NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
651634 | 7bw5 | 36343 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 2.106 -2.296 -2.186 2 HA2 GLY 1 HA2 GLY 1 3.037 -2.053 -0.398 3 HA3 GLY 1 HA1 GLY 1 1.510 -1.186 -0.409 4 HA PRO 2 HA PRO 2 1.634 -4.262 3.151 5 HB2 PRO 2 HB2 PRO 2 2.989 -2.959 5.102 6 HB3 PRO 2 HB1 PRO 2 3.772 -4.017 3.926 7 HG2 PRO 2 HG2 PRO 2 3.814 -1.079 4.128 8 HG3 PRO 2 HG1 PRO 2 4.969 -2.171 3.351 9 HD2 PRO 2 HD2 PRO 2 2.924 -0.614 2.110 10 HD3 PRO 2 HD1 PRO 2 4.029 -1.767 1.340 11 H LYS 3 HN LYS 3 2.000 -1.174 4.803 12 HA LYS 3 HA LYS 3 -0.746 -1.391 5.735 13 HB2 LYS 3 HB2 LYS 3 1.638 -0.557 6.919 14 HB3 LYS 3 HB1 LYS 3 0.715 0.923 6.706 15 HG2 LYS 3 HG2 LYS 3 -1.081 0.102 8.008 16 HG3 LYS 3 HG1 LYS 3 -0.426 -1.537 7.999 17 HD2 LYS 3 HD2 LYS 3 1.647 -0.303 9.109 18 HD3 LYS 3 HD1 LYS 3 0.387 0.832 9.597 19 HE2 LYS 3 HE2 LYS 3 -0.732 -1.623 10.150 20 HE3 LYS 3 HE1 LYS 3 0.966 -1.856 10.565 21 HZ1 LYS 3 HZ1 LYS 3 0.627 0.412 11.771 22 HZ2 LYS 3 HZ2 LYS 3 0.136 -1.027 12.511 23 HZ3 LYS 3 HZ3 LYS 3 -1.005 -0.036 11.754 24 H GLY 4 HN GLY 4 -2.038 -0.729 4.050 25 HA2 GLY 4 HA2 GLY 4 -2.197 2.123 3.641 26 HA3 GLY 4 HA1 GLY 4 -1.703 1.237 2.207 27 H ASP 5 HN ASP 5 -3.746 2.296 1.433 28 HA ASP 5 HA ASP 5 -6.131 0.772 2.230 29 HB2 ASP 5 HB2 ASP 5 -5.685 3.536 1.282 30 HB3 ASP 5 HB1 ASP 5 -7.119 2.736 0.646 31 H PHE 6 HN PHE 6 -3.793 0.854 -0.151 32 HA PHE 6 HA PHE 6 -5.630 -0.216 -2.186 33 HB2 PHE 6 HB2 PHE 6 -2.887 1.024 -2.449 34 HB3 PHE 6 HB1 PHE 6 -3.719 0.218 -3.775 35 HD1 PHE 6 HD1 PHE 6 -4.752 1.605 -5.268 36 HD2 PHE 6 HD2 PHE 6 -4.529 2.788 -1.186 37 HE1 PHE 6 HE1 PHE 6 -5.911 3.704 -5.818 38 HE2 PHE 6 HE2 PHE 6 -5.689 4.889 -1.728 39 HZ PHE 6 HZ PHE 6 -6.382 5.349 -4.046 40 HA PRO 7 HA PRO 7 -3.822 -4.084 -0.423 41 HB2 PRO 7 HB2 PRO 7 -5.674 -4.958 -2.608 42 HB3 PRO 7 HB1 PRO 7 -5.419 -5.660 -1.006 43 HG2 PRO 7 HG2 PRO 7 -7.542 -4.125 -1.499 44 HG3 PRO 7 HG1 PRO 7 -6.692 -4.042 0.054 45 HD2 PRO 7 HD2 PRO 7 -6.716 -2.107 -2.192 46 HD3 PRO 7 HD1 PRO 7 -6.457 -1.827 -0.460 47 H ASP 8 HN ASP 8 -1.861 -4.675 -1.088 48 HA ASP 8 HA ASP 8 -1.434 -5.220 -3.933 49 HB2 ASP 8 HB2 ASP 8 0.929 -4.193 -3.569 50 HB3 ASP 8 HB1 ASP 8 -0.431 -3.122 -3.886 51 H VAL 9 HN VAL 9 0.246 -5.306 -0.781 52 HA VAL 9 HA VAL 9 0.741 -8.157 -1.176 53 HB VAL 9 HB VAL 9 3.007 -6.322 -0.408 54 HG11 VAL 9 HG11 VAL 9 3.596 -8.928 -1.578 55 HG12 VAL 9 HG12 VAL 9 2.694 -9.027 -0.066 56 HG13 VAL 9 HG13 VAL 9 