NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637726 | 6dz9 | 30486 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 7.974 1.554 -2.131 2 HA2 GLY 1 HA2 GLY 1 8.209 1.390 -4.685 3 HA3 GLY 1 HA1 GLY 1 8.871 -0.203 -4.328 4 H SER 2 HN SER 2 7.058 -0.628 -2.058 5 HA SER 2 HA SER 2 4.352 -0.477 -2.964 6 HB2 SER 2 HB2 SER 2 5.905 -2.627 -4.008 7 HB3 SER 2 HB1 SER 2 4.766 -3.298 -2.843 8 HG SER 2 HG SER 2 4.143 -1.524 -4.978 9 H LYS 3 HN LYS 3 3.058 -2.309 -1.620 10 HA LYS 3 HA LYS 3 4.122 -3.110 0.864 11 HB2 LYS 3 HB2 LYS 3 3.843 -0.471 0.985 12 HB3 LYS 3 HB1 LYS 3 2.162 -0.898 1.287 13 HG2 LYS 3 HG2 LYS 3 3.188 -0.788 3.438 14 HG3 LYS 3 HG1 LYS 3 3.014 -2.503 3.075 15 HD2 LYS 3 HD2 LYS 3 5.527 -1.657 2.009 16 HD3 LYS 3 HD1 LYS 3 5.412 -1.043 3.656 17 HE2 LYS 3 HE2 LYS 3 4.857 -3.920 2.876 18 HE3 LYS 3 HE1 LYS 3 6.390 -3.344 3.528 19 HZ1 LYS 3 HZ1 LYS 3 5.149 -2.520 5.476 20 HZ2 LYS 3 HZ2 LYS 3 5.065 -4.208 5.301 21 HZ3 LYS 3 HZ3 LYS 3 3.741 -3.237 4.862 22 H ARG 4 HN ARG 4 0.984 -1.680 -0.057 23 HA ARG 4 HA ARG 4 -0.303 -4.186 -0.452 24 HB2 ARG 4 HB2 ARG 4 0.120 -3.807 2.184 25 HB3 ARG 4 HB1 ARG 4 -1.393 -2.922 2.006 26 HG2 ARG 4 HG2 ARG 4 -2.201 -5.058 2.419 27 HG3 ARG 4 HG1 ARG 4 -2.132 -5.080 0.658 28 HD2 ARG 4 HD2 ARG 4 -1.111 -7.116 1.554 29 HD3 ARG 4 HD1 ARG 4 0.119 -6.124 0.780 30 HE ARG 4 HE ARG 4 1.078 -5.739 2.879 31 HH11 ARG 4 HH11 ARG 4 1.297 -6.219 5.088 32 HH12 ARG 4 HH12 ARG 4 0.024 -7.049 5.919 33 HH21 ARG 4 HH21 ARG 4 -2.011 -7.281 3.121 34 HH22 ARG 4 HH22 ARG 4 -1.848 -7.650 4.805 35 H PHE 5 HN PHE 5 -2.545 -3.956 -0.970 36 HA PHE 5 HA PHE 5 -3.274 -1.182 -1.660 37 HB2 PHE 5 HB2 PHE 5 -4.971 -2.467 -3.170 38 HB3 PHE 5 HB1 PHE 5 -3.280 -2.376 -3.663 39 HD1 PHE 5 HD1 PHE 5 -5.770 -4.523 -1.911 40 HD2 PHE 5 HD2 PHE 5 -1.957 -4.330 -3.875 41 HE1 PHE 5 HE1 PHE 5 -5.624 -6.999 -1.868 42 HE2 PHE 5 HE2 PHE 5 -1.808 -6.806 -3.834 43 HZ PHE 5 HZ PHE 5 -3.642 -8.140 -2.829 44 H ARG 6 HN ARG 6 -5.246 -0.339 -1.054 45 HA ARG 6 HA ARG 6 -7.046 -2.064 0.513 46 HB2 ARG 6 HB2 ARG 6 -5.730 0.471 1.483 47 HB3 ARG 6 HB1 ARG 6 -7.290 -0.043 2.112 48 HG2 ARG 6 HG2 ARG 6 -5.117 -2.083 1.992 49 HG3 ARG 6 HG1 ARG 6 -5.009 -0.841 3.238 50 HD2 ARG 6 HD2 ARG 6 -7.099 -1.455 4.184 51 HD3 ARG 6 HD1 ARG 6 -7.544 -2.416 2.776 52 HE ARG 6 HE ARG 6 -5.972 -3.297 5.004 53 HH11 ARG 6 HH11 ARG 6 -5.118 -5.398 4.882 54 HH12 ARG 6 HH12 ARG 6 -5.035 -6.206 3.352 55 HH21 ARG 6 HH21 ARG 6 -6.425 -3.567 1.583 56 HH22 ARG 6 HH22 ARG 6 -5.775 -5.170 1.485 57 HA DPR 7 HA DPR 7 -10.497 -0.576 -1.725 58 HB2 DPR 7 HB1 DPR 7 -8.716 -0.496 -4.139 59 HB3 DPR 7 HB2 DPR 7 -10.375 -1.105 -3.984 60 HG2 DPR 7 HG1 DPR 7 -8.185 -2.701 -3.953 61 HG3 DPR 7 HG2 DPR 7 -9.685 -3.090 -3.098 62 HD2 DPR 7 HD1 DPR 7 -7.062 -2.383 -1.990 63 HD3 DPR 7 HD2 DPR 7 -8.493 -3.013 -1.145 64 HA PRO 8 HA PRO 8 -10.439 3.801 -2.490 65 HB2 PRO 8 HB2 PRO 8 -10.358 4.766 0.129 66 HB3 PRO 8 HB1 PRO 8 -11.827 4.280 -0.736 67 HG2 PRO 8 HG2 PRO 8 -10.226 2.790 1.268 68 HG3 PRO 8 HG1 PRO 8 -11.979 2.808 1.001 69 HD2 PRO 8 HD2 PRO 8 -10.434 0.728 0.190 70 HD3 PRO 8 HD1 PRO 8 -11.874 1.239 -0.719 71 H ILE 9 HN ILE 9 -8.097 2.581 -0.125 72 HA ILE 9 HA ILE 9 -6.173 4.631 -1.062 73 HB ILE 9 HB ILE 9 -5.099 4.121 1.273 74 HG12 ILE 9 HG12 ILE 9 -7.897 3.757 2.201 75 HG13 ILE 9 HG11 ILE 9 -7.138 2.343 1.469 76 HG21 ILE 9 HG21 ILE 9 -5.783 6.314 1.025 77 HG22 ILE 9 HG22 ILE 9 -6.946 5.784 2.240 78 HG23 ILE 9 HG23 ILE 9 -7.418 5.861 0.543 79 HD11 ILE 9 HD11 ILE 9 -5.290 2.442 3.019 80 HD12 ILE 9 HD12 ILE 9 -6.780 2.525 3.960 81 HD13 ILE 9 HD13 ILE 9 -5.844 3.990 3.656 82 H ILE 10 HN ILE 10 -4.024 4.003 -1.336 83 HA ILE 10 HA ILE 10 -3.542 1.092 -1.342 84 HB ILE 10 HB ILE 10 -2.243 1.288 -3.381 85 HG12 ILE 10 HG12 ILE 10 -2.841 3.742 -4.496 86 HG13 ILE 10 HG11 ILE 10 -2.509 4.169 -2.821 87 HG21 ILE 10 HG21 ILE 10 -4.527 0.787 -3.779 88 HG22 ILE 10 HG22 ILE 10 -4.136 2.078 -4.917 89 HG23 ILE 10 HG23 ILE 10 -5.031 2.444 -3.441 90 HD11 ILE 10 HD11 ILE 10 -0.700 2.757 -4.779 91 HD12 ILE 10 HD12 ILE 10 -0.406 2.700 -3.041 92 HD13 ILE 10 HD13 ILE 10 -0.392 4.247 -3.889 93 H PHE 11 HN PHE 11 -2.003 0.533 -0.017 94 HA PHE 11 HA PHE 11 -0.128 2.526 0.987 95 HB2 PHE 11 HB2 PHE 11 -0.842 -0.294 1.759 96 HB3 PHE 11 HB1 PHE 11 0.612 0.476 2.394 97 HD1 PHE 11 HD1 PHE 11 0.220 2.980 3.264 98 HD2 PHE 11 HD2 PHE 11 -2.817 -0.045 2.968 99 HE1 PHE 11 HE1 PHE 11 -1.148 4.190 4.942 100 HE2 PHE 11 HE2 PHE 11 -4.183 1.165 4.646 101 HZ PHE 11 HZ PHE 11 -3.349 3.282 5.633 102 H ASN 12 HN ASN 12 1.847 2.803 0.181 103 HA ASN 12 HA ASN 12 3.229 0.522 -1.056 104 HB2 ASN 12 HB2 ASN 12 3.868 1.821 -2.993 105 HB3 ASN 12 HB1 ASN 12 2.111 1.834 -2.860 106 HD21 ASN 12 HD21 ASN 12 2.219 3.783 -0.548 107 HD22 ASN 12 HD22 ASN 12 2.584 5.286 -1.261 108 H GLU 13 HN GLU 13 5.262 0.366 -0.364 109 HA GLU 13 HA GLU 13 6.681 2.796 0.498 110 HB2 GLU 13 HB2 GLU 13 5.553 1.293 2.393 111 HB3 GLU 13 HB1 GLU 13 7.024 0.346 2.161 112 HG2 GLU 13 HG2 GLU 13 8.367 2.425 2.464 113 HG3 GLU 13 HG1 GLU 13 6.879 3.306 2.805 114 H ARG 14 HN ARG 14 8.914 2.719 0.215 115 HA ARG 14 HA ARG 14 10.837 2.112 -0.895 116 HB2 ARG 14 HB2 ARG 14 9.956 -0.264 0.646 117 HB3 ARG 14 HB1 ARG 14 11.189 -0.541 -0.583 118 HG2 ARG 14 HG2 ARG 14 12.716 0.928 0.435 119 HG3 ARG 14 HG1 ARG 14 11.454 1.750 1.353 120 HD2 ARG 14 HD2 ARG 14 13.068 -0.100 2.457 121 HD3 ARG 14 HD1 ARG 14 11.409 0.149 2.990 122 HE ARG 14 HE ARG 14 11.740 -1.779 0.836 123 HH11 ARG 14 HH11 ARG 14 11.117 -3.899 1.361 124 HH12 ARG 14 HH12 ARG 14 10.827 -4.327 3.013 125 HH21 ARG 14 HH21 ARG 14 11.543 -1.161 4.235 126 HH22 ARG 14 HH22 ARG 14 11.068 -2.777 4.640 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 7.145 1.216 3.148 2 HA2 GLY 1 HA2 GLY 1 7.550 0.276 5.599 3 HA3 GLY 1 HA1 GLY 1 5.802 0.478 5.638 4 H SER 2 HN SER 2 5.332 -0.198 2.885 5 HA SER 2 HA SER 2 6.447 -2.726 2.219 6 HB2 SER 2 HB2 SER 2 4.999 -3.212 4.306 7 HB3 SER 2 HB1 SER 2 3.624 -2.951 3.237 8 HG SER 2 HG SER 2 5.624 -4.929 3.162 9 H LYS 3 HN LYS 3 4.318 -3.904 0.906 10 HA LYS 3 HA LYS 3 3.299 -1.802 -0.899 11 HB2 LYS 3 HB2 LYS 3 4.757 -4.335 -1.660 12 HB3 LYS 3 HB1 LYS 3 3.755 -3.432 -2.795 13 HG2 LYS 3 HG2 LYS 3 5.325 -1.828 -3.061 14 HG3 LYS 3 HG1 LYS 3 5.605 -1.707 -1.324 15 HD2 LYS 3 HD2 LYS 3 6.666 -4.006 -2.978 16 HD3 LYS 3 HD1 LYS 3 7.586 -2.524 -2.720 17 HE2 LYS 3 HE2 LYS 3 8.121 -3.105 -0.601 18 HE3 LYS 3 HE1 LYS 3 6.467 -3.596 -0.236 19 HZ1 LYS 3 HZ1 LYS 3 8.701 -5.206 -0.912 20 HZ2 LYS 3 HZ2 LYS 3 7.431 -5.470 -2.009 21 HZ3 LYS 3 HZ3 LYS 3 7.175 -5.678 -0.343 22 H ARG 4 HN ARG 4 1.177 -1.919 -0.370 23 HA ARG 4 HA ARG 4 -0.201 -4.429 -1.000 24 HB2 ARG 4 HB2 ARG 4 -0.619 -2.911 1.588 25 HB3 ARG 4 HB1 ARG 4 -1.562 -4.298 1.046 26 HG2 ARG 4 HG2 ARG 4 0.730 -5.511 0.876 27 HG3 ARG 4 HG1 ARG 4 1.324 -4.205 1.903 28 HD2 ARG 4 HD2 ARG 4 -0.403 -4.725 3.579 29 HD3 ARG 4 HD1 ARG 4 -1.017 -6.019 2.554 30 HE ARG 4 HE ARG 4 0.699 -7.349 3.350 31 HH11 ARG 4 HH11 ARG 4 