79 HE1 PHE 12 HE1 PHE 12 15.205 0.862 3.488 80 HE2 PHE 12 HE2 PHE 12 19.070 2.398 2.426 81 HZ PHE 12 HZ PHE 12 17.134 2.320 3.976 82 H ALA 13 HN ALA 13 16.937 -1.570 2.412 83 HA ALA 13 HA ALA 13 19.454 -1.058 3.448 84 HB1 ALA 13 HB1 ALA 13 17.425 -0.740 4.771 85 HB2 ALA 13 HB2 ALA 13 18.523 -1.799 5.654 86 HB3 ALA 13 HB3 ALA 13 17.136 -2.479 4.805 87 H ARG 14 HN ARG 14 17.817 -4.249 3.549 88 HA ARG 14 HA ARG 14 20.256 -5.579 4.354 89 HB2 ARG 14 HB2 ARG 14 17.748 -6.915 3.322 90 HB3 ARG 14 HB1 ARG 14 18.979 -7.592 4.385 91 HG2 ARG 14 HG2 ARG 14 18.404 -5.997 6.133 92 HG3 ARG 14 HG1 ARG 14 17.227 -5.216 5.066 93 HD2 ARG 14 HD2 ARG 14 16.362 -7.788 4.920 94 HD3 ARG 14 HD1 ARG 14 17.014 -7.774 6.561 95 HE ARG 14 HE ARG 14 15.057 -6.587 7.128 96 HH11 ARG 14 HH11 ARG 14 14.008 -6.920 4.293 97 HH12 ARG 14 HH12 ARG 14 13.672 -5.272 3.882 98 HH21 ARG 14 HH21 ARG 14 15.562 -3.979 6.441 99 HH22 ARG 14 HH22 ARG 14 14.577 -3.616 5.049 100 H CGU 15 HN CGU 15 18.501 -5.097 1.300 101 HA CGU 15 HA CGU 15 19.955 -6.998 -0.253 102 HB2 CGU 15 HB1 CGU 15 19.363 -5.474 -2.210 103 HB3 CGU 15 HB2 CGU 15 18.623 -4.393 -1.030 104 HG CGU 15 HG CGU 15 17.316 -6.439 -0.204 105 H LEU 16 HN LEU 16 20.893 -3.903 1.012 106 HA LEU 16 HA LEU 16 23.411 -4.159 -0.559 107 HB2 LEU 16 HB2 LEU 16 23.983 -1.891 0.100 108 HB3 LEU 16 HB1 LEU 16 22.424 -1.921 -0.735 109 HG LEU 16 HG LEU 16 21.545 -2.207 1.800 110 HD11 LEU 16 HD11 LEU 16 23.996 -0.441 2.057 111 HD12 LEU 16 HD12 LEU 16 23.913 -2.094 2.663 112 HD13 LEU 16 HD13 LEU 16 22.851 -0.857 3.331 113 HD21 LEU 16 HD21 LEU 16 22.352 0.503 0.725 114 HD22 LEU 16 HD22 LEU 16 20.955 0.110 1.726 115 HD23 LEU 16 HD23 LEU 16 21.015 -0.427 0.049 116 H ALA 17 HN ALA 17 21.956 -4.267 2.591 117 HA ALA 17 HA ALA 17 24.145 -4.005 4.315 118 HB1 ALA 17 HB1 ALA 17 22.068 -6.221 4.452 119 HB2 ALA 17 HB2 ALA 17 21.831 -4.586 5.073 120 HB3 ALA 17 HB3 ALA 17 23.053 -5.633 5.790 121 H ASN 18 HN ASN 18 23.237 -6.752 2.229 122 HA ASN 18 HA ASN 18 25.554 -8.337 3.068 123 HB2 ASN 18 HB2 ASN 18 25.015 -9.653 0.943 124 HB3 ASN 18 HB1 ASN 18 23.746 -9.596 2.163 125 HD21 ASN 18 HD21 ASN 18 23.988 -6.549 0.740 126 HD22 ASN 18 HD22 ASN 18 22.757 -6.731 -0.445 127 H TYR 19 HN TYR 19 25.226 -5.597 1.079 128 HA TYR 19 HA TYR 19 27.967 -5.404 0.473 129 HB2 TYR 19 HB2 TYR 19 28.154 -5.966 -1.818 130 HB3 TYR 19 HB1 TYR 19 27.272 -7.315 -1.121 131 HD1 TYR 19 HD1 TYR 19 24.825 -7.515 -1.448 132 HD2 TYR 19 HD2 TYR 19 27.104 -4.423 -3.365 133 HE1 TYR 19 HE1 TYR 19 22.921 -7.057 -2.966 134 HE2 TYR 19 HE2 TYR 19 25.196 -3.967 -4.890 135 HN1 NH2 20 HN1 NH2 20 24.927 -4.571 -1.233 136 HN2 NH2 20 HN2 NH2 20 25.227 -2.875 -1.211 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 8.613 11.361 3.225 2 H2 GLY 1 HT2 GLY 1 9.016 10.332 1.932 3 H3 GLY 1 HT3 GLY 1 9.619 10.019 3.492 4 HA2 GLY 1 HA1 GLY 1 7.763 8.992 4.165 5 HA3 GLY 1 HA2 GLY 1 6.737 10.167 3.351 6 H GLU 2 HN GLU 2 5.394 8.848 2.178 7 HA GLU 2 HA GLU 2 5.723 6.384 1.050 8 HB2 GLU 2 HB2 GLU 2 3.628 7.558 0.853 9 HB3 GLU 2 HB1 GLU 2 4.355 8.799 -0.166 10 HG2 GLU 2 HG2 GLU 2 4.380 5.897 -1.001 11 HG3 GLU 2 HG1 GLU 2 2.983 6.921 -1.322 12 H CGU 3 HN CGU 3 6.396 9.298 -0.950 13 HA CGU 3 HA CGU 3 7.611 7.945 -3.074 14 HB2 CGU 3 HB1 CGU 3 9.085 10.317 -2.905 15 HB3 CGU 3 HB2 CGU 3 7.532 10.716 -2.126 16 HG CGU 3 HG CGU 3 6.294 10.239 -4.077 17 H CGU 4 HN CGU 4 9.295 9.515 -0.315 18 HA CGU 4 HA CGU 4 11.888 8.527 -0.860 19 HB2 CGU 4 HB1 CGU 4 10.458 9.166 1.724 20 HB3 CGU 4 HB2 CGU 4 11.724 10.092 0.923 21 HG CGU 4 HG CGU 4 12.074 7.371 2.234 22 H LEU 5 HN LEU 5 9.251 7.079 1.079 23 HA LEU 5 HA LEU 5 10.582 4.611 1.645 24 HB2 LEU 5 HB2 LEU 5 7.659 5.349 1.324 25 HB3 LEU 5 HB1 LEU 5 8.176 3.693 1.743 26 HG LEU 5 HG LEU 5 9.035 6.156 3.297 27 HD11 LEU 5 HD11 LEU 5 7.300 5.712 4.866 28 HD12 LEU 5 HD12 LEU 5 6.910 4.167 4.112 29 HD13 LEU 5 HD13 LEU 5 6.516 5.675 3.289 30 HD21 LEU 5 HD21 LEU 5 10.532 4.517 3.926 31 HD22 LEU 5 HD22 LEU 5 9.436 3.202 3.495 32 HD23 LEU 5 HD23 LEU 5 9.206 4.085 5.004 33 H ALA 6 HN ALA 6 8.465 5.589 -1.077 34 HA ALA 6 HA ALA 6 8.664 3.072 -2.488 35 HB1 ALA 6 HB1 ALA 6 7.870 4.347 -4.434 36 HB2 ALA 6 HB2 ALA 6 8.272 5.864 -3.627 37 HB3 ALA 6 HB3 ALA 6 6.975 4.847 -2.997 38 H CGU 7 HN CGU 7 10.596 6.035 -2.510 39 HA CGU 7 HA CGU 7 12.477 5.026 -4.531 40 HB2 CGU 7 HB1 CGU 7 13.692 7.097 -4.095 41 HB3 CGU 7 HB2 CGU 7 12.761 7.373 -2.627 42 HG CGU 7 HG CGU 7 10.685 7.328 -4.224 43 H LYS 8 HN LYS 8 11.890 3.691 -1.836 44 HA LYS 8 HA LYS 8 14.739 3.321 -1.046 45 HB2 LYS 8 HB2 LYS 8 13.528 4.881 0.546 46 HB3 LYS 8 HB1 LYS 8 12.490 3.517 0.959 47 HG2 LYS 8 HG2 LYS 8 14.101 3.072 2.514 48 HG3 LYS 8 HG1 LYS 8 14.930 2.343 1.147 49 HD2 LYS 8 HD2 LYS 8 15.271 5.210 2.075 50 HD3 LYS 8 HD1 LYS 8 16.409 3.919 2.357 51 HE2 LYS 8 HE2 LYS 8 17.340 4.915 0.482 52 HE3 LYS 8 HE1 LYS 8 16.349 3.664 -0.261 53 HZ1 LYS 8 HZ1 LYS 8 16.218 6.339 -0.784 54 HZ2 LYS 8 HZ2 LYS 8 14.882 6.098 0.245 55 HZ3 LYS 8 HZ3 LYS 8 15.029 5.200 -1.211 56 H ALA 9 HN ALA 9 11.514 2.087 -0.129 57 HA ALA 9 HA ALA 9 10.774 -0.143 0.058 58 HB1 ALA 9 HB1 ALA 9 12.642 -1.625 -1.454 59 HB2 ALA 9 HB2 ALA 9 12.505 -0.073 -2.282 60 HB3 ALA 9 HB3 ALA 9 11.064 -1.051 -2.000 61 HA PRO 10 HA PRO 10 13.914 -0.183 3.516 62 HB2 PRO 10 HB2 PRO 10 12.025 -1.953 4.820 63 HB3 PRO 10 HB1 PRO 10 12.436 -0.254 5.217 64 HG2 PRO 10 HG2 PRO 10 10.198 -1.336 3.632 65 HG3 PRO 10 HG1 PRO 10 10.332 0.196 4.510 66 HD2 PRO 10 HD2 PRO 10 10.363 0.133 1.825 67 HD3 PRO 10 HD1 PRO 10 11.384 1.282 2.721 68 H CGU 11 HN CGU 11 13.387 -2.426 1.228 69 HA CGU 11 HA CGU 11 14.635 -4.669 2.695 70 HB2 CGU 11 HB1 CGU 11 14.241 -5.248 -0.078 71 HB3 CGU 11 HB2 CGU 11 12.766 -4.494 0.523 72 HG CGU 11 HG CGU 11 12.674 -6.109 2.370 73 H PHE 12 HN PHE 12 15.196 -2.038 0.530 74 HA PHE 12 HA PHE 12 17.553 -2.940 -0.816 75 HB2 PHE 12 HB2 PHE 12 17.892 -0.676 -1.378 76 HB3 PHE 12 HB1 PHE 12 16.149 -0.739 -1.102 77 HD1 PHE 12 HD1 PHE 12 15.412 -0.382 1.423 78 HD2 PHE 12 HD2 PHE 12 19.133 0.959 -0.246 79 HE1 PHE 12 HE1 PHE 12 15.648 1.240 3.272 80 HE2 PHE 12 HE2 PHE 12 19.366 2.593 1.606 81 HZ PHE 12 HZ PHE 12 17.616 2.724 3.362 82 H ALA 13 HN ALA 13 17.049 -1.417 2.339 83 HA ALA 13 HA ALA 13 19.645 -0.875 3.165 84 HB1 ALA 13 HB1 ALA 13 18.034 -2.232 5.236 85 HB2 ALA 13 HB2 ALA 13 17.177 -0.939 4.395 86 HB3 ALA 13 HB3 ALA 13 18.700 -0.597 5.219 87 H ARG 14 HN ARG 14 17.914 -3.978 3.669 88 HA ARG 14 HA ARG 14 20.354 -5.318 4.462 89 HB2 ARG 14 HB2 ARG 14 17.754 -6.663 3.702 90 HB3 ARG 14 HB1 ARG 14 19.021 -7.269 4.764 91 HG2 ARG 14 HG2 ARG 14 18.581 -5.507 6.376 92 HG3 ARG 14 HG1 ARG 14 17.384 -4.778 5.295 93 HD2 ARG 14 HD2 ARG 14 16.364 -7.265 5.409 94 HD3 ARG 14 HD1 ARG 14 17.169 -7.235 6.979 95 HE ARG 14 HE ARG 14 15.245 -6.013 7.620 96 HH11 ARG 14 HH11 ARG 14 14.670 -5.874 4.486 97 HH12 ARG 14 HH12 ARG 14 14.364 -4.158 4.373 98 HH21 ARG 14 HH21 ARG 14 15.588 -3.450 7.487 99 HH22 ARG 14 HH22 ARG 14 14.860 -2.825 6.045 100 H CGU 15 HN CGU 15 18.432 -5.067 1.476 101 HA CGU 15 HA CGU 15 19.737 -7.159 0.040 102 HB2 CGU 15 HB1 CGU 15 19.075 -5.823 -2.020 103 HB3 CGU 15 HB2 CGU 15 18.450 -4.594 -0.922 104 HG CGU 15 HG CGU 15 17.137 -6.504 0.196 105 H LEU 16 HN LEU 16 20.840 -3.992 0.945 106 HA LEU 16 HA LEU 16 23.251 -4.488 -0.731 107 HB2 LEU 16 HB2 LEU 16 23.934 -2.194 -0.325 108 HB3 LEU 16 HB1 LEU 16 22.330 -2.243 -1.071 109 HG LEU 16 HG LEU 16 21.595 -2.260 1.531 110 HD11 LEU 16 HD11 LEU 16 24.124 -0.590 1.450 111 HD12 LEU 16 HD12 LEU 16 23.982 -2.142 2.275 112 HD13 LEU 16 HD13 LEU 16 23.026 -0.763 2.818 113 HD21 LEU 16 HD21 LEU 16 21.107 -0.621 -0.434 114 HD22 LEU 16 HD22 LEU 16 22.397 0.356 0.271 115 HD23 LEU 16 HD23 LEU 16 20.955 -0.019 1.217 116 H ALA 17 HN ALA 17 21.990 -4.226 2.497 117 HA ALA 17 HA ALA 17 24.294 -3.882 4.049 118 HB1 ALA 17 HB1 ALA 17 23.243 -5.295 5.754 119 HB2 ALA 17 HB2 ALA 17 22.160 -5.989 4.549 120 HB3 ALA 17 HB3 ALA 17 22.008 -4.289 4.998 121 H ASN 18 HN ASN 18 23.160 -6.784 2.308 122 HA ASN 18 HA ASN 18 25.464 -8.374 3.172 123 HB2 ASN 18 HB2 ASN 18 24.767 -9.878 1.245 124 HB3 ASN 18 HB1 ASN 18 23.538 -9.618 2.479 125 HD21 ASN 18 HD21 ASN 18 23.817 -6.746 0.787 126 HD22 ASN 18 HD22 ASN 18 22.571 -7.003 -0.370 127 H TYR 19 HN TYR 19 25.107 -5.834 0.925 128 HA TYR 19 HA TYR 19 27.818 -5.822 0.151 129 HB2 TYR 19 HB2 TYR 19 27.840 -6.635 -2.068 130 HB3 TYR 19 HB1 TYR 19 26.927 -7.851 -1.188 131 HD1 TYR 19 HD1 TYR 19 26.757 -5.115 -3.641 132 HD2 TYR 19 HD2 TYR 19 24.495 -8.023 -1.436 133 HE1 TYR 19 HE1 TYR 19 24.799 -4.712 -5.113 134 HE2 TYR 19 HE2 TYR 19 22.540 -7.620 -2.907 135 HN1 NH2 20 HN1 NH2 20 24.694 -5.018 -1.402 136 HN2 NH2 20 HN2 NH2 20 25.069 -3.350 -1.599 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 7.113 10.214 5.352 2 H2 GLY 1 HT2 GLY 1 6.273 9.690 3.960 3 H3 GLY 1 HT3 GLY 1 7.682 10.645 3.812 4 HA2 GLY 1 HA1 GLY 1 9.109 8.932 4.388 5 HA3 GLY 1 HA2 GLY 1 7.817 8.031 5.179 6 H GLU 2 HN GLU 2 5.911 7.577 3.521 7 HA GLU 2 HA GLU 2 6.564 5.621 1.716 8 HB2 GLU 2 HB2 GLU 2 4.505 7.030 0.393 9 HB3 GLU 2 HB1 GLU 2 4.324 5.676 1.505 10 HG2 GLU 2 HG2 GLU 2 2.995 7.720 2.152 11 HG3 GLU 2 HG1 GLU 2 4.111 7.176 3.400 12 H CGU 3 HN CGU 3 6.030 8.978 0.662 13 HA CGU 3 HA CGU 3 6.752 8.855 -1.986 14 HB2 CGU 3 HB1 CGU 3 7.666 11.027 -0.059 15 HB3 CGU 3 HB2 CGU 3 6.028 10.912 -0.746 16 HG CGU 3 HG CGU 3 7.279 12.511 -2.054 17 H CGU 4 HN CGU 4 9.052 9.063 0.737 18 HA CGU 4 HA CGU 4 11.325 8.762 -1.128 19 HB2 CGU 4 HB1 CGU 4 11.050 9.186 1.844 20 HB3 CGU 4 HB2 CGU 4 11.958 10.135 0.668 21 HG CGU 4 HG CGU 4 12.671 7.377 1.732 22 H LEU 5 HN LEU 5 9.668 6.950 1.447 23 HA LEU 5 HA LEU 5 11.267 4.603 1.313 24 HB2 LEU 5 HB2 LEU 5 8.342 4.974 2.017 25 HB3 LEU 5 HB1 LEU 5 9.214 3.432 2.217 26 HG LEU 5 HG LEU 5 10.227 6.023 3.423 27 HD11 LEU 5 HD11 LEU 5 8.442 3.943 4.727 28 HD12 LEU 5 HD12 LEU 5 7.941 5.572 4.275 29 HD13 LEU 5 HD13 LEU 5 9.160 5.341 5.528 30 HD21 LEU 5 HD21 LEU 5 10.651 3.114 4.179 31 HD22 LEU 5 HD22 LEU 5 11.482 4.509 4.858 32 HD23 LEU 5 HD23 LEU 5 11.762 4.049 3.181 33 H ALA 6 HN ALA 6 8.413 5.607 -0.599 34 HA ALA 6 HA ALA 6 7.974 3.207 -2.045 35 HB1 ALA 6 HB1 ALA 6 6.414 4.734 -2.736 36 HB2 ALA 6 HB2 ALA 6 7.598 5.090 -3.994 37 HB3 ALA 6 HB3 ALA 6 7.520 6.096 -2.549 38 H CGU 7 HN CGU 7 10.384 5.755 -2.630 39 HA CGU 7 HA CGU 7 11.546 4.168 -4.854 40 HB2 CGU 7 HB1 CGU 7 12.482 6.081 -5.590 41 HB3 CGU 7 HB2 CGU 7 13.123 6.468 -3.997 42 HG CGU 7 HG CGU 7 10.993 7.400 -3.316 43 H LYS 8 HN LYS 8 11.579 3.694 -1.778 44 HA LYS 8 HA LYS 8 14.522 3.158 -1.572 45 HB2 LYS 8 HB2 LYS 8 13.582 4.804 0.096 46 HB3 LYS 8 HB1 LYS 8 12.584 3.489 0.714 47 HG2 LYS 8 HG2 LYS 8 14.372 3.063 2.058 48 HG3 LYS 8 HG1 LYS 8 14.998 2.262 0.625 49 HD2 LYS 8 HD2 LYS 8 15.479 5.185 1.251 50 HD3 LYS 8 HD1 LYS 8 16.599 3.915 1.662 51 HE2 LYS 8 HE2 LYS 8 17.472 4.567 -0.375 52 HE3 LYS 8 HE1 LYS 8 16.362 3.302 -0.904 53 HZ1 LYS 8 HZ1 LYS 8 16.345 5.799 -1.864 54 HZ2 LYS 8 HZ2 LYS 8 15.193 5.962 -0.617 55 HZ3 LYS 8 HZ3 LYS 8 14.975 4.797 -1.850 56 H ALA 9 HN ALA 9 11.443 1.998 -0.201 57 HA ALA 9 HA ALA 9 10.756 -0.204 0.284 58 HB1 ALA 9 HB1 ALA 9 12.694 -0.950 -1.935 59 HB2 ALA 9 HB2 ALA 9 11.038 -0.411 -2.214 60 HB3 ALA 9 HB3 ALA 9 11.340 -1.917 -1.349 61 HA PRO 10 HA PRO 10 14.430 -0.239 3.157 62 HB2 PRO 10 HB2 PRO 10 12.775 -1.945 4.815 63 HB3 PRO 10 HB1 PRO 10 13.282 -0.250 5.096 64 HG2 PRO 10 HG2 PRO 10 10.768 -1.307 3.996 65 HG3 PRO 10 HG1 PRO 10 11.106 0.254 4.760 66 HD2 PRO 10 HD2 PRO 10 10.624 0.045 2.109 67 HD3 PRO 10 HD1 PRO 10 11.766 1.245 2.754 68 H CGU 11 HN CGU 11 13.481 -2.499 1.044 69 HA CGU 11 HA CGU 11 14.797 -4.824 2.288 70 HB2 CGU 11 HB1 CGU 11 13.100 -4.309 -0.142 71 HB3 CGU 11 HB2 CGU 11 12.923 -5.554 1.087 72 HG CGU 11 HG CGU 11 15.071 -5.492 -1.050 73 H PHE 12 HN PHE 12 15.315 -2.132 0.152 74 HA PHE 12 HA PHE 12 17.615 -3.145 -1.283 75 HB2 PHE 12 HB2 PHE 12 17.899 -0.931 -2.031 76 HB3 PHE 12 HB1 PHE 12 16.176 -0.946 -1.650 77 HD1 PHE 12 HD1 PHE 12 15.564 -0.370 0.845 78 HD2 PHE 12 HD2 PHE 12 19.256 0.719 -1.052 79 HE1 PHE 12 HE1 PHE 12 15.931 1.360 2.570 80 HE2 PHE 12 HE2 PHE 12 19.621 2.464 0.675 81 HZ PHE 12 HZ PHE 12 17.950 2.777 2.486 82 H ALA 13 HN ALA 13 17.089 -1.444 1.759 83 HA ALA 13 HA ALA 13 19.729 -0.920 2.562 84 HB1 ALA 13 HB1 ALA 13 17.999 -0.059 3.945 85 HB2 ALA 13 HB2 ALA 13 18.750 -1.314 4.931 86 HB3 ALA 13 HB3 ALA 13 17.226 -1.637 4.105 87 H ARG 14 HN ARG 14 17.770 -3.877 2.923 88 HA ARG 14 HA ARG 14 19.942 -5.333 4.169 89 HB2 ARG 14 HB2 ARG 14 17.504 -6.591 2.899 90 HB3 ARG 14 HB1 ARG 14 18.503 -7.218 4.206 91 HG2 ARG 14 HG2 ARG 14 17.788 -5.401 5.671 92 HG3 ARG 14 HG1 ARG 14 16.825 -4.703 4.358 93 HD2 ARG 14 HD2 ARG 14 15.882 -7.267 4.373 94 HD3 ARG 14 HD1 ARG 14 16.244 -7.039 6.086 95 HE ARG 14 HE ARG 14 14.021 -5.873 4.716 96 HH11 ARG 14 HH11 ARG 14 14.480 -6.076 7.709 97 HH12 ARG 14 HH12 ARG 14 14.501 -4.405 8.149 98 HH21 ARG 14 HH21 ARG 14 14.931 -3.297 4.897 99 HH22 ARG 14 HH22 ARG 14 14.752 -2.834 6.566 100 H CGU 15 HN CGU 15 18.596 -4.990 0.898 101 HA CGU 15 HA CGU 15 20.086 -7.091 -0.341 102 HB2 CGU 15 HB1 CGU 15 19.876 -5.612 -2.445 103 HB3 