NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596393 | 2n6i | 25765 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HN1 NH2 9 H1 NH2 9 19.240 -8.856 -1.452 2 HN2 NH2 9 H2 NH2 9 17.914 -9.913 -1.374 3 H GLN 10 HN GLN 10 16.094 -5.737 -1.911 4 HA GLN 10 HA GLN 10 18.846 -6.625 -2.477 5 HB2 GLN 10 HB2 GLN 10 19.230 -6.792 0.006 6 HB3 GLN 10 HB1 GLN 10 19.113 -5.139 -0.598 7 HG2 GLN 10 HG2 GLN 10 17.800 -5.398 1.465 8 HG3 GLN 10 HG1 GLN 10 16.743 -5.045 0.101 9 HE21 GLN 10 HE21 GLN 10 14.940 -6.348 0.044 10 HE22 GLN 10 HE22 GLN 10 14.852 -7.930 0.640 11 H LYS 11 HN LYS 11 15.890 -1.708 -3.841 12 HA LYS 11 HA LYS 11 15.306 -4.036 -2.933 13 HB2 LYS 11 HB2 LYS 11 15.562 -5.119 -5.122 14 HB3 LYS 11 HB1 LYS 11 14.850 -3.514 -5.250 15 HG2 LYS 11 HG2 LYS 11 17.110 -2.596 -5.789 16 HG3 LYS 11 HG1 LYS 11 17.757 -4.227 -5.762 17 HD2 LYS 11 HD2 LYS 11 15.610 -3.224 -7.651 18 HD3 LYS 11 HD1 LYS 11 17.298 -3.478 -8.069 19 HE2 LYS 11 HE2 LYS 11 15.327 -5.632 -7.219 20 HE3 LYS 11 HE1 LYS 11 15.959 -5.367 -8.831 21 HZ1 LYS 11 HZ1 LYS 11 17.397 -6.332 -6.449 22 HZ2 LYS 11 HZ2 LYS 11 18.235 -5.623 -7.746 23 HZ3 LYS 11 HZ3 LYS 11 17.308 -7.025 -7.994 24 H PHE 12 HN PHE 12 15.596 -0.363 -3.290 25 HA PHE 12 HA PHE 12 18.381 -0.087 -3.202 26 HB2 PHE 12 HB2 PHE 12 18.800 -0.496 -0.802 27 HB3 PHE 12 HB1 PHE 12 18.044 1.069 -1.067 28 HD1 PHE 12 HD2 PHE 12 15.317 -1.009 -1.649 29 HD2 PHE 12 HD1 PHE 12 17.894 0.146 1.604 30 HE1 PHE 12 HE2 PHE 12 13.587 -1.543 -0.098 31 HE2 PHE 12 HE1 PHE 12 16.075 -0.443 3.192 32 HZ PHE 12 HZ PHE 12 13.900 -1.328 2.331 33 H ILE 13 HN ILE 13 15.042 4.041 -3.308 34 HA ILE 13 HA ILE 13 14.054 1.260 -3.170 35 HB ILE 13 HB ILE 13 14.955 0.851 -5.394 36 HG12 ILE 13 HG12 ILE 13 16.731 2.567 -5.416 37 HG13 ILE 13 HG11 ILE 13 15.710 2.671 -6.840 38 HG21 ILE 13 HG21 ILE 13 13.257 2.063 -6.665 39 HG22 ILE 13 HG22 ILE 13 13.081 3.231 -5.356 40 HG23 ILE 13 HG23 ILE 13 12.598 1.553 -5.110 41 HD11 ILE 13 HD11 ILE 13 15.667 4.887 -6.346 42 HD12 ILE 13 HD12 ILE 13 16.127 4.632 -4.670 43 HD13 ILE 13 HD13 ILE 13 14.442 4.445 -5.164 44 H ARG 14 HN ARG 14 11.666 4.873 -0.461 45 HA ARG 14 HA ARG 14 13.332 5.616 -2.784 46 HB2 ARG 14 HB2 ARG 14 14.183 4.689 -0.036 47 HB3 ARG 14 HB1 ARG 14 15.251 5.215 -1.328 48 HG2 ARG 14 HG2 ARG 14 13.178 6.949 0.054 49 HG3 ARG 14 HG1 ARG 14 14.905 6.990 0.368 50 HD2 ARG 14 HD2 ARG 14 13.534 7.714 -2.248 51 HD3 ARG 14 HD1 ARG 14 14.297 8.816 -1.124 52 HE ARG 14 HE ARG 14 15.636 7.316 -3.127 53 HH11 ARG 14 HH21 ARG 14 15.914 8.466 0.131 54 HH12 ARG 14 HH22 ARG 14 17.645 8.426 0.138 55 HH21 ARG 14 HH11 ARG 14 17.900 7.266 -3.117 56 HH22 ARG 14 HH12 ARG 14 18.767 7.750 -1.698 57 H VAL 15 HN VAL 15 8.940 7.891 -2.223 58 HA VAL 15 HA VAL 15 9.691 5.767 -0.280 59 HB VAL 15 HB VAL 15 8.847 4.187 -1.967 60 HG11 VAL 15 HG11 VAL 15 6.457 4.763 -1.764 61 HG12 VAL 15 HG12 VAL 15 6.888 6.414 -1.321 62 HG13 VAL 15 HG13 VAL 15 7.306 5.076 -0.251 63 HG21 VAL 15 HG21 VAL 15 9.239 5.324 -4.030 64 HG22 VAL 15 HG22 VAL 15 8.337 6.745 -3.504 65 HG23 VAL 15 HG23 VAL 15 7.484 5.246 -3.872 66 H8 4FU 16 HAM 4FU 16 10.527 10.313 -1.400 67 H9 4FU 16 HAI 4FU 16 10.318 12.697 -0.819 68 HAI 4FU 16 HAJ 4FU 16 8.887 12.116 -1.698 69 H112 4FU 16 HAE 4FU 16 8.209 13.507 0.206 70 H111 4FU 16 HAF 4FU 16 9.112 12.452 1.316 71 HAG 4FU 16 HAG 4FU 16 6.714 11.869 1.315 72 H12 4FU 16 HAH 4FU 16 6.774 11.632 -0.447 73 HAL 4FU 16 HAL 4FU 16 6.934 9.482 0.746 74 HAK 4FU 16 HAK 4FU 16 8.373 10.060 1.619 75 H14 4FU 16 HAN 4FU 16 8.116 9.785 -1.399 76 H GLY 17 HN GLY 17 11.056 8.579 0.470 77 HA2 GLY 17 HA2 GLY 17 13.029 9.538 2.076 78 HA3 GLY 17 HA1 GLY 17 11.590 9.724 3.075 79 H VAL 18 HN VAL 18 10.136 7.646 2.992 80 HA VAL 18 HA VAL 18 11.575 5.572 4.240 81 HB VAL 18 HB VAL 18 9.199 5.991 4.669 82 HG11 VAL 18 HG11 VAL 18 8.380 6.626 2.510 83 HG12 VAL 18 HG12 VAL 18 7.533 5.149 2.962 84 HG13 VAL 18 HG13 VAL 18 8.855 5.083 1.800 85 HG21 VAL 18 HG21 VAL 18 9.338 3.237 3.443 86 HG22 VAL 18 HG22 VAL 18 8.564 3.747 4.940 87 HG23 VAL 18 HG23 VAL 18 10.320 3.644 4.853 88 H THR 19 HN THR 19 11.325 3.210 3.447 89 HA THR 19 HA THR 19 11.839 2.963 0.547 90 HB THR 19 HB THR 19 14.030 3.128 1.674 91 HG1 THR 19 HG1 THR 19 13.420 1.501 -0.048 92 HG21 THR 19 HG21 THR 19 13.286 2.313 3.897 93 HG22 THR 19 HG22 THR 19 14.706 1.450 3.313 94 HG23 THR 19 HG23 THR 19 13.118 0.690 3.227 95 H ILE 20 HN ILE 20 11.629 0.705 -0.221 96 HA ILE 20 HA ILE 20 10.157 -1.060 1.645 97 HB ILE 20 HB ILE 20 8.446 0.216 0.422 98 HG12 ILE 20 HG12 ILE 20 7.205 -1.691 -0.540 99 HG13 ILE 20 HG11 ILE 20 8.676 -2.654 -0.568 100 HG21 ILE 20 HG21 ILE 20 9.569 -1.029 -2.099 101 HG22 ILE 20 HG22 ILE 20 9.974 0.607 -1.578 102 HG23 ILE 20 HG23 ILE 20 8.304 0.196 -1.968 103 HD11 ILE 20 HD11 ILE 20 6.987 -2.889 1.442 104 HD12 ILE 20 HD12 ILE 20 7.780 -1.428 2.029 105 HD13 ILE 20 HD13 ILE 20 8.722 -2.894 1.753 106 H ARG 21 HN ARG 21 10.740 -3.068 1.566 107 HA ARG 21 HA ARG 21 12.051 -4.183 -0.839 108 HB2 ARG 21 HB2 ARG 21 13.680 -5.293 0.707 109 HB3 ARG 21 HB1 ARG 21 13.861 -3.564 0.650 110 HG2 ARG 21 HG2 ARG 21 12.433 -3.382 2.688 111 HG3 ARG 21 HG1 ARG 21 12.395 -5.134 2.764 112 HD2 ARG 21 HD2 ARG 21 14.868 -3.391 2.935 113 HD3 ARG 21 HD1 ARG 21 14.099 -4.210 4.283 114 HE ARG 21 HE ARG 21 14.801 -6.136 2.338 115 HH11 ARG 21 HH21 ARG 21 16.217 -3.820 4.481 116 HH12 ARG 21 HH22 ARG 21 17.628 -4.768 4.812 117 HH21 ARG 21 HH11 ARG 21 16.642 -7.422 2.819 118 HH22 ARG 21 HH12 ARG 21 17.869 -6.802 3.869 119 H GLU 22 HN GLU 22 11.683 -6.270 -1.260 120 HA GLU 22 HA GLU 22 9.422 -7.565 -0.177 121 HB2 GLU 22 HB2 GLU 22 10.267 -8.007 -2.472 122 HB3 GLU 22 HB1 GLU 22 11.727 -8.719 -1.787 123 HG2 GLU 22 HG2 GLU 22 10.108 -10.467 -2.419 124 HG3 GLU 22 HG1 GLU 22 10.373 -10.456 -0.677 125 H LYS 23 HN LYS 23 12.853 -7.706 0.401 126 HA LYS 23 HA LYS 23 14.149 -8.998 1.804 127 HB2 LYS 23 HB2 LYS 23 13.692 -8.529 4.102 128 HB3 LYS 23 HB1 LYS 23 13.495 -7.074 3.142 129 HG2 LYS 23 HG2 LYS 23 11.043 -7.417 3.129 130 HG3 LYS 23 HG1 LYS 23 11.241 -8.852 4.130 131 HD2 LYS 23 HD2 LYS 23 12.049 -6.030 4.891 132 HD3 LYS 23 HD1 LYS 23 10.619 -6.875 5.474 133 HE2 LYS 23 HE2 LYS 23 12.083 -8.605 6.494 134 HE3 LYS 23 HE1 LYS 23 13.496 -7.700 5.960 135 HZ1 LYS 23 HZ1 LYS 23 12.537 -7.324 8.304 136 HZ2 LYS 23 HZ2 LYS 23 11.455 -6.302 7.483 137 HZ3 LYS 23 HZ3 LYS 23 13.129 -6.029 7.385 138 HN1 NH2 24 H1 NH2 24 13.120 -10.234 4.332 139 HN2 NH2 24 H2 NH2 24 12.347 -11.665 3.846 Start of MODEL 2 1 HN1 NH2 9 H1 NH2 9 18.174 -4.291 -3.707 2 HN2 NH2 9 H2 NH2 9 19.176 -4.806 -4.976 3 H GLN 10 HN GLN 10 15.853 -5.332 -1.838 4 HA GLN 10 HA GLN 10 17.809 -6.598 -1.956 5 HB2 GLN 10 HB2 GLN 10 16.070 -7.945 -4.025 6 HB3 GLN 10 HB1 GLN 10 17.413 -8.688 -3.157 7 HG2 GLN 10 HG2 GLN 10 15.413 -9.336 -2.004 8 HG3 GLN 10 HG1 GLN 10 16.219 -8.121 -1.016 9 HE21 GLN 10 HE21 GLN 10 14.734 -6.653 -3.733 10 HE22 GLN 10 HE22 GLN 10 13.325 -6.129 -2.941 11 H LYS 11 HN LYS 11 14.818 -1.784 -2.957 12 HA LYS 11 HA LYS 11 14.243 -4.023 -2.579 13 HB2 LYS 11 HB2 LYS 11 14.043 -3.686 -5.577 14 HB3 LYS 11 HB1 LYS 11 13.218 -4.888 -4.587 15 HG2 LYS 11 HG2 LYS 11 12.086 -3.130 -3.321 16 HG3 LYS 11 HG1 LYS 11 12.950 -1.897 -4.228 17 HD2 LYS 11 HD2 LYS 11 10.676 -2.113 -5.089 18 HD3 LYS 11 HD1 LYS 11 11.823 -2.654 -6.305 19 HE2 LYS 11 HE2 LYS 11 10.303 -4.490 -4.437 20 HE3 LYS 11 HE1 LYS 11 9.834 -4.150 -6.099 21 HZ1 LYS 11 HZ1 LYS 11 12.450 -4.880 -6.279 22 HZ2 LYS 11 HZ2 LYS 11 11.113 -5.869 -6.627 23 HZ3 LYS 11 HZ3 LYS 11 11.838 -5.923 -5.090 24 H PHE 12 HN PHE 12 15.348 0.183 -2.634 25 HA PHE 12 HA PHE 12 17.208 -0.317 -4.811 26 HB2 PHE 12 HB2 PHE 12 18.634 -1.218 -2.985 27 HB3 PHE 12 HB1 PHE 12 18.109 0.437 -2.668 28 HD1 PHE 12 HD1 PHE 12 17.037 -3.135 -2.031 29 HD2 PHE 12 HD2 PHE 12 17.042 0.934 -0.652 30 HE1 PHE 12 HE1 PHE 12 15.792 -3.824 -0.015 31 HE2 PHE 12 HE2 PHE 12 15.833 0.235 1.397 32 HZ PHE 12 HZ PHE 12 15.221 -2.127 1.712 33 H ILE 13 HN ILE 13 14.341 3.532 -4.219 