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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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649665 |
6vhj ![]() ![]() |
30712 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HT1 PHE 1 14.204 -2.529 6.208 2 H2 PHE 1 HT2 PHE 1 13.324 -2.101 4.819 3 H3 PHE 1 HT3 PHE 1 13.831 -3.708 5.048 4 HA PHE 1 HA PHE 1 12.155 -4.209 6.432 5 HB2 PHE 1 HB2 PHE 1 13.000 -2.727 8.194 6 HB3 PHE 1 HB1 PHE 1 12.299 -1.329 7.377 7 HD1 PHE 1 HD1 PHE 1 11.447 -4.576 9.001 8 HD2 PHE 1 HD2 PHE 1 10.020 -0.749 7.671 9 HE1 PHE 1 HE1 PHE 1 9.284 -4.986 10.142 10 HE2 PHE 1 HE2 PHE 1 7.857 -1.160 8.812 11 HZ PHE 1 HZ PHE 1 7.488 -3.278 10.047 12 H PHE 2 HN PHE 2 11.926 -0.975 4.964 13 HA PHE 2 HA PHE 2 9.124 -1.439 4.268 14 HB2 PHE 2 HB2 PHE 2 9.454 0.767 4.996 15 HB3 PHE 2 HB1 PHE 2 10.970 0.928 4.109 16 HD1 PHE 2 HD1 PHE 2 7.549 -0.259 3.104 17 HD2 PHE 2 HD2 PHE 2 10.744 2.537 2.453 18 HE1 PHE 2 HE1 PHE 2 6.330 0.684 1.158 19 HE2 PHE 2 HE2 PHE 2 9.527 3.479 0.511 20 HZ PHE 2 HZ PHE 2 7.319 2.554 -0.137 21 H CYS 3 HN CYS 3 9.417 -3.144 2.751 22 HA CYS 3 HA CYS 3 10.907 -2.490 0.319 23 HB2 CYS 3 HB2 CYS 3 9.901 -4.970 1.577 24 HB3 CYS 3 HB1 CYS 3 9.850 -4.924 -0.185 25 H VAL 4 HN VAL 4 9.851 -1.325 -1.142 26 HA VAL 4 HA VAL 4 7.040 -1.058 -1.280 27 HB VAL 4 HB VAL 4 7.680 -0.149 -3.658 28 HG11 VAL 4 HG11 VAL 4 9.017 1.338 -1.439 29 HG12 VAL 4 HG12 VAL 4 7.294 0.999 -1.279 30 HG13 VAL 4 HG13 VAL 4 7.887 1.925 -2.659 31 HG21 VAL 4 HG21 VAL 4 9.966 -1.350 -3.421 32 HG22 VAL 4 HG22 VAL 4 10.384 -0.040 -2.314 33 HG23 VAL 4 HG23 VAL 4 9.979 0.317 -3.995 34 H GLN 5 HN GLN 5 9.337 -3.029 -3.126 35 HA GLN 5 HA GLN 5 7.345 -4.999 -3.705 36 HB2 GLN 5 HB2 GLN 5 7.873 -4.544 -6.311 37 HB3 GLN 5 HB1 GLN 5 6.469 -3.870 -5.485 38 HG2 GLN 5 HG2 GLN 5 7.724 -1.808 -5.005 39 HG3 GLN 5 HG1 GLN 5 9.146 -2.480 -5.803 40 HE21 GLN 5 HE21 GLN 5 7.386 -0.083 -6.538 41 HE22 GLN 5 HE22 GLN 5 6.932 -0.379 -8.149 42 H GLY 6 HN GLY 6 8.798 -6.509 -2.981 43 HA2 GLY 6 HA2 GLY 6 10.477 -8.075 -3.200 44 HA3 GLY 6 HA1 GLY 6 10.738 -7.470 -4.834 45 H DBB 7 HN DBB 7 10.854 -5.243 -2.191 46 HA DBB 7 HA DBB 7 13.638 -5.438 -1.604 47 HB2 DBB 7 HB2 DBB 7 11.572 -3.290 -1.140 48 HG1 DBB 7 HG1 DBB 7 14.419 -3.019 -1.163 49 HG2 DBB 7 HG2 DBB 7 13.876 -2.951 0.513 50 HG3 DBB 7 HG3 DBB 7 13.216 -1.826 -0.674 51 H ALA 8 HN ALA 8 11.718 -3.270 -3.664 52 HA ALA 8 HA ALA 8 14.189 -2.600 -5.132 53 HB1 ALA 8 HB1 ALA 8 12.760 -3.487 -6.724 54 HB2 ALA 8 HB2 ALA 8 12.359 -1.773 -6.836 55 HB3 ALA 8 HB3 ALA 8 11.315 -2.864 -5.925 56 H ASN 9 HN ASN 9 13.208 -1.332 -2.614 57 HA ASN 9 HA ASN 9 12.013 1.150 -3.034 58 HB2 ASN 9 HB2 ASN 9 12.673 -0.037 -0.830 59 HB3 ASN 9 HB1 ASN 9 14.227 0.764 -1.032 60 HD21 ASN 9 HD21 ASN 9 11.538 1.168 0.700 61 HD22 ASN 9 HD22 ASN 9 11.381 2.861 0.672 62 H ARG 10 HN ARG 10 15.416 1.125 -2.116 63 HA ARG 10 HA ARG 10 17.218 2.306 -2.890 64 HB2 ARG 10 HB2 ARG 10 16.117 2.659 -5.610 65 HB3 ARG 10 HB1 ARG 10 17.687 2.044 -5.101 66 HG2 ARG 10 HG2 ARG 10 15.054 0.538 -5.083 67 HG3 ARG 10 HG1 ARG 10 16.448 0.226 -6.113 68 HD2 ARG 10 HD2 ARG 10 16.548 0.068 -3.094 69 HD3 ARG 10 HD1 ARG 10 16.248 -1.321 -4.133 70 HE ARG 10 HE ARG 10 18.586 -0.044 -5.032 71 HH11 ARG 10 HH11 ARG 10 17.362 -1.761 -2.290 72 HH12 ARG 10 HH12 ARG 10 18.902 -2.412 -1.839 73 HH21 ARG 10 HH21 ARG 10 20.605 -0.895 -4.451 74 HH22 ARG 10 HH22 ARG 10 20.739 -1.922 -3.064 75 H PHE 11 HN PHE 11 15.436 3.836 -1.567 76 HA PHE 11 HA PHE 11 16.043 6.436 -2.284 77 HB2 PHE 11 HB2 PHE 11 13.911 7.265 -3.228 78 HB3 PHE 11 HB1 PHE 11 14.692 6.101 -4.301 79 HD1 PHE 11 HD1 PHE 11 12.350 6.051 -1.351 80 HD2 PHE 11 HD2 PHE 11 13.342 4.476 -5.219 81 HE1 PHE 11 HE1 PHE 11 10.354 4.584 -1.258 82 HE2 PHE 11 HE2 PHE 11 11.350 3.006 -5.133 83 HZ PHE 11 HZ PHE 11 9.861 3.054 -3.157 84 H DBB 12 HN DBB 12 14.175 4.129 -0.641 85 HA DBB 12 HA DBB 12 12.332 5.396 0.881 86 HB2 DBB 12 HB2 DBB 12 13.908 5.823 2.996 87 HG1 DBB 12 HG1 DBB 12 15.798 5.323 1.033 88 HG2 DBB 12 HG2 DBB 12 16.100 6.183 2.544 89 HG3 DBB 12 HG3 DBB 12 15.731 7.084 1.074 90 H ILE 13 HN ILE 13 15.034 3.249 0.728 91 HA ILE 13 HA ILE 13 13.908 0.892 1.303 92 HB ILE 13 HB ILE 13 16.488 1.457 2.710 93 HG12 ILE 13 HG12 ILE 13 17.399 1.081 0.226 94 HG13 ILE 13 HG11 ILE 13 15.876 1.867 -0.189 95 HG21 ILE 13 HG21 ILE 13 17.014 -0.735 2.032 96 HG22 ILE 13 HG22 ILE 13 15.852 -0.700 0.705 97 HG23 ILE 13 HG23 ILE 13 15.285 -0.833 2.370 98 HD11 ILE 13 HD11 ILE 13 16.758 3.471 1.844 99 HD12 ILE 13 HD12 ILE 13 17.042 3.794 0.134 100 HD13 ILE 13 HD13 ILE 13 18.283 2.993 1.097 101 H ASN 14 HN ASN 14 15.083 3.137 3.808 102 HA ASN 14 HA ASN 14 14.400 1.541 6.026 103 HB2 ASN 14 HB2 ASN 14 14.763 4.506 5.649 104 HB3 ASN 14 HB1 ASN 14 14.312 3.825 7.212 105 HD21 ASN 14 HD21 ASN 14 16.838 5.146 6.786 106 HD22 ASN 14 HD22 ASN 14 18.066 3.985 6.949 107 H VAL 15 HN VAL 15 12.571 3.956 4.206 108 HA VAL 15 HA VAL 15 10.078 2.928 4.347 109 HB VAL 15 HB VAL 15 10.089 2.723 6.721 110 HG11 VAL 15 HG11 VAL 15 12.015 4.407 6.947 111 HG12 VAL 15 HG12 VAL 15 10.799 4.429 8.224 112 HG13 VAL 15 HG13 VAL 15 10.772 5.658 6.959 113 HG21 VAL 15 HG21 VAL 15 8.667 5.331 6.584 114 HG22 VAL 15 HG22 VAL 15 8.089 3.763 7.149 115 HG23 VAL 15 HG23 VAL 15 8.164 4.105 5.421 116 H CYS 16 HN CYS 16 12.149 5.330 3.710 117 HA CYS 16 HA CYS 16 10.218 7.499 3.496 118 HB2 CYS 16 HB2 CYS 16 12.015 8.880 3.374 119 HB3 CYS 16 HB1 CYS 16 12.873 7.491 4.038 Start of MODEL 2 1 H1 PHE 1 HT1 PHE 1 13.025 -1.623 6.918 2 H2 PHE 1 HT2 PHE 1 13.254 -2.973 5.911 3 H3 PHE 1 HT3 PHE 1 13.737 -3.032 7.538 4 HA PHE 1 HA PHE 1 11.713 -4.253 7.327 5 HB2 PHE 1 HB2 PHE 1 11.289 -1.513 8.560 6 HB3 PHE 1 HB1 PHE 1 10.288 -2.931 8.875 7 HD1 PHE 1 HD1 PHE 1 13.495 -1.296 9.516 8 HD2 PHE 1 HD2 PHE 1 11.229 -4.906 10.045 9 HE1 PHE 1 HE1 PHE 1 15.103 -2.051 11.247 10 HE2 PHE 1 HE2 PHE 1 12.837 -5.662 11.776 11 HZ PHE 1 HZ PHE 1 14.774 -4.234 12.377 12 H PHE 2 HN PHE 2 12.000 -1.548 5.339 13 HA PHE 2 HA PHE 2 9.207 -1.810 4.402 14 HB2 PHE 2 HB2 PHE 2 9.704 0.449 5.152 15 HB3 PHE 2 HB1 PHE 2 11.141 0.503 4.131 16 HD1 PHE 2 HD1 PHE 2 7.978 -1.119 3.125 17 HD2 PHE 2 HD2 PHE 2 10.448 2.376 2.762 18 HE1 PHE 2 HE1 PHE 2 6.597 -0.342 1.216 19 HE2 PHE 2 HE2 PHE 2 9.067 3.154 0.855 20 HZ PHE 2 HZ PHE 2 7.141 1.795 0.083 21 H CYS 3 HN CYS 3 9.057 -3.053 2.655 22 HA CYS 3 HA CYS 3 11.131 -2.792 0.573 23 HB2 CYS 3 HB2 CYS 3 10.430 -5.126 2.068 24 HB3 CYS 3 HB1 CYS 3 9.918 -5.362 0.396 25 H VAL 4 HN VAL 4 10.356 -2.305 -1.407 26 HA VAL 4 HA VAL 4 7.450 -2.624 -1.858 27 HB VAL 4 HB VAL 4 7.711 -0.710 -3.464 28 HG11 VAL 4 HG11 VAL 4 7.815 -0.676 -0.556 29 HG12 VAL 4 HG12 VAL 4 6.869 0.333 -1.650 30 HG13 VAL 4 HG13 VAL 4 8.524 0.786 -1.243 31 HG21 VAL 4 HG21 VAL 4 10.051 -0.770 -3.956 32 HG22 VAL 4 HG22 VAL 4 10.483 -0.731 -2.246 33 HG23 VAL 4 HG23 VAL 4 9.801 0.701 -3.016 34 H GLN 5 HN GLN 5 6.840 -3.874 -3.512 35 HA GLN 5 HA GLN 5 7.125 -5.506 -5.143 36 HB2 GLN 5 HB2 GLN 5 8.288 -4.291 -7.215 37 HB3 GLN 5 HB1 GLN 5 6.646 -3.893 -6.707 38 HG2 GLN 5 HG2 GLN 5 7.544 -2.049 -5.307 39 HG3 GLN 5 HG1 GLN 5 9.167 -2.427 -5.881 40 HE21 GLN 5 HE21 GLN 5 8.002 0.136 -6.369 41 HE22 GLN 5 HE22 GLN 5 7.717 0.285 -8.043 42 H GLY 6 HN GLY 6 8.691 -6.701 -3.785 43 HA2 GLY 6 HA2 GLY 6 10.647 -7.888 -3.547 44 HA3 GLY 6 HA1 GLY 6 10.947 -7.516 -5.243 45 H DBB 7 HN DBB 7 11.148 -6.085 -1.991 46 HA DBB 7 HA DBB 7 13.710 -5.398 -1.773 47 HB2 DBB 7 HB2 DBB 7 11.295 -3.725 -1.126 48 HG1 DBB 7 HG1 DBB 7 12.576 -1.925 -0.697 49 HG2 DBB 7 HG2 DBB 7 13.958 -2.766 -1.396 50 HG3 DBB 7 HG3 DBB 7 13.631 -2.899 0.328 51 H ALA 8 HN ALA 8 11.491 -2.975 -3.170 52 HA ALA 8 HA ALA 8 13.689 -2.151 -4.971 53 HB1 ALA 8 HB1 ALA 8 12.188 -1.806 -6.705 54 HB2 ALA 8 HB2 ALA 8 10.816 -1.610 -5.615 55 HB3 ALA 8 HB3 ALA 8 11.479 -3.216 -5.916 56 H ASN 9 HN ASN 9 13.041 -1.210 -2.238 57 HA ASN 9 HA ASN 9 12.094 1.523 -2.739 58 HB2 ASN 9 HB2 ASN 9 11.115 0.305 -0.836 59 HB3 ASN 9 HB1 ASN 9 12.721 0.118 -0.139 60 HD21 ASN 9 HD21 ASN 9 11.967 1.397 1.756 61 HD22 ASN 9 HD22 ASN 9 11.849 3.093 1.633 62 H ARG 10 HN ARG 10 14.203 1.745 -4.005 63 HA ARG 10 HA ARG 10 16.678 1.889 -2.606 64 HB2 ARG 10 HB2 ARG 10 15.728 3.013 -5.238 65 HB3 ARG 10 HB1 ARG 10 17.364 3.277 -4.635 66 HG2 ARG 10 HG2 ARG 10 17.554 1.341 -5.981 67 HG3 ARG 10 HG1 ARG 10 17.462 0.713 -4.335 68 HD2 ARG 10 HD2 ARG 10 15.062 0.296 -4.604 69 HD3 ARG 10 HD1 ARG 10 15.111 0.975 -6.229 70 HE ARG 10 HE ARG 10 16.183 -0.981 -6.979 71 HH11 ARG 10 HH11 ARG 10 15.787 -0.901 -3.542 72 HH12 ARG 10 HH12 ARG 10 16.171 -2.576 -3.321 73 HH21 ARG 10 HH21 ARG 10 16.688 -3.177 -6.696 74 HH22 ARG 10 HH22 ARG 10 16.681 -3.864 -5.106 75 H PHE 11 HN PHE 11 14.167 4.249 -3.390 76 HA PHE 11 HA PHE 11 15.558 6.558 -2.535 77 HB2 PHE 11 HB2 PHE 11 13.269 7.555 -2.346 78 HB3 PHE 11 HB1 PHE 11 13.572 6.772 -3.896 79 HD1 PHE 11 HD1 PHE 11 11.604 6.728 -0.833 80 HD2 PHE 11 HD2 PHE 11 12.663 4.474 -4.331 81 HE1 PHE 11 HE1 PHE 11 9.659 5.235 -0.460 82 HE2 PHE 11 HE2 PHE 11 10.720 2.983 -3.962 83 HZ PHE 11 HZ PHE 11 9.218 3.361 -2.025 84 H DBB 12 HN DBB 12 13.068 4.628 -0.850 85 HA DBB 12 HA DBB 12 12.429 4.715 1.383 86 HB2 DBB 12 HB2 DBB 12 13.148 6.390 2.797 87 HG1 DBB 12 HG1 DBB 12 15.575 7.409 1.822 88 HG2 DBB 12 HG2 DBB 12 15.746 5.657 1.774 89 HG3 DBB 12 HG3 DBB 12 15.341 6.460 3.290 90 H ILE 13 HN ILE 13 13.940 2.700 0.262 91 HA ILE 13 HA ILE 13 15.026 0.796 0.971 92 HB ILE 13 HB ILE 13 16.980 2.871 2.005 93 HG12 ILE 13 HG12 ILE 13 17.133 1.373 -0.611 94 HG13 ILE 13 HG11 ILE 13 16.224 2.880 -0.489 95 HG21 ILE 13 HG21 ILE 13 18.489 0.771 1.276 96 HG22 ILE 13 HG22 ILE 13 17.019 -0.100 1.713 97 HG23 ILE 13 HG23 ILE 13 17.826 0.923 2.904 98 HD11 ILE 13 HD11 ILE 13 18.652 3.130 -1.208 99 HD12 ILE 13 HD12 ILE 13 19.097 2.628 0.423 100 HD13 ILE 13 HD13 ILE 13 18.166 4.107 0.178 101 H ASN 14 HN ASN 14 13.357 2.578 2.991 102 HA ASN 14 HA ASN 14 13.214 0.750 5.077 103 HB2 ASN 14 HB2 ASN 14 15.601 1.653 5.425 104 HB3 ASN 14 HB1 ASN 14 14.823 3.138 5.963 105 HD21 ASN 14 HD21 ASN 14 15.383 2.917 8.211 106 HD22 ASN 14 HD22 ASN 14 14.761 1.672 9.183 107 H VAL 15 HN VAL 15 13.123 4.184 4.238 108 HA VAL 15 HA VAL 15 10.408 4.549 4.616 109 HB VAL 15 HB VAL 15 10.651 4.008 6.949 110 HG11 VAL 15 HG11 VAL 15 12.306 6.095 7.933 111 HG12 VAL 15 HG12 VAL 15 13.179 5.338 6.602 112 HG13 VAL 15 HG13 VAL 15 12.628 4.362 7.963 113 HG21 VAL 15 HG21 VAL 15 9.674 5.945 7.898 114 HG22 VAL 15 HG22 VAL 15 9.299 6.082 6.180 115 HG23 VAL 15 HG23 VAL 15 10.618 7.027 6.873 116 H CYS 16 HN CYS 16 10.531 5.995 2.963 117 HA CYS 16 HA CYS 16 12.374 8.267 3.183 118 HB2 CYS 16 HB2 CYS 16 10.971 6.886 0.991 119 HB3 CYS 16 HB1 CYS 16 11.022 8.642 0.841 Start of MODEL 3 1 H1 PHE 1 HT1 PHE 1 13.022 -2.815 8.399 2 H2 PHE 1 HT2 PHE 1 11.630 -1.856 8.229 3 H3 PHE 1 HT3 PHE 1 12.751 -1.965 6.957 4 HA PHE 1 HA PHE 1 12.259 -4.355 6.755 5 HB2 PHE 1 HB2 PHE 1 10.088 -3.636 8.750 6 HB3 PHE 1 HB1 PHE 1 10.232 -5.181 7.911 7 HD1 PHE 1 HD1 PHE 1 11.559 -3.054 10.577 8 HD2 PHE 1 HD2 PHE 1 12.137 -6.697 8.376 9 HE1 PHE 1 HE1 PHE 1 13.146 -3.848 12.309 10 HE2 PHE 1 HE2 PHE 1 13.724 -7.492 10.107 11 HZ PHE 1 HZ PHE 1 14.228 -6.067 12.075 12 H PHE 2 HN PHE 2 11.839 -1.700 5.590 13 HA PHE 2 HA PHE 2 9.142 -1.987 4.431 14 HB2 PHE 2 HB2 PHE 2 9.461 0.206 5.318 15 HB3 PHE 2 HB1 PHE 2 11.055 0.347 4.577 16 HD1 PHE 2 HD1 PHE 2 8.216 -1.216 2.830 17 HD2 PHE 2 HD2 PHE 2 10.512 2.381 3.334 18 HE1 PHE 2 HE1 PHE 2 7.181 -0.269 0.784 19 HE2 PHE 2 HE2 PHE 2 9.476 3.327 1.290 20 HZ PHE 2 HZ PHE 2 7.810 2.004 0.016 21 H CYS 3 HN CYS 3 9.025 -2.966 2.524 22 HA CYS 3 HA CYS 3 11.191 -2.529 0.572 23 HB2 CYS 3 HB2 CYS 3 10.511 -5.007 1.848 24 HB3 CYS 3 HB1 CYS 3 10.159 -5.116 0.119 25 H VAL 4 HN VAL 4 10.479 -1.906 -1.366 26 HA VAL 4 HA VAL 4 7.600 -2.198 -1.947 27 HB VAL 4 HB VAL 4 8.203 -0.382 -3.708 28 HG11 VAL 4 HG11 VAL 4 6.957 0.726 -2.191 29 HG12 VAL 4 HG12 VAL 4 8.457 1.158 -1.370 30 HG13 VAL 4 HG13 VAL 4 7.566 -0.283 -0.882 31 HG21 VAL 4 HG21 VAL 4 10.657 -0.626 -3.441 32 HG22 VAL 4 HG22 VAL 4 10.517 -0.119 -1.757 33 HG23 VAL 4 HG23 VAL 4 10.126 1.011 -3.053 34 H GLN 5 HN GLN 5 7.180 -3.864 -3.244 35 HA GLN 5 HA GLN 5 7.185 -5.130 -5.182 36 HB2 GLN 5 HB2 GLN 5 9.632 -3.553 -6.011 37 HB3 GLN 5 HB1 GLN 5 8.582 -4.519 -7.044 38 HG2 GLN 5 HG2 GLN 5 7.689 -2.077 -5.484 39 HG3 GLN 5 HG1 GLN 5 8.087 -2.083 -7.204 40 HE21 GLN 5 HE21 GLN 5 5.434 -1.910 -5.409 41 HE22 GLN 5 HE22 GLN 5 4.364 -2.899 -6.294 42 H GLY 6 HN GLY 6 8.703 -5.647 -2.677 43 HA2 GLY 6 HA2 GLY 6 9.715 -7.750 -2.153 44 HA3 GLY 6 HA1 GLY 6 10.449 -7.760 -3.754 45 H DBB 7 HN DBB 7 11.068 -4.787 -3.247 46 HA DBB 7 HA DBB 7 13.621 -5.295 -1.881 47 HB2 DBB 7 HB2 DBB 7 11.549 -3.269 -1.110 48 HG1 DBB 7 HG1 DBB 7 13.196 -1.691 -1.232 49 HG2 DBB 7 HG2 DBB 7 14.484 -2.897 -1.261 50 HG3 DBB 7 HG3 DBB 7 13.739 -2.438 0.270 51 H ALA 8 HN ALA 8 11.654 -2.978 -3.729 52 HA ALA 8 HA ALA 8 14.108 -2.206 -5.191 53 HB1 ALA 8 HB1 ALA 8 11.361 -2.839 -6.053 54 HB2 ALA 8 HB2 ALA 8 12.880 -2.952 -6.943 55 HB3 ALA 8 HB3 ALA 8 12.057 -1.399 -6.798 56 H ASN 9 HN ASN 9 13.473 -0.971 -2.747 57 HA ASN 9 HA ASN 9 