2.636 -7.752 4.466 32 HH12 ARG 4 HH12 ARG 4 3.610 -6.424 5.005 33 HH21 ARG 4 HH21 ARG 4 1.475 -4.000 3.746 34 HH22 ARG 4 HH22 ARG 4 2.953 -4.300 4.598 35 H PHE 5 HN PHE 5 -2.718 -3.910 -0.637 36 HA PHE 5 HA PHE 5 -3.315 -1.202 -1.616 37 HB2 PHE 5 HB2 PHE 5 -4.202 -3.763 -2.961 38 HB3 PHE 5 HB1 PHE 5 -4.801 -2.154 -3.362 39 HD1 PHE 5 HD1 PHE 5 -3.440 -0.564 -4.574 40 HD2 PHE 5 HD2 PHE 5 -1.843 -4.374 -3.397 41 HE1 PHE 5 HE1 PHE 5 -1.486 -0.203 -6.058 42 HE2 PHE 5 HE2 PHE 5 0.111 -4.013 -4.881 43 HZ PHE 5 HZ PHE 5 0.290 -1.928 -6.212 44 H ARG 6 HN ARG 6 -5.214 -0.380 -0.856 45 HA ARG 6 HA ARG 6 -7.109 -2.234 0.428 46 HB2 ARG 6 HB2 ARG 6 -5.988 0.251 1.756 47 HB3 ARG 6 HB1 ARG 6 -7.291 -0.747 2.392 48 HG2 ARG 6 HG2 ARG 6 -5.429 -2.664 1.974 49 HG3 ARG 6 HG1 ARG 6 -4.371 -1.290 2.284 50 HD2 ARG 6 HD2 ARG 6 -5.570 -0.841 4.392 51 HD3 ARG 6 HD1 ARG 6 -6.632 -2.210 4.083 52 HE ARG 6 HE ARG 6 -4.888 -3.655 4.670 53 HH11 ARG 6 HH11 ARG 6 -2.866 -4.045 5.627 54 HH12 ARG 6 HH12 ARG 6 -1.737 -2.745 5.816 55 HH21 ARG 6 HH21 ARG 6 -3.821 -0.375 4.382 56 HH22 ARG 6 HH22 ARG 6 -2.278 -0.669 5.110 57 HA DPR 7 HA DPR 7 -10.417 -0.372 -1.748 58 HB2 DPR 7 HB1 DPR 7 -8.458 0.266 -3.933 59 HB3 DPR 7 HB2 DPR 7 -10.122 -0.339 -4.059 60 HG2 DPR 7 HG1 DPR 7 -7.935 -1.935 -4.206 61 HG3 DPR 7 HG2 DPR 7 -9.499 -2.485 -3.585 62 HD2 DPR 7 HD1 DPR 7 -6.986 -2.102 -2.140 63 HD3 DPR 7 HD2 DPR 7 -8.491 -2.843 -1.560 64 HA PRO 8 HA PRO 8 -10.719 4.037 -1.292 65 HB2 PRO 8 HB2 PRO 8 -9.783 3.644 1.523 66 HB3 PRO 8 HB1 PRO 8 -11.191 4.532 0.919 67 HG2 PRO 8 HG2 PRO 8 -11.346 2.078 2.040 68 HG3 PRO 8 HG1 PRO 8 -12.489 2.681 0.832 69 HD2 PRO 8 HD2 PRO 8 -10.467 0.561 0.551 70 HD3 PRO 8 HD1 PRO 8 -11.834 0.958 -0.514 71 H ILE 9 HN ILE 9 -7.822 2.358 -0.178 72 HA ILE 9 HA ILE 9 -6.196 4.560 -1.204 73 HB ILE 9 HB ILE 9 -4.770 4.316 0.971 74 HG12 ILE 9 HG12 ILE 9 -7.341 3.910 2.381 75 HG13 ILE 9 HG11 ILE 9 -6.677 2.472 1.606 76 HG21 ILE 9 HG21 ILE 9 -5.982 6.367 0.248 77 HG22 ILE 9 HG22 ILE 9 -6.022 6.153 1.997 78 HG23 ILE 9 HG23 ILE 9 -7.440 5.755 1.030 79 HD11 ILE 9 HD11 ILE 9 -5.910 2.876 4.001 80 HD12 ILE 9 HD12 ILE 9 -5.023 4.271 3.385 81 HD13 ILE 9 HD13 ILE 9 -4.622 2.651 2.817 82 H ILE 10 HN ILE 10 -4.122 3.990 -1.793 83 HA ILE 10 HA ILE 10 -3.637 1.091 -1.957 84 HB ILE 10 HB ILE 10 -2.289 1.514 -3.870 85 HG12 ILE 10 HG12 ILE 10 -2.234 4.199 -4.427 86 HG13 ILE 10 HG11 ILE 10 -2.062 4.216 -2.674 87 HG21 ILE 10 HG21 ILE 10 -4.399 3.618 -4.229 88 HG22 ILE 10 HG22 ILE 10 -4.880 1.945 -3.944 89 HG23 ILE 10 HG23 ILE 10 -3.887 2.351 -5.344 90 HD11 ILE 10 HD11 ILE 10 0.160 4.035 -3.444 91 HD12 ILE 10 HD12 ILE 10 -0.282 2.909 -4.726 92 HD13 ILE 10 HD13 ILE 10 -0.269 2.372 -3.047 93 H PHE 11 HN PHE 11 -1.607 0.224 -1.398 94 HA PHE 11 HA PHE 11 0.001 1.946 0.393 95 HB2 PHE 11 HB2 PHE 11 -1.172 -0.686 0.741 96 HB3 PHE 11 HB1 PHE 11 0.571 -0.711 1.014 97 HD1 PHE 11 HD1 PHE 11 -2.647 0.301 2.312 98 HD2 PHE 11 HD2 PHE 11 1.585 0.977 2.618 99 HE1 PHE 11 HE1 PHE 11 -2.979 1.383 4.520 100 HE2 PHE 11 HE2 PHE 11 1.253 2.058 4.826 101 HZ PHE 11 HZ PHE 11 -1.029 2.260 5.776 102 H ASN 12 HN ASN 12 1.818 2.535 -0.601 103 HA ASN 12 HA ASN 12 3.374 0.461 -2.015 104 HB2 ASN 12 HB2 ASN 12 3.994 2.038 -3.734 105 HB3 ASN 12 HB1 ASN 12 2.234 1.988 -3.638 106 HD21 ASN 12 HD21 ASN 12 1.920 3.618 -1.266 107 HD22 ASN 12 HD22 ASN 12 2.395 5.204 -1.667 108 H GLU 13 HN GLU 13 5.153 0.154 -0.853 109 HA GLU 13 HA GLU 13 7.087 0.560 0.310 110 HB2 GLU 13 HB2 GLU 13 6.870 3.455 -0.506 111 HB3 GLU 13 HB1 GLU 13 8.325 2.513 -0.176 112 HG2 GLU 13 HG2 GLU 13 7.587 1.027 -2.153 113 HG3 GLU 13 HG1 GLU 13 6.490 2.345 -2.566 114 H ARG 14 HN ARG 14 7.516 3.407 1.401 115 HA ARG 14 HA ARG 14 7.317 4.326 3.507 116 HB2 ARG 14 HB2 ARG 14 4.617 4.138 2.320 117 HB3 ARG 14 HB1 ARG 14 4.662 4.423 4.061 118 HG2 ARG 14 HG2 ARG 14 6.015 6.390 3.789 119 HG3 ARG 14 HG1 ARG 14 6.292 6.034 2.083 120 HD2 ARG 14 HD2 ARG 14 3.450 6.144 2.724 121 HD3 ARG 14 HD1 ARG 14 4.270 7.653 3.118 122 HE ARG 14 HE ARG 14 3.879 6.533 0.460 123 HH11 ARG 14 HH11 ARG 14 4.512 7.894 -1.243 124 HH12 ARG 14 HH12 ARG 14 5.465 9.302 -0.913 125 HH21 ARG 14 HH21 ARG 14 5.593 8.736 2.506 126 HH22 ARG 14 HH22 ARG 14 6.077 9.778 1.211 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 8.852 0.243 1.735 2 HA2 GLY 1 HA2 GLY 1 10.010 -2.392 1.124 3 HA3 GLY 1 HA1 GLY 1 10.198 -1.747 2.752 4 H SER 2 HN SER 2 7.423 -1.553 0.540 5 HA SER 2 HA SER 2 5.880 -3.537 1.893 6 HB2 SER 2 HB2 SER 2 6.010 -1.350 3.421 7 HB3 SER 2 HB1 SER 2 4.712 -0.835 2.349 8 HG SER 2 HG SER 2 4.755 -3.368 3.617 9 H LYS 3 HN LYS 3 4.359 -4.227 0.521 10 HA LYS 3 HA LYS 3 3.314 -2.358 -1.513 11 HB2 LYS 3 HB2 LYS 3 4.307 -5.176 -2.007 12 HB3 LYS 3 HB1 LYS 3 3.450 -4.187 -3.188 13 HG2 LYS 3 HG2 LYS 3 5.419 -3.283 -3.791 14 HG3 LYS 3 HG1 LYS 3 5.544 -2.572 -2.183 15 HD2 LYS 3 HD2 LYS 3 7.529 -3.909 -2.578 16 HD3 LYS 3 HD1 LYS 3 6.538 -4.731 -1.373 17 HE2 LYS 3 HE2 LYS 3 5.628 -5.624 -3.903 18 HE3 LYS 3 HE1 LYS 3 7.390 -5.689 -3.951 19 HZ1 LYS 3 HZ1 LYS 3 6.322 -6.628 -1.469 20 HZ2 LYS 3 HZ2 LYS 3 7.424 -7.374 -2.525 21 HZ3 LYS 3 HZ3 LYS 3 5.752 -7.528 -2.789 22 H ARG 4 HN ARG 4 1.279 -2.164 -0.702 23 HA ARG 4 HA ARG 4 -0.425 -4.525 -0.866 24 HB2 ARG 4 HB2 ARG 4 -0.125 -2.914 1.679 25 HB3 ARG 4 HB1 ARG 4 -1.421 -4.069 1.381 26 HG2 ARG 4 HG2 ARG 4 0.408 -5.793 0.916 27 HG3 ARG 4 HG1 ARG 4 1.544 -4.622 1.588 28 HD2 ARG 4 HD2 ARG 4 1.023 -5.742 3.526 29 HD3 ARG 4 HD1 ARG 4 -0.282 -4.559 3.543 30 HE ARG 4 HE ARG 4 -1.787 -6.279 3.087 31 HH11 ARG 4 HH11 ARG 4 -2.321 -8.471 2.829 32 HH12 ARG 4 HH12 ARG 4 -1.071 -9.632 2.530 33 HH21 ARG 4 HH21 ARG 4 1.486 -7.290 2.596 34 HH22 ARG 4 HH22 ARG 4 1.085 -8.963 2.398 35 H PHE 5 HN PHE 5 -2.706 -3.984 -0.829 36 HA PHE 5 HA PHE 5 -3.223 -1.175 -1.612 37 HB2 PHE 5 HB2 PHE 5 -4.505 -3.723 -2.619 38 HB3 PHE 5 HB1 PHE 5 -5.053 -2.097 -3.029 39 HD1 PHE 5 HD1 PHE 5 -3.288 -0.477 -4.035 40 HD2 PHE 5 HD2 PHE 5 -2.805 -4.742 -3.878 41 HE1 PHE 5 HE1 PHE 5 -1.576 -0.349 -5.825 42 HE2 PHE 5 HE2 PHE 5 -1.094 -4.614 -5.668 43 HZ PHE 5 HZ PHE 5 -0.480 -2.418 -6.642 44 H ARG 6 HN ARG 6 -5.217 -0.254 -0.975 45 HA ARG 6 HA ARG 6 -6.797 -1.788 0.978 46 HB2 ARG 6 HB2 ARG 6 -5.382 0.818 1.513 47 HB3 ARG 6 HB1 ARG 6 -6.876 0.421 2.354 48 HG2 ARG 6 HG2 ARG 6 -4.710 -1.643 2.242 49 HG3 ARG 6 HG1 ARG 6 -4.537 -0.294 3.364 50 HD2 ARG 6 HD2 ARG 6 -7.166 -1.708 3.288 51 HD3 ARG 6 HD1 ARG 6 -5.815 -2.529 4.063 52 HE ARG 6 HE ARG 6 -7.267 -0.321 5.126 53 HH11 ARG 6 HH11 ARG 6 -6.487 0.618 7.041 54 HH12 ARG 6 HH12 ARG 6 -4.850 0.336 7.533 55 HH21 ARG 6 HH21 ARG 6 -4.097 -1.674 4.810 56 HH22 ARG 6 HH22 ARG 6 -3.498 -0.961 6.270 57 HA DPR 7 HA DPR 7 -10.458 -0.549 -1.067 58 HB2 DPR 7 HB1 DPR 7 -8.922 -0.636 -3.644 59 HB3 DPR 7 HB2 DPR 7 -10.547 -1.249 -3.282 60 HG2 DPR 7 HG1 DPR 7 -8.361 -2.828 -3.345 61 HG3 DPR 7 HG2 DPR 7 -9.739 -3.138 -2.277 62 HD2 DPR 7 HD1 DPR 7 -7.009 -2.275 -1.589 63 HD3 DPR 7 HD2 DPR 7 -8.283 -2.901 -0.522 