34 HA ILE 13 HA ILE 13 13.382 1.009 -3.011 35 HB ILE 13 HB ILE 13 12.241 0.630 -5.180 36 HG12 ILE 13 HG12 ILE 13 13.119 3.481 -5.798 37 HG13 ILE 13 HG11 ILE 13 13.685 2.048 -6.640 38 HG21 ILE 13 HG21 ILE 13 11.167 1.761 -3.199 39 HG22 ILE 13 HG22 ILE 13 10.446 2.200 -4.749 40 HG23 ILE 13 HG23 ILE 13 11.552 3.313 -3.943 41 HD11 ILE 13 HD11 ILE 13 11.924 3.025 -7.963 42 HD12 ILE 13 HD12 ILE 13 10.852 3.095 -6.566 43 HD13 ILE 13 HD13 ILE 13 11.304 1.535 -7.253 44 H ARG 14 HN ARG 14 13.011 4.995 -0.926 45 HA ARG 14 HA ARG 14 14.924 5.138 -2.971 46 HB2 ARG 14 HB2 ARG 14 16.463 5.690 -1.170 47 HB3 ARG 14 HB1 ARG 14 15.936 4.287 -0.251 48 HG2 ARG 14 HG2 ARG 14 18.083 3.843 -1.365 49 HG3 ARG 14 HG1 ARG 14 16.827 2.798 -2.009 50 HD2 ARG 14 HD2 ARG 14 18.243 3.732 -3.796 51 HD3 ARG 14 HD1 ARG 14 16.582 4.259 -3.967 52 HE ARG 14 HE ARG 14 18.001 6.168 -2.438 53 HH11 ARG 14 HH21 ARG 14 17.805 4.852 -5.632 54 HH12 ARG 14 HH22 ARG 14 18.337 6.304 -6.413 55 HH21 ARG 14 HH11 ARG 14 18.696 8.078 -3.455 56 HH22 ARG 14 HH12 ARG 14 18.842 8.130 -5.180 57 H VAL 15 HN VAL 15 14.085 7.322 1.311 58 HA VAL 15 HA VAL 15 11.918 6.915 -0.465 59 HB VAL 15 HB VAL 15 11.807 9.367 -0.472 60 HG11 VAL 15 HG11 VAL 15 14.455 9.659 -1.832 61 HG12 VAL 15 HG12 VAL 15 14.512 9.368 -0.096 62 HG13 VAL 15 HG13 VAL 15 13.631 10.756 -0.726 63 HG21 VAL 15 HG21 VAL 15 11.392 7.988 -2.550 64 HG22 VAL 15 HG22 VAL 15 13.044 8.352 -3.048 65 HG23 VAL 15 HG23 VAL 15 11.870 9.656 -2.871 66 H8 4FU 16 HAM 4FU 16 12.254 9.114 5.190 67 H9 4FU 16 HAI 4FU 16 11.546 10.430 2.544 68 HAI 4FU 16 HAJ 4FU 16 11.235 11.107 4.160 69 H112 4FU 16 HAE 4FU 16 13.649 11.103 4.646 70 H111 4FU 16 HAF 4FU 16 13.289 12.055 3.187 71 HAG 4FU 16 HAG 4FU 16 13.914 10.133 1.770 72 H12 4FU 16 HAH 4FU 16 15.250 10.586 2.856 73 HAL 4FU 16 HAL 4FU 16 14.593 8.807 4.422 74 HAK 4FU 16 HAK 4FU 16 14.918 8.128 2.810 75 H14 4FU 16 HAN 4FU 16 12.856 7.180 3.777 76 H GLY 17 HN GLY 17 11.044 6.927 3.061 77 HA2 GLY 17 HA2 GLY 17 8.734 6.306 4.382 78 HA3 GLY 17 HA1 GLY 17 8.228 7.526 3.216 79 H VAL 18 HN VAL 18 9.530 7.016 0.962 80 HA VAL 18 HA VAL 18 8.401 4.473 0.122 81 HB VAL 18 HB VAL 18 9.825 6.629 -1.460 82 HG11 VAL 18 HG11 VAL 18 8.648 3.978 -2.205 83 HG12 VAL 18 HG12 VAL 18 9.947 4.886 -2.978 84 HG13 VAL 18 HG13 VAL 18 8.272 5.328 -3.275 85 HG21 VAL 18 HG21 VAL 18 7.602 7.374 -2.067 86 HG22 VAL 18 HG22 VAL 18 7.676 7.273 -0.308 87 HG23 VAL 18 HG23 VAL 18 6.866 6.007 -1.231 88 H THR 19 HN THR 19 10.599 4.339 1.923 89 HA THR 19 HA THR 19 12.613 2.954 0.247 90 HB THR 19 HB THR 19 13.035 4.321 2.915 91 HG1 THR 19 HG1 THR 19 14.501 5.552 1.453 92 HG21 THR 19 HG21 THR 19 15.472 3.832 2.306 93 HG22 THR 19 HG22 THR 19 14.837 2.713 1.100 94 HG23 THR 19 HG23 THR 19 14.501 2.448 2.810 95 H ILE 20 HN ILE 20 12.791 0.747 0.633 96 HA ILE 20 HA ILE 20 12.265 -0.266 3.287 97 HB ILE 20 HB ILE 20 9.975 0.280 2.527 98 HG12 ILE 20 HG12 ILE 20 8.936 -1.936 2.894 99 HG13 ILE 20 HG11 ILE 20 10.494 -2.714 2.665 100 HG21 ILE 20 HG21 ILE 20 10.519 -0.084 0.094 101 HG22 ILE 20 HG22 ILE 20 9.004 -0.821 0.616 102 HG23 ILE 20 HG23 ILE 20 10.442 -1.820 0.396 103 HD11 ILE 20 HD11 ILE 20 11.342 -1.887 4.699 104 HD12 ILE 20 HD12 ILE 20 9.657 -2.187 5.098 105 HD13 ILE 20 HD13 ILE 20 10.198 -0.548 4.741 106 H ARG 21 HN ARG 21 12.494 -2.435 3.589 107 HA ARG 21 HA ARG 21 13.974 -3.939 1.525 108 HB2 ARG 21 HB2 ARG 21 15.261 -3.409 3.551 109 HB3 ARG 21 HB1 ARG 21 13.964 -4.014 4.557 110 HG2 ARG 21 HG2 ARG 21 15.794 -5.616 4.435 111 HG3 ARG 21 HG1 ARG 21 14.336 -6.264 3.718 112 HD2 ARG 21 HD2 ARG 21 16.371 -6.803 2.407 113 HD3 ARG 21 HD1 ARG 21 15.223 -5.860 1.469 114 HE ARG 21 HE ARG 21 16.966 -4.044 2.608 115 HH11 ARG 21 HH21 ARG 21 17.192 -6.820 0.588 116 HH12 ARG 21 HH22 ARG 21 18.476 -6.175 -0.381 117 HH21 ARG 21 HH11 ARG 21 18.633 -3.178 1.348 118 HH22 ARG 21 HH12 ARG 21 19.283 -4.108 0.039 119 H GLU 22 HN GLU 22 12.126 -4.775 0.519 120 HA GLU 22 HA GLU 22 9.993 -6.045 1.855 121 HB2 GLU 22 HB2 GLU 22 9.837 -5.258 -0.483 122 HB3 GLU 22 HB1 GLU 22 11.031 -6.463 -0.965 123 HG2 GLU 22 HG2 GLU 22 8.740 -7.241 -1.447 124 HG3 GLU 22 HG1 GLU 22 9.513 -8.272 -0.249 125 H LYS 23 HN LYS 23 13.046 -7.205 0.561 126 HA LYS 23 HA LYS 23 13.393 -9.579 0.242 127 HB2 LYS 23 HB2 LYS 23 15.158 -8.154 1.029 128 HB3 LYS 23 HB1 LYS 23 14.542 -8.233 2.668 129 HG2 LYS 23 HG2 LYS 23 16.449 -9.707 2.415 130 HG3 LYS 23 HG1 LYS 23 15.001 -10.642 2.733 131 HD2 LYS 23 HD2 LYS 23 14.798 -11.158 0.324 132 HD3 LYS 23 HD1 LYS 23 16.239 -10.198 0.001 133 HE2 LYS 23 HE2 LYS 23 16.086 -12.628 1.770 134 HE3 LYS 23 HE1 LYS 23 16.724 -12.602 0.131 135 HZ1 LYS 23 HZ1 LYS 23 18.164 -10.667 1.184 136 HZ2 LYS 23 HZ2 LYS 23 18.645 -12.293 1.264 137 HZ3 LYS 23 HZ3 LYS 23 17.889 -11.564 2.598 138 HN1 NH2 24 H1 NH2 24 12.497 -11.580 0.805 139 HN2 NH2 24 H2 NH2 24 11.805 -11.946 2.312 Start of MODEL 3 1 HN1 NH2 9 H1 NH2 9 20.965 -5.560 0.195 2 HN2 NH2 9 H2 NH2 9 21.325 -7.119 -0.369 3 H GLN 10 HN GLN 10 16.844 -5.766 -1.577 4 HA GLN 10 HA GLN 10 18.938 -4.646 0.217 5 HB2 GLN 10 HB2 GLN 10 17.014 -6.909 0.792 6 HB3 GLN 10 HB1 GLN 10 18.123 -6.157 1.935 7 HG2 GLN 10 HG2 GLN 10 15.930 -5.193 2.297 8 HG3 GLN 10 HG1 GLN 10 16.927 -3.965 1.526 9 HE21 GLN 10 HE21 GLN 10 15.740 -2.899 -0.062 10 HE22 GLN 10 HE22 GLN 10 14.616 -3.653 -1.083 11 H LYS 11 HN LYS 11 16.722 -2.079 -4.307 12 HA LYS 11 HA LYS 11 16.181 -4.457 -3.193 13 HB2 LYS 11 HB2 LYS 11 17.233 -4.203 -5.403 14 HB3 LYS 11 HB1 LYS 11 18.745 -3.804 -4.590 15 HG2 LYS 11 HG2 LYS 11 18.868 -6.006 -3.580 16 HG3 LYS 11 HG1 LYS 11 17.271 -6.417 -4.187 17 HD2 LYS 11 HD2 LYS 11 19.034 -7.473 -5.541 18 HD3 LYS 11 HD1 LYS 11 18.120 -6.316 -6.499 19 HE2 LYS 11 HE2 LYS 11 20.790 -5.736 -5.193 20 HE3 LYS 11 HE1 LYS 11 20.580 -6.170 -6.887 21 HZ1 LYS 11 HZ1 LYS 11 20.275 -3.661 -5.640 22 HZ2 LYS 11 HZ2 LYS 11 18.805 -4.121 -6.356 23 HZ3 LYS 11 HZ3 LYS 11 20.222 -4.042 -7.293 24 H PHE 12 HN PHE 12 14.373 -0.761 -3.188 25 HA PHE 12 HA PHE 12 17.032 0.136 -3.369 26 HB2 PHE 12 HB2 PHE 12 17.584 0.387 -0.974 27 HB3 PHE 12 HB1 PHE 12 16.546 1.665 -1.583 28 HD1 PHE 12 HD2 PHE 12 14.369 -1.128 -1.305 29 HD2 PHE 12 HD1 PHE 12 16.543 1.683 1.135 30 HE1 PHE 12 HE2 PHE 12 12.742 -1.401 0.499 31 HE2 PHE 12 HE1 PHE 12 14.877 1.357 2.939 32 HZ PHE 12 HZ PHE 12 12.944 -0.170 2.578 33 H ILE 13 HN ILE 13 13.155 3.361 -4.428 34 HA ILE 13 HA ILE 13 12.480 0.681 -3.365 35 HB ILE 13 HB ILE 13 13.359 -0.498 -5.256 36 HG12 ILE 13 HG12 ILE 13 15.114 1.041 -5.992 37 HG13 ILE 13 HG11 ILE 13 14.064 0.647 -7.337 38 HG21 ILE 13 HG21 ILE 13 10.947 0.936 -5.326 39 HG22 ILE 13 HG22 ILE 13 11.383 -0.398 -6.387 40 HG23 ILE 13 HG23 ILE 13 11.664 1.259 -6.903 41 HD11 ILE 13 HD11 ILE 13 14.462 3.239 -5.945 42 HD12 ILE 13 HD12 ILE 13 12.833 2.879 -6.498 43 HD13 ILE 13 HD13 ILE 13 14.158 2.907 -7.645 44 H ARG 14 HN ARG 14 10.942 5.658 -2.107 45 HA ARG 14 HA ARG 14 9.875 4.460 -3.681 46 HB2 ARG 14 HB2 ARG 14 11.070 6.035 -5.186 47 HB3 ARG 14 HB1 ARG 14 12.365 4.854 -5.323 48 HG2 ARG 14 HG2 ARG 14 10.945 4.602 -7.260 49 HG3 ARG 14 HG1 ARG 14 10.667 3.221 -6.212 50 HD2 ARG 14 HD2 ARG 14 8.560 4.126 -7.112 51 HD3 ARG 14 HD1 ARG 14 8.596 4.211 -5.364 52 HE ARG 14 HE ARG 14 9.604 6.631 -6.431 53 HH11 ARG 14 HH21 ARG 14 6.686 4.793 -6.160 54 HH12 ARG 14 HH22 ARG 14 5.647 6.179 -6.189 55 HH21 ARG 14 HH11 ARG 14 8.251 8.452 -6.471 56 HH22 ARG 14 HH12 ARG 14 6.534 8.251 -6.366 57 H VAL 15 HN VAL 15 15.171 5.441 -1.276 58 HA VAL 15 HA VAL 15 12.418 6.339 -0.759 59 HB VAL 15 HB VAL 15 14.245 7.748 -2.714 60 HG11 VAL 15 HG11 VAL 15 11.284 7.941 -2.122 61 HG12 VAL 15 HG12 VAL 15 12.062 7.652 -3.678 62 HG13 VAL 15 HG13 VAL 15 12.175 9.240 -2.917 63 HG21 VAL 15 HG21 VAL 15 13.016 8.529 -0.059 64 HG22 VAL 15 HG22 VAL 15 13.589 9.726 -1.219 65 HG23 VAL 15 HG23 VAL 15 14.719 8.569 -0.519 66 H8 4FU 16 HAM 4FU 16 15.383 3.646 1.403 67 H9 4FU 16 HAI 4FU 16 16.788 3.218 3.380 68 HAI 4FU 16 HAJ 4FU 16 17.732 3.833 2.006 69 H112 