11.956 1.392 -2.998 58 HB2 ASN 9 HB2 ASN 9 12.938 0.223 -0.882 59 HB3 ASN 9 HB1 ASN 9 14.355 1.215 -1.205 60 HD21 ASN 9 HD21 ASN 9 11.760 1.256 0.737 61 HD22 ASN 9 HD22 ASN 9 11.421 2.926 0.776 62 H ARG 10 HN ARG 10 15.449 1.511 -2.450 63 HA ARG 10 HA ARG 10 17.077 2.856 -3.330 64 HB2 ARG 10 HB2 ARG 10 15.298 2.508 -5.735 65 HB3 ARG 10 HB1 ARG 10 16.811 3.411 -5.802 66 HG2 ARG 10 HG2 ARG 10 17.560 1.292 -6.385 67 HG3 ARG 10 HG1 ARG 10 17.782 1.243 -4.635 68 HD2 ARG 10 HD2 ARG 10 15.575 0.163 -4.390 69 HD3 ARG 10 HD1 ARG 10 15.361 0.204 -6.137 70 HE ARG 10 HE ARG 10 16.964 -1.517 -6.338 71 HH11 ARG 10 HH11 ARG 10 16.583 -0.381 -3.091 72 HH12 ARG 10 HH12 ARG 10 17.428 -1.716 -2.379 73 HH21 ARG 10 HH21 ARG 10 18.071 -3.270 -5.410 74 HH22 ARG 10 HH22 ARG 10 18.270 -3.351 -3.692 75 H PHE 11 HN PHE 11 15.181 4.133 -1.774 76 HA PHE 11 HA PHE 11 15.615 6.823 -2.273 77 HB2 PHE 11 HB2 PHE 11 13.454 7.599 -3.148 78 HB3 PHE 11 HB1 PHE 11 14.235 6.511 -4.293 79 HD1 PHE 11 HD1 PHE 11 12.026 6.205 -1.268 80 HD2 PHE 11 HD2 PHE 11 12.843 4.944 -5.291 81 HE1 PHE 11 HE1 PHE 11 10.055 4.713 -1.196 82 HE2 PHE 11 HE2 PHE 11 10.873 3.447 -5.221 83 HZ PHE 11 HZ PHE 11 9.471 3.328 -3.176 84 H DBB 12 HN DBB 12 14.570 4.369 -0.457 85 HA DBB 12 HA DBB 12 12.546 5.574 1.150 86 HB2 DBB 12 HB2 DBB 12 14.110 5.702 3.200 87 HG1 DBB 12 HG1 DBB 12 16.264 5.154 2.835 88 HG2 DBB 12 HG2 DBB 12 16.403 6.562 1.782 89 HG3 DBB 12 HG3 DBB 12 15.964 4.992 1.104 90 H ILE 13 HN ILE 13 15.140 3.237 0.784 91 HA ILE 13 HA ILE 13 13.857 0.919 0.943 92 HB ILE 13 HB ILE 13 16.257 1.216 2.729 93 HG12 ILE 13 HG12 ILE 13 17.415 0.878 0.325 94 HG13 ILE 13 HG11 ILE 13 16.016 1.826 -0.183 95 HG21 ILE 13 HG21 ILE 13 16.738 -0.973 2.022 96 HG22 ILE 13 HG22 ILE 13 15.758 -0.818 0.562 97 HG23 ILE 13 HG23 ILE 13 14.978 -0.982 2.136 98 HD11 ILE 13 HD11 ILE 13 17.300 3.614 0.395 99 HD12 ILE 13 HD12 ILE 13 18.362 2.642 1.413 100 HD13 ILE 13 HD13 ILE 13 16.813 3.208 2.040 101 H ASN 14 HN ASN 14 15.157 2.310 3.965 102 HA ASN 14 HA ASN 14 13.600 0.662 5.659 103 HB2 ASN 14 HB2 ASN 14 15.643 1.741 6.442 104 HB3 ASN 14 HB1 ASN 14 14.915 3.329 6.213 105 HD21 ASN 14 HD21 ASN 14 15.811 2.635 8.785 106 HD22 ASN 14 HD22 ASN 14 14.474 2.381 9.799 107 H VAL 15 HN VAL 15 13.125 3.942 4.413 108 HA VAL 15 HA VAL 15 10.422 3.962 4.175 109 HB VAL 15 HB VAL 15 11.223 4.139 7.024 110 HG11 VAL 15 HG11 VAL 15 8.930 5.518 7.217 111 HG12 VAL 15 HG12 VAL 15 9.480 6.139 5.660 112 HG13 VAL 15 HG13 VAL 15 10.495 6.325 7.091 113 HG21 VAL 15 HG21 VAL 15 8.423 3.665 6.316 114 HG22 VAL 15 HG22 VAL 15 9.543 2.636 7.209 115 HG23 VAL 15 HG23 VAL 15 9.525 2.598 5.446 116 H CYS 16 HN CYS 16 10.985 5.443 2.590 117 HA CYS 16 HA CYS 16 10.751 8.146 3.133 118 HB2 CYS 16 HB2 CYS 16 12.827 9.022 3.469 119 HB3 CYS 16 HB1 CYS 16 13.172 7.409 4.095 Start of MODEL 4 1 H1 PHE 1 HT1 PHE 1 10.355 -4.844 8.030 2 H2 PHE 1 HT2 PHE 1 11.988 -5.243 7.786 3 H3 PHE 1 HT3 PHE 1 10.909 -5.233 6.475 4 HA PHE 1 HA PHE 1 11.242 -2.763 8.010 5 HB2 PHE 1 HB2 PHE 1 13.187 -2.155 6.610 6 HB3 PHE 1 HB1 PHE 1 13.547 -3.544 7.636 7 HD1 PHE 1 HD1 PHE 1 13.303 -2.317 4.247 8 HD2 PHE 1 HD2 PHE 1 13.344 -5.881 6.645 9 HE1 PHE 1 HE1 PHE 1 13.844 -3.664 2.236 10 HE2 PHE 1 HE2 PHE 1 13.886 -7.228 4.634 11 HZ PHE 1 HZ PHE 1 14.135 -6.120 2.430 12 H PHE 2 HN PHE 2 11.825 -1.233 5.753 13 HA PHE 2 HA PHE 2 9.251 -1.336 4.390 14 HB2 PHE 2 HB2 PHE 2 10.000 0.828 5.188 15 HB3 PHE 2 HB1 PHE 2 11.515 0.671 4.297 16 HD1 PHE 2 HD1 PHE 2 8.574 -0.716 2.709 17 HD2 PHE 2 HD2 PHE 2 10.898 2.865 3.184 18 HE1 PHE 2 HE1 PHE 2 7.493 0.251 0.698 19 HE2 PHE 2 HE2 PHE 2 9.817 3.833 1.174 20 HZ PHE 2 HZ PHE 2 8.114 2.527 -0.069 21 H CYS 3 HN CYS 3 9.031 -2.505 2.602 22 HA CYS 3 HA CYS 3 11.198 -2.460 0.610 23 HB2 CYS 3 HB2 CYS 3 10.341 -4.748 2.137 24 HB3 CYS 3 HB1 CYS 3 9.988 -5.002 0.428 25 H VAL 4 HN VAL 4 10.489 -2.117 -1.434 26 HA VAL 4 HA VAL 4 7.577 -2.315 -1.913 27 HB VAL 4 HB VAL 4 8.051 -0.480 -3.649 28 HG11 VAL 4 HG11 VAL 4 7.454 -0.413 -0.882 29 HG12 VAL 4 HG12 VAL 4 7.066 0.811 -2.090 30 HG13 VAL 4 HG13 VAL 4 8.574 0.916 -1.183 31 HG21 VAL 4 HG21 VAL 4 10.415 0.122 -1.880 32 HG22 VAL 4 HG22 VAL 4 10.041 0.763 -3.479 33 HG23 VAL 4 HG23 VAL 4 10.607 -0.898 -3.305 34 H GLN 5 HN GLN 5 6.972 -3.632 -3.508 35 HA GLN 5 HA GLN 5 7.119 -5.167 -5.219 36 HB2 GLN 5 HB2 GLN 5 9.158 -3.324 -6.456 37 HB3 GLN 5 HB1 GLN 5 7.930 -4.308 -7.255 38 HG2 GLN 5 HG2 GLN 5 7.353 -1.944 -5.444 39 HG3 GLN 5 HG1 GLN 5 7.310 -1.902 -7.207 40 HE21 GLN 5 HE21 GLN 5 5.239 -2.034 -4.679 41 HE22 GLN 5 HE22 GLN 5 3.997 -2.984 -5.354 42 H GLY 6 HN GLY 6 8.482 -6.200 -3.262 43 HA2 GLY 6 HA2 GLY 6 10.128 -7.730 -2.761 44 HA3 GLY 6 HA1 GLY 6 10.511 -7.758 -4.480 45 H DBB 7 HN DBB 7 10.880 -5.633 -1.637 46 HA DBB 7 HA DBB 7 13.607 -5.480 -1.529 47 HB2 DBB 7 HB2 DBB 7 11.519 -3.390 -0.962 48 HG1 DBB 7 HG1 DBB 7 13.121 -1.812 -0.842 49 HG2 DBB 7 HG2 DBB 7 14.341 -2.992 -1.324 50 HG3 DBB 7 HG3 DBB 7 13.944 -2.781 0.381 51 H ALA 8 HN ALA 8 11.584 -3.061 -3.214 52 HA ALA 8 HA ALA 8 13.877 -2.551 -5.013 53 HB1 ALA 8 HB1 ALA 8 11.552 -3.686 -5.819 54 HB2 ALA 8 HB2 ALA 8 12.555 -2.674 -6.857 55 HB3 ALA 8 HB3 ALA 8 11.162 -1.978 -6.030 56 H ASN 9 HN ASN 9 13.422 -1.163 -2.585 57 HA ASN 9 HA ASN 9 11.955 1.222 -2.878 58 HB2 ASN 9 HB2 ASN 9 13.073 0.161 -0.773 59 HB3 ASN 9 HB1 ASN 9 14.480 1.092 -1.262 60 HD21 ASN 9 HD21 ASN 9 12.407 1.415 1.036 61 HD22 ASN 9 HD22 ASN 9 11.953 3.053 0.921 62 H ARG 10 HN ARG 10 15.436 1.464 -2.466 63 HA ARG 10 HA ARG 10 17.041 2.651 -3.589 64 HB2 ARG 10 HB2 ARG 10 15.089 2.190 -5.843 65 HB3 ARG 10 HB1 ARG 10 16.605 3.063 -6.068 66 HG2 ARG 10 HG2 ARG 10 17.131 0.818 -6.615 67 HG3 ARG 10 HG1 ARG 10 17.737 1.024 -4.972 68 HD2 ARG 10 HD2 ARG 10 15.692 0.007 -4.069 69 HD3 ARG 10 HD1 ARG 10 15.044 -0.162 -5.699 70 HE ARG 10 HE ARG 10 16.500 -1.965 -6.054 71 HH11 ARG 10 HH11 ARG 10 17.164 -0.300 -3.093 72 HH12 ARG 10 HH12 ARG 10 18.232 -1.521 -2.485 73 HH21 ARG 10 HH21 ARG 10 17.899 -3.570 -5.263 74 HH22 ARG 10 HH22 ARG 10 18.648 -3.373 -3.714 75 H PHE 11 HN PHE 11 15.000 3.983 -2.064 76 HA PHE 11 HA PHE 11 15.497 6.667 -2.837 77 HB2 PHE 11 HB2 PHE 11 13.213 7.354 -3.413 78 HB3 PHE 11 HB1 PHE 11 13.807 6.153 -4.559 79 HD1 PHE 11 HD1 PHE 11 11.756 6.556 -1.467 80 HD2 PHE 11 HD2 PHE 11 12.676 4.100 -4.869 81 HE1 PHE 11 HE1 PHE 11 9.840 5.082 -0.918 82 HE2 PHE 11 HE2 PHE 11 10.763 2.623 -4.321 83 HZ PHE 11 HZ PHE 11 9.343 3.112 -2.348 84 H DBB 12 HN DBB 12 14.240 4.273 -0.799 85 HA DBB 12 HA DBB 12 12.634 5.517 1.026 86 HB2 DBB 12 HB2 DBB 12 14.663 6.037 2.723 87 HG1 DBB 12 HG1 DBB 12 15.795 7.394 0.362 88 HG2 DBB 12 HG2 DBB 12 16.035 5.648 0.373 89 HG3 DBB 12 HG3 DBB 12 16.618 6.626 1.718 90 H ILE 13 HN ILE 13 15.569 3.635 0.651 91 HA ILE 13 HA ILE 13 14.609 1.212 1.506 92 HB ILE 13 HB ILE 13 17.401 1.968 2.274 93 HG12 ILE 13 HG12 ILE 13 17.768 1.429 -0.324 94 HG13 ILE 13 HG11 ILE 13 16.166 2.159 -0.439 95 HG21 ILE 13 HG21 ILE 13 16.467 -0.359 0.605 96 HG22 ILE 13 HG22 ILE 13 16.261 -0.380 2.357 97 HG23 ILE 13 HG23 ILE 13 17.876 -0.252 1.660 98 HD11 ILE 13 HD11 ILE 13 17.318 3.960 1.190 99 HD12 ILE 13 HD12 ILE 13 17.413 4.086 -0.568 100 HD13 ILE 13 HD13 ILE 13 18.760 3.399 0.340 101 H ASN 14 HN ASN 14 13.167 1.703 3.273 102 HA ASN 14 HA ASN 14 13.756 0.864 5.724 103 HB2 ASN 14 HB2 ASN 14 15.008 3.518 5.330 104 HB3 ASN 14 HB1 ASN 14 14.150 3.288 6.853 105 HD21 ASN 14 HD21 ASN 14 14.668 0.496 7.249 106 HD22 ASN 14 HD22 ASN 14 16.334 0.297 7.506 107 H VAL 15 HN VAL 15 12.520 3.965 4.473 108 HA VAL 15 HA VAL 15 9.808 3.356 4.844 109 HB VAL 15 HB VAL 15 9.638 5.141 6.839 110 HG11 VAL 15 HG11 VAL 15 10.259 2.567 8.008 111 HG12 VAL 15 HG12 VAL 15 9.348 2.356 6.513 112 HG13 VAL 15 HG13 VAL 15 8.689 3.346 7.815 113 HG21 VAL 15 HG21 VAL 15 12.328 4.915 6.733 114 HG22 VAL 15 HG22 VAL 15 11.972 3.584 7.835 115 HG23 VAL 15 HG23 VAL 15 11.459 5.222 8.238 116 H CYS 16 HN CYS 16 12.386 5.480 4.226 117 HA CYS 16 HA CYS 16 10.842 7.865 3.802 118 HB2 CYS 16 HB2 CYS 16 12.869 8.811 3.766 119 HB3 CYS 16 HB1 CYS 16 13.578 7.208 3.962 Start of MODEL 5 1 H1 PHE 1 HT1 PHE 1 12.575 -1.461 7.541 2 H2 PHE 1 HT2 PHE 1 12.895 -2.372 6.142 3 H3 PHE 1 HT3 PHE 1 13.311 -2.984 7.672 4 HA PHE 1 HA PHE 1 11.384 -4.134 7.205 5 HB2 PHE 1 HB2 PHE 1 9.678 -3.172 8.685 6 HB3 PHE 1 HB1 PHE 1 11.280 -2.970 9.396 7 HD1 PHE 1 HD1 PHE 1 8.453 -1.264 7.768 8 HD2 PHE 1 HD2 PHE 1 12.352 -0.777 9.503 9 HE1 PHE 1 HE1 PHE 1 8.113 1.191 7.841 10 HE2 PHE 1 HE2 PHE 1 12.012 1.679 9.576 11 HZ PHE 1 HZ PHE 1 9.893 2.664 8.745 12 H PHE 2 HN PHE 2 11.802 -1.301 5.499 13 HA PHE 2 HA PHE 2 9.116 -1.396 4.281 14 HB2 PHE 2 HB2 PHE 2 9.960 0.810 5.067 15 HB3 PHE 2 HB1 PHE 2 11.309 0.667 3.943 16 HD1 PHE 2 HD1 PHE 2 10.013 2.992 3.379 17 HD2 PHE 2 HD2 PHE 2 8.623 -0.953 2.412 18 HE1 PHE 2 HE1 PHE 2 8.602 3.934 1.574 19 HE2 PHE 2 HE2 PHE 2 7.215 -0.014 0.599 20 HZ PHE 2 HZ PHE 2 7.202 2.431 0.183 21 H CYS 3 HN CYS 3 8.969 -2.687 2.561 22 HA CYS 3 HA CYS 3 11.145 -2.618 0.580 23 HB2 CYS 3 HB2 CYS 3 10.437 -4.863 2.187 24 HB3 CYS 3 HB1 CYS 3 9.929 -5.202 0.533 25 H VAL 4 HN VAL 4 10.418 -2.173 -1.412 26 HA VAL 4 HA VAL 4 7.538 -2.579 -1.945 27 HB VAL 4 HB VAL 4 7.793 -0.708 -3.598 28 HG11 VAL 4 HG11 VAL 4 7.163 -0.582 -1.014 29 HG12 VAL 4 HG12 VAL 4 7.324 0.880 -1.987 30 HG13 VAL 4 HG13 VAL 4 8.650 0.365 -0.945 31 HG21 VAL 4 HG21 VAL 4 10.532 -0.650 -2.327 32 HG22 VAL 4 HG22 VAL 4 9.832 0.788 -3.071 33 HG23 VAL 4 HG23 VAL 4 10.122 -0.656 -4.042 34 H GLN 5 HN GLN 5 7.016 -3.886 -3.566 35 HA GLN 5 HA GLN 5 7.264 -5.399 -5.286 36 HB2 GLN 5 HB2 GLN 5 9.171 -3.346 -6.414 37 HB3 GLN 5 HB1 GLN 5 8.127 -4.462 -7.298 38 HG2 GLN 5 HG2 GLN 5 7.147 -2.240 -5.481 39 HG3 GLN 5 HG1 GLN 5 7.192 -2.157 -7.243 40 HE21 GLN 5 HE21 GLN 5 5.003 -2.570 -4.876 41 HE22 GLN 5 HE22 GLN 5 3.944 -3.678 -5.616 42 H GLY 6 HN GLY 6 8.565 -6.618 -3.526 43 HA2 GLY 6 HA2 GLY 6 10.325 -8.011 -3.015 44 HA3 GLY 6 HA1 GLY 6 10.736 -7.921 -4.726 45 H DBB 7 HN DBB 7 10.832 -5.724 -1.907 46 HA DBB 7 HA DBB 7 13.593 -5.489 -1.687 47 HB2 DBB 7 HB2 DBB 7 11.342 -3.596 -1.051 48 HG1 DBB 7 HG1 DBB 7 12.790 -1.882 -0.855 49 HG2 DBB 7 HG2 DBB 7 14.108 -2.912 -1.410 50 HG3 DBB 7 HG3 DBB 7 13.721 -2.825 0.307 51 H ALA 8 HN ALA 8 11.454 -3.071 -3.214 52 HA ALA 8 HA ALA 8 13.652 -2.453 -5.094 53 HB1 ALA 8 HB1 ALA 8 11.138 -3.375 -5.728 54 HB2 ALA 8 HB2 ALA 8 12.199 -2.484 -6.819 55 HB3 ALA 8 HB3 ALA 8 10.957 -1.631 -5.904 56 H ASN 9 HN ASN 9 13.156 -1.278 -2.433 57 HA ASN 9 HA ASN 9 12.253 1.440 -3.086 58 HB2 ASN 9 HB2 ASN 9 11.425 0.318 -1.015 59 HB3 ASN 9 HB1 ASN 9 13.082 0.273 -0.418 60 HD21 ASN 9 HD21 ASN 9 11.188 1.695 1.077 61 HD22 ASN 9 HD22 ASN 9 11.482 3.366 0.930 62 H ARG 10 HN ARG 10 13.871 2.492 -4.149 63 HA ARG 10 HA ARG 10 16.612 2.311 -3.096 64 HB2 ARG 10 HB2 ARG 10 15.823 3.829 -5.562 65 HB3 ARG 10 HB1 ARG 10 17.358 3.057 -5.178 66 HG2 ARG 10 HG2 ARG 10 14.779 1.775 -6.060 67 HG3 ARG 10 HG1 ARG 10 16.392 1.590 -6.746 68 HD2 ARG 10 HD2 ARG 10 16.944 0.640 -4.331 69 HD3 ARG 10 HD1 ARG 10 15.210 0.325 -4.303 70 HE ARG 10 HE ARG 10 17.169 -1.110 -5.823 71 HH11 ARG 10 HH11 ARG 10 13.918 0.080 -5.830 72 HH12 ARG 10 HH12 ARG 10 13.325 -1.152 -6.895 73 HH21 ARG 10 HH21 ARG 10 16.398 -2.725 -7.219 74 HH22 ARG 10 HH22 ARG 10 14.729 -2.739 -7.681 75 H PHE 11 HN PHE 11 13.892 4.256 -2.895 76 HA PHE 11 HA PHE 11 15.338 6.769 -2.551 77 HB2 PHE 11 HB2 PHE 11 12.977 7.634 -2.113 78 HB3 PHE 11 HB1 PHE 11 13.281 6.992 -3.729 79 HD1 PHE 11 HD1 PHE 11 11.526 6.472 -0.553 80 HD2 PHE 11 HD2 PHE 11 12.469 4.754 -4.374 81 HE1 PHE 11 HE1 PHE 11 9.756 4.767 -0.225 82 HE2 PHE 11 HE2 PHE 11 10.704 3.050 -4.049 83 HZ PHE 11 HZ PHE 11 9.347 3.053 -1.973 84 H DBB 12 HN DBB 12 13.152 4.708 -0.650 85 HA DBB 12 HA DBB 12 12.631 4.789 1.609 86 HB2 DBB 12 HB2 DBB 12 13.351 6.445 3.028 87 HG1 DBB 12 HG1 DBB 12 15.937 5.903 1.821 88 HG2 DBB 12 HG2 DBB 12 15.561 6.542 3.420 89 HG3 DBB 12 HG3 DBB 12 15.675 7.633 2.039 90 H ILE 13 HN ILE 13 14.038 2.809 0.416 91 HA ILE 13 HA ILE 13 15.438 1.034 0.837 92 HB ILE 13 HB ILE 13 17.120 2.784 2.609 93 HG12 ILE 13 HG12 ILE 13 16.549 4.141 0.623 94 HG13 ILE 13 HG11 ILE 13 18.238 3.637 0.570 95 HG21 ILE 13 HG21 ILE 13 17.321 0.204 1.413 96 HG22 ILE 13 HG22 ILE 13 18.531 1.044 2.383 97 HG23 ILE 13 HG23 ILE 13 18.510 1.243 0.630 98 HD11 ILE 13 HD11 ILE 13 17.770 2.863 -1.502 99 HD12 ILE 13 HD12 ILE 13 16.030 2.955 -1.230 100 HD13 ILE 13 HD13 ILE 13 16.935 1.544 -0.681 101 H ASN 14 HN ASN 14 13.760 2.729 3.176 102 HA ASN 14 HA ASN 14 13.364 0.457 4.833 103 HB2 ASN 14 HB2 ASN 14 15.248 2.604 5.784 104 HB3 ASN 14 HB1 ASN 14 14.290 1.664 6.926 105 HD21 ASN 14 HD21 ASN 14 14.372 -0.837 5.377 106 HD22 ASN 14 HD22 ASN 14 15.964 -1.417 5.476 107 H VAL 15 HN VAL 15 13.179 3.927 4.351 108 HA VAL 15 HA VAL 15 10.435 4.150 4.642 109 HB VAL 15 HB VAL 15 10.679 3.471 6.959 110 HG11 VAL 15 HG11 VAL 15 13.123 4.279 7.030 111 HG12 VAL 15 HG12 VAL 15 12.161 4.522 8.488 112 HG13 VAL 15 HG13 VAL 15 12.461 5.872 7.393 113 HG21 VAL 15 HG21 VAL 15 10.336 6.276 7.592 114 HG22 VAL 15 HG22 VAL 15 9.121 4.999 7.527 115 HG23 VAL 15 HG23 VAL 15 9.541 5.893 6.065 116 H CYS 16 HN CYS 