4.233 -8.169 -0.119 57 HG21 VAL 9 HG21 VAL 9 3.829 -7.041 -2.777 58 HG22 VAL 9 HG22 VAL 9 2.721 -5.679 -2.605 59 HG23 VAL 9 HG23 VAL 9 2.108 -7.257 -3.099 60 H GLY 10 HN GLY 1 -0.970 -6.630 0.605 61 HA2 GLY 10 HA2 GLY 1 -0.658 -8.014 2.972 62 HA3 GLY 10 HA1 GLY 1 0.213 -6.505 3.198 63 H ASP 11 HN ASP 1 -0.898 -4.684 3.669 64 HA ASP 11 HA ASP 1 -3.793 -4.976 4.003 65 HB2 ASP 11 HB2 ASP 1 -1.955 -4.072 5.766 66 HB3 ASP 11 HB1 ASP 1 -2.428 -2.550 5.017 67 H GLY 12 HN GLY 1 -1.368 -2.999 2.404 68 HA2 GLY 12 HA2 GLY 1 -2.750 -2.297 0.194 69 HA3 GLY 12 HA1 GLY 1 -3.320 -1.129 1.375 70 H ARG 13 HN ARG 1 -2.148 -0.095 -0.764 71 HA ARG 13 HA ARG 1 0.578 0.596 0.118 72 HB2 ARG 13 HB2 ARG 1 0.135 -0.595 -2.177 73 HB3 ARG 13 HB1 ARG 1 -0.351 1.012 -2.699 74 HG2 ARG 13 HG2 ARG 1 1.810 1.899 -2.244 75 HG3 ARG 13 HG1 ARG 1 2.312 0.413 -1.437 76 HD2 ARG 13 HD2 ARG 1 3.157 0.738 -3.797 77 HD3 ARG 13 HD1 ARG 1 2.349 -0.794 -3.465 78 HE ARG 13 HE ARG 1 0.603 1.237 -4.513 79 HH11 ARG 13 HH11 ARG 1 2.840 -1.316 -5.328 80 HH12 ARG 13 HH12 ARG 1 2.164 -1.576 -6.901 81 HH21 ARG 13 HH21 ARG 1 -0.287 0.896 -6.581 82 HH22 ARG 13 HH22 ARG 1 0.389 -0.321 -7.613 83 H ILE 14 HN ILE 1 1.270 2.819 -0.563 84 HA ILE 14 HA ILE 1 -0.982 4.702 -0.280 85 HB ILE 14 HB ILE 1 0.619 6.262 0.775 86 HG12 ILE 14 HG12 ILE 1 2.495 3.887 0.703 87 HG13 ILE 14 HG11 ILE 1 2.681 5.373 -0.224 88 HG21 ILE 14 HG21 ILE 1 0.203 5.431 2.832 89 HG22 ILE 14 HG22 ILE 1 0.893 3.853 2.453 90 HG23 ILE 14 HG23 ILE 1 -0.743 4.250 1.926 91 HD11 ILE 14 HD11 ILE 1 2.904 5.007 2.746 92 HD12 ILE 14 HD12 ILE 1 2.792 6.590 1.975 93 HD13 ILE 14 HD13 ILE 1 4.150 5.525 1.610 94 H LEU 15 HN LEU 1 2.113 4.082 -1.846 95 HA LEU 15 HA LEU 1 1.460 6.183 -3.807 96 HB2 LEU 15 HB2 LEU 1 3.373 6.861 -2.474 97 HB3 LEU 15 HB1 LEU 1 4.177 5.337 -2.802 98 HG LEU 15 HG LEU 1 4.259 5.954 -5.216 99 HD11 LEU 15 HD11 LEU 1 2.889 8.375 -4.151 100 HD12 LEU 15 HD12 LEU 1 2.611 7.487 -5.650 101 HD13 LEU 15 HD13 LEU 1 4.012 8.548 -5.500 102 HD21 LEU 15 HD21 LEU 1 6.004 7.725 -4.920 103 HD22 LEU 15 HD22 LEU 1 6.222 6.296 -3.909 104 HD23 LEU 15 HD23 LEU 1 5.571 7.779 -3.211 105 H ALA 16 HN ALA 1 1.757 5.711 -5.966 106 HA ALA 16 HA ALA 1 2.762 3.052 -6.669 107 HB1 ALA 16 HB1 ALA 1 0.351 2.790 -6.429 108 HB2 ALA 16 HB2 ALA 1 0.837 2.620 -8.116 109 HB3 ALA 16 HB3 ALA 1 0.084 4.115 -7.561 110 H GLY 17 HN GLY 1 4.266 5.221 -7.069 111 HA2 GLY 17 HA2 GLY 1 3.819 6.602 -9.504 112 HA3 GLY 17 HA1 GLY 1 5.351 6.487 -8.651 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 -0.245 -2.304 -1.893 2 HA2 GLY 1 HA2 GLY 1 2.281 -2.856 -1.169 3 HA3 GLY 1 HA1 GLY 1 1.252 -1.456 -0.913 4 HA PRO 2 HA PRO 2 1.704 -4.015 3.028 5 HB2 PRO 2 HB2 PRO 2 3.291 -2.344 4.457 6 HB3 PRO 2 HB1 PRO 2 3.930 -3.611 3.405 7 HG2 PRO 2 HG2 PRO 2 3.683 -0.678 2.903 8 HG3 PRO 2 HG1 PRO 2 4.989 -1.788 2.458 9 HD2 PRO 2 HD2 PRO 2 3.054 -0.926 0.719 10 HD3 PRO 2 HD1 PRO 2 3.930 -2.460 0.547 11 H LYS 3 HN LYS 3 2.244 -0.731 4.118 12 HA LYS 3 HA LYS 3 -0.399 -0.735 5.330 13 HB2 LYS 3 HB2 LYS 3 1.994 0.019 6.319 14 HB3 LYS 3 HB1 LYS 3 1.416 1.570 5.729 15 HG2 LYS 3 HG2 LYS 3 -0.316 1.653 7.228 16 HG3 LYS 3 HG1 LYS 3 -0.394 -0.101 7.401 17 HD2 LYS 3 HD2 LYS 3 2.107 1.203 8.289 18 HD3 LYS 3 HD1 LYS 3 0.667 1.518 9.260 19 HE2 LYS 3 HE2 LYS 3 1.415 -1.273 8.463 20 HE3 LYS 3 HE1 LYS 3 2.155 -0.501 9.865 21 HZ1 LYS 3 HZ1 LYS 3 -0.037 -1.908 10.069 22 HZ2 LYS 3 HZ2 LYS 3 -0.763 -0.439 9.649 23 HZ3 LYS 3 HZ3 LYS 3 0.216 -0.535 11.025 24 H GLY 4 HN GLY 4 -1.659 -0.391 3.429 25 HA2 GLY 4 HA2 GLY 4 -1.874 2.436 2.760 26 HA3 GLY 4 HA1 GLY 4 -1.511 1.358 1.422 27 H ASP 5 HN ASP 5 -3.551 2.232 0.573 28 HA ASP 5 HA ASP 5 -5.915 0.975 1.794 29 HB2 ASP 5 HB2 ASP 5 -7.223 2.622 0.442 30 HB3 ASP 5 HB1 ASP 5 -6.166 3.362 1.640 31 H PHE 6 HN PHE 6 -3.759 0.601 -0.736 32 HA PHE 6 HA PHE 6 -5.765 -0.766 -2.404 33 HB2 PHE 6 HB2 PHE 6 -3.046 0.338 -3.141 34 HB3 PHE 6 HB1 PHE 6 -4.072 -0.589 -4.231 35 HD1 PHE 6 HD1 PHE 6 -6.711 0.482 -3.798 36 HD2 PHE 6 HD2 PHE 6 -2.967 2.503 -3.910 37 HE1 PHE 6 HE1 PHE 6 -7.852 2.551 -4.486 38 HE2 PHE 6 HE2 PHE 6 -4.101 4.575 -4.597 39 HZ PHE 6 HZ PHE 6 -6.547 4.601 -4.886 40 HA PRO 7 HA PRO 7 -3.656 -4.224 -0.126 41 HB2 PRO 7 HB2 PRO 7 -5.854 -5.487 -1.717 42 HB3 PRO 7 HB1 PRO 7 -5.316 -5.838 -0.070 43 HG2 PRO 7 HG2 PRO 7 -7.509 -4.385 -0.512 44 HG3 PRO 7 HG1 PRO 7 -6.407 -4.003 0.823 45 HD2 PRO 7 HD2 PRO 7 -6.835 -2.577 -1.740 46 HD3 PRO 7 HD1 PRO 7 -6.280 -1.951 -0.175 47 H ASP 8 HN ASP 8 -1.758 -4.644 -1.107 48 HA ASP 8 HA ASP 8 -1.859 -5.988 -3.716 49 HB2 ASP 8 HB2 ASP 8 -0.004 -4.768 -4.563 50 HB3 ASP 8 HB1 ASP 8 -1.109 -3.569 -3.900 51 H VAL 9 HN VAL 9 0.104 -5.300 -0.839 52 HA VAL 9 HA VAL 9 0.906 -8.095 -0.744 53 HB VAL 9 HB VAL 9 2.980 -5.896 -0.733 54 HG11 VAL 9 HG11 VAL 9 4.021 -7.451 0.538 55 HG12 VAL 9 HG12 VAL 9 4.366 -8.177 -1.032 56 HG13 VAL 9 HG13 VAL 9 3.018 -8.772 -0.062 57 HG21 VAL 9 HG21 VAL 9 2.425 -7.998 -2.825 58 HG22 VAL 