64 HA PRO 8 HA PRO 8 -10.596 3.739 -2.230 65 HB2 PRO 8 HB2 PRO 8 -10.437 4.948 0.270 66 HB3 PRO 8 HB1 PRO 8 -11.920 4.292 -0.449 67 HG2 PRO 8 HG2 PRO 8 -10.101 3.096 1.572 68 HG3 PRO 8 HG1 PRO 8 -11.867 3.011 1.444 69 HD2 PRO 8 HD2 PRO 8 -10.287 0.930 0.714 70 HD3 PRO 8 HD1 PRO 8 -11.811 1.290 -0.127 71 H ILE 9 HN ILE 9 -7.886 2.472 -0.510 72 HA ILE 9 HA ILE 9 -6.228 4.626 -1.600 73 HB ILE 9 HB ILE 9 -4.981 4.631 0.676 74 HG12 ILE 9 HG12 ILE 9 -7.639 4.123 1.904 75 HG13 ILE 9 HG11 ILE 9 -6.767 2.702 1.332 76 HG21 ILE 9 HG21 ILE 9 -7.728 5.886 0.384 77 HG22 ILE 9 HG22 ILE 9 -6.222 6.549 -0.251 78 HG23 ILE 9 HG23 ILE 9 -6.467 6.428 1.492 79 HD11 ILE 9 HD11 ILE 9 -5.350 4.774 2.988 80 HD12 ILE 9 HD12 ILE 9 -4.953 3.069 2.771 81 HD13 ILE 9 HD13 ILE 9 -6.333 3.534 3.766 82 H ILE 10 HN ILE 10 -4.090 4.070 -1.972 83 HA ILE 10 HA ILE 10 -3.568 1.178 -1.962 84 HB ILE 10 HB ILE 10 -1.991 1.570 -3.702 85 HG12 ILE 10 HG12 ILE 10 -1.878 4.246 -4.298 86 HG13 ILE 10 HG11 ILE 10 -1.920 4.293 -2.538 87 HG21 ILE 10 HG21 ILE 10 -3.518 2.089 -5.294 88 HG22 ILE 10 HG22 ILE 10 -3.840 3.676 -4.597 89 HG23 ILE 10 HG23 ILE 10 -4.644 2.248 -3.946 90 HD11 ILE 10 HD11 ILE 10 -0.089 2.452 -2.661 91 HD12 ILE 10 HD12 ILE 10 0.379 4.112 -3.028 92 HD13 ILE 10 HD13 ILE 10 0.100 2.965 -4.337 93 H PHE 11 HN PHE 11 -1.627 0.318 -1.151 94 HA PHE 11 HA PHE 11 -0.194 2.075 0.753 95 HB2 PHE 11 HB2 PHE 11 -1.498 -0.493 1.100 96 HB3 PHE 11 HB1 PHE 11 0.209 -0.573 1.538 97 HD1 PHE 11 HD1 PHE 11 -2.436 2.081 1.817 98 HD2 PHE 11 HD2 PHE 11 0.504 -0.315 3.839 99 HE1 PHE 11 HE1 PHE 11 -2.928 3.266 3.939 100 HE2 PHE 11 HE2 PHE 11 0.010 0.871 5.959 101 HZ PHE 11 HZ PHE 11 -1.705 2.661 6.010 102 H ASN 12 HN ASN 12 1.586 2.626 -0.424 103 HA ASN 12 HA ASN 12 3.314 0.396 -1.316 104 HB2 ASN 12 HB2 ASN 12 2.800 3.033 -2.703 105 HB3 ASN 12 HB1 ASN 12 4.118 1.942 -3.123 106 HD21 ASN 12 HD21 ASN 12 1.815 -0.168 -2.165 107 HD22 ASN 12 HD22 ASN 12 1.003 -0.424 -3.639 108 H GLU 13 HN GLU 13 5.238 0.388 -0.360 109 HA GLU 13 HA GLU 13 6.448 2.929 0.483 110 HB2 GLU 13 HB2 GLU 13 5.124 1.523 2.342 111 HB3 GLU 13 HB1 GLU 13 6.666 0.668 2.401 112 HG2 GLU 13 HG2 GLU 13 6.897 2.429 3.974 113 HG3 GLU 13 HG1 GLU 13 7.758 2.990 2.541 114 H ARG 14 HN ARG 14 8.716 2.869 0.648 115 HA ARG 14 HA ARG 14 10.150 1.474 -1.204 116 HB2 ARG 14 HB2 ARG 14 10.849 2.853 1.315 117 HB3 ARG 14 HB1 ARG 14 12.035 1.676 0.754 118 HG2 ARG 14 HG2 ARG 14 12.358 2.792 -1.298 119 HG3 ARG 14 HG1 ARG 14 10.857 3.704 -1.142 120 HD2 ARG 14 HD2 ARG 14 11.819 4.925 0.790 121 HD3 ARG 14 HD1 ARG 14 13.328 4.042 0.580 122 HE ARG 14 HE ARG 14 13.007 5.142 -1.854 123 HH11 ARG 14 HH11 ARG 14 13.628 7.246 -2.439 124 HH12 ARG 14 HH12 ARG 14 13.695 8.490 -1.236 125 HH21 ARG 14 HH21 ARG 14 12.691 6.410 1.351 126 HH22 ARG 14 HH22 ARG 14 13.165 8.017 0.910 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 9.260 -0.354 -0.486 2 HA2 GLY 1 HA2 GLY 1 10.711 -2.318 -0.327 3 HA3 GLY 1 HA1 GLY 1 10.750 -2.067 1.415 4 H SER 2 HN SER 2 7.732 -1.305 0.938 5 HA SER 2 HA SER 2 6.674 -4.042 0.687 6 HB2 SER 2 HB2 SER 2 7.022 -2.902 3.146 7 HB3 SER 2 HB1 SER 2 5.379 -2.399 2.761 8 HG SER 2 HG SER 2 5.904 -4.997 2.096 9 H LYS 3 HN LYS 3 4.617 -4.175 -0.170 10 HA LYS 3 HA LYS 3 3.237 -1.649 -0.800 11 HB2 LYS 3 HB2 LYS 3 3.778 -3.857 -2.800 12 HB3 LYS 3 HB1 LYS 3 2.849 -2.388 -3.099 13 HG2 LYS 3 HG2 LYS 3 4.870 -1.037 -2.552 14 HG3 LYS 3 HG1 LYS 3 5.789 -2.532 -2.369 15 HD2 LYS 3 HD2 LYS 3 4.422 -2.702 -4.854 16 HD3 LYS 3 HD1 LYS 3 5.167 -1.105 -4.784 17 HE2 LYS 3 HE2 LYS 3 6.552 -3.770 -4.384 18 HE3 LYS 3 HE1 LYS 3 6.782 -2.650 -5.725 19 HZ1 LYS 3 HZ1 LYS 3 7.153 -1.429 -3.157 20 HZ2 LYS 3 HZ2 LYS 3 8.155 -1.396 -4.528 21 HZ3 LYS 3 HZ3 LYS 3 8.241 -2.699 -3.440 22 H ARG 4 HN ARG 4 1.154 -1.741 -0.298 23 HA ARG 4 HA ARG 4 -0.227 -4.346 -0.346 24 HB2 ARG 4 HB2 ARG 4 0.421 -2.824 1.994 25 HB3 ARG 4 HB1 ARG 4 -1.328 -2.800 1.767 26 HG2 ARG 4 HG2 ARG 4 -0.687 -4.755 3.100 27 HG3 ARG 4 HG1 ARG 4 -1.319 -5.270 1.537 28 HD2 ARG 4 HD2 ARG 4 1.581 -4.787 1.524 29 HD3 ARG 4 HD1 ARG 4 1.089 -6.076 2.618 30 HE ARG 4 HE ARG 4 0.910 -6.100 -0.284 31 HH11 ARG 4 HH11 ARG 4 0.265 -8.085 -1.179 32 HH12 ARG 4 HH12 ARG 4 -0.403 -9.314 -0.158 33 HH21 ARG 4 HH21 ARG 4 -0.137 -7.424 2.738 34 HH22 ARG 4 HH22 ARG 4 -0.630 -8.940 2.060 35 H PHE 5 HN PHE 5 -2.716 -3.678 0.306 36 HA PHE 5 HA PHE 5 -3.455 -1.377 -1.387 37 HB2 PHE 5 HB2 PHE 5 -5.313 -3.625 -1.564 38 HB3 PHE 5 HB1 PHE 5 -4.626 -2.629 -2.847 39 HD1 PHE 5 HD1 PHE 5 -4.140 -5.627 -0.753 40 HD2 PHE 5 HD2 PHE 5 -2.542 -3.240 -3.948 41 HE1 PHE 5 HE1 PHE 5 -2.567 -7.455 -1.333 42 HE2 PHE 5 HE2 PHE 5 -0.969 -5.069 -4.526 43 HZ PHE 5 HZ PHE 5 -0.982 -7.176 -3.218 44 H ARG 6 HN ARG 6 -5.350 -0.310 -0.815 45 HA ARG 6 HA ARG 6 -6.843 -1.331 1.496 46 HB2 ARG 6 HB2 ARG 6 -5.209 1.177 1.465 47 HB3 ARG 6 HB1 ARG 6 -6.753 1.197 2.312 48 HG2 ARG 6 HG2 ARG 6 -4.659 -0.946 2.758 49 HG3 ARG 6 HG1 ARG 6 -4.738 0.528 3.721 50 HD2 ARG 6 HD2 ARG 6 -6.306 -0.418 5.022 51 HD3 ARG 6 HD1 ARG 6 -7.373 -0.571 3.631 52 HE ARG 6 HE ARG 6 -6.929 -2.833 3.692 53 HH11 ARG 6 HH11 ARG 6 -5.733 -4.687 4.226 54 HH12 ARG 6 HH12 ARG 6 -4.187 -4.524 4.989 55 HH21 ARG 6 HH21 ARG 6 -4.284 -1.058 5.044 56 HH22 ARG 6 HH22 ARG 6 -3.366 -2.469 5.453 57 HA DPR 7 HA DPR 7 -10.556 -0.338 -0.578 58 HB2 DPR 7 HB1 DPR 7 -9.193 -1.092 -3.141 59 HB3 DPR 7 HB2 DPR 7 -10.812 -1.522 -2.559 60 HG2 DPR 7 HG1 DPR 7 -8.687 -3.182 -2.383 61 HG3 DPR 7 HG2 DPR 7 -10.012 -3.183 -1.209 62 HD2 DPR 7 HD1 DPR 7 -7.217 -2.329 -0.857 63 HD3 DPR 7 HD2 DPR 7 -8.456 -2.636 0.380 64 HA PRO 8 HA PRO 8 -10.551 3.577 -2.683 65 HB2 PRO 8 HB2 PRO 8 -10.158 5.303 -0.532 66 HB3 PRO 8 HB1 PRO 8 -11.720 4.616 -1.016 67 HG2 PRO 8 HG2 PRO 8 -9.863 3.774 1.142 68 HG3 PRO 8 HG1 PRO 8 -11.636 3.782 1.110 69 HD2 PRO 8 HD2 PRO 8 -10.217 1.489 0.806 70 HD3 PRO 8 HD1 PRO 8 -11.764 1.753 -0.027 71 H ILE 9 HN ILE 9 -7.847 2.754 -0.608 72 HA ILE 9 HA ILE 9 -6.115 4.449 -2.296 73 HB ILE 9 HB ILE 9 -4.746 4.851 -0.169 74 HG12 ILE 9 HG12 ILE 9 -7.241 4.610 1.398 75 HG13 ILE 9 HG11 ILE 9 -6.502 3.075 0.937 76 HG21 ILE 9 HG21 ILE 9 -6.807 6.493 0.587 77 HG22 ILE 9 HG22 ILE 9 -7.265 6.093 -1.068 78 HG23 ILE 9 HG23 ILE 9 -5.698 6.834 -0.740 79 HD11 ILE 9 HD11 ILE 9 -4.859 5.303 2.136 80 HD12 ILE 9 HD12 ILE 9 -4.474 3.584 2.043 81 HD13 ILE 9 HD13 ILE 9 -5.721 4.150 3.156 82 H ILE 10 HN ILE 10 -4.056 3.688 -2.681 83 HA ILE 10 HA ILE 10 -3.673 0.830 -2.123 84 HB ILE 10 HB ILE 10 -2.205 0.773 -3.991 85 HG12 ILE 10 HG12 ILE 10 -1.970 3.264 -5.109 86 HG13 ILE 10 HG11 ILE 10 -1.906 3.662 -3.396 87 HG21 ILE 10 HG21 ILE 10 -4.827 1.624 -4.211 88 HG22 ILE 10 HG22 ILE 10 -3.825 1.047 -5.541 89 HG23 ILE 10 HG23 ILE 10 -3.953 2.776 -5.220 90 HD11 ILE 10 HD11 ILE 10 -0.066 1.885 -4.987 91 HD12 ILE 10 HD12 ILE 10 -0.195 1.700 -3.239 92 HD13 ILE 10 HD13 ILE 10 0.346 3.231 -3.926 93 H PHE 11 HN PHE 11 -1.706 0.038 -1.265 94 HA PHE 11 HA PHE 11 -0.249 2.030 0.348 95 HB2 