16 10.563 5.690 3.068 117 HA CYS 16 HA CYS 16 12.301 8.014 3.480 118 HB2 CYS 16 HB2 CYS 16 11.107 6.675 1.176 119 HB3 CYS 16 HB1 CYS 16 10.909 8.426 1.122 Start of MODEL 6 1 H1 PHE 1 HT1 PHE 1 13.018 -1.320 6.975 2 H2 PHE 1 HT2 PHE 1 13.635 -2.406 8.126 3 H3 PHE 1 HT3 PHE 1 12.003 -1.937 8.184 4 HA PHE 1 HA PHE 1 13.261 -3.495 5.993 5 HB2 PHE 1 HB2 PHE 1 13.093 -4.840 8.014 6 HB3 PHE 1 HB1 PHE 1 11.427 -4.313 8.266 7 HD1 PHE 1 HD1 PHE 1 13.597 -5.971 5.694 8 HD2 PHE 1 HD2 PHE 1 9.673 -5.589 7.398 9 HE1 PHE 1 HE1 PHE 1 12.788 -7.814 4.245 10 HE2 PHE 1 HE2 PHE 1 8.864 -7.430 5.949 11 HZ PHE 1 HZ PHE 1 10.421 -8.543 4.372 12 H PHE 2 HN PHE 2 12.194 -1.510 4.888 13 HA PHE 2 HA PHE 2 9.313 -2.040 4.487 14 HB2 PHE 2 HB2 PHE 2 9.516 0.192 5.221 15 HB3 PHE 2 HB1 PHE 2 10.959 0.471 4.245 16 HD1 PHE 2 HD1 PHE 2 8.002 -1.357 2.994 17 HD2 PHE 2 HD2 PHE 2 10.094 2.394 3.056 18 HE1 PHE 2 HE1 PHE 2 6.594 -0.540 1.121 19 HE2 PHE 2 HE2 PHE 2 8.687 3.212 1.189 20 HZ PHE 2 HZ PHE 2 6.935 1.747 0.222 21 H CYS 3 HN CYS 3 8.771 -2.964 2.631 22 HA CYS 3 HA CYS 3 10.515 -2.527 0.290 23 HB2 CYS 3 HB2 CYS 3 9.446 -5.055 1.441 24 HB3 CYS 3 HB1 CYS 3 9.487 -4.919 -0.317 25 H VAL 4 HN VAL 4 9.519 -2.033 -1.600 26 HA VAL 4 HA VAL 4 6.588 -1.708 -1.488 27 HB VAL 4 HB VAL 4 7.173 -0.236 -3.594 28 HG11 VAL 4 HG11 VAL 4 6.773 1.494 -2.179 29 HG12 VAL 4 HG12 VAL 4 8.188 1.123 -1.194 30 HG13 VAL 4 HG13 VAL 4 6.673 0.261 -0.922 31 HG21 VAL 4 HG21 VAL 4 9.399 0.713 -3.518 32 HG22 VAL 4 HG22 VAL 4 9.570 -1.043 -3.562 33 HG23 VAL 4 HG23 VAL 4 9.776 -0.174 -2.040 34 H GLN 5 HN GLN 5 8.991 -3.662 -2.805 35 HA GLN 5 HA GLN 5 7.371 -5.406 -4.149 36 HB2 GLN 5 HB2 GLN 5 7.840 -4.685 -6.575 37 HB3 GLN 5 HB1 GLN 5 6.582 -3.816 -5.696 38 HG2 GLN 5 HG2 GLN 5 8.183 -2.031 -5.145 39 HG3 GLN 5 HG1 GLN 5 9.458 -2.901 -5.997 40 HE21 GLN 5 HE21 GLN 5 9.816 -1.689 -7.879 41 HE22 GLN 5 HE22 GLN 5 8.587 -1.198 -8.951 42 H GLY 6 HN GLY 6 9.010 -6.725 -3.259 43 HA2 GLY 6 HA2 GLY 6 10.825 -8.132 -3.534 44 HA3 GLY 6 HA1 GLY 6 11.137 -7.353 -5.082 45 H DBB 7 HN DBB 7 10.814 -5.316 -2.327 46 HA DBB 7 HA DBB 7 13.523 -5.311 -1.448 47 HB2 DBB 7 HB2 DBB 7 11.259 -3.337 -1.155 48 HG1 DBB 7 HG1 DBB 7 13.241 -2.827 0.781 49 HG2 DBB 7 HG2 DBB 7 12.784 -1.785 -0.565 50 HG3 DBB 7 HG3 DBB 7 14.101 -2.942 -0.755 51 H ALA 8 HN ALA 8 11.661 -3.120 -3.547 52 HA ALA 8 HA ALA 8 14.186 -2.310 -4.836 53 HB1 ALA 8 HB1 ALA 8 11.397 -1.835 -5.883 54 HB2 ALA 8 HB2 ALA 8 12.278 -3.331 -6.189 55 HB3 ALA 8 HB3 ALA 8 12.917 -1.796 -6.776 56 H ASN 9 HN ASN 9 13.213 -1.241 -2.283 57 HA ASN 9 HA ASN 9 12.375 1.489 -2.944 58 HB2 ASN 9 HB2 ASN 9 11.281 0.311 -1.066 59 HB3 ASN 9 HB1 ASN 9 12.842 0.169 -0.265 60 HD21 ASN 9 HD21 ASN 9 11.762 1.476 1.500 61 HD22 ASN 9 HD22 ASN 9 11.705 3.168 1.333 62 H ARG 10 HN ARG 10 14.490 1.841 -4.050 63 HA ARG 10 HA ARG 10 16.917 1.904 -2.553 64 HB2 ARG 10 HB2 ARG 10 16.457 3.658 -4.937 65 HB3 ARG 10 HB1 ARG 10 17.894 2.749 -4.480 66 HG2 ARG 10 HG2 ARG 10 15.363 1.748 -5.767 67 HG3 ARG 10 HG1 ARG 10 17.032 1.499 -6.274 68 HD2 ARG 10 HD2 ARG 10 17.172 0.309 -3.881 69 HD3 ARG 10 HD1 ARG 10 15.450 0.080 -4.181 70 HE ARG 10 HE ARG 10 17.551 -1.359 -5.426 71 HH11 ARG 10 HH11 ARG 10 14.554 0.235 -6.094 72 HH12 ARG 10 HH12 ARG 10 14.155 -0.780 -7.439 73 HH21 ARG 10 HH21 ARG 10 17.032 -2.700 -7.183 74 HH22 ARG 10 HH22 ARG 10 15.556 -2.445 -8.054 75 H PHE 11 HN PHE 11 14.490 4.319 -3.392 76 HA PHE 11 HA PHE 11 15.820 6.586 -2.384 77 HB2 PHE 11 HB2 PHE 11 13.501 7.565 -2.311 78 HB3 PHE 11 HB1 PHE 11 13.954 6.859 -3.863 79 HD1 PHE 11 HD1 PHE 11 11.753 6.592 -0.955 80 HD2 PHE 11 HD2 PHE 11 13.106 4.612 -4.516 81 HE1 PHE 11 HE1 PHE 11 9.822 5.043 -0.828 82 HE2 PHE 11 HE2 PHE 11 11.178 3.065 -4.394 83 HZ PHE 11 HZ PHE 11 9.536 3.275 -2.550 84 H DBB 12 HN DBB 12 13.275 4.587 -0.875 85 HA DBB 12 HA DBB 12 12.429 4.688 1.289 86 HB2 DBB 12 HB2 DBB 12 13.033 6.277 2.828 87 HG1 DBB 12 HG1 DBB 12 15.557 7.308 2.219 88 HG2 DBB 12 HG2 DBB 12 15.727 5.565 2.012 89 HG3 DBB 12 HG3 DBB 12 15.158 6.219 3.548 90 H ILE 13 HN ILE 13 14.035 2.694 0.209 91 HA ILE 13 HA ILE 13 15.024 0.741 0.954 92 HB ILE 13 HB ILE 13 16.888 2.792 2.172 93 HG12 ILE 13 HG12 ILE 13 17.253 1.325 -0.436 94 HG13 ILE 13 HG11 ILE 13 16.317 2.820 -0.371 95 HG21 ILE 13 HG21 ILE 13 18.261 0.484 1.318 96 HG22 ILE 13 HG22 ILE 13 16.849 -0.106 2.195 97 HG23 ILE 13 HG23 ILE 13 17.981 0.994 2.983 98 HD11 ILE 13 HD11 ILE 13 18.199 4.022 0.571 99 HD12 ILE 13 HD12 ILE 13 18.729 3.205 -0.900 100 HD13 ILE 13 HD13 ILE 13 19.142 2.534 0.679 101 H ASN 14 HN ASN 14 13.160 2.379 2.862 102 HA ASN 14 HA ASN 14 12.887 0.525 4.895 103 HB2 ASN 14 HB2 ASN 14 15.215 2.097 5.302 104 HB3 ASN 14 HB1 ASN 14 14.017 2.627 6.482 105 HD21 ASN 14 HD21 ASN 14 16.161 0.018 5.600 106 HD22 ASN 14 HD22 ASN 14 15.751 -1.013 6.885 107 H VAL 15 HN VAL 15 12.900 3.994 4.206 108 HA VAL 15 HA VAL 15 10.145 4.354 4.376 109 HB VAL 15 HB VAL 15 10.315 3.777 6.735 110 HG11 VAL 15 HG11 VAL 15 12.097 6.156 7.191 111 HG12 VAL 15 HG12 VAL 15 12.807 4.605 6.745 112 HG13 VAL 15 HG13 VAL 15 11.845 4.743 8.217 113 HG21 VAL 15 HG21 VAL 15 8.915 5.458 7.376 114 HG22 VAL 15 HG22 VAL 15 9.117 6.024 5.718 115 HG23 VAL 15 HG23 VAL 15 10.102 6.711 7.010 116 H CYS 16 HN CYS 16 10.296 5.856 2.790 117 HA CYS 16 HA CYS 16 12.135 8.124 3.174 118 HB2 CYS 16 HB2 CYS 16 11.075 6.703 0.838 119 HB3 CYS 16 HB1 CYS 16 11.025 8.460 0.686 Start of MODEL 7 1 H1 PHE 1 HT1 PHE 1 13.030 -3.197 7.428 2 H2 PHE 1 HT2 PHE 1 12.638 -1.574 7.115 3 H3 PHE 1 HT3 PHE 1 12.709 -2.696 5.841 4 HA PHE 1 HA PHE 1 10.868 -3.941 7.003 5 HB2 PHE 1 HB2 PHE 1 11.097 -2.844 9.179 6 HB3 PHE 1 HB1 PHE 1 10.752 -1.276 8.448 7 HD1 PHE 1 HD1 PHE 1 9.304 -4.696 8.914 8 HD2 PHE 1 HD2 PHE 1 8.534 -0.523 8.244 9 HE1 PHE 1 HE1 PHE 1 6.872 -5.100 9.187 10 HE2 PHE 1 HE2 PHE 1 6.102 -0.928 8.517 11 HZ PHE 1 HZ PHE 1 5.272 -3.217 8.989 12 H PHE 2 HN PHE 2 11.858 -1.433 5.121 13 HA PHE 2 HA PHE 2 9.146 -0.970 4.032 14 HB2 PHE 2 HB2 PHE 2 10.272 1.069 4.908 15 HB3 PHE 2 HB1 PHE 2 11.582 0.803 3.759 16 HD1 PHE 2 HD1 PHE 2 10.545 3.305 3.336 17 HD2 PHE 2 HD2 PHE 2 8.750 -0.418 2.168 18 HE1 PHE 2 HE1 PHE 2 9.252 4.481 1.587 19 HE2 PHE 2 HE2 PHE 2 7.454 0.758 0.411 20 HZ PHE 2 HZ PHE 2 7.705 3.207 0.117 21 H CYS 3 HN CYS 3 9.186 -2.789 2.661 22 HA CYS 3 HA CYS 3 11.182 -2.644 0.490 23 HB2 CYS 3 HB2 CYS 3 10.236 -4.856 2.078 24 HB3 CYS 3 HB1 CYS 3 9.869 -5.134 0.375 25 H VAL 4 HN VAL 4 10.479 -2.241 -1.519 26 HA VAL 4 HA VAL 4 7.572 -2.444 -2.032 27 HB VAL 4 HB VAL 4 7.851 -0.536 -3.593 28 HG11 VAL 4 HG11 VAL 4 7.035 0.147 -1.505 29 HG12 VAL 4 HG12 VAL 4 8.462 1.164 -1.705 30 HG13 VAL 4 HG13 VAL 4 8.535 -0.266 -0.674 31 HG21 VAL 4 HG21 VAL 4 10.110 0.761 -2.949 32 HG22 VAL 4 HG22 VAL 4 10.045 -0.392 -4.282 33 HG23 VAL 4 HG23 VAL 4 10.679 -0.892 -2.714 34 H GLN 5 HN GLN 5 7.006 -3.697 -3.699 35 HA GLN 5 HA GLN 5 7.182 -5.120 -5.498 36 HB2 GLN 5 HB2 GLN 5 9.439 -3.507 -6.600 37 HB3 GLN 5 HB1 GLN 5 8.007 -4.142 -7.413 38 HG2 GLN 5 HG2 GLN 5 8.044 -1.835 -5.442 39 HG3 GLN 5 HG1 GLN 5 7.864 -1.692 -7.190 40 HE21 GLN 5 HE21 GLN 5 5.957 -1.163 -4.769 41 HE22 GLN 5 HE22 GLN 5 4.523 -1.958 -5.233 42 H GLY 6 HN GLY 6 8.387 -6.265 -3.449 43 HA2 GLY 6 HA2 GLY 6 9.912 -7.904 -2.910 44 HA3 GLY 6 HA1 GLY 6 10.357 -7.934 -4.612 45 H DBB 7 HN DBB 7 10.714 -5.737 -1.814 46 HA DBB 7 HA DBB 7 13.462 -5.818 -1.562 47 HB2 DBB 7 HB2 DBB 7 11.470 -3.619 -1.056 48 HG1 DBB 7 HG1 DBB 7 13.149 -2.116 -1.009 49 HG2 DBB 7 HG2 DBB 7 14.345 -3.373 -1.328 50 HG3 DBB 7 HG3 DBB 7 13.847 -3.028 0.328 51 H ALA 8 HN ALA 8 12.215 -2.750 -2.668 52 HA ALA 8 HA ALA 8 14.457 -2.262 -4.344 53 HB1 ALA 8 HB1 ALA 8 13.790 -3.141 -6.291 54 HB2 ALA 8 HB2 ALA 8 12.372 -2.092 -6.258 55 HB3 ALA 8 HB3 ALA 8 12.293 -3.704 -5.546 56 H ASN 9 HN ASN 9 13.362 -0.829 -2.278 57 HA ASN 9 HA ASN 9 11.793 1.332 -3.504 58 HB2 ASN 9 HB2 ASN 9 11.382 2.107 -1.256 59 HB3 ASN 9 HB1 ASN 9 11.086 0.371 -1.293 60 HD21 ASN 9 HD21 ASN 9 11.568 1.176 1.199 61 HD22 ASN 9 HD22 ASN 9 13.170 0.868 1.690 62 H ARG 10 HN ARG 10 14.281 1.268 -4.554 63 HA ARG 10 HA ARG 10 16.329 2.617 -3.226 64 HB2 ARG 10 HB2 ARG 10 15.587 2.129 -6.055 65 HB3 ARG 10 HB1 ARG 10 16.708 3.460 -5.760 66 HG2 ARG 10 HG2 ARG 10 17.764 1.150 -6.112 67 HG3 ARG 10 HG1 ARG 10 18.278 2.031 -4.671 68 HD2 ARG 10 HD2 ARG 10 16.706 0.770 -3.293 69 HD3 ARG 10 HD1 ARG 10 16.077 -0.053 -4.718 70 HE ARG 10 HE ARG 10 18.635 -0.569 -3.399 71 HH11 ARG 10 HH11 ARG 10 16.526 -1.029 -6.102 72 HH12 ARG 10 HH12 ARG 10 17.308 -2.477 -6.642 73 HH21 ARG 10 HH21 ARG 10 19.658 -2.476 -4.095 74 HH22 ARG 10 HH22 ARG 10 19.080 -3.296 -5.506 75 H PHE 11 HN PHE 11 15.228 4.195 -1.956 76 HA PHE 11 HA PHE 11 15.469 6.808 -2.716 77 HB2 PHE 11 HB2 PHE 11 13.084 7.474 -3.176 78 HB3 PHE 11 HB1 PHE 11 13.827 6.520 -4.461 79 HD1 PHE 11 HD1 PHE 11 12.097 5.853 -1.196 80 HD2 PHE 11 HD2 PHE 11 12.474 4.847 -5.354 81 HE1 PHE 11 HE1 PHE 11 10.327 4.139 -0.938 82 HE2 PHE 11 HE2 PHE 11 10.700 3.132 -5.099 83 HZ PHE 11 HZ PHE 11 9.627 2.777 -2.891 84 H DBB 12 HN DBB 12 14.644 4.463 -0.604 85 HA DBB 12 HA DBB 12 12.806 5.302 1.202 86 HB2 DBB 12 HB2 DBB 12 14.502 6.480 2.856 87 HG1 DBB 12 HG1 DBB 12 16.304 7.503 1.920 88 HG2 DBB 12 HG2 DBB 12 15.415 7.937 0.461 89 HG3 DBB 12 HG3 DBB 12 16.092 6.318 0.632 90 H ILE 13 HN ILE 13 14.284 3.001 0.332 91 HA ILE 13 HA ILE 13 14.874 0.988 1.277 92 HB ILE 13 HB ILE 13 16.938 2.123 3.012 93 HG12 ILE 13 HG12 ILE 13 16.835 4.010 1.477 94 HG13 ILE 13 HG11 ILE 13 18.252 3.042 1.075 95 HG21 ILE 13 HG21 ILE 13 17.175 0.510 0.464 96 HG22 ILE 13 HG22 ILE 13 16.762 -0.213 2.019 97 HG23 ILE 13 HG23 ILE 13 18.319 0.587 1.804 98 HD11 ILE 13 HD11 ILE 13 15.805 2.194 -0.318 99 HD12 ILE 13 HD12 ILE 13 17.424 2.476 -0.959 100 HD13 ILE 13 HD13 ILE 13 16.321 3.831 -0.719 101 H ASN 14 HN ASN 14 15.822 2.928 4.094 102 HA ASN 14 HA ASN 14 14.842 1.173 5.999 103 HB2 ASN 14 HB2 ASN 14 15.220 4.166 6.087 104 HB3 ASN 14 HB1 ASN 14 14.750 3.226 7.502 105 HD21 ASN 14 HD21 ASN 14 16.437 0.873 6.510 106 HD22 ASN 14 HD22 ASN 14 18.032 1.323 6.868 107 H VAL 15 HN VAL 15 13.276 4.322 5.449 108 HA VAL 15 HA VAL 15 10.680 3.119 5.059 109 HB VAL 15 HB VAL 15 10.917 4.850 7.501 110 HG11 VAL 15 HG11 VAL 15 8.938 3.009 7.894 111 HG12 VAL 15 HG12 VAL 15 8.900 3.172 6.138 112 HG13 VAL 15 HG13 VAL 15 8.679 4.592 7.162 113 HG21 VAL 15 HG21 VAL 15 11.096 2.841 8.885 114 HG22 VAL 15 HG22 VAL 15 12.472 2.913 7.785 115 HG23 VAL 15 HG23 VAL 15 11.129 1.821 7.447 116 H CYS 16 HN CYS 16 11.612 4.604 3.193 117 HA CYS 16 HA CYS 16 10.113 7.084 3.377 118 HB2 CYS 16 HB2 CYS 16 11.831 8.496 3.638 119 HB3 CYS 16 HB1 CYS 16 12.882 7.107 3.900 Start of MODEL 8 1 H1 PHE 1 HT1 PHE 1 11.945 -1.458 7.571 2 H2 PHE 1 HT2 PHE 1 13.286 -2.234 6.873 3 H3 PHE 1 HT3 PHE 1 12.869 -2.545 8.490 4 HA PHE 1 HA PHE 1 12.220 -4.222 6.626 5 HB2 PHE 1 HB2 PHE 1 10.265 -4.865 7.994 6 HB3 PHE 1 HB1 PHE 1 11.637 -4.429 9.013 7 HD1 PHE 1 HD1 PHE 1 8.332 -3.359 7.765 8 HD2 PHE 1 HD2 PHE 1 11.632 -2.393 10.340 9 HE1 PHE 1 HE1 PHE 1 6.963 -1.607 8.863 10 HE2 PHE 1 HE2 PHE 1 10.261 -0.641 11.439 11 HZ PHE 1 HZ PHE 1 7.927 -0.248 10.699 12 H PHE 2 HN PHE 2 11.977 -1.774 5.238 13 HA PHE 2 HA PHE 2 9.143 -1.825 4.389 14 HB2 PHE 2 HB2 PHE 2 9.601 0.361 5.178 15 HB3 PHE 2 HB1 PHE 2 11.182 0.397 4.398 16 HD1 PHE 2 HD1 PHE 2 8.037 -0.890 2.897 17 HD2 PHE 2 HD2 PHE 2 10.908 2.304 2.977 18 HE1 PHE 2 HE1 PHE 2 7.012 0.082 0.860 19 HE2 PHE 2 HE2 PHE 2 9.883 3.276 0.938 20 HZ PHE 2 HZ PHE 2 7.935 2.165 -0.120 21 H CYS 3 HN CYS 3 8.777 -2.697 2.461 22 HA CYS 3 HA CYS 3 10.762 -2.379 0.324 23 HB2 CYS 3 HB2 CYS 3 10.032 -4.918 1.641 24 HB3 CYS 3 HB1 CYS 3 9.997 -4.951 -0.122 25 H VAL 4 HN VAL 4 9.502 -1.200 -1.027 26 HA VAL 4 HA VAL 4 6.708 -1.513 -1.349 27 HB VAL 4 HB VAL 4 7.286 -0.302 -3.615 28 HG11 VAL 4 HG11 VAL 4 8.071 1.650 -1.745 29 HG12 VAL 4 HG12 VAL 4 7.034 0.536 -0.852 30 HG13 VAL 4 HG13 VAL 4 6.432 1.324 -2.310 31 HG21 VAL 4 HG21 VAL 4 9.781 0.402 -2.098 32 HG22 VAL 4 HG22 VAL 4 9.442 0.566 -3.820 33 HG23 VAL 4 HG23 VAL 4 9.781 -1.024 -3.136 34 H GLN 5 HN GLN 5 9.475 -2.757 -3.192 35 HA GLN 5 HA GLN 5 7.730 -4.850 -4.285 36 HB2 GLN 5 HB2 GLN 5 9.575 -3.160 -5.989 37 HB3 GLN 5 HB1 GLN 5 8.612 -4.529 -6.544 38 HG2 GLN 5 HG2 GLN 5 7.466 -2.015 -5.296 39 HG3 GLN 5 HG1 GLN 5 7.529 -2.332 -7.028 40 HE21 GLN 5 HE21 GLN 5 5.289 -2.286 -4.732 41 HE22 GLN 5 HE22 GLN 5 4.349 -3.637 -5.153 42 H GLY 6 HN GLY 6 8.693 -6.538 -3.281 43 HA2 GLY 6 HA2 GLY 6 10.371 -7.942 -2.509 44 HA3 GLY 6 HA1 GLY 6 10.910 -7.818 -4.181 45 H DBB 7 HN DBB 7 10.865 -4.903 -2.369 46 HA DBB 7 HA DBB 7 13.670 -5.137 -1.567 47 HB2 DBB 7 HB2 DBB 7 11.526 -3.072 -1.066 48 HG1 DBB 7 HG1 DBB 7 13.353 -1.649 -1.189 49 HG2 DBB 7 HG2 DBB 7 14.502 -2.918 -0.765 50 HG3 DBB 7 HG3 DBB 7 13.495 -2.186 0.484 51 H ALA 8 HN ALA 8 11.613 -3.056 -3.597 52 HA ALA 8 HA ALA 8 14.024 -2.345 -5.148 53 HB1 ALA 8 HB1 ALA 8 11.537 -3.350 -5.971 54 HB2 ALA 8 HB2 ALA 8 12.816 -2.706 -7.001 55 HB3 ALA 8 HB3 ALA 8 11.527 -1.646 -6.428 56 H ASN 9 HN ASN 9 13.595 -0.966 -2.775 57 HA ASN 9 HA ASN 9 12.087 1.421 -3.099 58 HB2 ASN 9 HB2 ASN 9 14.340 0.633 -1.254 59 HB3 ASN 9 HB1 ASN 