9 HG22 VAL 9 3.751 -6.837 -2.848 59 HG23 VAL 9 HG23 VAL 9 2.085 -6.275 -2.979 60 H GLY 10 HN GLY 1 -0.839 -7.125 0.972 61 HA2 GLY 10 HA2 GLY 1 -0.191 -7.703 3.456 62 HA3 GLY 10 HA1 GLY 1 0.568 -6.122 3.334 63 H ASP 11 HN ASP 1 -0.644 -4.332 3.622 64 HA ASP 11 HA ASP 1 -3.496 -4.751 4.177 65 HB2 ASP 11 HB2 ASP 1 -1.684 -3.610 5.785 66 HB3 ASP 11 HB1 ASP 1 -2.162 -2.183 4.870 67 H GLY 12 HN GLY 1 -1.246 -2.894 2.238 68 HA2 GLY 12 HA2 GLY 1 -2.704 -2.481 0.032 69 HA3 GLY 12 HA1 GLY 1 -3.348 -1.244 1.100 70 H ARG 13 HN ARG 1 -2.192 -0.507 -1.250 71 HA ARG 13 HA ARG 1 0.530 0.358 -0.611 72 HB2 ARG 13 HB2 ARG 1 -0.515 -0.632 -2.924 73 HB3 ARG 13 HB1 ARG 1 -0.630 1.097 -3.218 74 HG2 ARG 13 HG2 ARG 1 1.740 1.360 -2.851 75 HG3 ARG 13 HG1 ARG 1 1.889 -0.345 -2.420 76 HD2 ARG 13 HD2 ARG 1 0.733 0.420 -5.064 77 HD3 ARG 13 HD1 ARG 1 2.480 0.462 -4.834 78 HE ARG 13 HE ARG 1 1.848 -1.988 -3.938 79 HH11 ARG 13 HH11 ARG 1 1.016 -0.294 -6.875 80 HH12 ARG 13 HH12 ARG 1 0.891 -1.740 -7.820 81 HH21 ARG 13 HH21 ARG 1 1.683 -3.889 -5.181 82 HH22 ARG 13 HH22 ARG 1 1.268 -3.780 -6.859 83 H ILE 14 HN ILE 1 1.125 2.483 -0.453 84 HA ILE 14 HA ILE 1 -1.082 4.436 -0.377 85 HB ILE 14 HB ILE 1 0.729 5.718 1.079 86 HG12 ILE 14 HG12 ILE 1 1.862 4.074 2.599 87 HG13 ILE 14 HG11 ILE 1 1.396 2.795 1.482 88 HG21 ILE 14 HG21 ILE 1 -0.381 3.980 2.964 89 HG22 ILE 14 HG22 ILE 1 -1.536 4.036 1.632 90 HG23 ILE 14 HG23 ILE 1 -1.026 5.528 2.421 91 HD11 ILE 14 HD11 ILE 1 2.784 5.013 0.200 92 HD12 ILE 14 HD12 ILE 1 3.053 3.275 0.074 93 HD13 ILE 14 HD13 ILE 1 3.742 4.179 1.422 94 H LEU 15 HN LEU 1 2.088 3.722 -1.610 95 HA LEU 15 HA LEU 1 1.988 6.211 -3.175 96 HB2 LEU 15 HB2 LEU 1 4.073 5.255 -1.378 97 HB3 LEU 15 HB1 LEU 1 4.682 5.572 -2.991 98 HG LEU 15 HG LEU 1 4.997 7.551 -1.706 99 HD11 LEU 15 HD11 LEU 1 3.930 7.639 -4.078 100 HD12 LEU 15 HD12 LEU 1 4.046 9.109 -3.110 101 HD13 LEU 15 HD13 LEU 1 2.515 8.239 -3.213 102 HD21 LEU 15 HD21 LEU 1 2.603 8.588 -0.949 103 HD22 LEU 15 HD22 LEU 1 3.694 7.702 0.116 104 HD23 LEU 15 HD23 LEU 1 2.344 6.869 -0.654 105 H ALA 16 HN ALA 1 0.990 4.914 -4.821 106 HA ALA 16 HA ALA 1 2.649 2.840 -6.036 107 HB1 ALA 16 HB1 ALA 1 0.759 1.961 -6.895 108 HB2 ALA 16 HB2 ALA 1 0.075 3.539 -7.287 109 HB3 ALA 16 HB3 ALA 1 -0.016 2.923 -5.637 110 H GLY 17 HN GLY 1 3.825 5.297 -6.258 111 HA2 GLY 17 HA2 GLY 1 4.032 5.564 -9.107 112 HA3 GLY 17 HA1 GLY 1 3.252 6.952 -8.363 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 -0.587 -2.691 -1.285 2 HA2 GLY 1 HA2 GLY 1 2.289 -2.718 -0.623 3 HA3 GLY 1 HA1 GLY 1 1.232 -1.356 -0.288 4 HA PRO 2 HA PRO 2 1.382 -4.368 3.346 5 HB2 PRO 2 HB2 PRO 2 2.895 -2.926 5.068 6 HB3 PRO 2 HB1 PRO 2 3.585 -4.064 3.908 7 HG2 PRO 2 HG2 PRO 2 3.414 -1.087 3.767 8 HG3 PRO 2 HG1 PRO 2 4.731 -2.161 3.269 9 HD2 PRO 2 HD2 PRO 2 2.920 -1.044 1.538 10 HD3 PRO 2 HD1 PRO 2 3.795 -2.554 1.222 11 H LYS 3 HN LYS 3 1.899 -1.264 4.882 12 HA LYS 3 HA LYS 3 -0.827 -1.352 5.886 13 HB2 LYS 3 HB2 LYS 3 1.578 -0.701 7.058 14 HB3 LYS 3 HB1 LYS 3 0.854 0.876 6.775 15 HG2 LYS 3 HG2 LYS 3 -1.257 -0.289 7.848 16 HG3 LYS 3 HG1 LYS 3 -0.020 -1.323 8.566 17 HD2 LYS 3 HD2 LYS 3 0.084 0.262 10.154 18 HD3 LYS 3 HD1 LYS 3 1.038 1.156 8.968 19 HE2 LYS 3 HE2 LYS 3 -0.602 2.652 8.591 20 HE3 LYS 3 HE1 LYS 3 -1.872 1.432 8.679 21 HZ1 LYS 3 HZ1 LYS 3 -2.337 2.523 10.580 22 HZ2 LYS 3 HZ2 LYS 3 -0.765 3.113 10.778 23 HZ3 LYS 3 HZ3 LYS 3 -1.132 1.522 11.220 24 H GLY 4 HN GLY 4 -1.950 -0.726 3.983 25 HA2 GLY 4 HA2 GLY 4 -2.019 2.174 3.649 26 HA3 GLY 4 HA1 GLY 4 -1.671 1.226 2.213 27 H ASP 5 HN ASP 5 -3.610 2.172 1.322 28 HA ASP 5 HA ASP 5 -6.084 0.981 2.388 29 HB2 ASP 5 HB2 ASP 5 -7.210 2.797 0.990 30 HB3 ASP 5 HB1 ASP 5 -6.340 3.329 2.425 31 H PHE 6 HN PHE 6 -3.923 1.028 -0.275 32 HA PHE 6 HA PHE 6 -5.891 -0.367 -1.963 33 HB2 PHE 6 HB2 PHE 6 -3.521 1.347 -2.582 34 HB3 PHE 6 HB1 PHE 6 -3.980 0.092 -3.728 35 HD1 PHE 6 HD1 PHE 6 -5.251 0.821 -5.481 36 HD2 PHE 6 HD2 PHE 6 -5.738 2.678 -1.683 37 HE1 PHE 6 HE1 PHE 6 -6.957 2.316 -6.435 38 HE2 PHE 6 HE2 PHE 6 -7.445 4.176 -2.630 39 HZ PHE 6 HZ PHE 6 -8.057 3.995 -5.009 40 HA PRO 7 HA PRO 7 -3.504 -3.932 -0.295 41 HB2 PRO 7 HB2 PRO 7 -5.470 -5.118 -2.215 42 HB3 PRO 7 HB1 PRO 7 -4.977 -5.690 -0.616 43 HG2 PRO 7 HG2 PRO 7 -7.292 -4.416 -0.949 44 HG3 PRO 7 HG1 PRO 7 -6.297 -4.141 0.493 45 HD2 PRO 7 HD2 PRO 7 -6.757 -2.380 -1.852 46 HD3 PRO 7 HD1 PRO 7 -6.378 -1.952 -0.172 47 H ASP 8 HN ASP 8 -1.741 -4.870 -1.143 48 HA ASP 8 HA ASP 8 -1.512 -5.431 -3.956 49 HB2 ASP 8 HB2 ASP 8 0.292 -3.986 -4.488 50 HB3 ASP 8 HB1 ASP 8 -0.914 -2.973 -3.704 51 H VAL 9 HN VAL 9 0.182 -5.151 -0.855 52 HA VAL 9 HA VAL 9 1.203 -7.851 -1.196 53 HB VAL 9 HB VAL 9 2.963 -6.427 -2.180 54 HG11 VAL 9 HG11 VAL 9 4.177 -5.225 0.007 55 HG12 VAL 9 HG12 VAL 9 2.465 -4.852 0.197 56 HG13 VAL 9 HG13 VAL 9 3.302 -4.415 -1.291 57 HG21 VAL 9 HG21 VAL 9 3.281 -8.287 0.003 58 HG22 VAL 9 HG22 VAL 9 4.619 -7.140 -0.051 59 HG23 VAL 9 HG23 VAL 9 4.232 -8.111 -1.471 60 H GLY 10 HN GLY 1 -0.762 -6.892 0.535 61 HA2 GLY 10 HA2 GLY 1 -0.255 -8.021 2.928 62 HA3 GLY 10 HA1 GLY 1 0.433 -6.416 3.131 63 H ASP 11 HN ASP 1 -0.905 -4.656 3.368 64 HA ASP 11 HA ASP 1 -3.769 -5.287 3.656 65 HB2 ASP 11 HB2 ASP 1 -2.141 -4.418 5.626 66 HB3 ASP 11 HB1 ASP 1 -2.675 -2.869 4.979 67 H GLY 12 HN GLY 1 -1.426 -2.938 2.471 68 HA2 GLY 12 HA2 GLY 1 -2.851 -2.155 0.251 69 HA3 GLY 12 HA1 GLY 1 -3.367 -1.067 1.529 70 H ARG 13 HN ARG 1 -2.045 -0.246 -0.821 71 HA ARG 13 HA ARG 1 0.627 0.492 0.161 72 HB2 ARG 13 HB2 ARG 1 1.228 0.944 -2.141 73 HB3 ARG 13 HB1 ARG 1 0.548 -0.672 -2.023 74 HG2 ARG 13 HG2 ARG 1 -1.638 0.296 -2.783 75 HG3 ARG 13 HG1 ARG 1 -0.773 1.800 -3.108 76 HD2 ARG 13 HD2 ARG 1 0.655 0.691 -4.699 77 HD3 ARG 13 HD1 ARG 1 -0.048 -0.874 -4.296 78 HE ARG 13 HE ARG 1 -1.773 -0.410 -5.713 79 HH11 ARG 13 HH11 ARG 1 -0.182 2.587 -4.895 80 HH12 ARG 13 HH12 ARG 1 -1.114 3.530 -6.009 81 HH21 ARG 13 HH21 ARG 1 -2.999 0.829 -7.178 82 HH22 ARG 13 HH22 ARG 1 -2.714 2.532 -7.305 83 H ILE 14 HN ILE 1 1.200 2.707 -1.227 84 HA ILE 14 HA ILE 1 -0.960 4.630 -0.748 85 HB ILE 14 HB ILE 1 0.767 6.198 0.256 86 HG12 ILE 14 HG12 ILE 1 2.258 3.585 0.589 87 HG13 ILE 14 HG11 ILE 1 2.776 4.961 -0.379 88 HG21 ILE 14 HG21 ILE 1 0.479 3.965 2.162 89 HG22 ILE 14 HG22 ILE 1 -1.006 4.543 1.406 90 HG23 ILE 14 HG23 ILE 1 0.013 5.659 2.315 91 HD11 ILE 14 HD11 ILE 1 3.291 6.235 1.486 92 HD12 ILE 14 HD12 ILE 1 3.819 4.614 1.937 93 HD13 ILE 14 HD13 ILE 1 2.295 5.249 2.557 94 H LEU 15 HN LEU 1 2.285 4.067 -2.064 95 HA LEU 15 HA LEU 1 1.987 6.329 -3.878 96 HB2 LEU 15 HB2 LEU 1 4.233 4.583 -3.009 97 HB3 LEU 15 HB1 LEU 1 4.340 5.310 -4.601 98 HG LEU 15 HG LEU 1 5.510 6.696 -3.019 99 HD11 LEU 15 HD11 LEU 1 2.957 8.182 -3.469 100 HD12 LEU 15 HD12 LEU 1 3.940 7.669 -4.840 101 HD13 LEU 15 HD13 LEU 1 4.623 8.742 -3.618 102 HD21 LEU 15 HD21 LEU 1 4.359 7.737 -1.122 103 HD22 LEU 15 HD22 LEU 1 4.390 5.979 -0.983 104 HD23 LEU 15 HD23 LEU 1 2.912 6.798 -1.490 105 H ALA 16 HN ALA 1 2.160 6.122 -6.155 106 HA ALA 16 HA ALA 1 1.201 3.525 -7.142 107 HB1 ALA 16 HB1 ALA 1 -0.033 5.836 -7.454 108 HB2 ALA 16 HB2 ALA 1 -0.042 4.611 -8.722 109 HB3 ALA 16 HB3 ALA 1 1.071 5.975 -8.821 110 H GLY 17 HN GLY 1 3.680 5.964 -7.555 111 HA2 GLY 17 HA2 GLY 1 5.144 4.077 -9.272 112 HA3 GLY 17 HA1 GLY 1 4.954 5.744 -9.796 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 -0.305 -2.812 -1.091 2 HA2 GLY 1 HA2 GLY 1 2.509 -3.312 -0.354 3 HA3 GLY 1 HA1 GLY 1 