CGU 15 HB2 CGU 15 18.978 -4.492 -1.422 104 HG CGU 15 HG CGU 15 17.538 -6.503 -0.751 105 H LEU 16 HN LEU 16 21.071 -3.954 0.783 106 HA LEU 16 HA LEU 16 23.730 -4.478 -0.452 107 HB2 LEU 16 HB2 LEU 16 24.355 -2.191 0.138 108 HB3 LEU 16 HB1 LEU 16 22.933 -2.225 -0.915 109 HG LEU 16 HG LEU 16 21.624 -2.233 1.399 110 HD11 LEU 16 HD11 LEU 16 23.292 -0.386 2.649 111 HD12 LEU 16 HD12 LEU 16 24.392 -1.666 2.143 112 HD13 LEU 16 HD13 LEU 16 23.009 -2.046 3.171 113 HD21 LEU 16 HD21 LEU 16 21.475 0.211 1.253 114 HD22 LEU 16 HD22 LEU 16 21.498 -0.490 -0.366 115 HD23 LEU 16 HD23 LEU 16 22.953 0.258 0.291 116 H ALA 17 HN ALA 17 21.939 -4.275 2.506 117 HA ALA 17 HA ALA 17 23.933 -3.993 4.453 118 HB1 ALA 17 HB1 ALA 17 21.701 -6.059 4.486 119 HB2 ALA 17 HB2 ALA 17 21.526 -4.377 4.991 120 HB3 ALA 17 HB3 ALA 17 22.579 -5.463 5.894 121 H ASN 18 HN ASN 18 23.090 -6.851 2.483 122 HA ASN 18 HA ASN 18 25.202 -8.478 3.699 123 HB2 ASN 18 HB2 ASN 18 24.825 -9.945 1.652 124 HB3 ASN 18 HB1 ASN 18 23.417 -9.697 2.682 125 HD21 ASN 18 HD21 ASN 18 23.995 -6.802 1.090 126 HD22 ASN 18 HD22 ASN 18 22.938 -7.030 -0.246 127 H TYR 19 HN TYR 19 25.246 -5.900 1.476 128 HA TYR 19 HA TYR 19 28.048 -5.888 1.179 129 HB2 TYR 19 HB2 TYR 19 28.435 -6.632 -1.042 130 HB3 TYR 19 HB1 TYR 19 27.439 -7.887 -0.322 131 HD1 TYR 19 HD1 TYR 19 27.540 -5.097 -2.719 132 HD2 TYR 19 HD2 TYR 19 25.081 -8.142 -0.947 133 HE1 TYR 19 HE1 TYR 19 25.813 -4.720 -4.459 134 HE2 TYR 19 HE2 TYR 19 23.360 -7.761 -2.689 135 HN1 NH2 20 HN1 NH2 20 25.253 -5.054 -0.895 136 HN2 NH2 20 HN2 NH2 20 25.638 -3.379 -0.972 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 5.913 10.965 3.178 2 H2 GLY 1 HT2 GLY 1 6.662 10.932 1.648 3 H3 GLY 1 HT3 GLY 1 7.356 11.825 2.927 4 HA2 GLY 1 HA1 GLY 1 8.675 9.985 3.089 5 HA3 GLY 1 HA2 GLY 1 7.324 9.445 4.090 6 H GLU 2 HN GLU 2 5.390 8.955 2.283 7 HA GLU 2 HA GLU 2 5.656 6.396 1.325 8 HB2 GLU 2 HB2 GLU 2 3.905 6.991 -0.340 9 HB3 GLU 2 HB1 GLU 2 3.555 7.676 1.246 10 HG2 GLU 2 HG2 GLU 2 4.667 9.114 -1.188 11 HG3 GLU 2 HG1 GLU 2 3.156 9.436 -0.344 12 H CGU 3 HN CGU 3 6.472 9.342 -0.541 13 HA CGU 3 HA CGU 3 7.414 7.915 -2.839 14 HB2 CGU 3 HB1 CGU 3 8.872 10.292 -2.815 15 HB3 CGU 3 HB2 CGU 3 7.392 10.703 -1.910 16 HG CGU 3 HG CGU 3 5.990 10.165 -3.740 17 H CGU 4 HN CGU 4 9.257 9.539 -0.206 18 HA CGU 4 HA CGU 4 11.808 8.544 -0.918 19 HB2 CGU 4 HB1 CGU 4 10.588 9.156 1.788 20 HB3 CGU 4 HB2 CGU 4 11.729 10.136 0.868 21 HG CGU 4 HG CGU 4 12.285 7.456 2.194 22 H LEU 5 HN LEU 5 9.242 7.108 1.094 23 HA LEU 5 HA LEU 5 10.595 4.641 1.645 24 HB2 LEU 5 HB2 LEU 5 7.646 5.337 1.388 25 HB3 LEU 5 HB1 LEU 5 8.224 3.725 1.890 26 HG LEU 5 HG LEU 5 9.044 6.298 3.281 27 HD11 LEU 5 HD11 LEU 5 6.848 4.326 3.985 28 HD12 LEU 5 HD12 LEU 5 6.617 6.003 3.495 29 HD13 LEU 5 HD13 LEU 5 7.407 5.632 5.028 30 HD21 LEU 5 HD21 LEU 5 9.379 4.431 5.119 31 HD22 LEU 5 HD22 LEU 5 10.605 4.659 3.872 32 HD23 LEU 5 HD23 LEU 5 9.433 3.348 3.728 33 H ALA 6 HN ALA 6 8.341 5.608 -0.975 34 HA ALA 6 HA ALA 6 8.489 3.111 -2.411 35 HB1 ALA 6 HB1 ALA 6 6.818 4.984 -2.812 36 HB2 ALA 6 HB2 ALA 6 7.552 4.334 -4.278 37 HB3 ALA 6 HB3 ALA 6 8.110 5.872 -3.619 38 H CGU 7 HN CGU 7 10.473 6.035 -2.439 39 HA CGU 7 HA CGU 7 12.240 5.037 -4.576 40 HB2 CGU 7 HB1 CGU 7 13.484 7.088 -4.204 41 HB3 CGU 7 HB2 CGU 7 12.673 7.353 -2.664 42 HG CGU 7 HG CGU 7 10.483 7.355 -4.117 43 H LYS 8 HN LYS 8 11.775 3.702 -1.840 44 HA LYS 8 HA LYS 8 14.663 3.305 -1.216 45 HB2 LYS 8 HB2 LYS 8 13.557 4.893 0.420 46 HB3 LYS 8 HB1 LYS 8 12.539 3.543 0.914 47 HG2 LYS 8 HG2 LYS 8 14.233 3.107 2.374 48 HG3 LYS 8 HG1 LYS 8 14.979 2.359 0.970 49 HD2 LYS 8 HD2 LYS 8 15.379 5.242 1.826 50 HD3 LYS 8 HD1 LYS 8 16.524 3.954 2.087 51 HE2 LYS 8 HE2 LYS 8 17.380 4.874 0.147 52 HE3 LYS 8 HE1 LYS 8 16.321 3.641 -0.529 53 HZ1 LYS 8 HZ1 LYS 8 16.235 6.325 -1.064 54 HZ2 LYS 8 HZ2 LYS 8 14.929 6.105 0.008 55 HZ3 LYS 8 HZ3 LYS 8 15.016 5.203 -1.450 56 H ALA 9 HN ALA 9 11.490 2.113 -0.087 57 HA ALA 9 HA ALA 9 10.746 -0.102 0.196 58 HB1 ALA 9 HB1 ALA 9 11.474 -1.758 -1.446 59 HB2 ALA 9 HB2 ALA 9 12.855 -0.757 -1.892 60 HB3 ALA 9 HB3 ALA 9 11.219 -0.220 -2.271 61 HA PRO 10 HA PRO 10 14.137 -0.211 3.393 62 HB2 PRO 10 HB2 PRO 10 12.342 -1.988 4.818 63 HB3 PRO 10 HB1 PRO 10 12.797 -0.299 5.203 64 HG2 PRO 10 HG2 PRO 10 10.431 -1.343 3.791 65 HG3 PRO 10 HG1 PRO 10 10.653 0.182 4.663 66 HD2 PRO 10 HD2 PRO 10 10.468 0.123 1.982 67 HD3 PRO 10 HD1 PRO 10 11.556 1.271 2.798 68 H CGU 11 HN CGU 11 13.462 -2.429 1.122 69 HA CGU 11 HA CGU 11 14.763 -4.707 2.496 70 HB2 CGU 11 HB1 CGU 11 14.264 -5.143 -0.318 71 HB3 CGU 11 HB2 CGU 11 12.805 -4.509 0.438 72 HG CGU 11 HG CGU 11 12.903 -6.259 2.150 73 H PHE 12 HN PHE 12 15.290 -2.020 0.390 74 HA PHE 12 HA PHE 12 17.619 -2.931 -1.025 75 HB2 PHE 12 HB2 PHE 12 17.918 -0.672 -1.628 76 HB3 PHE 12 HB1 PHE 12 16.182 -0.741 -1.307 77 HD1 PHE 12 HD1 PHE 12 15.472 -0.308 1.189 78 HD2 PHE 12 HD2 PHE 12 19.215 0.931 -0.507 79 HE1 PHE 12 HE1 PHE 12 15.752 1.328 3.020 80 HE2 PHE 12 HE2 PHE 12 19.492 2.581 1.325 81 HZ PHE 12 HZ PHE 12 17.754 2.770 3.087 82 H ALA 13 HN ALA 13 17.157 -1.313 2.093 83 HA ALA 13 HA ALA 13 19.789 -0.820 2.867 84 HB1 ALA 13 HB1 ALA 13 18.059 -0.080 4.327 85 HB2 ALA 13 HB2 ALA 13 18.904 -1.332 5.238 86 HB3 ALA 13 HB3 ALA 13 17.366 -1.697 4.458 87 H ARG 14 HN ARG 14 17.911 -3.814 3.455 88 HA ARG 14 HA ARG 14 20.235 -5.245 4.390 89 HB2 ARG 14 HB2 ARG 14 17.625 -6.472 3.479 90 HB3 ARG 14 HB1 ARG 14 18.801 -7.144 4.601 91 HG2 ARG 14 HG2 ARG 14 18.370 -5.341 6.188 92 HG3 ARG 14 HG1 ARG 14 17.235 -4.589 5.053 93 HD2 ARG 14 HD2 ARG 14 16.833 -7.446 5.915 94 HD3 ARG 14 HD1 ARG 14 16.284 -6.122 6.947 95 HE ARG 14 HE ARG 14 15.344 -6.501 4.113 96 HH11 ARG 14 HH11 ARG 14 13.751 -7.430 6.515 97 HH12 ARG 14 HH12 ARG 14 12.637 -6.123 6.706 98 HH21 ARG 14 HH21 ARG 14 14.446 -3.950 4.711 99 HH22 ARG 14 HH22 ARG 14 13.030 -4.164 5.695 100 H CGU 15 HN CGU 15 18.518 -4.980 1.284 101 HA CGU 15 HA CGU 15 19.828 -7.141 -0.037 102 HB2 CGU 15 HB1 CGU 15 19.355 -5.788 -2.157 103 HB3 CGU 15 HB2 CGU 15 18.661 -4.560 -1.101 104 HG CGU 15 HG CGU 15 17.287 -6.515 -0.085 105 H LEU 16 HN LEU 16 20.996 -3.991 0.860 106 HA LEU 16 HA LEU 16 23.480 -4.632 -0.658 107 HB2 LEU 16 HB2 LEU 16 24.233 -2.348 -0.269 108 HB3 LEU 16 HB1 LEU 16 22.688 -2.371 -1.129 109 HG LEU 16 HG LEU 16 21.746 -2.257 1.391 110 HD11 LEU 16 HD11 LEU 16 24.144 -0.465 1.622 111 HD12 LEU 16 HD12 LEU 16 24.296 -2.160 2.078 112 HD13 LEU 16 HD13 LEU 16 23.124 -1.128 2.897 113 HD21 LEU 16 HD21 LEU 16 22.296 0.422 0.881 114 HD22 LEU 16 HD22 LEU 16 20.905 -0.477 0.281 115 HD23 LEU 16 HD23 LEU 16 22.351 -0.323 -0.716 116 H ALA 17 HN ALA 17 22.043 -4.243 2.470 117 HA ALA 17 HA ALA 17 24.257 -3.939 4.160 118 HB1 ALA 17 HB1 ALA 17 22.034 -5.971 4.578 119 HB2 ALA 17 HB2 ALA 17 21.887 -4.252 4.951 120 HB3 ALA 17 HB3 ALA 17 23.045 -5.250 5.828 121 H ASN 18 HN ASN 18 23.131 -6.832 2.409 122 HA ASN 18 HA ASN 18 25.320 -8.480 3.452 123 HB2 ASN 18 HB2 ASN 18 24.661 -9.992 1.482 124 HB3 ASN 18 HB1 ASN 18 23.432 -9.715 2.714 125 HD21 ASN 18 HD21 ASN 18 23.895 -6.890 0.885 126 HD22 ASN 18 HD22 ASN 18 22.599 -7.110 -0.220 127 H TYR 19 HN TYR 19 25.188 -5.987 1.139 128 HA TYR 19 HA TYR 19 27.933 -6.092 0.519 129 HB2 TYR 19 HB2 TYR 19 28.048 -6.920 -1.699 130 HB3 TYR 19 HB1 TYR 19 27.095 -8.114 -0.833 131 HD1 TYR 19 HD1 TYR 19 24.635 -8.201 -1.117 132 HD2 TYR 19 HD2 TYR 19 27.075 -5.511 -3.408 133 HE1 TYR 19 HE1 TYR 19 22.747 -7.818 -2.677 134 HE2 TYR 19 HE2 TYR 19 25.184 -5.131 -4.971 135 HN1 NH2 20 HN1 NH2 20 24.959 -5.223 -1.282 136 HN2 NH2 20 HN2 NH2 20 25.396 -3.569 -1.465 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 7.701 11.667 3.485 2 H2 GLY 1 HT2 GLY 1 6.692 10.952 2.305 3 H3 GLY 1 HT3 GLY 1 8.359 11.184 1.996 4 HA2 GLY 1 HA1 GLY 1 9.014 9.516 3.493 5 HA3 GLY 1 HA2 GLY 1 7.407 9.470 4.220 6 H GLU 2 HN GLU 2 5.619 9.020 2.465 7 HA GLU 2 HA GLU 2 5.749 6.423 1.523 8 HB2 GLU 2 HB2 GLU 2 4.274 7.730 -0.477 9 HB3 GLU 2 HB1 GLU 2 3.632 7.029 1.006 10 HG2 GLU 2 HG2 GLU 2 3.005 9.461 0.613 11 HG3 GLU 2 HG1 GLU 2 3.774 9.138 2.163 12 H CGU 3 HN CGU 3 6.242 9.243 -0.632 13 HA CGU 3 HA CGU 3 7.246 7.776 -2.820 14 HB2 CGU 3 HB1 CGU 3 8.015 10.615 -2.029 15 HB3 CGU 3 HB2 CGU 3 6.561 10.168 -2.962 16 HG CGU 3 HG CGU 3 9.412 9.502 -3.782 17 H CGU 4 HN CGU 4 9.061 9.401 -0.173 18 HA CGU 4 HA CGU 4 11.656 8.587 -1.021 19 HB2 CGU 4 HB1 CGU 4 10.484 9.164 1.708 20 HB3 CGU 4 HB2 CGU 4 11.616 10.142 0.779 21 HG CGU 4 HG CGU 4 12.192 7.467 2.107 22 H LEU 5 HN LEU 5 9.283 7.024 1.132 23 HA LEU 5 HA LEU 5 10.762 4.614 1.554 24 HB2 LEU 5 HB2 LEU 5 7.790 5.229 1.519 25 HB3 LEU 5 HB1 LEU 5 8.425 3.602 1.892 26 HG LEU 5 HG LEU 5 9.414 6.065 3.349 27 HD11 LEU 5 HD11 LEU 5 7.249 6.244 4.077 28 HD12 LEU 5 HD12 LEU 5 7.740 4.922 5.135 29 HD13 LEU 5 HD13 LEU 5 6.855 4.579 3.648 30 HD21 LEU 5 HD21 LEU 5 10.291 3.459 3.293 31 HD22 LEU 5 HD22 LEU 5 9.189 3.433 4.668 32 HD23 LEU 5 HD23 LEU 5 10.541 4.565 4.643 33 H ALA 6 HN ALA 6 8.395 5.596 -0.951 34 HA ALA 6 HA ALA 6 8.470 3.109 -2.412 35 HB1 ALA 6 HB1 ALA 6 6.749 4.752 -2.915 36 HB2 ALA 6 HB2 ALA 6 7.734 4.537 -4.362 37 HB3 ALA 6 HB3 ALA 6 7.965 5.955 -3.341 38 H CGU 7 HN CGU 7 10.438 6.064 -2.594 39 HA CGU 7 HA CGU 7 12.183 4.967 -4.694 40 HB2 CGU 7 HB1 CGU 7 13.489 7.011 -4.356 41 HB3 CGU 7 HB2 CGU 7 12.604 7.361 -2.875 42 HG CGU 7 HG CGU 7 10.485 7.360 -4.374 43 H LYS 8 HN LYS 8 11.748 3.703 -1.937 44 HA LYS 8 HA LYS 8 14.639 3.330 -1.308 45 HB2 LYS 8 HB2 LYS 8 13.521 4.918 0.316 46 HB3 LYS 8 HB1 LYS 8 12.501 3.568 0.807 47 HG2 LYS 8 HG2 LYS 8 14.185 3.138 2.281 48 HG3 LYS 8 HG1 LYS 8 14.940 2.385 0.885 49 HD2 LYS 8 HD2 LYS 8 15.343 5.262 1.758 50 HD3 LYS 8 HD1 LYS 8 16.487 3.968 1.997 51 HE2 LYS 8 HE2 LYS 8 17.328 4.942 0.068 52 HE3 LYS 8 HE1 LYS 8 16.301 3.683 -0.611 53 HZ1 LYS 8 HZ1 LYS 8 14.872 6.134 -0.066 54 HZ2 LYS 8 HZ2 LYS 8 14.932 5.207 -1.509 55 HZ3 LYS 8 HZ3 LYS 8 16.148 6.347 -1.170 56 H ALA 9 HN ALA 9 11.469 2.117 -0.189 57 HA ALA 9 HA ALA 9 10.743 -0.107 0.091 58 HB1 ALA 9 HB1 ALA 9 12.892 -0.991 -1.833 59 HB2 ALA 9 HB2 ALA 9 11.497 -0.085 -2.422 60 HB3 ALA 9 HB3 ALA 9 11.266 -1.639 -1.620 61 HA PRO 10 HA PRO 10 14.113 -0.174 3.318 62 HB2 PRO 10 HB2 PRO 10 12.320 -1.948 4.745 63 HB3 PRO 10 HB1 PRO 10 12.763 -0.254 5.122 64 HG2 PRO 10 HG2 PRO 10 10.409 -1.318 3.707 65 HG3 PRO 10 HG1 PRO 10 10.621 0.215 4.567 66 HD2 PRO 10 HD2 PRO 10 10.449 0.133 1.883 67 HD3 PRO 10 HD1 PRO 10 11.525 1.294 2.699 68 H CGU 11 HN CGU 11 13.448 -2.402 1.057 69 HA CGU 11 HA CGU 11 14.738 -4.681 2.431 70 HB2 CGU 11 HB1 CGU 11 14.276 -5.108 -0.387 71 HB3 CGU 11 HB2 CGU 11 12.810 -4.455 0.340 72 HG CGU 11 HG CGU 11 12.846 -6.205 2.049 73 H PHE 12 HN PHE 12 15.288 -1.990 0.326 74 HA PHE 12 HA PHE 12 17.637 -2.902 -1.055 75 HB2 PHE 12 HB2 PHE 12 17.949 -0.640 -1.650 76 HB3 PHE 12 HB1 PHE 12 16.209 -0.711 -1.358 77 HD1 PHE 12 HD1 PHE 12 19.245 0.935 -0.475 78 HD2 PHE 12 HD2 PHE 12 15.436 -0.257 1.100 79 HE1 PHE 12 HE1 PHE 12 19.485 2.577 1.368 80 HE2 PHE 12 HE2 PHE 12 15.674 1.380 2.936 81 HZ PHE 12 HZ PHE 12 17.691 2.796 3.068 82 H ALA 13 HN ALA 13 17.137 -1.271 2.053 83 HA ALA 13 HA ALA 13 19.758 -0.788 2.867 84 HB1 ALA 13 HB1 ALA 13 18.824 -1.335 5.227 85 HB2 ALA 13 HB2 ALA 13 17.294 -1.637 4.404 86 HB3 ALA 13 HB3 ALA 13 18.040 -0.042 4.321 87 H ARG 14 HN ARG 14 17.864 -3.780 3.416 88 HA ARG 14 HA ARG 14 20.170 -5.220 4.382 89 HB2 ARG 14 HB2 ARG 14 17.565 -6.430 3.429 90 HB3 ARG 14 HB1 ARG 14 18.729 -7.120 4.556 91 HG2 ARG 14 HG2 ARG 14 18.301 -5.310 6.146 92 HG3 ARG 14 HG1 ARG 14 17.157 -4.571 5.011 93 HD2 ARG 14 HD2 ARG 14 16.775 -7.434 5.844 94 HD3 ARG 14 HD1 ARG 14 16.249 -6.135 6.920 95 HE ARG 14 HE ARG 14 15.233 -6.492 4.110 96 HH11 ARG 14 HH11 ARG 14 14.433 -3.901 4.655 97 HH12 ARG 14 HH12 ARG 14 13.048 -4.036 5.695 98 HH21 ARG 14 HH21 ARG 14 13.702 -7.293 6.609 99 HH22 ARG 14 HH22 ARG 14 12.635 -5.945 6.793 100 H CGU 15 HN CGU 15 18.505 -4.944 1.246 101 HA CGU 15 HA CGU 15 19.829 -7.105 -0.058 102 HB2 CGU 15 HB1 CGU 15 19.406 -5.744 -2.183 103 HB3 CGU 15 HB2 CGU 15 18.705 -4.510 -1.137 104 HG CGU 15 HG CGU 15 17.274 -6.427 -0.156 105 H LEU 16 HN LEU 16 20.989 -3.952 0.855 106 HA LEU 16 HA LEU 16 23.497 -4.606 -0.612 107 HB2 LEU 16 HB2 LEU 16 24.247 -2.325 -0.221 108 HB3 LEU 16 HB1 LEU 16 22.713 -2.348 -1.103 109 HG LEU 16 HG LEU 16 21.728 -2.216 1.395 110 HD11 LEU 16 HD11 LEU 16 23.802 -2.194 2.596 111 HD12 LEU 16 HD12 LEU 16 23.198 -0.540 2.632 112 HD13 LEU 16 HD13 LEU 16 24.490 -0.984 1.516 113 HD21 LEU 16 HD21 LEU 16 20.942 -0.459 0.192 114 HD22 LEU 16 HD22 LEU 16 22.472 -0.239 -0.658 115 HD23 LEU 16 HD23 LEU 16 22.248 0.449 0.951 116 H ALA 17 HN ALA 17 22.011 -4.203 2.493 117 HA ALA 17 HA ALA 17 24.199 -3.899 4.216 118 HB1 ALA 17 HB1 ALA 17 21.823 -4.199 4.980 119 HB2 ALA 17 HB2 ALA 17 22.960 -5.212 5.867 120 HB3 ALA 17 HB3 ALA 17 21.958 -5.916 4.600 121 H ASN 18 HN ASN 18 23.084 -6.801 2.469 122 HA ASN 18 HA ASN 18 25.252 -8.450 3.550 123 HB2 ASN 18 HB2 ASN 18 24.617 -9.983 1.609 124 HB3 ASN 18 HB1 ASN 18 23.343 -9.655 2.779 125 HD21 ASN 18 HD21 ASN 18 23.874 -6.857 0.972 126 HD22 ASN 18 HD22 ASN 18 