9 13.597 2.231 -1.201 60 HD21 ASN 9 HD21 ASN 9 12.807 1.633 1.016 61 HD22 ASN 9 HD22 ASN 9 11.434 0.647 1.167 62 H ARG 10 HN ARG 10 15.582 1.472 -2.577 63 HA ARG 10 HA ARG 10 17.280 2.588 -3.658 64 HB2 ARG 10 HB2 ARG 10 15.231 2.524 -5.869 65 HB3 ARG 10 HB1 ARG 10 16.783 3.341 -6.061 66 HG2 ARG 10 HG2 ARG 10 17.282 1.199 -6.847 67 HG3 ARG 10 HG1 ARG 10 17.768 1.079 -5.156 68 HD2 ARG 10 HD2 ARG 10 15.573 0.104 -4.592 69 HD3 ARG 10 HD1 ARG 10 15.089 0.219 -6.281 70 HE ARG 10 HE ARG 10 16.432 -1.632 -6.750 71 HH11 ARG 10 HH11 ARG 10 17.033 -0.378 -3.582 72 HH12 ARG 10 HH12 ARG 10 18.007 -1.721 -3.084 73 HH21 ARG 10 HH21 ARG 10 17.708 -3.397 -6.105 74 HH22 ARG 10 HH22 ARG 10 18.389 -3.431 -4.513 75 H PHE 11 HN PHE 11 14.712 3.867 -2.342 76 HA PHE 11 HA PHE 11 15.679 6.600 -2.663 77 HB2 PHE 11 HB2 PHE 11 13.419 7.485 -3.128 78 HB3 PHE 11 HB1 PHE 11 13.990 6.437 -4.426 79 HD1 PHE 11 HD1 PHE 11 11.814 6.571 -1.412 80 HD2 PHE 11 HD2 PHE 11 12.866 4.403 -4.968 81 HE1 PHE 11 HE1 PHE 11 9.833 5.111 -1.109 82 HE2 PHE 11 HE2 PHE 11 10.885 2.944 -4.665 83 HZ PHE 11 HZ PHE 11 9.368 3.298 -2.735 84 H DBB 12 HN DBB 12 14.130 4.112 -0.921 85 HA DBB 12 HA DBB 12 12.667 5.356 1.045 86 HB2 DBB 12 HB2 DBB 12 14.728 5.341 2.791 87 HG1 DBB 12 HG1 DBB 12 16.071 5.041 0.424 88 HG2 DBB 12 HG2 DBB 12 16.762 5.790 1.864 89 HG3 DBB 12 HG3 DBB 12 16.065 6.797 0.594 90 H ILE 13 HN ILE 13 15.501 3.232 0.746 91 HA ILE 13 HA ILE 13 14.315 0.791 0.970 92 HB ILE 13 HB ILE 13 16.842 1.276 2.512 93 HG12 ILE 13 HG12 ILE 13 17.807 1.000 0.018 94 HG13 ILE 13 HG11 ILE 13 16.311 1.851 -0.367 95 HG21 ILE 13 HG21 ILE 13 17.402 -0.881 1.763 96 HG22 ILE 13 HG22 ILE 13 16.282 -0.801 0.403 97 HG23 ILE 13 HG23 ILE 13 15.665 -1.002 2.042 98 HD11 ILE 13 HD11 ILE 13 18.698 2.802 1.136 99 HD12 ILE 13 HD12 ILE 13 17.125 3.359 1.705 100 HD13 ILE 13 HD13 ILE 13 17.629 3.686 0.047 101 H ASN 14 HN ASN 14 14.669 3.163 3.467 102 HA ASN 14 HA ASN 14 13.449 1.277 5.393 103 HB2 ASN 14 HB2 ASN 14 14.621 2.422 7.190 104 HB3 ASN 14 HB1 ASN 14 15.788 1.857 5.995 105 HD21 ASN 14 HD21 ASN 14 16.820 3.849 7.454 106 HD22 ASN 14 HD22 ASN 14 16.763 5.343 6.651 107 H VAL 15 HN VAL 15 11.419 2.101 4.452 108 HA VAL 15 HA VAL 15 9.642 3.581 4.314 109 HB VAL 15 HB VAL 15 10.410 4.289 7.141 110 HG11 VAL 15 HG11 VAL 15 8.381 5.270 5.902 111 HG12 VAL 15 HG12 VAL 15 8.062 4.504 7.459 112 HG13 VAL 15 HG13 VAL 15 7.703 3.642 5.962 113 HG21 VAL 15 HG21 VAL 15 9.613 2.199 7.919 114 HG22 VAL 15 HG22 VAL 15 10.644 1.777 6.551 115 HG23 VAL 15 HG23 VAL 15 8.890 1.798 6.361 116 H CYS 16 HN CYS 16 11.036 4.923 2.826 117 HA CYS 16 HA CYS 16 10.929 7.674 3.703 118 HB2 CYS 16 HB2 CYS 16 13.094 8.017 4.159 119 HB3 CYS 16 HB1 CYS 16 13.374 6.283 3.998 Start of MODEL 9 1 H1 PHE 1 HT1 PHE 1 11.580 -1.354 8.178 2 H2 PHE 1 HT2 PHE 1 13.103 -2.000 8.564 3 H3 PHE 1 HT3 PHE 1 11.696 -2.672 9.239 4 HA PHE 1 HA PHE 1 12.918 -3.141 6.674 5 HB2 PHE 1 HB2 PHE 1 12.608 -4.900 8.347 6 HB3 PHE 1 HB1 PHE 1 10.871 -4.598 8.373 7 HD1 PHE 1 HD1 PHE 1 13.661 -5.511 6.049 8 HD2 PHE 1 HD2 PHE 1 9.454 -5.736 6.886 9 HE1 PHE 1 HE1 PHE 1 13.362 -7.053 4.130 10 HE2 PHE 1 HE2 PHE 1 9.155 -7.277 4.966 11 HZ PHE 1 HZ PHE 1 11.109 -7.936 3.588 12 H PHE 2 HN PHE 2 12.081 -1.660 5.198 13 HA PHE 2 HA PHE 2 9.197 -1.971 4.621 14 HB2 PHE 2 HB2 PHE 2 9.474 0.241 5.522 15 HB3 PHE 2 HB1 PHE 2 10.881 0.538 4.502 16 HD1 PHE 2 HD1 PHE 2 7.851 -1.255 3.368 17 HD2 PHE 2 HD2 PHE 2 10.005 2.460 3.330 18 HE1 PHE 2 HE1 PHE 2 6.369 -0.413 1.564 19 HE2 PHE 2 HE2 PHE 2 8.522 3.302 1.530 20 HZ PHE 2 HZ PHE 2 6.704 1.867 0.649 21 H CYS 3 HN CYS 3 9.661 -3.579 3.064 22 HA CYS 3 HA CYS 3 11.293 -2.739 0.768 23 HB2 CYS 3 HB2 CYS 3 10.804 -5.259 2.067 24 HB3 CYS 3 HB1 CYS 3 10.314 -5.361 0.377 25 H VAL 4 HN VAL 4 10.406 -2.198 -1.133 26 HA VAL 4 HA VAL 4 7.525 -2.746 -1.513 27 HB VAL 4 HB VAL 4 7.477 -0.634 -2.857 28 HG11 VAL 4 HG11 VAL 4 8.449 0.318 -0.249 29 HG12 VAL 4 HG12 VAL 4 7.278 -0.997 -0.137 30 HG13 VAL 4 HG13 VAL 4 6.856 0.490 -0.987 31 HG21 VAL 4 HG21 VAL 4 9.467 0.936 -2.145 32 HG22 VAL 4 HG22 VAL 4 9.685 -0.186 -3.489 33 HG23 VAL 4 HG23 VAL 4 10.326 -0.583 -1.895 34 H GLN 5 HN GLN 5 7.007 -3.841 -3.292 35 HA GLN 5 HA GLN 5 7.297 -5.088 -5.212 36 HB2 GLN 5 HB2 GLN 5 8.915 -2.785 -6.262 37 HB3 GLN 5 HB1 GLN 5 7.726 -3.782 -7.100 38 HG2 GLN 5 HG2 GLN 5 7.081 -1.851 -4.853 39 HG3 GLN 5 HG1 GLN 5 6.851 -1.510 -6.567 40 HE21 GLN 5 HE21 GLN 5 5.050 -2.278 -3.979 41 HE22 GLN 5 HE22 GLN 5 3.873 -3.279 -4.696 42 H GLY 6 HN GLY 6 8.888 -6.338 -3.711 43 HA2 GLY 6 HA2 GLY 6 10.820 -7.583 -3.564 44 HA3 GLY 6 HA1 GLY 6 11.095 -7.163 -5.252 45 H DBB 7 HN DBB 7 11.282 -5.686 -2.005 46 HA DBB 7 HA DBB 7 13.925 -5.093 -1.855 47 HB2 DBB 7 HB2 DBB 7 11.531 -3.501 -0.966 48 HG1 DBB 7 HG1 DBB 7 14.222 -2.529 -1.277 49 HG2 DBB 7 HG2 DBB 7 13.847 -2.658 0.442 50 HG3 DBB 7 HG3 DBB 7 12.820 -1.689 -0.614 51 H ALA 8 HN ALA 8 11.480 -2.973 -3.361 52 HA ALA 8 HA ALA 8 13.617 -1.848 -5.055 53 HB1 ALA 8 HB1 ALA 8 12.159 -2.297 -6.703 54 HB2 ALA 8 HB2 ALA 8 11.159 -0.995 -6.060 55 HB3 ALA 8 HB3 ALA 8 10.873 -2.658 -5.553 56 H ASN 9 HN ASN 9 12.606 -1.118 -2.224 57 HA ASN 9 HA ASN 9 11.389 1.428 -2.356 58 HB2 ASN 9 HB2 ASN 9 11.576 -0.060 -0.316 59 HB3 ASN 9 HB1 ASN 9 13.247 0.480 -0.183 60 HD21 ASN 9 HD21 ASN 9 11.832 1.200 1.979 61 HD22 ASN 9 HD22 ASN 9 11.352 2.833 1.921 62 H ARG 10 HN ARG 10 14.743 0.389 -2.515 63 HA ARG 10 HA ARG 10 16.701 1.666 -2.592 64 HB2 ARG 10 HB2 ARG 10 14.900 2.308 -4.856 65 HB3 ARG 10 HB1 ARG 10 16.320 3.335 -4.656 66 HG2 ARG 10 HG2 ARG 10 17.163 1.616 -5.996 67 HG3 ARG 10 HG1 ARG 10 17.588 1.053 -4.379 68 HD2 ARG 10 HD2 ARG 10 15.554 -0.333 -4.319 69 HD3 ARG 10 HD1 ARG 10 15.112 0.236 -5.926 70 HE ARG 10 HE ARG 10 17.726 -1.047 -5.690 71 HH11 ARG 10 HH11 ARG 10 14.365 -1.257 -6.484 72 HH12 ARG 10 HH12 ARG 10 14.540 -2.685 -7.448 73 HH21 ARG 10 HH21 ARG 10 17.963 -2.923 -6.949 74 HH22 ARG 10 HH22 ARG 10 16.577 -3.628 -7.713 75 H PHE 11 HN PHE 11 14.805 4.325 -3.831 76 HA PHE 11 HA PHE 11 15.945 6.394 -2.586 77 HB2 PHE 11 HB2 PHE 11 13.686 7.511 -2.517 78 HB3 PHE 11 HB1 PHE 11 14.093 6.776 -4.068 79 HD1 PHE 11 HD1 PHE 11 12.010 6.493 -1.038 80 HD2 PHE 11 HD2 PHE 11 12.982 4.753 -4.842 81 HE1 PHE 11 HE1 PHE 11 9.990 5.063 -0.900 82 HE2 PHE 11 HE2 PHE 11 10.965 3.319 -4.702 83 HZ PHE 11 HZ PHE 11 9.471 3.472 -2.729 84 H DBB 12 HN DBB 12 13.333 4.483 -1.084 85 HA DBB 12 HA DBB 12 12.483 4.606 1.078 86 HB2 DBB 12 HB2 DBB 12 13.138 6.166 2.629 87 HG1 DBB 12 HG1 DBB 12 15.257 6.076 3.352 88 HG2 DBB 12 HG2 DBB 12 15.692 7.123 2.001 89 HG3 DBB 12 HG3 DBB 12 15.806 5.372 1.830 90 H ILE 13 HN ILE 13 13.861 2.480 0.089 91 HA ILE 13 HA ILE 13 14.755 0.498 0.856 92 HB ILE 13 HB ILE 13 16.772 2.548 1.771 93 HG12 ILE 13 HG12 ILE 13 17.294 0.440 -0.264 94 HG13 ILE 13 HG11 ILE 13 16.154 1.709 -0.710 95 HG21 ILE 13 HG21 ILE 13 17.291 0.811 3.246 96 HG22 ILE 13 HG22 ILE 13 18.250 0.372 1.831 97 HG23 ILE 13 HG23 ILE 13 16.711 -0.432 2.137 98 HD11 ILE 13 HD11 ILE 13 17.886 3.389 0.075 99 HD12 ILE 13 HD12 ILE 13 18.324 2.483 -1.373 100 HD13 ILE 13 HD13 ILE 13 19.024 2.045 0.185 101 H ASN 14 HN ASN 14 13.120 2.406 2.803 102 HA ASN 14 HA ASN 14 12.726 0.553 4.846 103 HB2 ASN 14 HB2 ASN 14 13.850 1.847 6.734 104 HB3 ASN 14 HB1 ASN 14 14.917 0.922 5.680 105 HD21 ASN 14 HD21 ASN 14 16.771 2.310 5.946 106 HD22 ASN 14 HD22 ASN 14 16.798 3.904 5.363 107 H VAL 15 HN VAL 15 12.902 3.997 4.074 108 HA VAL 15 HA VAL 15 10.190 4.521 4.299 109 HB VAL 15 HB VAL 15 10.301 3.962 6.648 110 HG11 VAL 15 HG11 VAL 15 12.912 5.026 6.436 111 HG12 VAL 15 HG12 VAL 15 12.158 4.326 7.868 112 HG13 VAL 15 HG13 VAL 15 12.053 6.063 7.575 113 HG21 VAL 15 HG21 VAL 15 10.409 6.958 6.717 114 HG22 VAL 15 HG22 VAL 15 9.240 5.865 7.458 115 HG23 VAL 15 HG23 VAL 15 9.175 6.181 5.724 116 H CYS 16 HN CYS 16 10.454 5.984 2.683 117 HA CYS 16 HA CYS 16 12.445 8.114 3.024 118 HB2 CYS 16 HB2 CYS 16 11.166 6.796 0.739 119 HB3 CYS 16 HB1 CYS 16 11.266 8.552 0.587 Start of MODEL 10 1 H1 PHE 1 HT1 PHE 1 13.831 -4.950 6.250 2 H2 PHE 1 HT2 PHE 1 13.728 -3.487 5.392 3 H3 PHE 1 HT3 PHE 1 12.718 -4.790 4.981 4 HA PHE 1 HA PHE 1 11.822 -4.622 7.342 5 HB2 PHE 1 HB2 PHE 1 13.716 -3.073 8.015 6 HB3 PHE 1 HB1 PHE 1 12.950 -1.828 7.030 7 HD1 PHE 1 HD1 PHE 1 12.737 -3.809 10.106 8 HD2 PHE 1 HD2 PHE 1 10.732 -0.925 7.634 9 HE1 PHE 1 HE1 PHE 1 11.186 -3.289 11.969 10 HE2 PHE 1 HE2 PHE 1 9.182 -0.404 9.498 11 HZ PHE 1 HZ PHE 1 9.409 -1.587 11.667 12 H PHE 2 HN PHE 2 12.189 -1.945 5.004 13 HA PHE 2 HA PHE 2 9.266 -2.061 4.552 14 HB2 PHE 2 HB2 PHE 2 9.696 0.040 5.551 15 HB3 PHE 2 HB1 PHE 2 11.164 0.280 4.604 16 HD1 PHE 2 HD1 PHE 2 7.484 -0.290 4.123 17 HD2 PHE 2 HD2 PHE 2 11.068 1.588 2.687 18 HE1 PHE 2 HE1 PHE 2 6.175 0.861 2.357 19 HE2 PHE 2 HE2 PHE 2 9.764 2.737 0.922 20 HZ PHE 2 HZ PHE 2 7.314 2.376 0.759 21 H CYS 3 HN CYS 3 9.523 -3.595 2.859 22 HA CYS 3 HA CYS 3 10.950 -2.612 0.476 23 HB2 CYS 3 HB2 CYS 3 10.370 -5.291 1.572 24 HB3 CYS 3 HB1 CYS 3 10.190 -5.134 -0.175 25 H VAL 4 HN VAL 4 9.594 -1.350 -0.658 26 HA VAL 4 HA VAL 4 6.786 -1.660 -0.776 27 HB VAL 4 HB VAL 4 7.088 -0.180 -2.880 28 HG11 VAL 4 HG11 VAL 4 7.141 0.310 -0.098 29 HG12 VAL 4 HG12 VAL 4 6.700 1.447 -1.372 30 HG13 VAL 4 HG13 VAL 4 8.367 1.362 -0.801 31 HG21 VAL 4 HG21 VAL 4 9.245 0.751 -3.247 32 HG22 VAL 4 HG22 VAL 4 9.535 -0.979 -3.073 33 HG23 VAL 4 HG23 VAL 4 9.868 0.111 -1.725 34 H GLN 5 HN GLN 5 9.395 -2.707 -2.936 35 HA GLN 5 HA GLN 5 7.542 -4.662 -4.113 36 HB2 GLN 5 HB2 GLN 5 9.313 -3.540 -6.135 37 HB3 GLN 5 HB1 GLN 5 7.568 -3.784 -6.186 38 HG2 GLN 5 HG2 GLN 5 7.283 -1.713 -4.815 39 HG3 GLN 5 HG1 GLN 5 9.020 -1.450 -4.906 40 HE21 GLN 5 HE21 GLN 5 7.526 0.575 -5.970 41 HE22 GLN 5 HE22 GLN 5 7.550 0.525 -7.672 42 H GLY 6 HN GLY 6 8.552 -6.458 -3.355 43 HA2 GLY 6 HA2 GLY 6 10.273 -7.940 -2.860 44 HA3 GLY 6 HA1 GLY 6 10.655 -7.665 -4.558 45 H DBB 7 HN DBB 7 10.828 -4.950 -2.452 46 HA DBB 7 HA DBB 7 13.678 -5.269 -1.909 47 HB2 DBB 7 HB2 DBB 7 11.597 -3.236 -1.126 48 HG1 DBB 7 HG1 DBB 7 13.948 -2.650 0.269 49 HG2 DBB 7 HG2 DBB 7 13.231 -1.681 -1.020 50 HG3 DBB 7 HG3 DBB 7 14.476 -2.873 -1.400 51 H ALA 8 HN ALA 8 11.513 -3.135 -3.740 52 HA ALA 8 HA ALA 8 13.791 -2.374 -5.437 53 HB1 ALA 8 HB1 ALA 8 11.825 -1.428 -6.862 54 HB2 ALA 8 HB2 ALA 8 10.818 -2.451 -5.835 55 HB3 ALA 8 HB3 ALA 8 12.092 -3.171 -6.821 56 H ASN 9 HN ASN 9 13.574 -1.196 -2.864 57 HA ASN 9 HA ASN 9 12.300 1.345 -2.959 58 HB2 ASN 9 HB2 ASN 9 14.176 -0.066 -1.164 59 HB3 ASN 9 HB1 ASN 9 14.235 1.695 -1.107 60 HD21 ASN 9 HD21 ASN 9 12.433 2.811 -0.218 61 HD22 ASN 9 HD22 ASN 9 11.129 2.005 0.517 62 H ARG 10 HN ARG 10 15.683 1.386 -2.188 63 HA ARG 10 HA ARG 10 17.465 2.539 -3.074 64 HB2 ARG 10 HB2 ARG 10 15.820 2.047 -5.544 65 HB3 ARG 10 HB1 ARG 10 17.325 2.967 -5.612 66 HG2 ARG 10 HG2 ARG 10 18.100 0.805 -6.010 67 HG3 ARG 10 HG1 ARG 10 18.281 0.914 -4.257 68 HD2 ARG 10 HD2 ARG 10 16.060 -0.146 -3.974 69 HD3 ARG 10 HD1 ARG 10 15.917 -0.289 -5.724 70 HE ARG 10 HE ARG 10 17.647 -1.875 -3.983 71 HH11 ARG 10 HH11 ARG 10 16.725 -0.882 -7.168 72 HH12 ARG 10 HH12 ARG 10 17.440 -2.251 -7.951 73 HH21 ARG 10 HH21 ARG 10 18.587 -3.672 -5.003 74 HH22 ARG 10 HH22 ARG 10 18.494 -3.832 -6.725 75 H PHE 11 HN PHE 11 15.532 3.998 -1.737 76 HA PHE 11 HA PHE 11 16.106 6.639 -2.372 77 HB2 PHE 11 HB2 PHE 11 14.048 7.444 -3.423 78 HB3 PHE 11 HB1 PHE 11 14.812 6.227 -4.449 79 HD1 PHE 11 HD1 PHE 11 12.299 6.543 -1.687 80 HD2 PHE 11 HD2 PHE 11 13.558 4.394 -5.186 81 HE1 PHE 11 HE1 PHE 11 10.248 5.154 -1.566 82 HE2 PHE 11 HE2 PHE 11 11.510 3.002 -5.069 83 HZ PHE 11 HZ PHE 11 9.855 3.378 -3.260 84 H DBB 12 HN DBB 12 14.572 4.263 -0.651 85 HA DBB 12 HA DBB 12 12.591 5.640 0.800 86 HB2 DBB 12 HB2 DBB 12 14.062 5.656 2.985 87 HG1 DBB 12 HG1 DBB 12 16.123 4.787 2.156 88 HG2 DBB 12 HG2 DBB 12 16.393 6.524 2.297 89 HG3 DBB 12 HG3 DBB 12 16.062 5.808 0.719 90 H ILE 13 HN ILE 13 15.269 3.361 1.191 91 HA ILE 13 HA ILE 13 13.805 1.028 1.137 92 HB ILE 13 HB ILE 13 16.245 1.409 2.875 93 HG12 ILE 13 HG12 ILE 13 17.269 0.636 0.503 94 HG13 ILE 13 HG11 ILE 13 15.900 1.582 -0.083 95 HG21 ILE 13 HG21 ILE 13 14.760 -0.801 2.503 96 HG22 ILE 13 HG22 ILE 13 16.516 -0.873 2.655 97 HG23 ILE 13 HG23 ILE 13 15.766 -0.908 1.058 98 HD11 ILE 13 HD11 ILE 13 18.398 2.515 1.042 99 HD12 ILE 13 HD12 ILE 13 17.040 3.102 2.004 100 HD13 ILE 13 HD13 ILE 13 17.111 3.449 0.276 101 H ASN 14 HN ASN 14 14.757 2.927 3.990 102 HA ASN 14 HA ASN 14 13.522 1.240 5.892 103 HB2 ASN 14 HB2 ASN 14 14.379 4.119 5.887 104 HB3 ASN 14 HB1 ASN 14 13.538 3.426 7.273 105 HD21 ASN 14 HD21 ASN 14 16.455 4.302 6.953 106 HD22 ASN 14 HD22 ASN 14 17.354 2.937 7.415 107 H VAL 15 HN VAL 15 12.386 4.088 4.114 108 HA VAL 15 HA VAL 15 9.796 3.480 3.697 109 HB VAL 15 HB VAL 15 9.392 2.979 6.024 110 HG11 VAL 15 HG11 VAL 15 9.792 4.681 7.777 111 HG12 VAL 15 HG12 VAL 15 10.483 5.755 6.562 112 HG13 VAL 15 HG13 VAL 15 11.289 4.237 6.956 113 HG21 VAL 15 HG21 VAL 15 7.811 4.591 4.598 114 HG22 VAL 15 HG22 VAL 15 8.247 5.734 5.867 115 HG23 VAL 15 HG23 VAL 15 7.456 4.215 6.284 116 H CYS 16 HN CYS 16 12.126 5.342 3.171 117 HA CYS 16 HA CYS 16 10.704 7.919 3.243 118 HB2 CYS 16 HB2 