1.734 -1.751 -0.137 4 HA PRO 2 HA PRO 2 1.254 -4.354 3.730 5 HB2 PRO 2 HB2 PRO 2 2.765 -2.856 5.411 6 HB3 PRO 2 HB1 PRO 2 3.428 -4.168 4.432 7 HG2 PRO 2 HG2 PRO 2 3.565 -1.224 3.998 8 HG3 PRO 2 HG1 PRO 2 4.780 -2.468 3.667 9 HD2 PRO 2 HD2 PRO 2 3.145 -1.322 1.763 10 HD3 PRO 2 HD1 PRO 2 3.934 -2.902 1.599 11 H LYS 3 HN LYS 3 1.931 -1.116 4.908 12 HA LYS 3 HA LYS 3 -0.824 -0.907 5.806 13 HB2 LYS 3 HB2 LYS 3 1.594 -0.230 6.955 14 HB3 LYS 3 HB1 LYS 3 0.949 1.327 6.453 15 HG2 LYS 3 HG2 LYS 3 -0.321 1.353 8.262 16 HG3 LYS 3 HG1 LYS 3 -1.175 -0.069 7.661 17 HD2 LYS 3 HD2 LYS 3 1.336 -0.091 9.337 18 HD3 LYS 3 HD1 LYS 3 -0.295 -0.439 9.915 19 HE2 LYS 3 HE2 LYS 3 -0.363 -2.286 8.180 20 HE3 LYS 3 HE1 LYS 3 1.370 -2.027 7.977 21 HZ1 LYS 3 HZ1 LYS 3 -0.075 -3.269 10.166 22 HZ2 LYS 3 HZ2 LYS 3 1.204 -2.261 10.623 23 HZ3 LYS 3 HZ3 LYS 3 1.487 -3.569 9.589 24 H GLY 4 HN GLY 4 -1.846 -0.486 3.797 25 HA2 GLY 4 HA2 GLY 4 -1.774 2.335 3.082 26 HA3 GLY 4 HA1 GLY 4 -1.348 1.212 1.801 27 H ASP 5 HN ASP 5 -3.318 2.543 0.987 28 HA ASP 5 HA ASP 5 -5.811 1.205 1.790 29 HB2 ASP 5 HB2 ASP 5 -5.553 3.726 0.146 30 HB3 ASP 5 HB1 ASP 5 -7.006 3.087 0.909 31 H PHE 6 HN PHE 6 -3.775 0.062 0.012 32 HA PHE 6 HA PHE 6 -5.548 -0.612 -2.188 33 HB2 PHE 6 HB2 PHE 6 -3.045 0.945 -2.497 34 HB3 PHE 6 HB1 PHE 6 -3.281 -0.375 -3.637 35 HD1 PHE 6 HD1 PHE 6 -4.855 2.699 -2.297 36 HD2 PHE 6 HD2 PHE 6 -4.708 -0.134 -5.469 37 HE1 PHE 6 HE1 PHE 6 -6.333 4.135 -3.642 38 HE2 PHE 6 HE2 PHE 6 -6.185 1.296 -6.821 39 HZ PHE 6 HZ PHE 6 -6.999 3.434 -5.908 40 HA PRO 7 HA PRO 7 -3.685 -4.355 -0.204 41 HB2 PRO 7 HB2 PRO 7 -5.692 -5.378 -2.176 42 HB3 PRO 7 HB1 PRO 7 -5.338 -5.944 -0.538 43 HG2 PRO 7 HG2 PRO 7 -7.472 -4.423 -1.019 44 HG3 PRO 7 HG1 PRO 7 -6.514 -4.213 0.458 45 HD2 PRO 7 HD2 PRO 7 -6.666 -2.494 -1.956 46 HD3 PRO 7 HD1 PRO 7 -6.304 -2.055 -0.276 47 H ASP 8 HN ASP 8 -1.666 -4.527 -1.053 48 HA ASP 8 HA ASP 8 -1.477 -5.533 -3.812 49 HB2 ASP 8 HB2 ASP 8 0.411 -4.211 -4.278 50 HB3 ASP 8 HB1 ASP 8 -0.688 -3.115 -3.449 51 H VAL 9 HN VAL 9 0.098 -5.375 -0.639 52 HA VAL 9 HA VAL 9 0.808 -8.170 -0.829 53 HB VAL 9 HB VAL 9 3.008 -6.124 -0.485 54 HG11 VAL 9 HG11 VAL 9 3.892 -7.858 0.660 55 HG12 VAL 9 HG12 VAL 9 4.257 -8.461 -0.956 56 HG13 VAL 9 HG13 VAL 9 2.830 -9.043 -0.100 57 HG21 VAL 9 HG21 VAL 9 3.849 -7.053 -2.647 58 HG22 VAL 9 HG22 VAL 9 2.353 -6.130 -2.786 59 HG23 VAL 9 HG23 VAL 9 2.308 -7.892 -2.824 60 H GLY 10 HN GLY 1 -0.950 -7.449 0.895 61 HA2 GLY 10 HA2 GLY 