NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637732 | 6dza | 30487 | 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 -7.515 -1.811 1.014 2 HA2 GLY 1 HA2 GLY 1 -9.477 -2.669 -0.857 3 HA3 GLY 1 HA1 GLY 1 -8.133 -1.897 -1.697 4 H SER 2 HN SER 2 -5.925 -2.718 -1.111 5 HA SER 2 HA SER 2 -5.948 -5.568 -0.356 6 HB2 SER 2 HB2 SER 2 -4.379 -6.058 -2.172 7 HB3 SER 2 HB1 SER 2 -5.891 -5.419 -2.811 8 HG SER 2 HG SER 2 -3.376 -4.418 -2.965 9 H LYS 3 HN LYS 3 -3.112 -4.239 -1.662 10 HA LYS 3 HA LYS 3 -1.875 -4.216 1.004 11 HB2 LYS 3 HB2 LYS 3 -0.758 -4.447 -1.789 12 HB3 LYS 3 HB1 LYS 3 0.270 -4.154 -0.385 13 HG2 LYS 3 HG2 LYS 3 -1.686 -6.343 -0.049 14 HG3 LYS 3 HG1 LYS 3 -0.440 -6.643 -1.261 15 HD2 LYS 3 HD2 LYS 3 1.316 -6.169 0.361 16 HD3 LYS 3 HD1 LYS 3 0.115 -5.729 1.576 17 HE2 LYS 3 HE2 LYS 3 -0.809 -8.035 1.464 18 HE3 LYS 3 HE1 LYS 3 0.455 -8.465 0.311 19 HZ1 LYS 3 HZ1 LYS 3 1.575 -9.031 2.150 20 HZ2 LYS 3 HZ2 LYS 3 0.614 -8.074 3.174 21 HZ3 LYS 3 HZ3 LYS 3 1.882 -7.369 2.290 22 H ARG 4 HN ARG 4 -3.448 -2.034 0.631 23 HA ARG 4 HA ARG 4 -2.054 0.183 -0.524 24 HB2 ARG 4 HB2 ARG 4 -3.790 1.547 0.617 25 HB3 ARG 4 HB1 ARG 4 -4.478 0.231 -0.331 26 HG2 ARG 4 HG2 ARG 4 -5.426 -0.675 1.498 27 HG3 ARG 4 HG1 ARG 4 -3.895 -0.658 2.368 28 HD2 ARG 4 HD2 ARG 4 -4.235 1.693 2.974 29 HD3 ARG 4 HD1 ARG 4 -5.732 1.732 2.047 30 HE ARG 4 HE ARG 4 -5.652 -0.299 4.120 31 HH11 ARG 4 HH11 ARG 4 -7.156 -0.013 5.797 32 HH12 ARG 4 HH12 ARG 4 -7.980 1.500 5.966 33 HH21 ARG 4 HH21 ARG 4 -6.410 2.962 3.242 34 HH22 ARG 4 HH22 ARG 4 -7.558 3.184 4.519 35 H PHE 5 HN PHE 5 0.033 -0.364 0.627 36 HA PHE 5 HA PHE 5 0.465 1.483 2.746 37 HB2 PHE 5 HB2 PHE 5 0.629 0.163 4.625 38 HB3 PHE 5 HB1 PHE 5 -0.671 -0.678 3.785 39 HD1 PHE 5 HD1 PHE 5 0.662 -2.136 1.662 40 HD2 PHE 5 HD2 PHE 5 1.947 -1.450 5.704 41 HE1 PHE 5 HE1 PHE 5 2.043 -4.195 1.574 42 HE2 PHE 5 HE2 PHE 5 3.327 -3.507 5.614 43 HZ PHE 5 HZ PHE 5 3.375 -4.880 3.549 44 H ARG 6 HN ARG 6 2.723 0.711 3.880 45 HA ARG 6 HA ARG 6 4.771 1.229 2.197 46 HB2 ARG 6 HB2 ARG 6 4.524 0.267 4.822 47 HB3 ARG 6 HB1 ARG 6 5.605 -0.863 4.011 48 HG2 ARG 6 HG2 ARG 6 7.030 0.992 3.269 49 HG3 ARG 6 HG1 ARG 6 5.927 2.153 4.007 50 HD2 ARG 6 HD2 ARG 6 6.416 1.349 6.210 51 HD3 ARG 6 HD1 ARG 6 7.280 -0.050 5.575 52 HE ARG 6 HE ARG 6 8.387 2.526 4.805 53 HH11 ARG 6 HH11 ARG 6 10.482 2.933 5.586 54 HH12 ARG 6 HH12 ARG 6 11.149 1.921 6.824 55 HH21 ARG 6 HH21 ARG 6 8.341 -0.099 7.057 56 HH22 ARG 6 HH22 ARG 6 9.937 0.205 7.657 57 H PHE 7 HN PHE 7 6.021 0.189 0.718 58 HA PHE 7 HA PHE 7 5.803 -2.691 0.331 59 HB2 PHE 7 HB2 PHE 7 3.903 -1.433 -0.932 60 HB3 PHE 7 HB1 PHE 7 5.189 -0.966 -2.043 61 HD1 PHE 7 HD1 PHE 7 5.892 -2.449 -3.724 62 HD2 PHE 7 HD2 PHE 7 3.714 -3.957 -0.344 63 HE1 PHE 7 HE1 PHE 7 5.779 -4.682 -4.795 64 HE2 PHE 7 HE2 PHE 7 3.601 -6.191 -1.414 65 HZ PHE 7 HZ PHE 7 4.634 -6.554 -3.640 66 HA DPR 8 HA DPR 8 9.937 -2.093 -1.117 67 HB2 DPR 8 HB1 DPR 8 11.443 -0.994 0.890 68 HB3 DPR 8 HB2 DPR 8 10.878 -2.675 0.901 69 HG2 DPR 8 HG1 DPR 8 9.779 -0.281 2.300 70 HG3 DPR 8 HG2 DPR 8 9.969 -1.942 2.887 71 HD2 DPR 8 HD1 DPR 8 7.586 -0.905 2.008 72 HD3 DPR 8 HD2 DPR 8 7.994 -2.634 1.907 73 HA PRO 9 HA PRO 9 11.726 2.174 -1.624 74 HB2 PRO 9 HB2 PRO 9 11.667 1.178 -4.435 75 HB3 PRO 9 HB1 PRO 9 12.963 2.019 -3.563 76 HG2 PRO 9 HG2 PRO 9 13.076 -0.599 -4.048 77 HG3 PRO 9 HG1 PRO 9 13.709 0.104 -2.550 78 HD2 PRO 9 HD2 PRO 9 11.224 -1.490 -2.975 79 HD3 PRO 9 HD1 PRO 9 12.261 -1.376 -1.536 80 H GLU 10 HN GLU 10 8.855 0.688 -2.465 81 HA GLU 10 HA GLU 10 7.711 3.255 -3.345 82 HB2 GLU 10 HB2 GLU 10 6.238 1.925 -4.927 83 HB3 GLU 10 HB1 GLU 10 7.932 2.063 -5.404 84 HG2 GLU 10 HG2 GLU 10 8.417 -0.153 -4.560 85 HG3 GLU 10 HG1 GLU 10 6.803 -0.289 -3.865 86 H ILE 11 HN ILE 11 5.409 3.426 -2.956 87 HA ILE 11 HA ILE 11 4.239 1.408 -1.184 88 HB ILE 11 HB ILE 11 5.148 2.790 0.485 89 HG12 ILE 11 HG12 ILE 11 2.497 4.169 0.034 90 HG13 ILE 11 HG11 ILE 11 2.570 2.466 0.490 91 HG21 ILE 11 HG21 ILE 11 4.298 5.138 -1.238 92 HG22 ILE 11 HG22 ILE 11 5.951 4.586 -0.969 93 HG23 ILE 11 HG23 ILE 11 5.024 5.277 0.363 94 HD11 ILE 11 HD11 ILE 11 3.220 2.936 2.619 95 HD12 ILE 11 HD12 ILE 11 2.551 4.532 2.279 96 HD13 ILE 11 HD13 ILE 11 4.282 4.247 2.106 97 H ILE 12 HN ILE 12 1.996 1.424 -1.129 98 HA ILE 12 HA ILE 12 0.673 3.264 -3.034 99 HB ILE 12 HB ILE 12 0.694 1.128 -4.094 100 HG12 ILE 12 HG12 ILE 12 -1.972 1.036 -2.710 101 HG13 ILE 12 HG11 ILE 12 -1.567 2.428 -3.716 102 HG21 ILE 12 HG21 ILE 12 -0.637 -0.623 -2.348 103 HG22 ILE 12 HG22 ILE 12 0.574 0.182 -1.351 104 HG23 ILE 12 HG23 ILE 12 1.065 -0.684 -2.807 105 HD11 ILE 12 HD11 ILE 12 -1.060 -0.297 -4.834 106 HD12 ILE 12 HD12 ILE 12 -1.527 1.186 -5.664 107 HD13 ILE 12 HD13 ILE 12 -2.729 0.267 -4.758 108 H PHE 13 HN PHE 13 -0.937 4.423 -2.198 109 HA PHE 13 HA PHE 13 -2.473 3.389 0.067 110 HB2 PHE 13 HB2 PHE 13 -0.389 4.880 0.746 111 HB3 PHE 13 HB1 PHE 13 -1.482 6.194 0.309 112 HD1 PHE 13 HD1 PHE 13 -3.346 6.773 1.685 113 HD2 PHE 13 HD2 PHE 13 -1.093 3.206 2.490 114 HE1 PHE 13 HE1 PHE 13 -4.527 6.516 3.850 115 HE2 PHE 13 HE2 PHE 13 -2.274 2.949 4.656 116 HZ PHE 13 HZ PHE 13 -3.991 4.604 5.336 117 H ASN 14 HN ASN 14 -4.567 3.770 -0.263 118 HA ASN 14 HA ASN 14 -5.775 6.152 -0.956 119 HB2 ASN 14 HB2 ASN 14 -4.638 4.749 -3.271 120 HB3 ASN 14 HB1 ASN 14 -6.349 5.136 -3.443 121 HD21 ASN 14 HD21 ASN 14 -6.758 7.563 -2.434 122 HD22 ASN 14 HD22 ASN 14 -5.690 8.727 -3.056 123 H GLU 15 HN GLU 15 -7.247 5.301 0.534 124 HA GLU 15 HA GLU 15 -9.148 4.208 1.213 125 HB2 GLU 15 HB2 GLU 15 -9.428 4.679 -1.598 126 HB3 GLU 15 HB1 GLU 15 -10.138 3.112 -1.211 127 HG2 GLU 15 HG2 GLU 15 -10.729 5.677 0.292 128 HG3 GLU 15 HG1 GLU 15 -11.759 5.000 -0.969 129 H ARG 16 HN ARG 16 -9.230 2.326 2.240 130 HA ARG 16 HA ARG 16 -7.529 0.222 2.024 131 HB2 ARG 16 HB2 ARG 16 -9.509 -1.200 2.907 132 HB3 ARG 16 HB1 ARG 16 -8.960 0.162 3.881 133 HG2 ARG 16 HG2 ARG 16 -10.999 0.857 1.863 134 HG3 ARG 16 HG1 ARG 16 -11.563 -0.249 3.113 135 HD2 ARG 16 HD2 ARG 16 -11.110 1.277 4.845 136 HD3 ARG 16 HD1 ARG 16 -10.016 2.231 3.848 137 HE ARG 16 HE ARG 16 -12.337 2.565 2.542 138 HH11 ARG 16 HH11 ARG 16 -13.946 4.081 3.060 139 HH12 ARG 16 HH12 ARG 16 -14.121 4.627 4.694 140 HH21 ARG 16 HH21 ARG 16 -11.521 2.679 5.905 141 HH22 ARG 16 HH22 ARG 16 -12.748 3.834 6.304 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -8.843 0.212 -0.278 2 HA2 GLY 1 HA2 GLY 1 -7.878 -1.341 1.985 3 HA3 GLY 1 HA1 GLY 1 -9.047 -2.164 0.956 4 H SER 2 HN SER 2 -8.501 -2.605 -1.233 5 HA SER 2 HA SER 2 -7.027 -3.527 -2.757 6 HB2 SER 2 HB2 SER 2 -6.223 -1.827 -3.994 7 HB3 SER 2 HB1 SER 2 -6.860 -0.759 -2.747 8 HG SER 2 HG SER 2 -4.700 -1.412 -1.692 9 H LYS 3 HN LYS 3 -6.379 -3.806 0.206 10 HA LYS 3 HA LYS 3 -4.660 -4.564 1.544 11 HB2 LYS 3 HB2 LYS 3 -4.313 -5.863 -1.117 12 HB3 LYS 3 HB1 LYS 3 -3.023 -6.061 0.070 13 HG2 LYS 3 HG2 LYS 3 -4.462 -7.099 1.634 14 HG3 LYS 3 HG1 LYS 3 -5.912 -6.532 0.805 15 HD2 LYS 3 HD2 LYS 3 -5.353 -7.977 -1.132 16 HD3 LYS 3 HD1 LYS 3 -3.939 -8.573 -0.263 17 HE2 LYS 3 HE2 LYS 3 -5.470 -10.216 0.299 18 HE3 LYS 3 HE1 LYS 3 -5.739 -9.083 1.624 19 HZ1 LYS 3 HZ1 LYS 3 -7.422 -9.682 -0.683 20 HZ2 LYS 3 HZ2 LYS 3 -7.396 -8.070 -0.148 21 HZ3 LYS 3 HZ3 LYS 3 -7.861 -9.313 0.913 22 H ARG 4 HN ARG 4 -3.919 -2.284 1.727 23 HA ARG 4 HA ARG 4 -2.042 -0.980 0.237 24 HB2 ARG 4 HB2 ARG 4 -1.285 0.099 2.298 25 HB3 ARG 4 HB1 ARG 4 -3.039 -0.078 2.313 26 HG2 ARG 4 HG2 ARG 4 -2.227 -2.450 3.438 27 HG3 ARG 4 HG1 ARG 4 -1.015 -1.324 4.051 28 HD2 ARG 4 HD2 ARG 4 -2.775 -1.226 5.636 29 HD3 ARG 4 HD1 ARG 4 -2.984 0.215 4.644 30 HE ARG 4 HE ARG 4 -4.568 -1.558 3.375 31 HH11 ARG 4 HH11 ARG 4 -6.721 -2.021 3.933 32 HH12 ARG 4 HH12 ARG 4 -7.250 -1.811 5.569 33 HH21 ARG 4 HH21 ARG 4 -4.160 -0.728 6.710 34 HH22 ARG 4 HH22 ARG 4 -5.800 -1.080 7.141 35 H PHE 