CYS 16 12.715 8.969 3.404 119 HB3 CYS 16 HB1 CYS 16 13.226 7.404 4.037 Start of MODEL 11 1 H1 PHE 1 HT1 PHE 1 9.821 -2.096 8.285 2 H2 PHE 1 HT2 PHE 1 11.355 -2.105 9.015 3 H3 PHE 1 HT3 PHE 1 10.479 -3.552 8.854 4 HA PHE 1 HA PHE 1 12.238 -2.293 7.005 5 HB2 PHE 1 HB2 PHE 1 11.964 -4.758 7.889 6 HB3 PHE 1 HB1 PHE 1 10.789 -4.890 6.579 7 HD1 PHE 1 HD1 PHE 1 14.308 -3.850 7.300 8 HD2 PHE 1 HD2 PHE 1 11.501 -5.243 4.362 9 HE1 PHE 1 HE1 PHE 1 16.154 -4.130 5.669 10 HE2 PHE 1 HE2 PHE 1 13.348 -5.522 2.730 11 HZ PHE 1 HZ PHE 1 15.674 -4.966 3.384 12 H PHE 2 HN PHE 2 11.724 -1.193 5.213 13 HA PHE 2 HA PHE 2 8.973 -1.445 4.157 14 HB2 PHE 2 HB2 PHE 2 9.413 0.806 4.904 15 HB3 PHE 2 HB1 PHE 2 10.942 0.842 4.026 16 HD1 PHE 2 HD1 PHE 2 8.135 -0.875 2.468 17 HD2 PHE 2 HD2 PHE 2 10.153 2.896 2.855 18 HE1 PHE 2 HE1 PHE 2 6.967 -0.042 0.444 19 HE2 PHE 2 HE2 PHE 2 8.986 3.729 0.837 20 HZ PHE 2 HZ PHE 2 7.390 2.264 -0.369 21 H CYS 3 HN CYS 3 8.937 -2.759 2.440 22 HA CYS 3 HA CYS 3 11.077 -2.445 0.427 23 HB2 CYS 3 HB2 CYS 3 10.279 -4.817 1.864 24 HB3 CYS 3 HB1 CYS 3 9.996 -5.029 0.137 25 H VAL 4 HN VAL 4 10.406 -2.054 -1.601 26 HA VAL 4 HA VAL 4 7.518 -2.335 -2.160 27 HB VAL 4 HB VAL 4 7.963 -0.530 -3.896 28 HG11 VAL 4 HG11 VAL 4 7.198 -0.364 -1.302 29 HG12 VAL 4 HG12 VAL 4 7.319 1.042 -2.361 30 HG13 VAL 4 HG13 VAL 4 8.639 0.650 -1.262 31 HG21 VAL 4 HG21 VAL 4 9.981 0.893 -3.361 32 HG22 VAL 4 HG22 VAL 4 10.378 -0.683 -4.046 33 HG23 VAL 4 HG23 VAL 4 10.548 -0.405 -2.311 34 H GLN 5 HN GLN 5 7.273 -4.169 -3.284 35 HA GLN 5 HA GLN 5 7.317 -5.505 -5.173 36 HB2 GLN 5 HB2 GLN 5 9.572 -3.765 -6.186 37 HB3 GLN 5 HB1 GLN 5 8.523 -4.827 -7.125 38 HG2 GLN 5 HG2 GLN 5 7.601 -2.387 -5.578 39 HG3 GLN 5 HG1 GLN 5 7.824 -2.459 -7.326 40 HE21 GLN 5 HE21 GLN 5 5.419 -2.558 -5.080 41 HE22 GLN 5 HE22 GLN 5 4.310 -3.572 -5.882 42 H GLY 6 HN GLY 6 8.561 -6.330 -2.892 43 HA2 GLY 6 HA2 GLY 6 9.976 -8.027 -2.219 44 HA3 GLY 6 HA1 GLY 6 10.477 -8.205 -3.898 45 H DBB 7 HN DBB 7 10.677 -5.098 -2.363 46 HA DBB 7 HA DBB 7 13.537 -5.431 -1.786 47 HB2 DBB 7 HB2 DBB 7 11.523 -3.282 -1.142 48 HG1 DBB 7 HG1 DBB 7 14.272 -2.888 -1.643 49 HG2 DBB 7 HG2 DBB 7 14.102 -2.910 0.112 50 HG3 DBB 7 HG3 DBB 7 13.166 -1.767 -0.850 51 H ALA 8 HN ALA 8 11.823 -2.569 -2.962 52 HA ALA 8 HA ALA 8 13.949 -2.130 -4.926 53 HB1 ALA 8 HB1 ALA 8 11.221 -1.697 -5.982 54 HB2 ALA 8 HB2 ALA 8 11.709 -3.381 -5.797 55 HB3 ALA 8 HB3 ALA 8 12.666 -2.291 -6.799 56 H ASN 9 HN ASN 9 13.240 -0.816 -2.456 57 HA ASN 9 HA ASN 9 11.698 1.512 -2.886 58 HB2 ASN 9 HB2 ASN 9 13.702 0.635 -0.866 59 HB3 ASN 9 HB1 ASN 9 13.343 2.355 -0.968 60 HD21 ASN 9 HD21 ASN 9 12.610 0.936 1.355 61 HD22 ASN 9 HD22 ASN 9 10.914 0.805 1.416 62 H ARG 10 HN ARG 10 15.220 1.459 -2.405 63 HA ARG 10 HA ARG 10 16.925 2.543 -3.504 64 HB2 ARG 10 HB2 ARG 10 14.729 2.922 -5.496 65 HB3 ARG 10 HB1 ARG 10 16.181 3.907 -5.637 66 HG2 ARG 10 HG2 ARG 10 16.390 1.827 -6.945 67 HG3 ARG 10 HG1 ARG 10 17.564 1.867 -5.628 68 HD2 ARG 10 HD2 ARG 10 16.142 0.451 -4.255 69 HD3 ARG 10 HD1 ARG 10 14.869 0.493 -5.472 70 HE ARG 10 HE ARG 10 16.145 -0.978 -6.812 71 HH11 ARG 10 HH11 ARG 10 17.758 -0.021 -3.902 72 HH12 ARG 10 HH12 ARG 10 18.974 -1.249 -4.012 73 HH21 ARG 10 HH21 ARG 10 17.744 -2.573 -6.973 74 HH22 ARG 10 HH22 ARG 10 18.966 -2.695 -5.752 75 H PHE 11 HN PHE 11 13.957 4.122 -2.661 76 HA PHE 11 HA PHE 11 15.333 6.719 -2.417 77 HB2 PHE 11 HB2 PHE 11 12.979 7.573 -1.996 78 HB3 PHE 11 HB1 PHE 11 13.278 6.934 -3.614 79 HD1 PHE 11 HD1 PHE 11 11.519 6.427 -0.444 80 HD2 PHE 11 HD2 PHE 11 12.462 4.708 -4.255 81 HE1 PHE 11 HE1 PHE 11 9.736 4.733 -0.120 82 HE2 PHE 11 HE2 PHE 11 10.688 3.012 -3.938 83 HZ PHE 11 HZ PHE 11 9.324 3.019 -1.868 84 H DBB 12 HN DBB 12 13.136 4.612 -0.567 85 HA DBB 12 HA DBB 12 12.602 4.671 1.699 86 HB2 DBB 12 HB2 DBB 12 13.346 6.289 3.142 87 HG1 DBB 12 HG1 DBB 12 15.701 7.437 2.147 88 HG2 DBB 12 HG2 DBB 12 15.917 5.697 1.970 89 HG3 DBB 12 HG3 DBB 12 15.538 6.382 3.550 90 H ILE 13 HN ILE 13 14.347 2.881 0.283 91 HA ILE 13 HA ILE 13 15.546 0.997 0.842 92 HB ILE 13 HB ILE 13 17.379 2.852 2.347 93 HG12 ILE 13 HG12 ILE 13 16.812 4.068 0.329 94 HG13 ILE 13 HG11 ILE 13 18.400 3.341 0.089 95 HG21 ILE 13 HG21 ILE 13 18.754 1.176 0.575 96 HG22 ILE 13 HG22 ILE 13 17.460 0.171 1.226 97 HG23 ILE 13 HG23 ILE 13 18.602 0.956 2.318 98 HD11 ILE 13 HD11 ILE 13 17.579 2.388 -1.774 99 HD12 ILE 13 HD12 ILE 13 15.939 2.898 -1.373 100 HD13 ILE 13 HD13 ILE 13 16.572 1.381 -0.733 101 H ASN 14 HN ASN 14 13.616 2.296 2.913 102 HA ASN 14 HA ASN 14 13.632 0.273 4.817 103 HB2 ASN 14 HB2 ASN 14 15.851 1.419 5.406 104 HB3 ASN 14 HB1 ASN 14 14.869 2.756 6.000 105 HD21 ASN 14 HD21 ASN 14 15.274 2.440 8.258 106 HD22 ASN 14 HD22 ASN 14 14.772 1.050 9.093 107 H VAL 15 HN VAL 15 13.122 3.731 4.304 108 HA VAL 15 HA VAL 15 10.380 3.756 4.496 109 HB VAL 15 HB VAL 15 10.427 4.865 6.961 110 HG11 VAL 15 HG11 VAL 15 8.883 3.255 7.221 111 HG12 VAL 15 HG12 VAL 15 10.143 2.023 7.292 112 HG13 VAL 15 HG13 VAL 15 9.463 2.500 5.737 113 HG21 VAL 15 HG21 VAL 15 12.051 2.463 7.546 114 HG22 VAL 15 HG22 VAL 15 12.045 4.037 8.343 115 HG23 VAL 15 HG23 VAL 15 12.944 3.811 6.841 116 H CYS 16 HN CYS 16 10.806 5.358 2.935 117 HA CYS 16 HA CYS 16 12.275 7.745 3.641 118 HB2 CYS 16 HB2 CYS 16 11.069 6.597 1.230 119 HB3 CYS 16 HB1 CYS 16 10.906 8.349 1.336 Start of MODEL 12 1 H1 PHE 1 HT1 PHE 1 11.249 -1.906 5.946 2 H2 PHE 1 HT2 PHE 1 11.411 -3.403 5.161 3 H3 PHE 1 HT3 PHE 1 11.769 -3.266 6.816 4 HA PHE 1 HA PHE 1 9.600 -4.336 6.369 5 HB2 PHE 1 HB2 PHE 1 10.030 -3.218 8.509 6 HB3 PHE 1 HB1 PHE 1 9.579 -1.665 7.807 7 HD1 PHE 1 HD1 PHE 1 8.265 -5.109 8.448 8 HD2 PHE 1 HD2 PHE 1 7.333 -0.965 7.807 9 HE1 PHE 1 HE1 PHE 1 5.884 -5.565 8.966 10 HE2 PHE 1 HE2 PHE 1 4.951 -1.421 8.325 11 HZ PHE 1 HZ PHE 1 4.226 -3.721 8.905 12 H PHE 2 HN PHE 2 9.827 -0.906 5.457 13 HA PHE 2 HA PHE 2 7.219 -0.792 4.281 14 HB2 PHE 2 HB2 PHE 2 8.104 1.286 4.965 15 HB3 PHE 2 HB1 PHE 2 9.647 0.986 4.167 16 HD1 PHE 2 HD1 PHE 2 6.001 1.466 3.473 17 HD2 PHE 2 HD2 PHE 2 10.015 1.696 1.958 18 HE1 PHE 2 HE1 PHE 2 5.161 2.549 1.406 19 HE2 PHE 2 HE2 PHE 2 9.175 2.780 -0.107 20 HZ PHE 2 HZ PHE 2 6.747 3.208 -0.383 21 H CYS 3 HN CYS 3 10.322 -1.859 3.233 22 HA CYS 3 HA CYS 3 10.811 -1.626 0.729 23 HB2 CYS 3 HB2 CYS 3 10.414 -4.140 2.246 24 HB3 CYS 3 HB1 CYS 3 10.552 -4.291 0.494 25 H VAL 4 HN VAL 4 9.510 -0.861 -0.804 26 HA VAL 4 HA VAL 4 6.794 -1.546 -1.125 27 HB VAL 4 HB VAL 4 7.173 -0.513 -3.457 28 HG11 VAL 4 HG11 VAL 4 6.216 0.961 -1.943 29 HG12 VAL 4 HG12 VAL 4 7.765 1.761 -2.208 30 HG13 VAL 4 HG13 VAL 4 7.521 0.766 -0.772 31 HG21 VAL 4 HG21 VAL 4 9.796 0.290 -2.181 32 HG22 VAL 4 HG22 VAL 4 9.263 0.574 -3.838 33 HG23 VAL 4 HG23 VAL 4 9.680 -1.057 -3.314 34 H GLN 5 HN GLN 5 9.739 -2.723 -2.717 35 HA GLN 5 HA GLN 5 8.202 -5.062 -3.638 36 HB2 GLN 5 HB2 GLN 5 10.271 -4.062 -5.506 37 HB3 GLN 5 HB1 GLN 5 8.709 -4.803 -5.844 38 HG2 GLN 5 HG2 GLN 5 7.596 -2.683 -5.134 39 HG3 GLN 5 HG1 GLN 5 9.184 -1.950 -4.936 40 HE21 GLN 5 HE21 GLN 5 7.955 -0.516 -6.723 41 HE22 GLN 5 HE22 GLN 5 8.287 -0.963 -8.333 42 H GLY 6 HN GLY 6 9.252 -6.152 -1.879 43 HA2 GLY 6 HA2 GLY 6 10.935 -7.374 -0.879 44 HA3 GLY 6 HA1 GLY 6 11.488 -7.647 -2.530 45 H DBB 7 HN DBB 7 11.305 -4.394 -1.462 46 HA DBB 7 HA DBB 7 14.141 -4.305 -0.705 47 HB2 DBB 7 HB2 DBB 7 11.907 -2.274 -0.533 48 HG1 DBB 7 HG1 DBB 7 14.811 -2.064 0.309 49 HG2 DBB 7 HG2 DBB 7 13.550 -0.897 0.715 50 HG3 DBB 7 HG3 DBB 7 14.033 -1.127 -0.967 51 H ALA 8 HN ALA 8 11.853 -2.915 -3.034 52 HA ALA 8 HA ALA 8 14.146 -2.231 -4.762 53 HB1 ALA 8 HB1 ALA 8 11.300 -2.418 -5.697 54 HB2 ALA 8 HB2 ALA 8 12.283 -3.871 -5.504 55 HB3 ALA 8 HB3 ALA 8 12.787 -2.608 -6.627 56 H ASN 9 HN ASN 9 13.751 -0.371 -2.824 57 HA ASN 9 HA ASN 9 12.492 1.824 -4.337 58 HB2 ASN 9 HB2 ASN 9 12.101 2.754 -1.886 59 HB3 ASN 9 HB1 ASN 9 10.933 1.691 -2.667 60 HD21 ASN 9 HD21 ASN 9 12.189 2.107 0.275 61 HD22 ASN 9 HD22 ASN 9 12.340 0.494 0.795 62 H ARG 10 HN ARG 10 14.175 2.993 -5.041 63 HA ARG 10 HA ARG 10 16.685 3.183 -3.732 64 HB2 ARG 10 HB2 ARG 10 15.376 4.830 -5.895 65 HB3 ARG 10 HB1 ARG 10 17.003 5.163 -5.303 66 HG2 ARG 10 HG2 ARG 10 17.342 3.738 -7.162 67 HG3 ARG 10 HG1 ARG 10 17.482 2.671 -5.765 68 HD2 ARG 10 HD2 ARG 10 15.152 1.966 -6.043 69 HD3 ARG 10 HD1 ARG 10 14.964 3.071 -7.403 70 HE ARG 10 HE ARG 10 17.118 1.439 -8.037 71 HH11 ARG 10 HH11 ARG 10 13.764 1.097 -7.262 72 HH12 ARG 10 HH12 ARG 10 13.544 -0.324 -8.228 73 HH21 ARG 10 HH21 ARG 10 16.838 -0.420 -9.308 74 HH22 ARG 10 HH22 ARG 10 15.285 -1.182 -9.388 75 H PHE 11 HN PHE 11 13.807 5.231 -3.738 76 HA PHE 11 HA PHE 11 14.865 7.439 -2.359 77 HB2 PHE 11 HB2 PHE 11 12.467 7.861 -1.726 78 HB3 PHE 11 HB1 PHE 11 12.732 7.616 -3.454 79 HD1 PHE 11 HD1 PHE 11 11.304 6.197 -0.380 80 HD2 PHE 11 HD2 PHE 11 12.080 5.520 -4.550 81 HE1 PHE 11 HE1 PHE 11 9.742 4.271 -0.359 82 HE2 PHE 11 HE2 PHE 11 10.518 3.597 -4.529 83 HZ PHE 11 HZ PHE 11 9.351 2.969 -2.434 84 H DBB 12 HN DBB 12 13.170 4.566 -1.144 85 HA DBB 12 HA DBB 12 12.710 3.936 1.047 86 HB2 DBB 12 HB2 DBB 12 13.244 5.196 2.907 87 HG1 DBB 12 HG1 DBB 12 15.780 5.620 1.507 88 HG2 DBB 12 HG2 DBB 12 15.448 5.550 3.237 89 HG3 DBB 12 HG3 DBB 12 15.208 7.058 2.354 90 H ILE 13 HN ILE 13 14.122 2.416 -0.448 91 HA ILE 13 HA ILE 13 15.794 0.842 -0.577 92 HB ILE 13 HB ILE 13 17.358 2.563 1.356 93 HG12 ILE 13 HG12 ILE 13 18.236 2.955 -1.303 94 HG13 ILE 13 HG11 ILE 13 16.481 3.124 -1.343 95 HG21 ILE 13 HG21 ILE 13 19.273 1.443 0.425 96 HG22 ILE 13 HG22 ILE 13 18.297 0.700 -0.841 97 HG23 ILE 13 HG23 ILE 13 18.104 0.189 0.837 98 HD11 ILE 13 HD11 ILE 13 18.305 5.069 -0.515 99 HD12 ILE 13 HD12 ILE 13 17.627 4.440 0.987 100 HD13 ILE 13 HD13 ILE 13 16.561 5.096 -0.256 101 H ASN 14 HN ASN 14 15.216 2.157 2.666 102 HA ASN 14 HA ASN 14 15.074 -0.619 3.669 103 HB2 ASN 14 HB2 ASN 14 15.986 0.124 5.791 104 HB3 ASN 14 HB1 ASN 14 17.100 0.565 4.499 105 HD21 ASN 14 HD21 ASN 14 17.414 2.045 6.765 106 HD22 ASN 14 HD22 ASN 14 16.743 3.595 6.588 107 H VAL 15 HN VAL 15 13.711 2.558 3.499 108 HA VAL 15 HA VAL 15 11.121 2.062 3.881 109 HB VAL 15 HB VAL 15 11.365 0.852 5.907 110 HG11 VAL 15 HG11 VAL 15 13.610 2.583 6.260 111 HG12 VAL 15 HG12 VAL 15 13.174 1.163 7.211 112 HG13 VAL 15 HG13 VAL 15 12.570 2.754 7.673 113 HG21 VAL 15 HG21 VAL 15 9.800 3.061 5.756 114 HG22 VAL 15 HG22 VAL 15 10.768 3.470 7.174 115 HG23 VAL 15 HG23 VAL 15 9.815 1.985 7.155 116 H CYS 16 HN CYS 16 10.900 3.970 2.779 117 HA CYS 16 HA CYS 16 11.977 6.441 3.879 118 HB2 CYS 16 HB2 CYS 16 10.840 5.552 1.315 119 HB3 CYS 16 HB1 CYS 16 10.371 7.186 1.787 Start of MODEL 13 1 H1 PHE 1 HT1 PHE 1 9.539 -4.101 7.927 2 H2 PHE 1 HT2 PHE 1 10.414 -2.674 7.634 3 H3 PHE 1 HT3 PHE 1 11.206 -4.052 8.237 4 HA PHE 1 HA PHE 1 11.765 -4.004 5.982 5 HB2 PHE 1 HB2 PHE 1 9.403 -5.843 6.457 6 HB3 PHE 1 HB1 PHE 1 10.472 -5.960 5.060 7 HD1 PHE 1 HD1 PHE 1 10.094 -6.603 8.628 8 HD2 PHE 1 HD2 PHE 1 12.899 -6.472 5.376 9 HE1 PHE 1 HE1 PHE 1 11.718 -7.905 9.976 10 HE2 PHE 1 HE2 PHE 1 14.522 -7.774 6.725 11 HZ PHE 1 HZ PHE 1 13.932 -8.491 9.025 12 H PHE 2 HN PHE 2 11.085 -1.792 5.373 13 HA PHE 2 HA PHE 2 8.511 -1.165 4.409 14 HB2 PHE 2 HB2 PHE 2 10.233 0.542 4.900 15 HB3 PHE 2 HB1 PHE 2 11.188 -0.036 3.538 16 HD1 PHE 2 HD1 PHE 2 10.790 2.613 3.139 17 HD2 PHE 2 HD2 PHE 2 7.825 -0.450 2.647 18 HE1 PHE 2 HE1 PHE 2 9.514 4.091 1.613 19 HE2 PHE 2 HE2 PHE 2 6.556 1.017 1.106 20 HZ PHE 2 HZ PHE 2 7.400 3.294 0.595 21 H CYS 3 HN CYS 3 11.437 -2.274 2.719 22 HA CYS 3 HA CYS 3 11.406 -2.412 0.266 23 HB2 CYS 3 HB2 CYS 3 11.184 -4.760 1.996 24 HB3 CYS 3 HB1 CYS 3 10.677 -5.080 0.338 25 H VAL 4 HN VAL 4 9.777 -1.295 -0.758 26 HA VAL 4 HA VAL 4 7.034 -1.897 -0.618 27 HB VAL 4 HB VAL 4 6.859 -0.571 -2.710 28 HG11 VAL 4 HG11 VAL 4 8.595 0.407 -0.441 29 HG12 VAL 4 HG12 VAL 4 6.886 0.733 -0.732 30 HG13 VAL 4 HG13 VAL 4 8.113 1.477 -1.758 31 HG21 VAL 4 HG21 VAL 4 8.943 0.367 -3.668 32 HG22 VAL 4 HG22 VAL 4 8.912 -1.391 -3.799 33 HG23 VAL 4 HG23 VAL 4 9.891 -0.617 -2.554 34 H GLN 5 HN GLN 5 9.519 -2.918 -2.961 35 HA GLN 5 HA GLN 5 7.828 -5.221 -3.641 36 HB2 GLN 5 HB2 GLN 5 9.081 -3.482 -5.770 37 HB3 GLN 5 HB1 GLN 5 7.974 -4.837 -6.000 38 HG2 GLN 5 HG2 GLN 5 7.264 -2.296 -4.504 39 HG3 GLN 5 HG1 GLN 5 6.862 -2.592 -6.195 40 HE21 GLN 5 HE21 GLN 5 5.130 -2.374 -3.628 41 HE22 GLN 5 HE22 GLN 5 4.152 -3.767 -3.693 42 H GLY 6 HN GLY 6 9.114 -6.901 -3.168 43 HA2 GLY 6 HA2 GLY 6 11.068 -8.120 -2.822 44 HA3 GLY 6 HA1 GLY 6 11.259 -7.795 -4.542 45 H DBB 7 HN DBB 7 11.242 -5.122 -2.367 46 HA DBB 7 HA DBB 7 14.118 -5.020 -2.000 47 HB2 DBB 7 HB2 DBB 7 11.800 -3.264 -1.234 48 HG1 DBB 7 HG1 DBB 7 14.702 -2.573 -1.407 49 HG2 DBB 7 HG2 DBB 7 13.833 -2.058 0.040 50 HG3 DBB 7 HG3 DBB 7 13.290 -1.524 -1.551 51 H ALA 8 HN ALA 8 11.653 -3.174 -3.779 52 HA ALA 8 HA ALA 8 13.712 -2.334 -5.697 53 HB1 ALA 8 HB1 ALA 8 10.742 -2.635 -5.773 54 HB2 ALA 8 HB2 ALA 8 11.956 -3.170 -6.936 55 HB3 ALA 8 HB3 ALA 8 11.497 -1.469 -6.859 56 H ASN 9 HN ASN 9 12.315 -1.171 -2.933 57 HA ASN 9 HA ASN 9 11.423 1.334 -3.155 58 HB2 ASN 9 HB2 ASN 9 12.060 0.252 -1.011 59 HB3 ASN 9 HB1 ASN 9 13.751 0.611 -1.360 60 HD21 ASN 9 HD21 ASN 9 11.709 1.681 0.746 61 HD22 ASN 9 