22.648 -7.087 -0.208 127 H TYR 19 HN TYR 19 25.166 -5.971 1.223 128 HA TYR 19 HA TYR 19 27.918 -6.088 0.642 129 HB2 TYR 19 HB2 TYR 19 28.054 -6.941 -1.569 130 HB3 TYR 19 HB1 TYR 19 27.090 -8.125 -0.698 131 HD1 TYR 19 HD1 TYR 19 27.066 -5.463 -3.233 132 HD2 TYR 19 HD2 TYR 19 24.666 -8.295 -1.076 133 HE1 TYR 19 HE1 TYR 19 25.196 -5.086 -4.818 134 HE2 TYR 19 HE2 TYR 19 22.797 -7.918 -2.661 135 HN1 NH2 20 HN1 NH2 20 24.958 -5.227 -1.180 136 HN2 NH2 20 HN2 NH2 20 25.403 -3.577 -1.381 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 3.900 8.423 1.873 2 H2 GLY 1 HT2 GLY 1 4.915 9.800 1.929 3 H3 GLY 1 HT3 GLY 1 3.983 9.376 3.285 4 HA2 GLY 1 HA1 GLY 1 6.467 8.800 3.320 5 HA3 GLY 1 HA2 GLY 1 5.314 7.564 3.827 6 H GLU 2 HN GLU 2 4.378 6.382 1.724 7 HA GLU 2 HA GLU 2 6.308 4.680 0.674 8 HB2 GLU 2 HB2 GLU 2 4.428 4.960 -1.407 9 HB3 GLU 2 HB1 GLU 2 4.395 3.774 -0.105 10 HG2 GLU 2 HG2 GLU 2 2.279 5.146 -0.330 11 HG3 GLU 2 HG1 GLU 2 3.014 5.208 1.268 12 H CGU 3 HN CGU 3 4.896 7.371 -1.207 13 HA CGU 3 HA CGU 3 6.603 7.328 -3.407 14 HB2 CGU 3 HB1 CGU 3 5.763 9.933 -2.102 15 HB3 CGU 3 HB2 CGU 3 4.572 8.862 -2.875 16 HG CGU 3 HG CGU 3 5.051 10.091 -4.721 17 H CGU 4 HN CGU 4 7.177 8.884 -0.269 18 HA CGU 4 HA CGU 4 9.801 9.879 -1.028 19 HB2 CGU 4 HB1 CGU 4 10.019 10.527 1.265 20 HB3 CGU 4 HB2 CGU 4 8.770 9.406 1.777 21 HG CGU 4 HG CGU 4 8.266 11.994 1.455 22 H LEU 5 HN LEU 5 8.554 7.131 0.874 23 HA LEU 5 HA LEU 5 11.166 6.016 1.434 24 HB2 LEU 5 HB2 LEU 5 8.367 4.842 1.455 25 HB3 LEU 5 HB1 LEU 5 9.813 3.911 1.930 26 HG LEU 5 HG LEU 5 9.171 6.599 3.171 27 HD11 LEU 5 HD11 LEU 5 8.381 3.880 4.258 28 HD12 LEU 5 HD12 LEU 5 7.255 4.982 3.463 29 HD13 LEU 5 HD13 LEU 5 8.033 5.454 4.974 30 HD21 LEU 5 HD21 LEU 5 10.536 5.570 5.030 31 HD22 LEU 5 HD22 LEU 5 11.437 5.798 3.531 32 HD23 LEU 5 HD23 LEU 5 10.847 4.195 3.970 33 H ALA 6 HN ALA 6 8.769 5.527 -1.161 34 HA ALA 6 HA ALA 6 9.871 3.243 -2.410 35 HB1 ALA 6 HB1 ALA 6 7.805 4.680 -3.073 36 HB2 ALA 6 HB2 ALA 6 8.725 3.918 -4.368 37 HB3 ALA 6 HB3 ALA 6 8.951 5.631 -4.017 38 H CGU 7 HN CGU 7 11.151 6.454 -2.180 39 HA CGU 7 HA CGU 7 13.096 6.182 -4.347 40 HB2 CGU 7 HB1 CGU 7 13.975 8.283 -3.584 41 HB3 CGU 7 HB2 CGU 7 13.262 8.075 -1.983 42 HG CGU 7 HG CGU 7 10.994 8.108 -3.084 43 H LYS 8 HN LYS 8 12.770 4.640 -1.460 44 HA LYS 8 HA LYS 8 15.618 3.863 -1.457 45 HB2 LYS 8 HB2 LYS 8 15.440 5.810 0.115 46 HB3 LYS 8 HB1 LYS 8 14.288 4.868 1.065 47 HG2 LYS 8 HG2 LYS 8 16.165 4.128 2.149 48 HG3 LYS 8 HG1 LYS 8 16.271 3.042 0.772 49 HD2 LYS 8 HD2 LYS 8 17.545 5.786 0.791 50 HD3 LYS 8 HD1 LYS 8 18.398 4.346 1.278 51 HE2 LYS 8 HE2 LYS 8 18.987 4.261 -0.923 52 HE3 LYS 8 HE1 LYS 8 17.405 3.505 -1.104 53 HZ1 LYS 8 HZ1 LYS 8 18.143 5.664 -2.461 54 HZ2 LYS 8 HZ2 LYS 8 17.466 6.423 -1.105 55 HZ3 LYS 8 HZ3 LYS 8 16.518 5.369 -2.048 56 H ALA 9 HN ALA 9 12.722 3.548 0.599 57 HA ALA 9 HA ALA 9 11.698 1.613 1.454 58 HB1 ALA 9 HB1 ALA 9 11.477 -0.252 -0.043 59 HB2 ALA 9 HB2 ALA 9 12.951 0.183 -0.907 60 HB3 ALA 9 HB3 ALA 9 11.510 1.186 -1.064 61 HA PRO 10 HA PRO 10 15.753 0.954 3.644 62 HB2 PRO 10 HB2 PRO 10 14.127 -0.225 5.730 63 HB3 PRO 10 HB1 PRO 10 15.011 1.331 5.737 64 HG2 PRO 10 HG2 PRO 10 12.174 0.777 5.196 65 HG3 PRO 10 HG1 PRO 10 12.959 2.274 5.721 66 HD2 PRO 10 HD2 PRO 10 11.957 1.994 3.229 67 HD3 PRO 10 HD1 PRO 10 13.422 2.957 3.539 68 H CGU 11 HN CGU 11 14.011 -1.179 1.955 69 HA CGU 11 HA CGU 11 15.005 -3.647 3.221 70 HB2 CGU 11 HB1 CGU 11 13.087 -2.948 1.007 71 HB3 CGU 11 HB2 CGU 11 12.842 -4.015 2.385 72 HG CGU 11 HG CGU 11 14.615 -4.623 0.002 73 H PHE 12 HN PHE 12 15.702 -1.301 0.753 74 HA PHE 12 HA PHE 12 17.468 -2.899 -0.890 75 HB2 PHE 12 HB2 PHE 12 18.072 -0.856 -1.899 76 HB3 PHE 12 HB1 PHE 12 16.466 -0.474 -1.273 77 HD1 PHE 12 HD1 PHE 12 19.881 0.517 -1.293 78 HD2 PHE 12 HD2 PHE 12 16.391 0.407 1.202 79 HE1 PHE 12 HE1 PHE 12 20.867 2.259 0.173 80 HE2 PHE 12 HE2 PHE 12 17.374 2.141 2.664 81 HZ PHE 12 HZ PHE 12 19.604 3.069 2.150 82 H ALA 13 HN ALA 13 17.828 -0.905 1.994 83 HA ALA 13 HA ALA 13 20.608 -0.900 2.347 84 HB1 ALA 13 HB1 ALA 13 19.495 0.362 3.959 85 HB2 ALA 13 HB2 ALA 13 19.853 -1.087 4.898 86 HB3 ALA 13 HB3 ALA 13 18.247 -0.858 4.204 87 H ARG 14 HN ARG 14 18.210 -3.325 3.404 88 HA ARG 14 HA ARG 14 20.229 -5.142 4.369 89 HB2 ARG 14 HB2 ARG 14 17.362 -5.819 3.666 90 HB3 ARG 14 HB1 ARG 14 18.432 -6.687 4.763 91 HG2 ARG 14 HG2 ARG 14 18.559 -4.681 6.204 92 HG3 ARG 14 HG1 ARG 14 17.428 -3.851 5.118 93 HD2 ARG 14 HD2 ARG 14 16.481 -6.499 5.983 94 HD3 ARG 14 HD1 ARG 14 16.700 -5.367 7.319 95 HE ARG 14 HE ARG 14 14.810 -5.012 5.046 96 HH11 ARG 14 HH11 ARG 14 14.034 -5.098 7.945 97 HH12 ARG 14 HH12 ARG 14 13.790 -3.422 8.296 98 HH21 ARG 14 HH21 ARG 14 15.455 -2.337 5.457 99 HH22 ARG 14 HH22 ARG 14 14.593 -1.865 6.893 100 H CGU 15 HN CGU 15 18.412 -4.751 1.329 101 HA CGU 15 HA CGU 15 19.197 -7.224 0.134 102 HB2 CGU 15 HB1 CGU 15 18.904 -5.928 -2.075 103 HB3 CGU 15 HB2 CGU 15 18.444 -4.557 -1.067 104 HG CGU 15 HG CGU 15 16.777 -6.123 0.066 105 H LEU 16 HN LEU 16 21.001 -4.290 0.666 106 HA LEU 16 HA LEU 16 23.203 -5.531 -0.922 107 HB2 LEU 16 HB2 LEU 16 24.402 -3.412 -0.772 108 HB3 LEU 16 HB1 LEU 16 22.824 -3.204 -1.545 109 HG LEU 16 HG LEU 16 22.081 -2.715 0.988 110 HD11 LEU 16 HD11 LEU 16 24.798 -2.994 1.336 111 HD12 LEU 16 HD12 LEU 16 23.738 -2.083 2.410 112 HD13 LEU 16 HD13 LEU 16 24.633 -1.250 1.141 113 HD21 LEU 16 HD21 LEU 16 22.402 -0.301 0.484 114 HD22 LEU 16 HD22 LEU 16 21.760 -1.186 -0.900 115 HD23 LEU 16 HD23 LEU 16 23.467 -0.740 -0.852 116 H ALA 17 HN ALA 17 22.092 -4.658 2.231 117 HA ALA 17 HA ALA 17 24.430 -4.654 3.771 118 HB1 ALA 17 HB1 ALA 17 22.129 -4.460 4.733 119 HB2 ALA 17 HB2 ALA 17 23.106 -5.653 5.587 120 HB3 ALA 17 HB3 ALA 17 21.883 -6.180 4.433 121 H ASN 18 HN ASN 18 22.661 -7.424 2.360 122 HA ASN 18 HA ASN 18 24.590 -9.365 3.391 123 HB2 ASN 18 HB2 ASN 18 23.572 -10.876 1.614 124 HB3 ASN 18 HB1 ASN 18 22.447 -10.246 2.812 125 HD21 ASN 18 HD21 ASN 18 23.284 -7.675 0.840 126 HD22 ASN 18 HD22 ASN 18 21.991 -7.783 -0.288 127 H TYR 19 HN TYR 19 24.764 -7.059 0.884 128 HA TYR 19 HA TYR 19 27.418 -7.686 0.178 129 HB2 TYR 19 HB2 TYR 19 27.273 -8.681 -1.972 130 HB3 TYR 19 HB1 TYR 19 26.181 -9.626 -0.972 131 HD1 TYR 19 HD1 TYR 19 23.729 -9.291 -1.134 132 HD2 TYR 19 HD2 TYR 19 26.460 -7.262 -3.752 133 HE1 TYR 19 HE1 TYR 19 21.847 -8.688 -2.628 134 HE2 TYR 19 HE2 TYR 19 24.575 -6.663 -5.250 135 HN1 NH2 20 HN1 NH2 20 24.533 -6.436 -1.539 136 HN2 NH2 20 HN2 NH2 20 25.243 -4.909 -1.897 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 9.730 8.841 3.370 2 H2 GLY 1 HT2 GLY 1 9.512 9.775 4.777 3 H3 GLY 1 HT3 GLY 1 9.762 10.540 3.281 4 HA2 GLY 1 HA1 GLY 1 7.340 9.721 4.484 5 HA3 GLY 1 HA2 GLY 1 7.562 10.634 2.988 6 H GLU 2 HN GLU 2 5.560 9.155 2.392 7 HA GLU 2 HA GLU 2 5.976 6.333 2.012 8 HB2 GLU 2 HB2 GLU 2 3.735 7.270 2.150 9 HB3 GLU 2 HB1 GLU 2 4.025 8.264 0.722 10 HG2 GLU 2 HG2 GLU 2 4.346 5.276 0.544 11 HG3 GLU 2 HG1 GLU 2 2.736 5.988 0.467 12 H CGU 3 HN CGU 3 5.687 8.833 -0.552 13 HA CGU 3 HA CGU 3 6.685 7.234 -2.644 14 HB2 CGU 3 HB1 CGU 3 6.897 10.248 -2.244 15 HB3 CGU 3 HB2 CGU 3 5.644 9.371 -3.167 16 HG CGU 3 HG CGU 3 8.618 9.369 -3.824 17 H CGU 4 HN CGU 4 8.336 9.339 -0.338 18 HA CGU 4 HA CGU 4 11.004 8.986 -1.281 19 HB2 CGU 4 HB1 CGU 4 9.834 9.499 1.467 20 HB3 CGU 4 HB2 CGU 4 10.567 10.670 0.380 21 HG CGU 4 HG CGU 4 12.729 9.273 0.620 22 H LEU 5 HN LEU 5 9.055 7.174 1.121 23 HA LEU 5 HA LEU 5 11.013 5.111 1.564 24 HB2 LEU 5 HB2 LEU 5 8.032 5.350 1.972 25 HB3 LEU 5 HB1 LEU 5 8.820 3.760 2.146 26 HG LEU 5 HG LEU 5 9.696 6.273 3.607 27 HD11 LEU 5 HD11 LEU 5 7.381 5.322 4.198 28 HD12 LEU 5 HD12 LEU 5 8.534 5.484 5.521 29 HD13 LEU 5 HD13 LEU 5 8.245 3.904 4.793 30 HD21 LEU 5 HD21 LEU 5 10.673 4.238 5.044 31 HD22 LEU 5 HD22 LEU 5 11.560 4.910 3.674 32 HD23 LEU 5 HD23 LEU 5 10.615 3.432 3.475 33 H ALA 6 HN ALA 6 8.289 5.493 -0.724 34 HA ALA 6 HA ALA 6 8.531 2.897 -1.939 35 HB1 ALA 6 HB1 ALA 6 7.241 3.811 -3.767 36 HB2 ALA 6 HB2 ALA 6 7.717 5.457 -3.351 37 HB3 ALA 6 HB3 ALA 6 6.639 4.555 -2.284 38 H CGU 7 HN CGU 7 10.123 6.006 -2.697 39 HA CGU 7 HA CGU 7 11.642 4.946 -4.937 40 HB2 CGU 7 HB1 CGU 7 13.025 7.008 -4.642 41 HB3 CGU 7 HB2 CGU 7 12.162 7.345 -3.143 42 HG CGU 7 HG CGU 7 10.011 7.223 -4.610 43 H LYS 8 HN LYS 8 11.782 4.437 -1.616 44 HA LYS 8 HA LYS 8 14.702 3.800 -1.638 45 HB2 LYS 8 HB2 LYS 8 13.909 5.271 0.186 46 HB3 LYS 8 HB1 LYS 8 12.771 4.016 0.683 47 HG2 LYS 8 HG2 LYS 8 14.505 3.394 2.055 48 HG3 LYS 8 HG1 LYS 8 15.030 2.545 0.609 49 HD2 LYS 8 HD2 LYS 8 15.859 5.381 1.282 50 HD3 LYS 8 HD1 LYS 8 16.822 3.979 1.668 51 HE2 LYS 8 HE2 LYS 8 16.058 4.979 -1.078 52 HE3 LYS 8 HE1 LYS 8 17.677 4.836 -0.396 53 HZ1 LYS 8 HZ1 LYS 8 15.849 2.547 -0.954 54 HZ2 LYS 8 HZ2 LYS 8 17.431 2.442 -0.338 55 HZ3 LYS 8 HZ3 LYS 8 17.167 3.010 -1.920 56 H ALA 9 HN ALA 9 11.640 2.420 -0.447 57 HA ALA 9 HA ALA 9 11.014 0.167 -0.203 58 HB1 ALA 9 HB1 ALA 9 11.561 -1.275 -1.962 59 HB2 ALA 9 HB2 ALA 9 13.196 -0.634 -2.112 60 HB3 ALA 9 HB3 ALA 9 11.827 0.298 -2.713 61 HA PRO 10 HA PRO 10 14.376 0.036 3.045 62 HB2 PRO 10 HB2 PRO 10 12.601 -1.809 4.398 63 HB3 PRO 10 HB1 PRO 10 13.014 -0.120 4.836 64 HG2 PRO 10 HG2 PRO 10 10.681 -1.176 3.382 65 HG3 PRO 10 HG1 PRO 10 10.865 0.330 4.295 66 HD2 PRO 10 HD2 PRO 10 10.695 0.331 1.605 67 HD3 PRO 10 HD1 PRO 10 11.734 1.493 2.464 68 H CGU 11 HN CGU 11 13.716 -2.062 0.682 69 HA CGU 11 HA CGU 11 14.893 -4.465 1.900 70 HB2 CGU 11 HB1 CGU 11 14.644 -4.833 -0.872 71 HB3 CGU 11 HB2 CGU 11 13.241 -3.863 -0.432 72 HG CGU 11 HG CGU 11 12.626 -5.486 1.293 73 H PHE 12 HN PHE 12 15.713 -1.667 -0.087 74 HA PHE 12 HA PHE 12 18.120 -2.730 -1.264 75 HB2 PHE 12 HB2 PHE 12 18.659 -0.482 -1.776 76 HB3 PHE 12 HB1 PHE 12 16.894 -0.462 -1.707 77 HD1 PHE 12 HD1 PHE 12 19.905 0.944 -0.365 78 HD2 PHE 12 HD2 PHE 12 15.812 0.069 0.579 79 HE1 PHE 12 HE1 PHE 12 19.993 2.545 1.528 80 HE2 PHE 12 HE2 PHE 12 15.898 1.662 2.465 81 HZ PHE 12 HZ PHE 12 17.979 2.900 2.934 82 H ALA 13 HN ALA 13 17.462 -1.065 1.798 83 HA ALA 13 HA ALA 13 20.014 -0.736 2.844 84 HB1 ALA 13 HB1 ALA 13 18.961 -0.400 4.862 85 HB2 ALA 13 HB2 ALA 13 17.962 -1.842 4.706 86 HB3 ALA 13 HB3 ALA 13 17.531 -0.375 3.833 87 H ARG 14 HN ARG 14 17.943 -3.635 3.365 88 HA ARG 14 HA ARG 14 20.169 -5.142 4.418 89 HB2 ARG 14 HB2 ARG 14 17.469 -6.176 3.526 90 HB3 ARG 14 HB1 ARG 14 18.621 -6.994 4.582 91 HG2 ARG 14 HG2 ARG 14 18.488 -4.995 6.118 92 HG3 ARG 14 HG1 ARG 14 17.141 -4.414 5.118 93 HD2 ARG 14 HD2 ARG 14 16.741 -7.201 5.825 94 HD3 ARG 14 HD1 ARG 14 17.001 -6.236 7.280 95 HE ARG 14 HE ARG 14 14.935 -5.133 6.865 96 HH11 ARG 14 HH11 ARG 14 14.757 -4.038 4.356 97 HH12 ARG 14 HH12 ARG 14 13.851 -5.162 3.395 98 HH21 ARG 14 HH21 ARG 14 14.311 -7.803 5.539 99 HH22 ARG 14 HH22 ARG 14 13.623 -7.273 4.042 100 H CGU 15 HN CGU 15 18.580 -4.895 1.252 101 HA CGU 15 HA CGU 15 19.774 -7.174 0.046 102 HB2 CGU 15 HB1 CGU 15 19.562 -5.821 -2.128 103 HB3 CGU 15 HB2 CGU 15 18.885 -4.534 -1.131 104 HG CGU 15 HG CGU 15 17.271 -6.319 -0.220 105 H LEU 16 HN LEU 16 21.157 -4.092 0.895 106 HA LEU 16 HA LEU 16 23.651 -5.002 -0.456 107 HB2 LEU 16 HB2 LEU 16 24.562 -2.772 -0.150 108 HB3 LEU 16 HB1 LEU 16 23.045 -2.708 -1.058 109 HG LEU 16 HG LEU 16 22.039 -2.403 1.418 110 HD11 LEU 16 HD11 LEU 16 23.660 -0.738 2.549 111 HD12 LEU 16 HD12 LEU 16 24.906 -1.472 1.542 112 HD13 LEU 16 HD13 LEU 16 24.022 -2.455 2.707 113 HD21 LEU 16 HD21 LEU 16 22.813 -0.646 -0.759 114 HD22 LEU 16 HD22 LEU 16 22.910 0.193 0.787 115 HD23 LEU 16 HD23 LEU 16 21.399 -0.562 0.289 116 H ALA 17 HN ALA 17 22.105 -4.358 2.587 117 HA ALA 17 HA ALA 17 24.278 -4.157 4.349 118 HB1 ALA 17 HB1 ALA 17 21.846 -4.247 5.040 119 HB2 ALA 17 HB2 ALA 17 22.905 -5.245 6.033 120 HB3 ALA 17 HB3 ALA 17 21.898 -5.993 4.795 121 H ASN 18 HN ASN 18 22.994 -7.021 2.652 122 HA ASN 18 HA ASN 18 24.987 -8.796 3.869 123 HB2 ASN 18 HB2 ASN 18 24.304 -10.343 1.950 124 HB3 ASN 18 HB1 ASN 18 23.025 -9.888 3.071 125 HD21 ASN 18 HD21 ASN 18 23.821 -7.202 1.190 126 HD22 ASN 18 HD22 ASN 18 22.611 -7.378 -0.016 127 H TYR 19 HN TYR 19 25.167 -6.399 1.460 128 HA TYR 19 HA TYR 19 27.921 -6.747 0.978 129 HB2 TYR 19 HB2 TYR 19 28.059 -7.694 -1.191 130 HB3 TYR 19 HB1 TYR 19 26.964 -8.754 -0.320 131 HD1 TYR 19 HD1 TYR 19 27.251 -6.188 -2.948 132 HD2 TYR 19 HD2 TYR 19 24.563 -8.744 -0.783 133 HE1 TYR 19 HE1 TYR 19 25.471 -5.730 -4.612 134 HE2 TYR 19 HE2 TYR 19 22.787 -8.282 -2.449 135 HN1 NH2 20 HN1 NH2 20 25.098 -5.719 -0.971 136 HN2 NH2 20 HN2 NH2 20 25.681 -4.119 -1.217 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 6.200 10.996 2.239 2 H2 GLY 1 HT2 GLY 1 7.762 11.221 1.569 3 H3 GLY 1 HT3 GLY 1 7.355 11.957 3.052 4 HA2 GLY 1 HA1 GLY 1 8.783 9.974 3.338 5 HA3 GLY 1 HA2 GLY 1 7.225 9.838 4.154 6 H GLU 2 HN GLU 2 5.450 8.904 2.678 7 HA GLU 2 HA GLU 2 5.874 6.253 2.020 8 HB2 GLU 2 HB2 GLU 2 4.055 7.140 0.060 9 HB3 GLU 2 HB1 GLU 2 3.660 6.502 1.653 10 HG2 GLU 2 HG2 GLU 2 2.649 8.769 1.156 11 HG3 GLU 2 HG1 GLU 2 3.624 8.719 2.618 12 H CGU 3 HN CGU 3 5.742 8.820 -0.476 13 HA CGU 3 HA CGU 3 6.777 7.237 -2.581 14 HB2 CGU 3 HB1 CGU 3 7.011 10.242 -2.146 15 HB3 CGU 3 HB2 