5 HN PHE 5 0.113 -1.113 -0.165 36 HA PHE 5 HA PHE 5 1.643 -3.245 1.193 37 HB2 PHE 5 HB2 PHE 5 0.775 -3.353 -1.454 38 HB3 PHE 5 HB1 PHE 5 2.457 -2.837 -1.566 39 HD1 PHE 5 HD1 PHE 5 4.269 -4.291 -0.910 40 HD2 PHE 5 HD2 PHE 5 0.183 -5.478 -0.316 41 HE1 PHE 5 HE1 PHE 5 5.013 -6.606 -0.421 42 HE2 PHE 5 HE2 PHE 5 0.928 -7.793 0.173 43 HZ PHE 5 HZ PHE 5 3.342 -8.357 0.120 44 H ARG 6 HN ARG 6 2.993 -2.032 2.407 45 HA ARG 6 HA ARG 6 4.255 0.349 1.279 46 HB2 ARG 6 HB2 ARG 6 3.551 -0.536 3.895 47 HB3 ARG 6 HB1 ARG 6 5.300 -0.318 3.849 48 HG2 ARG 6 HG2 ARG 6 5.032 1.948 2.976 49 HG3 ARG 6 HG1 ARG 6 3.282 1.738 2.903 50 HD2 ARG 6 HD2 ARG 6 4.272 2.967 4.962 51 HD3 ARG 6 HD1 ARG 6 3.061 1.720 5.245 52 HE ARG 6 HE ARG 6 5.813 0.786 5.307 53 HH11 ARG 6 HH11 ARG 6 6.499 -0.019 7.317 54 HH12 ARG 6 HH12 ARG 6 5.544 0.273 8.732 55 HH21 ARG 6 HH21 ARG 6 3.102 2.061 7.040 56 HH22 ARG 6 HH22 ARG 6 3.621 1.450 8.576 57 H PHE 7 HN PHE 7 6.435 0.553 0.861 58 HA PHE 7 HA PHE 7 8.340 -1.500 1.518 59 HB2 PHE 7 HB2 PHE 7 6.925 -2.360 -0.486 60 HB3 PHE 7 HB1 PHE 7 7.860 -1.198 -1.425 61 HD1 PHE 7 HD1 PHE 7 10.025 -1.738 -2.166 62 HD2 PHE 7 HD2 PHE 7 8.250 -3.994 1.030 63 HE1 PHE 7 HE1 PHE 7 11.937 -3.316 -2.218 64 HE2 PHE 7 HE2 PHE 7 10.162 -5.573 0.977 65 HZ PHE 7 HZ PHE 7 12.006 -5.234 -0.647 66 HA DPR 8 HA DPR 8 11.083 2.029 1.407 67 HB2 DPR 8 HB1 DPR 8 8.794 3.963 1.564 68 HB3 DPR 8 HB2 DPR 8 10.363 4.008 2.392 69 HG2 DPR 8 HG1 DPR 8 8.119 3.157 3.594 70 HG3 DPR 8 HG2 DPR 8 9.710 2.474 3.963 71 HD2 DPR 8 HD1 DPR 8 7.425 1.258 2.547 72 HD3 DPR 8 HD2 DPR 8 8.830 0.471 3.300 73 HA PRO 9 HA PRO 9 11.114 3.944 -2.636 74 HB2 PRO 9 HB2 PRO 9 12.321 1.951 -4.111 75 HB3 PRO 9 HB1 PRO 9 13.192 3.066 -3.043 76 HG2 PRO 9 HG2 PRO 9 12.336 0.260 -2.556 77 HG3 PRO 9 HG1 PRO 9 13.833 1.084 -2.087 78 HD2 PRO 9 HD2 PRO 9 11.807 0.636 -0.327 79 HD3 PRO 9 HD1 PRO 9 12.875 2.050 -0.211 80 H GLU 10 HN GLU 10 8.728 2.353 -1.804 81 HA GLU 10 HA GLU 10 7.288 2.357 -4.194 82 HB2 GLU 10 HB2 GLU 10 8.383 0.484 -5.058 83 HB3 GLU 10 HB1 GLU 10 8.539 -0.278 -3.475 84 HG2 GLU 10 HG2 GLU 10 6.286 -0.943 -3.432 85 HG3 GLU 10 HG1 GLU 10 5.819 0.234 -4.659 86 H ILE 11 HN ILE 11 5.256 2.656 -3.536 87 HA ILE 11 HA ILE 11 4.264 1.140 -1.219 88 HB ILE 11 HB ILE 11 5.004 3.336 -0.375 89 HG12 ILE 11 HG12 ILE 11 1.986 3.340 -0.512 90 HG13 ILE 11 HG11 ILE 11 2.861 2.109 0.399 91 HG21 ILE 11 HG21 ILE 11 4.182 4.278 -2.825 92 HG22 ILE 11 HG22 ILE 11 4.535 5.294 -1.427 93 HG23 ILE 11 HG23 ILE 11 2.873 4.814 -1.771 94 HD11 ILE 11 HD11 ILE 11 3.967 3.845 1.731 95 HD12 ILE 11 HD12 ILE 11 2.216 4.031 1.832 96 HD13 ILE 11 HD13 ILE 11 3.157 5.101 0.793 97 H ILE 12 HN ILE 12 2.079 0.699 -1.252 98 HA ILE 12 HA ILE 12 0.560 1.635 -3.608 99 HB ILE 12 HB ILE 12 0.616 -1.185 -2.504 100 HG12 ILE 12 HG12 ILE 12 1.513 -0.129 -5.203 101 HG13 ILE 12 HG11 ILE 12 2.615 -0.460 -3.866 102 HG21 ILE 12 HG21 ILE 12 -0.644 -1.101 -5.006 103 HG22 ILE 12 HG22 ILE 12 -1.297 0.284 -4.131 104 HG23 ILE 12 HG23 ILE 12 -1.429 -1.335 -3.444 105 HD11 ILE 12 HD11 ILE 12 2.574 -2.406 -5.314 106 HD12 ILE 12 HD12 ILE 12 0.811 -2.454 -5.264 107 HD13 ILE 12 HD13 ILE 12 1.744 -2.815 -3.812 108 H PHE 13 HN PHE 13 0.177 3.046 -1.445 109 HA PHE 13 HA PHE 13 -1.825 1.901 0.311 110 HB2 PHE 13 HB2 PHE 13 -0.101 4.210 0.306 111 HB3 PHE 13 HB1 PHE 13 -1.765 4.702 0.619 112 HD1 PHE 13 HD1 PHE 13 -2.567 4.569 2.811 113 HD2 PHE 13 HD2 PHE 13 0.661 2.007 1.594 114 HE1 PHE 13 HE1 PHE 13 -2.385 3.698 5.125 115 HE2 PHE 13 HE2 PHE 13 0.842 1.137 3.908 116 HZ PHE 13 HZ PHE 13 -0.681 1.982 5.674 117 H ASN 14 HN ASN 14 -3.999 2.360 0.338 118 HA ASN 14 HA ASN 14 -5.065 4.089 -1.798 119 HB2 ASN 14 HB2 ASN 14 -5.670 1.192 -1.308 120 HB3 ASN 14 HB1 ASN 14 -6.920 2.249 -1.962 121 HD21 ASN 14 HD21 ASN 14 -6.543 0.662 -3.899 122 HD22 ASN 14 HD22 ASN 14 -5.350 1.115 -5.019 123 H GLU 15 HN GLU 15 -7.179 4.910 -1.386 124 HA GLU 15 HA GLU 15 -7.704 5.280 1.449 125 HB2 GLU 15 HB2 GLU 15 -9.087 6.416 -0.995 126 HB3 GLU 15 HB1 GLU 15 -9.394 6.903 0.673 127 HG2 GLU 15 HG2 GLU 15 -7.465 8.108 0.814 128 HG3 GLU 15 HG1 GLU 15 -6.551 6.942 -0.141 129 H ARG 16 HN ARG 16 -8.115 2.698 1.093 130 HA ARG 16 HA ARG 16 -10.815 2.293 1.811 131 HB2 ARG 16 HB2 ARG 16 -11.454 2.575 -0.454 132 HB3 ARG 16 HB1 ARG 16 -10.074 1.646 -1.040 133 HG2 ARG 16 HG2 ARG 16 -11.023 -0.392 -0.465 134 HG3 ARG 16 HG1 ARG 16 -12.013 0.313 0.814 135 HD2 ARG 16 HD2 ARG 16 -13.330 -0.389 -1.208 136 HD3 ARG 16 HD1 ARG 16 -13.505 1.316 -0.802 137 HE ARG 16 HE ARG 16 -11.415 0.743 -2.736 138 HH11 ARG 16 HH11 ARG 16 -11.761 1.617 -4.804 139 HH12 ARG 16 HH12 ARG 16 -13.324 2.230 -5.229 140 HH21 ARG 16 HH21 ARG 16 -14.743 1.491 -2.153 141 HH22 ARG 16 HH22 ARG 16 -15.012 2.159 -3.728 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -9.594 -1.237 -1.561 2 HA2 GLY 1 HA2 GLY 1 -10.196 -3.299 -2.626 3 HA3 GLY 1 HA1 GLY 1 -10.282 -2.442 -4.163 4 H SER 2 HN SER 2 -7.809 -2.713 -1.601 5 HA SER 2 HA SER 2 -5.989 -4.335 -2.910 6 HB2 SER 2 HB2 SER 2 -5.585 -2.961 -4.717 7 HB3 SER 2 HB1 SER 2 -5.918 -1.489 -3.808 8 HG SER 2 HG SER 2 -3.578 -2.858 -4.166 9 H LYS 3 HN LYS 3 -5.617 -4.940 -0.788 10 HA LYS 3 HA LYS 3 -5.173 -3.547 1.476 11 HB2 LYS 3 HB2 LYS 3 -3.380 -5.296 2.029 12 HB3 LYS 3 HB1 LYS 3 -4.986 -5.898 1.617 13 HG2 LYS 3 HG2 LYS 3 -3.297 -5.528 -0.743 14 HG3 LYS 3 HG1 LYS 3 -2.603 -6.668 0.409 15 HD2 LYS 3 HD2 LYS 3 -4.735 -7.917 0.459 16 HD3 LYS 3 HD1 LYS 3 -5.420 -6.786 -0.709 17 HE2 LYS 3 HE2 LYS 3 -4.637 -8.187 -2.302 18 HE3 LYS 3 HE1 LYS 3 -3.039 -7.560 -1.901 19 HZ1 LYS 3 HZ1 LYS 3 -3.637 -10.123 -1.763 20 HZ2 LYS 3 HZ2 LYS 3 -4.092 -9.670 -0.190 21 HZ3 LYS 3 HZ3 LYS 3 -2.504 -9.398 -0.730 22 H ARG 4 HN ARG 4 -3.969 -1.853 2.002 23 HA ARG 4 HA ARG 4 -1.968 -0.716 0.409 24 HB2 ARG 4 HB2 ARG 4 -1.445 0.681 2.317 25 HB3 ARG 4 HB1 ARG 4 -3.193 0.456 2.251 26 HG2 ARG 4 HG2 ARG 4 -2.637 -1.625 3.814 27 HG3 ARG 4 HG1 ARG 4 -1.210 -0.661 4.193 28 HD2 ARG 4 HD2 ARG 4 -2.790 0.055 5.787 29 HD3 ARG 4 HD1 ARG 4 -2.867 1.295 4.540 30 HE ARG 4 HE ARG 4 -4.993 0.503 3.924 31 HH11 ARG 4 HH11 ARG 4 -6.889 -0.631 4.437 32 HH12 ARG 4 HH12 ARG 4 -6.850 -1.880 5.636 33 HH21 ARG 4 HH21 ARG 4 -3.465 -1.520 6.290 34 HH22 ARG 4 HH22 ARG 4 -4.915 -2.381 6.684 35 H PHE 5 HN PHE 5 0.081 -1.249 0.035 36 HA PHE 5 HA PHE 5 1.467 -2.980 1.994 37 HB2 PHE 5 HB2 PHE 5 0.657 -3.720 -0.585 38 HB3 PHE 5 HB1 PHE 5 2.387 -3.404 -0.713 39 HD1 PHE 5 HD1 PHE 5 -0.169 -5.274 1.264 40 HD2 PHE 5 HD2 PHE 5 3.978 -4.907 0.196 41 HE1 PHE 5 HE1 PHE 5 0.317 -7.426 2.398 42 HE2 PHE 5 HE2 PHE 5 4.461 -7.058 1.331 43 HZ PHE 5 HZ PHE 5 2.630 -8.317 2.432 44 H ARG 6 HN ARG 6 3.029 -1.772 2.851 45 HA ARG 6 HA ARG 6 4.368 0.270 1.244 46 HB2 ARG 6 HB2 ARG 6 3.687 0.059 3.959 47 HB3 ARG 6 HB1 ARG 6 5.444 -0.084 3.909 48 HG2 ARG 6 HG2 ARG 6 5.469 1.966 2.415 49 HG3 ARG 6 HG1 ARG 6 3.751 2.153 2.767 50 HD2 ARG 6 HD2 ARG 6 6.032 2.195 4.758 51 HD3 ARG 6 HD1 ARG 6 4.991 3.542 4.312 52 HE ARG 6 HE ARG 6 3.287 1.578 5.256 53 HH11 ARG 6 HH11 ARG 6 2.624 1.534 7.428 54 HH12 ARG 6 HH12 ARG 6 3.599 2.291 8.642 55 HH21 ARG 6 HH21 ARG 6 6.028 3.352 6.405 56 HH22 ARG 6 HH22 ARG 6 5.527 3.322 8.063 57 H PHE 7 HN PHE 7 6.148 -0.201 0.147 58 HA PHE 7 HA PHE 7 8.007 -2.230 1.211 59 HB2 PHE 7 HB2 PHE 7 6.342 -2.696 -0.919 60 HB3 PHE 7 HB1 PHE 7 7.809 -2.159 -1.723 61 HD1 PHE 7 HD1 PHE 7 6.762 -4.354 1.130 62 HD2 PHE 7 HD2 PHE 7 9.454 -3.766 -2.165 63 HE1 PHE 7 HE1 PHE 7 7.789 -6.566 1.576 64 HE2 PHE 7 HE2 PHE 7 10.482 -5.979 -1.719 65 HZ PHE 7 HZ PHE 7 9.649 -7.378 0.152 66 HA DPR 8 HA DPR 8 11.060 0.816 0.251 67 HB2 DPR 8 HB1 DPR 8 10.665 3.033 1.796 68 HB3 DPR 8 HB2 DPR 8 11.236 1.485 2.449 69 HG2 DPR 8 HG1 DPR 8 8.512 2.690 2.500 70 HG3 DPR 8 HG2 DPR 8 9.365 1.775 3.754 71 HD2 DPR 8 HD1 DPR 8 7.424 0.717 2.099 72 HD3 DPR 8 HD2 DPR 8 