HD22 ASN 9 11.892 3.371 0.632 62 H ARG 10 HN ARG 10 14.902 1.256 -2.540 63 HA ARG 10 HA ARG 10 16.640 2.464 -3.442 64 HB2 ARG 10 HB2 ARG 10 14.845 1.981 -5.784 65 HB3 ARG 10 HB1 ARG 10 16.225 3.066 -5.971 66 HG2 ARG 10 HG2 ARG 10 16.873 0.771 -6.558 67 HG3 ARG 10 HG1 ARG 10 17.715 1.281 -5.092 68 HD2 ARG 10 HD2 ARG 10 16.113 0.095 -3.702 69 HD3 ARG 10 HD1 ARG 10 15.139 -0.316 -5.109 70 HE ARG 10 HE ARG 10 17.401 -1.479 -5.812 71 HH11 ARG 10 HH11 ARG 10 15.937 -1.266 -2.679 72 HH12 ARG 10 HH12 ARG 10 16.585 -2.772 -2.125 73 HH21 ARG 10 HH21 ARG 10 18.233 -3.464 -5.095 74 HH22 ARG 10 HH22 ARG 10 17.882 -4.018 -3.492 75 H PHE 11 HN PHE 11 15.058 3.944 -1.865 76 HA PHE 11 HA PHE 11 15.582 6.582 -2.517 77 HB2 PHE 11 HB2 PHE 11 13.359 7.446 -3.171 78 HB3 PHE 11 HB1 PHE 11 14.002 6.326 -4.375 79 HD1 PHE 11 HD1 PHE 11 12.092 6.102 -1.145 80 HD2 PHE 11 HD2 PHE 11 12.476 4.787 -5.217 81 HE1 PHE 11 HE1 PHE 11 10.119 4.636 -0.853 82 HE2 PHE 11 HE2 PHE 11 10.496 3.323 -4.927 83 HZ PHE 11 HZ PHE 11 9.319 3.244 -2.747 84 H DBB 12 HN DBB 12 14.612 4.265 -0.503 85 HA DBB 12 HA DBB 12 12.802 5.628 1.235 86 HB2 DBB 12 HB2 DBB 12 14.556 5.725 3.128 87 HG1 DBB 12 HG1 DBB 12 16.168 4.844 0.934 88 HG2 DBB 12 HG2 DBB 12 16.677 5.185 2.587 89 HG3 DBB 12 HG3 DBB 12 16.694 6.468 1.377 90 H ILE 13 HN ILE 13 15.448 3.287 1.093 91 HA ILE 13 HA ILE 13 14.050 0.973 1.332 92 HB ILE 13 HB ILE 13 16.539 1.210 2.969 93 HG12 ILE 13 HG12 ILE 13 17.189 2.656 1.204 94 HG13 ILE 13 HG11 ILE 13 17.765 1.072 0.688 95 HG21 ILE 13 HG21 ILE 13 15.826 -0.700 0.737 96 HG22 ILE 13 HG22 ILE 13 15.255 -0.943 2.389 97 HG23 ILE 13 HG23 ILE 13 16.985 -0.938 2.045 98 HD11 ILE 13 HD11 ILE 13 16.584 1.354 -1.212 99 HD12 ILE 13 HD12 ILE 13 15.810 2.808 -0.578 100 HD13 ILE 13 HD13 ILE 13 15.116 1.221 -0.242 101 H ASN 14 HN ASN 14 15.386 2.777 4.108 102 HA ASN 14 HA ASN 14 14.105 1.194 6.080 103 HB2 ASN 14 HB2 ASN 14 15.332 3.941 6.081 104 HB3 ASN 14 HB1 ASN 14 14.533 3.297 7.514 105 HD21 ASN 14 HD21 ASN 14 17.342 3.816 7.542 106 HD22 ASN 14 HD22 ASN 14 18.162 2.331 7.626 107 H VAL 15 HN VAL 15 13.219 4.204 4.454 108 HA VAL 15 HA VAL 15 10.558 3.983 4.232 109 HB VAL 15 HB VAL 15 10.175 3.418 6.515 110 HG11 VAL 15 HG11 VAL 15 11.027 5.471 8.125 111 HG12 VAL 15 HG12 VAL 15 12.325 5.394 6.933 112 HG13 VAL 15 HG13 VAL 15 11.912 3.965 7.881 113 HG21 VAL 15 HG21 VAL 15 8.532 4.957 6.965 114 HG22 VAL 15 HG22 VAL 15 8.945 5.527 5.349 115 HG23 VAL 15 HG23 VAL 15 9.621 6.330 6.767 116 H CYS 16 HN CYS 16 11.972 5.405 2.714 117 HA CYS 16 HA CYS 16 11.224 8.164 3.256 118 HB2 CYS 16 HB2 CYS 16 13.308 9.091 3.361 119 HB3 CYS 16 HB1 CYS 16 13.699 7.513 4.045 Start of MODEL 14 1 H1 PHE 1 HT1 PHE 1 11.738 -2.847 5.901 2 H2 PHE 1 HT2 PHE 1 11.511 -3.415 7.486 3 H3 PHE 1 HT3 PHE 1 10.903 -1.895 7.028 4 HA PHE 1 HA PHE 1 10.005 -4.486 5.892 5 HB2 PHE 1 HB2 PHE 1 8.792 -2.676 8.001 6 HB3 PHE 1 HB1 PHE 1 7.914 -3.980 7.201 7 HD1 PHE 1 HD1 PHE 1 10.343 -3.123 9.758 8 HD2 PHE 1 HD2 PHE 1 8.745 -6.352 7.419 9 HE1 PHE 1 HE1 PHE 1 11.317 -4.757 11.348 10 HE2 PHE 1 HE2 PHE 1 9.720 -7.987 9.010 11 HZ PHE 1 HZ PHE 1 11.005 -7.189 10.975 12 H PHE 2 HN PHE 2 10.528 -1.230 5.442 13 HA PHE 2 HA PHE 2 8.152 -0.320 4.241 14 HB2 PHE 2 HB2 PHE 2 10.061 1.137 4.886 15 HB3 PHE 2 HB1 PHE 2 10.986 0.472 3.539 16 HD1 PHE 2 HD1 PHE 2 8.446 2.848 4.540 17 HD2 PHE 2 HD2 PHE 2 10.092 0.735 1.182 18 HE1 PHE 2 HE1 PHE 2 7.370 4.463 2.996 19 HE2 PHE 2 HE2 PHE 2 9.015 2.348 -0.363 20 HZ PHE 2 HZ PHE 2 7.654 4.214 0.545 21 H CYS 3 HN CYS 3 11.009 -1.911 2.854 22 HA CYS 3 HA CYS 3 11.110 -2.058 0.364 23 HB2 CYS 3 HB2 CYS 3 10.406 -4.367 2.097 24 HB3 CYS 3 HB1 CYS 3 10.362 -4.620 0.353 25 H VAL 4 HN VAL 4 9.775 -1.139 -1.058 26 HA VAL 4 HA VAL 4 6.952 -1.329 -1.015 27 HB VAL 4 HB VAL 4 7.161 -0.463 -3.397 28 HG11 VAL 4 HG11 VAL 4 7.510 0.775 -0.934 29 HG12 VAL 4 HG12 VAL 4 7.238 1.599 -2.469 30 HG13 VAL 4 HG13 VAL 4 8.881 1.354 -1.878 31 HG21 VAL 4 HG21 VAL 4 10.101 -0.448 -2.638 32 HG22 VAL 4 HG22 VAL 4 9.405 0.223 -4.112 33 HG23 VAL 4 HG23 VAL 4 9.375 -1.519 -3.836 34 H GLN 5 HN GLN 5 9.449 -3.089 -2.803 35 HA GLN 5 HA GLN 5 7.702 -5.359 -3.129 36 HB2 GLN 5 HB2 GLN 5 8.292 -5.182 -5.744 37 HB3 GLN 5 HB1 GLN 5 6.805 -4.525 -5.059 38 HG2 GLN 5 HG2 GLN 5 7.900 -2.324 -4.798 39 HG3 GLN 5 HG1 GLN 5 9.378 -2.982 -5.500 40 HE21 GLN 5 HE21 GLN 5 8.426 -0.882 -6.906 41 HE22 GLN 5 HE22 GLN 5 7.608 -1.381 -8.316 42 H GLY 6 HN GLY 6 9.196 -6.717 -2.276 43 HA2 GLY 6 HA2 GLY 6 11.112 -7.978 -2.094 44 HA3 GLY 6 HA1 GLY 6 11.256 -7.767 -3.837 45 H DBB 7 HN DBB 7 11.375 -5.298 -1.291 46 HA DBB 7 HA DBB 7 14.130 -4.990 -1.056 47 HB2 DBB 7 HB2 DBB 7 11.908 -2.963 -0.866 48 HG1 DBB 7 HG1 DBB 7 14.799 -2.694 0.007 49 HG2 DBB 7 HG2 DBB 7 13.525 -1.499 0.250 50 HG3 DBB 7 HG3 DBB 7 14.085 -1.874 -1.381 51 H ALA 8 HN ALA 8 12.133 -2.649 -2.846 52 HA ALA 8 HA ALA 8 14.385 -2.265 -4.707 53 HB1 ALA 8 HB1 ALA 8 12.940 -3.736 -5.922 54 HB2 ALA 8 HB2 ALA 8 12.679 -2.117 -6.571 55 HB3 ALA 8 HB3 ALA 8 11.508 -2.817 -5.453 56 H ASN 9 HN ASN 9 13.482 -0.687 -2.462 57 HA ASN 9 HA ASN 9 12.335 1.677 -3.800 58 HB2 ASN 9 HB2 ASN 9 11.773 2.480 -1.573 59 HB3 ASN 9 HB1 ASN 9 11.141 0.849 -1.792 60 HD21 ASN 9 HD21 ASN 9 11.582 1.797 0.828 61 HD22 ASN 9 HD22 ASN 9 12.908 0.968 1.504 62 H ARG 10 HN ARG 10 14.087 2.659 -4.721 63 HA ARG 10 HA ARG 10 16.640 2.894 -3.501 64 HB2 ARG 10 HB2 ARG 10 15.638 4.903 -5.485 65 HB3 ARG 10 HB1 ARG 10 17.236 4.168 -5.346 66 HG2 ARG 10 HG2 ARG 10 14.698 2.893 -6.385 67 HG3 ARG 10 HG1 ARG 10 16.213 3.147 -7.250 68 HD2 ARG 10 HD2 ARG 10 17.325 1.620 -5.574 69 HD3 ARG 10 HD1 ARG 10 15.721 1.252 -4.941 70 HE ARG 10 HE ARG 10 15.337 -0.071 -6.809 71 HH11 ARG 10 HH11 ARG 10 18.072 1.998 -7.277 72 HH12 ARG 10 HH12 ARG 10 18.557 1.250 -8.763 73 HH21 ARG 10 HH21 ARG 10 15.967 -1.055 -8.757 74 HH22 ARG 10 HH22 ARG 10 17.366 -0.477 -9.600 75 H PHE 11 HN PHE 11 13.795 4.992 -3.586 76 HA PHE 11 HA PHE 11 14.931 7.259 -2.368 77 HB2 PHE 11 HB2 PHE 11 12.517 7.703 -1.647 78 HB3 PHE 11 HB1 PHE 11 12.795 7.518 -3.380 79 HD1 PHE 11 HD1 PHE 11 11.250 6.077 -0.400 80 HD2 PHE 11 HD2 PHE 11 12.205 5.394 -4.528 81 HE1 PHE 11 HE1 PHE 11 9.659 4.178 -0.448 82 HE2 PHE 11 HE2 PHE 11 10.612 3.498 -4.585 83 HZ PHE 11 HZ PHE 11 9.349 2.883 -2.548 84 H DBB 12 HN DBB 12 13.038 4.608 -0.899 85 HA DBB 12 HA DBB 12 12.694 4.147 1.351 86 HB2 DBB 12 HB2 DBB 12 13.322 5.610 3.021 87 HG1 DBB 12 HG1 DBB 12 15.833 5.590 1.600 88 HG2 DBB 12 HG2 DBB 12 15.521 6.015 3.284 89 HG3 DBB 12 HG3 DBB 12 15.386 7.242 2.025 90 H ILE 13 HN ILE 13 14.242 2.618 -0.231 91 HA ILE 13 HA ILE 13 15.738 0.888 -0.095 92 HB ILE 13 HB ILE 13 17.483 2.708 1.556 93 HG12 ILE 13 HG12 ILE 13 18.124 2.931 -1.196 94 HG13 ILE 13 HG11 ILE 13 16.385 3.199 -1.064 95 HG21 ILE 13 HG21 ILE 13 19.105 1.473 -0.181 96 HG22 ILE 13 HG22 ILE 13 17.804 0.282 -0.153 97 HG23 ILE 13 HG23 ILE 13 18.631 0.719 1.342 98 HD11 ILE 13 HD11 ILE 13 17.746 4.551 1.093 99 HD12 ILE 13 HD12 ILE 13 16.717 5.234 -0.167 100 HD13 ILE 13 HD13 ILE 13 18.447 5.033 -0.452 101 H ASN 14 HN ASN 14 13.940 1.873 2.347 102 HA ASN 14 HA ASN 14 13.899 -0.374 3.872 103 HB2 ASN 14 HB2 ASN 14 15.849 -0.503 4.971 104 HB3 ASN 14 HB1 ASN 14 16.364 1.056 4.334 105 HD21 ASN 14 HD21 ASN 14 16.644 2.647 5.902 106 HD22 ASN 14 HD22 ASN 14 15.886 2.658 7.420 107 H VAL 15 HN VAL 15 13.534 3.001 3.553 108 HA VAL 15 HA VAL 15 11.303 2.960 5.439 109 HB VAL 15 HB VAL 15 12.061 5.129 6.432 110 HG11 VAL 15 HG11 VAL 15 13.509 2.532 6.778 111 HG12 VAL 15 HG12 VAL 15 12.432 3.369 7.895 112 HG13 VAL 15 HG13 VAL 15 14.084 3.942 7.666 113 HG21 VAL 15 HG21 VAL 15 14.826 4.984 6.068 114 HG22 VAL 15 HG22 VAL 15 13.747 6.172 5.336 115 HG23 VAL 15 HG23 VAL 15 14.171 4.704 4.455 116 H CYS 16 HN CYS 16 12.066 6.102 4.918 117 HA CYS 16 HA CYS 16 10.164 7.260 3.721 118 HB2 CYS 16 HB2 CYS 16 11.550 8.750 2.658 119 HB3 CYS 16 HB1 CYS 16 12.747 7.909 3.643 Start of MODEL 15 1 H1 PHE 1 HT1 PHE 1 12.982 -2.652 5.574 2 H2 PHE 1 HT2 PHE 1 13.573 -3.611 6.846 3 H3 PHE 1 HT3 PHE 1 13.007 -2.039 7.154 4 HA PHE 1 HA PHE 1 11.513 -4.507 6.704 5 HB2 PHE 1 HB2 PHE 1 11.090 -1.995 8.351 6 HB3 PHE 1 HB1 PHE 1 10.025 -3.401 8.370 7 HD1 PHE 1 HD1 PHE 1 13.128 -1.973 9.582 8 HD2 PHE 1 HD2 PHE 1 10.948 -5.642 9.096 9 HE1 PHE 1 HE1 PHE 1 14.608 -3.073 11.240 10 HE2 PHE 1 HE2 PHE 1 12.429 -6.742 10.754 11 HZ PHE 1 HZ PHE 1 14.260 -5.457 11.826 12 H PHE 2 HN PHE 2 11.905 -1.465 5.259 13 HA PHE 2 HA PHE 2 9.138 -1.397 4.254 14 HB2 PHE 2 HB2 PHE 2 9.847 0.734 5.070 15 HB3 PHE 2 HB1 PHE 2 11.379 0.629 4.204 16 HD1 PHE 2 HD1 PHE 2 8.165 -0.474 2.762 17 HD2 PHE 2 HD2 PHE 2 11.093 2.659 2.927 18 HE1 PHE 2 HE1 PHE 2 7.129 0.599 0.781 19 HE2 PHE 2 HE2 PHE 2 10.062 3.734 0.946 20 HZ PHE 2 HZ PHE 2 8.077 2.703 -0.129 21 H CYS 3 HN CYS 3 9.343 -3.187 2.828 22 HA CYS 3 HA CYS 3 11.193 -2.808 0.568 23 HB2 CYS 3 HB2 CYS 3 10.238 -5.114 2.010 24 HB3 CYS 3 HB1 CYS 3 9.833 -5.263 0.301 25 H VAL 4 HN VAL 4 10.468 -2.324 -1.422 26 HA VAL 4 HA VAL 4 7.542 -2.339 -1.856 27 HB VAL 4 HB VAL 4 7.971 -0.450 -3.452 28 HG11 VAL 4 HG11 VAL 4 7.583 1.018 -1.759 29 HG12 VAL 4 HG12 VAL 4 9.069 0.580 -0.917 30 HG13 VAL 4 HG13 VAL 4 7.623 -0.412 -0.730 31 HG21 VAL 4 HG21 VAL 4 10.133 -0.157 -4.055 32 HG22 VAL 4 HG22 VAL 4 10.715 -1.125 -2.702 33 HG23 VAL 4 HG23 VAL 4 10.365 0.588 -2.474 34 H GLN 5 HN GLN 5 6.825 -3.546 -3.494 35 HA GLN 5 HA GLN 5 6.949 -5.180 -5.138 36 HB2 GLN 5 HB2 GLN 5 8.194 -4.103 -7.216 37 HB3 GLN 5 HB1 GLN 5 6.633 -3.489 -6.673 38 HG2 GLN 5 HG2 GLN 5 7.790 -1.774 -5.312 39 HG3 GLN 5 HG1 GLN 5 9.342 -2.374 -5.894 40 HE21 GLN 5 HE21 GLN 5 8.127 -2.900 -8.641 41 HE22 GLN 5 HE22 GLN 5 8.023 -1.363 -9.359 42 H GLY 6 HN GLY 6 8.458 -6.410 -3.649 43 HA2 GLY 6 HA2 GLY 6 10.267 -7.818 -3.451 44 HA3 GLY 6 HA1 GLY 6 10.593 -7.495 -5.151 45 H DBB 7 HN DBB 7 11.036 -6.196 -1.882 46 HA DBB 7 HA DBB 7 13.607 -5.727 -1.663 47 HB2 DBB 7 HB2 DBB 7 11.396 -3.763 -1.104 48 HG1 DBB 7 HG1 DBB 7 13.706 -3.101 0.402 49 HG2 DBB 7 HG2 DBB 7 12.902 -2.115 -0.819 50 HG3 DBB 7 HG3 DBB 7 14.212 -3.200 -1.285 51 H ALA 8 HN ALA 8 11.557 -3.502 -3.556 52 HA ALA 8 HA ALA 8 13.934 -2.824 -5.167 53 HB1 ALA 8 HB1 ALA 8 11.736 -1.791 -6.489 54 HB2 ALA 8 HB2 ALA 8 11.115 -3.285 -5.788 55 HB3 ALA 8 HB3 ALA 8 12.522 -3.329 -6.850 56 H ASN 9 HN ASN 9 13.106 -1.664 -2.519 57 HA ASN 9 HA ASN 9 12.324 1.063 -3.194 58 HB2 ASN 9 HB2 ASN 9 11.477 -0.114 -1.139 59 HB3 ASN 9 HB1 ASN 9 13.120 -0.064 -0.508 60 HD21 ASN 9 HD21 ASN 9 12.247 1.336 1.261 61 HD22 ASN 9 HD22 ASN 9 11.998 2.991 0.958 62 H ARG 10 HN ARG 10 13.874 2.306 -4.049 63 HA ARG 10 HA ARG 10 16.542 2.271 -2.772 64 HB2 ARG 10 HB2 ARG 10 15.726 2.430 -5.643 65 HB3 ARG 10 HB1 ARG 10 17.191 3.264 -5.126 66 HG2 ARG 10 HG2 ARG 10 17.559 0.888 -5.917 67 HG3 ARG 10 HG1 ARG 10 18.148 1.214 -4.286 68 HD2 ARG 10 HD2 ARG 10 16.444 0.002 -3.280 69 HD3 ARG 10 HD1 ARG 10 15.336 0.239 -4.628 70 HE ARG 10 HE ARG 10 17.176 -1.928 -4.313 71 HH11 ARG 10 HH11 ARG 10 15.718 0.202 -6.616 72 HH12 ARG 10 HH12 ARG 10 15.841 -0.915 -7.934 73 HH21 ARG 10 HH21 ARG 10 17.341 -3.399 -6.036 74 HH22 ARG 10 HH22 ARG 10 16.759 -2.954 -7.606 75 H PHE 11 HN PHE 11 13.916 3.903 -2.503 76 HA PHE 11 HA PHE 11 15.170 6.565 -2.796 77 HB2 PHE 11 HB2 PHE 11 12.775 7.399 -2.808 78 HB3 PHE 11 HB1 PHE 11 13.286 6.505 -4.240 79 HD1 PHE 11 HD1 PHE 11 11.502 6.164 -0.983 80 HD2 PHE 11 HD2 PHE 11 12.229 4.476 -4.861 81 HE1 PHE 11 HE1 PHE 11 9.697 4.517 -0.599 82 HE2 PHE 11 HE2 PHE 11 10.425 2.830 -4.489 83 HZ PHE 11 HZ PHE 11 9.150 2.844 -2.362 84 H DBB 12 HN DBB 12 13.705 4.287 -0.668 85 HA DBB 12 HA DBB 12 12.627 5.657 1.408 86 HB2 DBB 12 HB2 DBB 12 14.845 5.855 2.854 87 HG1 DBB 12 HG1 DBB 12 16.099 7.049 0.505 88 HG2 DBB 12 HG2 DBB 12 15.900 5.306 0.322 89 HG3 DBB 12 HG3 DBB 12 16.791 5.950 1.701 90 H ILE 13 HN ILE 13 15.607 3.712 1.221 91 HA ILE 13 HA ILE 13 14.578 1.210 1.663 92 HB ILE 13 HB ILE 13 17.072 1.902 3.138 93 HG12 ILE 13 HG12 ILE 13 17.392 3.380 1.301 94 HG13 ILE 13 HG11 ILE 13 18.228 1.899 0.832 95 HG21 ILE 13 HG21 ILE 13 15.967 -0.433 2.480 96 HG22 ILE 13 HG22 ILE 13 17.718 -0.220 2.467 97 HG23 ILE 13 HG23 ILE 13 16.807 -0.132 0.958 98 HD11 ILE 13 HD11 ILE 13 16.953 1.828 -1.020 99 HD12 ILE 13 HD12 ILE 13 16.006 3.210 -0.466 100 HD13 ILE 13 HD13 ILE 13 15.544 1.576 0.009 101 H ASN 14 HN ASN 14 15.134 3.757 4.012 102 HA ASN 14 HA ASN 14 14.157 1.996 6.164 103 HB2 ASN 14 HB2 ASN 14 16.299 3.182 6.549 104 HB3 ASN 14 HB1 ASN 14 15.459 4.719 6.353 105 HD21 ASN 14 HD21 ASN 14 16.000 2.026 8.547 106 HD22 ASN 14 HD22 ASN 14 15.129 2.675 9.852 107 H VAL 15 HN VAL 15 12.295 2.884 4.252 108 HA VAL 15 HA VAL 15 10.153 3.729 4.219 109 HB VAL 15 HB VAL 15 10.611 4.653 7.058 110 HG11 VAL 15 HG11 VAL 15 8.487 5.358 6.756 111 HG12 VAL 15 HG12 VAL 15 8.026 3.657 6.682 112 HG13 VAL 15 HG13 VAL 15 8.370 4.544 5.197 113 HG21 VAL 15 HG21 VAL 15 11.120 2.126 6.394 114 HG22 VAL 15 HG22 VAL 15 9.359 2.011 6.401 115 HG23 VAL 15 HG23 VAL 15 10.218 2.511 7.859 116 H CYS 16 HN CYS 16 11.677 5.226 2.840 117 HA CYS 16 HA CYS 16 10.952 7.962 3.573 118 HB2 CYS 16 HB2 CYS 16 13.041 8.743 3.861 119 HB3 CYS 16 HB1 CYS 16 13.519 7.056 