CGU 3 5.688 9.399 -2.998 16 HG CGU 3 HG CGU 3 8.616 9.324 -3.818 17 H CGU 4 HN CGU 4 8.451 9.414 -0.302 18 HA CGU 4 HA CGU 4 11.091 9.064 -1.277 19 HB2 CGU 4 HB1 CGU 4 11.750 9.567 1.113 20 HB3 CGU 4 HB2 CGU 4 10.047 9.500 1.541 21 HG CGU 4 HG CGU 4 11.380 11.436 -0.382 22 H LEU 5 HN LEU 5 9.184 7.215 1.089 23 HA LEU 5 HA LEU 5 11.222 5.192 1.509 24 HB2 LEU 5 HB2 LEU 5 8.209 5.164 1.936 25 HB3 LEU 5 HB1 LEU 5 9.309 3.858 2.458 26 HG LEU 5 HG LEU 5 9.675 6.753 3.302 27 HD11 LEU 5 HD11 LEU 5 8.659 5.983 5.475 28 HD12 LEU 5 HD12 LEU 5 8.158 4.502 4.657 29 HD13 LEU 5 HD13 LEU 5 7.509 6.058 4.141 30 HD21 LEU 5 HD21 LEU 5 11.673 5.473 3.604 31 HD22 LEU 5 HD22 LEU 5 10.773 4.069 4.183 32 HD23 LEU 5 HD23 LEU 5 10.899 5.514 5.189 33 H ALA 6 HN ALA 6 8.359 5.529 -0.596 34 HA ALA 6 HA ALA 6 8.496 2.944 -1.824 35 HB1 ALA 6 HB1 ALA 6 6.690 4.798 -2.069 36 HB2 ALA 6 HB2 ALA 6 7.067 3.834 -3.497 37 HB3 ALA 6 HB3 ALA 6 7.738 5.456 -3.327 38 H CGU 7 HN CGU 7 10.187 5.980 -2.517 39 HA CGU 7 HA CGU 7 11.582 4.917 -4.856 40 HB2 CGU 7 HB1 CGU 7 12.953 7.002 -4.626 41 HB3 CGU 7 HB2 CGU 7 12.124 7.348 -3.111 42 HG CGU 7 HG CGU 7 9.937 7.168 -4.530 43 H LYS 8 HN LYS 8 11.725 4.075 -1.717 44 HA LYS 8 HA LYS 8 14.670 3.534 -1.790 45 HB2 LYS 8 HB2 LYS 8 14.034 5.149 -0.014 46 HB3 LYS 8 HB1 LYS 8 12.915 3.951 0.642 47 HG2 LYS 8 HG2 LYS 8 14.739 3.394 1.927 48 HG3 LYS 8 HG1 LYS 8 15.128 2.430 0.504 49 HD2 LYS 8 HD2 LYS 8 16.116 5.250 1.015 50 HD3 LYS 8 HD1 LYS 8 17.062 3.802 1.225 51 HE2 LYS 8 HE2 LYS 8 16.527 3.272 -1.230 52 HE3 LYS 8 HE1 LYS 8 16.008 4.956 -1.342 53 HZ1 LYS 8 HZ1 LYS 8 18.684 3.855 -0.961 54 HZ2 LYS 8 HZ2 LYS 8 18.327 5.301 -0.145 55 HZ3 LYS 8 HZ3 LYS 8 18.190 5.219 -1.838 56 H ALA 9 HN ALA 9 11.678 2.346 -0.237 57 HA ALA 9 HA ALA 9 11.009 0.129 0.197 58 HB1 ALA 9 HB1 ALA 9 12.935 -0.744 -1.965 59 HB2 ALA 9 HB2 ALA 9 11.417 0.058 -2.368 60 HB3 ALA 9 HB3 ALA 9 11.399 -1.481 -1.504 61 HA PRO 10 HA PRO 10 14.698 0.045 3.042 62 HB2 PRO 10 HB2 PRO 10 13.096 -1.782 4.612 63 HB3 PRO 10 HB1 PRO 10 13.551 -0.087 4.977 64 HG2 PRO 10 HG2 PRO 10 11.073 -1.165 3.805 65 HG3 PRO 10 HG1 PRO 10 11.352 0.353 4.670 66 HD2 PRO 10 HD2 PRO 10 10.891 0.324 2.018 67 HD3 PRO 10 HD1 PRO 10 12.030 1.488 2.738 68 H CGU 11 HN CGU 11 13.496 -2.280 0.966 69 HA CGU 11 HA CGU 11 14.900 -4.591 2.019 70 HB2 CGU 11 HB1 CGU 11 14.453 -4.752 -0.817 71 HB3 CGU 11 HB2 CGU 11 13.016 -4.064 -0.068 72 HG CGU 11 HG CGU 11 12.885 -5.949 1.487 73 H PHE 12 HN PHE 12 15.576 -1.766 0.075 74 HA PHE 12 HA PHE 12 17.932 -2.729 -1.275 75 HB2 PHE 12 HB2 PHE 12 18.333 -0.475 -1.820 76 HB3 PHE 12 HB1 PHE 12 16.588 -0.472 -1.554 77 HD1 PHE 12 HD1 PHE 12 15.749 0.068 0.823 78 HD2 PHE 12 HD2 PHE 12 19.734 0.915 -0.522 79 HE1 PHE 12 HE1 PHE 12 16.037 1.654 2.698 80 HE2 PHE 12 HE2 PHE 12 20.022 2.513 1.355 81 HZ PHE 12 HZ PHE 12 18.162 2.879 2.956 82 H ALA 13 HN ALA 13 17.388 -1.127 1.843 83 HA ALA 13 HA ALA 13 20.012 -0.822 2.754 84 HB1 ALA 13 HB1 ALA 13 17.461 -1.544 4.224 85 HB2 ALA 13 HB2 ALA 13 18.244 0.033 4.121 86 HB3 ALA 13 HB3 ALA 13 18.982 -1.256 5.071 87 H ARG 14 HN ARG 14 17.881 -3.672 3.117 88 HA ARG 14 HA ARG 14 19.997 -5.299 4.208 89 HB2 ARG 14 HB2 ARG 14 17.378 -6.247 3.031 90 HB3 ARG 14 HB1 ARG 14 18.407 -7.098 4.180 91 HG2 ARG 14 HG2 ARG 14 18.065 -5.289 5.823 92 HG3 ARG 14 HG1 ARG 14 17.008 -4.454 4.670 93 HD2 ARG 14 HD2 ARG 14 15.796 -5.861 6.403 94 HD3 ARG 14 HD1 ARG 14 15.400 -6.234 4.723 95 HE ARG 14 HE ARG 14 17.556 -7.855 5.924 96 HH11 ARG 14 HH11 ARG 14 15.991 -9.279 7.401 97 HH12 ARG 14 HH12 ARG 14 14.895 -10.178 6.413 98 HH21 ARG 14 HH21 ARG 14 15.412 -8.195 3.628 99 HH22 ARG 14 HH22 ARG 14 14.565 -9.565 4.266 100 H CGU 15 HN CGU 15 18.619 -4.835 0.960 101 HA CGU 15 HA CGU 15 19.870 -7.064 -0.302 102 HB2 CGU 15 HB1 CGU 15 19.764 -5.602 -2.406 103 HB3 CGU 15 HB2 CGU 15 19.081 -4.343 -1.378 104 HG CGU 15 HG CGU 15 17.428 -6.215 -0.607 105 H LEU 16 HN LEU 16 21.166 -4.046 0.808 106 HA LEU 16 HA LEU 16 23.765 -4.828 -0.423 107 HB2 LEU 16 HB2 LEU 16 24.589 -2.591 0.134 108 HB3 LEU 16 HB1 LEU 16 23.182 -2.524 -0.937 109 HG LEU 16 HG LEU 16 21.930 -2.447 1.468 110 HD11 LEU 16 HD11 LEU 16 24.685 -1.969 2.066 111 HD12 LEU 16 HD12 LEU 16 23.304 -1.900 3.159 112 HD13 LEU 16 HD13 LEU 16 23.808 -0.454 2.287 113 HD21 LEU 16 HD21 LEU 16 21.433 -0.855 -0.231 114 HD22 LEU 16 HD22 LEU 16 23.072 -0.204 -0.203 115 HD23 LEU 16 HD23 LEU 16 21.982 0.093 1.150 116 H ALA 17 HN ALA 17 22.011 -4.381 2.545 117 HA ALA 17 HA ALA 17 24.056 -4.250 4.461 118 HB1 ALA 17 HB1 ALA 17 21.658 -6.110 4.636 119 HB2 ALA 17 HB2 ALA 17 21.596 -4.384 5.003 120 HB3 ALA 17 HB3 ALA 17 22.587 -5.459 5.987 121 H ASN 18 HN ASN 18 22.931 -7.007 2.515 122 HA ASN 18 HA ASN 18 24.829 -8.851 3.779 123 HB2 ASN 18 HB2 ASN 18 24.302 -10.287 1.745 124 HB3 ASN 18 HB1 ASN 18 22.923 -9.867 2.757 125 HD21 ASN 18 HD21 ASN 18 23.922 -7.104 1.078 126 HD22 ASN 18 HD22 ASN 18 22.834 -7.215 -0.248 127 H TYR 19 HN TYR 19 25.172 -6.308 1.558 128 HA TYR 19 HA TYR 19 27.950 -6.562 1.280 129 HB2 TYR 19 HB2 TYR 19 28.335 -7.482 -0.840 130 HB3 TYR 19 HB1 TYR 19 27.076 -8.531 -0.210 131 HD1 TYR 19 HD1 TYR 19 27.869 -5.826 -2.573 132 HD2 TYR 19 HD2 TYR 19 24.781 -8.388 -1.044 133 HE1 TYR 19 HE1 TYR 19 26.392 -5.170 -4.452 134 HE2 TYR 19 HE2 TYR 19 23.304 -7.732 -2.925 135 HN1 NH2 20 HN1 NH2 20 25.264 -5.528 -0.861 136 HN2 NH2 20 HN2 NH2 20 25.808 -3.899 -0.974 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 5.635 9.231 5.143 2 H2 GLY 1 HT2 GLY 1 5.931 9.564 3.495 3 H3 GLY 1 HT3 GLY 1 6.777 10.411 4.711 4 HA2 GLY 1 HA1 GLY 1 8.409 8.916 4.532 5 HA3 GLY 1 HA2 GLY 1 7.291 7.759 5.257 6 H GLU 2 HN GLU 2 5.465 7.256 3.450 7 HA GLU 2 HA GLU 2 6.358 5.413 1.626 8 HB2 GLU 2 HB2 GLU 2 4.297 5.898 0.323 9 HB3 GLU 2 HB1 GLU 2 3.985 5.836 2.056 10 HG2 GLU 2 HG2 GLU 2 4.231 8.312 0.314 11 HG3 GLU 2 HG1 GLU 2 2.824 7.774 1.222 12 H CGU 3 HN CGU 3 5.958 8.869 0.942 13 HA CGU 3 HA CGU 3 6.710 8.953 -1.745 14 HB2 CGU 3 HB1 CGU 3 7.478 10.979 0.397 15 HB3 CGU 3 HB2 CGU 3 5.879 10.890 -0.382 16 HG CGU 3 HG CGU 3 7.155 12.608 -1.500 17 H CGU 4 HN CGU 4 8.848 9.001 1.103 18 HA CGU 4 HA CGU 4 11.229 8.863 -0.641 19 HB2 CGU 4 HB1 CGU 4 10.761 9.074 2.329 20 HB3 CGU 4 HB2 CGU 4 11.726 10.112 1.285 21 HG CGU 4 HG CGU 4 12.414 7.302 2.215 22 H LEU 5 HN LEU 5 9.393 6.866 1.640 23 HA LEU 5 HA LEU 5 11.035 4.549 1.504 24 HB2 LEU 5 HB2 LEU 5 8.050 4.806 1.949 25 HB3 LEU 5 HB1 LEU 5 8.970 3.300 2.192 26 HG LEU 5 HG LEU 5 9.759 5.887 3.557 27 HD11 LEU 5 HD11 LEU 5 8.160 3.765 4.955 28 HD12 LEU 5 HD12 LEU 5 7.312 4.982 4.003 29 HD13 LEU 5 HD13 LEU 5 8.335 5.474 5.352 30 HD21 LEU 5 HD21 LEU 5 10.132 3.049 4.513 31 HD22 LEU 5 HD22 LEU 5 11.062 4.484 4.939 32 HD23 LEU 5 HD23 LEU 5 11.246 3.759 3.344 33 H ALA 6 HN ALA 6 8.280 5.581 -0.575 34 HA ALA 6 HA ALA 6 8.086 3.234 -2.163 35 HB1 ALA 6 HB1 ALA 6 6.717 4.502 -3.452 36 HB2 ALA 6 HB2 ALA 6 8.000 5.655 -3.809 37 HB3 ALA 6 HB3 ALA 6 7.052 5.824 -2.337 38 H CGU 7 HN CGU 7 10.404 5.916 -2.425 39 HA CGU 7 HA CGU 7 11.810 4.508 -4.624 40 HB2 CGU 7 HB1 CGU 7 12.703 6.493 -5.170 41 HB3 CGU 7 HB2 CGU 7 13.265 6.767 -3.525 42 HG CGU 7 HG CGU 7 11.079 7.609 -2.878 43 H LYS 8 HN LYS 8 11.593 3.749 -1.651 44 HA LYS 8 HA LYS 8 14.522 3.280 -1.226 45 HB2 LYS 8 HB2 LYS 8 13.455 4.835 0.450 46 HB3 LYS 8 HB1 LYS 8 12.427 3.484 0.932 47 HG2 LYS 8 HG2 LYS 8 14.124 2.996 2.373 48 HG3 LYS 8 HG1 LYS 8 14.851 2.278 0.945 49 HD2 LYS 8 HD2 LYS 8 15.265 5.164 1.764 50 HD3 LYS 8 HD1 LYS 8 16.369 3.878 2.168 51 HE2 LYS 8 HE2 LYS 8 17.359 4.654 0.230 52 HE3 LYS 8 HE1 LYS 8 16.295 3.420 -0.442 53 HZ1 LYS 8 HZ1 LYS 8 14.986 4.966 -1.409 54 HZ2 LYS 8 HZ2 LYS 8 16.320 6.000 -1.214 55 HZ3 LYS 8 HZ3 LYS 8 15.053 6.026 -0.073 56 H ALA 9 HN ALA 9 11.372 2.029 -0.120 57 HA ALA 9 HA ALA 9 10.681 -0.197 0.221 58 HB1 ALA 9 HB1 ALA 9 12.640 -0.580 -2.066 59 HB2 ALA 9 HB2 ALA 9 10.885 -0.454 -2.178 60 HB3 ALA 9 HB3 ALA 9 11.621 -1.874 -1.434 61 HA PRO 10 HA PRO 10 14.179 -0.401 3.291 62 HB2 PRO 10 HB2 PRO 10 12.454 -2.249 4.713 63 HB3 PRO 10 HB1 PRO 10 12.908 -0.571 5.146 64 HG2 PRO 10 HG2 PRO 10 10.497 -1.586 3.792 65 HG3 PRO 10 HG1 PRO 10 10.741 -0.089 4.706 66 HD2 PRO 10 HD2 PRO 10 10.450 -0.064 2.028 67 HD3 PRO 10 HD1 PRO 10 11.546 1.075 2.846 68 H CGU 11 HN CGU 11 13.440 -2.514 0.957 69 HA CGU 11 HA CGU 11 14.744 -4.877 2.156 70 HB2 CGU 11 HB1 CGU 11 13.091 -4.325 -0.290 71 HB3 CGU 11 HB2 CGU 11 12.935 -5.628 0.881 72 HG CGU 11 HG CGU 11 15.116 -5.389 -1.209 73 H PHE 12 HN PHE 12 15.294 -2.064 0.244 74 HA PHE 12 HA PHE 12 17.616 -2.959 -1.222 75 HB2 PHE 12 HB2 PHE 12 17.919 -0.688 -1.787 76 HB3 PHE 12 HB1 PHE 12 16.181 -0.759 -1.493 77 HD1 PHE 12 HD1 PHE 12 15.415 -0.328 0.974 78 HD2 PHE 12 HD2 PHE 12 19.224 0.870 -0.601 79 HE1 PHE 12 HE1 PHE 12 15.668 1.283 2.830 80 HE2 PHE 12 HE2 PHE 12 19.473 2.496 1.257 81 HZ PHE 12 HZ PHE 12 17.688 2.695 2.972 82 H ALA 13 HN ALA 13 17.075 -1.327 1.878 83 HA ALA 13 HA ALA 13 19.665 -0.901 2.792 84 HB1 ALA 13 HB1 ALA 13 17.285 -0.583 3.943 85 HB2 ALA 13 HB2 ALA 13 18.740 -0.749 4.925 86 HB3 ALA 13 HB3 ALA 13 17.680 -2.137 4.678 87 H ARG 14 HN ARG 14 17.734 -3.889 3.017 88 HA ARG 14 HA ARG 14 19.909 -5.417 4.130 89 HB2 ARG 14 HB2 ARG 14 17.472 -6.548 2.739 90 HB3 ARG 14 HB1 ARG 14 18.478 -7.319 3.960 91 HG2 ARG 14 HG2 ARG 14 17.789 -5.672 5.620 92 HG3 ARG 14 HG1 ARG 14 16.829 -4.816 4.402 93 HD2 ARG 14 HD2 ARG 14 16.355 -7.736 5.020 94 HD3 ARG 14 HD1 ARG 14 15.564 -6.455 5.942 95 HE ARG 14 HE ARG 14 15.251 -6.717 2.961 96 HH11 ARG 14 HH11 ARG 14 13.139 -8.079 4.312 97 HH12 ARG 14 HH12 ARG 14 11.954 -6.856 4.609 98 HH21 ARG 14 HH21 ARG 14 14.176 -4.244 4.123 99 HH22 ARG 14 HH22 ARG 14 12.539 -4.689 4.508 100 H CGU 15 HN CGU 15 18.635 -4.829 0.862 101 HA CGU 15 HA CGU 15 20.096 -6.879 -0.465 102 HB2 CGU 15 HB1 CGU 15 19.988 -5.245 -2.485 103 HB3 CGU 15 HB2 CGU 15 19.023 -4.228 -1.416 104 HG CGU 15 HG CGU 15 17.630 -6.334 -0.942 105 H LEU 16 HN LEU 16 21.212 -3.701 0.623 106 HA LEU 16 HA LEU 16 23.836 -4.554 -0.499 107 HB2 LEU 16 HB2 LEU 16 24.713 -2.368 -0.368 108 HB3 LEU 16 HB1 LEU 16 23.155 -2.271 -1.181 109 HG LEU 16 HG LEU 16 23.418 -0.399 0.368 110 HD11 LEU 16 HD11 LEU 16 21.451 -2.373 1.510 111 HD12 LEU 16 HD12 LEU 16 21.170 -1.391 0.076 112 HD13 LEU 16 HD13 LEU 16 21.387 -0.621 1.647 113 HD21 LEU 16 HD21 LEU 16 24.191 -0.549 2.487 114 HD22 LEU 16 HD22 LEU 16 24.826 -2.108 1.968 115 HD23 LEU 16 HD23 LEU 16 23.285 -2.021 2.826 116 H ALA 17 HN ALA 17 22.078 -4.023 2.397 117 HA ALA 17 HA ALA 17 24.122 -3.748 4.312 118 HB1 ALA 17 HB1 ALA 17 22.693 -5.113 5.837 119 HB2 ALA 17 HB2 ALA 17 21.689 -5.560 4.462 120 HB3 ALA 17 HB3 ALA 17 21.759 -3.880 4.993 121 H ASN 18 HN ASN 18 23.032 -6.651 2.520 122 HA ASN 18 HA ASN 18 25.041 -8.331 3.846 123 HB2 ASN 18 HB2 ASN 18 24.516 -9.916 1.901 124 HB3 ASN 18 HB1 ASN 18 23.187 -9.537 2.992 125 HD21 ASN 18 HD21 ASN 18 23.876 -6.810 1.105 126 HD22 ASN 18 HD22 ASN 18 22.702 -7.063 -0.123 127 H TYR 19 HN TYR 19 25.244 -5.948 1.430 128 HA TYR 19 HA TYR 19 28.031 -6.217 1.081 129 HB2 TYR 19 HB2 TYR 19 28.288 -7.144 -1.094 130 HB3 TYR 19 HB1 TYR 19 27.222 -8.255 -0.252 131 HD1 TYR 19 HD1 TYR 19 27.469 -5.690 -2.877 132 HD2 TYR 19 HD2 TYR 19 24.827 -8.352 -0.784 133 HE1 TYR 19 HE1 TYR 19 25.721 -5.307 -4.595 134 HE2 TYR 19 HE2 TYR 19 23.083 -7.967 -2.504 135 HN1 NH2 20 HN1 NH2 20 25.283 -5.287 -1.021 136 HN2 NH2 20 HN2 NH2 20 25.823 -3.668 -1.238 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 5.932 10.649 2.625 2 H2 GLY 1 HT2 GLY 1 7.311 11.388 1.949 3 H3 GLY 1 HT3 GLY 1 6.936 11.633 3.587 4 HA2 GLY 1 HA1 GLY 1 8.803 10.003 3.104 5 HA3 GLY 1 HA2 GLY 1 7.527 9.444 4.187 6 H GLU 2 HN GLU 2 5.501 8.983 2.389 7 HA GLU 2 HA GLU 2 5.762 6.392 1.493 8 HB2 GLU 2 HB2 GLU 2 3.922 6.920 -0.087 9 HB3 GLU 2 HB1 GLU 2 3.643 7.634 1.499 10 HG2 GLU 2 HG2 GLU 2 4.498 9.013 -1.055 11 HG3 GLU 2 HG1 GLU 2 3.121 9.380 -0.023 12 H CGU 3 HN CGU 3 6.427 9.301 -0.506 13 HA CGU 3 HA CGU 3 7.301 7.797 -2.784 14 HB2 CGU 3 HB1 CGU 3 8.062 10.643 -2.006 15 HB3 CGU 3 HB2 CGU 3 6.626 10.180 -2.961 16 HG CGU 3 HG CGU 3 9.491 9.519 -3.729 17 H CGU 4 HN CGU 4 9.136 9.422 -0.153 18 HA CGU 4 HA CGU 4 11.720 8.574 -1.015 19 HB2 CGU 4 HB1 CGU 4 10.575 9.150 1.731 20 HB3 CGU 4 HB2 CGU 4 11.672 10.151 0.782 21 HG CGU 4 HG CGU 4 12.307 7.496 2.116 22 H LEU 5 HN LEU 5 9.285 7.059 1.094 23 HA LEU 5 HA LEU 5 10.715 4.619 1.567 24 HB2 LEU 5 HB2 LEU 5 7.736 5.221 1.410 25 HB3 LEU 5 HB1 LEU 5 8.397 3.646 1.923 26 HG LEU 5 HG LEU 5 9.196 6.260 3.240 27 HD11 LEU 5 HD11 LEU 5 6.646 5.042 3.326 28 HD12 LEU 5 HD12 LEU 5 7.263 6.306 4.386 29 HD13 LEU 5 HD13 LEU 5 7.441 4.612 4.839 30 HD21 LEU 5 HD21 LEU 5 9.839 4.706 5.076 31 HD22 LEU 5 HD22 LEU 5 10.704 4.348 3.583 32 HD23 LEU 5 HD23 LEU 5 9.342 3.341 4.075 33 H ALA 6 HN ALA 6 8.401 5.627 -0.968 34 HA ALA 6 HA ALA 6 8.461 3.163 -2.454 35 HB1 ALA 6 HB1 ALA 6 7.518 4.436 -4.271 36 HB2 ALA 6 HB2 ALA 6 8.174 5.944 -3.633 37 HB3 ALA 6 HB3 ALA 6 6.862 5.127 -2.786 38 H CGU 7 HN CGU 7 10.497 6.068 -2.536 39 HA CGU 7 HA CGU 7 12.239 4.985 -4.651 40 HB2 CGU 7 HB1 CGU 7 13.563 7.015 -4.269 41 HB3 CGU 7 HB2 