8.695 -0.246 2.884 73 HA PRO 9 HA PRO 9 9.962 4.793 -1.867 74 HB2 PRO 9 HB2 PRO 9 11.382 3.314 -4.038 75 HB3 PRO 9 HB1 PRO 9 11.568 4.998 -3.513 76 HG2 PRO 9 HG2 PRO 9 13.367 3.136 -2.888 77 HG3 PRO 9 HG1 PRO 9 12.951 4.447 -1.771 78 HD2 PRO 9 HD2 PRO 9 12.203 1.562 -1.648 79 HD3 PRO 9 HD1 PRO 9 12.449 2.723 -0.325 80 H GLU 10 HN GLU 10 9.044 1.590 -2.230 81 HA GLU 10 HA GLU 10 7.198 2.191 -4.459 82 HB2 GLU 10 HB2 GLU 10 8.111 -0.474 -3.347 83 HB3 GLU 10 HB1 GLU 10 6.982 -0.258 -4.686 84 HG2 GLU 10 HG2 GLU 10 8.741 -0.160 -6.082 85 HG3 GLU 10 HG1 GLU 10 9.219 1.347 -5.301 86 H ILE 11 HN ILE 11 5.746 3.337 -3.035 87 HA ILE 11 HA ILE 11 4.451 1.788 -0.921 88 HB ILE 11 HB ILE 11 5.001 4.145 -0.491 89 HG12 ILE 11 HG12 ILE 11 2.001 3.872 -0.767 90 HG13 ILE 11 HG11 ILE 11 2.916 2.981 0.450 91 HG21 ILE 11 HG21 ILE 11 4.528 4.676 -3.029 92 HG22 ILE 11 HG22 ILE 11 4.227 5.908 -1.804 93 HG23 ILE 11 HG23 ILE 11 2.886 4.967 -2.456 94 HD11 ILE 11 HD11 ILE 11 2.971 5.996 0.132 95 HD12 ILE 11 HD12 ILE 11 3.750 5.061 1.407 96 HD13 ILE 11 HD13 ILE 11 1.990 5.135 1.318 97 H ILE 12 HN ILE 12 2.266 1.232 -0.907 98 HA ILE 12 HA ILE 12 0.780 1.623 -3.422 99 HB ILE 12 HB ILE 12 0.739 -1.001 -1.942 100 HG12 ILE 12 HG12 ILE 12 2.545 -0.156 -4.232 101 HG13 ILE 12 HG11 ILE 12 3.061 -0.629 -2.612 102 HG21 ILE 12 HG21 ILE 12 -0.927 -0.032 -3.828 103 HG22 ILE 12 HG22 ILE 12 -0.514 -1.743 -3.719 104 HG23 ILE 12 HG23 ILE 12 0.323 -0.706 -4.875 105 HD11 ILE 12 HD11 ILE 12 3.312 -2.674 -3.614 106 HD12 ILE 12 HD12 ILE 12 2.125 -2.321 -4.869 107 HD13 ILE 12 HD13 ILE 12 1.590 -2.800 -3.259 108 H PHE 13 HN PHE 13 0.400 3.194 -1.238 109 HA PHE 13 HA PHE 13 -1.659 2.131 0.485 110 HB2 PHE 13 HB2 PHE 13 -0.168 4.681 0.213 111 HB3 PHE 13 HB1 PHE 13 -1.780 4.784 0.921 112 HD1 PHE 13 HD1 PHE 13 -1.394 5.088 3.231 113 HD2 PHE 13 HD2 PHE 13 0.704 1.996 1.111 114 HE1 PHE 13 HE1 PHE 13 -0.509 4.216 5.377 115 HE2 PHE 13 HE2 PHE 13 1.590 1.125 3.257 116 HZ PHE 13 HZ PHE 13 0.983 2.234 5.390 117 H ASN 14 HN ASN 14 -3.631 1.768 -0.299 118 HA ASN 14 HA ASN 14 -5.174 3.900 -1.438 119 HB2 ASN 14 HB2 ASN 14 -4.069 1.749 -3.201 120 HB3 ASN 14 HB1 ASN 14 -5.695 2.354 -3.512 121 HD21 ASN 14 HD21 ASN 14 -5.558 5.045 -3.082 122 HD22 ASN 14 HD22 ASN 14 -4.370 5.766 -4.058 123 H GLU 15 HN GLU 15 -6.409 3.323 0.424 124 HA GLU 15 HA GLU 15 -7.511 0.700 0.749 125 HB2 GLU 15 HB2 GLU 15 -8.059 3.385 1.994 126 HB3 GLU 15 HB1 GLU 15 -9.090 1.997 2.338 127 HG2 GLU 15 HG2 GLU 15 -7.108 0.708 3.061 128 HG3 GLU 15 HG1 GLU 15 -6.086 2.107 2.736 129 H ARG 16 HN ARG 16 -8.205 0.608 -1.586 130 HA ARG 16 HA ARG 16 -11.051 1.156 -1.723 131 HB2 ARG 16 HB2 ARG 16 -9.522 3.148 -2.681 132 HB3 ARG 16 HB1 ARG 16 -9.554 2.111 -4.106 133 HG2 ARG 16 HG2 ARG 16 -12.019 2.071 -4.031 134 HG3 ARG 16 HG1 ARG 16 -11.996 3.098 -2.596 135 HD2 ARG 16 HD2 ARG 16 -10.486 4.078 -4.966 136 HD3 ARG 16 HD1 ARG 16 -12.243 4.099 -5.081 137 HE ARG 16 HE ARG 16 -10.601 5.739 -3.322 138 HH11 ARG 16 HH11 ARG 16 -11.743 7.336 -2.180 139 HH12 ARG 16 HH12 ARG 16 -13.474 7.287 -2.130 140 HH21 ARG 16 HH21 ARG 16 -13.713 4.420 -4.065 141 HH22 ARG 16 HH22 ARG 16 -14.589 5.637 -3.198 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -9.440 0.983 -0.356 2 HA2 GLY 1 HA2 GLY 1 -10.234 -1.002 1.669 3 HA3 GLY 1 HA1 GLY 1 -11.209 -0.482 0.297 4 H SER 2 HN SER 2 -7.820 -1.543 0.366 5 HA SER 2 HA SER 2 -8.565 -3.919 -1.213 6 HB2 SER 2 HB2 SER 2 -6.657 -3.529 -2.698 7 HB3 SER 2 HB1 SER 2 -7.780 -2.174 -2.761 8 HG SER 2 HG SER 2 -5.191 -2.276 -1.908 9 H LYS 3 HN LYS 3 -5.284 -3.104 -0.935 10 HA LYS 3 HA LYS 3 -4.815 -4.505 1.558 11 HB2 LYS 3 HB2 LYS 3 -3.150 -6.018 0.066 12 HB3 LYS 3 HB1 LYS 3 -4.780 -6.527 0.505 13 HG2 LYS 3 HG2 LYS 3 -5.664 -5.728 -1.605 14 HG3 LYS 3 HG1 LYS 3 -4.109 -5.014 -2.033 15 HD2 LYS 3 HD2 LYS 3 -3.397 -6.972 -2.883 16 HD3 LYS 3 HD1 LYS 3 -3.736 -7.791 -1.358 17 HE2 LYS 3 HE2 LYS 3 -6.119 -8.000 -2.021 18 HE3 LYS 3 HE1 LYS 3 -5.741 -7.238 -3.566 19 HZ1 LYS 3 HZ1 LYS 3 -3.900 -9.271 -3.230 20 HZ2 LYS 3 HZ2 LYS 3 -5.207 -9.236 -4.315 21 HZ3 LYS 3 HZ3 LYS 3 -5.394 -9.934 -2.778 22 H ARG 4 HN ARG 4 -3.869 -2.440 2.022 23 HA ARG 4 HA ARG 4 -1.876 -1.149 0.580 24 HB2 ARG 4 HB2 ARG 4 -2.150 -1.362 3.588 25 HB3 ARG 4 HB1 ARG 4 -1.192 -0.156 2.729 26 HG2 ARG 4 HG2 ARG 4 -3.018 1.128 2.465 27 HG3 ARG 4 HG1 ARG 4 -3.822 -0.181 1.599 28 HD2 ARG 4 HD2 ARG 4 -3.711 0.054 4.618 29 HD3 ARG 4 HD1 ARG 4 -5.075 0.572 3.632 30 HE ARG 4 HE ARG 4 -4.285 -2.183 3.203 31 HH11 ARG 4 HH11 ARG 4 -5.818 -3.736 3.835 32 HH12 ARG 4 HH12 ARG 4 -7.148 -3.271 4.843 33 HH21 ARG 4 HH21 ARG 4 -6.181 0.053 5.041 34 HH22 ARG 4 HH22 ARG 4 -7.353 -1.126 5.526 35 H PHE 5 HN PHE 5 0.156 -1.622 0.069 36 HA PHE 5 HA PHE 5 1.636 -3.547 1.740 37 HB2 PHE 5 HB2 PHE 5 0.552 -4.245 -0.702 38 HB3 PHE 5 HB1 PHE 5 2.208 -3.806 -1.119 39 HD1 PHE 5 HD1 PHE 5 4.122 -4.857 0.195 40 HD2 PHE 5 HD2 PHE 5 0.073 -6.275 0.425 41 HE1 PHE 5 HE1 PHE 5 4.928 -7.009 1.129 42 HE2 PHE 5 HE2 PHE 5 0.880 -8.426 1.359 43 HZ PHE 5 HZ PHE 5 3.308 -8.794 1.710 44 H ARG 6 HN ARG 6 3.063 -2.097 2.576 45 HA ARG 6 HA ARG 6 4.279 -0.010 1.049 46 HB2 ARG 6 HB2 ARG 6 4.241 -0.924 3.796 47 HB3 ARG 6 HB1 ARG 6 5.877 -0.512 3.289 48 HG2 ARG 6 HG2 ARG 6 5.049 1.680 2.457 49 HG3 ARG 6 HG1 ARG 6 3.434 1.267 3.034 50 HD2 ARG 6 HD2 ARG 6 5.616 2.396 4.504 51 HD3 ARG 6 HD1 ARG 6 3.987 2.050 5.066 52 HE ARG 6 HE ARG 6 6.328 0.295 5.323 53 HH11 ARG 6 HH11 ARG 6 6.095 -1.328 6.882 54 HH12 ARG 6 HH12 ARG 6 4.549 -1.614 7.609 55 HH21 ARG 6 HH21 ARG 6 2.935 0.866 5.812 56 HH22 ARG 6 HH22 ARG 6 2.769 -0.375 7.006 57 H PHE 7 HN PHE 7 6.556 0.166 0.553 58 HA PHE 7 HA PHE 7 8.277 -2.134 0.626 59 HB2 PHE 7 HB2 PHE 7 6.705 -2.738 -1.215 60 HB3 PHE 7 HB1 PHE 7 7.226 -1.292 -2.078 61 HD1 PHE 7 HD1 PHE 7 9.153 -1.343 -3.425 62 HD2 PHE 7 HD2 PHE 7 8.548 -4.401 -0.471 63 HE1 PHE 7 HE1 PHE 7 11.128 -2.569 -4.290 64 HE2 PHE 7 HE2 PHE 7 10.523 -5.628 -1.336 65 HZ PHE 7 HZ PHE 7 11.812 -4.711 -3.245 66 HA DPR 8 HA DPR 8 11.226 1.108 0.030 67 HB2 DPR 8 HB1 DPR 8 10.946 2.970 2.017 68 HB3 DPR 8 HB2 DPR 8 11.619 1.350 2.286 69 HG2 DPR 8 HG1 DPR 8 8.877 2.393 2.828 70 HG3 DPR 8 HG2 DPR 8 9.885 1.310 3.803 71 HD2 DPR 8 HD1 DPR 8 7.826 0.449 2.199 72 HD3 DPR 8 HD2 DPR 8 9.240 -0.554 2.601 73 HA PRO 9 HA PRO 9 9.897 5.414 -1.093 74 HB2 PRO 9 HB2 PRO 9 11.198 4.496 -3.616 75 HB3 PRO 9 HB1 PRO 9 11.380 6.032 -2.749 76 HG2 PRO 9 HG2 PRO 9 13.260 4.144 -2.660 77 HG3 PRO 9 HG1 PRO 9 12.897 5.171 -1.262 78 HD2 PRO 9 HD2 PRO 9 12.227 2.301 -1.713 79 HD3 PRO 9 HD1 PRO 9 12.534 3.164 -0.190 80 H GLU 10 HN GLU 10 9.042 2.334 -2.089 81 HA GLU 10 HA GLU 10 6.950 3.354 -3.916 82 HB2 GLU 10 HB2 GLU 10 7.636 0.459 -3.862 83 HB3 GLU 10 HB1 GLU 10 7.152 1.478 -5.218 84 HG2 GLU 10 HG2 GLU 10 9.453 2.661 -4.807 85 HG3 GLU 10 HG1 GLU 10 9.865 1.171 -3.961 86 H ILE 11 HN ILE 11 5.164 3.628 -2.712 87 HA ILE 11 HA ILE 11 4.415 1.497 -0.805 88 HB ILE 11 HB ILE 11 4.736 3.770 0.160 89 HG12 ILE 11 HG12 ILE 11 1.785 3.209 0.235 90 HG13 ILE 11 HG11 ILE 11 2.902 2.004 0.872 91 HG21 ILE 11 HG21 ILE 11 2.228 4.718 -1.123 92 HG22 ILE 11 HG22 ILE 11 3.670 4.701 -2.137 93 HG23 ILE 11 HG23 ILE 11 3.657 5.628 -0.637 94 HD11 ILE 11 HD11 ILE 11 2.768 4.912 1.724 95 HD12 ILE 11 HD12 ILE 11 3.902 3.716 2.350 96 HD13 ILE 11 HD13 ILE 11 2.176 3.538 2.656 97 H ILE 12 HN ILE 12 2.327 0.649 -0.850 98 HA ILE 12 HA ILE 12 0.759 1.286 -3.281 99 HB ILE 12 HB ILE 12 1.033 -1.363 -1.839 100 HG12 ILE 12 HG12 ILE 12 1.847 -0.749 -4.677 101 HG13 ILE 12 HG11 ILE 12 2.952 -0.423 -3.340 102 HG21 ILE 12 HG21 ILE 12 -0.979 -1.774 -2.787 103 HG22 ILE 12 HG22 ILE 12 -0.127 -1.763 -4.332 104 HG23 ILE 12 HG23 ILE 12 -0.913 -0.296 -3.748 105 HD11 ILE 12 HD11 ILE 12 2.836 -2.817 -4.596 106 HD12 ILE 12 HD12 ILE 12 1.641 -3.089 -3.327 107 HD13 ILE 12 HD13 ILE 