4FU 16 HAE 4FU 16 18.409 4.941 4.096 70 H111 4FU 16 HAF 4FU 16 16.737 5.486 4.355 71 HAG 4FU 16 HAG 4FU 16 18.109 7.273 3.325 72 H12 4FU 16 HAH 4FU 16 18.510 6.181 1.981 73 HAL 4FU 16 HAL 4FU 16 16.703 7.690 1.337 74 HAK 4FU 16 HAK 4FU 16 15.725 7.182 2.724 75 H14 4FU 16 HAN 4FU 16 16.661 5.454 0.400 76 H GLY 17 HN GLY 17 15.460 6.320 3.830 77 HA2 GLY 17 HA2 GLY 17 13.886 5.548 5.813 78 HA3 GLY 17 HA1 GLY 17 13.627 7.121 5.070 79 H VAL 18 HN VAL 18 12.145 7.107 3.105 80 HA VAL 18 HA VAL 18 9.800 5.411 3.687 81 HB VAL 18 HB VAL 18 10.104 7.798 1.837 82 HG11 VAL 18 HG11 VAL 18 7.722 6.134 2.699 83 HG12 VAL 18 HG12 VAL 18 8.318 6.380 1.057 84 HG13 VAL 18 HG13 VAL 18 7.573 7.717 1.933 85 HG21 VAL 18 HG21 VAL 18 8.978 9.060 3.553 86 HG22 VAL 18 HG22 VAL 18 10.318 8.223 4.335 87 HG23 VAL 18 HG23 VAL 18 8.675 7.606 4.505 88 H THR 19 HN THR 19 10.643 3.464 2.839 89 HA THR 19 HA THR 19 10.420 3.262 -0.065 90 HB THR 19 HB THR 19 12.936 2.470 1.403 91 HG1 THR 19 HG1 THR 19 12.458 4.483 -0.528 92 HG21 THR 19 HG21 THR 19 12.285 2.509 -1.523 93 HG22 THR 19 HG22 THR 19 12.281 1.052 -0.570 94 HG23 THR 19 HG23 THR 19 13.772 1.950 -0.815 95 H ILE 20 HN ILE 20 10.140 1.129 -0.789 96 HA ILE 20 HA ILE 20 9.634 -0.961 1.233 97 HB ILE 20 HB ILE 20 7.787 -0.194 -1.039 98 HG12 ILE 20 HG12 ILE 20 7.644 1.362 0.873 99 HG13 ILE 20 HG11 ILE 20 6.182 0.396 0.725 100 HG21 ILE 20 HG21 ILE 20 7.764 -2.469 0.940 101 HG22 ILE 20 HG22 ILE 20 7.649 -2.543 -0.818 102 HG23 ILE 20 HG23 ILE 20 6.296 -1.924 0.130 103 HD11 ILE 20 HD11 ILE 20 7.688 -1.153 2.453 104 HD12 ILE 20 HD12 ILE 20 6.473 0.015 2.947 105 HD13 ILE 20 HD13 ILE 20 8.165 0.478 2.907 106 H ARG 21 HN ARG 21 10.321 -2.946 0.683 107 HA ARG 21 HA ARG 21 10.414 -3.982 -1.924 108 HB2 ARG 21 HB2 ARG 21 12.266 -2.446 -2.224 109 HB3 ARG 21 HB1 ARG 21 13.019 -3.027 -0.766 110 HG2 ARG 21 HG2 ARG 21 14.104 -3.880 -2.707 111 HG3 ARG 21 HG1 ARG 21 13.378 -5.172 -1.776 112 HD2 ARG 21 HD2 ARG 21 11.514 -5.252 -3.352 113 HD3 ARG 21 HD1 ARG 21 12.216 -3.913 -4.259 114 HE ARG 21 HE ARG 21 13.082 -6.624 -4.261 115 HH11 ARG 21 HH21 ARG 21 14.021 -3.344 -4.677 116 HH12 ARG 21 HH22 ARG 21 15.503 -3.726 -5.488 117 HH21 ARG 21 HH11 ARG 21 15.012 -7.156 -5.326 118 HH22 ARG 21 HH12 ARG 21 16.064 -5.886 -5.855 119 H GLU 22 HN GLU 22 11.558 -6.222 -1.866 120 HA GLU 22 HA GLU 22 10.722 -7.497 0.564 121 HB2 GLU 22 HB2 GLU 22 12.137 -8.673 -1.839 122 HB3 GLU 22 HB1 GLU 22 11.487 -9.611 -0.496 123 HG2 GLU 22 HG2 GLU 22 9.880 -9.593 -2.335 124 HG3 GLU 22 HG1 GLU 22 9.230 -8.682 -0.976 125 H LYS 23 HN LYS 23 11.923 -7.046 2.301 126 HA LYS 23 HA LYS 23 14.847 -7.215 2.167 127 HB2 LYS 23 HB2 LYS 23 14.764 -6.332 4.475 128 HB3 LYS 23 HB1 LYS 23 13.857 -5.324 3.347 129 HG2 LYS 23 HG2 LYS 23 11.754 -6.378 4.048 130 HG3 LYS 23 HG1 LYS 23 12.628 -7.452 5.128 131 HD2 LYS 23 HD2 LYS 23 11.633 -5.611 6.399 132 HD3 LYS 23 HD1 LYS 23 13.387 -5.513 6.458 133 HE2 LYS 23 HE2 LYS 23 12.355 -3.294 6.105 134 HE3 LYS 23 HE1 LYS 23 13.353 -3.735 4.734 135 HZ1 LYS 23 HZ1 LYS 23 10.509 -4.458 4.704 136 HZ2 LYS 23 HZ2 LYS 23 11.535 -4.068 3.406 137 HZ3 LYS 23 HZ3 LYS 23 10.934 -2.843 4.416 138 HN1 NH2 24 H1 NH2 24 16.053 -8.792 3.345 139 HN2 NH2 24 H2 NH2 24 15.325 -10.155 4.047 Start of MODEL 4 1 HN1 NH2 9 H1 NH2 9 21.402 -6.270 -0.043 2 HN2 NH2 9 H2 NH2 9 22.198 -7.046 -1.325 3 H GLN 10 HN GLN 10 17.042 -6.279 -1.766 4 HA GLN 10 HA GLN 10 19.172 -5.735 -0.086 5 HB2 GLN 10 HB2 GLN 10 18.010 -8.453 -0.737 6 HB3 GLN 10 HB1 GLN 10 19.021 -8.093 0.663 7 HG2 GLN 10 HG2 GLN 10 17.365 -6.485 1.492 8 HG3 GLN 10 HG1 GLN 10 16.394 -6.747 0.072 9 HE21 GLN 10 HE21 GLN 10 14.727 -8.212 0.308 10 HE22 GLN 10 HE22 GLN 10 14.738 -9.502 1.420 11 H LYS 11 HN LYS 11 18.347 -2.715 -3.768 12 HA LYS 11 HA LYS 11 16.411 -4.944 -3.512 13 HB2 LYS 11 HB2 LYS 11 18.817 -4.850 -5.346 14 HB3 LYS 11 HB1 LYS 11 17.800 -6.249 -5.096 15 HG2 LYS 11 HG2 LYS 11 16.970 -3.605 -6.334 16 HG3 LYS 11 HG1 LYS 11 17.222 -5.113 -7.194 17 HD2 LYS 11 HD2 LYS 11 15.016 -4.529 -5.189 18 HD3 LYS 11 HD1 LYS 11 14.840 -4.743 -6.914 19 HE2 LYS 11 HE2 LYS 11 15.702 -6.881 -4.944 20 HE3 LYS 11 HE1 LYS 11 14.166 -6.780 -5.781 21 HZ1 LYS 11 HZ1 LYS 11 15.249 -8.163 -7.173 22 HZ2 LYS 11 HZ2 LYS 11 16.783 -7.530 -6.813 23 HZ3 LYS 11 HZ3 LYS 11 15.739 -6.691 -7.859 24 H PHE 12 HN PHE 12 14.610 -0.545 -4.022 25 HA PHE 12 HA PHE 12 17.373 -0.630 -4.470 26 HB2 PHE 12 HB2 PHE 12 18.199 -1.244 -2.228 27 HB3 PHE 12 HB1 PHE 12 17.681 0.433 -2.310 28 HD1 PHE 12 HD2 PHE 12 14.544 -0.858 -2.280 29 HD2 PHE 12 HD1 PHE 12 17.998 -0.856 0.283 30 HE1 PHE 12 HE2 PHE 12 13.101 -1.121 -0.365 31 HE2 PHE 12 HE1 PHE 12 16.504 -1.167 2.237 32 HZ PHE 12 HZ PHE 12 14.037 -1.289 1.912 33 H ILE 13 HN ILE 13 14.560 3.946 -3.788 34 HA ILE 13 HA ILE 13 13.337 1.250 -3.670 35 HB ILE 13 HB ILE 13 12.835 2.509 -5.728 36 HG12 ILE 13 HG12 ILE 13 14.822 0.250 -6.176 37 HG13 ILE 13 HG11 ILE 13 13.113 0.036 -5.804 38 HG21 ILE 13 HG21 ILE 13 14.655 3.101 -7.284 39 HG22 ILE 13 HG22 ILE 13 15.849 2.489 -6.141 40 HG23 ILE 13 HG23 ILE 13 14.898 3.917 -5.742 41 HD11 ILE 13 HD11 ILE 13 13.463 -0.153 -8.217 42 HD12 ILE 13 HD12 ILE 13 14.260 1.419 -8.248 43 HD13 ILE 13 HD13 ILE 13 12.540 1.307 -7.869 44 H ARG 14 HN ARG 14 12.072 5.138 -0.134 45 HA ARG 14 HA ARG 14 13.488 5.539 -2.614 46 HB2 ARG 14 HB2 ARG 14 14.531 6.011 -0.452 47 HB3 ARG 14 HB1 ARG 14 14.341 4.324 0.012 48 HG2 ARG 14 HG2 ARG 14 15.796 3.631 -1.847 49 HG3 ARG 14 HG1 ARG 14 15.974 5.318 -2.335 50 HD2 ARG 14 HD2 ARG 14 16.745 4.174 0.356 51 HD3 ARG 14 HD1 ARG 14 17.878 4.560 -0.937 52 HE ARG 14 HE ARG 14 16.775 6.396 0.932 53 HH11 ARG 14 HH21 ARG 14 17.648 6.047 -2.406 54 HH12 ARG 14 HH22 ARG 14 17.878 7.745 -2.660 55 HH21 ARG 14 HH11 ARG 14 17.082 8.615 0.598 56 HH22 ARG 14 HH12 ARG 14 17.559 9.196 -0.962 57 H VAL 15 HN VAL 15 9.381 7.777 -2.030 58 HA VAL 15 HA VAL 15 10.043 5.821 0.108 59 HB VAL 15 HB VAL 15 7.768 5.411 -0.729 60 HG11 VAL 15 HG11 VAL 15 7.252 5.090 -3.001 61 HG12 VAL 15 HG12 VAL 15 8.936 4.836 -3.452 62 HG13 VAL 15 HG13 VAL 15 8.369 6.455 -3.039 63 HG21 VAL 15 HG21 VAL 15 9.297 3.518 -0.124 64 HG22 VAL 15 HG22 VAL 15 9.740 3.384 -1.827 65 HG23 VAL 15 HG23 VAL 15 8.079 3.075 -1.322 66 H8 4FU 16 HAM 4FU 16 10.927 10.152 -1.224 67 H9 4FU 16 HAI 4FU 16 10.795 12.582 -0.840 68 HAI 4FU 16 HAJ 4FU 16 9.425 12.005 -1.814 69 H112 4FU 16 HAE 4FU 16 8.647 13.569 -0.090 70 H111 4FU 16 HAF 4FU 16 9.378 12.557 1.177 71 HAG 4FU 16 HAG 4FU 16 6.961 12.095 0.974 72 H12 4FU 16 HAH 4FU 16 7.179 11.722 -0.751 73 HAL 4FU 16 HAL 4FU 16 7.102 9.664 0.602 74 HAK 4FU 16 HAK 4FU 16 8.479 10.236 1.572 75 H14 4FU 16 HAN 4FU 16 8.501 9.742 -1.429 76 H GLY 17 HN GLY 17 11.170 8.542 0.809 77 HA2 GLY 17 HA2 GLY 17 12.968 9.694 2.572 78 HA3 GLY 17 HA1 GLY 17 11.410 9.726 3.390 79 H VAL 18 HN VAL 18 10.204 7.573 3.352 80 HA VAL 18 HA VAL 18 11.794 5.605 4.587 81 HB VAL 18 HB VAL 18 9.728 4.276 4.542 82 HG11 VAL 18 HG11 VAL 18 10.106 6.193 6.161 83 HG12 VAL 18 HG12 VAL 18 8.417 5.755 5.902 84 HG13 VAL 18 HG13 VAL 18 9.093 7.175 5.103 85 HG21 VAL 18 HG21 VAL 18 8.708 6.528 2.794 86 HG22 VAL 18 HG22 VAL 18 7.709 5.243 3.470 87 HG23 VAL 18 HG23 VAL 18 8.957 4.859 2.285 88 H THR 19 HN THR 19 11.314 3.195 3.746 89 HA THR 19 HA THR 19 11.837 2.979 0.854 90 HB THR 19 HB THR 19 14.053 3.108 1.956 91 HG1 THR 19 HG1 THR 19 13.073 0.903 0.634 92 HG21 THR 19 HG21 THR 19 13.190 0.602 3.420 93 HG22 THR 19 HG22 THR 19 13.262 2.203 4.157 94 HG23 THR 19 HG23 THR 19 14.736 1.437 3.567 95 H ILE 20 HN ILE 20 11.363 0.860 0.004 96 HA ILE 20 HA ILE 20 10.312 -1.152 1.848 97 HB ILE 20 HB ILE 20 8.387 0.362 1.575 98 HG12 ILE 20 HG12 ILE 20 8.057 -2.242 0.040 99 HG13 ILE 20 HG11 ILE 20 8.009 -2.087 1.795 100 HG21 ILE 20 HG21 ILE 20 9.192 1.099 -0.760 101 HG22 ILE 20 HG22 ILE 20 7.455 0.880 -0.548 102 HG23 ILE 20 HG23 ILE 20 8.409 -0.362 -1.360 103 HD11 ILE 20 HD11 ILE 20 6.109 -0.794 -0.183 104 HD12 ILE 20 HD12 ILE 20 6.097 -0.493 1.555 105 HD13 