CGU 7 12.649 7.358 -2.804 42 HG CGU 7 HG CGU 7 10.561 7.371 -4.348 43 H LYS 8 HN LYS 8 11.787 3.692 -1.901 44 HA LYS 8 HA LYS 8 14.675 3.302 -1.280 45 HB2 LYS 8 HB2 LYS 8 13.564 4.889 0.355 46 HB3 LYS 8 HB1 LYS 8 12.552 3.532 0.850 47 HG2 LYS 8 HG2 LYS 8 14.248 3.103 2.309 48 HG3 LYS 8 HG1 LYS 8 15.002 2.362 0.903 49 HD2 LYS 8 HD2 LYS 8 15.381 5.246 1.763 50 HD3 LYS 8 HD1 LYS 8 16.531 3.963 2.031 51 HE2 LYS 8 HE2 LYS 8 17.391 4.887 0.093 52 HE3 LYS 8 HE1 LYS 8 16.343 3.644 -0.583 53 HZ1 LYS 8 HZ1 LYS 8 14.936 6.108 -0.063 54 HZ2 LYS 8 HZ2 LYS 8 15.025 5.189 -1.511 55 HZ3 LYS 8 HZ3 LYS 8 16.240 6.321 -1.136 56 H ALA 9 HN ALA 9 11.513 2.096 -0.133 57 HA ALA 9 HA ALA 9 10.778 -0.126 0.139 58 HB1 ALA 9 HB1 ALA 9 12.337 -0.106 -2.325 59 HB2 ALA 9 HB2 ALA 9 10.901 -1.048 -1.931 60 HB3 ALA 9 HB3 ALA 9 12.499 -1.650 -1.489 61 HA PRO 10 HA PRO 10 14.178 -0.160 3.335 62 HB2 PRO 10 HB2 PRO 10 12.398 -1.908 4.807 63 HB3 PRO 10 HB1 PRO 10 12.850 -0.210 5.154 64 HG2 PRO 10 HG2 PRO 10 10.474 -1.289 3.787 65 HG3 PRO 10 HG1 PRO 10 10.700 0.256 4.622 66 HD2 PRO 10 HD2 PRO 10 10.492 0.134 1.940 67 HD3 PRO 10 HD1 PRO 10 11.576 1.308 2.725 68 H CGU 11 HN CGU 11 13.440 -2.427 1.119 69 HA CGU 11 HA CGU 11 14.743 -4.691 2.496 70 HB2 CGU 11 HB1 CGU 11 14.259 -5.125 -0.321 71 HB3 CGU 11 HB2 CGU 11 12.801 -4.473 0.421 72 HG CGU 11 HG CGU 11 12.841 -6.226 2.122 73 H PHE 12 HN PHE 12 15.271 -2.028 0.340 74 HA PHE 12 HA PHE 12 17.627 -2.931 -1.027 75 HB2 PHE 12 HB2 PHE 12 17.927 -0.672 -1.629 76 HB3 PHE 12 HB1 PHE 12 16.191 -0.735 -1.315 77 HD1 PHE 12 HD1 PHE 12 15.499 -0.338 1.210 78 HD2 PHE 12 HD2 PHE 12 19.198 0.969 -0.533 79 HE1 PHE 12 HE1 PHE 12 15.770 1.307 3.036 80 HE2 PHE 12 HE2 PHE 12 19.466 2.624 1.296 81 HZ PHE 12 HZ PHE 12 17.746 2.784 3.077 82 H ALA 13 HN ALA 13 17.056 -1.446 2.117 83 HA ALA 13 HA ALA 13 19.662 -0.884 2.971 84 HB1 ALA 13 HB1 ALA 13 17.450 -2.093 4.674 85 HB2 ALA 13 HB2 ALA 13 17.541 -0.387 4.236 86 HB3 ALA 13 HB3 ALA 13 18.797 -1.106 5.243 87 H ARG 14 HN ARG 14 17.835 -3.921 3.522 88 HA ARG 14 HA ARG 14 20.190 -5.322 4.410 89 HB2 ARG 14 HB2 ARG 14 17.551 -6.496 3.505 90 HB3 ARG 14 HB1 ARG 14 18.773 -7.281 4.505 91 HG2 ARG 14 HG2 ARG 14 18.510 -5.420 6.168 92 HG3 ARG 14 HG1 ARG 14 17.149 -4.821 5.191 93 HD2 ARG 14 HD2 ARG 14 17.156 -7.703 6.025 94 HD3 ARG 14 HD1 ARG 14 16.742 -6.486 7.232 95 HE ARG 14 HE ARG 14 15.285 -6.609 4.616 96 HH11 ARG 14 HH11 ARG 14 14.861 -4.657 6.988 97 HH12 ARG 14 HH12 ARG 14 13.412 -5.314 7.665 98 HH21 ARG 14 HH21 ARG 14 13.669 -8.287 5.920 99 HH22 ARG 14 HH22 ARG 14 12.733 -7.378 7.059 100 H CGU 15 HN CGU 15 18.498 -4.997 1.302 101 HA CGU 15 HA CGU 15 19.821 -7.117 -0.076 102 HB2 CGU 15 HB1 CGU 15 19.372 -5.705 -2.155 103 HB3 CGU 15 HB2 CGU 15 18.682 -4.498 -1.072 104 HG CGU 15 HG CGU 15 17.233 -6.398 -0.137 105 H LEU 16 HN LEU 16 20.964 -3.962 0.876 106 HA LEU 16 HA LEU 16 23.458 -4.565 -0.637 107 HB2 LEU 16 HB2 LEU 16 24.183 -2.280 -0.219 108 HB3 LEU 16 HB1 LEU 16 22.633 -2.305 -1.074 109 HG LEU 16 HG LEU 16 21.680 -2.234 1.431 110 HD11 LEU 16 HD11 LEU 16 23.088 -1.433 3.027 111 HD12 LEU 16 HD12 LEU 16 23.912 -0.359 1.898 112 HD13 LEU 16 HD13 LEU 16 24.357 -2.062 1.978 113 HD21 LEU 16 HD21 LEU 16 21.725 -0.507 -0.648 114 HD22 LEU 16 HD22 LEU 16 22.693 0.405 0.511 115 HD23 LEU 16 HD23 LEU 16 21.052 -0.089 0.927 116 H ALA 17 HN ALA 17 22.013 -4.200 2.501 117 HA ALA 17 HA ALA 17 24.227 -3.911 4.186 118 HB1 ALA 17 HB1 ALA 17 22.024 -5.964 4.601 119 HB2 ALA 17 HB2 ALA 17 21.848 -4.246 4.965 120 HB3 ALA 17 HB3 ALA 17 23.021 -5.219 5.850 121 H ASN 18 HN ASN 18 23.107 -6.807 2.419 122 HA ASN 18 HA ASN 18 25.302 -8.450 3.445 123 HB2 ASN 18 HB2 ASN 18 24.675 -9.955 1.480 124 HB3 ASN 18 HB1 ASN 18 23.403 -9.664 2.663 125 HD21 ASN 18 HD21 ASN 18 23.889 -6.829 0.904 126 HD22 ASN 18 HD22 ASN 18 22.660 -7.055 -0.273 127 H TYR 19 HN TYR 19 25.171 -5.933 1.151 128 HA TYR 19 HA TYR 19 27.924 -6.015 0.558 129 HB2 TYR 19 HB2 TYR 19 28.059 -6.831 -1.666 130 HB3 TYR 19 HB1 TYR 19 27.104 -8.034 -0.814 131 HD1 TYR 19 HD1 TYR 19 27.060 -5.338 -3.315 132 HD2 TYR 19 HD2 TYR 19 24.676 -8.195 -1.167 133 HE1 TYR 19 HE1 TYR 19 25.172 -4.940 -4.875 134 HE2 TYR 19 HE2 TYR 19 22.792 -7.793 -2.729 135 HN1 NH2 20 HN1 NH2 20 24.942 -5.136 -1.219 136 HN2 NH2 20 HN2 NH2 20 25.385 -3.484 -1.411 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 6.780 10.911 2.661 2 H2 GLY 1 HT2 GLY 1 8.417 11.184 2.248 3 H3 GLY 1 HT3 GLY 1 7.847 11.617 3.789 4 HA2 GLY 1 HA1 GLY 1 9.200 9.498 3.671 5 HA3 GLY 1 HA2 GLY 1 7.637 9.393 4.480 6 H GLU 2 HN GLU 2 5.773 8.918 2.880 7 HA GLU 2 HA GLU 2 5.855 6.376 1.846 8 HB2 GLU 2 HB2 GLU 2 4.251 7.750 -0.012 9 HB3 GLU 2 HB1 GLU 2 3.716 6.974 1.474 10 HG2 GLU 2 HG2 GLU 2 3.042 9.411 1.246 11 HG3 GLU 2 HG1 GLU 2 3.924 9.030 2.721 12 H CGU 3 HN CGU 3 6.207 9.221 -0.317 13 HA CGU 3 HA CGU 3 7.028 7.767 -2.586 14 HB2 CGU 3 HB1 CGU 3 8.470 10.145 -2.791 15 HB3 CGU 3 HB2 CGU 3 7.100 10.579 -1.734 16 HG CGU 3 HG CGU 3 5.502 10.009 -3.379 17 H CGU 4 HN CGU 4 9.154 9.462 -0.219 18 HA CGU 4 HA CGU 4 11.614 8.494 -1.198 19 HB2 CGU 4 HB1 CGU 4 11.210 8.566 1.766 20 HB3 CGU 4 HB2 CGU 4 10.988 10.071 0.875 21 HG CGU 4 HG CGU 4 13.321 9.748 1.684 22 H LEU 5 HN LEU 5 9.375 7.029 1.181 23 HA LEU 5 HA LEU 5 10.854 4.605 1.540 24 HB2 LEU 5 HB2 LEU 5 7.878 5.202 1.708 25 HB3 LEU 5 HB1 LEU 5 8.590 3.629 2.160 26 HG LEU 5 HG LEU 5 9.517 6.265 3.349 27 HD11 LEU 5 HD11 LEU 5 7.628 4.269 4.623 28 HD12 LEU 5 HD12 LEU 5 7.064 5.722 3.795 29 HD13 LEU 5 HD13 LEU 5 8.085 5.862 5.227 30 HD21 LEU 5 HD21 LEU 5 11.146 4.533 3.629 31 HD22 LEU 5 HD22 LEU 5 9.910 3.331 3.998 32 HD23 LEU 5 HD23 LEU 5 10.269 4.610 5.157 33 H ALA 6 HN ALA 6 8.268 5.534 -0.756 34 HA ALA 6 HA ALA 6 8.206 3.022 -2.173 35 HB1 ALA 6 HB1 ALA 6 7.789 5.652 -3.581 36 HB2 ALA 6 HB2 ALA 6 6.650 5.154 -2.331 37 HB3 ALA 6 HB3 ALA 6 6.889 4.144 -3.757 38 H CGU 7 HN CGU 7 10.147 5.960 -2.575 39 HA CGU 7 HA CGU 7 11.661 4.870 -4.849 40 HB2 CGU 7 HB1 CGU 7 12.914 6.940 -4.728 41 HB3 CGU 7 HB2 CGU 7 12.317 7.263 -3.104 42 HG CGU 7 HG CGU 7 9.949 7.193 -4.252 43 H LYS 8 HN LYS 8 11.547 3.704 -1.963 44 HA LYS 8 HA LYS 8 14.498 3.342 -1.726 45 HB2 LYS 8 HB2 LYS 8 13.587 4.988 -0.024 46 HB3 LYS 8 HB1 LYS 8 12.677 3.641 0.660 47 HG2 LYS 8 HG2 LYS 8 14.570 3.279 1.879 48 HG3 LYS 8 HG1 LYS 8 15.132 2.507 0.403 49 HD2 LYS 8 HD2 LYS 8 15.561 5.430 1.079 50 HD3 LYS 8 HD1 LYS 8 16.764 4.180 1.273 51 HE2 LYS 8 HE2 LYS 8 17.351 5.005 -0.809 52 HE3 LYS 8 HE1 LYS 8 16.262 3.701 -1.272 53 HZ1 LYS 8 HZ1 LYS 8 14.842 5.169 -2.165 54 HZ2 LYS 8 HZ2 LYS 8 16.020 6.372 -1.914 55 HZ3 LYS 8 HZ3 LYS 8 14.817 6.114 -0.742 56 H ALA 9 HN ALA 9 11.562 2.137 -0.072 57 HA ALA 9 HA ALA 9 10.959 -0.084 0.430 58 HB1 ALA 9 HB1 ALA 9 11.161 -0.128 -2.183 59 HB2 ALA 9 HB2 ALA 9 11.152 -1.664 -1.315 60 HB3 ALA 9 HB3 ALA 9 12.676 -0.982 -1.888 61 HA PRO 10 HA PRO 10 14.921 -0.085 2.870 62 HB2 PRO 10 HB2 PRO 10 13.546 -1.977 4.590 63 HB3 PRO 10 HB1 PRO 10 13.998 -0.277 4.928 64 HG2 PRO 10 HG2 PRO 10 11.429 -1.399 4.024 65 HG3 PRO 10 HG1 PRO 10 11.770 0.121 4.864 66 HD2 PRO 10 HD2 PRO 10 11.019 0.087 2.273 67 HD3 PRO 10 HD1 PRO 10 12.196 1.281 2.875 68 H CGU 11 HN CGU 11 13.264 -2.563 1.203 69 HA CGU 11 HA CGU 11 14.825 -4.853 1.814 70 HB2 CGU 11 HB1 CGU 11 13.311 -3.921 -0.639 71 HB3 CGU 11 HB2 CGU 11 12.864 -5.195 0.492 72 HG CGU 11 HG CGU 11 15.271 -5.317 -1.341 73 H PHE 12 HN PHE 12 15.403 -1.922 -0.028 74 HA PHE 12 HA PHE 12 17.751 -2.885 -1.452 75 HB2 PHE 12 HB2 PHE 12 17.962 -0.696 -2.225 76 HB3 PHE 12 HB1 PHE 12 16.251 -0.702 -1.794 77 HD1 PHE 12 HD1 PHE 12 15.686 -0.051 0.679 78 HD2 PHE 12 HD2 PHE 12 19.379 0.923 -1.276 79 HE1 PHE 12 HE1 PHE 12 16.101 1.716 2.356 80 HE2 PHE 12 HE2 PHE 12 19.792 2.704 0.402 81 HZ PHE 12 HZ PHE 12 18.142 3.097 2.217 82 H ALA 13 HN ALA 13 17.163 -1.156 1.576 83 HA ALA 13 HA ALA 13 19.805 -0.642 2.393 84 HB1 ALA 13 HB1 ALA 13 17.799 0.184 3.601 85 HB2 ALA 13 HB2 ALA 13 18.902 -0.651 4.694 86 HB3 ALA 13 HB3 ALA 13 17.443 -1.460 4.126 87 H ARG 14 HN ARG 14 17.760 -3.497 3.086 88 HA ARG 14 HA ARG 14 19.962 -4.948 4.251 89 HB2 ARG 14 HB2 ARG 14 17.347 -6.083 3.238 90 HB3 ARG 14 HB1 ARG 14 18.444 -6.812 4.411 91 HG2 ARG 14 HG2 ARG 14 18.120 -4.830 5.886 92 HG3 ARG 14 HG1 ARG 14 16.922 -4.212 4.732 93 HD2 ARG 14 HD2 ARG 14 15.533 -5.338 6.219 94 HD3 ARG 14 HD1 ARG 14 15.856 -6.617 5.047 95 HE ARG 14 HE ARG 14 17.878 -6.750 7.045 96 HH11 ARG 14 HH11 ARG 14 16.297 -6.482 9.215 97 HH12 ARG 14 HH12 ARG 14 15.360 -7.928 9.362 98 HH21 ARG 14 HH21 ARG 14 15.897 -8.891 6.096 99 HH22 ARG 14 HH22 ARG 14 15.135 -9.294 7.595 100 H CGU 15 HN CGU 15 18.511 -4.764 1.011 101 HA CGU 15 HA CGU 15 19.802 -7.026 -0.141 102 HB2 CGU 15 HB1 CGU 15 19.839 -5.493 -2.293 103 HB3 CGU 15 HB2 CGU 15 18.859 -4.416 -1.310 104 HG CGU 15 HG CGU 15 17.353 -6.422 -0.837 105 H LEU 16 HN LEU 16 21.083 -3.878 0.713 106 HA LEU 16 HA LEU 16 23.674 -4.799 -0.434 107 HB2 LEU 16 HB2 LEU 16 24.521 -2.536 -0.141 108 HB3 LEU 16 HB1 LEU 16 23.077 -2.554 -1.162 109 HG LEU 16 HG LEU 16 21.858 -2.168 1.190 110 HD11 LEU 16 HD11 LEU 16 24.721 -1.536 1.647 111 HD12 LEU 16 HD12 LEU 16 23.465 -1.974 2.805 112 HD13 LEU 16 HD13 LEU 16 23.571 -0.320 2.205 113 HD21 LEU 16 HD21 LEU 16 21.871 -0.701 -0.878 114 HD22 LEU 16 HD22 LEU 16 23.294 0.100 -0.210 115 HD23 LEU 16 HD23 LEU 16 21.755 0.175 0.648 116 H ALA 17 HN ALA 17 21.956 -4.090 2.491 117 HA ALA 17 HA ALA 17 24.032 -3.778 4.358 118 HB1 ALA 17 HB1 ALA 17 22.579 -4.746 6.017 119 HB2 ALA 17 HB2 ALA 17 21.687 -5.654 4.798 120 HB3 ALA 17 HB3 ALA 17 21.535 -3.897 4.880 121 H ASN 18 HN ASN 18 22.877 -6.723 2.703 122 HA ASN 18 HA ASN 18 24.825 -8.408 4.114 123 HB2 ASN 18 HB2 ASN 18 24.264 -10.057 2.245 124 HB3 ASN 18 HB1 ASN 18 22.923 -9.573 3.279 125 HD21 ASN 18 HD21 ASN 18 23.742 -6.955 1.317 126 HD22 ASN 18 HD22 ASN 18 22.601 -7.224 0.061 127 H TYR 19 HN TYR 19 25.081 -6.124 1.612 128 HA TYR 19 HA TYR 19 27.861 -6.432 1.281 129 HB2 TYR 19 HB2 TYR 19 28.120 -7.447 -0.857 130 HB3 TYR 19 HB1 TYR 19 27.047 -8.519 0.028 131 HD1 TYR 19 HD1 TYR 19 27.309 -6.063 -2.697 132 HD2 TYR 19 HD2 TYR 19 24.654 -8.620 -0.497 133 HE1 TYR 19 HE1 TYR 19 25.560 -5.733 -4.425 134 HE2 TYR 19 HE2 TYR 19 22.907 -8.291 -2.224 135 HN1 NH2 20 HN1 NH2 20 25.119 -5.564 -0.850 136 HN2 NH2 20 HN2 NH2 20 25.675 -3.961 -1.138 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 7.403 11.538 2.062 2 H2 GLY 1 HT2 GLY 1 6.466 11.620 3.480 3 H3 GLY 1 HT3 GLY 1 5.910 10.711 2.145 4 HA2 GLY 1 HA1 GLY 1 8.526 10.007 3.293 5 HA3 GLY 1 HA2 GLY 1 7.087 9.576 4.216 6 H GLU 2 HN GLU 2 5.267 8.779 2.465 7 HA GLU 2 HA GLU 2 5.851 6.181 1.711 8 HB2 GLU 2 HB2 GLU 2 4.129 7.090 -0.330 9 HB3 GLU 2 HB1 GLU 2 3.665 6.325 1.185 10 HG2 GLU 2 HG2 GLU 2 2.551 8.554 0.767 11 HG3 GLU 2 HG1 GLU 2 3.442 8.472 2.285 12 H CGU 3 HN CGU 3 5.816 8.869 -0.671 13 HA CGU 3 HA CGU 3 6.988 7.453 -2.793 14 HB2 CGU 3 HB1 CGU 3 8.096 10.022 -3.001 15 HB3 CGU 3 HB2 CGU 3 6.573 10.266 -2.109 16 HG CGU 3 HG CGU 3 5.276 9.322 -3.866 17 H CGU 4 HN CGU 4 8.678 9.553 -0.433 18 HA CGU 4 HA CGU 4 11.321 8.977 -1.184 19 HB2 CGU 4 HB1 CGU 4 11.946 9.611 1.075 20 HB3 CGU 4 HB2 CGU 4 10.321 9.299 1.664 21 HG CGU 4 HG CGU 4 11.139 11.758 1.036 22 H LEU 5 HN LEU 5 9.168 7.208 1.051 23 HA LEU 5 HA LEU 5 11.098 5.116 1.597 24 HB2 LEU 5 HB2 LEU 5 8.068 5.215 1.827 25 HB3 LEU 5 HB1 LEU 5 9.052 3.827 2.362 26 HG LEU 5 HG LEU 5 9.556 6.656 3.337 27 HD11 LEU 5 HD11 LEU 5 7.242 5.962 3.910 28 HD12 LEU 5 HD12 LEU 5 8.271 6.067 5.340 29 HD13 LEU 5 HD13 LEU 5 7.882 4.492 4.648 30 HD21 LEU 5 HD21 LEU 5 10.192 3.984 4.617 31 HD22 LEU 5 HD22 LEU 5 10.829 5.568 5.056 32 HD23 LEU 5 HD23 LEU 5 11.316 4.812 3.541 33 H ALA 6 HN ALA 6 8.398 5.515 -0.714 34 HA ALA 6 HA ALA 6 8.648 2.912 -1.926 35 HB1 ALA 6 HB1 ALA 6 6.695 4.029 -2.563 36 HB2 ALA 6 HB2 ALA 6 7.707 4.277 -3.988 37 HB3 ALA 6 HB3 ALA 6 7.531 5.562 -2.794 38 H CGU 7 HN CGU 7 10.285 6.002 -2.518 39 HA CGU 7 HA CGU 7 11.816 5.004 -4.799 40 HB2 CGU 7 HB1 CGU 7 13.069 7.100 -4.598 41 HB3 CGU 7 HB2 CGU 7 12.401 7.380 -2.993 42 HG CGU 7 HG CGU 7 10.082 7.257 -4.230 43 H LYS 8 HN LYS 8 11.797 4.089 -1.694 44 HA LYS 8 HA LYS 8 14.746 3.569 -1.612 45 HB2 LYS 8 HB2 LYS 8 14.013 5.170 0.147 46 HB3 LYS 8 HB1 LYS 8 12.876 3.958 0.738 47 HG2 LYS 8 HG2 LYS 8 14.642 3.383 2.094 48 HG3 LYS 8 HG1 LYS 8 15.112 2.455 0.675 49 HD2 LYS 8 HD2 LYS 8 16.041 5.271 1.310 50 HD3 LYS 8 HD1 LYS 8 16.998 3.827 1.490 51 HE2 LYS 8 HE2 LYS 8 16.621 3.380 -0.980 52 HE3 LYS 8 HE1 LYS 8 15.959 5.014 -1.076 53 HZ1 LYS 8 HZ1 LYS 8 18.699 4.221 -0.269 54 HZ2 LYS 8 HZ2 LYS 8 18.083 5.791 -0.048 55 HZ3 LYS 8 HZ3 LYS 8 18.245 5.152 -1.614 56 H ALA 9 HN ALA 9 11.677 2.393 -0.220 57 HA ALA 9 HA ALA 9 10.964 0.184 0.168 58 HB1 ALA 9 HB1 ALA 9 11.617 -1.509 -1.472 59 HB2 ALA 9 HB2 ALA 9 12.958 -0.502 -2.019 60 HB3 ALA 9 HB3 ALA 9 11.295 0.008 -2.312 61 HA PRO 10 HA PRO 10 14.515 0.016 3.184 62 HB2 PRO 10 HB2 PRO 10 12.796 -1.780 4.672 63 HB3 PRO 10 HB1 PRO 10 13.271 -0.097 5.063 64 HG2 PRO 10 HG2 PRO 10 10.830 -1.115 3.763 65 HG3 PRO 10 HG1 PRO 10 11.099 0.391 4.653 66 HD2 PRO 10 HD2 PRO 10 