PHE 11 HB2 PHE 11 -1.372 -0.485 0.981 96 HB3 PHE 11 HB1 PHE 11 0.380 -0.677 1.054 97 HD1 PHE 11 HD1 PHE 11 -2.271 1.786 2.046 98 HD2 PHE 11 HD2 PHE 11 1.468 -0.086 3.035 99 HE1 PHE 11 HE1 PHE 11 -2.234 3.001 4.208 100 HE2 PHE 11 HE2 PHE 11 1.504 1.129 5.196 101 HZ PHE 11 HZ PHE 11 -0.346 2.672 5.784 102 H ASN 12 HN ASN 12 1.765 2.529 -0.176 103 HA ASN 12 HA ASN 12 3.423 0.550 -1.595 104 HB2 ASN 12 HB2 ASN 12 4.328 2.500 -2.957 105 HB3 ASN 12 HB1 ASN 12 2.705 1.957 -3.373 106 HD21 ASN 12 HD21 ASN 12 3.270 3.797 -0.411 107 HD22 ASN 12 HD22 ASN 12 2.510 5.224 -0.944 108 H GLU 13 HN GLU 13 4.272 0.298 0.603 109 HA GLU 13 HA GLU 13 5.709 2.537 1.765 110 HB2 GLU 13 HB2 GLU 13 4.524 0.362 2.868 111 HB3 GLU 13 HB1 GLU 13 6.197 -0.192 2.792 112 HG2 GLU 13 HG2 GLU 13 6.801 2.101 3.816 113 HG3 GLU 13 HG1 GLU 13 5.088 2.228 4.212 114 H ARG 14 HN ARG 14 7.964 2.636 2.062 115 HA ARG 14 HA ARG 14 9.536 1.881 -0.145 116 HB2 ARG 14 HB2 ARG 14 10.019 3.748 1.502 117 HB3 ARG 14 HB1 ARG 14 10.594 2.506 2.617 118 HG2 ARG 14 HG2 ARG 14 12.150 1.721 0.775 119 HG3 ARG 14 HG1 ARG 14 11.697 3.171 -0.123 120 HD2 ARG 14 HD2 ARG 14 13.310 2.916 2.379 121 HD3 ARG 14 HD1 ARG 14 13.555 3.971 0.991 122 HE ARG 14 HE ARG 14 11.264 4.941 2.070 123 HH11 ARG 14 HH11 ARG 14 11.190 6.494 3.725 124 HH12 ARG 14 HH12 ARG 14 12.513 6.635 4.833 125 HH21 ARG 14 HH21 ARG 14 14.358 4.091 3.367 126 HH22 ARG 14 HH22 ARG 14 14.306 5.274 4.632 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 8.899 -0.851 0.055 2 HA2 GLY 1 HA2 GLY 1 10.106 -2.673 1.344 3 HA3 GLY 1 HA1 GLY 1 9.826 -1.650 2.750 4 H SER 2 HN SER 2 7.178 -0.824 1.582 5 HA SER 2 HA SER 2 5.668 -3.289 2.228 6 HB2 SER 2 HB2 SER 2 4.767 -0.455 2.754 7 HB3 SER 2 HB1 SER 2 4.005 -1.942 3.308 8 HG SER 2 HG SER 2 5.464 -2.124 4.834 9 H LYS 3 HN LYS 3 4.319 -3.996 0.704 10 HA LYS 3 HA LYS 3 3.280 -2.091 -1.290 11 HB2 LYS 3 HB2 LYS 3 4.509 -4.784 -1.928 12 HB3 LYS 3 HB1 LYS 3 3.721 -3.712 -3.086 13 HG2 LYS 3 HG2 LYS 3 5.387 -1.969 -2.652 14 HG3 LYS 3 HG1 LYS 3 6.156 -2.985 -1.432 15 HD2 LYS 3 HD2 LYS 3 5.785 -4.143 -4.160 16 HD3 LYS 3 HD1 LYS 3 7.044 -2.924 -3.950 17 HE2 LYS 3 HE2 LYS 3 6.754 -5.440 -2.281 18 HE3 LYS 3 HE1 LYS 3 7.926 -5.209 -3.580 19 HZ1 LYS 3 HZ1 LYS 3 8.717 -3.219 -2.308 20 HZ2 LYS 3 HZ2 LYS 3 9.027 -4.718 -1.568 21 HZ3 LYS 3 HZ3 LYS 3 7.754 -3.739 -1.012 22 H ARG 4 HN ARG 4 1.186 -2.135 -0.630 23 HA ARG 4 HA ARG 4 -0.247 -4.661 -0.998 24 HB2 ARG 4 HB2 ARG 4 0.141 -3.299 1.583 25 HB3 ARG 4 HB1 ARG 4 -1.537 -3.690 1.211 26 HG2 ARG 4 HG2 ARG 4 0.670 -5.725 0.880 27 HG3 ARG 4 HG1 ARG 4 -0.145 -5.493 2.426 28 HD2 ARG 4 HD2 ARG 4 -1.991 -5.720 0.149 29 HD3 ARG 4 HD1 ARG 4 -1.019 -7.164 0.416 30 HE ARG 4 HE ARG 4 -3.059 -6.089 2.193 31 HH11 ARG 4 HH11 ARG 4 -3.577 -7.428 3.954 32 HH12 ARG 4 HH12 ARG 4 -2.559 -8.775 4.339 33 HH21 ARG 4 HH21 ARG 4 -0.331 -8.172 1.752 34 HH22 ARG 4 HH22 ARG 4 -0.722 -9.197 3.093 35 H PHE 5 HN PHE 5 -2.740 -4.052 -0.450 36 HA PHE 5 HA PHE 5 -3.339 -1.445 -1.687 37 HB2 PHE 5 HB2 PHE 5 -5.156 -3.576 -2.518 38 HB3 PHE 5 HB1 PHE 5 -4.359 -2.336 -3.485 39 HD1 PHE 5 HD1 PHE 5 -4.477 -5.802 -2.772 40 HD2 PHE 5 HD2 PHE 5 -1.748 -2.642 -3.784 41 HE1 PHE 5 HE1 PHE 5 -2.841 -7.477 -3.586 42 HE2 PHE 5 HE2 PHE 5 -0.112 -4.318 -4.599 43 HZ PHE 5 HZ PHE 5 -0.657 -6.735 -4.500 44 H ARG 6 HN ARG 6 -5.139 -0.423 -0.889 45 HA ARG 6 HA ARG 6 -6.907 -1.955 0.897 46 HB2 ARG 6 HB2 ARG 6 -5.551 0.641 1.674 47 HB3 ARG 6 HB1 ARG 6 -6.794 -0.184 2.611 48 HG2 ARG 6 HG2 ARG 6 -5.331 -2.184 2.759 49 HG3 ARG 6 HG1 ARG 6 -4.077 -1.311 1.877 50 HD2 ARG 6 HD2 ARG 6 -3.353 -0.533 3.861 51 HD3 ARG 6 HD1 ARG 6 -4.827 0.429 3.935 52 HE ARG 6 HE ARG 6 -5.559 -0.990 5.606 53 HH11 ARG 6 HH11 ARG 6 -5.507 -2.874 6.872 54 HH12 ARG 6 HH12 ARG 6 -4.451 -4.175 6.436 55 HH21 ARG 6 HH21 ARG 6 -3.175 -2.557 3.647 56 HH22 ARG 6 HH22 ARG 6 -3.130 -3.996 4.611 57 HA DPR 7 HA DPR 7 -10.362 -0.259 -1.193 58 HB2 DPR 7 HB1 DPR 7 -8.648 -0.047 -3.649 59 HB3 DPR 7 HB2 DPR 7 -10.337 -0.574 -3.502 60 HG2 DPR 7 HG1 DPR 7 -8.262 -2.298 -3.655 61 HG3 DPR 7 HG2 DPR 7 -9.746 -2.655 -2.757 62 HD2 DPR 7 HD1 DPR 7 -7.041 -2.165 -1.734 63 HD3 DPR 7 HD2 DPR 7 -8.461 -2.781 -0.864 64 HA PRO 8 HA PRO 8 -10.464 4.192 -1.547 65 HB2 PRO 8 HB2 PRO 8 -9.511 4.194 1.291 66 HB3 PRO 8 HB1 PRO 8 -10.866 5.072 0.558 67 HG2 PRO 8 HG2 PRO 8 -11.186 2.853 2.054 68 HG3 PRO 8 HG1 PRO 8 -12.284 3.313 0.742 69 HD2 PRO 8 HD2 PRO 8 -10.377 1.066 0.849 70 HD3 PRO 8 HD1 PRO 8 -11.733 1.340 -0.269 71 H ILE 9 HN ILE 9 -7.641 2.545 -0.234 72 HA ILE 9 HA ILE 9 -5.929 4.513 -1.558 73 HB ILE 9 HB ILE 9 -4.466 4.514 0.576 74 HG12 ILE 9 HG12 ILE 9 -6.893 4.314 2.207 75 HG13 ILE 9 HG11 ILE 9 -6.441 2.781 1.465 76 HG21 ILE 9 HG21 ILE 9 -7.143 5.938 0.582 77 HG22 ILE 9 HG22 ILE 9 -5.712 6.473 -0.300 78 HG23 ILE 9 HG23 ILE 9 -5.700 6.439 1.463 79 HD11 ILE 9 HD11 ILE 9 -5.382 3.265 3.736 80 HD12 ILE 9 HD12 ILE 9 -4.449 4.523 2.925 81 HD13 ILE 9 HD13 ILE 9 -4.262 2.838 2.442 82 H ILE 10 HN ILE 10 -3.882 3.779 -2.088 83 HA ILE 10 HA ILE 10 -3.565 0.858 -1.956 84 HB ILE 10 HB ILE 10 -1.974 1.137 -3.830 85 HG12 ILE 10 HG12 ILE 10 -2.782 3.894 -4.439 86 HG13 ILE 10 HG11 ILE 10 -1.790 3.780 -2.988 87 HG21 ILE 10 HG21 ILE 10 -4.018 2.558 -5.158 88 HG22 ILE 10 HG22 ILE 10 -4.809 1.683 -3.846 89 HG23 ILE 10 HG23 ILE 10 -3.841 0.807 -5.033 90 HD11 ILE 10 HD11 ILE 10 -1.046 2.425 -5.585 91 HD12 ILE 10 HD12 ILE 10 -0.026 2.675 -4.168 92 HD13 ILE 10 HD13 ILE 10 -0.504 4.050 -5.164 93 H PHE 11 HN PHE 11 -1.613 -0.085 -1.286 94 HA PHE 11 HA PHE 11 0.022 1.657 0.441 95 HB2 PHE 11 HB2 PHE 11 -1.090 -0.974 0.757 96 HB3 PHE 11 HB1 PHE 11 0.668 -1.060 0.867 97 HD1 PHE 11 HD1 PHE 11 1.716 -0.515 2.888 98 HD2 PHE 11 HD2 PHE 11 -2.226 0.992 2.082 99 HE1 PHE 11 HE1 PHE 11 1.617 0.449 5.170 100 HE2 PHE 11 HE2 PHE 11 -2.325 1.956 4.364 101 HZ PHE 11 HZ PHE 11 -0.403 1.684 5.909 102 H ASN 12 HN ASN 12 1.707 2.417 -0.706 103 HA ASN 12 HA ASN 12 3.476 0.433 -1.973 104 HB2 ASN 12 HB2 ASN 12 2.157 2.765 -3.256 105 HB3 ASN 12 HB1 ASN 12 3.853 2.495 -3.648 106 HD21 ASN 12 HD21 ASN 12 1.338 0.026 -2.941 107 HD22 ASN 12 HD22 ASN 12 1.453 -0.736 -4.459 108 H GLU 13 HN GLU 13 4.642 0.728 0.047 109 HA GLU 13 HA GLU 13 6.165 3.266 0.141 110 HB2 GLU 13 HB2 GLU 13 4.734 1.853 2.186 111 HB3 GLU 13 HB1 GLU 13 6.453 1.855 2.582 112 HG2 GLU 13 HG2 GLU 13 6.552 4.278 2.327 113 HG3 GLU 13 HG1 GLU 13 4.870 4.319 1.804 114 H ARG 14 HN ARG 14 8.404 3.137 0.606 115 HA ARG 14 HA ARG 14 9.819 1.130 -0.730 116 HB2 ARG 14 HB2 ARG 14 10.760 3.353 -0.231 117 HB3 ARG 14 HB1 ARG 14 10.815 2.941 1.484 118 HG2 ARG 14 HG2 ARG 14 12.396 1.162 1.077 119 HG3 ARG 14 HG1 ARG 14 12.219 1.338 -0.669 120 HD2 ARG 14 HD2 ARG 14 14.254 2.468 0.596 121 HD3 ARG 14 HD1 ARG 14 13.455 3.295 -0.739 122 HE ARG 14 HE ARG 14 12.351 3.866 1.889 123 HH11 ARG 14 HH11 ARG 14 12.547 6.029 2.553 124 HH12 ARG 14 HH12 ARG 14 13.595 7.103 1.689 125 HH21 ARG 14 HH21 ARG 14 14.610 4.699 -0.595 126 HH22 ARG 