ILE 20 HD13 ILE 20 5.730 -2.104 0.936 106 H ARG 21 HN ARG 21 10.280 -3.193 1.018 107 HA ARG 21 HA ARG 21 10.264 -3.810 -1.722 108 HB2 ARG 21 HB2 ARG 21 12.577 -4.541 -2.045 109 HB3 ARG 21 HB1 ARG 21 12.434 -2.817 -1.816 110 HG2 ARG 21 HG2 ARG 21 14.335 -3.541 -0.552 111 HG3 ARG 21 HG1 ARG 21 13.066 -3.176 0.602 112 HD2 ARG 21 HD2 ARG 21 14.324 -5.302 1.024 113 HD3 ARG 21 HD1 ARG 21 12.585 -5.437 0.969 114 HE ARG 21 HE ARG 21 12.906 -6.885 -0.832 115 HH11 ARG 21 HH21 ARG 21 15.533 -4.673 -0.567 116 HH12 ARG 21 HH22 ARG 21 16.340 -5.249 -1.972 117 HH21 ARG 21 HH11 ARG 21 13.954 -7.656 -2.685 118 HH22 ARG 21 HH12 ARG 21 15.449 -6.939 -3.182 119 H GLU 22 HN GLU 22 11.570 -6.289 -1.818 120 HA GLU 22 HA GLU 22 9.631 -7.918 -0.611 121 HB2 GLU 22 HB2 GLU 22 12.419 -8.670 -1.522 122 HB3 GLU 22 HB1 GLU 22 11.114 -9.809 -1.220 123 HG2 GLU 22 HG2 GLU 22 11.072 -7.609 -3.312 124 HG3 GLU 22 HG1 GLU 22 11.377 -9.309 -3.635 125 H LYS 23 HN LYS 23 12.895 -7.181 0.515 126 HA LYS 23 HA LYS 23 13.961 -7.438 2.461 127 HB2 LYS 23 HB2 LYS 23 12.118 -6.012 3.167 128 HB3 LYS 23 HB1 LYS 23 11.123 -7.428 3.510 129 HG2 LYS 23 HG2 LYS 23 12.832 -8.210 5.120 130 HG3 LYS 23 HG1 LYS 23 13.774 -6.766 4.792 131 HD2 LYS 23 HD2 LYS 23 10.969 -6.807 5.927 132 HD3 LYS 23 HD1 LYS 23 12.429 -6.580 6.878 133 HE2 LYS 23 HE2 LYS 23 11.394 -4.703 4.716 134 HE3 LYS 23 HE1 LYS 23 11.368 -4.420 6.445 135 HZ1 LYS 23 HZ1 LYS 23 13.908 -4.868 6.229 136 HZ2 LYS 23 HZ2 LYS 23 13.265 -3.336 5.875 137 HZ3 LYS 23 HZ3 LYS 23 13.656 -4.406 4.616 138 HN1 NH2 24 H1 NH2 24 14.960 -9.341 3.118 139 HN2 NH2 24 H2 NH2 24 14.174 -10.823 3.380 Start of MODEL 5 1 HN1 NH2 9 H1 NH2 9 21.286 -5.564 -1.294 2 HN2 NH2 9 H2 NH2 9 21.676 -6.711 -2.483 3 H GLN 10 HN GLN 10 16.742 -6.113 -1.290 4 HA GLN 10 HA GLN 10 19.295 -5.360 -0.317 5 HB2 GLN 10 HB2 GLN 10 18.035 -8.116 -0.230 6 HB3 GLN 10 HB1 GLN 10 19.334 -7.529 0.810 7 HG2 GLN 10 HG2 GLN 10 16.542 -6.403 0.649 8 HG3 GLN 10 HG1 GLN 10 17.179 -7.368 1.968 9 HE21 GLN 10 HE21 GLN 10 16.557 -4.215 1.099 10 HE22 GLN 10 HE22 GLN 10 17.707 -3.430 2.079 11 H LYS 11 HN LYS 11 15.407 -2.575 -3.496 12 HA LYS 11 HA LYS 11 15.651 -4.945 -2.773 13 HB2 LYS 11 HB2 LYS 11 17.432 -4.171 -5.092 14 HB3 LYS 11 HB1 LYS 11 16.867 -5.796 -4.720 15 HG2 LYS 11 HG2 LYS 11 14.538 -5.076 -4.994 16 HG3 LYS 11 HG1 LYS 11 15.069 -3.429 -5.290 17 HD2 LYS 11 HD2 LYS 11 14.534 -4.528 -7.411 18 HD3 LYS 11 HD1 LYS 11 16.251 -4.167 -7.330 19 HE2 LYS 11 HE2 LYS 11 15.815 -6.425 -8.243 20 HE3 LYS 11 HE1 LYS 11 16.738 -6.517 -6.756 21 HZ1 LYS 11 HZ1 LYS 11 13.795 -6.641 -6.689 22 HZ2 LYS 11 HZ2 LYS 11 14.916 -7.273 -5.578 23 HZ3 LYS 11 HZ3 LYS 11 14.689 -8.026 -7.084 24 H PHE 12 HN PHE 12 14.411 -1.045 -1.985 25 HA PHE 12 HA PHE 12 16.984 -0.119 -3.098 26 HB2 PHE 12 HB2 PHE 12 17.865 -0.126 -0.738 27 HB3 PHE 12 HB1 PHE 12 16.699 1.146 -1.100 28 HD1 PHE 12 HD1 PHE 12 16.803 -2.396 0.211 29 HD2 PHE 12 HD2 PHE 12 14.846 1.416 0.282 30 HE1 PHE 12 HE1 PHE 12 15.227 -3.221 1.894 31 HE2 PHE 12 HE2 PHE 12 13.279 0.555 2.007 32 HZ PHE 12 HZ PHE 12 13.444 -1.775 2.785 33 H ILE 13 HN ILE 13 12.712 2.141 -4.748 34 HA ILE 13 HA ILE 13 12.573 0.301 -2.433 35 HB ILE 13 HB ILE 13 11.365 -0.417 -4.471 36 HG12 ILE 13 HG12 ILE 13 13.882 -2.009 -3.928 37 HG13 ILE 13 HG11 ILE 13 12.413 -2.094 -2.971 38 HG21 ILE 13 HG21 ILE 13 14.123 -0.387 -5.758 39 HG22 ILE 13 HG22 ILE 13 12.833 0.758 -6.119 40 HG23 ILE 13 HG23 ILE 13 12.635 -0.944 -6.517 41 HD11 ILE 13 HD11 ILE 13 11.167 -2.880 -4.952 42 HD12 ILE 13 HD12 ILE 13 12.522 -3.949 -4.599 43 HD13 ILE 13 HD13 ILE 13 12.639 -2.792 -5.919 44 H ARG 14 HN ARG 14 11.151 5.667 -2.293 45 HA ARG 14 HA ARG 14 10.471 4.034 -3.731 46 HB2 ARG 14 HB2 ARG 14 13.255 4.165 -4.896 47 HB3 ARG 14 HB1 ARG 14 11.862 3.387 -5.619 48 HG2 ARG 14 HG2 ARG 14 12.122 6.351 -5.078 49 HG3 ARG 14 HG1 ARG 14 12.306 5.586 -6.642 50 HD2 ARG 14 HD2 ARG 14 9.764 5.674 -4.977 51 HD3 ARG 14 HD1 ARG 14 10.078 6.549 -6.458 52 HE ARG 14 HE ARG 14 9.186 3.860 -6.290 53 HH11 ARG 14 HH21 ARG 14 11.263 5.995 -8.062 54 HH12 ARG 14 HH22 ARG 14 11.241 5.036 -9.504 55 HH21 ARG 14 HH11 ARG 14 9.155 2.608 -8.178 56 HH22 ARG 14 HH12 ARG 14 10.050 3.123 -9.569 57 H VAL 15 HN VAL 15 15.231 6.099 -1.011 58 HA VAL 15 HA VAL 15 12.391 6.859 -0.937 59 HB VAL 15 HB VAL 15 14.327 7.969 -2.992 60 HG11 VAL 15 HG11 VAL 15 12.511 8.487 -4.267 61 HG12 VAL 15 HG12 VAL 15 11.695 9.238 -2.901 62 HG13 VAL 15 HG13 VAL 15 11.522 7.513 -3.182 63 HG21 VAL 15 HG21 VAL 15 14.684 9.197 -0.981 64 HG22 VAL 15 HG22 VAL 15 12.961 9.223 -0.599 65 HG23 VAL 15 HG23 VAL 15 13.581 10.184 -1.939 66 H8 4FU 16 HAM 4FU 16 15.288 4.786 1.839 67 H9 4FU 16 HAI 4FU 16 16.690 4.660 3.854 68 HAI 4FU 16 HAJ 4FU 16 17.629 5.189 2.439 69 H112 4FU 16 HAE 4FU 16 18.167 6.557 4.426 70 H111 4FU 16 HAF 4FU 16 16.453 7.019 4.561 71 HAG 4FU 16 HAG 4FU 16 17.762 8.763 3.379 72 H12 4FU 16 HAH 4FU 16 18.267 7.554 2.177 73 HAL 4FU 16 HAL 4FU 16 16.385 8.876 1.333 74 HAK 4FU 16 HAK 4FU 16 15.411 8.442 2.754 75 H14 4FU 16 HAN 4FU 16 16.557 6.531 0.679 76 H GLY 17 HN GLY 17 14.115 7.826 2.622 77 HA2 GLY 17 HA2 GLY 17 13.018 7.263 5.217 78 HA3 GLY 17 HA1 GLY 17 12.565 8.596 4.155 79 H VAL 18 HN VAL 18 11.282 7.939 2.177 80 HA VAL 18 HA VAL 18 9.105 6.183 2.999 81 HB VAL 18 HB VAL 18 7.969 7.162 1.051 82 HG11 VAL 18 HG11 VAL 18 9.355 9.233 2.770 83 HG12 VAL 18 HG12 VAL 18 7.940 8.301 3.258 84 HG13 VAL 18 HG13 VAL 18 7.823 9.448 1.923 85 HG21 VAL 18 HG21 VAL 18 9.387 9.270 0.118 86 HG22 VAL 18 HG22 VAL 18 9.464 7.690 -0.646 87 HG23 VAL 18 HG23 VAL 18 10.727 8.183 0.480 88 H THR 19 HN THR 19 10.381 4.225 2.816 89 HA THR 19 HA THR 19 10.539 3.250 0.031 90 HB THR 19 HB THR 19 12.651 2.144 0.522 91 HG1 THR 19 HG1 THR 19 11.965 2.909 3.041 92 HG21 THR 19 HG21 THR 19 12.432 4.627 -0.230 93 HG22 THR 19 HG22 THR 19 14.006 4.043 0.303 94 HG23 THR 19 HG23 THR 19 13.000 4.997 1.392 95 H ILE 20 HN ILE 20 11.178 0.723 0.244 96 HA ILE 20 HA ILE 20 9.562 -0.518 2.361 97 HB ILE 20 HB ILE 20 8.008 -0.101 0.495 98 HG12 ILE 20 HG12 ILE 20 8.778 -3.035 0.646 99 HG13 ILE 20 HG11 ILE 20 7.761 -2.202 1.824 100 HG21 ILE 20 HG21 ILE 20 9.816 -1.877 -1.158 101 HG22 ILE 20 HG22 ILE 20 9.852 -0.116 -1.243 102 HG23 ILE 20 HG23 ILE 20 8.390 -0.991 -1.700 103 HD11 ILE 20 HD11 ILE 20 6.324 -3.338 0.236 104 HD12 ILE 20 HD12 ILE 20 7.189 -2.618 -1.123 105 HD13 ILE 20 HD13 ILE 20 6.211 -1.603 -0.065 106 H ARG 21 HN ARG 21 9.788 -2.831 2.471 107 HA ARG 21 HA ARG 21 12.577 -3.612 1.924 108 HB2 ARG 21 HB2 ARG 21 11.408 -3.564 4.228 109 HB3 ARG 21 HB1 ARG 21 10.468 -4.927 3.659 110 HG2 ARG 21 HG2 ARG 21 13.454 -4.817 4.064 111 HG3 ARG 21 HG1 ARG 21 12.301 -5.701 5.028 112 HD2 ARG 21 HD2 ARG 21 13.454 -7.249 3.596 113 HD3 ARG 21 HD1 ARG 21 11.785 -7.132 3.054 114 HE ARG 21 HE ARG 21 12.644 -6.437 1.018 115 HH11 ARG 21 HH21 ARG 21 14.932 -5.862 3.513 116 HH12 ARG 21 HH22 ARG 21 15.994 -4.937 2.517 117 HH21 ARG 21 HH11 ARG 21 14.000 -5.223 -0.314 118 HH22 ARG 21 HH12 ARG 21 15.472 -4.576 0.331 119 H GLU 22 HN GLU 22 12.656 -4.561 -0.069 120 HA GLU 22 HA GLU 22 10.473 -6.209 -1.042 121 HB2 GLU 22 HB2 GLU 22 11.635 -4.671 -2.571 122 HB3 GLU 22 HB1 GLU 22 13.153 -5.515 -2.274 123 HG2 GLU 22 HG2 GLU 22 12.120 -6.265 -4.384 124 HG3 GLU 22 HG1 GLU 22 12.199 -7.586 -3.224 125 H LYS 23 HN LYS 23 13.940 -6.675 -0.319 126 HA LYS 23 HA LYS 23 15.154 -8.677 -0.403 127 HB2 LYS 23 HB2 LYS 23 14.826 -7.947 1.864 128 HB3 LYS 23 HB1 LYS 23 13.314 -8.843 1.970 129 HG2 LYS 23 HG2 LYS 23 14.545 -10.944 1.518 130 HG3 LYS 23 HG1 LYS 23 16.042 -10.028 1.433 131 HD2 LYS 23 HD2 LYS 23 14.254 -10.190 3.870 132 HD3 LYS 23 HD1 LYS 23 15.696 -11.168 3.633 133 HE2 LYS 23 HE2 LYS 23 17.057 -9.087 3.526 134 HE3 LYS 23 HE1 LYS 23 15.608 -8.139 3.845 135 HZ1 LYS 23 HZ1 LYS 23 15.866 -10.247 5.700 136 HZ2 LYS 23 HZ2 LYS 23 15.726 -8.577 5.972 137 HZ3 LYS 23 HZ3 LYS 23 17.252 -9.271 5.701 138 HN1 NH2 24 H1 NH2 24 14.391 -9.883 -2.304 139 HN2 NH2 24 H2 NH2 24 