10.769 0.392 1.984 67 HD3 PRO 10 HD1 PRO 10 11.903 1.519 2.766 68 H CGU 11 HN CGU 11 13.515 -2.211 0.969 69 HA CGU 11 HA CGU 11 14.798 -4.573 2.129 70 HB2 CGU 11 HB1 CGU 11 14.432 -4.812 -0.698 71 HB3 CGU 11 HB2 CGU 11 12.992 -4.031 -0.052 72 HG CGU 11 HG CGU 11 12.700 -5.841 1.569 73 H PHE 12 HN PHE 12 15.511 -1.776 0.153 74 HA PHE 12 HA PHE 12 17.874 -2.743 -1.160 75 HB2 PHE 12 HB2 PHE 12 18.312 -0.482 -1.669 76 HB3 PHE 12 HB1 PHE 12 16.561 -0.476 -1.442 77 HD1 PHE 12 HD1 PHE 12 15.686 0.009 0.949 78 HD2 PHE 12 HD2 PHE 12 19.670 0.927 -0.352 79 HE1 PHE 12 HE1 PHE 12 15.939 1.569 2.849 80 HE2 PHE 12 HE2 PHE 12 19.925 2.499 1.550 81 HZ PHE 12 HZ PHE 12 18.048 2.817 3.143 82 H ALA 13 HN ALA 13 17.303 -1.219 1.989 83 HA ALA 13 HA ALA 13 19.907 -0.869 2.925 84 HB1 ALA 13 HB1 ALA 13 17.285 -1.491 4.231 85 HB2 ALA 13 HB2 ALA 13 18.345 -0.099 4.449 86 HB3 ALA 13 HB3 ALA 13 18.744 -1.638 5.212 87 H ARG 14 HN ARG 14 17.887 -3.805 3.447 88 HA ARG 14 HA ARG 14 20.144 -5.331 4.369 89 HB2 ARG 14 HB2 ARG 14 17.459 -6.355 3.416 90 HB3 ARG 14 HB1 ARG 14 18.625 -7.217 4.420 91 HG2 ARG 14 HG2 ARG 14 18.443 -5.409 6.120 92 HG3 ARG 14 HG1 ARG 14 17.181 -4.649 5.129 93 HD2 ARG 14 HD2 ARG 14 16.944 -7.536 5.998 94 HD3 ARG 14 HD1 ARG 14 16.428 -6.223 7.059 95 HE ARG 14 HE ARG 14 15.233 -5.694 4.580 96 HH11 ARG 14 HH11 ARG 14 14.307 -6.833 7.445 97 HH12 ARG 14 HH12 ARG 14 13.127 -7.959 6.874 98 HH21 ARG 14 HH21 ARG 14 14.142 -7.695 3.577 99 HH22 ARG 14 HH22 ARG 14 13.032 -8.452 4.681 100 H CGU 15 HN CGU 15 18.536 -4.934 1.217 101 HA CGU 15 HA CGU 15 19.779 -7.121 -0.120 102 HB2 CGU 15 HB1 CGU 15 19.530 -5.646 -2.211 103 HB3 CGU 15 HB2 CGU 15 18.826 -4.439 -1.140 104 HG CGU 15 HG CGU 15 17.249 -6.297 -0.341 105 H LEU 16 HN LEU 16 21.083 -4.049 0.877 106 HA LEU 16 HA LEU 16 23.596 -4.805 -0.536 107 HB2 LEU 16 HB2 LEU 16 24.433 -2.562 -0.078 108 HB3 LEU 16 HB1 LEU 16 22.928 -2.501 -1.008 109 HG LEU 16 HG LEU 16 21.874 -2.395 1.461 110 HD11 LEU 16 HD11 LEU 16 23.980 -0.529 2.140 111 HD12 LEU 16 HD12 LEU 16 24.638 -2.157 1.967 112 HD13 LEU 16 HD13 LEU 16 23.319 -1.854 3.098 113 HD21 LEU 16 HD21 LEU 16 22.259 0.216 1.175 114 HD22 LEU 16 HD22 LEU 16 21.241 -0.679 0.047 115 HD23 LEU 16 HD23 LEU 16 22.905 -0.283 -0.390 116 H ALA 17 HN ALA 17 22.059 -4.348 2.543 117 HA ALA 17 HA ALA 17 24.222 -4.171 4.311 118 HB1 ALA 17 HB1 ALA 17 21.767 -4.382 4.955 119 HB2 ALA 17 HB2 ALA 17 22.871 -5.332 5.946 120 HB3 ALA 17 HB3 ALA 17 21.922 -6.119 4.685 121 H ASN 18 HN ASN 18 23.015 -6.985 2.486 122 HA ASN 18 HA ASN 18 25.055 -8.761 3.618 123 HB2 ASN 18 HB2 ASN 18 24.410 -10.230 1.624 124 HB3 ASN 18 HB1 ASN 18 23.124 -9.867 2.772 125 HD21 ASN 18 HD21 ASN 18 23.856 -7.076 1.006 126 HD22 ASN 18 HD22 ASN 18 22.638 -7.224 -0.195 127 H TYR 19 HN TYR 19 25.167 -6.249 1.330 128 HA TYR 19 HA TYR 19 27.927 -6.501 0.826 129 HB2 TYR 19 HB2 TYR 19 28.090 -7.333 -1.382 130 HB3 TYR 19 HB1 TYR 19 27.007 -8.457 -0.580 131 HD1 TYR 19 HD1 TYR 19 27.282 -5.776 -3.083 132 HD2 TYR 19 HD2 TYR 19 24.596 -8.428 -1.031 133 HE1 TYR 19 HE1 TYR 19 25.499 -5.254 -4.730 134 HE2 TYR 19 HE2 TYR 19 22.821 -7.902 -2.678 135 HN1 NH2 20 HN1 NH2 20 25.075 -5.438 -1.061 136 HN2 NH2 20 HN2 NH2 20 25.614 -3.809 -1.208 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 5.502 10.695 2.005 2 H2 GLY 1 HT2 GLY 1 7.134 11.067 1.637 3 H3 GLY 1 HT3 GLY 1 6.433 11.637 3.082 4 HA2 GLY 1 HA1 GLY 1 7.935 9.713 3.434 5 HA3 GLY 1 HA2 GLY 1 6.281 9.431 3.977 6 H GLU 2 HN GLU 2 4.821 8.552 2.151 7 HA GLU 2 HA GLU 2 5.502 5.985 1.379 8 HB2 GLU 2 HB2 GLU 2 3.975 6.945 -0.784 9 HB3 GLU 2 HB1 GLU 2 3.366 6.161 0.670 10 HG2 GLU 2 HG2 GLU 2 2.316 8.412 0.177 11 HG3 GLU 2 HG1 GLU 2 3.041 8.288 1.775 12 H CGU 3 HN CGU 3 5.619 8.731 -0.918 13 HA CGU 3 HA CGU 3 7.078 7.376 -2.927 14 HB2 CGU 3 HB1 CGU 3 7.054 10.342 -2.241 15 HB3 CGU 3 HB2 CGU 3 5.960 9.510 -3.379 16 HG CGU 3 HG CGU 3 8.986 9.656 -3.654 17 H CGU 4 HN CGU 4 8.231 9.439 -0.255 18 HA CGU 4 HA CGU 4 11.012 9.285 -0.792 19 HB2 CGU 4 HB1 CGU 4 11.235 9.630 1.702 20 HB3 CGU 4 HB2 CGU 4 9.493 9.440 1.834 21 HG CGU 4 HG CGU 4 10.992 11.594 0.308 22 H LEU 5 HN LEU 5 8.841 7.165 1.061 23 HA LEU 5 HA LEU 5 10.907 5.218 1.687 24 HB2 LEU 5 HB2 LEU 5 7.869 5.076 1.663 25 HB3 LEU 5 HB1 LEU 5 8.910 3.725 2.184 26 HG LEU 5 HG LEU 5 9.136 6.501 3.381 27 HD11 LEU 5 HD11 LEU 5 7.742 5.675 5.238 28 HD12 LEU 5 HD12 LEU 5 7.492 4.154 4.383 29 HD13 LEU 5 HD13 LEU 5 6.834 5.651 3.727 30 HD21 LEU 5 HD21 LEU 5 11.046 5.019 3.745 31 HD22 LEU 5 HD22 LEU 5 9.976 3.719 4.269 32 HD23 LEU 5 HD23 LEU 5 10.145 5.174 5.251 33 H ALA 6 HN ALA 6 8.382 5.544 -0.827 34 HA ALA 6 HA ALA 6 8.876 3.051 -2.152 35 HB1 ALA 6 HB1 ALA 6 8.294 5.194 -4.035 36 HB2 ALA 6 HB2 ALA 6 7.267 5.318 -2.609 37 HB3 ALA 6 HB3 ALA 6 7.280 3.833 -3.556 38 H CGU 7 HN CGU 7 10.476 6.205 -2.397 39 HA CGU 7 HA CGU 7 12.237 5.415 -4.580 40 HB2 CGU 7 HB1 CGU 7 13.524 7.467 -3.894 41 HB3 CGU 7 HB2 CGU 7 12.432 7.643 -2.523 42 HG CGU 7 HG CGU 7 10.532 7.608 -4.305 43 H LYS 8 HN LYS 8 11.967 4.143 -1.617 44 HA LYS 8 HA LYS 8 14.890 3.575 -1.435 45 HB2 LYS 8 HB2 LYS 8 14.132 5.241 0.307 46 HB3 LYS 8 HB1 LYS 8 13.088 3.974 0.955 47 HG2 LYS 8 HG2 LYS 8 14.946 3.478 2.206 48 HG3 LYS 8 HG1 LYS 8 15.379 2.583 0.757 49 HD2 LYS 8 HD2 LYS 8 16.173 5.469 1.239 50 HD3 LYS 8 HD1 LYS 8 17.206 4.112 1.600 51 HE2 LYS 8 HE2 LYS 8 17.954 4.607 -0.530 52 HE3 LYS 8 HE1 LYS 8 16.680 3.454 -0.920 53 HZ1 LYS 8 HZ1 LYS 8 16.866 6.137 -1.692 54 HZ2 LYS 8 HZ2 LYS 8 15.545 6.015 -0.641 55 HZ3 LYS 8 HZ3 LYS 8 15.604 5.055 -2.043 56 H ALA 9 HN ALA 9 11.834 2.535 0.091 57 HA ALA 9 HA ALA 9 11.051 0.347 0.493 58 HB1 ALA 9 HB1 ALA 9 11.679 0.346 -2.121 59 HB2 ALA 9 HB2 ALA 9 11.192 -1.129 -1.287 60 HB3 ALA 9 HB3 ALA 9 12.902 -0.795 -1.564 61 HA PRO 10 HA PRO 10 14.766 0.147 3.325 62 HB2 PRO 10 HB2 PRO 10 13.055 -1.521 4.966 63 HB3 PRO 10 HB1 PRO 10 13.624 0.151 5.269 64 HG2 PRO 10 HG2 PRO 10 11.074 -0.800 4.139 65 HG3 PRO 10 HG1 PRO 10 11.457 0.725 4.953 66 HD2 PRO 10 HD2 PRO 10 10.981 0.640 2.307 67 HD3 PRO 10 HD1 PRO 10 12.202 1.744 2.983 68 H CGU 11 HN CGU 11 13.732 -2.042 1.179 69 HA CGU 11 HA CGU 11 14.968 -4.423 2.409 70 HB2 CGU 11 HB1 CGU 11 14.304 -4.823 -0.344 71 HB3 CGU 11 HB2 CGU 11 12.965 -3.950 0.395 72 HG CGU 11 HG CGU 11 12.758 -5.640 2.131 73 H PHE 12 HN PHE 12 15.612 -1.755 0.267 74 HA PHE 12 HA PHE 12 17.781 -2.935 -1.235 75 HB2 PHE 12 HB2 PHE 12 18.198 -0.741 -2.001 76 HB3 PHE 12 HB1 PHE 12 16.482 -0.670 -1.592 77 HD1 PHE 12 HD1 PHE 12 19.709 0.751 -0.975 78 HD2 PHE 12 HD2 PHE 12 15.880 0.038 0.829 79 HE1 PHE 12 HE1 PHE 12 20.197 2.465 0.751 80 HE2 PHE 12 HE2 PHE 12 16.368 1.745 2.550 81 HZ PHE 12 HZ PHE 12 18.517 2.956 2.509 82 H ALA 13 HN ALA 13 17.667 -0.960 1.722 83 HA ALA 13 HA ALA 13 20.386 -0.743 2.312 84 HB1 ALA 13 HB1 ALA 13 18.912 0.433 3.739 85 HB2 ALA 13 HB2 ALA 13 19.539 -0.850 4.772 86 HB3 ALA 13 HB3 ALA 13 17.933 -1.001 4.058 87 H ARG 14 HN ARG 14 18.141 -3.393 3.050 88 HA ARG 14 HA ARG 14 20.209 -5.001 4.292 89 HB2 ARG 14 HB2 ARG 14 17.498 -5.999 3.402 90 HB3 ARG 14 HB1 ARG 14 18.516 -6.606 4.703 91 HG2 ARG 14 HG2 ARG 14 18.180 -4.609 6.003 92 HG3 ARG 14 HG1 ARG 14 17.345 -3.811 4.663 93 HD2 ARG 14 HD2 ARG 14 16.110 -6.368 5.277 94 HD3 ARG 14 HD1 ARG 14 16.155 -5.326 6.701 95 HE ARG 14 HE ARG 14 15.263 -3.705 4.541 96 HH11 ARG 14 HH11 ARG 14 13.959 -6.425 3.986 97 HH12 ARG 14 HH12 ARG 14 12.429 -6.206 4.784 98 HH21 ARG 14 HH21 ARG 14 13.486 -3.444 6.562 99 HH22 ARG 14 HH22 ARG 14 12.164 -4.510 6.240 100 H CGU 15 HN CGU 15 18.612 -4.860 1.118 101 HA CGU 15 HA CGU 15 19.677 -7.294 0.068 102 HB2 CGU 15 HB1 CGU 15 19.405 -6.115 -2.192 103 HB3 CGU 15 HB2 CGU 15 18.837 -4.714 -1.284 104 HG CGU 15 HG CGU 15 17.226 -6.401 -0.128 105 H LEU 16 HN LEU 16 21.141 -4.210 0.682 106 HA LEU 16 HA LEU 16 23.588 -5.221 -0.687 107 HB2 LEU 16 HB2 LEU 16 24.534 -2.980 -0.456 108 HB3 LEU 16 HB1 LEU 16 23.022 -2.952 -1.374 109 HG LEU 16 HG LEU 16 22.038 -2.562 1.122 110 HD11 LEU 16 HD11 LEU 16 23.637 -0.773 2.095 111 HD12 LEU 16 HD12 LEU 16 24.876 -1.535 1.100 112 HD13 LEU 16 HD13 LEU 16 24.055 -2.465 2.353 113 HD21 LEU 16 HD21 LEU 16 21.473 -1.108 -0.689 114 HD22 LEU 16 HD22 LEU 16 23.138 -0.544 -0.842 115 HD23 LEU 16 HD23 LEU 16 22.173 -0.078 0.558 116 H ALA 17 HN ALA 17 22.124 -4.432 2.357 117 HA ALA 17 HA ALA 17 24.319 -4.186 4.081 118 HB1 ALA 17 HB1 ALA 17 21.962 -4.179 4.883 119 HB2 ALA 17 HB2 ALA 17 22.953 -5.305 5.807 120 HB3 ALA 17 HB3 ALA 17 21.861 -5.911 4.563 121 H ASN 18 HN ASN 18 22.943 -7.121 2.584 122 HA ASN 18 HA ASN 18 24.948 -8.864 3.812 123 HB2 ASN 18 HB2 ASN 18 24.207 -10.488 1.997 124 HB3 ASN 18 HB1 ASN 18 22.938 -9.941 3.089 125 HD21 ASN 18 HD21 ASN 18 23.727 -7.346 1.123 126 HD22 ASN 18 HD22 ASN 18 22.538 -7.576 -0.096 127 H TYR 19 HN TYR 19 25.101 -6.582 1.292 128 HA TYR 19 HA TYR 19 27.843 -6.949 0.793 129 HB2 TYR 19 HB2 TYR 19 27.986 -8.032 -1.296 130 HB3 TYR 19 HB1 TYR 19 26.853 -9.030 -0.397 131 HD1 TYR 19 HD1 TYR 19 24.419 -8.883 -0.848 132 HD2 TYR 19 HD2 TYR 19 27.285 -6.693 -3.179 133 HE1 TYR 19 HE1 TYR 19 22.684 -8.435 -2.560 134 HE2 TYR 19 HE2 TYR 19 25.549 -6.254 -4.895 135 HN1 NH2 20 HN1 NH2 20 25.007 -6.054 -1.209 136 HN2 NH2 20 HN2 NH2 20 25.567 -4.456 -1.518 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 10.011 8.699 3.343 2 H2 GLY 1 HT2 GLY 1 9.923 9.662 4.742 3 H3 GLY 1 HT3 GLY 1 10.136 10.392 3.223 4 HA2 GLY 1 HA1 GLY 1 7.740 9.710 4.568 5 HA3 GLY 1 HA2 GLY 1 7.935 10.623 3.066 6 H GLU 2 HN GLU 2 5.820 9.262 2.587 7 HA GLU 2 HA GLU 2 6.002 6.433 2.171 8 HB2 GLU 2 HB2 GLU 2 3.885 7.776 2.345 9 HB3 GLU 2 HB1 GLU 2 4.205 8.406 0.729 10 HG2 GLU 2 HG2 GLU 2 4.197 6.092 -0.164 11 HG3 GLU 2 HG1 GLU 2 3.838 5.480 1.451 12 H CGU 3 HN CGU 3 5.878 8.962 -0.374 13 HA CGU 3 HA CGU 3 6.719 7.253 -2.471 14 HB2 CGU 3 HB1 CGU 3 7.133 10.261 -2.205 15 HB3 CGU 3 HB2 CGU 3 5.710 9.461 -2.930 16 HG CGU 3 HG CGU 3 8.576 9.177 -3.920 17 H CGU 4 HN CGU 4 8.509 9.340 -0.249 18 HA CGU 4 HA CGU 4 11.130 8.935 -1.274 19 HB2 CGU 4 HB1 CGU 4 10.084 9.396 1.532 20 HB3 CGU 4 HB2 CGU 4 10.761 10.593 0.439 21 HG CGU 4 HG CGU 4 12.936 9.202 0.540 22 H LEU 5 HN LEU 5 9.247 7.102 1.171 23 HA LEU 5 HA LEU 5 11.202 4.993 1.434 24 HB2 LEU 5 HB2 LEU 5 8.262 5.265 2.081 25 HB3 LEU 5 HB1 LEU 5 9.057 3.673 2.187 26 HG LEU 5 HG LEU 5 10.127 6.152 3.571 27 HD11 LEU 5 HD11 LEU 5 7.942 5.728 4.512 28 HD12 LEU 5 HD12 LEU 5 9.141 5.097 5.641 29 HD13 LEU 5 HD13 LEU 5 8.256 3.994 4.584 30 HD21 LEU 5 HD21 LEU 5 11.814 4.464 3.328 31 HD22 LEU 5 HD22 LEU 5 10.676 3.178 3.738 32 HD23 LEU 5 HD23 LEU 5 11.211 4.310 4.978 33 H ALA 6 HN ALA 6 8.309 5.502 -0.601 34 HA ALA 6 HA ALA 6 8.306 2.952 -1.898 35 HB1 ALA 6 HB1 ALA 6 7.657 5.513 -3.360 36 HB2 ALA 6 HB2 ALA 6 6.608 4.926 -2.068 37 HB3 ALA 6 HB3 ALA 6 6.879 3.936 -3.502 38 H CGU 7 HN CGU 7 10.092 5.940 -2.660 39 HA CGU 7 HA CGU 7 11.432 4.723 -4.969 40 HB2 CGU 7 HB1 CGU 7 12.763 6.822 -4.971 41 HB3 CGU 7 HB2 CGU 7 12.035 7.277 -3.432 42 HG CGU 7 HG CGU 7 9.761 7.014 -4.674 43 H LYS 8 HN LYS 8 11.609 3.951 -1.873 44 HA LYS 8 HA LYS 8 14.579 3.542 -1.884 45 HB2 LYS 8 HB2 LYS 8 13.831 5.129 -0.119 46 HB3 LYS 8 HB1 LYS 8 12.767 3.874 0.519 47 HG2 LYS 8 HG2 LYS 8 14.592 3.365 1.813 48 HG3 LYS 8 HG1 LYS 8 15.074 2.478 0.372 49 HD2 LYS 8 HD2 LYS 8 15.845 5.352 0.938 50 HD3 LYS 8 HD1 LYS 8 16.879 3.980 1.234 51 HE2 LYS 8 HE2 LYS 8 16.550 3.371 -1.231 52 HE3 LYS 8 HE1 LYS 8 15.874 4.990 -1.419 53 HZ1 LYS 8 HZ1 LYS 8 18.386 4.867 0.017 54 HZ2 LYS 8 HZ2 LYS 8 17.877 5.949 -1.189 55 HZ3 LYS 8 HZ3 LYS 8 18.483 4.419 -1.614 56 H ALA 9 HN ALA 9 11.609 2.239 -0.379 57 HA ALA 9 HA ALA 9 11.024 0.002 0.068 58 HB1 ALA 9 HB1 ALA 9 12.937 -0.708 -2.174 59 HB2 ALA 9 HB2 ALA 9 11.311 -0.090 -2.470 60 HB3 ALA 9 HB3 ALA 9 11.532 -1.625 -1.627 61 HA PRO 10 HA PRO 10 14.742 0.008 2.865 62 HB2 PRO 10 HB2 PRO 10 13.223 -1.905 4.422 63 HB3 PRO 10 HB1 PRO 10 13.621 -0.203 4.815 64 HG2 PRO 10 HG2 PRO 10 11.170 -1.345 3.641 65 HG3 PRO 10 HG1 PRO 10 11.403 0.163 4.540 66 HD2 PRO 10 HD2 PRO 10 10.917 0.186 1.895 67 HD3 PRO 10 HD1 PRO 10 12.033 1.364 2.629 68 H CGU 11 HN CGU 11 13.383 -2.432 0.919 69 HA CGU 11 HA CGU 11 14.941 -4.666 1.814 70 HB2 CGU 11 HB1 CGU 11 14.491 -4.847 -0.998 71 HB3 CGU 11 HB2 CGU 11 13.053 -4.113 -0.293 72 HG CGU 11 HG CGU 11 12.811 -5.956 1.269 73 H PHE 12 HN PHE 12 15.554 -1.787 -0.108 74 HA PHE 12 HA PHE 12 17.939 -2.753 -1.435 75 HB2 PHE 12 HB2 PHE 12 18.298 -0.512 -2.047 76 HB3 PHE 12 HB1 PHE 12 16.554 -0.518 -1.773 77 HD1 PHE 12 HD1 PHE 12 19.708 0.900 -0.762 78 HD2 PHE 12 HD2 PHE 12 15.708 0.105 0.562 79 HE1 PHE 12 HE1 PHE 12 19.980 2.553 1.069 80 HE2 PHE 12 HE2 PHE 12 15.975 1.748 2.386 81 HZ PHE 12 HZ PHE 12 18.097 2.977 2.633 82 H ALA 13 HN ALA 13 17.302 -1.107 1.636 83 HA ALA 13 HA ALA 13 19.910 -0.734 2.591 84 HB1 ALA 13 HB1 ALA 13 17.451 -1.567 4.175 85 HB2 ALA 13 HB2 ALA 13 17.894 0.089 3.768 86 HB3 ALA 13 HB3 ALA 13 18.912 -0.852 4.857 87 H ARG 14 HN ARG 14 17.781 -3.576 3.105 88 HA ARG 14 HA ARG 14 19.902 -5.130 4.275 89 HB2 ARG 14 HB2 ARG 14 17.326 -6.181 3.086 90 HB3 ARG 14 HB1 ARG 14 18.350 -6.965 4.284 91 HG2 