12 3.294 -2.645 -2.902 108 H PHE 13 HN PHE 13 0.231 2.848 -1.166 109 HA PHE 13 HA PHE 13 -1.808 1.712 0.539 110 HB2 PHE 13 HB2 PHE 13 -0.327 4.223 0.346 111 HB3 PHE 13 HB1 PHE 13 -2.030 4.463 0.736 112 HD1 PHE 13 HD1 PHE 13 0.411 1.739 1.597 113 HD2 PHE 13 HD2 PHE 13 -2.259 4.783 3.041 114 HE1 PHE 13 HE1 PHE 13 0.840 1.012 3.929 115 HE2 PHE 13 HE2 PHE 13 -1.829 4.053 5.371 116 HZ PHE 13 HZ PHE 13 -0.280 2.169 5.815 117 H ASN 14 HN ASN 14 -1.948 2.079 -2.575 118 HA ASN 14 HA ASN 14 -4.125 3.818 -3.094 119 HB2 ASN 14 HB2 ASN 14 -4.256 2.724 -5.245 120 HB3 ASN 14 HB1 ASN 14 -2.556 2.924 -4.824 121 HD21 ASN 14 HD21 ASN 14 -3.144 0.941 -6.675 122 HD22 ASN 14 HD22 ASN 14 -2.983 -0.592 -5.964 123 H GLU 15 HN GLU 15 -6.318 3.280 -3.573 124 HA GLU 15 HA GLU 15 -8.341 2.403 -2.896 125 HB2 GLU 15 HB2 GLU 15 -6.837 -0.154 -3.507 126 HB3 GLU 15 HB1 GLU 15 -8.590 -0.003 -3.381 127 HG2 GLU 15 HG2 GLU 15 -6.890 1.575 -5.331 128 HG3 GLU 15 HG1 GLU 15 -7.744 0.090 -5.744 129 H ARG 16 HN ARG 16 -7.654 3.198 -0.674 130 HA ARG 16 HA ARG 16 -6.559 1.784 1.367 131 HB2 ARG 16 HB2 ARG 16 -8.349 2.862 2.847 132 HB3 ARG 16 HB1 ARG 16 -7.376 3.952 1.859 133 HG2 ARG 16 HG2 ARG 16 -9.741 2.962 0.444 134 HG3 ARG 16 HG1 ARG 16 -10.148 3.864 1.905 135 HD2 ARG 16 HD2 ARG 16 -8.261 4.851 -0.253 136 HD3 ARG 16 HD1 ARG 16 -9.952 5.324 -0.113 137 HE ARG 16 HE ARG 16 -7.758 6.200 1.592 138 HH11 ARG 16 HH11 ARG 16 -8.306 7.835 3.070 139 HH12 ARG 16 HH12 ARG 16 -9.972 8.218 3.351 140 HH21 ARG 16 HH21 ARG 16 -11.169 5.844 1.125 141 HH22 ARG 16 HH22 ARG 16 -11.593 7.091 2.250 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -4.613 -1.326 -5.795 2 HA2 GLY 1 HA2 GLY 1 -7.444 -2.109 -6.162 3 HA3 GLY 1 HA1 GLY 1 -6.214 -3.130 -5.429 4 H SER 2 HN SER 2 -5.754 -2.916 -3.256 5 HA SER 2 HA SER 2 -6.383 -0.667 -1.670 6 HB2 SER 2 HB2 SER 2 -8.696 -1.140 -1.979 7 HB3 SER 2 HB1 SER 2 -8.448 -2.868 -1.747 8 HG SER 2 HG SER 2 -8.019 -2.498 0.401 9 H LYS 3 HN LYS 3 -4.386 -2.833 -2.105 10 HA LYS 3 HA LYS 3 -4.360 -4.113 0.548 11 HB2 LYS 3 HB2 LYS 3 -3.742 -5.086 -1.993 12 HB3 LYS 3 HB1 LYS 3 -2.173 -4.839 -1.225 13 HG2 LYS 3 HG2 LYS 3 -3.054 -6.078 0.788 14 HG3 LYS 3 HG1 LYS 3 -4.493 -6.468 -0.154 15 HD2 LYS 3 HD2 LYS 3 -3.008 -7.506 -1.889 16 HD3 LYS 3 HD1 LYS 3 -1.636 -7.237 -0.812 17 HE2 LYS 3 HE2 LYS 3 -3.387 -8.465 0.884 18 HE3 LYS 3 HE1 LYS 3 -3.798 -9.245 -0.644 19 HZ1 LYS 3 HZ1 LYS 3 -1.708 -9.899 0.968 20 HZ2 LYS 3 HZ2 LYS 3 -0.974 -8.980 -0.258 21 HZ3 LYS 3 HZ3 LYS 3 -1.888 -10.356 -0.656 22 H ARG 4 HN ARG 4 -3.469 -2.772 2.019 23 HA ARG 4 HA ARG 4 -1.498 -0.816 1.416 24 HB2 ARG 4 HB2 ARG 4 -2.651 -1.953 3.934 25 HB3 ARG 4 HB1 ARG 4 -1.209 -0.940 4.019 26 HG2 ARG 4 HG2 ARG 4 -2.315 0.933 3.139 27 HG3 ARG 4 HG1 ARG 4 -3.604 -0.042 2.434 28 HD2 ARG 4 HD2 ARG 4 -3.139 0.362 5.402 29 HD3 ARG 4 HD1 ARG 4 -4.381 1.169 4.448 30 HE ARG 4 HE ARG 4 -4.910 -1.441 3.980 31 HH11 ARG 4 HH11 ARG 4 -6.199 -2.758 5.309 32 HH12 ARG 4 HH12 ARG 4 -6.344 -2.398 6.997 33 HH21 ARG 4 HH21 ARG 4 -4.273 0.380 6.852 34 HH22 ARG 4 HH22 ARG 4 -5.254 -0.621 7.870 35 H PHE 5 HN PHE 5 0.090 -2.029 0.261 36 HA PHE 5 HA PHE 5 1.800 -3.714 1.986 37 HB2 PHE 5 HB2 PHE 5 0.701 -4.229 -0.569 38 HB3 PHE 5 HB1 PHE 5 2.429 -3.994 -0.806 39 HD1 PHE 5 HD1 PHE 5 -0.116 -5.934 1.069 40 HD2 PHE 5 HD2 PHE 5 4.036 -5.562 0.035 41 HE1 PHE 5 HE1 PHE 5 0.321 -8.184 2.017 42 HE2 PHE 5 HE2 PHE 5 4.474 -7.812 0.981 43 HZ PHE 5 HZ PHE 5 2.616 -9.122 1.972 44 H ARG 6 HN ARG 6 2.876 -1.886 2.847 45 HA ARG 6 HA ARG 6 4.134 0.103 1.278 46 HB2 ARG 6 HB2 ARG 6 3.945 -0.634 4.060 47 HB3 ARG 6 HB1 ARG 6 5.608 -0.222 3.651 48 HG2 ARG 6 HG2 ARG 6 4.859 1.905 2.667 49 HG3 ARG 6 HG1 ARG 6 3.184 1.489 3.031 50 HD2 ARG 6 HD2 ARG 6 5.410 1.912 5.042 51 HD3 ARG 6 HD1 ARG 6 4.037 2.979 4.762 52 HE ARG 6 HE ARG 6 2.818 0.655 5.393 53 HH11 ARG 6 HH11 ARG 6 2.388 -0.058 7.508 54 HH12 ARG 6 HH12 ARG 6 3.390 0.475 8.816 55 HH21 ARG 6 HH21 ARG 6 5.444 2.411 6.802 56 HH22 ARG 6 HH22 ARG 6 5.120 1.873 8.416 57 H PHE 7 HN PHE 7 6.344 0.346 0.728 58 HA PHE 7 HA PHE 7 8.177 -1.880 1.072 59 HB2 PHE 7 HB2 PHE 7 6.650 -2.399 -0.930 60 HB3 PHE 7 HB1 PHE 7 7.504 -1.094 -1.753 61 HD1 PHE 7 HD1 PHE 7 9.607 -1.478 -2.742 62 HD2 PHE 7 HD2 PHE 7 8.077 -4.265 0.145 63 HE1 PHE 7 HE1 PHE 7 11.492 -3.015 -3.229 64 HE2 PHE 7 HE2 PHE 7 9.962 -5.802 -0.340 65 HZ PHE 7 HZ PHE 7 11.669 -5.178 -2.027 66 HA DPR 8 HA DPR 8 10.877 1.668 1.078 67 HB2 DPR 8 HB1 DPR 8 8.989 3.837 1.788 68 HB3 DPR 8 HB2 DPR 8 10.465 3.307 2.615 69 HG2 DPR 8 HG1 DPR 8 8.011 2.798 3.572 70 HG3 DPR 8 HG2 DPR 8 9.367 1.678 3.790 71 HD2 DPR 8 HD1 DPR 8 7.041 1.518 1.900 72 HD3 DPR 8 HD2 DPR 8 7.879 0.217 2.773 73 HA PRO 9 HA PRO 9 10.839 4.651 -2.347 74 HB2 PRO 9 HB2 PRO 9 11.591 2.227 -3.918 75 HB3 PRO 9 HB1 PRO 9 12.335 3.836 -3.904 76 HG2 PRO 9 HG2 PRO 9 13.418 1.730 -2.640 77 HG3 PRO 9 HG1 PRO 9 13.584 3.393 -2.054 78 HD2 PRO 9 HD2 PRO 9 12.002 1.169 -0.919 79 HD3 PRO 9 HD1 PRO 9 12.580 2.658 -0.141 80 H GLU 10 HN GLU 10 8.980 1.828 -2.044 81 HA GLU 10 HA GLU 10 7.078 2.820 -4.068 82 HB2 GLU 10 HB2 GLU 10 8.086 -0.009 -3.752 83 HB3 GLU 10 HB1 GLU 10 6.583 0.376 -4.588 84 HG2 GLU 10 HG2 GLU 10 7.678 1.107 -6.423 85 HG3 GLU 10 HG1 GLU 10 8.797 2.069 -5.462 86 H ILE 11 HN ILE 11 4.922 2.561 -3.552 87 HA ILE 11 HA ILE 11 4.263 1.184 -1.039 88 HB ILE 11 HB ILE 11 4.651 3.583 -0.513 89 HG12 ILE 11 HG12 ILE 11 1.720 2.812 -0.395 90 HG13 ILE 11 HG11 ILE 11 2.949 2.166 0.692 91 HG21 ILE 11 HG21 ILE 11 2.171 4.301 -2.014 92 HG22 ILE 11 HG22 ILE 11 3.665 4.138 -2.938 93 HG23 ILE 11 HG23 ILE 11 3.568 5.299 -1.613 94 HD11 ILE 11 HD11 ILE 11 1.844 4.053 1.771 95 HD12 ILE 11 HD12 ILE 11 2.179 5.082 0.377 96 HD13 ILE 11 HD13 ILE 11 3.505 4.500 1.384 97 H ILE 12 HN ILE 12 2.373 0.118 -1.104 98 HA ILE 12 HA ILE 12 0.703 0.457 -3.518 99 HB ILE 12 HB ILE 12 0.782 -1.914 -1.641 100 HG12 ILE 12 HG12 ILE 12 2.223 -1.453 -4.275 101 HG13 ILE 12 HG11 ILE 12 2.985 -1.611 -2.692 102 HG21 ILE 12 HG21 ILE 12 0.007 -2.338 -4.418 103 HG22 ILE 12 HG22 ILE 12 -1.026 -1.144 -3.636 104 HG23 ILE 12 HG23 ILE 12 -0.861 -2.756 -2.942 105 HD11 ILE 12 HD11 ILE 12 2.048 -3.694 -4.503 106 HD12 ILE 12 HD12 ILE 12 1.355 -3.870 -2.890 107 HD13 ILE 12 HD13 ILE 12 3.106 -3.829 -3.098 108 H PHE 13 HN PHE 13 0.067 2.396 -1.970 109 HA PHE 13 HA PHE 13 -1.912 1.616 0.026 110 HB2 PHE 13 HB2 PHE 13 -0.315 3.972 -0.557 111 HB3 PHE 13 HB1 PHE 13 -2.007 4.384 -0.285 112 HD1 PHE 13 HD1 PHE 13 -2.338 5.083 1.921 113 HD2 PHE 13 HD2 PHE 13 0.280 1.760 1.144 114 HE1 PHE 13 HE1 PHE 13 -2.022 4.758 4.357 115 HE2 PHE 13 HE2 PHE 13 0.592 1.441 3.582 116 HZ PHE 13 HZ PHE 13 -0.558 2.939 5.188 117 H ASN 14 HN ASN 14 -3.929 3.233 -0.066 118 HA ASN 14 HA ASN 14 -5.764 2.346 -1.822 119 HB2 ASN 14 HB2 ASN 14 -6.386 3.862 -0.051 120 HB3 ASN 14 HB1 ASN 14 -5.482 5.177 -0.800 121 HD21 ASN 14 HD21 ASN 14 -6.277 5.811 -3.079 122 HD22 ASN 14 HD22 ASN 14 -7.943 5.704 -3.379 123 H GLU 15 HN GLU 15 -4.915 1.924 -3.874 124 HA GLU 15 HA GLU 15 -5.037 4.174 -5.707 125 HB2 GLU 15 HB2 GLU 15 -2.534 2.504 -5.403 126 HB3 GLU 15 HB1 GLU 15 -2.852 3.584 -6.761 127 HG2 GLU 15 HG2 GLU 15 -3.192 5.431 -5.017 128 HG3 GLU 15 HG1 GLU 15 -2.479 4.316 -3.854 129 H ARG 16 HN ARG 16 -3.284 1.372 -6.589 130 HA ARG 16 HA ARG 16 -4.897 0.670 -8.743 131 HB2 ARG 16 HB2 ARG 16 -2.490 -0.154 -7.977 132 HB3 ARG 16 HB1 ARG 16 -3.416 -1.495 -7.308 133 HG2 ARG 16 HG2 ARG 16 -3.514 -0.545 -10.188 134 HG3 ARG 16 HG1 ARG 16 -2.684 -1.989 -9.611 135 HD2 ARG 16 HD2 ARG 16 -5.651 -1.446 -9.685 136 HD3 ARG 16 HD1 ARG 16 -4.766 -2.777 -10.423 137 HE ARG 16 HE ARG 16 -5.601 -2.586 -7.640 138 HH11 ARG 16 HH11 ARG 16 -5.254 -4.467 -6.418 139 HH12 ARG 16 HH12 ARG 16 -4.248 -5.730 -7.047 140 HH21 ARG 16 HH21 ARG 16 -3.555 -4.065 -10.008 141 HH22 ARG 16 HH22 ARG 16 -3.287 -5.502 -9.080 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -3.913 -2.061 -5.515 2 HA2 GLY 1 HA2 GLY 1 -4.566 -4.655 -6.503 3 HA3 GLY 1 HA1 GLY 1 -3.649 -4.303 -5.042 4 H SER 2 HN SER 2 -4.887 -3.698 -3.106 5 HA SER 2 HA SER 2 -7.562 -3.746 -2.667 6 HB2 SER 2 HB2 SER 2 -8.147 -5.789 -3.514 7 HB3 SER 2 HB1 SER 2 -6.542 -6.467 -3.259 8 HG SER 2 HG SER 2 -8.492 -5.906 -1.267 9 H LYS 3 HN LYS 3 -4.408 -4.541 -1.671 10 HA LYS 3 HA LYS 3 -5.138 -3.974 1.119 11 HB2 LYS 3 HB2 LYS 3 -4.066 -6.493 0.077 12 HB3 LYS 3 HB1 LYS 3 -3.102 -5.815 1.391 13 HG2 LYS 3 HG2 LYS 3 -5.094 -5.642 2.803 14 HG3 LYS 3 HG1 LYS 3 -6.106 -6.233 1.484 15 HD2 LYS 3 HD2 LYS 3 -4.877 -8.366 1.481 16 HD3 LYS 3 HD1 LYS 3 -3.846 -7.780 2.787 17 HE2 LYS 3 HE2 LYS 3 -5.753 -9.240 3.559 18 HE3 LYS 3 HE1 LYS 3 -5.724 -7.641 4.300 19 HZ1 LYS 3 HZ1 LYS 3 -7.656 -7.113 3.367 20 HZ2 LYS 3 HZ2 LYS 3 -7.830 -8.760 2.987 21 HZ3 LYS 3 HZ3 LYS 3 -7.184 -7.686 1.842 22 H ARG 4 HN ARG 4 -4.036 -2.200 1.638 23 HA ARG 4 HA ARG 4 -1.965 -1.004 0.300 24 HB2 ARG 4 HB2 ARG 4 -1.464 0.201 2.356 25 HB3 ARG 4 HB1 ARG 4 -3.210 0.018 2.188 26 HG2 ARG 4 HG2 ARG 4 -2.684 -2.238 3.557 27 HG3 ARG 4 HG1 ARG 4 -1.355 -1.238 4.146 28 HD2 ARG 4 HD2 ARG 4 -2.979 0.537 4.745 29 HD3 ARG 4 HD1 ARG 4 -4.294 -0.502 4.205 30 HE ARG 4 HE ARG 4 -2.757 -0.780 6.661 31 HH11 ARG 4 HH11 ARG 4 -3.538 -2.364 8.090 32 HH12 ARG 4 HH12 ARG 4 -4.717 -3.510 7.543 33 HH21 ARG 4 HH21 ARG 4 -4.873 -2.216 4.330 34 HH22 ARG 4 HH22 ARG 4 -5.472 -3.427 5.416 35 H PHE 5 HN PHE 5 0.155 -1.343 0.030 36 HA PHE 5 HA PHE 5 1.544 -3.205 1.846 37 HB2 PHE 5 HB2 PHE 5 0.718 -3.953 -0.680 38 HB3 PHE 5 HB1 PHE 5 2.386 -3.446 -0.945 39 HD1 PHE 5 HD1 PHE 5 4.243 -4.642 0.045 40 HD2 PHE 5 HD2 PHE 5 0.190 -5.770 0.913 41 HE1 PHE 5 HE1 PHE 5 5.050 -6.754 1.064 42 HE2 PHE 5 HE2 PHE 5 0.997 -7.884 1.931 43 HZ PHE 5 HZ PHE 5 3.426 -8.374 2.007 44 H ARG 6 HN ARG 6 2.971 -1.852 2.777 45 HA ARG 6 HA ARG 6 4.242 0.281 1.286 46 HB2 ARG 6 HB2 ARG 6 3.818 -0.409 4.056 47 HB3 ARG 6 HB1 ARG 6 5.517 -0.041 3.771 48 HG2 ARG 6 HG2 ARG 6 4.931 2.098 2.757 49 HG3 ARG 6 HG1 ARG 6 3.214 1.720 2.885 50 HD2 ARG 6 HD2 ARG 6 5.137 2.048 5.204 51 HD3 ARG 6 HD1 ARG 6 3.900 3.204 4.717 52 HE ARG 6 HE ARG 6 2.469 0.932 5.136 53 HH11 ARG 6 HH11 ARG 6 1.622 0.321 7.152 54 HH12 ARG 6 HH12 ARG 6 2.384 0.869 8.608 55 HH21 ARG 6 HH21 ARG 6 4.859 2.650 6.956 56 HH22 ARG 6 HH22 ARG 6 4.218 2.187 8.497 57 H PHE 7 HN PHE 7 6.357 0.373 0.630 58 HA PHE 7 HA PHE 7 8.188 -1.810 1.274 59 HB2 PHE 7 HB2 PHE 7 6.837 -2.521 -0.736 60 HB3 PHE 7 HB1 PHE 7 7.561 -1.170 -1.609 61 HD1 PHE 7 HD1 PHE 7 9.653 -1.426 -2.642 62 HD2 PHE 7 HD2 PHE 7 8.477 -4.157 0.458 63 HE1 PHE 7 HE1 PHE 7 11.678 -2.790 -3.075 64 HE2 PHE 7 HE2 PHE 7 10.503 -5.522 0.025 65 HZ PHE 7 HZ PHE 7 12.104 -4.837 -1.742 66 HA DPR 8 HA DPR 8 10.883 1.766 1.304 67 HB2 DPR 8 HB1 DPR 8 8.888 3.956 1.530 68 HB3 DPR 8 HB2 DPR 8 10.296 3.601 2.548 69 HG2 DPR 8 HG1 DPR 8 7.806 3.105 3.364 70 HG3 DPR 8 HG2 DPR 8 9.157 2.039 3.789 71 HD2 DPR 8 HD1 DPR 8 6.990 1.660 1.743 72 HD3 DPR 8 HD2 DPR 8 7.757 0.460 2.808 73 HA PRO 9 HA PRO 9 11.416 4.214 -2.451 74 HB2 PRO 9 HB2 PRO 9 11.915 1.520 -3.652 75 HB3 PRO 9 HB1 PRO 9 12.853 3.016 -3.819 76 HG2 PRO 9 HG2 PRO 9 13.616 1.015 -2.206 77 HG3 PRO 9 HG1 PRO 9 13.942 2.716 -1.837 78 HD2 PRO 9 HD2 PRO 9 12.067 0.858 -0.517 79 HD3 PRO 9 HD1 PRO 9 12.753 2.384 0.080 80 H GLU 10 HN GLU 10 9.253 1.590 -2.063 81 HA GLU 10 HA GLU 10 7.507 2.684 -4.162 82 HB2 GLU 10 HB2 GLU 10 7.965 -0.283 -3.799 83 HB3 GLU 10 HB1 GLU 10 6.989 0.502 -5.040 84 HG2 GLU 10 HG2 GLU 10 9.290 1.752 -5.541 85 HG3 GLU 10 HG1 GLU 10 9.961 0.295 -4.812 86 H ILE 11 HN ILE 11 5.310 2.510 -3.738 87 HA ILE 11 HA ILE 11 4.408 1.035 -1.391 88 HB ILE 11 HB ILE 11 4.984 3.033 -0.267 89 HG12 ILE 11 HG12 ILE 11 2.124 3.597 -1.064 90 HG13 ILE 11 HG11 ILE 11 2.541 2.199 -0.071 91 HG21 ILE 11 HG21 ILE 11 4.162 5.270 -1.220 92 HG22 ILE 11 HG22 ILE 11 3.880 4.398 -2.726 93 HG23 ILE 11 HG23 ILE 11 5.509 4.505 -2.061 94 HD11 ILE 11 HD11 ILE 11 3.581 3.650 1.594 95 HD12 ILE 11 HD12 ILE 11 1.927 4.186 1.300 96 HD13 ILE 11 HD13 ILE 11 3.280 5.063 0.584 97 H ILE 12 HN ILE 12 2.137 0.767 -1.313 98 HA ILE 12 HA ILE 12 0.618 1.769 -3.626 99 HB ILE 12 HB ILE 12 1.370 -0.474 -4.253 100 HG12 ILE 12 HG12 ILE 12 -1.437 -1.038 -3.462 101 HG13 ILE 12 HG11 ILE 12 -1.181 0.452 -4.371 102 HG21 ILE 12 HG21 ILE 12 1.040 -0.974 -1.491 103 HG22 ILE 12 HG22 ILE 12 1.580 -2.112 -2.725 104 HG23 ILE 12 HG23 ILE 12 -0.132 -1.999 -2.317 105 HD11 ILE 12 HD11 ILE 12 0.069 -2.126 -5.296 106 HD12 ILE 12 HD12 ILE 12 -0.313 -0.684 -6.235 107 HD13 ILE 12 HD13 ILE 12 -1.607 -1.752 -5.697 108 H PHE 13 HN PHE 13 0.011 3.150 -1.685 109 HA PHE 13 HA PHE 13 -1.787 1.869 0.221 110 HB2 PHE 13 HB2 PHE 13 -0.286 4.351 0.072 111 HB3 PHE 13 HB1 PHE 13 -1.962 4.636 0.541 112 HD1 PHE 13 HD1 PHE 13 0.498 1.873 1.195 113 HD2 PHE 13 HD2 PHE 13 -2.179 4.793 2.861 114 HE1 PHE 13 HE1 PHE 13 0.996 1.032 3.474 115 HE2 PHE 13 HE2 PHE 13 -1.681 3.950 5.137 116 HZ PHE 13 HZ PHE 13 -0.093 2.070 5.445 117 H ASN 14 HN ASN 14 -2.127 2.650 -2.877 118 HA ASN 14 HA ASN 14 -4.605 4.151 -2.769 119 HB2 ASN 14 HB2 ASN 14 -3.602 2.702 -5.200 120 HB3 ASN 14 HB1 ASN 14 -4.501 4.215 -5.101 121 HD21 ASN 14 HD21 ASN 14 -2.128 4.168 -6.608 122 HD22 ASN 14 HD22 ASN 14 -0.927 5.054 -5.798 123 H GLU 15 HN GLU 15 -6.194 2.989 -4.629 124 HA GLU 15 HA GLU 15 -7.003 0.475 -3.302 125 HB2 GLU 15 HB2 GLU 15 -8.865 1.945 -5.102 126 HB3 GLU 15 HB1 GLU 15 -9.198 1.065 -3.610 127 HG2 GLU 15 HG2 GLU 15 -9.480 3.299 -2.955 128 HG3 GLU 15 HG1 GLU 15 -7.821 2.958 -2.464 129 H ARG 16 HN ARG 16 -4.958 0.397 -5.232 130 HA ARG 16 HA ARG 16 -6.135 -0.401 -7.766 131 HB2 ARG 16 HB2 ARG 16 -3.716 0.655 -7.126 132 HB3 ARG 16 HB1 ARG 16 -3.308 -1.058 -7.208 133 HG2 ARG 16 HG2 ARG 16 -3.018 -0.334 -9.429 134 HG3 ARG 16 HG1 ARG 16 -4.631 -1.047 -9.444 135 HD2 ARG 16 HD2 ARG 16 -5.255 0.933 -10.366 136 HD3 ARG 16 HD1 ARG 16 -5.197 1.527 -8.710 137 HE ARG 16 HE ARG 16 -2.655 1.903 -9.495 138 HH11 ARG 16 HH11 ARG 16 -1.879 3.691 -10.660 139 HH12 ARG 16 HH12 ARG 16 -2.946 4.563 -11.710 140 HH21 ARG 16 HH21 ARG 16 -5.690 2.558 -11.026 141 HH22 ARG 16 HH22 ARG 16 -5.102 3.923 -11.917 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 -8.899 0.264 1.223 2 HA2 GLY 1 HA2 GLY 1 -8.555 -2.000 -0.124 3 HA3 GLY 1 HA1 GLY 1 -7.249 -1.037 -0.809 4 H SER 2 HN SER 2 -8.393 -2.734 2.004 5 HA SER 2 HA SER 2 -6.420 -1.866 3.850 6 HB2 SER 2 HB2 SER 2 -7.099 -4.469 4.572 7 HB3 SER 2 HB1 SER 2 -7.872 -2.991 5.137 8 HG SER 2 HG SER 2 -9.532 -3.420 3.917 9 H LYS 3 HN LYS 3 -5.850 -3.227 0.998 10 HA LYS 3 HA LYS 3 -3.957 -5.282 1.787 11 HB2 LYS 3 HB2 LYS 3 -4.631 -4.060 -0.898 12 HB3 LYS 3 HB1 LYS 3 -3.465 -5.364 -0.666 13 HG2 LYS 3 HG2 LYS 3 -5.139 -6.864 0.115 14 HG3 LYS 3 HG1 LYS 3 -6.309 -5.563 0.338 15 HD2 LYS 3 HD2 LYS 3 -5.249 -5.791 -2.406 16 HD3 LYS 3 HD1 LYS 3 -6.202 -7.176 -1.875 17 HE2 LYS 3 HE2 LYS 3 -7.166 -4.336 -1.507 18 HE3 LYS 3 HE1 LYS 3 -7.501 -5.257 -2.973 19 HZ1 LYS 3 HZ1 LYS 3 -8.859 -6.695 -1.878 20 HZ2 LYS 3 HZ2 LYS 3 -9.122 -5.308 -0.931 21 HZ3 LYS 3 HZ3 LYS 3 -8.059 -6.519 -0.392 22 H ARG 4 HN ARG 4 -3.634 -2.397 2.610 23 HA ARG 4 HA ARG 4 -1.710 -0.958 1.341 24 HB2 ARG 4 HB2 ARG 4 -2.197 -1.514 4.244 25 HB3 ARG 4 HB1 ARG 4 -0.781 -0.576 3.771 26 HG2 ARG 4 HG2 ARG 4 -2.133 1.077 2.679 27 HG3 ARG 4 HG1 ARG 4 -3.575 0.071 2.807 28 HD2 ARG 4 HD2 ARG 4 -2.174 0.728 5.347 29 HD3 ARG 4 HD1 ARG 4 -3.033 2.046 4.555 30 HE ARG 4 HE ARG 4 -4.567 -0.405 4.831 31 HH11 ARG 4 HH11 ARG 4 -6.392 -0.243 6.174 32 HH12 ARG 4 HH12 ARG 4 -6.581 1.134 7.207 33 HH21 ARG 4 HH21 ARG 4 -3.621 2.632 6.194 34 HH22 ARG 4 HH22 ARG 4 -5.012 2.762 7.219 35 H PHE 5 HN PHE 5 0.162 -1.520 0.435 36 HA PHE 5 HA PHE 5 1.853 -3.516 1.815 37 HB2 PHE 5 HB2 PHE 5 0.615 -3.740 -0.732 38 HB3 PHE 5 HB1 PHE 5 2.346 -3.546 -0.997 39 HD1 PHE 5 HD1 PHE 5 3.940 -5.018 0.417 40 HD2 PHE 5 HD2 PHE 5 -0.260 -5.806 -0.036 41 HE1 PHE 5 HE1 PHE 5 4.305 -7.370 1.116 42 HE2 PHE 5 HE2 PHE 5 0.106 -8.158 0.664 43 HZ PHE 5 HZ PHE 5 2.388 -8.939 1.240 44 H ARG 6 HN ARG 6 3.313 -2.126 2.703 45 HA ARG 6 HA ARG 6 4.464 0.052 1.174 46 HB2 ARG 6 HB2 ARG 6 4.240 -0.662 3.929 47 HB3 ARG 6 HB1 ARG 6 5.952 -0.483 3.545 48 HG2 ARG 6 HG2 ARG 6 5.489 1.728 2.536 49 HG3 ARG 6 HG1 ARG 6 3.783 1.554 2.949 50 HD2 ARG 6 HD2 ARG 6 4.844 1.083 5.372 51 HD3 ARG 6 HD1 ARG 6 6.117 2.106 4.716 52 HE ARG 6 HE ARG 6 3.880 3.521 4.143 53 HH11 ARG 6 HH11 ARG 6 2.893 4.990 5.568 54 HH12 ARG 6 HH12 ARG 6 3.084 4.789 7.277 55 HH21 ARG 6 HH21 ARG 6 5.061 1.955 6.993 56 HH22 ARG 6 HH22 ARG 6 4.310 3.071 8.085 57 H PHE 7 HN PHE 7 6.545 0.158 0.363 58 HA PHE 7 HA PHE 7 8.358 -2.103 0.711 59 HB2 PHE 7 HB2 PHE 7 6.738 -2.570 -1.235 60 HB3 PHE 7 HB1 PHE 7 7.620 -1.305 -2.090 61 HD1 PHE 7 HD1 PHE 7 9.675 -1.772 -3.135 62 HD2 PHE 7 HD2 PHE 7 8.119 -4.490 -0.196 63 HE1 PHE 7 HE1 PHE 7 11.484 -3.383 -3.667 64 HE2 PHE 7 HE2 PHE 7 9.928 -6.102 -0.728 65 HZ PHE 7 HZ PHE 7 11.611 -5.548 -2.464 66 HA DPR 8 HA DPR 8 11.269 1.190 0.203 67 HB2 DPR 8 HB1 DPR 8 10.861 3.145 2.050 68 HB3 DPR 8 HB2 DPR 8 11.454 1.526 2.465 69 HG2 DPR 8 HG1 DPR 8 8.736 2.696 2.748 70 HG3 DPR 8 HG2 DPR 8 9.602 1.575 3.810 71 HD2 DPR 8 HD1 DPR 8 7.627 0.860 1.987 72 HD3 DPR 8 HD2 DPR 8 8.835 -0.255 2.660 73 HA PRO 9 HA PRO 9 9.912 5.033 -1.758 74 HB2 PRO 9 HB2 PRO 9 10.783 4.561 -4.287 75 HB3 PRO 9 HB1 PRO 9 11.887 4.981 -2.962 76 HG2 PRO 9 HG2 PRO 9 11.299 2.325 -4.164 77 HG3 PRO 9 HG1 PRO 9 12.838 2.994 -3.595 78 HD2 PRO 9 HD2 PRO 9 11.307 1.214 -2.141 79 HD3 PRO 9 HD1 PRO 9 12.458 2.360 -1.418 80 H GLU 10 HN GLU 10 8.822 1.910 -2.395 81 HA GLU 10 HA GLU 10 6.596 2.917 -4.063 82 HB2 GLU 10 HB2 GLU 10 7.818 1.434 -5.441 83 HB3 GLU 10 HB1 GLU 10 8.080 0.295 -4.121 84 HG2 GLU 10 HG2 GLU 10 5.265 0.937 -4.898 85 HG3 GLU 10 HG1 GLU 10 6.201 -0.133 -5.936 86 H ILE 11 HN ILE 11 4.632 2.746 -3.172 87 HA ILE 11 HA ILE 11 4.149 0.655 -1.163 88 HB ILE 11 HB ILE 11 3.287 2.134 0.455 89 HG12 ILE 11 HG12 ILE 11 3.279 4.153 -1.798 90 HG13 ILE 11 HG11 ILE 11 1.914 3.597 -0.829 91 HG21 ILE 11 HG21 ILE 11 5.552 3.775 -0.680 92 HG22 ILE 11 HG22 ILE 11 5.837 2.184 0.026 93 HG23 ILE 11 HG23 ILE 11 5.156 3.475 1.013 94 HD11 ILE 11 HD11 ILE 11 4.154 5.445 -0.022 95 HD12 ILE 11 HD12 ILE 11 3.201 4.582 1.187 96 HD13 ILE 11 HD13 ILE 11 2.413 5.711 0.084 97 H ILE 12 HN ILE 12 2.095 -0.153 -1.156 98 HA ILE 12 HA ILE 12 0.328 0.813 -3.306 99 HB ILE 12 HB ILE 12 -0.033 -1.771 -1.813 100 HG12 ILE 12 HG12 ILE 12 1.831 -1.226 -4.145 101 HG13 ILE 12 HG11 ILE 12 2.302 -1.775 -2.536 102 HG21 ILE 12 HG21 ILE 12 -1.437 -2.309 -3.546 103 HG22 ILE 12 HG22 ILE 12 -0.468 -1.439 -4.736 104 HG23 ILE 12 HG23 ILE 12 -1.564 -0.554 -3.674 105 HD11 ILE 12 HD11 ILE 12 0.473 -3.676 -3.162 106 HD12 ILE 12 HD12 ILE 12 2.193 -3.840 -3.513 107 HD13 ILE 12 HD13 ILE 12 1.083 -3.297 -4.772 108 H PHE 13 HN PHE 13 0.006 2.587 -1.537 109 HA PHE 13 HA PHE 13 -2.036 1.761 0.415 110 HB2 PHE 13 HB2 PHE 13 -0.144 4.061 0.193 111 HB3 PHE 13 HB1 PHE 13 -1.666 4.311 1.046 112 HD1 PHE 13 HD1 PHE 13 0.744 1.434 0.788 113 HD2 PHE 13 HD2 PHE 13 -1.383 4.146 3.357 114 HE1 PHE 13 HE1 PHE 13 1.669 0.279 2.777 115 HE2 PHE 13 HE2 PHE 13 -0.458 2.989 5.343 116 HZ PHE 13 HZ PHE 13 1.068 1.056 5.054 117 H ASN 14 HN ASN 14 -3.924 3.200 0.681 118 HA ASN 14 HA ASN 14 -4.726 5.079 -1.257 119 HB2 ASN 14 HB2 ASN 14 -4.855 3.377 -2.893 120 HB3 ASN 14 HB1 ASN 14 -5.558 2.226 -1.758 121 HD21 ASN 14 HD21 ASN 14 -6.332 5.512 -3.060 122 HD22 ASN 14 HD22 ASN 14 -7.994 5.206 -3.221 123 H GLU 15 HN GLU 15 -7.068 5.606 -1.075 124 HA GLU 15 HA GLU 15 -7.878 5.473 1.693 125 HB2 GLU 15 HB2 GLU 15 -9.441 6.608 -0.631 126 HB3 GLU 15 HB1 GLU 15 -9.607 7.011 1.079 127 HG2 GLU 15 HG2 GLU 15 -8.185 8.717 0.645 128 HG3 GLU 15 HG1 GLU 15 -6.927 7.482 0.608 129 H ARG 16 HN ARG 16 -8.029 3.225 -0.593 130 HA ARG 16 HA ARG 16 -10.291 1.898 0.628 131 HB2 ARG 16 HB2 ARG 16 -11.082 3.430 -1.368 132 HB3 ARG 16 HB1 ARG 16 -10.426 2.132 -2.358 133 HG2 ARG 16 HG2 ARG 16 -12.497 1.217 -2.097 134 HG3 ARG 16 HG1 ARG 16 -11.857 0.680 -0.547 135 HD2 ARG 16 HD2 ARG 16 -13.367 3.275 -0.994 136 HD3 ARG 16 HD1 ARG 16 -14.068 1.805 -0.331 137 HE ARG 16 HE ARG 16 -12.468 3.698 1.100 138 HH11 ARG 16 HH11 ARG 16 -11.941 3.174 3.245 139 HH12 ARG 16 HH12 ARG 16 -12.079 1.536 3.792 140 HH21 ARG 16 HH21 ARG 16 -13.185 0.331 0.734 141 HH22 ARG 16 HH22 ARG 16 -12.783 -0.074 2.370 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -8.627 -0.576 -0.515 2 HA2 GLY 1 HA2 GLY 1 -10.030 -2.357 0.272 3 HA3 GLY 1 HA1 GLY 1 -10.175 -2.929 -1.387 4 H SER 2 HN SER 2 -7.103 -2.251 -1.450 5 HA SER 2 HA SER 2 -6.293 -4.960 -0.705 6 HB2 SER 2 HB2 SER 2 -5.698 -3.579 -2.902 7 HB3 SER 2 HB1 SER 2 -4.381 -3.002 -1.887 8 HG SER 2 HG SER 2 -4.915 -5.730 -1.840 9 H LYS 3 HN LYS 3 -6.622 -2.223 0.954 10 HA LYS 3 HA LYS 3 -5.675 -1.326 2.847 11 HB2 LYS 3 HB2 LYS 3 -4.448 -4.090 3.021 12 HB3 LYS 3 HB1 LYS 3 -4.520 -2.916 4.336 13 HG2 LYS 3 HG2 LYS 3 -7.080 -3.585 2.954 14 HG3 LYS 3 HG1 LYS 3 -6.398 -4.799 4.036 15 HD2 LYS 3 HD2 LYS 3 -6.464 -3.332 5.902 16 HD3 LYS 3 HD1 LYS 3 -6.707 -1.916 4.880 17 HE2 LYS 3 HE2 LYS 3 -8.769 -3.982 4.528 18 HE3 LYS 3 HE1 LYS 3 -8.720 -3.302 6.154 19 HZ1 LYS 3 HZ1 LYS 3 -8.991 -1.815 3.602 20 HZ2 LYS 3 HZ2 LYS 3 -8.736 -1.072 5.108 21 HZ3 LYS 3 HZ3 LYS 3 -10.154 -1.965 4.828 22 H ARG 4 HN ARG 4 -3.611 -0.666 3.867 23 HA ARG 4 HA ARG 4 -1.791 0.357 2.019 24 HB2 ARG 4 HB2 ARG 4 -1.387 -0.236 4.960 25 HB3 ARG 4 HB1 ARG 4 -0.324 0.773 3.980 26 HG2 ARG 4 HG2 ARG 4 -1.700 2.541 4.202 27 HG3 ARG 4 HG1 ARG 4 -3.076 1.594 3.633 28 HD2 ARG 4 HD2 ARG 4 -2.004 1.454 6.462 29 HD3 ARG 4 HD1 ARG 4 -3.334 2.501 5.976 30 HE ARG 4 HE ARG 4 -3.691 -0.292 5.275 31 HH11 ARG 4 HH11 ARG 4 -5.419 -1.329 6.321 32 HH12 ARG 4 HH12 ARG 4 -6.169 -0.581 7.691 33 HH21 ARG 4 HH21 ARG 4 -4.111 2.209 7.628 34 HH22 ARG 4 HH22 ARG 4 -5.429 1.423 8.432 35 H PHE 5 HN PHE 5 -0.242 -0.560 0.845 36 HA PHE 5 HA PHE 5 1.006 -3.044 1.848 37 HB2 PHE 5 HB2 PHE 5 -0.653 -2.741 -0.434 38 HB3 PHE 5 HB1 PHE 5 0.991 -3.010 -1.007 39 HD1 PHE 5 HD1 PHE 5 2.021 -5.147 -0.833 40 HD2 PHE 5 HD2 PHE 5 -1.640 -4.346 1.269 41 HE1 PHE 5 HE1 PHE 5 1.825 -7.552 -0.257 42 HE2 PHE 5 HE2 PHE 5 -1.835 -6.750 1.845 43 HZ PHE 5 HZ PHE 5 -0.102 -8.352 1.082 44 H ARG 6 HN ARG 6 2.949 -2.215 2.469 45 HA ARG 6 HA ARG 6 4.420 -0.175 1.285 46 HB2 ARG 6 HB2 ARG 6 4.832 -2.243 3.259 47 HB3 ARG 6 HB1 ARG 6 6.270 -2.058 2.263 48 HG2 ARG 6 HG2 ARG 6 6.405 0.299 2.761 49 HG3 ARG 6 HG1 ARG 6 4.825 0.274 3.544 50 HD2 ARG 6 HD2 ARG 6 5.689 -1.209 5.293 51 HD3 ARG 6 HD1 ARG 6 7.259 -1.258 4.497 52 HE ARG 6 HE ARG 6 6.549 1.435 5.018 53 HH11 ARG 6 HH11 ARG 6 7.544 2.487 6.767 54 HH12 ARG 6 HH12 ARG 6 8.284 1.552 8.025 55 HH21 ARG 6 HH21 ARG 6 7.494 -1.502 6.584 56 HH22 ARG 6 HH22 ARG 6 8.256 -0.705 7.921 57 H PHE 7 HN PHE 7 6.425 -0.349 -0.015 58 HA PHE 7 HA PHE 7 6.963 -2.718 -1.541 59 HB2 PHE 7 HB2 PHE 7 4.830 -1.900 -2.578 60 HB3 PHE 7 HB1 PHE 7 5.689 -0.433 -3.047 61 HD1 PHE 7 HD1 PHE 7 6.961 -0.383 -5.025 62 HD2 PHE 7 HD2 PHE 7 5.860 -4.163 -3.309 63 HE1 PHE 7 HE1 PHE 7 7.874 -1.549 -7.012 64 HE2 PHE 7 HE2 PHE 7 6.775 -5.330 -5.298 65 HZ PHE 7 HZ PHE 7 7.782 -4.024 -7.148 66 HA DPR 8 HA DPR 8 10.719 -0.482 -2.172 67 HB2 DPR 8 HB1 DPR 8 11.780 0.258 0.244 68 HB3 DPR 8 HB2 DPR 8 11.776 -1.411 -0.356 69 HG2 DPR 8 HG1 DPR 8 9.975 -0.086 1.613 70 HG3 DPR 8 HG2 DPR 8 10.661 -1.719 1.630 71 HD2 DPR 8 HD1 DPR 8 8.081 -1.148 0.874 72 HD3 DPR 8 HD2 DPR 8 8.990 -2.554 0.275 73 HA PRO 9 HA PRO 9 11.095 4.034 -1.151 74 HB2 PRO 9 HB2 PRO 9 11.192 4.063 -4.134 75 HB3 PRO 9 HB1 PRO 9 12.217 4.915 -2.965 76 HG2 PRO 9 HG2 PRO 9 13.087 2.766 -4.281 77 HG3 PRO 9 HG1 PRO 9 13.557 3.092 -2.604 78 HD2 PRO 9 HD2 PRO 9 11.656 1.054 -3.661 79 HD3 PRO 9 HD1 PRO 9 12.674 1.000 -2.205 80 H GLU 10 HN GLU 10 8.807 2.126 -2.678 81 HA GLU 10 HA GLU 10 6.895 4.379 -2.842 82 HB2 GLU 10 HB2 GLU 10 6.680 1.880 -4.512 83 HB3 GLU 10 HB1 GLU 10 5.863 3.426 -4.740 84 HG2 GLU 10 HG2 GLU 10 7.514 3.791 -6.266 85 HG3 GLU 10 HG1 GLU 10 8.464 4.220 -4.844 86 H ILE 11 HN ILE 11 4.741 3.907 -2.186 87 HA ILE 11 HA ILE 11 4.285 1.313 -0.901 88 HB ILE 11 HB ILE 11 3.505 2.403 1.180 89 HG12 ILE 11 HG12 ILE 11 4.718 4.897 -0.058 90 HG13 ILE 11 HG11 ILE 11 2.992 4.623 0.184 91 HG21 ILE 11 HG21 ILE 11 6.333 3.274 0.560 92 HG22 ILE 11 HG22 ILE 11 5.898 1.579 0.787 93 HG23 ILE 11 HG23 ILE 11 5.677 2.731 2.104 94 HD11 ILE 11 HD11 ILE 11 3.791 5.951 2.038 95 HD12 ILE 11 HD12 ILE 11 5.124 4.834 2.326 96 HD13 ILE 11 HD13 ILE 11 3.465 4.326 2.643 97 H ILE 12 HN ILE 12 2.119 0.763 -0.647 98 HA ILE 12 HA ILE 12 0.289 2.309 -2.334 99 HB ILE 12 HB ILE 12 0.004 -0.438 -1.090 100 HG12 ILE 12 HG12 ILE 12 0.462 0.362 -3.981 101 HG13 ILE 12 HG11 ILE 12 1.752 -0.159 -2.897 102 HG21 ILE 12 HG21 ILE 12 -2.192 -0.127 -1.532 103 HG22 ILE 12 HG22 ILE 12 -1.751 -0.168 -3.239 104 HG23 ILE 12 HG23 ILE 12 -1.875 1.377 -2.399 105 HD11 ILE 12 HD11 ILE 12 1.225 -2.319 -3.236 106 HD12 ILE 12 HD12 ILE 12 0.040 -1.803 -4.435 107 HD13 ILE 12 HD13 ILE 12 -0.445 -2.023 -2.755 108 H PHE 13 HN PHE 13 0.794 3.704 -0.106 109 HA PHE 13 HA PHE 13 -1.082 3.095 2.007 110 HB2 PHE 13 HB2 PHE 13 0.990 5.156 1.482 111 HB3 PHE 13 HB1 PHE 13 -0.338 5.621 2.545 112 HD1 PHE 13 HD1 PHE 13 0.499 5.554 4.732 113 HD2 PHE 13 HD2 PHE 13 1.334 2.295 2.055 114 HE1 PHE 13 HE1 PHE 13 1.536 4.288 6.594 115 HE2 PHE 13 HE2 PHE 13 2.371 1.033 3.919 116 HZ PHE 13 HZ PHE 13 2.472 2.029 6.188 117 H ASN 14 HN ASN 14 -2.944 2.996 0.493 118 HA ASN 14 HA ASN 14 -4.236 5.625 0.367 119 HB2 ASN 14 HB2 ASN 14 -4.526 3.842 -2.016 120 HB3 ASN 14 HB1 ASN 14 -4.692 5.594 -1.898 121 HD21 ASN 14 HD21 ASN 14 -2.724 6.892 -1.964 122 HD22 ASN 14 HD22 ASN 14 -1.240 6.222 -2.446 123 H GLU 15 HN GLU 15 -6.331 4.336 -1.362 124 HA GLU 15 HA GLU 15 -7.467 2.349 0.474 125 HB2 GLU 15 HB2 GLU 15 -9.233 4.595 -0.425 126 HB3 GLU 15 HB1 GLU 15 -9.389 3.541 0.981 127 HG2 GLU 15 HG2 GLU 15 -7.347 4.634 1.949 128 HG3 GLU 15 HG1 GLU 15 -7.371 5.769 0.600 129 H ARG 16 HN ARG 16 -7.665 0.694 -0.921 130 HA ARG 16 HA ARG 16 -9.409 1.079 -3.247 131 HB2 ARG 16 HB2 ARG 16 -7.919 0.086 -4.802 132 HB3 ARG 16 HB1 ARG 16 -6.951 1.279 -3.935 133 HG2 ARG 16 HG2 ARG 16 -6.490 -0.781 -2.318 134 HG3 ARG 16 HG1 ARG 16 -6.875 -1.707 -3.769 135 HD2 ARG 16 HD2 ARG 16 -4.780 0.476 -3.575 136 HD3 ARG 16 HD1 ARG 16 -4.456 -1.254 -3.629 137 HE ARG 16 HE ARG 16 -5.246 0.432 -5.868 138 HH11 ARG 16 HH11 ARG 16 -5.194 -0.601 -7.891 139 HH12 ARG 16 HH12 ARG 16 -5.054 -2.325 -7.974 140 HH21 ARG 16 HH21 ARG 16 -4.962 -2.748 -4.533 141 HH22 ARG 16 HH22 ARG 16 -4.923 -3.541 -6.073 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -9.081 -0.445 -0.043 2 HA2 GLY 1 HA2 GLY 1 -8.029 -1.540 -2.371 3 HA3 GLY 1 HA1 GLY 1 -6.893 -0.297 -1.853 4 H SER 2 HN SER 2 -8.309 -3.395 -1.093 5 HA SER 2 HA SER 2 -7.209 -3.787 1.471 6 HB2 SER 2 HB2 SER 2 -7.283 -6.305 0.370 7 HB3 SER 2 HB1 SER 2 -8.638 -5.500 1.157 8 HG SER 2 HG SER 2 -9.511 -5.775 -0.751 9 H LYS 3 HN LYS 3 -5.541 -3.110 -1.229 10 HA LYS 3 HA LYS 3 -3.437 -5.066 -1.105 11 HB2 LYS 3 HB2 LYS 3 -3.493 -2.327 -2.396 12 HB3 LYS 3 HB1 LYS 3 -2.264 -3.565 -2.662 13 HG2 LYS 3 HG2 LYS 3 -3.566 -4.348 -4.330 14 HG3 LYS 3 HG1 LYS 3 -4.689 -4.893 -3.084 15 HD2 LYS 3 HD2 LYS 3 -5.805 -2.674 -3.147 16 HD3 LYS 3 HD1 LYS 3 -4.718 -2.185 -4.448 17 HE2 LYS 3 HE2 LYS 3 -5.562 -3.999 -5.868 18 HE3 LYS 3 HE1 LYS 3 -6.615 -4.548 -4.563 19 HZ1 LYS 3 HZ1 LYS 3 -7.714 -3.111 -6.248 20 HZ2 LYS 3 HZ2 LYS 3 -6.730 -1.825 -5.732 21 HZ3 LYS 3 HZ3 LYS 3 -7.839 -2.534 -4.658 22 H ARG 4 HN ARG 4 -3.294 -1.542 -0.549 23 HA ARG 4 HA ARG 4 -1.854 -0.306 0.765 24 HB2 ARG 4 HB2 ARG 4 -3.589 -1.137 2.374 25 HB3 ARG 4 HB1 ARG 4 -2.499 -2.462 2.786 26 HG2 ARG 4 HG2 ARG 4 -0.936 -0.121 2.920 27 HG3 ARG 4 HG1 ARG 4 -2.459 0.276 3.714 28 HD2 ARG 4 HD2 ARG 4 -0.644 -2.065 4.345 29 HD3 ARG 4 HD1 ARG 4 -0.948 -0.663 5.366 30 HE ARG 4 HE ARG 4 -3.433 -1.673 5.043 31 HH11 ARG 4 HH11 ARG 4 -4.336 -3.321 6.319 32 HH12 ARG 4 HH12 ARG 4 -3.304 -4.481 7.084 33 HH21 ARG 4 HH21 ARG 4 -0.380 -3.094 5.840 34 HH22 ARG 4 HH22 ARG 4 -1.063 -4.353 6.814 35 H PHE 5 HN PHE 5 0.152 -0.494 -0.138 36 HA PHE 5 HA PHE 5 1.903 -2.623 0.943 37 HB2 PHE 5 HB2 PHE 5 1.322 -1.983 -1.746 38 HB3 PHE 5 HB1 PHE 5 2.963 -1.413 -1.440 39 HD1 PHE 5 HD1 PHE 5 4.663 -3.005 -0.459 40 HD2 PHE 5 HD2 PHE 5 0.827 -4.307 -1.885 41 HE1 PHE 5 HE1 PHE 5 5.493 -5.340 -0.558 42 HE2 PHE 5 HE2 PHE 5 1.656 -6.643 -1.984 43 HZ PHE 5 HZ PHE 5 3.989 -7.159 -1.320 44 H ARG 6 HN ARG 6 3.518 -1.933 2.188 45 HA ARG 6 HA ARG 6 4.550 0.807 1.806 46 HB2 ARG 6 HB2 ARG 6 2.996 0.828 3.717 47 HB3 ARG 6 HB1 ARG 6 3.908 -0.481 4.471 48 HG2 ARG 6 HG2 ARG 6 5.792 0.880 4.846 49 HG3 ARG 6 HG1 ARG 6 5.284 2.070 3.646 50 HD2 ARG 6 HD2 ARG 6 4.931 2.413 6.309 51 HD3 ARG 6 HD1 ARG 6 3.872 3.128 5.096 52 HE ARG 6 HE ARG 6 2.206 1.620 5.721 53 HH11 ARG 6 HH11 ARG 6 1.355 0.025 7.096 54 HH12 ARG 6 HH12 ARG 6 2.414 -0.874 8.132 55 HH21 ARG 6 HH21 ARG 6 5.279 0.761 7.062 56 HH22 ARG 6 HH22 ARG 6 4.635 -0.456 8.112 57 H PHE 7 HN PHE 7 6.471 0.204 0.898 58 HA PHE 7 HA PHE 7 8.470 -0.894 2.670 59 HB2 PHE 7 HB2 PHE 7 7.160 -2.859 1.555 60 HB3 PHE 7 HB1 PHE 7 8.108 -2.440 0.131 61 HD1 PHE 7 HD1 PHE 7 8.491 -3.105 3.798 62 HD2 PHE 7 HD2 PHE 7 10.287 -3.277 -0.101 63 HE1 PHE 7 HE1 PHE 7 10.448 -4.292 4.752 64 HE2 PHE 7 HE2 PHE 7 12.244 -4.464 0.854 65 HZ PHE 7 HZ PHE 7 12.325 -4.972 3.280 66 HA DPR 8 HA DPR 8 11.052 1.558 0.070 67 HB2 DPR 8 HB1 DPR 8 10.184 4.153 0.126 68 HB3 DPR 8 HB2 DPR 8 11.004 3.361 1.486 69 HG2 DPR 8 HG1 DPR 8 8.097 3.854 1.035 70 HG3 DPR 8 HG2 DPR 8 9.049 4.004 2.522 71 HD2 DPR 8 HD1 DPR 8 7.445 1.853 1.960 72 HD3 DPR 8 HD2 DPR 8 8.900 1.744 2.979 73 HA PRO 9 HA PRO 9 9.719 3.242 -3.985 74 HB2 PRO 9 HB2 PRO 9 10.718 0.546 -4.807 75 HB3 PRO 9 HB1 PRO 9 11.036 2.134 -5.531 76 HG2 PRO 9 HG2 PRO 9 12.844 0.909 -4.008 77 HG3 PRO 9 HG1 PRO 9 12.644 2.668 -3.990 78 HD2 PRO 9 HD2 PRO 9 11.868 0.670 -1.929 79 HD3 PRO 9 HD1 PRO 9 12.283 2.388 -1.738 80 H GLU 10 HN GLU 10 8.624 0.563 -2.238 81 HA GLU 10 HA GLU 10 6.444 0.039 -4.168 82 HB2 GLU 10 HB2 GLU 10 8.000 -1.845 -3.252 83 HB3 GLU 10 HB1 GLU 10 7.024 -1.698 -1.792 84 HG2 GLU 10 HG2 GLU 10 4.971 -1.963 -3.233 85 HG3 GLU 10 HG1 GLU 10 6.041 -2.331 -4.584 86 H ILE 11 HN ILE 11 5.834 2.280 -3.132 87 HA ILE 11 HA ILE 11 4.313 1.852 -0.643 88 HB ILE 11 HB ILE 11 5.975 3.772 -0.853 89 HG12 ILE 11 HG12 ILE 11 4.055 5.444 -0.048 90 HG13 ILE 11 HG11 ILE 11 3.096 3.965 -0.057 91 HG21 ILE 11 HG21 ILE 11 5.071 4.241 -3.258 92 HG22 ILE 11 HG22 ILE 11 5.476 5.612 -2.223 93 HG23 ILE 11 HG23 ILE 11 3.792 5.127 -2.426 94 HD11 ILE 11 HD11 ILE 11 3.961 3.878 2.092 95 HD12 ILE 11 HD12 ILE 11 5.464 4.677 1.631 96 HD13 ILE 11 HD13 ILE 11 5.203 2.983 1.218 97 H ILE 12 HN ILE 12 2.183 1.590 -0.754 98 HA ILE 12 HA ILE 12 0.651 2.917 -2.868 99 HB ILE 12 HB ILE 12 0.193 -0.011 -2.335 100 HG12 ILE 12 HG12 ILE 12 2.007 1.256 -4.414 101 HG13 ILE 12 HG11 ILE 12 2.498 0.160 -3.121 102 HG21 ILE 12 HG21 ILE 12 -1.464 1.639 -3.494 103 HG22 ILE 12 HG22 ILE 12 -1.143 0.086 -4.265 104 HG23 ILE 12 HG23 ILE 12 -0.348 1.545 -4.856 105 HD11 ILE 12 HD11 ILE 12 2.301 -1.353 -4.860 106 HD12 ILE 12 HD12 ILE 12 1.022 -0.434 -5.653 107 HD13 ILE 12 HD13 ILE 12 0.655 -1.407 -4.229 108 H PHE 13 HN PHE 13 0.545 3.871 -0.431 109 HA PHE 13 HA PHE 13 -1.485 2.539 1.172 110 HB2 PHE 13 HB2 PHE 13 0.572 4.437 1.654 111 HB3 PHE 13 HB1 PHE 13 -0.962 5.207 2.060 112 HD1 PHE 13 HD1 PHE 13 0.955 2.027 2.558 113 HD2 PHE 13 HD2 PHE 13 -2.025 4.713 4.094 114 HE1 PHE 13 HE1 PHE 13 0.845 0.708 4.655 115 HE2 PHE 13 HE2 PHE 13 -2.133 3.394 6.191 116 HZ PHE 13 HZ PHE 13 -0.698 1.392 6.471 117 H ASN 14 HN ASN 14 -3.604 2.996 1.182 118 HA ASN 14 HA ASN 14 -4.717 5.517 0.495 119 HB2 ASN 14 HB2 ASN 14 -5.649 5.112 -1.634 120 HB3 ASN 14 HB1 ASN 14 -3.979 4.564 -1.771 121 HD21 ASN 14 HD21 ASN 14 -6.029 3.531 -3.492 122 HD22 ASN 14 HD22 ASN 14 -6.263 1.892 -3.113 123 H GLU 15 HN GLU 15 -7.207 5.173 0.029 124 HA GLU 15 HA GLU 15 -8.210 3.659 2.263 125 HB2 GLU 15 HB2 GLU 15 -9.773 5.100 0.112 126 HB3 GLU 15 HB1 GLU 15 -10.357 4.615 1.707 127 HG2 GLU 15 HG2 GLU 15 -8.048 6.085 2.245 128 HG3 GLU 15 HG1 GLU 15 -8.830 6.976 0.940 129 H ARG 16 HN ARG 16 -10.470 3.499 -0.190 130 HA ARG 16 HA ARG 16 -10.922 0.821 -0.176 131 HB2 ARG 16 HB2 ARG 16 -11.817 1.080 -2.504 132 HB3 ARG 16 HB1 ARG 16 -12.399 2.307 -1.377 133 HG2 ARG 16 HG2 ARG 16 -9.957 3.261 -2.498 134 HG3 ARG 16 HG1 ARG 16 -10.967 2.691 -3.826 135 HD2 ARG 16 HD2 ARG 16 -11.384 5.087 -3.244 136 HD3 ARG 16 HD1 ARG 16 -12.817 4.077 -3.084 137 HE ARG 16 HE ARG 16 -11.286 4.382 -0.637 138 HH11 ARG 16 HH11 ARG 16 -12.360 5.485 1.033 139 HH12 ARG 16 HH12 ARG 16 -13.804 6.375 0.688 140 HH21 ARG 16 HH21 ARG 16 -13.795 5.594 -2.690 141 HH22 ARG 16 HH22 ARG 16 -14.617 6.438 -1.420 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -8.654 -0.663 1.703 2 HA2 GLY 1 HA2 GLY 1 -10.175 -2.784 2.610 3 HA3 GLY 1 HA1 GLY 1 -9.516 -3.312 1.064 4 H SER 2 HN SER 2 -7.883 -1.114 3.267 5 HA SER 2 HA SER 2 -5.794 -1.240 4.232 6 HB2 SER 2 HB2 SER 2 -5.519 -3.023 5.791 7 HB3 SER 2 HB1 SER 2 -7.249 -2.696 5.723 8 HG SER 2 HG SER 2 -5.950 -4.960 5.180 9 H LYS 3 HN LYS 3 -5.380 -1.395 1.659 10 HA LYS 3 HA LYS 3 -3.881 -3.850 1.060 11 HB2 LYS 3 HB2 LYS 3 -4.756 -1.528 -0.669 12 HB3 LYS 3 HB1 LYS 3 -3.743 -2.853 -1.246 13 HG2 LYS 3 HG2 LYS 3 -6.229 -3.625 0.191 14 HG3 LYS 3 HG1 LYS 3 -6.439 -2.906 -1.406 15 HD2 LYS 3 HD2 LYS 3 -4.409 -5.088 -0.995 16 HD3 LYS 3 HD1 LYS 3 -6.111 -5.495 -1.219 17 HE2 LYS 3 HE2 LYS 3 -6.123 -4.832 -3.411 18 HE3 LYS 3 HE1 LYS 3 -4.974 -3.523 -3.129 19 HZ1 LYS 3 HZ1 LYS 3 -3.204 -5.150 -2.962 20 HZ2 LYS 3 HZ2 LYS 3 -4.002 -5.295 -4.455 21 HZ3 LYS 3 HZ3 LYS 3 -4.305 -6.415 -3.214 22 H ARG 4 HN ARG 4 -2.836 -2.021 3.022 23 HA ARG 4 HA ARG 4 -1.008 -0.145 2.263 24 HB2 ARG 4 HB2 ARG 4 -1.458 -1.088 4.611 25 HB3 ARG 4 HB1 ARG 4 -0.247 -2.309 4.220 26 HG2 ARG 4 HG2 ARG 4 1.141 -0.159 3.463 27 HG3 ARG 4 HG1 ARG 4 0.094 0.630 4.640 28 HD2 ARG 4 HD2 ARG 4 1.828 -1.798 5.175 29 HD3 ARG 4 HD1 ARG 4 2.177 -0.154 5.699 30 HE ARG 4 HE ARG 4 0.288 -1.977 6.902 31 HH11 ARG 4 HH11 ARG 4 -0.795 -1.193 8.740 32 HH12 ARG 4 HH12 ARG 4 -0.777 0.503 9.092 33 HH21 ARG 4 HH21 ARG 4 1.148 1.325 6.327 34 HH22 ARG 4 HH22 ARG 4 0.324 1.927 7.726 35 H PHE 5 HN PHE 5 -0.143 -0.484 0.247 36 HA PHE 5 HA PHE 5 1.409 -2.876 -0.294 37 HB2 PHE 5 HB2 PHE 5 -0.011 -1.153 -1.881 38 HB3 PHE 5 HB1 PHE 5 1.646 -0.621 -2.164 39 HD1 PHE 5 HD1 PHE 5 -0.777 -3.332 -2.582 40 HD2 PHE 5 HD2 PHE 5 3.341 -2.198 -3.051 41 HE1 PHE 5 HE1 PHE 5 -0.402 -5.297 -4.049 42 HE2 PHE 5 HE2 PHE 5 3.715 -4.163 -4.517 43 HZ PHE 5 HZ PHE 5 1.844 -5.712 -5.016 44 H ARG 6 HN ARG 6 2.305 -1.301 1.926 45 HA ARG 6 HA ARG 6 4.414 0.449 1.365 46 HB2 ARG 6 HB2 ARG 6 3.357 -0.874 3.645 47 HB3 ARG 6 HB1 ARG 6 5.091 -1.189 3.616 48 HG2 ARG 6 HG2 ARG 6 5.488 1.256 3.300 49 HG3 ARG 6 HG1 ARG 6 3.754 1.528 3.467 50 HD2 ARG 6 HD2 ARG 6 3.923 1.481 5.708 51 HD3 ARG 6 HD1 ARG 6 4.647 -0.121 5.642 52 HE ARG 6 HE ARG 6 6.438 2.127 5.097 53 HH11 ARG 6 HH11 ARG 6 8.187 2.290 6.529 54 HH12 ARG 6 HH12 ARG 6 8.203 1.347 7.982 55 HH21 ARG 6 HH21 ARG 6 5.147 -0.163 7.356 56 HH22 ARG 6 HH22 ARG 6 6.485 -0.041 8.448 57 H PHE 7 HN PHE 7 6.427 0.175 0.581 58 HA PHE 7 HA PHE 7 7.807 -2.370 0.777 59 HB2 PHE 7 HB2 PHE 7 6.264 -2.574 -1.218 60 HB3 PHE 7 HB1 PHE 7 7.206 -1.291 -1.976 61 HD1 PHE 7 HD1 PHE 7 9.215 -1.789 -3.097 62 HD2 PHE 7 HD2 PHE 7 7.552 -4.640 -0.346 63 HE1 PHE 7 HE1 PHE 7 10.923 -3.451 -3.786 64 HE2 PHE 7 HE2 PHE 7 9.260 -6.301 -1.035 65 HZ PHE 7 HZ PHE 7 10.945 -5.706 -2.756 66 HA DPR 8 HA DPR 8 11.133 0.607 1.024 67 HB2 DPR 8 HB1 DPR 8 9.580 3.043 1.733 68 HB3 DPR 8 HB2 DPR 8 10.976 2.314 2.549 69 HG2 DPR 8 HG1 DPR 8 8.507 2.114 3.537 70 HG3 DPR 8 HG2 DPR 8 9.675 0.788 3.674 71 HD2 DPR 8 HD1 DPR 8 7.323 1.084 1.833 72 HD3 DPR 8 HD2 DPR 8 7.952 -0.373 2.633 73 HA PRO 9 HA PRO 9 11.772 3.390 -2.471 74 HB2 PRO 9 HB2 PRO 9 11.651 0.881 -4.081 75 HB3 PRO 9 HB1 PRO 9 12.865 2.172 -4.098 76 HG2 PRO 9 HG2 PRO 9 13.272 -0.202 -2.898 77 HG3 PRO 9 HG1 PRO 9 14.010 1.307 -2.339 78 HD2 PRO 9 HD2 PRO 9 11.883 -0.296 -1.074 79 HD3 PRO 9 HD1 PRO 9 12.941 0.942 -0.364 80 H GLU 10 HN GLU 10 9.166 1.259 -2.046 81 HA GLU 10 HA GLU 10 7.479 2.887 -3.801 82 HB2 GLU 10 HB2 GLU 10 7.592 -0.135 -3.972 83 HB3 GLU 10 HB1 GLU 10 6.449 0.903 -4.827 84 HG2 GLU 10 HG2 GLU 10 8.532 2.099 -5.773 85 HG3 GLU 10 HG1 GLU 10 9.436 0.696 -5.206 86 H ILE 11 HN ILE 11 5.384 3.076 -3.092 87 HA ILE 11 HA ILE 11 4.344 1.340 -1.016 88 HB ILE 11 HB ILE 11 5.602 2.803 0.396 89 HG12 ILE 11 HG12 ILE 11 2.821 4.003 0.330 90 HG13 ILE 11 HG11 ILE 11 3.146 2.388 0.962 91 HG21 ILE 11 HG21 ILE 11 6.234 4.795 -0.439 92 HG22 ILE 11 HG22 ILE 11 4.606 5.386 -0.101 93 HG23 ILE 11 HG23 ILE 11 4.992 4.722 -1.689 94 HD11 ILE 11 HD11 ILE 11 4.348 4.989 1.946 95 HD12 ILE 11 HD12 ILE 11 4.817 3.392 2.526 96 HD13 ILE 11 HD13 ILE 11 3.179 3.984 2.803 97 H ILE 12 HN ILE 12 2.158 1.218 -1.139 98 HA ILE 12 HA ILE 12 0.685 3.433 -2.385 99 HB ILE 12 HB ILE 12 0.080 0.660 -3.341 100 HG12 ILE 12 HG12 ILE 12 2.238 2.502 -4.417 101 HG13 ILE 12 HG11 ILE 12 2.471 0.878 -3.767 102 HG21 ILE 12 HG21 ILE 12 -1.314 2.811 -3.732 103 HG22 ILE 12 HG22 ILE 12 -0.952 1.799 -5.131 104 HG23 ILE 12 HG23 ILE 12 -0.025 3.272 -4.844 105 HD11 ILE 12 HD11 ILE 12 0.550 0.456 -5.694 106 HD12 ILE 12 HD12 ILE 12 2.279 0.192 -5.921 107 HD13 ILE 12 HD13 ILE 12 1.545 1.712 -6.432 108 H PHE 13 HN PHE 13 -1.110 3.845 -1.290 109 HA PHE 13 HA PHE 13 -2.219 1.729 0.458 110 HB2 PHE 13 HB2 PHE 13 -1.098 3.884 1.448 111 HB3 PHE 13 HB1 PHE 13 -2.622 4.648 0.994 112 HD1 PHE 13 HD1 PHE 13 -4.688 4.106 2.115 113 HD2 PHE 13 HD2 PHE 13 -1.051 2.032 3.094 114 HE1 PHE 13 HE1 PHE 13 -5.773 3.161 4.135 115 HE2 PHE 13 HE2 PHE 13 -2.144 1.090 5.117 116 HZ PHE 13 HZ PHE 13 -4.500 1.653 5.634 117 H ASN 14 HN ASN 14 -2.788 3.102 -2.380 118 HA ASN 14 HA ASN 14 -5.340 4.213 -2.333 119 HB2 ASN 14 HB2 ASN 14 -5.518 3.327 -4.691 120 HB3 ASN 14 HB1 ASN 14 -4.069 4.276 -4.363 121 HD21 ASN 14 HD21 ASN 14 -3.673 1.380 -2.736 122 HD22 ASN 14 HD22 ASN 14 -2.813 0.522 -3.923 123 H GLU 15 HN GLU 15 -7.191 2.917 -3.629 124 HA GLU 15 HA GLU 15 -8.875 1.370 -3.438 125 HB2 GLU 15 HB2 GLU 15 -6.407 -0.118 -3.527 126 HB3 GLU 15 HB1 GLU 15 -7.563 -0.937 -2.475 127 HG2 GLU 15 HG2 GLU 15 -7.844 -1.685 -4.798 128 HG3 GLU 15 HG1 GLU 15 -9.271 -0.803 -4.260 129 H ARG 16 HN ARG 16 -10.310 0.573 -1.902 130 HA ARG 16 HA ARG 16 -9.561 1.154 0.879 131 HB2 ARG 16 HB2 ARG 16 -11.979 1.484 -0.716 132 HB3 ARG 16 HB1 ARG 16 -12.291 0.650 0.800 133 HG2 ARG 16 HG2 ARG 16 -12.492 3.072 1.121 134 HG3 ARG 16 HG1 ARG 16 -11.103 2.464 2.021 135 HD2 ARG 16 HD2 ARG 16 -10.306 3.127 -0.672 136 HD3 ARG 16 HD1 ARG 16 -11.119 4.505 0.063 137 HE ARG 16 HE ARG 16 -9.416 3.794 2.015 138 HH11 ARG 16 HH11 ARG 16 -7.237 4.415 2.159 139 HH12 ARG 16 HH12 ARG 16 -6.348 4.778 0.718 140 HH21 ARG 16 HH21 ARG 16 -9.020 4.160 -1.404 141 HH22 ARG 16 HH22 ARG 16 -7.357 4.634 -1.300
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