13.309 -11.178 -2.123 Start of MODEL 6 1 HN1 NH2 9 H1 NH2 9 15.445 -7.649 -0.803 2 HN2 NH2 9 H2 NH2 9 15.664 -9.316 -0.571 3 H GLN 10 HN GLN 10 16.207 -5.714 -1.783 4 HA GLN 10 HA GLN 10 18.759 -7.064 -2.032 5 HB2 GLN 10 HB2 GLN 10 18.577 -5.140 -0.576 6 HB3 GLN 10 HB1 GLN 10 17.200 -5.852 0.256 7 HG2 GLN 10 HG2 GLN 10 19.887 -7.148 0.136 8 HG3 GLN 10 HG1 GLN 10 19.425 -6.042 1.406 9 HE21 GLN 10 HE21 GLN 10 16.540 -7.416 0.896 10 HE22 GLN 10 HE22 GLN 10 16.655 -8.792 1.885 11 H LYS 11 HN LYS 11 17.066 -3.729 -4.644 12 HA LYS 11 HA LYS 11 14.967 -5.443 -3.534 13 HB2 LYS 11 HB2 LYS 11 15.150 -7.035 -5.420 14 HB3 LYS 11 HB1 LYS 11 14.437 -5.473 -5.809 15 HG2 LYS 11 HG2 LYS 11 16.502 -4.710 -6.829 16 HG3 LYS 11 HG1 LYS 11 17.334 -6.173 -6.341 17 HD2 LYS 11 HD2 LYS 11 16.689 -6.243 -8.726 18 HD3 LYS 11 HD1 LYS 11 15.916 -7.522 -7.803 19 HE2 LYS 11 HE2 LYS 11 14.596 -4.894 -8.544 20 HE3 LYS 11 HE1 LYS 11 14.362 -6.412 -9.407 21 HZ1 LYS 11 HZ1 LYS 11 13.114 -5.504 -7.040 22 HZ2 LYS 11 HZ2 LYS 11 13.947 -6.948 -6.718 23 HZ3 LYS 11 HZ3 LYS 11 12.778 -6.894 -7.954 24 H PHE 12 HN PHE 12 14.160 -0.934 -3.033 25 HA PHE 12 HA PHE 12 15.910 -1.391 -5.357 26 HB2 PHE 12 HB2 PHE 12 17.750 -1.958 -3.766 27 HB3 PHE 12 HB1 PHE 12 17.282 -0.255 -3.684 28 HD1 PHE 12 HD1 PHE 12 16.580 -3.588 -2.077 29 HD2 PHE 12 HD2 PHE 12 16.561 0.677 -1.672 30 HE1 PHE 12 HE1 PHE 12 15.827 -3.814 0.258 31 HE2 PHE 12 HE2 PHE 12 15.829 0.454 0.683 32 HZ PHE 12 HZ PHE 12 15.453 -1.781 1.631 33 H ILE 13 HN ILE 13 13.777 3.221 -4.337 34 HA ILE 13 HA ILE 13 13.041 0.797 -2.822 35 HB ILE 13 HB ILE 13 11.677 0.113 -4.713 36 HG12 ILE 13 HG12 ILE 13 12.906 1.224 -6.543 37 HG13 ILE 13 HG11 ILE 13 11.199 1.624 -6.582 38 HG21 ILE 13 HG21 ILE 13 9.900 1.799 -4.462 39 HG22 ILE 13 HG22 ILE 13 11.067 2.932 -3.783 40 HG23 ILE 13 HG23 ILE 13 10.670 1.450 -2.914 41 HD11 ILE 13 HD11 ILE 13 12.145 3.705 -5.082 42 HD12 ILE 13 HD12 ILE 13 11.973 3.747 -6.831 43 HD13 ILE 13 HD13 ILE 13 13.538 3.378 -6.120 44 H ARG 14 HN ARG 14 12.674 4.943 -1.069 45 HA ARG 14 HA ARG 14 14.361 4.980 -3.314 46 HB2 ARG 14 HB2 ARG 14 16.037 5.770 -1.725 47 HB3 ARG 14 HB1 ARG 14 15.688 4.425 -0.652 48 HG2 ARG 14 HG2 ARG 14 17.734 3.985 -1.921 49 HG3 ARG 14 HG1 ARG 14 16.480 2.849 -2.384 50 HD2 ARG 14 HD2 ARG 14 16.010 4.135 -4.409 51 HD3 ARG 14 HD1 ARG 14 17.185 5.357 -3.930 52 HE ARG 14 HE ARG 14 18.465 2.850 -4.004 53 HH11 ARG 14 HH21 ARG 14 16.920 5.134 -6.094 54 HH12 ARG 14 HH22 ARG 14 17.875 4.721 -7.478 55 HH21 ARG 14 HH11 ARG 14 19.721 2.304 -5.814 56 HH22 ARG 14 HH12 ARG 14 19.461 3.119 -7.320 57 H VAL 15 HN VAL 15 13.816 8.564 0.445 58 HA VAL 15 HA VAL 15 11.651 6.721 -0.427 59 HB VAL 15 HB VAL 15 11.314 8.128 -2.405 60 HG11 VAL 15 HG11 VAL 15 9.993 9.766 -1.345 61 HG12 VAL 15 HG12 VAL 15 11.128 9.958 -0.011 62 HG13 VAL 15 HG13 VAL 15 10.131 8.510 -0.116 63 HG21 VAL 15 HG21 VAL 15 13.296 9.277 -2.867 64 HG22 VAL 15 HG22 VAL 15 13.584 9.683 -1.176 65 HG23 VAL 15 HG23 VAL 15 12.363 10.558 -2.099 66 H8 4FU 16 HAM 4FU 16 12.705 9.477 4.698 67 H9 4FU 16 HAI 4FU 16 10.984 9.735 2.206 68 HAI 4FU 16 HAJ 4FU 16 10.758 10.637 3.723 69 H112 4FU 16 HAE 4FU 16 13.000 11.627 3.490 70 H111 4FU 16 HAF 4FU 16 11.989 11.986 2.071 71 HAG 4FU 16 HAG 4FU 16 13.056 10.143 0.828 72 H12 4FU 16 HAH 4FU 16 14.274 11.294 1.421 73 HAL 4FU 16 HAL 4FU 16 14.746 9.841 3.338 74 HAK 4FU 16 HAK 4FU 16 14.974 8.947 1.819 75 H14 4FU 16 HAN 4FU 16 13.742 7.600 3.479 76 H GLY 17 HN GLY 17 9.990 8.392 2.765 77 HA2 GLY 17 HA2 GLY 17 9.259 6.458 4.908 78 HA3 GLY 17 HA1 GLY 17 8.104 7.417 3.991 79 H VAL 18 HN VAL 18 9.437 7.011 1.411 80 HA VAL 18 HA VAL 18 8.329 4.370 0.847 81 HB VAL 18 HB VAL 18 9.406 6.493 -1.022 82 HG11 VAL 18 HG11 VAL 18 9.454 4.665 -2.436 83 HG12 VAL 18 HG12 VAL 18 7.731 4.997 -2.549 84 HG13 VAL 18 HG13 VAL 18 8.314 3.742 -1.457 85 HG21 VAL 18 HG21 VAL 18 6.618 5.776 -0.078 86 HG22 VAL 18 HG22 VAL 18 6.931 6.810 -1.473 87 HG23 VAL 18 HG23 VAL 18 7.459 7.313 0.133 88 H THR 19 HN THR 19 10.849 4.640 2.311 89 HA THR 19 HA THR 19 12.614 3.106 0.483 90 HB THR 19 HB THR 19 13.426 4.893 2.785 91 HG1 THR 19 HG1 THR 19 14.037 6.286 1.271 92 HG21 THR 19 HG21 THR 19 14.933 2.980 1.012 93 HG22 THR 19 HG22 THR 19 15.032 3.186 2.761 94 HG23 THR 19 HG23 THR 19 15.740 4.394 1.690 95 H ILE 20 HN ILE 20 12.809 0.996 1.056 96 HA ILE 20 HA ILE 20 13.193 0.229 3.791 97 HB ILE 20 HB ILE 20 10.780 0.817 3.866 98 HG12 ILE 20 HG12 ILE 20 9.914 -1.289 4.792 99 HG13 ILE 20 HG11 ILE 20 11.241 -2.178 4.065 100 HG21 ILE 20 HG21 ILE 20 10.418 -1.446 1.895 101 HG22 ILE 20 HG22 ILE 20 10.387 0.261 1.451 102 HG23 ILE 20 HG23 ILE 20 9.166 -0.388 2.545 103 HD11 ILE 20 HD11 ILE 20 12.826 -1.262 5.549 104 HD12 ILE 20 HD12 ILE 20 11.409 -1.439 6.578 105 HD13 ILE 20 HD13 ILE 20 11.817 0.139 5.907 106 H ARG 21 HN ARG 21 13.290 -2.109 4.125 107 HA ARG 21 HA ARG 21 13.996 -3.576 1.666 108 HB2 ARG 21 HB2 ARG 21 15.875 -3.297 3.225 109 HB3 ARG 21 HB1 ARG 21 14.915 -4.006 4.514 110 HG2 ARG 21 HG2 ARG 21 14.801 -6.131 3.334 111 HG3 ARG 21 HG1 ARG 21 15.626 -5.435 1.937 112 HD2 ARG 21 HD2 ARG 21 16.797 -5.594 4.724 113 HD3 ARG 21 HD1 ARG 21 17.163 -6.724 3.421 114 HE ARG 21 HE ARG 21 17.628 -4.187 2.387 115 HH11 ARG 21 HH21 ARG 21 18.760 -6.172 4.997 116 HH12 ARG 21 HH22 ARG 21 20.384 -5.573 4.936 117 HH21 ARG 21 HH11 ARG 21 19.762 -3.398 2.307 118 HH22 ARG 21 HH12 ARG 21 20.952 -4.002 3.413 119 H GLU 22 HN GLU 22 13.042 -5.329 1.142 120 HA GLU 22 HA GLU 22 11.837 -7.285 2.697 121 HB2 GLU 22 HB2 GLU 22 10.141 -5.548 3.296 122 HB3 GLU 22 HB1 GLU 22 9.838 -5.269 1.585 123 HG2 GLU 22 HG2 GLU 22 8.136 -6.762 2.556 124 HG3 GLU 22 HG1 GLU 22 9.083 -7.602 1.334 125 H LYS 23 HN LYS 23 12.426 -5.480 -0.057 126 HA LYS 23 HA LYS 23 11.310 -7.246 -2.028 127 HB2 LYS 23 HB2 LYS 23 13.204 -4.899 -2.191 128 HB3 LYS 23 HB1 LYS 23 12.656 -5.798 -3.606 129 HG2 LYS 23 HG2 LYS 23 11.324 -3.762 -3.300 130 HG3 LYS 23 HG1 LYS 23 10.316 -5.181 -3.070 131 HD2 LYS 23 HD2 LYS 23 10.443 -4.914 -0.642 132 HD3 LYS 23 HD1 LYS 23 11.541 -3.546 -0.821 133 HE2 LYS 23 HE2 LYS 23 8.689 -3.699 -1.854 134 HE3 LYS 23 HE1 LYS 23 9.207 -2.815 -0.419 135 HZ1 LYS 23 HZ1 LYS 23 9.321 -1.151 -1.922 136 HZ2 LYS 23 HZ2 LYS 23 9.601 -2.184 -3.241 137 HZ3 LYS 23 HZ3 LYS 23 10.870 -1.788 -2.180 138 HN1 NH2 24 H1 NH2 24 12.967 -8.764 -0.301 139 HN2 NH2 24 H2 NH2 24 14.333 -9.269 -1.173 Start of MODEL 7 1 HN1 NH2 9 H1 NH2 9 16.713 -7.856 -2.989 2 HN2 NH2 9 H2 NH2 9 17.515 -9.337 -3.200 3 H GLN 10 HN GLN 10 16.521 -5.729 -1.870 4 HA GLN 10 HA GLN 10 19.420 -6.087 -1.762 5 HB2 GLN 10 HB2 GLN 10 19.076 -7.080 0.407 6 HB3 GLN 10 HB1 GLN 10 18.107 -5.616 0.313 7 HG2 GLN 10 HG2 GLN 10 17.092 -8.455 -0.027 8 HG3 GLN 10 HG1 GLN 10 16.850 -7.434 1.379 9 HE21 GLN 10 HE21 GLN 10 14.882 -6.375 1.418 10 HE22 GLN 10 HE22 GLN 10 13.933 -6.028 0.057 11 H LYS 11 HN LYS 11 15.866 -2.309 -4.011 12 HA LYS 11 HA LYS 11 15.581 -4.716 -3.572 13 HB2 LYS 11 HB2 LYS 11 17.407 -4.213 -5.934 14 HB3 LYS 11 HB1 LYS 11 16.433 -5.650 -5.640 15 HG2 LYS 11 HG2 LYS 11 14.382 -4.330 -5.705 16 HG3 LYS 11 HG1 LYS 11 15.318 -2.858 -5.891 17 HD2 LYS 11 HD2 LYS 11 14.397 -3.544 -8.052 18 HD3 LYS 11 HD1 LYS 11 16.149 -3.650 -8.078 19 HE2 LYS 11 HE2 LYS 11 14.288 -5.998 -7.618 20 HE3 LYS 11 HE1 LYS 11 15.038 -5.603 -9.160 21 HZ1 LYS 11 HZ1 LYS 11 16.702 -6.883 -8.482 22 HZ2 LYS 11 HZ2 LYS 11 16.140 -6.927 -6.878 23 HZ3 LYS 11 HZ3 LYS 11 17.115 -5.639 -7.405 24 H PHE 12 HN PHE 12 15.405 -0.931 -3.045 25 HA PHE 12 HA PHE 12 18.196 -0.338 -3.542 26 HB2 PHE 12 HB2 PHE 12 18.846 -0.799 -1.177 27 HB3 PHE 12 HB1 PHE 12 17.916 0.690 -1.372 28 HD1 PHE 12 HD1 PHE 12 17.465 -2.978 -0.628 29 HD2 PHE 12 HD2 PHE 12 15.947 1.006 -0.168 30 HE1 PHE 12 HE1 PHE 12 15.633 -3.841 0.769 31 HE2 PHE 12 HE2 PHE 12 14.131 0.133 1.256 32 HZ PHE 12 HZ PHE 12 13.955 -2.276 1.732 33 H ILE 13 HN ILE 13 14.635 3.452 -3.846 34 HA ILE 13 HA ILE 13 13.843 0.665 -3.233 35 HB ILE 13 HB ILE 13 14.821 1.965 -5.783 36 HG12 ILE 13 HG12 ILE 13 12.125 0.788 -5.023 37 HG13 ILE 13 HG11 ILE 13 12.495 2.508 -5.129 38 HG21 ILE 13 HG21 ILE 13 15.551 -0.149 -6.294 39 HG22 ILE 13 HG22 ILE 13 13.848 -0.568 -6.449 40 HG23 ILE 13 HG23 ILE 13 14.696 -0.869 -4.937 41 HD11 ILE 13 HD11 ILE 13 12.976 2.298 -7.515 42 HD12 ILE 13 HD12 ILE 13 11.375 1.637 -7.186 43 HD13 ILE 13 HD13 ILE 13 12.741 0.551 -7.437 44 H ARG 14 HN ARG 14 11.804 4.762 -0.568 45 HA ARG 14 HA ARG 14 13.478 5.049 -2.961 46 HB2 ARG 14 HB2 ARG 14 14.219 4.544 -0.095 47 HB3 ARG 14 HB1 ARG 14 15.363 4.696 -1.429 48 HG2 ARG 14 HG2 ARG 14 14.509 6.958 -1.912 49 HG3 ARG 14 HG1 ARG 14 13.364 6.812 -0.579 50 HD2 ARG 14 HD2 ARG 14 16.377 6.658 -0.329 51 HD3 ARG 14 HD1 ARG 14 15.391 8.052 0.102 52 HE ARG 14 HE ARG 14 15.791 5.719 1.685 53 HH11 ARG 14 HH21 ARG 14 13.478 8.110 0.756 54 HH12 ARG 14 HH22 ARG 14 12.511 7.930 2.179 55 HH21 ARG 14 HH11 ARG 14 14.531 5.484 3.570 56 HH22 ARG 14 HH12 ARG 14 13.105 6.445 3.773 57 H VAL 15 HN VAL 15 9.134 7.409 -2.871 58 HA VAL 15 HA VAL 15 9.811 5.634 -0.582 59 HB VAL 15 HB VAL 15 7.690 5.085 -1.700 60 HG11 VAL 15 HG11 VAL 15 7.539 4.606 -4.017 61 HG12 VAL 15 HG12 VAL 15 9.290 4.518 -4.201 62 HG13 VAL 15 HG13 VAL 15 8.507 6.077 -3.937 63 HG21 VAL 15 HG21 VAL 15 9.345 3.321 -0.854 64 HG22 VAL 15 HG22 VAL 15 9.783 3.072 -2.544 65 HG23 VAL 15 HG23 VAL 15 8.132 2.763 -2.004 66 H8 4FU 16 HAM 4FU 16 8.245 11.345 -0.598 67 H9 4FU 16 HAI 4FU 16 7.627 8.709 0.782 68 HAI 4FU 16 HAJ 4FU 16 7.066 10.313 1.308 69 H112 4FU 16 HAE 4FU 16 5.878 10.619 -0.827 70 H111 4FU 16 HAF 4FU 16 5.324 9.151 0.011 71 HAG 4FU 16 HAG 4FU 16 6.802 7.773 -1.407 72 H12 4FU 16 HAH 4FU 16 5.692 8.746 -2.401 73 HAL 4FU 16 HAL 4FU 16 7.454 10.421 -2.753 74 HAK 4FU 16 HAK 4FU 16 8.007 8.819 -3.292 75 H14 4FU 16 HAN 4FU 16 9.756 9.969 -1.988 76 H GLY 17 HN GLY 17 9.005 9.031 1.865 77 HA2 GLY 17 HA2 GLY 17 11.768 9.913 2.190 78 HA3 GLY 17 HA1 GLY 17 10.645 10.485 3.420 79 H VAL 18 HN VAL 18 10.349 7.370 1.823 80 HA VAL 18 HA VAL 18 11.204 5.990 4.285 81 HB VAL 18 HB VAL 18 9.356 4.431 3.889 82 HG11 VAL 18 HG11 VAL 18 8.986 6.304 5.416 83 HG12 VAL 18 HG12 VAL 18 7.509 5.982 4.509 84 HG13 VAL 18 HG13 VAL 18 8.542 7.339 4.058 85 HG21 VAL 18 HG21 VAL 18 7.575 5.105 2.265 86 HG22 VAL 18 HG22 VAL 18 9.096 4.669 1.488 87 HG23 VAL 18 HG23 VAL 18 8.656 6.367 1.677 88 H THR 19 HN THR 19 11.842 3.759 3.926 89 HA THR 19 HA THR 19 12.577 3.050 1.153 90 HB THR 19 HB THR 19 14.561 4.136 2.172 91 HG1 THR 19 HG1 THR 19 15.023 2.499 0.782 92 HG21 THR 19 HG21 THR 19 15.554 3.399 4.170 93 HG22 THR 19 HG22 THR 19 14.664 1.879 4.161 94 HG23 THR 19 HG23 THR 19 13.834 3.385 4.551 95 H ILE 20 HN ILE 20 11.830 1.037 0.762 96 HA ILE 20 HA ILE 20 12.081 -1.044 2.750 97 HB ILE 20 HB ILE 20 9.723 -1.652 2.665 98 HG12 ILE 20 HG12 ILE 20 9.084 -0.618 0.549 99 HG13 ILE 20 HG11 ILE 20 8.030 -0.068 1.844 100 HG21 ILE 20 HG21 ILE 20 9.991 1.187 3.642 101 HG22 ILE 20 HG22 ILE 20 10.679 -0.198 4.489 102 HG23 ILE 20 HG23 ILE 20 8.935 -0.073 4.275 103 HD11 ILE 20 HD11 ILE 20 9.838 1.907 1.978 104 HD12 ILE 20 HD12 ILE 20 8.491 1.956 0.847 105 HD13 ILE 20 HD13 ILE 20 10.081 1.445 0.292 106 H ARG 21 HN ARG 21 11.185 -3.152 1.862 107 HA ARG 21 HA ARG 21 10.883 -3.373 -0.968 108 HB2 ARG 21 HB2 ARG 21 13.292 -3.042 -0.850 109 HB3 ARG 21 HB1 ARG 21 13.424 -4.308 0.360 110 HG2 ARG 21 HG2 ARG 21 14.111 -5.090 -1.859 111 HG3 ARG 21 HG1 ARG 21 12.733 -5.985 -1.271 112 HD2 ARG 21 HD2 ARG 21 12.512 -5.380 -3.664 113 HD3 ARG 21 HD1 ARG 21 11.237 -4.650 -2.715 114 HE ARG 21 HE ARG 21 13.392 -2.842 -2.880 115 HH11 ARG 21 HH21 ARG 21 11.052 -4.433 -4.868 116 HH12 ARG 21 HH22 ARG 21 10.845 -3.095 -5.948 117 HH21 ARG 21 HH11 ARG 21 13.086 -1.057 -4.272 118 HH22 ARG 21 HH12 ARG 21 12.000 -1.188 -5.614 119 H GLU 22 HN GLU 22 10.759 -5.758 -1.597 120 HA GLU 22 HA GLU 22 9.195 -7.147 0.411 121 HB2 GLU 22 HB2 GLU 22 8.679 -8.707 -1.466 122 HB3 GLU 22 HB1 GLU 22 8.332 -7.028 -1.885 123 HG2 GLU 22 HG2 GLU 22 10.510 -6.867 -3.037 124 HG3 GLU 22 HG1 GLU 22 10.851 -8.546 -2.635 125 H LYS 23 HN LYS 23 11.827 -7.010 1.232 126 HA LYS 23 HA LYS 23 13.687 -8.849 0.563 127 HB2 LYS 23 HB2 LYS 23 14.341 -9.113 2.894 128 HB3 LYS 23 HB1 LYS 23 14.018 -7.440 2.553 129 HG2 LYS 23 HG2 LYS 23 12.131 -9.372 3.929 130 HG3 LYS 23 HG1 LYS 23 13.107 -8.174 4.744 131 HD2 LYS 23 HD2 LYS 23 10.813 -7.577 2.840 132 HD3 LYS 23 HD1 LYS 23 10.744 -7.499 4.581 133 HE2 LYS 23 HE2 LYS 23 11.006 -5.246 3.728 134 HE3 LYS 23 HE1 LYS 23 12.483 -5.713 4.555 135 HZ1 LYS 23 HZ1 LYS 23 12.552 -6.362 1.775 136 HZ2 LYS 23 HZ2 LYS 23 13.653 -5.460 2.708 137 HZ3 LYS 23 HZ3 LYS 23 12.289 -4.711 2.033 138 HN1 NH2 24 H1 NH2 24 10.539 -9.655 1.945 139 HN2 NH2 24 H2 NH2 24 10.770 -11.338 1.909 Start of MODEL 8 1 HN1 NH2 9 H1 NH2 9 17.944 -9.547 -0.357 2 HN2 NH2 9 H2 NH2 9 18.252 -10.381 -1.804 3 H GLN 10 HN GLN 10 15.665 -6.694 -2.332 4 HA GLN 10 HA GLN 10 18.342 -6.637 -1.057 5 HB2 GLN 10 HB2 GLN 10 15.877 -8.138 -0.131 6 HB3 GLN 10 HB1 GLN 10 17.452 -8.129 0.660 7 HG2 GLN 10 HG2 GLN 10 16.045 -6.565 1.832 8 HG3 GLN 10 HG1 GLN 10 17.228 -5.640 0.919 9 HE21 GLN 10 HE21 GLN 10 14.842 -6.948 -1.177 10 HE22 GLN 10 HE22 GLN 10 13.857 -5.566 -1.289 11 H LYS 11 HN LYS 11 15.273 -2.371 -3.277 12 HA LYS 11 HA LYS 11 14.910 -4.627 -2.973 13 HB2 LYS 11 HB2 LYS 11 15.771 -6.021 -4.808 14 HB3 LYS 11 HB1 LYS 11 15.115 -4.485 -5.363 15 HG2 LYS 11 HG2 LYS 11 17.329 -3.556 -5.637 16 HG3 LYS 11 HG1 LYS 11 18.066 -4.965 -4.886 17 HD2 LYS 11 HD2 LYS 11 18.335 -5.022 -7.323 18 HD3 LYS 11 HD1 LYS 11 17.317 -6.349 -6.787 19 HE2 LYS 11 HE2 LYS 11 16.280 -3.741 -7.940 20 HE3 LYS 11 HE1 LYS 11 16.466 -5.235 -8.853 21 HZ1 LYS 11 HZ1 LYS 11 15.042 -5.890 -6.582 22 HZ2 LYS 11 HZ2 LYS 11 14.454 -5.786 -8.173 23 HZ3 LYS 11 HZ3 LYS 11 14.362 -4.439 -7.141 24 H PHE 12 HN PHE 12 15.270 -0.864 -2.568 25 HA PHE 12 HA PHE 12 17.472 -0.448 -4.392 26 HB2 PHE 12 HB2 PHE 12 19.147 -0.736 -2.509 27 HB3 PHE 12 HB1 PHE 12 18.311 0.821 -2.563 28 HD1 PHE 12 HD1 PHE 12 17.891 -2.639 -1.078 29 HD2 PHE 12 HD2 PHE 12 17.214 1.581 -0.673 30 HE1 PHE 12 HE1 PHE 12 16.782 -3.021 1.094 31 HE2 PHE 12 HE2 PHE 12 16.144 1.188 1.511 32 HZ PHE 12 HZ PHE 12 15.914 -1.096 2.400 33 H ILE 13 HN ILE 13 14.473 3.374 -3.397 34 HA ILE 13 HA ILE 13 13.923 0.867 -1.992 35 HB ILE 13 HB ILE 13 13.193 -0.264 -4.010 36 HG12 ILE 13 HG12 ILE 13 14.255 1.179 -5.694 37 HG13 ILE 13 HG11 ILE 13 12.542 0.979 -6.021 38 HG21 ILE 13 HG21 ILE 13 10.930 0.621 -4.081 39 HG22 ILE 13 HG22 ILE 13 11.485 2.166 -3.440 40 HG23 ILE 13 HG23 ILE 13 11.543 0.723 -2.430 41 HD11 ILE 13 HD11 ILE 13 14.054 3.418 -5.261 42 HD12 ILE 13 HD12 ILE 13 12.455 3.257 -4.533 43 HD13 ILE 13 HD13 ILE 13 12.634 3.246 -6.281 44 H ARG 14 HN ARG 14 11.482 5.432 -0.656 45 HA ARG 14 HA ARG 14 13.471 5.224 -2.768 46 HB2 ARG 14 HB2 ARG 14 13.716 5.138 0.229 47 HB3 ARG 14 HB1 ARG 14 15.072 4.895 -0.858 48 HG2 ARG 14 HG2 ARG 14 14.977 7.227 -0.080 49 HG3 ARG 14 HG1 ARG 14 14.719 7.131 -1.814 50 HD2 ARG 14 HD2 ARG 14 12.314 7.415 -1.504 51 HD3 ARG 14 HD1 ARG 14 12.503 7.379 0.248 52 HE ARG 14 HE ARG 14 13.037 9.610 0.092 53 HH11 ARG 14 HH21 ARG 14 13.644 8.059 -2.942 54 HH12 ARG 14 HH22 ARG 14 14.188 9.505 -3.724 55 HH21 ARG 14 HH11 ARG 14 13.740 11.506 -0.931 56 HH22 ARG 14 HH12 ARG 14 14.241 11.453 -2.589 57 H VAL 15 HN VAL 15 9.401 7.826 -3.134 58 HA VAL 15 HA VAL 15 9.328 5.593 -1.174 59 HB VAL 15 HB VAL 15 8.588 4.198 -3.060 60 HG11 VAL 15 HG11 VAL 15 6.860 6.674 -2.981 61 HG12 VAL 15 HG12 VAL 15 7.016 5.615 -1.579 62 HG13 VAL 15 HG13 VAL 15 6.354 4.989 -3.089 63 HG21 VAL 15 HG21 VAL 15 9.132 6.730 -4.588 64 HG22 VAL 15 HG22 VAL 15 7.757 5.755 -5.102 65 HG23 VAL 15 HG23 VAL 15 9.369 5.053 -5.080 66 H8 4FU 16 HAM 4FU 16 8.746 11.404 -0.220 67 H9 4FU 16 HAI 4FU 16 7.602 8.732 0.671 68 HAI 4FU 16 HAJ 4FU 16 7.300 10.305 1.443 69 H112 4FU 16 HAE 4FU 16 6.304 11.162 -0.636 70 H111 4FU 16 HAF 4FU 16 5.461 9.697 -0.078 71 HAG 4FU 16 HAG 