14 HH22 ARG 14 14.764 6.350 -0.094 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 9.403 0.745 -2.596 2 HA2 GLY 1 HA2 GLY 1 9.428 -0.991 -4.175 3 HA3 GLY 1 HA1 GLY 1 9.887 -2.117 -2.898 4 H SER 2 HN SER 2 7.198 0.179 -2.871 5 HA SER 2 HA SER 2 4.907 -0.154 -2.990 6 HB2 SER 2 HB2 SER 2 4.044 -2.029 -3.987 7 HB3 SER 2 HB1 SER 2 5.716 -2.215 -4.502 8 HG SER 2 HG SER 2 4.247 -3.800 -2.923 9 H LYS 3 HN LYS 3 3.409 -2.227 -1.805 10 HA LYS 3 HA LYS 3 4.378 -3.047 0.719 11 HB2 LYS 3 HB2 LYS 3 4.329 -0.643 1.240 12 HB3 LYS 3 HB1 LYS 3 2.633 -0.577 0.776 13 HG2 LYS 3 HG2 LYS 3 1.964 -1.401 2.765 14 HG3 LYS 3 HG1 LYS 3 3.131 -2.721 2.679 15 HD2 LYS 3 HD2 LYS 3 3.904 0.109 3.422 16 HD3 LYS 3 HD1 LYS 3 3.465 -1.111 4.617 17 HE2 LYS 3 HE2 LYS 3 5.402 -2.134 2.690 18 HE3 LYS 3 HE1 LYS 3 6.008 -0.713 3.541 19 HZ1 LYS 3 HZ1 LYS 3 5.683 -3.344 4.505 20 HZ2 LYS 3 HZ2 LYS 3 4.725 -2.285 5.427 21 HZ3 LYS 3 HZ3 LYS 3 6.394 -2.010 5.273 22 H ARG 4 HN ARG 4 1.204 -1.564 0.134 23 HA ARG 4 HA ARG 4 -0.018 -4.151 -0.407 24 HB2 ARG 4 HB2 ARG 4 -0.598 -2.609 2.131 25 HB3 ARG 4 HB1 ARG 4 -1.615 -3.908 1.514 26 HG2 ARG 4 HG2 ARG 4 0.509 -5.355 1.513 27 HG3 ARG 4 HG1 ARG 4 1.240 -4.078 2.485 28 HD2 ARG 4 HD2 ARG 4 0.273 -5.861 3.903 29 HD3 ARG 4 HD1 ARG 4 -0.522 -4.312 4.168 30 HE ARG 4 HE ARG 4 -2.477 -5.269 3.382 31 HH11 ARG 4 HH11 ARG 4 -3.710 -6.917 2.424 32 HH12 ARG 4 HH12 ARG 4 -2.915 -8.242 1.639 33 HH21 ARG 4 HH21 ARG 4 0.278 -7.065 2.305 34 HH22 ARG 4 HH22 ARG 4 -0.657 -8.325 1.572 35 H PHE 5 HN PHE 5 -2.587 -3.721 -0.184 36 HA PHE 5 HA PHE 5 -3.224 -1.101 -1.367 37 HB2 PHE 5 HB2 PHE 5 -4.679 -3.313 -2.611 38 HB3 PHE 5 HB1 PHE 5 -3.878 -1.930 -3.358 39 HD1 PHE 5 HD1 PHE 5 -3.697 -5.448 -2.723 40 HD2 PHE 5 HD2 PHE 5 -1.286 -1.968 -3.446 41 HE1 PHE 5 HE1 PHE 5 -1.799 -6.900 -3.383 42 HE2 PHE 5 HE2 PHE 5 0.613 -3.420 -4.107 43 HZ PHE 5 HZ PHE 5 0.356 -5.887 -4.074 44 H ARG 6 HN ARG 6 -5.218 -0.310 -0.814 45 HA ARG 6 HA ARG 6 -7.073 -2.114 0.597 46 HB2 ARG 6 HB2 ARG 6 -5.845 0.396 1.727 47 HB3 ARG 6 HB1 ARG 6 -7.445 -0.131 2.238 48 HG2 ARG 6 HG2 ARG 6 -5.242 -2.153 2.205 49 HG3 ARG 6 HG1 ARG 6 -5.269 -0.965 3.507 50 HD2 ARG 6 HD2 ARG 6 -7.295 -1.729 4.350 51 HD3 ARG 6 HD1 ARG 6 -7.802 -2.404 2.806 52 HE ARG 6 HE ARG 6 -6.705 -4.373 3.367 53 HH11 ARG 6 HH11 ARG 6 -5.494 -5.693 4.763 54 HH12 ARG 6 HH12 ARG 6 -4.654 -4.986 6.102 55 HH21 ARG 6 HH21 ARG 6 -5.689 -1.755 5.390 56 HH22 ARG 6 HH22 ARG 6 -4.765 -2.757 6.457 57 HA DPR 7 HA DPR 7 -10.309 -0.607 -1.968 58 HB2 DPR 7 HB1 DPR 7 -8.251 0.012 -4.067 59 HB3 DPR 7 HB2 DPR 7 -9.872 -0.684 -4.259 60 HG2 DPR 7 HG1 DPR 7 -7.635 -2.187 -4.195 61 HG3 DPR 7 HG2 DPR 7 -9.189 -2.760 -3.571 62 HD2 DPR 7 HD1 DPR 7 -6.736 -2.088 -2.102 63 HD3 DPR 7 HD2 DPR 7 -8.179 -2.942 -1.519 64 HA PRO 8 HA PRO 8 -10.854 3.817 -1.859 65 HB2 PRO 8 HB2 PRO 8 -10.220 3.623 1.058 66 HB3 PRO 8 HB1 PRO 8 -11.587 4.413 0.255 67 HG2 PRO 8 HG2 PRO 8 -11.779 2.027 1.501 68 HG3 PRO 8 HG1 PRO 8 -12.791 2.498 0.127 69 HD2 PRO 8 HD2 PRO 8 -10.650 0.476 0.230 70 HD3 PRO 8 HD1 PRO 8 -11.912 0.717 -0.999 71 H ILE 9 HN ILE 9 -8.035 2.312 -0.397 72 HA ILE 9 HA ILE 9 -6.409 4.586 -1.277 73 HB ILE 9 HB ILE 9 -5.172 4.339 1.011 74 HG12 ILE 9 HG12 ILE 9 -7.868 3.791 2.132 75 HG13 ILE 9 HG11 ILE 9 -7.023 2.404 1.443 76 HG21 ILE 9 HG21 ILE 9 -6.637 6.090 1.961 77 HG22 ILE 9 HG22 ILE 9 -7.877 5.691 0.774 78 HG23 ILE 9 HG23 ILE 9 -6.338 6.371 0.247 79 HD11 ILE 9 HD11 ILE 9 -5.168 2.671 2.909 80 HD12 ILE 9 HD12 ILE 9 -6.592 2.885 3.928 81 HD13 ILE 9 HD13 ILE 9 -5.679 4.292 3.382 82 H ILE 10 HN ILE 10 -4.274 4.096 -1.710 83 HA ILE 10 HA ILE 10 -3.668 1.216 -1.855 84 HB ILE 10 HB ILE 10 -2.228 1.696 -3.685 85 HG12 ILE 10 HG12 ILE 10 -2.232 4.380 -4.236 86 HG13 ILE 10 HG11 ILE 10 -2.173 4.402 -2.477 87 HG21 ILE 10 HG21 ILE 10 -3.782 2.416 -5.238 88 HG22 ILE 10 HG22 ILE 10 -4.345 3.740 -4.218 89 HG23 ILE 10 HG23 ILE 10 -4.846 2.085 -3.872 90 HD11 ILE 10 HD11 ILE 10 -0.217 3.174 -4.411 91 HD12 ILE 10 HD12 ILE 10 -0.295 2.618 -2.740 92 HD13 ILE 10 HD13 ILE 10 0.098 4.300 -3.092 93 H PHE 11 HN PHE 11 -1.640 0.433 -1.183 94 HA PHE 11 HA PHE 11 -0.180 2.217 0.674 95 HB2 PHE 11 HB2 PHE 11 -1.387 -0.366 1.067 96 HB3 PHE 11 HB1 PHE 11 0.355 -0.480 1.313 97 HD1 PHE 11 HD1 PHE 11 1.483 1.083 2.933 98 HD2 PHE 11 HD2 PHE 11 -2.790 0.772 2.616 99 HE1 PHE 11 HE1 PHE 11 1.240 2.184 5.143 100 HE2 PHE 11 HE2 PHE 11 -3.034 1.874 4.826 101 HZ PHE 11 HZ PHE 11 -1.019 2.579 6.089 102 H ASN 12 HN ASN 12 1.719 2.786 -0.200 103 HA ASN 12 HA ASN 12 3.344 0.679 -1.465 104 HB2 ASN 12 HB2 ASN 12 3.987 2.151 -3.276 105 HB3 ASN 12 HB1 ASN 12 2.229 2.024 -3.240 106 HD21 ASN 12 HD21 ASN 12 1.805 3.812 -0.971 107 HD22 ASN 12 HD22 ASN 12 2.198 5.384 -1.496 108 H GLU 13 HN GLU 13 5.331 0.597 -0.665 109 HA GLU 13 HA GLU 13 6.535 3.044 0.458 110 HB2 GLU 13 HB2 GLU 13 5.521 1.200 2.124 111 HB3 GLU 13 HB1 GLU 13 7.099 0.471 1.835 112 HG2 GLU 13 HG2 GLU 13 7.550 1.871 3.650 113 HG3 GLU 13 HG1 GLU 13 8.002 2.891 2.285 114 H ARG 14 HN ARG 14 8.838 1.476 1.389 115 HA ARG 14 HA ARG 14 10.522 1.669 -0.817 116 HB2 ARG 14 HB2 ARG 14 11.221 1.422 1.604 117 HB3 ARG 14 HB1 ARG 14 10.897 -0.304 1.445 118 HG2 ARG 14 HG2 ARG 14 13.029 -0.476 0.708 119 HG3 ARG 14 HG1 ARG 14 12.436 0.243 -0.790 120 HD2 ARG 14 HD2 ARG 14 13.754 1.630 1.546 121 HD3 ARG 14 HD1 ARG 14 14.276 1.601 -0.136 122 HE ARG 14 HE ARG 14 12.210 3.300 1.011 123 HH11 ARG 14 HH11 ARG 14 11.394 4.882 -0.400 124 HH12 ARG 14 HH12 ARG 14 11.751 4.792 -2.093 125 HH21 ARG 14 HH21 ARG 14 13.643 1.900 -1.810 126 HH22 ARG 14 HH22 ARG 14 13.024 3.104 -2.891 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 7.857 1.613 2.720 2 HA2 GLY 1 HA2 GLY 1 8.512 -0.054 4.228 3 HA3 GLY 1 HA1 GLY 1 7.631 0.783 5.503 4 H SER 2 HN SER 2 6.009 0.268 2.501 5 HA SER 2 HA SER 2 4.738 -2.205 3.402 6 HB2 SER 2 HB2 SER 2 3.001 0.156 2.717 7 HB3 SER 2 HB1 SER 2 2.540 -1.357 3.492 8 HG SER 2 HG SER 2 3.702 -0.729 5.308 9 H LYS 3 HN LYS 3 2.973 -2.820 1.728 10 HA LYS 3 HA LYS 3 3.213 -1.825 -0.929 11 HB2 LYS 3 HB2 LYS 3 4.236 -3.874 -1.934 12 HB3 LYS 3 HB1 LYS 3 5.356 -2.927 -0.959 13 HG2 LYS 3 HG2 LYS 3 5.361 -4.492 0.789 14 HG3 LYS 3 HG1 LYS 3 3.826 -5.205 0.288 15 HD2 LYS 3 HD2 LYS 3 6.156 -5.325 -1.593 16 HD3 LYS 3 HD1 LYS 3 6.106 -6.442 -0.228 17 HE2 LYS 3 HE2 LYS 3 3.616 -6.135 -1.845 18 HE3 LYS 3 HE1 LYS 3 4.949 -7.036 -2.565 19 HZ1 LYS 3 HZ1 LYS 3 4.609 -7.798 0.132 20 HZ2 LYS 3 HZ2 LYS 3 4.502 -8.754 -1.268 21 HZ3 LYS 3 HZ3 LYS 3 3.129 -7.939 -0.684 22 H ARG 4 HN ARG 4 0.982 -2.061 0.386 23 HA ARG 4 HA ARG 4 -0.332 -4.435 -0.781 24 HB2 ARG 4 HB2 ARG 4 -1.160 -3.235 1.858 25 HB3 ARG 4 HB1 ARG 4 -1.627 -4.789 1.168 26 HG2 ARG 4 HG2 ARG 4 0.992 -5.220 1.223 27 HG3 ARG 4 HG1 ARG 4 0.937 -3.997 2.494 28 HD2 ARG 4 HD2 ARG 4 -0.869 -5.340 3.612 29 HD3 ARG 4 HD1 ARG 4 -0.610 -6.600 2.409 30 HE ARG 4 HE ARG 4 1.017 -6.096 4.702 31 HH11 ARG 4 HH11 ARG 4 2.927 -7.308 4.903 32 HH12 ARG 4 HH12 ARG 4 3.585 -8.115 