4.043 Start of MODEL 16 1 H1 PHE 1 HT1 PHE 1 14.545 -2.413 7.269 2 H2 PHE 1 HT2 PHE 1 13.106 -1.748 7.881 3 H3 PHE 1 HT3 PHE 1 13.551 -1.474 6.265 4 HA PHE 1 HA PHE 1 13.461 -4.009 6.023 5 HB2 PHE 1 HB2 PHE 1 11.824 -3.511 8.528 6 HB3 PHE 1 HB1 PHE 1 11.772 -5.000 7.584 7 HD1 PHE 1 HD1 PHE 1 13.616 -3.063 10.040 8 HD2 PHE 1 HD2 PHE 1 13.865 -6.381 7.322 9 HE1 PHE 1 HE1 PHE 1 15.625 -3.893 11.235 10 HE2 PHE 1 HE2 PHE 1 15.874 -7.210 8.518 11 HZ PHE 1 HZ PHE 1 16.754 -5.965 10.474 12 H PHE 2 HN PHE 2 12.643 -1.571 4.865 13 HA PHE 2 HA PHE 2 9.741 -1.962 4.470 14 HB2 PHE 2 HB2 PHE 2 10.174 0.275 5.187 15 HB3 PHE 2 HB1 PHE 2 11.519 0.443 4.061 16 HD1 PHE 2 HD1 PHE 2 8.153 -1.060 3.463 17 HD2 PHE 2 HD2 PHE 2 10.844 2.180 2.621 18 HE1 PHE 2 HE1 PHE 2 6.598 -0.219 1.723 19 HE2 PHE 2 HE2 PHE 2 9.291 3.021 0.883 20 HZ PHE 2 HZ PHE 2 7.166 1.822 0.433 21 H CYS 3 HN CYS 3 9.137 -2.908 2.639 22 HA CYS 3 HA CYS 3 10.775 -2.484 0.234 23 HB2 CYS 3 HB2 CYS 3 10.126 -5.057 1.547 24 HB3 CYS 3 HB1 CYS 3 9.950 -5.008 -0.208 25 H VAL 4 HN VAL 4 9.466 -1.360 -1.033 26 HA VAL 4 HA VAL 4 6.642 -1.443 -0.953 27 HB VAL 4 HB VAL 4 6.975 -0.316 -3.292 28 HG11 VAL 4 HG11 VAL 4 8.343 1.150 -1.069 29 HG12 VAL 4 HG12 VAL 4 6.674 0.637 -0.823 30 HG13 VAL 4 HG13 VAL 4 7.079 1.710 -2.164 31 HG21 VAL 4 HG21 VAL 4 9.753 0.078 -2.196 32 HG22 VAL 4 HG22 VAL 4 9.161 0.356 -3.835 33 HG23 VAL 4 HG23 VAL 4 9.412 -1.291 -3.255 34 H GLN 5 HN GLN 5 9.012 -3.039 -3.068 35 HA GLN 5 HA GLN 5 7.195 -5.181 -3.624 36 HB2 GLN 5 HB2 GLN 5 7.451 -4.591 -6.218 37 HB3 GLN 5 HB1 GLN 5 6.091 -4.012 -5.255 38 HG2 GLN 5 HG2 GLN 5 7.297 -1.905 -4.813 39 HG3 GLN 5 HG1 GLN 5 8.656 -2.480 -5.777 40 HE21 GLN 5 HE21 GLN 5 8.133 -0.458 -7.117 41 HE22 GLN 5 HE22 GLN 5 6.928 -0.595 -8.314 42 H GLY 6 HN GLY 6 8.822 -6.589 -3.096 43 HA2 GLY 6 HA2 GLY 6 10.616 -7.976 -3.518 44 HA3 GLY 6 HA1 GLY 6 10.712 -7.254 -5.121 45 H DBB 7 HN DBB 7 10.833 -5.245 -2.286 46 HA DBB 7 HA DBB 7 13.622 -5.207 -1.848 47 HB2 DBB 7 HB2 DBB 7 11.406 -3.249 -1.289 48 HG1 DBB 7 HG1 DBB 7 12.910 -1.593 -1.053 49 HG2 DBB 7 HG2 DBB 7 14.224 -2.686 -1.487 50 HG3 DBB 7 HG3 DBB 7 13.713 -2.546 0.195 51 H ALA 8 HN ALA 8 11.510 -3.142 -3.816 52 HA ALA 8 HA ALA 8 13.744 -2.544 -5.593 53 HB1 ALA 8 HB1 ALA 8 11.458 -1.160 -6.452 54 HB2 ALA 8 HB2 ALA 8 10.868 -2.699 -5.826 55 HB3 ALA 8 HB3 ALA 8 12.089 -2.675 -7.098 56 H ASN 9 HN ASN 9 12.776 -1.285 -2.764 57 HA ASN 9 HA ASN 9 12.765 1.530 -3.471 58 HB2 ASN 9 HB2 ASN 9 11.425 0.602 -1.576 59 HB3 ASN 9 HB1 ASN 9 12.933 0.251 -0.735 60 HD21 ASN 9 HD21 ASN 9 11.111 2.042 0.450 61 HD22 ASN 9 HD22 ASN 9 11.750 3.619 0.385 62 H ARG 10 HN ARG 10 14.679 2.240 -4.232 63 HA ARG 10 HA ARG 10 17.154 1.531 -2.804 64 HB2 ARG 10 HB2 ARG 10 16.503 2.478 -5.557 65 HB3 ARG 10 HB1 ARG 10 18.069 2.925 -4.878 66 HG2 ARG 10 HG2 ARG 10 18.200 0.788 -6.121 67 HG3 ARG 10 HG1 ARG 10 18.555 0.560 -4.407 68 HD2 ARG 10 HD2 ARG 10 16.521 -0.493 -3.985 69 HD3 ARG 10 HD1 ARG 10 15.729 0.260 -5.367 70 HE ARG 10 HE ARG 10 16.640 -1.408 -6.756 71 HH11 ARG 10 HH11 ARG 10 17.816 -1.578 -3.506 72 HH12 ARG 10 HH12 ARG 10 18.505 -3.156 -3.692 73 HH21 ARG 10 HH21 ARG 10 17.537 -3.478 -7.005 74 HH22 ARG 10 HH22 ARG 10 18.347 -4.232 -5.673 75 H PHE 11 HN PHE 11 14.852 3.700 -2.405 76 HA PHE 11 HA PHE 11 16.702 5.935 -1.847 77 HB2 PHE 11 HB2 PHE 11 14.540 7.334 -1.890 78 HB3 PHE 11 HB1 PHE 11 15.148 6.751 -3.439 79 HD1 PHE 11 HD1 PHE 11 12.274 7.024 -1.437 80 HD2 PHE 11 HD2 PHE 11 14.274 4.289 -4.079 81 HE1 PHE 11 HE1 PHE 11 10.147 5.800 -1.783 82 HE2 PHE 11 HE2 PHE 11 12.146 3.068 -4.425 83 HZ PHE 11 HZ PHE 11 10.091 3.813 -3.267 84 H DBB 12 HN DBB 12 13.430 5.129 -0.708 85 HA DBB 12 HA DBB 12 12.532 4.829 1.342 86 HB2 DBB 12 HB2 DBB 12 13.189 6.328 3.103 87 HG1 DBB 12 HG1 DBB 12 15.253 7.406 3.272 88 HG2 DBB 12 HG2 DBB 12 15.595 7.232 1.550 89 HG3 DBB 12 HG3 DBB 12 15.725 5.837 2.619 90 H ILE 13 HN ILE 13 13.909 2.769 0.554 91 HA ILE 13 HA ILE 13 14.687 0.783 1.377 92 HB ILE 13 HB ILE 13 16.844 2.430 2.691 93 HG12 ILE 13 HG12 ILE 13 17.373 1.670 -0.072 94 HG13 ILE 13 HG11 ILE 13 15.992 2.762 0.041 95 HG21 ILE 13 HG21 ILE 13 17.962 0.468 2.745 96 HG22 ILE 13 HG22 ILE 13 17.572 0.123 1.060 97 HG23 ILE 13 HG23 ILE 13 16.431 -0.307 2.334 98 HD11 ILE 13 HD11 ILE 13 17.896 4.182 -0.131 99 HD12 ILE 13 HD12 ILE 13 18.810 3.221 1.031 100 HD13 ILE 13 HD13 ILE 13 17.451 4.206 1.576 101 H ASN 14 HN ASN 14 13.060 2.721 3.206 102 HA ASN 14 HA ASN 14 12.882 0.947 5.432 103 HB2 ASN 14 HB2 ASN 14 14.351 3.553 5.772 104 HB3 ASN 14 HB1 ASN 14 13.472 2.822 7.113 105 HD21 ASN 14 HD21 ASN 14 14.037 0.039 6.337 106 HD22 ASN 14 HD22 ASN 14 15.687 -0.221 6.633 107 H VAL 15 HN VAL 15 12.204 4.093 4.008 108 HA VAL 15 HA VAL 15 9.399 3.821 4.550 109 HB VAL 15 HB VAL 15 9.738 4.628 6.703 110 HG11 VAL 15 HG11 VAL 15 12.202 5.577 5.573 111 HG12 VAL 15 HG12 VAL 15 11.778 5.384 7.274 112 HG13 VAL 15 HG13 VAL 15 11.429 6.901 6.444 113 HG21 VAL 15 HG21 VAL 15 8.442 6.481 6.591 114 HG22 VAL 15 HG22 VAL 15 8.581 6.337 4.838 115 HG23 VAL 15 HG23 VAL 15 9.685 7.387 5.728 116 H CYS 16 HN CYS 16 11.072 6.912 4.487 117 HA CYS 16 HA CYS 16 11.183 8.577 2.913 118 HB2 CYS 16 HB2 CYS 16 11.224 6.103 1.309 119 HB3 CYS 16 HB1 CYS 16 10.696 7.545 0.445 Start of MODEL 17 1 H1 PHE 1 HT1 PHE 1 11.614 -2.368 8.915 2 H2 PHE 1 HT2 PHE 1 10.548 -1.370 8.047 3 H3 PHE 1 HT3 PHE 1 12.197 -1.412 7.643 4 HA PHE 1 HA PHE 1 12.058 -3.396 6.569 5 HB2 PHE 1 HB2 PHE 1 11.235 -4.661 8.480 6 HB3 PHE 1 HB1 PHE 1 9.634 -3.941 8.306 7 HD1 PHE 1 HD1 PHE 1 12.168 -5.951 6.416 8 HD2 PHE 1 HD2 PHE 1 8.019 -4.980 6.960 9 HE1 PHE 1 HE1 PHE 1 11.540 -7.725 4.801 10 HE2 PHE 1 HE2 PHE 1 7.392 -6.754 5.345 11 HZ PHE 1 HZ PHE 1 9.153 -8.127 4.265 12 H PHE 2 HN PHE 2 11.541 -1.317 5.253 13 HA PHE 2 HA PHE 2 8.787 -1.448 4.197 14 HB2 PHE 2 HB2 PHE 2 9.275 0.768 4.907 15 HB3 PHE 2 HB1 PHE 2 10.872 0.733 4.159 16 HD1 PHE 2 HD1 PHE 2 7.644 -0.478 2.744 17 HD2 PHE 2 HD2 PHE 2 10.758 2.476 2.562 18 HE1 PHE 2 HE1 PHE 2 6.683 0.411 0.635 19 HE2 PHE 2 HE2 PHE 2 9.798 3.368 0.466 20 HZ PHE 2 HZ PHE 2 7.756 2.337 -0.500 21 H CYS 3 HN CYS 3 8.552 -2.569 2.388 22 HA CYS 3 HA CYS 3 10.612 -2.331 0.312 23 HB2 CYS 3 HB2 CYS 3 9.845 -4.782 1.748 24 HB3 CYS 3 HB1 CYS 3 9.826 -4.924 -0.009 25 H VAL 4 HN VAL 4 9.420 -1.212 -1.144 26 HA VAL 4 HA VAL 4 6.647 -1.556 -1.595 27 HB VAL 4 HB VAL 4 7.303 -0.416 -3.862 28 HG11 VAL 4 HG11 VAL 4 6.446 1.273 -2.646 29 HG12 VAL 4 HG12 VAL 4 8.065 1.574 -2.011 30 HG13 VAL 4 HG13 VAL 4 6.963 0.501 -1.147 31 HG21 VAL 4 HG21 VAL 4 9.469 0.568 -3.928 32 HG22 VAL 4 HG22 VAL 4 9.752 -1.108 -3.457 33 HG23 VAL 4 HG23 VAL 4 9.788 0.169 -2.239 34 H GLN 5 HN GLN 5 9.498 -2.816 -3.299 35 HA GLN 5 HA GLN 5 7.825 -4.984 -4.359 36 HB2 GLN 5 HB2 GLN 5 9.707 -3.373 -6.102 37 HB3 GLN 5 HB1 GLN 5 8.662 -4.701 -6.610 38 HG2 GLN 5 HG2 GLN 5 7.670 -2.097 -5.416 39 HG3 GLN 5 HG1 GLN 5 7.701 -2.456 -7.142 40 HE21 GLN 5 HE21 GLN 5 5.416 -2.132 -5.010 41 HE22 GLN 5 HE22 GLN 5 4.426 -3.479 -5.316 42 H GLY 6 HN GLY 6 8.802 -6.684 -3.416 43 HA2 GLY 6 HA2 GLY 6 10.496 -8.030 -2.568 44 HA3 GLY 6 HA1 GLY 6 11.103 -7.863 -4.213 45 H DBB 7 HN DBB 7 10.863 -5.000 -2.310 46 HA DBB 7 HA DBB 7 13.608 -5.140 -1.342 47 HB2 DBB 7 HB2 DBB 7 11.375 -3.146 -1.073 48 HG1 DBB 7 HG1 DBB 7 13.419 -2.284 0.595 49 HG2 DBB 7 HG2 DBB 7 12.949 -1.522 -0.925 50 HG3 DBB 7 HG3 DBB 7 14.266 -2.694 -0.898 51 H ALA 8 HN ALA 8 11.695 -3.294 -3.691 52 HA ALA 8 HA ALA 8 14.185 -2.595 -5.083 53 HB1 ALA 8 HB1 ALA 8 11.560 -1.906 -6.271 54 HB2 ALA 8 HB2 ALA 8 11.902 -3.627 -6.085 55 HB3 ALA 8 HB3 ALA 8 12.991 -2.608 -7.025 56 H ASN 9 HN ASN 9 13.225 -1.248 -2.615 57 HA ASN 9 HA ASN 9 12.368 1.387 -3.525 58 HB2 ASN 9 HB2 ASN 9 11.470 0.409 -1.433 59 HB3 ASN 9 HB1 ASN 9 13.096 0.431 -0.751 60 HD21 ASN 9 HD21 ASN 9 11.650 1.909 0.818 61 HD22 ASN 9 HD22 ASN 9 11.703 3.571 0.464 62 H ARG 10 HN ARG 10 13.986 2.420 -4.585 63 HA ARG 10 HA ARG 10 16.635 2.562 -3.290 64 HB2 ARG 10 HB2 ARG 10 16.366 3.744 -5.958 65 HB3 ARG 10 HB1 ARG 10 17.553 2.595 -5.353 66 HG2 ARG 10 HG2 ARG 10 14.716 1.892 -6.159 67 HG3 ARG 10 HG1 ARG 10 16.150 1.609 -7.149 68 HD2 ARG 10 HD2 ARG 10 15.693 0.464 -4.381 69 HD3 ARG 10 HD1 ARG 10 15.477 -0.421 -5.887 70 HE ARG 10 HE ARG 10 17.998 0.252 -4.625 71 HH11 ARG 10 HH11 ARG 10 16.327 -0.557 -7.544 72 HH12 ARG 10 HH12 ARG 10 17.730 -1.190 -8.338 73 HH21 ARG 10 HH21 ARG 10 19.846 -0.577 -5.659 74 HH22 ARG 10 HH22 ARG 10 19.722 -1.201 -7.270 75 H PHE 11 HN PHE 11 14.459 4.039 -2.250 76 HA PHE 11 HA PHE 11 15.547 6.725 -2.503 77 HB2 PHE 11 HB2 PHE 11 13.264 7.695 -2.852 78 HB3 PHE 11 HB1 PHE 11 13.903 6.818 -4.244 79 HD1 PHE 11 HD1 PHE 11 11.749 6.384 -1.211 80 HD2 PHE 11 HD2 PHE 11 12.714 5.014 -5.166 81 HE1 PHE 11 HE1 PHE 11 9.799 4.857 -1.144 82 HE2 PHE 11 HE2 PHE 11 10.773 3.486 -5.118 83 HZ PHE 11 HZ PHE 11 9.308 3.395 -3.115 84 H DBB 12 HN DBB 12 13.914 4.280 -0.818 85 HA DBB 12 HA DBB 12 12.408 5.315 1.140 86 HB2 DBB 12 HB2 DBB 12 14.272 5.741 2.958 87 HG1 DBB 12 HG1 DBB 12 15.828 7.179 0.975 88 HG2 DBB 12 HG2 DBB 12 15.825 5.453 0.620 89 HG3 DBB 12 HG3 DBB 12 16.382 6.028 2.193 90 H ILE 13 HN ILE 13 15.281 3.443 0.486 91 HA ILE 13 HA ILE 13 14.448 0.960 0.919 92 HB ILE 13 HB ILE 13 17.016 1.615 2.295 93 HG12 ILE 13 HG12 ILE 13 17.883 1.681 -0.224 94 HG13 ILE 13 HG11 ILE 13 16.272 2.335 -0.515 95 HG21 ILE 13 HG21 ILE 13 16.845 -0.252 0.011 96 HG22 ILE 13 HG22 ILE 13 15.838 -0.683 1.392 97 HG23 ILE 13 HG23 ILE 13 17.578 -0.483 1.598 98 HD11 ILE 13 HD11 ILE 13 18.546 3.512 1.008 99 HD12 ILE 13 HD12 ILE 13 16.923 3.812 1.628 100 HD13 ILE 13 HD13 ILE 13 17.346 4.306 -0.011 101 H ASN 14 HN ASN 14 15.557 3.068 3.565 102 HA ASN 14 HA ASN 14 15.055 1.238 5.654 103 HB2 ASN 14 HB2 ASN 14 15.198 4.254 5.597 104 HB3 ASN 14 HB1 ASN 14 14.995 3.329 7.085 105 HD21 ASN 14 HD21 ASN 14 17.334 4.921 6.642 106 HD22 ASN 14 HD22 ASN 14 18.664 3.878 6.477 107 H VAL 15 HN VAL 15 13.043 3.723 4.146 108 HA VAL 15 HA VAL 15 10.602 2.597 4.289 109 HB VAL 15 HB VAL 15 10.753 2.119 6.626 110 HG11 VAL 15 HG11 VAL 15 11.024 4.264 8.152 111 HG12 VAL 15 HG12 VAL 15 11.838 4.910 6.727 112 HG13 VAL 15 HG13 VAL 15 12.446 3.447 7.502 113 HG21 VAL 15 HG21 VAL 15 8.636 3.280 5.656 114 HG22 VAL 15 HG22 VAL 15 9.166 4.679 6.591 115 HG23 VAL 15 HG23 VAL 15 8.797 3.160 7.408 116 H CYS 16 HN CYS 16 12.511 5.069 3.672 117 HA CYS 16 HA CYS 16 10.542 7.215 3.884 118 HB2 CYS 16 HB2 CYS 16 12.300 8.651 3.728 119 HB3 CYS 16 HB1 CYS 16 13.235 7.228 4.186 Start of MODEL 18 1 H1 PHE 1 HT1 PHE 1 12.322 -1.514 8.210 2 H2 PHE 1 HT2 PHE 1 11.837 -2.752 9.268 3 H3 PHE 1 HT3 PHE 1 10.672 -1.793 8.487 4 HA PHE 1 HA PHE 1 12.552 -3.250 6.795 5 HB2 PHE 1 HB2 PHE 1 10.280 -4.526 8.342 6 HB3 PHE 1 HB1 PHE 1 11.048 -5.263 6.936 7 HD1 PHE 1 HD1 PHE 1 11.346 -4.523 10.486 8 HD2 PHE 1 HD2 PHE 1 13.486 -5.840 7.003 9 HE1 PHE 1 HE1 PHE 1 13.161 -5.397 11.932 10 HE2 PHE 1 HE2 PHE 1 15.303 -6.713 8.449 11 HZ PHE 1 HZ PHE 1 15.139 -6.492 10.913 12 H PHE 2 HN PHE 2 11.916 -1.567 5.340 13 HA PHE 2 HA PHE 2 9.100 -1.753 4.450 14 HB2 PHE 2 HB2 PHE 2 9.530 0.468 5.251 15 HB3 PHE 2 HB1 PHE 2 11.041 0.562 4.347 16 HD1 PHE 2 HD1 PHE 2 7.826 -0.879 3.147 17 HD2 PHE 2 HD2 PHE 2 10.589 2.400 2.902 18 HE1 PHE 2 HE1 PHE 2 6.591 0.015 1.190 19 HE2 PHE 2 HE2 PHE 2 9.355 3.294 0.947 20 HZ PHE 2 HZ PHE 2 7.356 2.103 0.092 21 H CYS 3 HN CYS 3 9.007 -3.043 2.725 22 HA CYS 3 HA CYS 3 11.039 -2.677 0.606 23 HB2 CYS 3 HB2 CYS 3 10.227 -5.075 1.994 24 HB3 CYS 3 HB1 CYS 3 9.862 -5.211 0.273 25 H VAL 4 HN VAL 4 10.301 -2.258 -1.398 26 HA VAL 4 HA VAL 4 7.381 -2.425 -1.839 27 HB VAL 4 HB VAL 4 7.780 -0.527 -3.480 28 HG11 VAL 4 HG11 VAL 4 6.836 -0.279 -1.155 29 HG12 VAL 4 HG12 VAL 4 7.678 1.155 -1.744 30 HG13 VAL 4 HG13 VAL 4 8.469 0.078 -0.594 31 HG21 VAL 4 HG21 VAL 4 10.309 -0.976 -3.478 32 HG22 VAL 4 HG22 VAL 4 10.341 -0.164 -1.912 33 HG23 VAL 4 HG23 VAL 4 9.814 0.713 -3.350 34 H GLN 5 HN GLN 5 6.727 -3.624 -3.514 35 HA GLN 5 HA GLN 5 6.953 -5.257 -5.151 36 HB2 GLN 5 HB2 GLN 5 8.222 -4.076 -7.192 37 HB3 GLN 5 HB1 GLN 5 6.581 -3.631 -6.721 38 HG2 GLN 5 HG2 GLN 5 7.458 -1.803 -5.328 39 HG3 GLN 5 HG1 GLN 5 9.107 -2.257 -5.754 40 HE21 GLN 5 HE21 GLN 5 7.824 0.336 -6.357 41 HE22 GLN 5 HE22 GLN 5 7.812 0.480 -8.051 42 H GLY 6 HN GLY 6 8.492 -6.444 -3.670 43 HA2 GLY 6 HA2 GLY 6 10.368 -7.757 -3.442 44 HA3 GLY 6 HA1 GLY 6 10.689 -7.426 -5.140 45 H DBB 7 HN DBB 7 11.037 -6.054 -1.882 46 HA DBB 7 HA DBB 7 13.600 -5.491 -1.652 47 HB2 DBB 7 HB2 DBB 7 11.290 -3.649 -1.106 48 HG1 DBB 7 HG1 DBB 7 14.147 -2.996 -1.192 49 HG2 DBB 7 HG2 DBB 7 13.401 -2.650 0.368 50 HG3 DBB 7 HG3 DBB 7 12.751 -1.923 -1.102 51 H ALA 8 HN ALA 8 11.461 -3.333 -3.523 52 HA ALA 8 HA ALA 8 13.809 -2.545 -5.135 53 HB1 ALA 8 HB1 ALA 8 12.450 -2.398 -6.990 54 HB2 ALA 8 HB2 ALA 8 11.015 -2.014 -6.039 55 HB3 ALA 8 HB3 ALA 8 11.611 -3.672 -6.105 56 H ASN 9 HN ASN 9 13.576 -1.261 -2.720 57 HA ASN 9 HA ASN 9 12.031 1.150 -2.914 58 HB2 ASN 9 HB2 ASN 9 13.379 -0.197 -0.891 59 HB3 ASN 9 HB1 ASN 9 14.318 1.274 -1.117 60 HD21 ASN 9 HD21 ASN 9 12.816 0.886 1.258 61 HD22 ASN 9 HD22 ASN 9 11.536 2.006 1.278 62 H ARG 10 HN ARG 10 15.514 