4FU 16 6.763 8.332 -1.668 72 H12 4FU 16 HAH 4FU 16 5.889 9.632 -2.512 73 HAL 4FU 16 HAL 4FU 16 7.929 11.007 -2.522 74 HAK 4FU 16 HAK 4FU 16 8.227 9.446 -3.318 75 H14 4FU 16 HAN 4FU 16 10.072 10.033 -1.789 76 H GLY 17 HN GLY 17 8.985 8.547 1.755 77 HA2 GLY 17 HA2 GLY 17 11.817 8.937 2.354 78 HA3 GLY 17 HA1 GLY 17 10.700 9.384 3.640 79 H VAL 18 HN VAL 18 10.345 6.709 1.336 80 HA VAL 18 HA VAL 18 10.395 4.816 3.627 81 HB VAL 18 HB VAL 18 9.077 4.542 0.912 82 HG11 VAL 18 HG11 VAL 18 9.741 2.370 1.705 83 HG12 VAL 18 HG12 VAL 18 8.021 2.538 2.054 84 HG13 VAL 18 HG13 VAL 18 9.206 2.741 3.343 85 HG21 VAL 18 HG21 VAL 18 7.780 4.788 3.636 86 HG22 VAL 18 HG22 VAL 18 7.002 4.880 2.056 87 HG23 VAL 18 HG23 VAL 18 8.065 6.181 2.592 88 H THR 19 HN THR 19 12.287 3.812 3.767 89 HA THR 19 HA THR 19 13.724 3.018 1.282 90 HB THR 19 HB THR 19 15.763 3.095 2.681 91 HG1 THR 19 HG1 THR 19 15.642 3.637 4.787 92 HG21 THR 19 HG21 THR 19 14.003 5.523 2.506 93 HG22 THR 19 HG22 THR 19 15.518 5.178 1.667 94 HG23 THR 19 HG23 THR 19 15.535 5.625 3.370 95 H ILE 20 HN ILE 20 12.542 1.000 1.159 96 HA ILE 20 HA ILE 20 13.668 -1.276 2.067 97 HB ILE 20 HB ILE 20 13.202 -0.596 4.360 98 HG12 ILE 20 HG12 ILE 20 13.086 -3.002 3.851 99 HG13 ILE 20 HG11 ILE 20 12.091 -2.542 5.217 100 HG21 ILE 20 HG21 ILE 20 10.265 -0.662 3.703 101 HG22 ILE 20 HG22 ILE 20 11.215 0.821 3.739 102 HG23 ILE 20 HG23 ILE 20 11.027 -0.141 5.204 103 HD11 ILE 20 HD11 ILE 20 11.302 -3.653 2.582 104 HD12 ILE 20 HD12 ILE 20 10.239 -2.401 3.225 105 HD13 ILE 20 HD13 ILE 20 10.556 -3.853 4.158 106 H ARG 21 HN ARG 21 12.922 -2.803 0.769 107 HA ARG 21 HA ARG 21 10.146 -3.292 0.460 108 HB2 ARG 21 HB2 ARG 21 9.971 -3.036 -1.983 109 HB3 ARG 21 HB1 ARG 21 10.139 -1.513 -1.145 110 HG2 ARG 21 HG2 ARG 21 11.404 -1.502 -3.194 111 HG3 ARG 21 HG1 ARG 21 12.518 -1.471 -1.831 112 HD2 ARG 21 HD2 ARG 21 13.004 -3.786 -2.076 113 HD3 ARG 21 HD1 ARG 21 11.710 -4.013 -3.242 114 HE ARG 21 HE ARG 21 14.316 -3.112 -3.733 115 HH11 ARG 21 HH21 ARG 21 11.037 -2.708 -4.678 116 HH12 ARG 21 HH22 ARG 21 11.418 -2.087 -6.249 117 HH21 ARG 21 HH11 ARG 21 14.848 -2.306 -5.794 118 HH22 ARG 21 HH12 ARG 21 13.576 -1.859 -6.880 119 H GLU 22 HN GLU 22 9.836 -5.066 -1.323 120 HA GLU 22 HA GLU 22 10.143 -7.406 -1.248 121 HB2 GLU 22 HB2 GLU 22 12.272 -6.269 -3.078 122 HB3 GLU 22 HB1 GLU 22 11.698 -7.935 -3.118 123 HG2 GLU 22 HG2 GLU 22 9.973 -5.474 -3.557 124 HG3 GLU 22 HG1 GLU 22 10.552 -6.553 -4.822 125 H LYS 23 HN LYS 23 11.298 -6.595 1.109 126 HA LYS 23 HA LYS 23 14.016 -7.559 1.228 127 HB2 LYS 23 HB2 LYS 23 13.782 -7.127 3.683 128 HB3 LYS 23 HB1 LYS 23 13.510 -5.744 2.651 129 HG2 LYS 23 HG2 LYS 23 11.846 -5.794 4.447 130 HG3 LYS 23 HG1 LYS 23 11.079 -5.990 2.888 131 HD2 LYS 23 HD2 LYS 23 10.081 -7.453 4.586 132 HD3 LYS 23 HD1 LYS 23 10.805 -8.406 3.318 133 HE2 LYS 23 HE2 LYS 23 12.794 -8.788 4.766 134 HE3 LYS 23 HE1 LYS 23 12.052 -7.799 6.019 135 HZ1 LYS 23 HZ1 LYS 23 11.436 -9.899 6.640 136 HZ2 LYS 23 HZ2 LYS 23 11.301 -10.466 5.044 137 HZ3 LYS 23 HZ3 LYS 23 10.100 -9.455 5.694 138 HN1 NH2 24 H1 NH2 24 11.149 -9.240 1.032 139 HN2 NH2 24 H2 NH2 24 11.647 -10.660 1.818 Start of MODEL 9 1 HN1 NH2 9 H1 NH2 9 16.591 -8.580 -1.315 2 HN2 NH2 9 H2 NH2 9 17.835 -9.691 -0.999 3 H GLN 10 HN GLN 10 15.802 -6.222 -1.238 4 HA GLN 10 HA GLN 10 18.125 -5.859 0.425 5 HB2 GLN 10 HB2 GLN 10 15.837 -5.663 1.245 6 HB3 GLN 10 HB1 GLN 10 15.504 -7.317 0.765 7 HG2 GLN 10 HG2 GLN 10 15.940 -7.230 3.125 8 HG3 GLN 10 HG1 GLN 10 17.227 -8.100 2.324 9 HE21 GLN 10 HE21 GLN 10 17.544 -4.760 1.728 10 HE22 GLN 10 HE22 GLN 10 18.675 -4.410 2.944 11 H LYS 11 HN LYS 11 17.702 -3.229 -4.055 12 HA LYS 11 HA LYS 11 15.778 -5.257 -3.211 13 HB2 LYS 11 HB2 LYS 11 17.222 -6.833 -4.369 14 HB3 LYS 11 HB1 LYS 11 16.740 -5.513 -5.427 15 HG2 LYS 11 HG2 LYS 11 18.939 -4.398 -4.902 16 HG3 LYS 11 HG1 LYS 11 19.407 -5.837 -4.015 17 HD2 LYS 11 HD2 LYS 11 18.753 -5.715 -6.971 18 HD3 LYS 11 HD1 LYS 11 20.360 -5.852 -6.277 19 HE2 LYS 11 HE2 LYS 11 19.641 -8.042 -7.040 20 HE3 LYS 11 HE1 LYS 11 19.699 -8.049 -5.281 21 HZ1 LYS 11 HZ1 LYS 11 17.553 -8.690 -6.903 22 HZ2 LYS 11 HZ2 LYS 11 17.151 -7.214 -6.165 23 HZ3 LYS 11 HZ3 LYS 11 17.564 -8.559 -5.212 24 H PHE 12 HN PHE 12 14.439 -0.557 -2.491 25 HA PHE 12 HA PHE 12 16.814 -1.115 -4.203 26 HB2 PHE 12 HB2 PHE 12 18.151 -1.013 -2.164 27 HB3 PHE 12 HB1 PHE 12 17.223 0.481 -2.321 28 HD1 PHE 12 HD1 PHE 12 17.191 -2.883 -0.711 29 HD2 PHE 12 HD2 PHE 12 15.678 1.131 -0.648 30 HE1 PHE 12 HE1 PHE 12 15.989 -3.366 1.390 31 HE2 PHE 12 HE2 PHE 12 14.487 0.612 1.473 32 HZ PHE 12 HZ PHE 12 14.605 -1.603 2.460 33 H ILE 13 HN ILE 13 13.787 2.832 -4.536 34 HA ILE 13 HA ILE 13 12.610 0.287 -3.565 35 HB ILE 13 HB ILE 13 13.141 1.272 -6.391 36 HG12 ILE 13 HG12 ILE 13 10.542 0.958 -4.845 37 HG13 ILE 13 HG11 ILE 13 11.327 2.494 -5.208 38 HG21 ILE 13 HG21 ILE 13 13.225 -1.217 -6.130 39 HG22 ILE 13 HG22 ILE 13 11.846 -0.695 -7.091 40 HG23 ILE 13 HG23 ILE 13 11.616 -1.169 -5.410 41 HD11 ILE 13 HD11 ILE 13 11.113 2.013 -7.636 42 HD12 ILE 13 HD12 ILE 13 9.542 2.050 -6.838 43 HD13 ILE 13 HD13 ILE 13 10.283 0.505 -7.253 44 H ARG 14 HN ARG 14 12.360 5.071 -0.779 45 HA ARG 14 HA ARG 14 13.309 4.655 -3.412 46 HB2 ARG 14 HB2 ARG 14 14.727 5.436 -1.566 47 HB3 ARG 14 HB1 ARG 14 14.545 3.881 -0.765 48 HG2 ARG 14 HG2 ARG 14 15.618 2.753 -2.664 49 HG3 ARG 14 HG1 ARG 14 15.776 4.302 -3.498 50 HD2 ARG 14 HD2 ARG 14 17.873 3.754 -2.363 51 HD3 ARG 14 HD1 ARG 14 17.118 5.160 -1.615 52 HE ARG 14 HE ARG 14 16.258 2.855 -0.246 53 HH11 ARG 14 HH21 ARG 14 19.092 4.751 -0.835 54 HH12 ARG 14 HH22 ARG 14 19.840 4.354 0.675 55 HH21 ARG 14 HH11 ARG 14 17.231 2.333 1.739 56 HH22 ARG 14 HH12 ARG 14 18.787 2.984 2.133 57 H VAL 15 HN VAL 15 9.674 7.201 -2.451 58 HA VAL 15 HA VAL 15 10.129 5.246 -0.257 59 HB VAL 15 HB VAL 15 8.263 4.961 -2.623 60 HG11 VAL 15 HG11 VAL 15 9.227 2.824 -2.120 61 HG12 VAL 15 HG12 VAL 15 7.637 2.841 -1.358 62 HG13 VAL 15 HG13 VAL 15 9.085 3.096 -0.384 63 HG21 VAL 15 HG21 VAL 15 6.472 5.157 -1.081 64 HG22 VAL 15 HG22 VAL 15 7.576 6.447 -0.612 65 HG23 VAL 15 HG23 VAL 15 7.532 4.947 0.312 66 H8 4FU 16 HAM 4FU 16 11.860 9.633 -0.774 67 H9 4FU 16 HAI 4FU 16 11.637 12.052 -0.386 68 HAI 4FU 16 HAJ 4FU 16 10.818 11.561 -1.887 69 H112 4FU 16 HAE 4FU 16 9.410 13.111 -0.578 70 H111 4FU 16 HAF 4FU 16 9.472 11.991 0.804 71 HAG 4FU 16 HAG 4FU 16 7.386 11.688 -0.498 72 H12 4FU 16 HAH 4FU 16 8.353 11.371 -1.956 73 HAL 4FU 16 HAL 4FU 16 7.615 9.269 -0.938 74 HAK 4FU 16 HAK 4FU 16 8.365 9.716 0.606 75 H14 4FU 16 HAN 4FU 16 9.786 9.316 -2.054 76 H GLY 17 HN GLY 17 12.879 9.535 1.142 77 HA2 GLY 17 HA2 GLY 17 13.183 9.989 3.456 78 HA3 GLY 17 HA1 GLY 17 11.438 10.092 3.661 79 H VAL 18 HN VAL 18 10.265 7.963 3.128 80 HA VAL 18 HA VAL 18 11.505 5.857 4.694 81 HB VAL 18 HB VAL 18 9.282 4.831 4.528 82 HG11 VAL 18 HG11 VAL 18 9.291 7.780 5.203 83 HG12 VAL 18 HG12 VAL 18 9.638 6.449 6.307 84 HG13 VAL 18 HG13 VAL 18 8.008 6.661 5.666 85 HG21 VAL 18 HG21 VAL 18 7.463 6.111 3.388 86 HG22 VAL 18 HG22 VAL 18 8.681 5.510 2.265 87 HG23 VAL 18 HG23 VAL 18 8.687 7.206 2.745 88 H THR 19 HN THR 19 11.114 3.547 3.815 89 HA THR 19 HA THR 19 11.059 3.224 0.972 90 HB THR 19 HB THR 19 13.304 4.114 1.188 91 HG1 THR 19 HG1 THR 19 12.663 1.679 0.259 92 HG21 THR 19 HG21 THR 19 13.629 1.895 3.214 93 HG22 THR 19 HG22 THR 19 13.905 3.622 3.431 94 HG23 THR 19 HG23 THR 19 15.006 2.674 2.435 95 H ILE 20 HN ILE 20 11.822 0.758 0.461 96 HA ILE 20 HA ILE 20 10.854 -0.948 2.684 97 HB ILE 20 HB ILE 20 9.940 -1.077 -0.197 98 HG12 ILE 20 HG12 ILE 20 8.879 0.768 1.059 99 HG13 ILE 20 HG11 ILE 20 7.720 -0.497 0.677 100 HG21 ILE 20 HG21 ILE 20 8.315 -2.798 0.859 101 HG22 ILE 20 HG22 ILE 20 9.484 -2.874 2.176 102 HG23 ILE 20 HG23 ILE 20 9.972 -3.301 0.538 103 HD11 ILE 20 HD11 ILE 20 7.161 -0.398 2.866 104 HD12 ILE 20 HD12 ILE 20 8.625 0.469 3.297 105 HD13 ILE 20 HD13 ILE 20 8.646 -1.286 3.178 106 H ARG 21 HN ARG 21 11.392 -3.121 2.680 107 HA ARG 21 HA