ARG 14 HG2 ARG 14 17.936 -5.099 5.849 92 HG3 ARG 14 HG1 ARG 14 16.868 -4.349 4.648 93 HD2 ARG 14 HD2 ARG 14 15.539 -5.619 6.281 94 HD3 ARG 14 HD1 ARG 14 15.428 -6.370 4.688 95 HE ARG 14 HE ARG 14 17.576 -7.631 6.014 96 HH11 ARG 14 HH11 ARG 14 16.143 -7.531 8.474 97 HH12 ARG 14 HH12 ARG 14 15.043 -8.862 8.389 98 HH21 ARG 14 HH21 ARG 14 15.334 -9.186 4.965 99 HH22 ARG 14 HH22 ARG 14 14.582 -9.799 6.395 100 H CGU 15 HN CGU 15 18.586 -4.794 0.992 101 HA CGU 15 HA CGU 15 19.885 -7.056 -0.159 102 HB2 CGU 15 HB1 CGU 15 19.811 -5.664 -2.323 103 HB3 CGU 15 HB2 CGU 15 19.030 -4.414 -1.357 104 HG CGU 15 HG CGU 15 17.409 -6.270 -0.595 105 H LEU 16 HN LEU 16 21.153 -3.949 0.798 106 HA LEU 16 HA LEU 16 23.755 -4.823 -0.371 107 HB2 LEU 16 HB2 LEU 16 24.605 -2.572 0.069 108 HB3 LEU 16 HB1 LEU 16 23.200 -2.547 -1.009 109 HG LEU 16 HG LEU 16 21.975 -2.332 1.426 110 HD11 LEU 16 HD11 LEU 16 24.286 -0.448 1.715 111 HD12 LEU 16 HD12 LEU 16 24.475 -2.107 2.279 112 HD13 LEU 16 HD13 LEU 16 23.204 -1.087 2.951 113 HD21 LEU 16 HD21 LEU 16 21.873 0.131 0.906 114 HD22 LEU 16 HD22 LEU 16 21.474 -0.908 -0.462 115 HD23 LEU 16 HD23 LEU 16 23.062 -0.147 -0.367 116 H ALA 17 HN ALA 17 21.991 -4.223 2.550 117 HA ALA 17 HA ALA 17 24.016 -4.008 4.481 118 HB1 ALA 17 HB1 ALA 17 21.537 -4.111 4.976 119 HB2 ALA 17 HB2 ALA 17 22.516 -5.111 6.046 120 HB3 ALA 17 HB3 ALA 17 21.616 -5.855 4.727 121 H ASN 18 HN ASN 18 22.873 -6.880 2.700 122 HA ASN 18 HA ASN 18 24.777 -8.643 4.066 123 HB2 ASN 18 HB2 ASN 18 24.245 -10.200 2.117 124 HB3 ASN 18 HB1 ASN 18 22.874 -9.733 3.120 125 HD21 ASN 18 HD21 ASN 18 23.780 -7.039 1.330 126 HD22 ASN 18 HD22 ASN 18 22.699 -7.237 0.009 127 H TYR 19 HN TYR 19 25.114 -6.249 1.674 128 HA TYR 19 HA TYR 19 27.897 -6.554 1.403 129 HB2 TYR 19 HB2 TYR 19 28.219 -7.481 -0.764 130 HB3 TYR 19 HB1 TYR 19 27.114 -8.585 0.038 131 HD1 TYR 19 HD1 TYR 19 24.707 -8.583 -0.528 132 HD2 TYR 19 HD2 TYR 19 27.505 -6.084 -2.613 133 HE1 TYR 19 HE1 TYR 19 23.019 -8.170 -2.295 134 HE2 TYR 19 HE2 TYR 19 25.816 -5.674 -4.385 135 HN1 NH2 20 HN1 NH2 20 25.227 -5.595 -0.783 136 HN2 NH2 20 HN2 NH2 20 25.792 -3.981 -0.981 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 6.700 10.870 2.645 2 H2 GLY 1 HT2 GLY 1 8.288 11.409 2.311 3 H3 GLY 1 HT3 GLY 1 7.620 11.642 3.854 4 HA2 GLY 1 HA1 GLY 1 9.297 9.724 3.487 5 HA3 GLY 1 HA2 GLY 1 7.863 9.454 4.474 6 H GLU 2 HN GLU 2 5.849 8.913 2.926 7 HA GLU 2 HA GLU 2 6.041 6.342 1.966 8 HB2 GLU 2 HB2 GLU 2 4.286 7.518 0.127 9 HB3 GLU 2 HB1 GLU 2 3.854 6.809 1.678 10 HG2 GLU 2 HG2 GLU 2 3.030 9.180 1.328 11 HG3 GLU 2 HG1 GLU 2 3.986 8.944 2.786 12 H CGU 3 HN CGU 3 6.155 9.142 -0.280 13 HA CGU 3 HA CGU 3 6.963 7.669 -2.536 14 HB2 CGU 3 HB1 CGU 3 7.753 10.537 -1.884 15 HB3 CGU 3 HB2 CGU 3 6.224 10.036 -2.660 16 HG CGU 3 HG CGU 3 8.992 9.395 -3.740 17 H CGU 4 HN CGU 4 9.064 9.383 -0.162 18 HA CGU 4 HA CGU 4 11.534 8.542 -1.313 19 HB2 CGU 4 HB1 CGU 4 10.745 9.186 1.540 20 HB3 CGU 4 HB2 CGU 4 11.681 10.179 0.423 21 HG CGU 4 HG CGU 4 12.550 7.583 1.742 22 H LEU 5 HN LEU 5 9.425 7.053 1.144 23 HA LEU 5 HA LEU 5 10.962 4.663 1.496 24 HB2 LEU 5 HB2 LEU 5 7.973 5.184 1.699 25 HB3 LEU 5 HB1 LEU 5 8.742 3.647 2.177 26 HG LEU 5 HG LEU 5 9.613 6.334 3.287 27 HD11 LEU 5 HD11 LEU 5 7.269 6.009 3.884 28 HD12 LEU 5 HD12 LEU 5 8.277 5.705 5.298 29 HD13 LEU 5 HD13 LEU 5 7.600 4.353 4.392 30 HD21 LEU 5 HD21 LEU 5 10.585 3.643 3.454 31 HD22 LEU 5 HD22 LEU 5 9.963 4.099 5.038 32 HD23 LEU 5 HD23 LEU 5 11.209 5.078 4.266 33 H ALA 6 HN ALA 6 8.336 5.547 -0.767 34 HA ALA 6 HA ALA 6 8.259 3.032 -2.170 35 HB1 ALA 6 HB1 ALA 6 6.940 4.150 -3.753 36 HB2 ALA 6 HB2 ALA 6 7.852 5.651 -3.600 37 HB3 ALA 6 HB3 ALA 6 6.716 5.176 -2.338 38 H CGU 7 HN CGU 7 10.194 5.977 -2.631 39 HA CGU 7 HA CGU 7 11.719 4.824 -4.867 40 HB2 CGU 7 HB1 CGU 7 13.026 6.888 -4.738 41 HB3 CGU 7 HB2 CGU 7 12.314 7.274 -3.176 42 HG CGU 7 HG CGU 7 10.036 7.204 -4.429 43 H LYS 8 HN LYS 8 11.594 3.654 -2.023 44 HA LYS 8 HA LYS 8 14.541 3.314 -1.718 45 HB2 LYS 8 HB2 LYS 8 13.610 4.962 -0.034 46 HB3 LYS 8 HB1 LYS 8 12.671 3.624 0.628 47 HG2 LYS 8 HG2 LYS 8 14.529 3.251 1.898 48 HG3 LYS 8 HG1 LYS 8 15.120 2.465 0.440 49 HD2 LYS 8 HD2 LYS 8 15.563 5.386 1.122 50 HD3 LYS 8 HD1 LYS 8 16.748 4.124 1.341 51 HE2 LYS 8 HE2 LYS 8 17.395 4.936 -0.726 52 HE3 LYS 8 HE1 LYS 8 16.291 3.654 -1.217 53 HZ1 LYS 8 HZ1 LYS 8 14.846 5.141 -2.061 54 HZ2 LYS 8 HZ2 LYS 8 16.110 6.274 -1.935 55 HZ3 LYS 8 HZ3 LYS 8 14.951 6.161 -0.690 56 H ALA 9 HN ALA 9 11.550 2.127 -0.157 57 HA ALA 9 HA ALA 9 10.921 -0.086 0.343 58 HB1 ALA 9 HB1 ALA 9 11.359 -1.770 -1.350 59 HB2 ALA 9 HB2 ALA 9 12.687 -0.822 -2.016 60 HB3 ALA 9 HB3 ALA 9 11.028 -0.252 -2.184 61 HA PRO 10 HA PRO 10 14.794 -0.100 2.927 62 HB2 PRO 10 HB2 PRO 10 13.332 -1.955 4.613 63 HB3 PRO 10 HB1 PRO 10 13.792 -0.256 4.948 64 HG2 PRO 10 HG2 PRO 10 11.246 -1.361 3.953 65 HG3 PRO 10 HG1 PRO 10 11.570 0.162 4.796 66 HD2 PRO 10 HD2 PRO 10 10.923 0.121 2.180 67 HD3 PRO 10 HD1 PRO 10 12.096 1.299 2.817 68 H CGU 11 HN CGU 11 13.216 -2.580 1.194 69 HA CGU 11 HA CGU 11 14.781 -4.843 1.956 70 HB2 CGU 11 HB1 CGU 11 13.225 -4.060 -0.522 71 HB3 CGU 11 HB2 CGU 11 12.824 -5.294 0.669 72 HG CGU 11 HG CGU 11 15.169 -5.420 -1.246 73 H PHE 12 HN PHE 12 15.322 -1.968 0.038 74 HA PHE 12 HA PHE 12 17.653 -2.938 -1.403 75 HB2 PHE 12 HB2 PHE 12 17.861 -0.746 -2.178 76 HB3 PHE 12 HB1 PHE 12 16.154 -0.749 -1.728 77 HD1 PHE 12 HD1 PHE 12 15.649 -0.149 0.788 78 HD2 PHE 12 HD2 PHE 12 19.262 0.907 -1.273 79 HE1 PHE 12 HE1 PHE 12 16.087 1.607 2.471 80 HE2 PHE 12 HE2 PHE 12 19.698 2.677 0.412 81 HZ PHE 12 HZ PHE 12 18.101 3.020 2.283 82 H ALA 13 HN ALA 13 17.071 -1.278 1.660 83 HA ALA 13 HA ALA 13 19.731 -0.748 2.450 84 HB1 ALA 13 HB1 ALA 13 17.316 -1.512 4.132 85 HB2 ALA 13 HB2 ALA 13 17.840 0.121 3.726 86 HB3 ALA 13 HB3 ALA 13 18.825 -0.881 4.790 87 H ARG 14 HN ARG 14 17.683 -3.617 3.102 88 HA ARG 14 HA ARG 14 19.860 -5.090 4.273 89 HB2 ARG 14 HB2 ARG 14 17.305 -6.234 3.119 90 HB3 ARG 14 HB1 ARG 14 18.367 -6.978 4.310 91 HG2 ARG 14 HG2 ARG 14 17.919 -5.099 5.860 92 HG3 ARG 14 HG1 ARG 14 16.797 -4.412 4.669 93 HD2 ARG 14 HD2 ARG 14 15.477 -6.539 4.758 94 HD3 ARG 14 HD1 ARG 14 16.544 -7.110 6.044 95 HE ARG 14 HE ARG 14 14.418 -5.124 6.339 96 HH11 ARG 14 HH11 ARG 14 16.814 -3.724 7.332 97 HH12 ARG 14 HH12 ARG 14 16.883 -4.217 8.988 98 HH21 ARG 14 HH21 ARG 14 14.746 -6.888 8.528 99 HH22 ARG 14 HH22 ARG 14 15.706 -6.009 9.665 100 H CGU 15 HN CGU 15 18.483 -4.823 1.002 101 HA CGU 15 HA CGU 15 19.871 -7.011 -0.187 102 HB2 CGU 15 HB1 CGU 15 19.829 -5.477 -2.312 103 HB3 CGU 15 HB2 CGU 15 18.852 -4.407 -1.312 104 HG CGU 15 HG CGU 15 17.386 -6.427 -0.801 105 H LEU 16 HN LEU 16 21.038 -3.853 0.777 106 HA LEU 16 HA LEU 16 23.659 -4.646 -0.408 107 HB2 LEU 16 HB2 LEU 16 24.442 -2.374 0.008 108 HB3 LEU 16 HB1 LEU 16 23.005 -2.384 -1.026 109 HG LEU 16 HG LEU 16 21.800 -2.174 1.385 110 HD11 LEU 16 HD11 LEU 16 23.901 -2.120 2.645 111 HD12 LEU 16 HD12 LEU 16 23.108 -0.550 2.746 112 HD13 LEU 16 HD13 LEU 16 24.479 -0.776 1.661 113 HD21 LEU 16 HD21 LEU 16 21.639 0.240 0.934 114 HD22 LEU 16 HD22 LEU 16 21.502 -0.678 -0.565 115 HD23 LEU 16 HD23 LEU 16 23.015 0.134 -0.163 116 H ALA 17 HN ALA 17 21.903 -4.160 2.524 117 HA ALA 17 HA ALA 17 23.923 -3.863 4.445 118 HB1 ALA 17 HB1 ALA 17 22.500 -5.106 5.993 119 HB2 ALA 17 HB2 ALA 17 21.616 -5.831 4.651 120 HB3 ALA 17 HB3 ALA 17 21.473 -4.101 4.972 121 H ASN 18 HN ASN 18 22.915 -6.784 2.649 122 HA ASN 18 HA ASN 18 24.945 -8.439 3.967 123 HB2 ASN 18 HB2 ASN 18 24.492 -10.016 2.023 124 HB3 ASN 18 HB1 ASN 18 23.099 -9.632 3.030 125 HD21 ASN 18 HD21 ASN 18 23.749 -6.861 1.295 126 HD22 ASN 18 HD22 ASN 18 22.709 -7.137 -0.045 127 H TYR 19 HN TYR 19 25.109 -6.025 1.567 128 HA TYR 19 HA TYR 19 27.913 -6.175 1.277 129 HB2 TYR 19 HB2 TYR 19 28.242 -7.043 -0.923 130 HB3 TYR 19 HB1 TYR 19 27.242 -8.228 -0.095 131 HD1 TYR 19 HD1 TYR 19 24.825 -8.377 -0.567 132 HD2 TYR 19 HD2 TYR 19 27.372 -5.695 -2.742 133 HE1 TYR 19 HE1 TYR 19 23.046 -8.068 -2.264 134 HE2 TYR 19 HE2 TYR 19 25.592 -5.386 -4.445 135 HN1 NH2 20 HN1 NH2 20 25.158 -5.339 -0.852 136 HN2 NH2 20 HN2 NH2 20 25.634 -3.698 -1.053 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 5.861 9.678 3.665 2 H2 GLY 1 HT2 GLY 1 6.886 10.895 3.048 3 H3 GLY 1 HT3 GLY 1 6.752 10.671 4.728 4 HA2 GLY 1 HA1 GLY 1 8.845 9.757 3.668 5 HA3 GLY 1 HA2 GLY 1 7.925 8.632 4.669 6 H GLU 2 HN GLU 2 5.876 7.908 3.124 7 HA GLU 2 HA GLU 2 6.618 5.846 1.478 8 HB2 GLU 2 HB2 GLU 2 4.430 6.156 0.338 9 HB3 GLU 2 HB1 GLU 2 4.292 6.326 2.085 10 HG2 GLU 2 HG2 GLU 2 4.218 8.493 -0.025 11 HG3 GLU 2 HG1 GLU 2 3.037 8.152 1.232 12 H CGU 3 HN CGU 3 6.210 9.219 0.428 13 HA CGU 3 HA CGU 3 6.711 8.911 -2.323 14 HB2 CGU 3 HB1 CGU 3 7.586 11.209 -0.523 15 HB3 CGU 3 HB2 CGU 3 5.962 11.027 -1.231 16 HG CGU 3 HG CGU 3 7.169 12.560 -2.631 17 H CGU 4 HN CGU 4 9.040 9.380 0.333 18 HA CGU 4 HA CGU 4 11.310 8.974 -1.511 19 HB2 CGU 4 HB1 CGU 4 11.099 9.530 1.464 20 HB3 CGU 4 HB2 CGU 4 11.737 10.589 0.206 21 HG CGU 4 HG CGU 4 12.966 7.968 1.134 22 H LEU 5 HN LEU 5 9.610 7.319 1.122 23 HA LEU 5 HA LEU 5 11.358 5.039 1.226 24 HB2 LEU 5 HB2 LEU 5 8.437 5.340 1.982 25 HB3 LEU 5 HB1 LEU 5 9.434 3.914 2.371 26 HG LEU 5 HG LEU 5 10.183 6.740 3.189 27 HD11 LEU 5 HD11 LEU 5 9.223 4.851 5.245 28 HD12 LEU 5 HD12 LEU 5 7.974 5.417 4.134 29 HD13 LEU 5 HD13 LEU 5 8.916 6.578 5.069 30 HD21 LEU 5 HD21 LEU 5 11.113 3.958 3.968 31 HD22 LEU 5 HD22 LEU 5 11.555 5.415 4.862 32 HD23 LEU 5 HD23 LEU 5 12.061 5.223 3.185 33 H ALA 6 HN ALA 6 8.419 5.757 -0.686 34 HA ALA 6 HA ALA 6 7.949 3.191 -1.776 35 HB1 ALA 6 HB1 ALA 6 7.105 4.407 -3.807 36 HB2 ALA 6 HB2 ALA 6 7.774 5.897 -3.142 37 HB3 ALA 6 HB3 ALA 6 6.475 5.058 -2.294 38 H CGU 7 HN CGU 7 10.112 5.696 -3.155 39 HA CGU 7 HA CGU 7 11.192 3.871 -5.132 40 HB2 CGU 7 HB1 CGU 7 12.269 5.666 -5.979 41 HB3 CGU 7 HB2 CGU 7 13.031 6.031 -4.434 42 HG CGU 7 HG CGU 7 11.035 7.194 -3.675 43 H LYS 8 HN LYS 8 11.829 4.530 -1.821 44 HA LYS 8 HA LYS 8 14.531 3.439 -1.760 45 HB2 LYS 8 HB2 LYS 8 13.617 5.042 -0.049 46 HB3 LYS 8 HB1 LYS 8 12.579 3.734 0.528 47 HG2 LYS 8 HG2 LYS 8 14.355 3.262 1.891 48 HG3 LYS 8 HG1 LYS 8 14.963 2.450 0.454 49 HD2 LYS 8 HD2 LYS 8 15.544 5.332 1.209 50 HD3 LYS 8 HD1 LYS 8 16.655 3.999 1.404 51 HE2 LYS 8 HE2 LYS 8 16.661 3.612 -1.022 52 HE3 LYS 8 HE1 LYS 8 15.519 4.940 -1.232 53 HZ1 LYS 8 HZ1 LYS 8 17.135 6.445 -1.056 54 HZ2 LYS 8 HZ2 LYS 8 18.235 5.158 -1.238 55 HZ3 LYS 8 HZ3 LYS 8 17.805 5.700 0.316 56 H ALA 9 HN ALA 9 11.457 2.238 -0.405 57 HA ALA 9 HA ALA 9 10.765 0.022 -0.014 58 HB1 ALA 9 HB1 ALA 9 11.227 -0.029 -2.557 59 HB2 ALA 9 HB2 ALA 9 11.223 -1.580 -1.715 60 HB3 ALA 9 HB3 ALA 9 12.754 -0.809 -2.139 61 HA PRO 10 HA PRO 10 14.348 -0.082 2.968 62 HB2 PRO 10 HB2 PRO 10 12.676 -1.906 4.477 63 HB3 PRO 10 HB1 PRO 10 13.113 -0.210 4.853 64 HG2 PRO 10 HG2 PRO 10 10.698 -1.298 3.555 65 HG3 PRO 10 HG1 PRO 10 10.924 0.214 4.450 66 HD2 PRO 10 HD2 PRO 10 10.595 0.222 1.786 67 HD3 PRO 10 HD1 PRO 10 11.717 1.364 2.564 68 H CGU 11 HN CGU 11 13.564 -2.271 0.709 69 HA CGU 11 HA CGU 11 14.849 -4.613 1.954 70 HB2 CGU 11 HB1 CGU 11 14.443 -4.971 -0.849 71 HB3 CGU 11 HB2 CGU 11 13.000 -4.185 -0.215 72 HG CGU 11 HG CGU 11 12.720 -5.924 1.454 73 H PHE 12 HN PHE 12 15.513 -1.858 -0.078 74 HA PHE 12 HA PHE 12 17.870 -2.880 -1.400 75 HB2 PHE 12 HB2 PHE 12 18.246 -0.648 -2.080 76 HB3 PHE 12 HB1 PHE 12 16.495 -0.682 -1.849 77 HD1 PHE 12 HD1 PHE 12 15.616 -0.064 0.522 78 HD2 PHE 12 HD2 PHE 12 19.550 0.914 -0.895 79 HE1 PHE 12 HE1 PHE 12 15.846 1.611 2.325 80 HE2 PHE 12 HE2 PHE 12 19.773 2.604 0.906 81 HZ PHE 12 HZ PHE 12 17.915 2.939 2.517 82 H ALA 13 HN ALA 13 17.385 -0.981 1.568 83 HA ALA 13 HA ALA 13 20.022 -0.629 2.408 84 HB1 ALA 13 HB1 ALA 13 17.532 -0.181 3.511 85 HB2 ALA 13 HB2 ALA 13 19.063 0.083 4.347 86 HB3 ALA 13 HB3 ALA 13 18.185 -1.429 4.575 87 H ARG 14 HN ARG 14 17.885 -3.423 2.910 88 HA ARG 14 HA ARG 14 19.940 -4.936 4.285 89 HB2 ARG 14 HB2 ARG 14 17.375 -6.067 3.153 90 HB3 ARG 14 HB1 ARG 14 18.316 -6.646 4.522 91 HG2 ARG 14 HG2 ARG 14 17.760 -4.705 5.829 92 HG3 ARG 14 HG1 ARG 14 16.996 -3.921 4.440 93 HD2 ARG 14 HD2 ARG 14 15.862 -6.555 4.896 94 HD3 ARG 14 HD1 ARG 14 15.725 -5.544 6.337 95 HE ARG 14 HE ARG 14 14.936 -3.935 4.121 96 HH11 ARG 14 HH11 ARG 14 13.826 -6.744 3.503 97 HH12 ARG 14 HH12 ARG 14 12.227 -6.593 4.168 98 HH21 ARG 14 HH21 ARG 14 12.978 -3.738 5.950 99 HH22 ARG 14 HH22 ARG 14 11.748 -4.882 5.543 100 H CGU 15 HN CGU 15 18.602 -4.822 0.988 101 HA CGU 15 HA CGU 15 19.894 -7.161 -0.013 102 HB2 CGU 15 HB1 CGU 15 19.748 -5.947 -2.265 103 HB3 CGU 15 HB2 CGU 15 19.026 -4.602 -1.381 104 HG CGU 15 HG CGU 15 17.432 -6.411 -0.393 105 H LEU 16 HN LEU 16 21.129 -4.017 0.771 106 HA LEU 16 HA LEU 16 23.734 -4.876 -0.401 107 HB2 LEU 16 HB2 LEU 16 24.534 -2.587 -0.039 108 HB3 LEU 16 HB1 LEU 16 23.131 -2.639 -1.117 109 HG LEU 16 HG LEU 16 21.845 -2.345 1.239 110 HD11 LEU 16 HD11 LEU 16 24.630 -1.705 1.780 111 HD12 LEU 16 HD12 LEU 16 23.272 -1.827 2.900 112 HD13 LEU 16 HD13 LEU 16 23.586 -0.309 2.057 113 HD21 LEU 16 HD21 LEU 16 23.091 -0.147 -0.436 114 HD22 LEU 16 HD22 LEU 16 