3.519 33 HH21 ARG 4 HH21 ARG 4 1.086 -7.036 1.371 34 HH22 ARG 4 HH22 ARG 4 2.542 -7.961 1.520 35 H PHE 5 HN PHE 5 -2.603 -4.139 -1.236 36 HA PHE 5 HA PHE 5 -3.251 -1.320 -1.833 37 HB2 PHE 5 HB2 PHE 5 -4.886 -3.449 -3.056 38 HB3 PHE 5 HB1 PHE 5 -4.185 -2.004 -3.785 39 HD1 PHE 5 HD1 PHE 5 -4.077 -5.445 -3.957 40 HD2 PHE 5 HD2 PHE 5 -1.422 -2.086 -3.587 41 HE1 PHE 5 HE1 PHE 5 -2.228 -6.802 -4.899 42 HE2 PHE 5 HE2 PHE 5 0.426 -3.445 -4.529 43 HZ PHE 5 HZ PHE 5 0.024 -5.802 -5.185 44 H ARG 6 HN ARG 6 -5.150 -0.422 -1.126 45 HA ARG 6 HA ARG 6 -7.037 -2.153 0.328 46 HB2 ARG 6 HB2 ARG 6 -5.572 0.220 1.476 47 HB3 ARG 6 HB1 ARG 6 -7.167 -0.229 2.068 48 HG2 ARG 6 HG2 ARG 6 -5.093 -2.371 1.810 49 HG3 ARG 6 HG1 ARG 6 -4.985 -1.251 3.167 50 HD2 ARG 6 HD2 ARG 6 -7.648 -2.467 2.570 51 HD3 ARG 6 HD1 ARG 6 -6.429 -3.487 3.327 52 HE ARG 6 HE ARG 6 -7.900 -1.407 4.603 53 HH11 ARG 6 HH11 ARG 6 -7.304 -0.851 6.722 54 HH12 ARG 6 HH12 ARG 6 -5.746 -1.310 7.325 55 HH21 ARG 6 HH21 ARG 6 -4.775 -2.879 4.389 56 HH22 ARG 6 HH22 ARG 6 -4.314 -2.457 6.005 57 HA DPR 7 HA DPR 7 -10.385 -0.336 -1.816 58 HB2 DPR 7 HB1 DPR 7 -8.561 -0.079 -4.186 59 HB3 DPR 7 HB2 DPR 7 -10.243 -0.640 -4.116 60 HG2 DPR 7 HG1 DPR 7 -8.103 -2.307 -4.209 61 HG3 DPR 7 HG2 DPR 7 -9.638 -2.729 -3.435 62 HD2 DPR 7 HD1 DPR 7 -7.026 -2.252 -2.197 63 HD3 DPR 7 HD2 DPR 7 -8.508 -2.886 -1.450 64 HA PRO 8 HA PRO 8 -10.186 4.089 -2.111 65 HB2 PRO 8 HB2 PRO 8 -10.035 4.765 0.600 66 HB3 PRO 8 HB1 PRO 8 -11.531 4.444 -0.296 67 HG2 PRO 8 HG2 PRO 8 -9.991 2.676 1.519 68 HG3 PRO 8 HG1 PRO 8 -11.741 2.794 1.262 69 HD2 PRO 8 HD2 PRO 8 -10.285 0.753 0.224 70 HD3 PRO 8 HD1 PRO 8 -11.701 1.420 -0.619 71 H ILE 9 HN ILE 9 -7.815 2.491 -0.042 72 HA ILE 9 HA ILE 9 -5.851 4.575 -0.784 73 HB ILE 9 HB ILE 9 -4.777 3.868 1.500 74 HG12 ILE 9 HG12 ILE 9 -7.589 3.554 2.415 75 HG13 ILE 9 HG11 ILE 9 -6.876 2.161 1.602 76 HG21 ILE 9 HG21 ILE 9 -5.368 6.097 1.411 77 HG22 ILE 9 HG22 ILE 9 -6.556 5.536 2.588 78 HG23 ILE 9 HG23 ILE 9 -7.019 5.749 0.899 79 HD11 ILE 9 HD11 ILE 9 -6.505 2.139 4.077 80 HD12 ILE 9 HD12 ILE 9 -5.581 3.632 3.912 81 HD13 ILE 9 HD13 ILE 9 -5.002 2.149 3.153 82 H ILE 10 HN ILE 10 -3.742 3.901 -1.156 83 HA ILE 10 HA ILE 10 -3.364 0.980 -1.416 84 HB ILE 10 HB ILE 10 -3.617 2.314 -3.593 85 HG12 ILE 10 HG12 ILE 10 -1.252 0.564 -2.914 86 HG13 ILE 10 HG11 ILE 10 -2.740 0.122 -3.754 87 HG21 ILE 10 HG21 ILE 10 -1.864 3.697 -4.320 88 HG22 ILE 10 HG22 ILE 10 -0.745 3.080 -3.109 89 HG23 ILE 10 HG23 ILE 10 -2.051 4.165 -2.632 90 HD11 ILE 10 HD11 ILE 10 -0.353 1.618 -4.785 91 HD12 ILE 10 HD12 ILE 10 -1.938 1.943 -5.489 92 HD13 ILE 10 HD13 ILE 10 -1.267 0.314 -5.544 93 H PHE 11 HN PHE 11 -1.895 0.258 -0.042 94 HA PHE 11 HA PHE 11 0.020 2.079 1.171 95 HB2 PHE 11 HB2 PHE 11 -0.794 -0.774 1.640 96 HB3 PHE 11 HB1 PHE 11 0.711 -0.163 2.323 97 HD1 PHE 11 HD1 PHE 11 0.532 2.170 3.551 98 HD2 PHE 11 HD2 PHE 11 -2.781 -0.470 2.832 99 HE1 PHE 11 HE1 PHE 11 -0.737 3.264 5.379 100 HE2 PHE 11 HE2 PHE 11 -4.049 0.624 4.661 101 HZ PHE 11 HZ PHE 11 -3.026 2.491 5.934 102 H ASN 12 HN ASN 12 1.090 2.492 -0.939 103 HA ASN 12 HA ASN 12 2.886 0.314 -1.782 104 HB2 ASN 12 HB2 ASN 12 1.916 1.083 -3.725 105 HB3 ASN 12 HB1 ASN 12 1.766 2.733 -3.122 106 HD21 ASN 12 HD21 ASN 12 4.724 0.705 -3.112 107 HD22 ASN 12 HD22 ASN 12 5.615 1.734 -4.135 108 H GLU 13 HN GLU 13 4.799 0.317 -0.786 109 HA GLU 13 HA GLU 13 6.914 1.087 -0.241 110 HB2 GLU 13 HB2 GLU 13 6.255 2.897 -2.095 111 HB3 GLU 13 HB1 GLU 13 6.224 3.948 -0.679 112 HG2 GLU 13 HG2 GLU 13 8.516 2.798 -0.119 113 HG3 GLU 13 HG1 GLU 13 8.525 2.405 -1.838 114 H ARG 14 HN ARG 14 7.408 3.679 1.012 115 HA ARG 14 HA ARG 14 7.468 4.505 3.158 116 HB2 ARG 14 HB2 ARG 14 5.269 5.375 2.447 117 HB3 ARG 14 HB1 ARG 14 4.504 3.889 3.011 118 HG2 ARG 14 HG2 ARG 14 4.588 4.534 5.182 119 HG3 ARG 14 HG1 ARG 14 6.230 5.158 5.026 120 HD2 ARG 14 HD2 ARG 14 4.641 6.976 5.524 121 HD3 ARG 14 HD1 ARG 14 5.366 7.188 3.934 122 HE ARG 14 HE ARG 14 3.107 5.853 3.327 123 HH11 ARG 14 HH11 ARG 14 1.066 6.797 3.019 124 HH12 ARG 14 HH12 ARG 14 0.677 8.286 3.815 125 HH21 ARG 14 HH21 ARG 14 3.757 8.557 5.386 126 HH22 ARG 14 HH22 ARG 14 2.200 9.282 5.154 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 9.139 -1.206 0.128 2 HA2 GLY 1 HA2 GLY 1 9.782 -2.997 1.603 3 HA3 GLY 1 HA1 GLY 1 9.753 -1.854 2.942 4 H SER 2 HN SER 2 7.147 -0.995 1.233 5 HA SER 2 HA SER 2 5.355 -3.028 2.396 6 HB2 SER 2 HB2 SER 2 5.637 -0.290 3.250 7 HB3 SER 2 HB1 SER 2 4.023 -0.554 2.596 8 HG SER 2 HG SER 2 4.744 -2.660 4.078 9 H LYS 3 HN LYS 3 4.550 -3.916 0.587 10 HA LYS 3 HA LYS 3 3.403 -2.104 -1.455 11 HB2 LYS 3 HB2 LYS 3 5.283 -3.315 -2.396 12 HB3 LYS 3 HB1 LYS 3 4.637 -4.846 -1.805 13 HG2 LYS 3 HG2 LYS 3 2.854 -4.833 -3.336 14 HG3 LYS 3 HG1 LYS 3 2.987 -3.096 -3.615 15 HD2 LYS 3 HD2 LYS 3 3.869 -4.399 -5.532 16 HD3 LYS 3 HD1 LYS 3 5.128 -3.425 -4.772 17 HE2 LYS 3 HE2 LYS 3 6.120 -5.290 -3.736 18 HE3 LYS 3 HE1 LYS 3 4.668 -6.274 -3.910 19 HZ1 LYS 3 HZ1 LYS 3 6.826 -5.882 -5.743 20 HZ2 LYS 3 HZ2 LYS 3 5.318 -5.579 -6.465 21 HZ3 LYS 3 HZ3 LYS 3 5.625 -7.080 -5.730 22 H ARG 4 HN ARG 4 1.385 -2.066 -0.382 23 HA ARG 4 HA ARG 4 -0.179 -4.536 -0.756 24 HB2 ARG 4 HB2 ARG 4 0.580 -3.738 1.732 25 HB3 ARG 4 HB1 ARG 4 -0.941 -2.863 1.558 26 HG2 ARG 4 HG2 ARG 4 -1.616 -4.933 2.450 27 HG3 ARG 4 HG1 ARG 4 -1.899 -5.129 0.721 28 HD2 ARG 4 HD2 ARG 4 -0.666 -7.025 0.970 29 HD3 ARG 4 HD1 ARG 4 0.706 -5.925 0.910 30 HE ARG 4 HE ARG 4 1.003 -6.228 3.212 31 HH11 ARG 4 HH11 ARG 4 0.593 -7.355 5.141 32 HH12 ARG 4 HH12 ARG 4 -0.837 -8.322 5.286 33 HH21 ARG 4 HH21 ARG 4 -1.971 -7.598 2.091 34 HH22 ARG 4 HH22 ARG 4 -2.287 -8.460 3.559 35 H PHE 5 HN PHE 5 -2.612 -3.954 -0.445 36 HA PHE 5 HA PHE 5 -3.199 -1.279 -1.524 37 HB2 PHE 5 HB2 PHE 5 -4.866 -3.370 -2.695 38 HB3 PHE 5 HB1 PHE 5 -4.020 -2.035 -3.479 39 HD1 PHE 5 HD1 PHE 5 -4.084 -5.559 -2.997 40 HD2 PHE 5 HD2 PHE 5 -1.412 -2.258 -3.642 41 HE1 PHE 5 HE1 PHE 5 -2.340 -7.128 -3.799 42 HE2 PHE 5 HE2 PHE 5 0.332 -3.828 -4.443 43 HZ PHE 5 HZ PHE 5 -0.131 -6.262 -4.521 44 H ARG 6 HN ARG 6 -5.090 -0.394 -0.798 45 HA ARG 6 HA ARG 6 -6.940 -2.125 0.705 46 HB2 ARG 6 HB2 ARG 6 -5.508 0.297 1.794 47 HB3 ARG 6 HB1 ARG 6 -7.074 -0.195 2.427 48 HG2 ARG 6 HG2 ARG 6 -4.936 -2.272 2.148 49 HG3 ARG 6 HG1 ARG 6 -4.840 -1.136 3.491 50 HD2 ARG 6 HD2 ARG 6 -7.474 -2.439 2.964 51 HD3 ARG 6 HD1 ARG 6 -6.207 -3.418 3.695 52 HE ARG 6 HE ARG 6 -7.705 -1.371 4.994 53 HH11 ARG 6 HH11 ARG 6 -7.077 -0.797 7.100 54 HH12 ARG 6 HH12 ARG 6 -5.496 -1.220 7.671 55 HH21 ARG 6 HH21 ARG 6 -4.554 -2.773 4.717 56 HH22 ARG 6 HH22 ARG 6 -4.069 -2.338 6.323 57 HA DPR 7 HA DPR 7 -10.274 -0.376 -1.555 58 HB2 DPR 7 HB1 DPR 7 -8.355 0.162 -3.803 59 HB3 DPR 7 HB2 DPR 7 -10.023 -0.440 -3.874 60 HG2 DPR 7 HG1 DPR 7 -7.865 -2.061 -4.002 61 HG3 DPR 7 HG2 DPR 7 -9.405 -2.564 -3.289 62 HD2 DPR 7 HD1 DPR 7 -6.829 -2.085 -1.972 63 HD3 DPR 7 HD2 DPR 7 -8.290 -2.842 -1.306 64 HA PRO 8 HA PRO 8 -10.539 4.064 -1.315 65 