1.191 -2.301 63 HA ARG 10 HA ARG 10 17.207 2.440 -3.210 64 HB2 ARG 10 HB2 ARG 10 15.491 1.974 -5.640 65 HB3 ARG 10 HB1 ARG 10 17.044 2.805 -5.718 66 HG2 ARG 10 HG2 ARG 10 17.391 0.445 -6.206 67 HG3 ARG 10 HG1 ARG 10 18.107 0.814 -4.635 68 HD2 ARG 10 HD2 ARG 10 16.224 -0.129 -3.469 69 HD3 ARG 10 HD1 ARG 10 15.305 -0.287 -4.964 70 HE ARG 10 HE ARG 10 17.449 -2.039 -4.041 71 HH11 ARG 10 HH11 ARG 10 15.410 -0.946 -6.613 72 HH12 ARG 10 HH12 ARG 10 15.600 -2.382 -7.564 73 HH21 ARG 10 HH21 ARG 10 17.706 -3.932 -5.286 74 HH22 ARG 10 HH22 ARG 10 16.899 -4.072 -6.812 75 H PHE 11 HN PHE 11 15.362 3.899 -1.803 76 HA PHE 11 HA PHE 11 15.883 6.536 -2.527 77 HB2 PHE 11 HB2 PHE 11 13.774 7.314 -3.452 78 HB3 PHE 11 HB1 PHE 11 14.393 6.016 -4.476 79 HD1 PHE 11 HD1 PHE 11 12.236 6.516 -1.451 80 HD2 PHE 11 HD2 PHE 11 12.989 4.235 -5.007 81 HE1 PHE 11 HE1 PHE 11 10.195 5.184 -1.017 82 HE2 PHE 11 HE2 PHE 11 10.952 2.899 -4.583 83 HZ PHE 11 HZ PHE 11 9.550 3.365 -2.592 84 H DBB 12 HN DBB 12 14.164 4.143 -0.839 85 HA DBB 12 HA DBB 12 12.304 5.180 0.726 86 HB2 DBB 12 HB2 DBB 12 13.771 5.928 2.792 87 HG1 DBB 12 HG1 DBB 12 15.920 6.440 2.357 88 HG2 DBB 12 HG2 DBB 12 15.467 7.396 0.945 89 HG3 DBB 12 HG3 DBB 12 15.716 5.656 0.792 90 H ILE 13 HN ILE 13 15.444 3.634 0.958 91 HA ILE 13 HA ILE 13 14.623 1.101 1.546 92 HB ILE 13 HB ILE 13 17.029 2.110 2.997 93 HG12 ILE 13 HG12 ILE 13 17.216 3.413 1.003 94 HG13 ILE 13 HG11 ILE 13 18.218 1.987 0.728 95 HG21 ILE 13 HG21 ILE 13 17.926 0.005 2.362 96 HG22 ILE 13 HG22 ILE 13 16.751 -0.194 1.061 97 HG23 ILE 13 HG23 ILE 13 16.241 -0.343 2.744 98 HD11 ILE 13 HD11 ILE 13 15.578 2.715 -0.481 99 HD12 ILE 13 HD12 ILE 13 15.943 1.007 -0.236 100 HD13 ILE 13 HD13 ILE 13 17.001 1.999 -1.239 101 H ASN 14 HN ASN 14 15.465 3.569 3.993 102 HA ASN 14 HA ASN 14 14.802 1.975 6.231 103 HB2 ASN 14 HB2 ASN 14 16.128 4.195 6.110 104 HB3 ASN 14 HB1 ASN 14 14.549 4.970 6.212 105 HD21 ASN 14 HD21 ASN 14 14.936 5.788 8.390 106 HD22 ASN 14 HD22 ASN 14 14.992 4.746 9.729 107 H VAL 15 HN VAL 15 12.911 4.272 4.306 108 HA VAL 15 HA VAL 15 10.454 3.030 4.612 109 HB VAL 15 HB VAL 15 9.594 4.984 6.283 110 HG11 VAL 15 HG11 VAL 15 10.598 2.739 7.834 111 HG12 VAL 15 HG12 VAL 15 9.888 2.197 6.313 112 HG13 VAL 15 HG13 VAL 15 8.933 3.163 7.437 113 HG21 VAL 15 HG21 VAL 15 12.283 5.315 6.501 114 HG22 VAL 15 HG22 VAL 15 12.012 4.120 7.769 115 HG23 VAL 15 HG23 VAL 15 11.156 5.661 7.814 116 H CYS 16 HN CYS 16 11.886 6.279 4.807 117 HA CYS 16 HA CYS 16 11.531 8.175 3.568 118 HB2 CYS 16 HB2 CYS 16 11.247 5.946 1.699 119 HB3 CYS 16 HB1 CYS 16 10.512 7.452 1.164 Start of MODEL 19 1 H1 PHE 1 HT1 PHE 1 10.209 -5.535 6.086 2 H2 PHE 1 HT2 PHE 1 8.816 -4.579 6.254 3 H3 PHE 1 HT3 PHE 1 9.862 -4.799 7.573 4 HA PHE 1 HA PHE 1 10.797 -2.882 6.994 5 HB2 PHE 1 HB2 PHE 1 11.692 -4.607 4.665 6 HB3 PHE 1 HB1 PHE 1 12.426 -3.064 5.105 7 HD1 PHE 1 HD1 PHE 1 12.324 -6.602 5.761 8 HD2 PHE 1 HD2 PHE 1 13.368 -2.804 7.476 9 HE1 PHE 1 HE1 PHE 1 13.729 -7.752 7.452 10 HE2 PHE 1 HE2 PHE 1 14.773 -3.954 9.166 11 HZ PHE 1 HZ PHE 1 14.954 -6.427 9.154 12 H PHE 2 HN PHE 2 11.124 -1.208 5.157 13 HA PHE 2 HA PHE 2 8.561 -0.486 4.166 14 HB2 PHE 2 HB2 PHE 2 10.036 1.302 4.631 15 HB3 PHE 2 HB1 PHE 2 11.343 0.576 3.695 16 HD1 PHE 2 HD1 PHE 2 7.721 1.052 2.870 17 HD2 PHE 2 HD2 PHE 2 11.792 2.029 1.908 18 HE1 PHE 2 HE1 PHE 2 6.951 2.266 0.849 19 HE2 PHE 2 HE2 PHE 2 11.023 3.243 -0.114 20 HZ PHE 2 HZ PHE 2 8.602 3.361 -0.642 21 H CYS 3 HN CYS 3 11.096 -2.448 2.914 22 HA CYS 3 HA CYS 3 11.275 -2.386 0.305 23 HB2 CYS 3 HB2 CYS 3 10.804 -4.623 2.143 24 HB3 CYS 3 HB1 CYS 3 10.367 -4.975 0.471 25 H VAL 4 HN VAL 4 9.775 -1.289 -0.904 26 HA VAL 4 HA VAL 4 6.973 -1.599 -0.717 27 HB VAL 4 HB VAL 4 7.001 -0.529 -3.023 28 HG11 VAL 4 HG11 VAL 4 8.303 1.554 -2.013 29 HG12 VAL 4 HG12 VAL 4 8.271 0.576 -0.545 30 HG13 VAL 4 HG13 VAL 4 6.761 1.039 -1.330 31 HG21 VAL 4 HG21 VAL 4 9.149 0.257 -3.858 32 HG22 VAL 4 HG22 VAL 4 9.232 -1.493 -3.653 33 HG23 VAL 4 HG23 VAL 4 9.982 -0.429 -2.463 34 H GLN 5 HN GLN 5 9.375 -3.043 -2.902 35 HA GLN 5 HA GLN 5 7.615 -5.322 -3.334 36 HB2 GLN 5 HB2 GLN 5 8.284 -4.877 -5.929 37 HB3 GLN 5 HB1 GLN 5 6.750 -4.380 -5.213 38 HG2 GLN 5 HG2 GLN 5 7.688 -2.168 -4.699 39 HG3 GLN 5 HG1 GLN 5 9.240 -2.658 -5.377 40 HE21 GLN 5 HE21 GLN 5 8.216 -0.479 -6.614 41 HE22 GLN 5 HE22 GLN 5 7.514 -0.873 -8.107 42 H GLY 6 HN GLY 6 8.955 -6.949 -2.885 43 HA2 GLY 6 HA2 GLY 6 10.891 -8.200 -2.717 44 HA3 GLY 6 HA1 GLY 6 11.040 -7.818 -4.430 45 H DBB 7 HN DBB 7 11.092 -5.315 -2.002 46 HA DBB 7 HA DBB 7 13.923 -5.191 -1.664 47 HB2 DBB 7 HB2 DBB 7 11.649 -3.308 -1.080 48 HG1 DBB 7 HG1 DBB 7 14.016 -2.356 0.146 49 HG2 DBB 7 HG2 DBB 7 13.060 -1.553 -1.099 50 HG3 DBB 7 HG3 DBB 7 14.404 -2.599 -1.556 51 H ALA 8 HN ALA 8 11.696 -2.996 -3.398 52 HA ALA 8 HA ALA 8 13.917 -2.382 -5.253 53 HB1 ALA 8 HB1 ALA 8 11.721 -3.597 -6.054 54 HB2 ALA 8 HB2 ALA 8 12.439 -2.320 -7.035 55 HB3 ALA 8 HB3 ALA 8 11.050 -1.966 -6.008 56 H ASN 9 HN ASN 9 13.335 -1.054 -2.717 57 HA ASN 9 HA ASN 9 11.904 1.330 -2.982 58 HB2 ASN 9 HB2 ASN 9 14.253 0.516 -1.292 59 HB3 ASN 9 HB1 ASN 9 13.633 2.164 -1.234 60 HD21 ASN 9 HD21 ASN 9 13.446 0.505 1.063 61 HD22 ASN 9 HD22 ASN 9 11.815 0.124 1.330 62 H ARG 10 HN ARG 10 15.396 1.575 -2.636 63 HA ARG 10 HA ARG 10 16.962 2.846 -3.735 64 HB2 ARG 10 HB2 ARG 10 15.062 2.171 -5.966 65 HB3 ARG 10 HB1 ARG 10 16.430 3.249 -6.243 66 HG2 ARG 10 HG2 ARG 10 17.111 0.973 -6.770 67 HG3 ARG 10 HG1 ARG 10 17.943 1.490 -5.303 68 HD2 ARG 10 HD2 ARG 10 16.290 0.317 -3.924 69 HD3 ARG 10 HD1 ARG 10 15.398 -0.156 -5.368 70 HE ARG 10 HE ARG 10 17.083 -1.733 -5.853 71 HH11 ARG 10 HH11 ARG 10 17.832 0.258 -3.122 72 HH12 ARG 10 HH12 ARG 10 19.133 -0.744 -2.574 73 HH21 ARG 10 HH21 ARG 10 18.789 -3.051 -5.139 74 HH22 ARG 10 HH22 ARG 10 19.676 -2.617 -3.716 75 H PHE 11 HN PHE 11 15.356 4.287 -2.130 76 HA PHE 11 HA PHE 11 15.588 6.903 -2.937 77 HB2 PHE 11 HB2 PHE 11 13.332 7.546 -3.644 78 HB3 PHE 11 HB1 PHE 11 14.012 6.356 -4.755 79 HD1 PHE 11 HD1 PHE 11 12.144 6.348 -1.492 80 HD2 PHE 11 HD2 PHE 11 12.572 4.658 -5.417 81 HE1 PHE 11 HE1 PHE 11 10.225 4.840 -1.051 82 HE2 PHE 11 HE2 PHE 11 10.654 3.149 -4.977 83 HZ PHE 11 HZ PHE 11 9.481 3.240 -2.794 84 H DBB 12 HN DBB 12 14.702 4.557 -0.842 85 HA DBB 12 HA DBB 12 12.834 5.841 0.862 86 HB2 DBB 12 HB2 DBB 12 15.141 5.974 2.511 87 HG1 DBB 12 HG1 DBB 12 16.203 6.190 0.126 88 HG2 DBB 12 HG2 DBB 12 16.656 7.355 1.372 89 HG3 DBB 12 HG3 DBB 12 15.473 7.796 0.139 90 H ILE 13 HN ILE 13 15.894 4.053 1.104 91 HA ILE 13 HA ILE 13 14.707 1.531 1.562 92 HB ILE 13 HB ILE 13 17.429 2.188 2.623 93 HG12 ILE 13 HG12 ILE 13 17.546 3.406 0.597 94 HG13 ILE 13 HG11 ILE 13 18.176 1.814 0.167 95 HG21 ILE 13 HG21 ILE 13 16.587 -0.086 0.835 96 HG22 ILE 13 HG22 ILE 13 16.241 -0.128 2.564 97 HG23 ILE 13 HG23 ILE 13 17.910 -0.030 2.000 98 HD11 ILE 13 HD11 ILE 13 15.614 3.112 -0.611 99 HD12 ILE 13 HD12 ILE 13 15.558 1.377 -0.296 100 HD13 ILE 13 HD13 ILE 13 16.644 2.014 -1.530 101 H ASN 14 HN ASN 14 14.039 0.517 3.372 102 HA ASN 14 HA ASN 14 13.551 0.130 5.589 103 HB2 ASN 14 HB2 ASN 14 15.997 0.631 5.924 104 HB3 ASN 14 HB1 ASN 14 15.547 2.308 6.228 105 HD21 ASN 14 HD21 ASN 14 16.094 2.313 8.490 106 HD22 ASN 14 HD22 ASN 14 15.253 1.377 9.629 107 H VAL 15 HN VAL 15 12.118 2.044 3.949 108 HA VAL 15 HA VAL 15 10.180 3.267 4.420 109 HB VAL 15 HB VAL 15 11.317 3.906 7.140 110 HG11 VAL 15 HG11 VAL 15 8.605 3.940 5.822 111 HG12 VAL 15 HG12 VAL 15 9.423 5.237 6.693 112 HG13 VAL 15 HG13 VAL 15 8.757 3.864 7.578 113 HG21 VAL 15 HG21 VAL 15 10.783 1.842 7.940 114 HG22 VAL 15 HG22 VAL 15 10.927 1.331 6.259 115 HG23 VAL 15 HG23 VAL 15 9.343 1.722 6.930 116 H CYS 16 HN CYS 16 10.308 5.009 3.160 117 HA CYS 16 HA CYS 16 10.832 7.543 3.810 118 HB2 CYS 16 HB2 CYS 16 12.987 7.627 4.476 119 HB3 CYS 16 HB1 CYS 16 13.366 6.066 3.748 Start of MODEL 20 1 H1 PHE 1 HT1 PHE 1 10.533 -1.301 8.420 2 H2 PHE 1 HT2 PHE 1 10.006 -2.753 9.126 3 H3 PHE 1 HT3 PHE 1 8.988 -1.902 8.066 4 HA PHE 1 HA PHE 1 11.584 -2.696 7.013 5 HB2 PHE 1 HB2 PHE 1 10.918 -4.702 8.265 6 HB3 PHE 1 HB1 PHE 1 9.322 -4.654 7.515 7 HD1 PHE 1 HD1 PHE 1 12.966 -4.817 6.665 8 HD2 PHE 1 HD2 PHE 1 8.945 -5.754 5.474 9 HE1 PHE 1 HE1 PHE 1 13.837 -6.094 4.726 10 HE2 PHE 1 HE2 PHE 1 9.817 -7.030 3.535 11 HZ PHE 1 HZ PHE 1 12.263 -7.200 3.161 12 H PHE 2 HN PHE 2 11.245 -1.235 5.363 13 HA PHE 2 HA PHE 2 8.778 -1.570 3.768 14 HB2 PHE 2 HB2 PHE 2 8.983 0.698 4.542 15 HB3 PHE 2 HB1 PHE 2 10.674 0.771 4.046 16 HD1 PHE 2 HD1 PHE 2 7.652 -0.572 2.283 17 HD2 PHE 2 HD2 PHE 2 10.821 2.328 2.305 18 HE1 PHE 2 HE1 PHE 2 6.958 0.205 0.033 19 HE2 PHE 2 HE2 PHE 2 10.128 3.102 0.055 20 HZ PHE 2 HZ PHE 2 8.196 2.042 -1.082 21 H CYS 3 HN CYS 3 9.053 -2.764 1.992 22 HA CYS 3 HA CYS 3 11.578 -2.465 0.494 23 HB2 CYS 3 HB2 CYS 3 10.807 -4.792 1.865 24 HB3 CYS 3 HB1 CYS 3 10.462 -5.101 0.163 25 H VAL 4 HN VAL 4 8.885 -1.296 0.129 26 HA VAL 4 HA VAL 4 7.222 -1.123 -1.484 27 HB VAL 4 HB VAL 4 8.365 -1.260 -3.844 28 HG11 VAL 4 HG11 VAL 4 9.561 0.738 -1.940 29 HG12 VAL 4 HG12 VAL 4 7.831 0.763 -2.280 30 HG13 VAL 4 HG13 VAL 4 8.991 0.989 -3.589 31 HG21 VAL 4 HG21 VAL 4 10.310 -2.568 -3.143 32 HG22 VAL 4 HG22 VAL 4 10.716 -1.358 -1.925 33 HG23 VAL 4 HG23 VAL 4 10.841 -0.961 -3.639 34 H GLN 5 HN GLN 5 8.805 -3.027 -3.829 35 HA GLN 5 HA GLN 5 6.645 -4.975 -3.771 36 HB2 GLN 5 HB2 GLN 5 9.009 -4.865 -5.651 37 HB3 GLN 5 HB1 GLN 5 7.467 -5.683 -5.907 38 HG2 GLN 5 HG2 GLN 5 7.875 -2.691 -5.647 39 HG3 GLN 5 HG1 GLN 5 7.504 -3.562 -7.135 40 HE21 GLN 5 HE21 GLN 5 6.009 -1.632 -4.967 41 HE22 GLN 5 HE22 GLN 5 4.445 -2.305 -4.982 42 H GLY 6 HN GLY 6 10.134 -5.451 -4.304 43 HA2 GLY 6 HA2 GLY 6 10.083 -7.638 -2.313 44 HA3 GLY 6 HA1 GLY 6 10.797 -7.878 -3.904 45 H DBB 7 HN DBB 7 11.291 -4.726 -2.954 46 HA DBB 7 HA DBB 7 13.986 -5.353 -1.891 47 HB2 DBB 7 HB2 DBB 7 12.021 -3.202 -1.141 48 HG1 DBB 7 HG1 DBB 7 13.739 -1.962 -0.043 49 HG2 DBB 7 HG2 DBB 7 14.354 -2.272 -1.667 50 HG3 DBB 7 HG3 DBB 7 14.925 -3.239 -0.307 51 H ALA 8 HN ALA 8 12.007 -3.011 -3.664 52 HA ALA 8 HA ALA 8 14.396 -2.259 -5.234 53 HB1 ALA 8 HB1 ALA 8 12.227 -1.450 -6.716 54 HB2 ALA 8 HB2 ALA 8 11.640 -2.939 -5.978 55 HB3 ALA 8 HB3 ALA 8 13.108 -2.959 -6.956 56 H ASN 9 HN ASN 9 13.768 -1.058 -2.736 57 HA ASN 9 HA ASN 9 12.250 1.267 -2.817 58 HB2 ASN 9 HB2 ASN 9 14.712 0.469 -1.293 59 HB3 ASN 9 HB1 ASN 9 14.040 2.088 -1.118 60 HD21 ASN 9 HD21 ASN 9 13.008 1.981 0.908 61 HD22 ASN 9 HD22 ASN 9 11.840 0.816 1.324 62 H ARG 10 HN ARG 10 15.722 1.732 -2.592 63 HA ARG 10 HA ARG 10 17.158 3.135 -3.705 64 HB2 ARG 10 HB2 ARG 10 15.270 2.334 -5.899 65 HB3 ARG 10 HB1 ARG 10 16.594 3.461 -6.202 66 HG2 ARG 10 HG2 ARG 10 17.503 1.324 -6.698 67 HG3 ARG 10 HG1 ARG 10 18.106 1.701 -5.082 68 HD2 ARG 10 HD2 ARG 10 16.305 0.376 -4.075 69 HD3 ARG 10 HD1 ARG 10 15.643 0.034 -5.671 70 HE ARG 10 HE ARG 10 18.101 -0.948 -5.962 71 HH11 ARG 10 HH11 ARG 10 15.895 -1.124 -3.303 72 HH12 ARG 10 HH12 ARG 10 16.461 -2.668 -2.757 73 HH21 ARG 10 HH21 ARG 10 18.840 -2.977 -5.260 74 HH22 ARG 10 HH22 ARG 10 18.128 -3.717 -3.866 75 H PHE 11 HN PHE 11 15.266 4.389 -2.119 76 HA PHE 11 HA PHE 11 15.403 7.055 -2.935 77 HB2 PHE 11 HB2 PHE 11 13.076 7.526 -3.581 78 HB3 PHE 11 HB1 PHE 11 13.794 6.367 -4.704 79 HD1 PHE 11 HD1 PHE 11 12.018 6.354 -1.400 80 HD2 PHE 11 HD2 PHE 11 12.527 4.480 -5.226 81 HE1 PHE 11 HE1 PHE 11 10.292 4.693 -0.799 82 HE2 PHE 11 HE2 PHE 11 10.793 2.809 -4.637 83 HZ PHE 11 HZ PHE 11 9.672 2.910 -2.424 84 H DBB 12 HN DBB 12 13.973 4.512 -1.126 85 HA DBB 12 HA DBB 12 12.265 5.519 0.662 86 HB2 DBB 12 HB2 DBB 12 13.975 6.088 2.606 87 HG1 DBB 12 HG1 DBB 12 15.698 5.883 0.426 88 HG2 DBB 12 HG2 DBB 12 16.066 6.656 1.969 89 HG3 DBB 12 HG3 DBB 12 15.467 7.621 0.619 90 H ILE 13 HN ILE 13 15.502 4.056 0.882 91 HA ILE 13 HA ILE 13 14.589 1.440 1.282 92 HB ILE 13 HB ILE 13 17.196 2.450 2.389 93 HG12 ILE 13 HG12 ILE 13 17.623 1.691 -0.271 94 HG13 ILE 13 HG11 ILE 13 16.182 2.708 -0.332 95 HG21 ILE 13 HG21 ILE 13 16.869 0.013 0.699 96 HG22 ILE 13 HG22 ILE 13 16.172 -0.038 2.318 97 HG23 ILE 13 HG23 ILE 13 17.897 0.269 2.110 98 HD11 ILE 13 HD11 ILE 13 17.498 4.521 -0.139 99 HD12 ILE 13 HD12 ILE 13 18.925 3.502 0.057 100 HD13 ILE 13 HD13 ILE 13 17.972 3.964 1.467 101 H ASN 14 HN ASN 14 13.923 0.335 3.016 102 HA ASN 14 HA ASN 14 13.220 -0.120 5.155 103 HB2 ASN 14 HB2 ASN 14 15.694 0.045 5.570 104 HB3 ASN 14 HB1 ASN 14 15.453 1.736 6.005 105 HD21 ASN 14 HD21 ASN 14 16.455 -0.062 7.945 106 HD22 ASN 14 HD22 ASN 14 15.268 -0.313 9.133 107 H VAL 15 HN VAL 15 11.939 1.981 3.745 108 HA VAL 15 HA VAL 15 10.189 3.406 4.283 109 HB VAL 15 HB VAL 15 10.788 2.345 6.766 110 HG11 VAL 15 HG11 VAL 15 10.818 4.288 8.301 111 HG12 VAL 15 HG12 VAL 15 10.969 5.371 6.918 112 HG13 VAL 15 HG13 VAL 15 12.267 4.240 7.297 113 HG21 VAL 15 HG21 VAL 15 8.582 3.060 5.557 114 HG22 VAL 15 HG22 VAL 15 8.789 4.573 6.441 115 HG23 VAL 15 HG23 VAL 15 8.622 3.052 7.320 116 H CYS 16 HN CYS 16 10.327 5.378 3.414 117 HA CYS 16 HA CYS 16 12.790 6.894 3.765 118 HB2 CYS 16 HB2 CYS 16 11.088 6.537 1.615 119 HB3 CYS 16 HB1 CYS 16 10.738 8.178 2.163
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