ARG 21 13.784 -3.779 1.089 108 HB2 ARG 21 HB2 ARG 21 14.386 -5.332 2.921 109 HB3 ARG 21 HB1 ARG 21 14.285 -3.671 3.458 110 HG2 ARG 21 HG2 ARG 21 13.276 -5.132 5.119 111 HG3 ARG 21 HG1 ARG 21 12.016 -4.153 4.380 112 HD2 ARG 21 HD2 ARG 21 11.392 -6.545 4.657 113 HD3 ARG 21 HD1 ARG 21 11.298 -6.034 2.999 114 HE ARG 21 HE ARG 21 13.021 -7.568 2.519 115 HH11 ARG 21 HH21 ARG 21 12.945 -6.729 5.890 116 HH12 ARG 21 HH22 ARG 21 14.154 -7.880 6.348 117 HH21 ARG 21 HH11 ARG 21 14.581 -9.113 3.141 118 HH22 ARG 21 HH12 ARG 21 15.073 -9.231 4.797 119 H GLU 22 HN GLU 22 14.073 -6.350 1.159 120 HA GLU 22 HA GLU 22 13.402 -8.387 0.316 121 HB2 GLU 22 HB2 GLU 22 11.466 -8.260 1.934 122 HB3 GLU 22 HB1 GLU 22 10.540 -7.417 0.710 123 HG2 GLU 22 HG2 GLU 22 11.676 -10.206 0.401 124 HG3 GLU 22 HG1 GLU 22 10.008 -9.837 0.812 125 H LYS 23 HN LYS 23 11.843 -5.475 -0.780 126 HA LYS 23 HA LYS 23 10.710 -5.198 -2.874 127 HB2 LYS 23 HB2 LYS 23 12.605 -3.723 -2.230 128 HB3 LYS 23 HB1 LYS 23 13.660 -4.747 -3.155 129 HG2 LYS 23 HG2 LYS 23 11.327 -3.192 -4.253 130 HG3 LYS 23 HG1 LYS 23 12.998 -2.705 -4.370 131 HD2 LYS 23 HD2 LYS 23 11.728 -5.098 -5.758 132 HD3 LYS 23 HD1 LYS 23 12.221 -3.602 -6.497 133 HE2 LYS 23 HE2 LYS 23 14.136 -5.551 -5.180 134 HE3 LYS 23 HE1 LYS 23 13.892 -5.362 -6.904 135 HZ1 LYS 23 HZ1 LYS 23 15.676 -4.009 -6.530 136 HZ2 LYS 23 HZ2 LYS 23 15.142 -3.516 -4.994 137 HZ3 LYS 23 HZ3 LYS 23 14.404 -2.896 -6.394 138 HN1 NH2 24 H1 NH2 24 9.932 -6.592 -4.433 139 HN2 NH2 24 H2 NH2 24 10.873 -7.714 -5.292 Start of MODEL 10 1 HN1 NH2 9 H1 NH2 9 21.269 -6.747 1.052 2 HN2 NH2 9 H2 NH2 9 20.929 -8.232 0.302 3 H GLN 10 HN GLN 10 18.322 -5.322 -1.784 4 HA GLN 10 HA GLN 10 20.354 -4.707 -0.037 5 HB2 GLN 10 HB2 GLN 10 19.410 -5.571 2.150 6 HB3 GLN 10 HB1 GLN 10 18.837 -3.981 1.674 7 HG2 GLN 10 HG2 GLN 10 16.975 -5.372 2.469 8 HG3 GLN 10 HG1 GLN 10 16.789 -4.989 0.772 9 HE21 GLN 10 HE21 GLN 10 16.046 -6.820 -0.396 10 HE22 GLN 10 HE22 GLN 10 16.503 -8.417 -0.050 11 H LYS 11 HN LYS 11 17.339 -1.156 -1.564 12 HA LYS 11 HA LYS 11 16.115 -3.623 -1.981 13 HB2 LYS 11 HB2 LYS 11 17.752 -4.819 -3.347 14 HB3 LYS 11 HB1 LYS 11 17.052 -3.499 -4.269 15 HG2 LYS 11 HG2 LYS 11 19.011 -2.097 -3.798 16 HG3 LYS 11 HG1 LYS 11 19.724 -3.393 -2.835 17 HD2 LYS 11 HD2 LYS 11 19.694 -4.873 -4.802 18 HD3 LYS 11 HD1 LYS 11 19.020 -3.561 -5.769 19 HE2 LYS 11 HE2 LYS 11 21.011 -2.195 -5.339 20 HE3 LYS 11 HE1 LYS 11 21.685 -3.479 -4.330 21 HZ1 LYS 11 HZ1 LYS 11 22.631 -3.886 -6.371 22 HZ2 LYS 11 HZ2 LYS 11 21.233 -3.451 -7.235 23 HZ3 LYS 11 HZ3 LYS 11 21.288 -4.923 -6.385 24 H PHE 12 HN PHE 12 14.026 0.898 -2.500 25 HA PHE 12 HA PHE 12 16.617 0.816 -3.793 26 HB2 PHE 12 HB2 PHE 12 17.439 0.533 -1.482 27 HB3 PHE 12 HB1 PHE 12 16.350 1.901 -1.620 28 HD1 PHE 12 HD2 PHE 12 14.091 -0.800 -1.851 29 HD2 PHE 12 HD1 PHE 12 16.694 1.103 1.019 30 HE1 PHE 12 HE2 PHE 12 12.717 -1.623 -0.064 31 HE2 PHE 12 HE1 PHE 12 15.248 0.225 2.834 32 HZ PHE 12 HZ PHE 12 13.233 -1.120 2.275 33 H ILE 13 HN ILE 13 12.559 3.057 -5.359 34 HA ILE 13 HA ILE 13 12.130 0.736 -3.587 35 HB ILE 13 HB ILE 13 10.808 0.637 -5.640 36 HG12 ILE 13 HG12 ILE 13 11.602 -1.557 -6.463 37 HG13 ILE 13 HG11 ILE 13 13.151 -1.304 -5.672 38 HG21 ILE 13 HG21 ILE 13 12.731 1.993 -6.927 39 HG22 ILE 13 HG22 ILE 13 11.654 0.905 -7.791 40 HG23 ILE 13 HG23 ILE 13 13.272 0.371 -7.349 41 HD11 ILE 13 HD11 ILE 13 11.265 -2.707 -4.472 42 HD12 ILE 13 HD12 ILE 13 10.634 -1.120 -4.033 43 HD13 ILE 13 HD13 ILE 13 12.260 -1.593 -3.537 44 H ARG 14 HN ARG 14 11.169 5.904 -2.041 45 HA ARG 14 HA ARG 14 10.506 4.869 -3.961 46 HB2 ARG 14 HB2 ARG 14 13.397 4.985 -4.838 47 HB3 ARG 14 HB1 ARG 14 12.016 4.622 -5.847 48 HG2 ARG 14 HG2 ARG 14 12.508 7.264 -4.460 49 HG3 ARG 14 HG1 ARG 14 12.775 6.944 -6.161 50 HD2 ARG 14 HD2 ARG 14 10.094 6.859 -4.736 51 HD3 ARG 14 HD1 ARG 14 10.648 8.091 -5.848 52 HE ARG 14 HE ARG 14 10.824 5.632 -7.177 53 HH11 ARG 14 HH21 ARG 14 8.473 7.761 -5.797 54 HH12 ARG 14 HH22 ARG 14 7.216 7.314 -6.901 55 HH21 ARG 14 HH11 ARG 14 9.181 5.039 -8.630 56 HH22 ARG 14 HH12 ARG 14 7.617 5.772 -8.504 57 H VAL 15 HN VAL 15 15.392 6.244 -1.024 58 HA VAL 15 HA VAL 15 12.719 6.170 -0.109 59 HB VAL 15 HB VAL 15 12.877 8.611 -0.209 60 HG11 VAL 15 HG11 VAL 15 14.490 9.260 -1.730 61 HG12 VAL 15 HG12 VAL 15 13.056 9.507 -2.722 62 HG13 VAL 15 HG13 VAL 15 14.026 8.051 -2.920 63 HG21 VAL 15 HG21 VAL 15 11.249 7.817 -2.614 64 HG22 VAL 15 HG22 VAL 15 10.875 8.994 -1.363 65 HG23 VAL 15 HG23 VAL 15 10.793 7.273 -1.000 66 H8 4FU 16 HAM 4FU 16 16.556 5.214 1.703 67 H9 4FU 16 HAI 4FU 16 18.495 5.474 3.202 68 HAI 4FU 16 HAJ 4FU 16 18.881 5.969 1.539 69 H112 4FU 16 HAE 4FU 16 19.787 7.592 3.137 70 H111 4FU 16 HAF 4FU 16 18.170 7.831 3.835 71 HAG 4FU 16 HAG 4FU 16 18.701 9.624 2.224 72 H12 4FU 16 HAH 4FU 16 18.998 8.403 0.965 73 HAL 4FU 16 HAL 4FU 16 16.739 9.370 0.760 74 HAK 4FU 16 HAK 4FU 16 16.358 8.858 2.420 75 H14 4FU 16 HAN 4FU 16 17.124 7.017 0.122 76 H GLY 17 HN GLY 17 14.314 6.155 2.336 77 HA2 GLY 17 HA2 GLY 17 14.214 6.270 5.243 78 HA3 GLY 17 HA1 GLY 17 13.596 7.703 4.418 79 H VAL 18 HN VAL 18 12.072 7.117 2.502 80 HA VAL 18 HA VAL 18 10.065 5.201 3.530 81 HB VAL 18 HB VAL 18 9.820 7.372 1.427 82 HG11 VAL 18 HG11 VAL 18 7.340 6.912 1.854 83 HG12 VAL 18 HG12 VAL 18 7.855 5.433 2.666 84 HG13 VAL 18 HG13 VAL 18 8.212 5.670 0.955 85 HG21 VAL 18 HG21 VAL 18 10.172 8.205 3.755 86 HG22 VAL 18 HG22 VAL 18 8.781 7.256 4.277 87 HG23 VAL 18 HG23 VAL 18 8.564 8.586 3.141 88 H THR 19 HN THR 19 10.947 3.282 2.798 89 HA THR 19 HA THR 19 10.881 2.869 -0.134 90 HB THR 19 HB THR 19 12.861 1.436 0.064 91 HG1 THR 19 HG1 THR 19 13.492 2.410 2.560 92 HG21 THR 19 HG21 THR 19 14.522 3.236 0.575 93 HG22 THR 19 HG22 THR 19 13.195 4.233 1.171 94 HG23 THR 19 HG23 THR 19 13.246 3.753 -0.525 95 H ILE 20 HN ILE 20 10.742 0.517 -0.682 96 HA ILE 20 HA ILE 20 9.630 -1.202 1.391 97 HB ILE 20 HB ILE 20 7.633 -1.697 0.090 98 HG12 ILE 20 HG12 ILE 20 8.424 -1.086 -2.149 99 HG13 ILE 20 HG11 ILE 20 6.925 -0.252 -1.767 100 HG21 ILE 20 HG21 ILE 20 7.635 0.027 1.899 101 HG22 ILE 20 HG22 ILE 20 6.373 0.266 0.691 102 HG23 ILE 20 HG23 ILE 20 7.829 1.260 0.652 103 HD11 ILE 20 HD11 ILE 20 9.673 0.850 -2.119 104 HD12 ILE 20 HD12 ILE 20 8.643 1.640 -0.926 105 HD13 ILE 20 HD13 ILE 20 8.123 1.524 -2.601 106 H ARG 21 HN ARG 21 9.555 -3.425 0.816 107 HA ARG 21 HA ARG 21 10.172 -4.438 -1.727 108 HB2 ARG 21 HB2 ARG 21 12.396 -5.235 -1.409 109 HB3 ARG 21 HB1 ARG 21 12.383 -3.485 -1.434 110 HG2 ARG 21 HG2 ARG 21 12.409 -3.494 1.056 111 HG3 ARG 21 HG1 ARG 21 12.491 -5.234 1.037 112 HD2 ARG 21 HD2 ARG 21 14.567 -3.411 -0.183 113 HD3 ARG 21 HD1 ARG 21 14.706 -4.199 1.379 114 HE ARG 21 HE ARG 21 15.310 -6.133 0.286 115 HH11 ARG 21 HH21 ARG 21 13.995 -3.959 -2.093 116 HH12 ARG 21 HH22 ARG 21 14.168 -5.091 -3.392 117 HH21 ARG 21 HH11 ARG 21 15.536 -7.577 -1.413 118 HH22 ARG 21 HH12 ARG 21 15.039 -7.125 -3.009 119 H GLU 22 HN GLU 22 11.542 -6.716 -1.296 120 HA GLU 22 HA GLU 22 9.711 -8.211 0.463 121 HB2 GLU 22 HB2 GLU 22 11.679 -9.198 -1.617 122 HB3 GLU 22 HB1 GLU 22 10.512 -10.195 -0.755 123 HG2 GLU 22 HG2 GLU 22 9.826 -7.916 -2.640 124 HG3 GLU 22 HG1 GLU 22 9.736 -9.625 -3.040 125 H LYS 23 HN LYS 23 12.714 -6.831 0.509 126 HA LYS 23 HA LYS 23 14.728 -7.308 1.570 127 HB2 LYS 23 HB2 LYS 23 14.441 -7.201 3.951 128 HB3 LYS 23 HB1 LYS 23 13.445 -6.003 3.135 129 HG2 LYS 23 HG2 LYS 23 11.491 -7.536 3.332 130 HG3 LYS 23 HG1 LYS 23 12.497 -8.673 4.226 131 HD2 LYS 23 HD2 LYS 23 11.874 -5.825 5.057 132 HD3 LYS 23 HD1 LYS 23 11.137 -7.270 5.739 133 HE2 LYS 23 HE2 LYS 23 13.378 -8.028 6.503 134 HE3 LYS 23 HE1 LYS 23 14.076 -6.539 5.874 135 HZ1 LYS 23 HZ1 LYS 23 11.827 -6.431 7.733 136 HZ2 LYS 23 HZ2 LYS 23 13.000 -5.254 7.381 137 HZ3 LYS 23 HZ3 LYS 23 13.413 -6.619 8.305 138 HN1 NH2 24 H1 NH2 24 13.717 -9.830 0.440 139 HN2 NH2 24 H2 NH2 24 14.232 -11.062 1.488
Contact the webmaster for help, if required. Saturday, June 1, 2024 12:41:54 AM GMT (wattos1)