HB2 PRO 8 HB2 PRO 8 -9.638 3.780 1.523 66 HB3 PRO 8 HB1 PRO 8 -11.031 4.659 0.867 67 HG2 PRO 8 HG2 PRO 8 -11.233 2.264 2.095 68 HG3 PRO 8 HG1 PRO 8 -12.349 2.818 0.837 69 HD2 PRO 8 HD2 PRO 8 -10.330 0.676 0.695 70 HD3 PRO 8 HD1 PRO 8 -11.688 1.015 -0.399 71 H ILE 9 HN ILE 9 -7.686 2.378 -0.141 72 HA ILE 9 HA ILE 9 -6.015 4.550 -1.171 73 HB ILE 9 HB ILE 9 -4.595 4.256 0.996 74 HG12 ILE 9 HG12 ILE 9 -7.183 3.841 2.385 75 HG13 ILE 9 HG11 ILE 9 -6.500 2.413 1.606 76 HG21 ILE 9 HG21 ILE 9 -5.755 6.334 0.323 77 HG22 ILE 9 HG22 ILE 9 -5.860 6.080 2.065 78 HG23 ILE 9 HG23 ILE 9 -7.248 5.727 1.037 79 HD11 ILE 9 HD11 ILE 9 -4.458 2.604 2.844 80 HD12 ILE 9 HD12 ILE 9 -5.766 2.792 4.012 81 HD13 ILE 9 HD13 ILE 9 -4.890 4.209 3.432 82 H ILE 10 HN ILE 10 -3.966 3.930 -1.792 83 HA ILE 10 HA ILE 10 -3.523 1.016 -1.911 84 HB ILE 10 HB ILE 10 -2.268 1.360 -3.901 85 HG12 ILE 10 HG12 ILE 10 -2.226 4.020 -4.564 86 HG13 ILE 10 HG11 ILE 10 -1.976 4.105 -2.825 87 HG21 ILE 10 HG21 ILE 10 -4.512 3.387 -4.044 88 HG22 ILE 10 HG22 ILE 10 -4.782 1.644 -4.033 89 HG23 ILE 10 HG23 ILE 10 -3.880 2.387 -5.353 90 HD11 ILE 10 HD11 ILE 10 0.209 3.880 -3.676 91 HD12 ILE 10 HD12 ILE 10 -0.293 2.717 -4.903 92 HD13 ILE 10 HD13 ILE 10 -0.209 2.233 -3.210 93 H PHE 11 HN PHE 11 -1.481 0.158 -1.407 94 HA PHE 11 HA PHE 11 0.243 1.947 0.201 95 HB2 PHE 11 HB2 PHE 11 -0.948 -0.656 0.765 96 HB3 PHE 11 HB1 PHE 11 0.800 -0.648 1.004 97 HD1 PHE 11 HD1 PHE 11 1.795 1.332 2.358 98 HD2 PHE 11 HD2 PHE 11 -2.367 0.267 2.392 99 HE1 PHE 11 HE1 PHE 11 1.497 2.568 4.488 100 HE2 PHE 11 HE2 PHE 11 -2.664 1.503 4.522 101 HZ PHE 11 HZ PHE 11 -0.733 2.653 5.570 102 H ASN 12 HN ASN 12 1.908 2.466 -1.095 103 HA ASN 12 HA ASN 12 3.480 0.249 -2.229 104 HB2 ASN 12 HB2 ASN 12 2.205 1.151 -4.085 105 HB3 ASN 12 HB1 ASN 12 2.698 2.794 -3.662 106 HD21 ASN 12 HD21 ASN 12 3.483 2.307 -6.205 107 HD22 ASN 12 HD22 ASN 12 5.112 1.829 -6.295 108 H GLU 13 HN GLU 13 4.393 1.002 0.022 109 HA GLU 13 HA GLU 13 6.238 3.272 -0.350 110 HB2 GLU 13 HB2 GLU 13 5.484 1.792 2.181 111 HB3 GLU 13 HB1 GLU 13 6.502 3.229 2.080 112 HG2 GLU 13 HG2 GLU 13 4.161 3.872 0.659 113 HG3 GLU 13 HG1 GLU 13 3.613 3.045 2.116 114 H ARG 14 HN ARG 14 8.430 2.997 0.597 115 HA ARG 14 HA ARG 14 9.772 0.806 -0.569 116 HB2 ARG 14 HB2 ARG 14 10.757 3.074 -0.002 117 HB3 ARG 14 HB1 ARG 14 10.844 2.526 1.673 118 HG2 ARG 14 HG2 ARG 14 12.124 0.496 0.798 119 HG3 ARG 14 HG1 ARG 14 12.251 1.358 -0.735 120 HD2 ARG 14 HD2 ARG 14 13.680 1.815 1.789 121 HD3 ARG 14 HD1 ARG 14 14.124 2.275 0.148 122 HE ARG 14 HE ARG 14 12.151 4.025 0.682 123 HH11 ARG 14 HH11 ARG 14 12.400 5.992 1.790 124 HH12 ARG 14 HH12 ARG 14 13.675 6.173 2.947 125 HH21 ARG 14 HH21 ARG 14 14.893 2.957 2.505 126 HH22 ARG 14 HH22 ARG 14 15.087 4.454 3.352 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 8.238 0.962 1.292 2 HA2 GLY 1 HA2 GLY 1 9.402 -0.949 2.015 3 HA3 GLY 1 HA1 GLY 1 9.053 -0.507 3.684 4 H SER 2 HN SER 2 6.580 -0.587 1.197 5 HA SER 2 HA SER 2 5.619 -3.201 2.085 6 HB2 SER 2 HB2 SER 2 4.270 -0.602 2.667 7 HB3 SER 2 HB1 SER 2 3.270 -1.995 2.263 8 HG SER 2 HG SER 2 4.583 -3.121 3.905 9 H LYS 3 HN LYS 3 3.994 -4.094 0.711 10 HA LYS 3 HA LYS 3 3.586 -2.708 -1.862 11 HB2 LYS 3 HB2 LYS 3 4.487 -5.579 -1.517 12 HB3 LYS 3 HB1 LYS 3 4.009 -4.844 -3.046 13 HG2 LYS 3 HG2 LYS 3 5.892 -3.072 -1.951 14 HG3 LYS 3 HG1 LYS 3 6.551 -4.680 -1.656 15 HD2 LYS 3 HD2 LYS 3 7.316 -3.974 -3.833 16 HD3 LYS 3 HD1 LYS 3 6.091 -5.219 -4.080 17 HE2 LYS 3 HE2 LYS 3 4.963 -3.764 -5.374 18 HE3 LYS 3 HE1 LYS 3 4.681 -2.780 -3.937 19 HZ1 LYS 3 HZ1 LYS 3 6.600 -1.519 -4.353 20 HZ2 LYS 3 HZ2 LYS 3 5.820 -1.650 -5.858 21 HZ3 LYS 3 HZ3 LYS 3 7.180 -2.609 -5.515 22 H ARG 4 HN ARG 4 1.590 -2.548 -0.173 23 HA ARG 4 HA ARG 4 -0.295 -4.681 -0.993 24 HB2 ARG 4 HB2 ARG 4 0.411 -3.741 1.681 25 HB3 ARG 4 HB1 ARG 4 -1.323 -3.667 1.366 26 HG2 ARG 4 HG2 ARG 4 -0.682 -5.858 2.295 27 HG3 ARG 4 HG1 ARG 4 -1.303 -6.022 0.652 28 HD2 ARG 4 HD2 ARG 4 0.731 -6.635 -0.199 29 HD3 ARG 4 HD1 ARG 4 1.622 -5.585 0.899 30 HE ARG 4 HE ARG 4 1.023 -8.354 1.315 31 HH11 ARG 4 HH11 ARG 4 1.645 -9.246 3.309 32 HH12 ARG 4 HH12 ARG 4 2.014 -8.203 4.641 33 HH21 ARG 4 HH21 ARG 4 1.403 -5.286 2.870 34 HH22 ARG 4 HH22 ARG 4 1.878 -5.961 4.392 35 H PHE 5 HN PHE 5 -2.579 -3.986 -0.945 36 HA PHE 5 HA PHE 5 -2.932 -1.092 -1.397 37 HB2 PHE 5 HB2 PHE 5 -4.042 -3.287 -3.158 38 HB3 PHE 5 HB1 PHE 5 -4.333 -1.557 -3.347 39 HD1 PHE 5 HD1 PHE 5 -2.657 -0.091 -4.274 40 HD2 PHE 5 HD2 PHE 5 -1.775 -4.229 -3.531 41 HE1 PHE 5 HE1 PHE 5 -0.566 0.118 -5.592 42 HE2 PHE 5 HE2 PHE 5 0.316 -4.019 -4.849 43 HZ PHE 5 HZ PHE 5 0.920 -1.846 -5.879 44 H ARG 6 HN ARG 6 -4.958 -0.261 -0.869 45 HA ARG 6 HA ARG 6 -6.922 -2.143 0.249 46 HB2 ARG 6 HB2 ARG 6 -5.954 0.315 1.727 47 HB3 ARG 6 HB1 ARG 6 -7.171 -0.833 2.280 48 HG2 ARG 6 HG2 ARG 6 -5.337 -2.628 2.000 49 HG3 ARG 6 HG1 ARG 6 -4.209 -1.273 1.928 50 HD2 ARG 6 HD2 ARG 6 -5.560 -0.521 4.103 51 HD3 ARG 6 HD1 ARG 6 -5.856 -2.252 4.218 52 HE ARG 6 HE ARG 6 -3.356 -0.908 4.691 53 HH11 ARG 6 HH11 ARG 6 -1.596 -2.236 5.238 54 HH12 ARG 6 HH12 ARG 6 -1.680 -3.941 4.943 55 HH21 ARG 6 HH21 ARG 6 -4.875 -3.821 3.602 56 HH22 ARG 6 HH22 ARG 6 -3.536 -4.838 4.017 57 HA DPR 7 HA DPR 7 -10.041 -0.123 -2.086 58 HB2 DPR 7 HB1 DPR 7 -7.930 0.618 -4.089 59 HB3 DPR 7 HB2 DPR 7 -9.587 0.044 -4.367 60 HG2 DPR 7 HG1 DPR 7 -7.427 -1.576 -4.470 61 HG3 DPR 7 HG2 DPR 7 -9.026 -2.135 -3.953 62 HD2 DPR 7 HD1 DPR 7 -6.577 -1.819 -2.369 63 HD3 DPR 7 HD2 DPR 7 -8.093 -2.625 -1.917 64 HA PRO 8 HA PRO 8 -10.333 4.292 -1.503 65 HB2 PRO 8 HB2 PRO 8 -9.799 3.703 1.385 66 HB3 PRO 8 HB1 PRO 8 -11.077 4.693 0.655 67 HG2 PRO 8 HG2 PRO 8 -11.499 2.201 1.585 68 HG3 PRO 8 HG1 PRO 8 -12.412 2.906 0.241 69 HD2 PRO 8 HD2 PRO 8 -10.422 0.730 0.177 70 HD3 PRO 8 HD1 PRO 8 -11.611 1.204 -1.056 71 H ILE 9 HN ILE 9 -7.641 2.461 -0.180 72 HA ILE 9 HA ILE 9 -5.867 4.719 -0.753 73 HB ILE 9 HB ILE 9 -4.750 3.986 1.580 74 HG12 ILE 9 HG12 ILE 9 -7.653 3.950 2.332 75 HG13 ILE 9 HG11 ILE 9 -6.898 2.446 1.804 76 HG21 ILE 9 HG21 ILE 9 -7.033 5.950 1.225 77 HG22 ILE 9 HG22 ILE 9 -5.327 6.275 0.919 78 HG23 ILE 9 HG23 ILE 9 -5.884 5.963 2.563 79 HD11 ILE 9 HD11 ILE 9 -5.238 2.572 3.535 80 HD12 ILE 9 HD12 ILE 9 -6.801 2.857 4.301 81 HD13 ILE 9 HD13 ILE 9 -5.726 4.212 3.962 82 H ILE 10 HN ILE 10 -3.686 4.160 -1.036 83 HA ILE 10 HA ILE 10 -3.278 1.340 -1.733 84 HB ILE 10 HB ILE 10 -1.588 2.044 -3.185 85 HG12 ILE 10 HG12 ILE 10 -1.351 4.448 -1.359 86 HG13 ILE 10 HG11 ILE 10 -0.129 3.225 -1.708 87 HG21 ILE 10 HG21 ILE 10 -2.656 3.539 -4.563 88 HG22 ILE 10 HG22 ILE 10 -3.026 4.657 -3.251 89 HG23 ILE 10 HG23 ILE 10 -3.988 3.193 -3.462 90 HD11 ILE 10 HD11 ILE 10 0.617 4.886 -3.116 91 HD12 ILE 10 HD12 ILE 10 -0.999 5.553 -3.359 92 HD13 ILE 10 HD13 ILE 10 -0.514 4.082 -4.205 93 H PHE 11 HN PHE 11 -1.290 0.262 -1.068 94 HA PHE 11 HA PHE 11 -0.091 1.362 1.391 95 HB2 PHE 11 HB2 PHE 11 -1.898 -0.735 1.345 96 HB3 PHE 11 HB1 PHE 11 -0.338 -1.549 