21.774 0.093 0.711 115 HD23 LEU 16 HD23 LEU 16 21.528 -0.918 -0.711 116 H ALA 17 HN ALA 17 21.988 -4.198 2.519 117 HA ALA 17 HA ALA 17 24.018 -3.865 4.419 118 HB1 ALA 17 HB1 ALA 17 21.604 -4.001 5.025 119 HB2 ALA 17 HB2 ALA 17 22.579 -5.083 6.015 120 HB3 ALA 17 HB3 ALA 17 21.630 -5.731 4.680 121 H ASN 18 HN ASN 18 22.938 -6.836 2.766 122 HA ASN 18 HA ASN 18 24.919 -8.492 4.150 123 HB2 ASN 18 HB2 ASN 18 24.409 -10.134 2.281 124 HB3 ASN 18 HB1 ASN 18 23.023 -9.647 3.253 125 HD21 ASN 18 HD21 ASN 18 23.844 -7.001 1.384 126 HD22 ASN 18 HD22 ASN 18 22.792 -7.284 0.053 127 H TYR 19 HN TYR 19 25.162 -6.180 1.660 128 HA TYR 19 HA TYR 19 27.952 -6.424 1.373 129 HB2 TYR 19 HB2 TYR 19 28.280 -7.462 -0.731 130 HB3 TYR 19 HB1 TYR 19 27.156 -8.526 0.099 131 HD1 TYR 19 HD1 TYR 19 27.571 -6.077 -2.614 132 HD2 TYR 19 HD2 TYR 19 24.785 -8.585 -0.522 133 HE1 TYR 19 HE1 TYR 19 25.901 -5.729 -4.418 134 HE2 TYR 19 HE2 TYR 19 23.117 -8.237 -2.321 135 HN1 NH2 20 HN1 NH2 20 25.217 -5.609 -0.793 136 HN2 NH2 20 HN2 NH2 20 25.741 -3.991 -1.065 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 7.198 11.152 1.524 2 H2 GLY 1 HT2 GLY 1 6.867 11.813 3.060 3 H3 GLY 1 HT3 GLY 1 5.754 10.739 2.335 4 HA2 GLY 1 HA1 GLY 1 8.532 10.007 3.156 5 HA3 GLY 1 HA2 GLY 1 7.084 9.663 4.105 6 H GLU 2 HN GLU 2 5.268 8.817 2.458 7 HA GLU 2 HA GLU 2 5.754 6.168 1.803 8 HB2 GLU 2 HB2 GLU 2 3.780 6.364 0.308 9 HB3 GLU 2 HB1 GLU 2 3.520 7.168 1.851 10 HG2 GLU 2 HG2 GLU 2 3.972 8.398 -0.866 11 HG3 GLU 2 HG1 GLU 2 2.708 8.744 0.304 12 H CGU 3 HN CGU 3 5.893 8.893 -0.533 13 HA CGU 3 HA CGU 3 6.921 7.294 -2.681 14 HB2 CGU 3 HB1 CGU 3 7.103 10.292 -2.173 15 HB3 CGU 3 HB2 CGU 3 5.853 9.454 -3.132 16 HG CGU 3 HG CGU 3 8.831 9.447 -3.755 17 H CGU 4 HN CGU 4 8.451 9.417 -0.266 18 HA CGU 4 HA CGU 4 11.149 9.111 -1.097 19 HB2 CGU 4 HB1 CGU 4 11.669 9.564 1.329 20 HB3 CGU 4 HB2 CGU 4 9.950 9.448 1.674 21 HG CGU 4 HG CGU 4 11.306 11.459 -0.153 22 H LEU 5 HN LEU 5 9.100 7.189 1.081 23 HA LEU 5 HA LEU 5 11.119 5.162 1.578 24 HB2 LEU 5 HB2 LEU 5 8.088 5.157 1.839 25 HB3 LEU 5 HB1 LEU 5 9.124 3.790 2.333 26 HG LEU 5 HG LEU 5 9.511 6.620 3.364 27 HD11 LEU 5 HD11 LEU 5 7.863 4.327 4.457 28 HD12 LEU 5 HD12 LEU 5 7.330 5.973 4.118 29 HD13 LEU 5 HD13 LEU 5 8.426 5.660 5.463 30 HD21 LEU 5 HD21 LEU 5 10.556 3.874 4.093 31 HD22 LEU 5 HD22 LEU 5 10.626 5.223 5.226 32 HD23 LEU 5 HD23 LEU 5 11.480 5.321 3.687 33 H ALA 6 HN ALA 6 8.386 5.540 -0.697 34 HA ALA 6 HA ALA 6 8.629 2.989 -1.976 35 HB1 ALA 6 HB1 ALA 6 7.932 5.568 -3.409 36 HB2 ALA 6 HB2 ALA 6 6.801 4.764 -2.322 37 HB3 ALA 6 HB3 ALA 6 7.364 3.939 -3.775 38 H CGU 7 HN CGU 7 10.337 6.056 -2.477 39 HA CGU 7 HA CGU 7 11.908 5.061 -4.732 40 HB2 CGU 7 HB1 CGU 7 13.242 7.143 -4.361 41 HB3 CGU 7 HB2 CGU 7 12.324 7.444 -2.888 42 HG CGU 7 HG CGU 7 10.225 7.305 -4.437 43 H LYS 8 HN LYS 8 11.821 4.126 -1.620 44 HA LYS 8 HA LYS 8 14.769 3.585 -1.485 45 HB2 LYS 8 HB2 LYS 8 13.976 5.170 0.270 46 HB3 LYS 8 HB1 LYS 8 12.849 3.932 0.832 47 HG2 LYS 8 HG2 LYS 8 14.596 3.332 2.193 48 HG3 LYS 8 HG1 LYS 8 15.132 2.481 0.750 49 HD2 LYS 8 HD2 LYS 8 15.897 5.347 1.353 50 HD3 LYS 8 HD1 LYS 8 16.886 3.981 1.802 51 HE2 LYS 8 HE2 LYS 8 16.766 3.281 -0.669 52 HE3 LYS 8 HE1 LYS 8 16.152 4.909 -0.968 53 HZ1 LYS 8 HZ1 LYS 8 18.172 5.769 -0.730 54 HZ2 LYS 8 HZ2 LYS 8 18.782 4.184 -0.774 55 HZ3 LYS 8 HZ3 LYS 8 18.457 4.930 0.716 56 H ALA 9 HN ALA 9 11.665 2.405 -0.172 57 HA ALA 9 HA ALA 9 10.944 0.202 0.221 58 HB1 ALA 9 HB1 ALA 9 11.899 -1.530 -1.423 59 HB2 ALA 9 HB2 ALA 9 12.784 -0.189 -2.150 60 HB3 ALA 9 HB3 ALA 9 11.022 -0.177 -2.136 61 HA PRO 10 HA PRO 10 14.501 -0.046 3.222 62 HB2 PRO 10 HB2 PRO 10 12.763 -1.830 4.701 63 HB3 PRO 10 HB1 PRO 10 13.258 -0.156 5.101 64 HG2 PRO 10 HG2 PRO 10 10.805 -1.140 3.801 65 HG3 PRO 10 HG1 PRO 10 11.093 0.361 4.694 66 HD2 PRO 10 HD2 PRO 10 10.756 0.368 2.025 67 HD3 PRO 10 HD1 PRO 10 11.895 1.488 2.809 68 H CGU 11 HN CGU 11 13.655 -2.156 0.929 69 HA CGU 11 HA CGU 11 14.873 -4.566 2.114 70 HB2 CGU 11 HB1 CGU 11 14.405 -4.833 -0.697 71 HB3 CGU 11 HB2 CGU 11 12.993 -4.041 -0.003 72 HG CGU 11 HG CGU 11 12.723 -5.830 1.617 73 H PHE 12 HN PHE 12 15.570 -1.791 0.105 74 HA PHE 12 HA PHE 12 17.877 -2.841 -1.275 75 HB2 PHE 12 HB2 PHE 12 18.313 -0.599 -1.884 76 HB3 PHE 12 HB1 PHE 12 16.567 -0.584 -1.622 77 HD1 PHE 12 HD1 PHE 12 15.736 -0.001 0.756 78 HD2 PHE 12 HD2 PHE 12 19.705 0.847 -0.639 79 HE1 PHE 12 HE1 PHE 12 16.031 1.617 2.600 80 HE2 PHE 12 HE2 PHE 12 19.998 2.481 1.206 81 HZ PHE 12 HZ PHE 12 18.150 2.860 2.822 82 H ALA 13 HN ALA 13 17.482 -1.038 1.762 83 HA ALA 13 HA ALA 13 20.123 -0.757 2.590 84 HB1 ALA 13 HB1 ALA 13 17.934 -0.021 3.765 85 HB2 ALA 13 HB2 ALA 13 19.277 -0.510 4.795 86 HB3 ALA 13 HB3 ALA 13 17.942 -1.624 4.501 87 H ARG 14 HN ARG 14 17.969 -3.549 3.104 88 HA ARG 14 HA ARG 14 20.077 -5.132 4.295 89 HB2 ARG 14 HB2 ARG 14 17.427 -6.159 3.257 90 HB3 ARG 14 HB1 ARG 14 18.442 -6.848 4.521 91 HG2 ARG 14 HG2 ARG 14 18.045 -4.948 5.965 92 HG3 ARG 14 HG1 ARG 14 17.167 -4.100 4.686 93 HD2 ARG 14 HD2 ARG 14 16.060 -6.751 5.140 94 HD3 ARG 14 HD1 ARG 14 16.053 -5.789 6.620 95 HE ARG 14 HE ARG 14 15.082 -4.082 4.586 96 HH11 ARG 14 HH11 ARG 14 13.908 -6.626 3.563 97 HH12 ARG 14 HH12 ARG 14 12.379 -6.665 4.388 98 HH21 ARG 14 HH21 ARG 14 13.321 -4.335 6.749 99 HH22 ARG 14 HH22 ARG 14 12.050 -5.368 6.194 100 H CGU 15 HN CGU 15 18.608 -4.860 1.065 101 HA CGU 15 HA CGU 15 19.810 -7.182 -0.085 102 HB2 CGU 15 HB1 CGU 15 19.631 -5.857 -2.278 103 HB3 CGU 15 HB2 CGU 15 18.945 -4.552 -1.312 104 HG CGU 15 HG CGU 15 17.311 -6.317 -0.399 105 H LEU 16 HN LEU 16 21.144 -4.096 0.774 106 HA LEU 16 HA LEU 16 23.677 -4.957 -0.537 107 HB2 LEU 16 HB2 LEU 16 24.535 -2.701 -0.137 108 HB3 LEU 16 HB1 LEU 16 23.074 -2.680 -1.134 109 HG LEU 16 HG LEU 16 21.933 -2.461 1.307 110 HD11 LEU 16 HD11 LEU 16 24.775 -1.658 1.600 111 HD12 LEU 16 HD12 LEU 16 23.628 -2.209 2.820 112 HD13 LEU 16 HD13 LEU 16 23.587 -0.537 2.265 113 HD21 LEU 16 HD21 LEU 16 23.128 -0.189 -0.307 114 HD22 LEU 16 HD22 LEU 16 21.827 -0.026 0.872 115 HD23 LEU 16 HD23 LEU 16 21.568 -0.957 -0.602 116 H ALA 17 HN ALA 17 22.063 -4.377 2.474 117 HA ALA 17 HA ALA 17 24.177 -4.152 4.301 118 HB1 ALA 17 HB1 ALA 17 21.762 -4.276 4.965 119 HB2 ALA 17 HB2 ALA 17 22.778 -5.355 5.918 120 HB3 ALA 17 HB3 ALA 17 21.785 -6.005 4.614 121 H ASN 18 HN ASN 18 22.974 -7.031 2.568 122 HA ASN 18 HA ASN 18 24.985 -8.770 3.803 123 HB2 ASN 18 HB2 ASN 18 24.364 -10.331 1.894 124 HB3 ASN 18 HB1 ASN 18 23.040 -9.875 2.962 125 HD21 ASN 18 HD21 ASN 18 23.808 -7.169 1.141 126 HD22 ASN 18 HD22 ASN 18 22.670 -7.383 -0.129 127 H TYR 19 HN TYR 19 25.154 -6.370 1.394 128 HA TYR 19 HA TYR 19 27.923 -6.656 0.966 129 HB2 TYR 19 HB2 TYR 19 28.131 -7.607 -1.194 130 HB3 TYR 19 HB1 TYR 19 27.030 -8.688 -0.356 131 HD1 TYR 19 HD1 TYR 19 27.357 -6.132 -2.982 132 HD2 TYR 19 HD2 TYR 19 24.630 -8.681 -0.862 133 HE1 TYR 19 HE1 TYR 19 25.609 -5.680 -4.683 134 HE2 TYR 19 HE2 TYR 19 22.883 -8.228 -2.564 135 HN1 NH2 20 HN1 NH2 20 25.118 -5.700 -1.044 136 HN2 NH2 20 HN2 NH2 20 25.658 -4.080 -1.264 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 3.710 8.090 1.683 2 H2 GLY 1 HT2 GLY 1 4.935 9.284 1.592 3 H3 GLY 1 HT3 GLY 1 3.983 9.143 2.999 4 HA2 GLY 1 HA1 GLY 1 6.235 8.191 3.272 5 HA3 GLY 1 HA2 GLY 1 4.942 7.018 3.526 6 H GLU 2 HN GLU 2 4.244 5.898 1.412 7 HA GLU 2 HA GLU 2 6.218 4.266 0.348 8 HB2 GLU 2 HB2 GLU 2 4.449 4.719 -1.807 9 HB3 GLU 2 HB1 GLU 2 4.342 3.438 -0.603 10 HG2 GLU 2 HG2 GLU 2 2.247 4.841 -0.812 11 HG3 GLU 2 HG1 GLU 2 2.917 4.791 0.815 12 H CGU 3 HN CGU 3 4.893 7.066 -1.423 13 HA CGU 3 HA CGU 3 6.782 7.187 -3.498 14 HB2 CGU 3 HB1 CGU 3 5.575 9.623 -2.138 15 HB3 CGU 3 HB2 CGU 3 4.615 8.536 -3.168 16 HG CGU 3 HG CGU 3 5.231 9.988 -4.801 17 H CGU 4 HN CGU 4 6.927 8.543 -0.246 18 HA CGU 4 HA CGU 4 9.478 9.871 -0.596 19 HB2 CGU 4 HB1 CGU 4 9.453 9.910 1.915 20 HB3 CGU 4 HB2 CGU 4 7.997 8.929 1.886 21 HG CGU 4 HG CGU 4 8.330 11.736 0.778 22 H LEU 5 HN LEU 5 8.396 6.775 0.772 23 HA LEU 5 HA LEU 5 11.071 5.841 1.399 24 HB2 LEU 5 HB2 LEU 5 8.403 4.418 1.109 25 HB3 LEU 5 HB1 LEU 5 9.902 3.610 1.645 26 HG LEU 5 HG LEU 5 8.849 6.111 2.997 27 HD11 LEU 5 HD11 LEU 5 7.090 4.410 3.140 28 HD12 LEU 5 HD12 LEU 5 7.880 4.588 4.706 29 HD13 LEU 5 HD13 LEU 5 8.266 3.211 3.676 30 HD21 LEU 5 HD21 LEU 5 10.208 4.319 4.730 31 HD22 LEU 5 HD22 LEU 5 10.775 5.879 4.144 32 HD23 LEU 5 HD23 LEU 5 11.164 4.410 3.254 33 H ALA 6 HN ALA 6 8.837 5.421 -1.356 34 HA ALA 6 HA ALA 6 10.174 3.391 -2.779 35 HB1 ALA 6 HB1 ALA 6 8.302 5.495 -3.397 36 HB2 ALA 6 HB2 ALA 6 8.558 3.972 -4.248 37 HB3 ALA 6 HB3 ALA 6 9.502 5.397 -4.685 38 H CGU 7 HN CGU 7 11.283 6.557 -2.014 39 HA CGU 7 HA CGU 7 13.342 6.690 -4.099 40 HB2 CGU 7 HB1 CGU 7 14.033 8.723 -3.023 41 HB3 CGU 7 HB2 CGU 7 13.254 8.264 -1.508 42 HG CGU 7 HG CGU 7 11.055 8.245 -2.846 43 H LYS 8 HN LYS 8 12.929 4.918 -1.292 44 HA LYS 8 HA LYS 8 15.754 4.089 -1.314 45 HB2 LYS 8 HB2 LYS 8 15.670 6.048 0.262 46 HB3 LYS 8 HB1 LYS 8 14.531 5.128 1.249 47 HG2 LYS 8 HG2 LYS 8 16.421 4.331 2.266 48 HG3 LYS 8 HG1 LYS 8 16.474 3.264 0.871 49 HD2 LYS 8 HD2 LYS 8 17.785 5.989 0.901 50 HD3 LYS 8 HD1 LYS 8 18.629 4.528 1.338 51 HE2 LYS 8 HE2 LYS 8 19.159 4.469 -0.877 52 HE3 LYS 8 HE1 LYS 8 17.556 3.753 -1.034 53 HZ1 LYS 8 HZ1 LYS 8 16.654 5.702 -1.832 54 HZ2 LYS 8 HZ2 LYS 8 18.251 5.865 -2.414 55 HZ3 LYS 8 HZ3 LYS 8 17.775 6.680 -1.004 56 H ALA 9 HN ALA 9 12.938 3.871 0.864 57 HA ALA 9 HA ALA 9 11.868 1.969 1.734 58 HB1 ALA 9 HB1 ALA 9 12.656 -0.008 -0.202 59 HB2 ALA 9 HB2 ALA 9 12.289 1.494 -1.048 60 HB3 ALA 9 HB3 ALA 9 11.079 0.755 0.000 61 HA PRO 10 HA PRO 10 15.982 1.153 3.761 62 HB2 PRO 10 HB2 PRO 10 14.393 0.013 5.902 63 HB3 PRO 10 HB1 PRO 10 15.326 1.540 5.881 64 HG2 PRO 10 HG2 PRO 10 12.455 1.079 5.432 65 HG3 PRO 10 HG1 PRO 10 13.303 2.546 5.947 66 HD2 PRO 10 HD2 PRO 10 12.217 2.334 3.489 67 HD3 PRO 10 HD1 PRO 10 13.730 3.230 3.757 68 H CGU 11 HN CGU 11 14.115 -0.922 2.128 69 HA CGU 11 HA CGU 11 15.077 -3.427 3.357 70 HB2 CGU 11 HB1 CGU 11 13.099 -2.665 1.218 71 HB3 CGU 11 HB2 CGU 11 12.878 -3.733 2.597 72 HG CGU 11 HG CGU 11 14.556 -4.389 0.157 73 H PHE 12 HN PHE 12 15.804 -1.084 0.909 74 HA PHE 12 HA PHE 12 17.431 -2.754 -0.812 75 HB2 PHE 12 HB2 PHE 12 18.052 -0.742 -1.868 76 HB3 PHE 12 HB1 PHE 12 16.481 -0.316 -1.185 77 HD1 PHE 12 HD1 PHE 12 16.510 0.623 1.264 78 HD2 PHE 12 HD2 PHE 12 19.923 0.572 -1.337 79 HE1 PHE 12 HE1 PHE 12 17.599 2.343 2.668 80 HE2 PHE 12 HE2 PHE 12 21.010 2.307 0.064 81 HZ PHE 12 HZ PHE 12 19.840 3.188 2.069 82 H ALA 13 HN ALA 13 18.066 -0.651 1.967 83 HA ALA 13 HA ALA 13 20.850 -0.781 2.142 84 HB1 ALA 13 HB1 ALA 13 19.818 0.615 3.731 85 HB2 ALA 13 HB2 ALA 13 20.349 -0.747 4.717 86 HB3 ALA 13 HB3 ALA 13 18.662 -0.627 4.214 87 H ARG 14 HN ARG 14 18.443 -3.048 3.483 88 HA ARG 14 HA ARG 14 20.482 -4.896 4.359 89 HB2 ARG 14 HB2 ARG 14 17.529 -5.463 4.035 90 HB3 ARG 14 HB1 ARG 14 18.680 -6.306 5.071 91 HG2 ARG 14 HG2 ARG 14 19.079 -4.202 6.316 92 HG3 ARG 14 HG1 ARG 14 17.863 -3.398 5.306 93 HD2 ARG 14 HD2 ARG 14 16.255 -5.262 6.080 94 HD3 ARG 14 HD1 ARG 14 17.455 -5.605 7.332 95 HE ARG 14 HE ARG 14 17.136 -3.239 8.117 96 HH11 ARG 14 HH11 ARG 14 14.710 -4.191 9.014 97 HH12 ARG 14 HH12 ARG 14 13.494 -3.332 8.135 98 HH21 ARG 14 HH21 ARG 14 15.658 -2.320 5.631 99 HH22 ARG 14 HH22 ARG 14 14.027 -2.291 6.222 100 H CGU 15 HN CGU 15 18.389 -4.582 1.491 101 HA CGU 15 HA CGU 15 18.912 -7.150 0.360 102 HB2 CGU 15 HB1 CGU 15 18.679 -5.846 -1.907 103 HB3 CGU 15 HB2 CGU 15 18.240 -4.485 -0.881 104 HG CGU 15 HG CGU 15 16.546 -6.031 0.227 105 H LEU 16 HN LEU 16 20.938 -4.326 0.610 106 HA LEU 16 HA LEU 16 22.953 -5.800 -1.020 107 HB2 LEU 16 HB2 LEU 16 24.265 -3.749 -1.110 108 HB3 LEU 16 HB1 LEU 16 22.643 -3.500 -1.771 109 HG LEU 16 HG LEU 16 22.102 -2.785 0.737 110 HD11 LEU 16 HD11 LEU 16 23.872 -2.345 2.071 111 HD12 LEU 16 HD12 LEU 16 24.721 -1.495 0.781 112 HD13 LEU 16 HD13 LEU 16 24.850 -3.248 0.915 113 HD21 LEU 16 HD21 LEU 16 23.221 -1.289 -1.581 114 HD22 LEU 16 HD22 LEU 16 23.134 -0.424 -0.047 115 HD23 LEU 16 HD23 LEU 16 21.672 -1.100 -0.761 116 H ALA 17 HN ALA 17 22.135 -4.660 2.148 117 HA ALA 17 HA ALA 17 24.604 -4.711 3.480 118 HB1 ALA 17 HB1 ALA 17 23.408 -5.421 5.484 119 HB2 ALA 17 HB2 ALA 17 22.067 -6.031 4.514 120 HB3 ALA 17 HB3 ALA 17 22.381 -4.295 4.598 121 H ASN 18 HN ASN 18 22.561 -7.420 2.365 122 HA ASN 18 HA ASN 18 24.436 -9.420 3.413 123 HB2 ASN 18 HB2 ASN 18 23.174 -10.974 1.831 124 HB3 ASN 18 HB1 ASN 18 22.207 -10.197 3.082 125 HD21 ASN 18 HD21 ASN 18 23.028 -7.830 0.851 126 HD22 ASN 18 HD22 ASN 18 21.624 -7.913 -0.136 127 H TYR 19 HN TYR 19 24.537 -7.303 0.751 128 HA TYR 19 HA TYR 19 27.075 -8.144 -0.131 129 HB2 TYR 19 HB2 TYR 19 26.676 -9.255 -2.196 130 HB3 TYR 19 HB1 TYR 19 25.646 -10.076 -1.033 131 HD1 TYR 19 HD1 TYR 19 23.212 -9.649 -0.990 132 HD2 TYR 19 HD2 TYR 19 25.748 -7.882 -3.969 133 HE1 TYR 19 HE1 TYR 19 21.216 -9.047 -2.331 134 HE2 TYR 19 HE2 TYR 19 23.748 -7.282 -5.312 135 HN1 NH2 20 HN1 NH2 20 24.130 -6.844 -1.704 136 HN2 NH2 20 HN2 NH2 20 24.884 -5.379 -2.208
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