1.361 97 HD1 PHE 11 HD1 PHE 11 -2.696 0.467 3.244 98 HD2 PHE 11 HD2 PHE 11 1.323 -1.036 3.154 99 HE1 PHE 11 HE1 PHE 11 -2.451 0.985 5.661 100 HE2 PHE 11 HE2 PHE 11 1.572 -0.520 5.570 101 HZ PHE 11 HZ PHE 11 -0.315 0.491 6.823 102 H ASN 12 HN ASN 12 0.918 1.514 -1.232 103 HA ASN 12 HA ASN 12 3.042 -0.514 -1.323 104 HB2 ASN 12 HB2 ASN 12 3.168 -0.172 -3.583 105 HB3 ASN 12 HB1 ASN 12 1.498 0.332 -3.335 106 HD21 ASN 12 HD21 ASN 12 2.009 2.881 -2.084 107 HD22 ASN 12 HD22 ASN 12 2.723 3.898 -3.249 108 H GLU 13 HN GLU 13 5.236 0.116 -1.603 109 HA GLU 13 HA GLU 13 7.105 1.450 -1.341 110 HB2 GLU 13 HB2 GLU 13 5.323 3.266 -2.281 111 HB3 GLU 13 HB1 GLU 13 5.617 3.920 -0.670 112 HG2 GLU 13 HG2 GLU 13 7.303 4.926 -1.959 113 HG3 GLU 13 HG1 GLU 13 8.134 3.550 -1.234 114 H ARG 14 HN ARG 14 7.588 3.494 0.477 115 HA ARG 14 HA ARG 14 8.164 3.717 2.695 116 HB2 ARG 14 HB2 ARG 14 5.238 3.147 2.658 117 HB3 ARG 14 HB1 ARG 14 6.058 3.099 4.219 118 HG2 ARG 14 HG2 ARG 14 6.947 5.360 3.843 119 HG3 ARG 14 HG1 ARG 14 6.166 5.413 2.262 120 HD2 ARG 14 HD2 ARG 14 3.983 4.896 3.588 121 HD3 ARG 14 HD1 ARG 14 4.899 5.435 4.992 122 HE ARG 14 HE ARG 14 4.660 7.603 4.220 123 HH11 ARG 14 HH11 ARG 14 4.058 9.183 2.703 124 HH12 ARG 14 HH12 ARG 14 3.657 8.713 1.084 125 HH21 ARG 14 HH21 ARG 14 4.192 5.335 1.650 126 HH22 ARG 14 HH22 ARG 14 3.732 6.534 0.488 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 9.837 -0.004 -0.682 2 HA2 GLY 1 HA2 GLY 1 10.943 -1.959 -1.425 3 HA3 GLY 1 HA1 GLY 1 11.285 -2.375 0.253 4 H SER 2 HN SER 2 8.212 -1.447 0.417 5 HA SER 2 HA SER 2 7.041 -3.986 -0.502 6 HB2 SER 2 HB2 SER 2 5.940 -3.166 2.056 7 HB3 SER 2 HB1 SER 2 6.568 -4.736 1.560 8 HG SER 2 HG SER 2 8.429 -2.712 1.937 9 H LYS 3 HN LYS 3 4.519 -3.803 0.112 10 HA LYS 3 HA LYS 3 3.304 -1.260 0.097 11 HB2 LYS 3 HB2 LYS 3 2.478 -1.226 -2.260 12 HB3 LYS 3 HB1 LYS 3 4.213 -0.962 -2.128 13 HG2 LYS 3 HG2 LYS 3 4.702 -3.202 -2.823 14 HG3 LYS 3 HG1 LYS 3 3.016 -3.694 -2.649 15 HD2 LYS 3 HD2 LYS 3 2.455 -2.882 -4.685 16 HD3 LYS 3 HD1 LYS 3 3.378 -1.399 -4.441 17 HE2 LYS 3 HE2 LYS 3 5.463 -2.590 -4.966 18 HE3 LYS 3 HE1 LYS 3 4.565 -4.094 -5.171 19 HZ1 LYS 3 HZ1 LYS 3 4.953 -1.983 -7.019 20 HZ2 LYS 3 HZ2 LYS 3 3.292 -2.222 -6.747 21 HZ3 LYS 3 HZ3 LYS 3 4.265 -3.512 -7.272 22 H ARG 4 HN ARG 4 1.027 -1.364 0.025 23 HA ARG 4 HA ARG 4 -0.160 -4.043 -0.215 24 HB2 ARG 4 HB2 ARG 4 -0.330 -2.225 2.188 25 HB3 ARG 4 HB1 ARG 4 -1.527 -3.479 1.874 26 HG2 ARG 4 HG2 ARG 4 0.336 -5.155 1.776 27 HG3 ARG 4 HG1 ARG 4 1.454 -3.876 2.252 28 HD2 ARG 4 HD2 ARG 4 -0.486 -5.371 3.879 29 HD3 ARG 4 HD1 ARG 4 0.977 -4.524 4.371 30 HE ARG 4 HE ARG 4 -1.244 -2.796 3.648 31 HH11 ARG 4 HH11 ARG 4 -2.057 -1.526 5.347 32 HH12 ARG 4 HH12 ARG 4 -1.599 -1.878 6.980 33 HH21 ARG 4 HH21 ARG 4 0.419 -4.562 6.116 34 HH22 ARG 4 HH22 ARG 4 -0.198 -3.596 7.415 35 H PHE 5 HN PHE 5 -2.721 -3.526 0.428 36 HA PHE 5 HA PHE 5 -3.506 -1.280 -1.334 37 HB2 PHE 5 HB2 PHE 5 -3.841 -3.995 -1.863 38 HB3 PHE 5 HB1 PHE 5 -5.418 -3.465 -1.281 39 HD1 PHE 5 HD1 PHE 5 -6.877 -2.330 -2.726 40 HD2 PHE 5 HD2 PHE 5 -2.680 -2.472 -3.636 41 HE1 PHE 5 HE1 PHE 5 -7.312 -1.232 -4.906 42 HE2 PHE 5 HE2 PHE 5 -3.117 -1.373 -5.816 43 HZ PHE 5 HZ PHE 5 -5.432 -0.753 -6.452 44 H ARG 6 HN ARG 6 -5.443 -0.210 -0.829 45 HA ARG 6 HA ARG 6 -6.766 -0.969 1.684 46 HB2 ARG 6 HB2 ARG 6 -5.265 1.571 1.210 47 HB3 ARG 6 HB1 ARG 6 -6.784 1.662 2.096 48 HG2 ARG 6 HG2 ARG 6 -4.774 -0.442 2.835 49 HG3 ARG 6 HG1 ARG 6 -4.545 1.213 3.398 50 HD2 ARG 6 HD2 ARG 6 -7.269 0.062 3.729 51 HD3 ARG 6 HD1 ARG 6 -6.005 -0.596 4.762 52 HE ARG 6 HE ARG 6 -7.158 2.042 4.933 53 HH11 ARG 6 HH11 ARG 6 -6.346 3.369 6.587 54 HH12 ARG 6 HH12 ARG 6 -4.864 2.950 7.379 55 HH21 ARG 6 HH21 ARG 6 -4.368 0.075 5.504 56 HH22 ARG 6 HH22 ARG 6 -3.745 1.084 6.767 57 HA DPR 7 HA DPR 7 -10.656 -0.387 -0.234 58 HB2 DPR 7 HB1 DPR 7 -9.500 -1.644 -2.697 59 HB3 DPR 7 HB2 DPR 7 -11.047 -1.960 -1.890 60 HG2 DPR 7 HG1 DPR 7 -8.872 -3.534 -1.593 61 HG3 DPR 7 HG2 DPR 7 -10.089 -3.315 -0.326 62 HD2 DPR 7 HD1 DPR 7 -7.298 -2.374 -0.411 63 HD3 DPR 7 HD2 DPR 7 -8.408 -2.464 0.974 64 HA PRO 8 HA PRO 8 -10.825 2.947 -3.183 65 HB2 PRO 8 HB2 PRO 8 -10.662 5.124 -1.492 66 HB3 PRO 8 HB1 PRO 8 -12.137 4.173 -1.754 67 HG2 PRO 8 HG2 PRO 8 -10.174 4.054 0.478 68 HG3 PRO 8 HG1 PRO 8 -11.942 3.912 0.514 69 HD2 PRO 8 HD2 PRO 8 -10.321 1.732 0.691 70 HD3 PRO 8 HD1 PRO 8 -11.914 1.666 -0.094 71 H ILE 9 HN ILE 9 -8.116 2.708 -0.987 72 HA ILE 9 HA ILE 9 -6.483 4.223 -2.930 73 HB ILE 9 HB ILE 9 -5.176 5.068 -0.894 74 HG12 ILE 9 HG12 ILE 9 -7.668 4.879 0.689 75 HG13 ILE 9 HG11 ILE 9 -6.790 3.362 0.489 76 HG21 ILE 9 HG21 ILE 9 -6.267 6.863 -1.756 77 HG22 ILE 9 HG22 ILE 9 -7.381 6.635 -0.408 78 HG23 ILE 9 HG23 ILE 9 -7.760 5.956 -1.990 79 HD11 ILE 9 HD11 ILE 9 -5.354 5.885 1.299 80 HD12 ILE 9 HD12 ILE 9 -4.842 4.210 1.513 81 HD13 ILE 9 HD13 ILE 9 -6.149 4.866 2.500 82 H ILE 10 HN ILE 10 -4.327 3.597 -3.122 83 HA ILE 10 HA ILE 10 -3.793 0.856 -2.244 84 HB ILE 10 HB ILE 10 -2.121 0.779 -3.939 85 HG12 ILE 10 HG12 ILE 10 -1.965 3.195 -5.229 86 HG13 ILE 10 HG11 ILE 10 -2.105 3.717 -3.553 87 HG21 ILE 10 HG21 ILE 10 -3.488 0.949 -5.772 88 HG22 ILE 10 HG22 ILE 10 -4.021 2.578 -5.357 89 HG23 ILE 10 HG23 ILE 10 -4.714 1.184 -4.527 90 HD11 ILE 10 HD11 ILE 10 0.011 1.980 -4.813 91 HD12 ILE 10 HD12 ILE 10 -0.276 1.930 -3.074 92 HD13 ILE 10 HD13 ILE 10 0.217 3.438 -3.843 93 H PHE 11 HN PHE 11 -1.882 0.275 -1.129 94 HA PHE 11 HA PHE 11 -0.676 2.497 0.403 95 HB2 PHE 11 HB2 PHE 11 -1.769 -0.052 1.173 96 HB3 PHE 11 HB1 PHE 11 -0.067 0.033 1.624 97 HD1 PHE 11 HD1 PHE 11 -2.863 2.542 1.477 98 HD2 PHE 11 HD2 PHE 11 0.197 0.675 3.849 99 HE1 PHE 11 HE1 PHE 11 -3.443 4.014 3.387 100 HE2 PHE 11 HE2 PHE 11 -0.383 2.150 5.755 101 HZ PHE 11 HZ PHE 11 -2.202 3.819 5.525 102 H ASN 12 HN ASN 12 1.499 2.731 0.512 103 HA ASN 12 HA ASN 12 3.162 0.806 -1.001 104 HB2 ASN 12 HB2 ASN 12 2.994 2.781 -2.352 105 HB3 ASN 12 HB1 ASN 12 3.298 3.824 -0.964 106 HD21 ASN 12 HD21 ASN 12 5.048 0.800 -1.741 107 HD22 ASN 12 HD22 ASN 12 6.556 1.553 -1.979 108 H GLU 13 HN GLU 13 5.337 0.564 -0.255 109 HA GLU 13 HA GLU 13 6.030 1.793 2.307 110 HB2 GLU 13 HB2 GLU 13 4.932 -0.835 2.134 111 HB3 GLU 13 HB1 GLU 13 6.634 -0.977 2.573 112 HG2 GLU 13 HG2 GLU 13 6.282 0.704 4.373 113 HG3 GLU 13 HG1 GLU 13 4.568 0.751 3.965 114 H ARG 14 HN ARG 14 8.249 1.632 2.829 115 HA ARG 14 HA ARG 14 10.032 1.797 0.673 116 HB2 ARG 14 HB2 ARG 14 10.315 1.602 3.632 117 HB3 ARG 14 HB1 ARG 14 11.738 1.232 2.662 118 HG2 ARG 14 HG2 ARG 14 11.855 3.377 1.759 119 HG3 ARG 14 HG1 ARG 14 10.144 3.698 2.035 120 HD2 ARG 14 HD2 ARG 14 12.046 4.741 3.604 121 HD3 ARG 14 HD1 ARG 14 10.463 4.292 4.230 122 HE ARG 14 HE ARG 14 11.456 2.486 5.341 123 HH11 ARG 14 HH11 ARG 14 13.285 1.387 6.116 124 HH12 ARG 14 HH12 ARG 14 14.836 1.690 5.407 125 HH21 ARG 14 HH21 ARG 14 13.636 4.012 3.128 126 HH22 ARG 14 HH22 ARG 14 15.035 3.175 3.715
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