1 -0.431 -8.245 3.336 62 HA3 GLY 10 HA1 GLY 1 0.336 -6.665 3.409 63 H ASP 11 HN ASP 1 -0.899 -4.860 3.678 64 HA ASP 11 HA ASP 1 -3.781 -5.325 4.053 65 HB2 ASP 11 HB2 ASP 1 -1.962 -4.317 5.848 66 HB3 ASP 11 HB1 ASP 1 -2.664 -2.850 5.173 67 H GLY 12 HN GLY 1 -1.384 -3.302 2.503 68 HA2 GLY 12 HA2 GLY 1 -2.721 -2.575 0.294 69 HA3 GLY 12 HA1 GLY 1 -3.369 -1.450 1.478 70 H ARG 13 HN ARG 1 -2.039 -0.542 -0.752 71 HA ARG 13 HA ARG 1 0.534 0.385 0.345 72 HB2 ARG 13 HB2 ARG 1 0.237 -0.978 -1.958 73 HB3 ARG 13 HB1 ARG 1 0.005 0.657 -2.560 74 HG2 ARG 13 HG2 ARG 1 2.159 1.304 -2.011 75 HG3 ARG 13 HG1 ARG 1 2.357 0.002 -0.837 76 HD2 ARG 13 HD2 ARG 1 3.609 -0.833 -2.555 77 HD3 ARG 13 HD1 ARG 1 2.035 -1.507 -2.975 78 HE ARG 13 HE ARG 1 1.975 -0.151 -4.824 79 HH11 ARG 13 HH11 ARG 1 4.540 0.912 -2.708 80 HH12 ARG 13 HH12 ARG 1 5.205 2.016 -3.864 81 HH21 ARG 13 HH21 ARG 1 2.849 1.300 -6.345 82 HH22 ARG 13 HH22 ARG 1 4.245 2.237 -5.929 83 H ILE 14 HN ILE 1 1.179 2.569 -0.713 84 HA ILE 14 HA ILE 1 -1.122 4.330 -1.091 85 HB ILE 14 HB ILE 1 -0.180 5.999 0.490 86 HG12 ILE 14 HG12 ILE 1 2.131 4.973 0.493 87 HG13 ILE 14 HG11 ILE 1 1.504 5.413 2.077 88 HG21 ILE 14 HG21 ILE 1 -1.161 3.344 1.464 89 HG22 ILE 14 HG22 ILE 1 -2.035 4.868 1.316 90 HG23 ILE 14 HG23 ILE 1 -0.831 4.662 2.588 91 HD11 ILE 14 HD11 ILE 1 1.935 3.362 2.770 92 HD12 ILE 14 HD12 ILE 1 2.439 2.889 1.147 93 HD13 ILE 14 HD13 ILE 1 0.747 2.742 1.622 94 H LEU 15 HN LEU 1 1.061 3.307 -2.787 95 HA LEU 15 HA LEU 1 2.208 5.903 -3.571 96 HB2 LEU 15 HB2 LEU 1 3.548 3.374 -2.982 97 HB3 LEU 15 HB1 LEU 1 3.981 4.025 -4.551 98 HG LEU 15 HG LEU 1 5.596 4.806 -2.990 99 HD11 LEU 15 HD11 LEU 1 5.590 7.017 -3.531 100 HD12 LEU 15 HD12 LEU 1 3.887 7.229 -3.123 101 HD13 LEU 15 HD13 LEU 1 4.340 6.450 -4.639 102 HD21 LEU 15 HD21 LEU 1 4.459 6.405 -1.125 103 HD22 LEU 15 HD22 LEU 1 4.917 4.725 -0.848 104 HD23 LEU 15 HD23 LEU 1 3.249 5.128 -1.252 105 H ALA 16 HN ALA 1 2.856 5.973 -5.889 106 HA ALA 16 HA ALA 1 1.321 4.151 -7.596 107 HB1 ALA 16 HB1 ALA 1 -0.263 5.764 -7.697 108 HB2 ALA 16 HB2 ALA 1 0.830 6.434 -8.908 109 HB3 ALA 16 HB3 ALA 1 0.861 7.050 -7.256 110 H GLY 17 HN GLY 1 3.203 7.158 -8.004 111 HA2 GLY 17 HA2 GLY 1 5.309 5.716 -9.378 112 HA3 GLY 17 HA1 GLY 1 4.347 6.766 -10.408 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 -0.177 -2.956 -1.123 2 HA2 GLY 1 HA2 GLY 1 2.666 -3.165 -0.348 3 HA3 GLY 1 HA1 GLY 1 1.796 -1.650 -0.165 4 HA PRO 2 HA PRO 2 1.346 -4.347 3.672 5 HB2 PRO 2 HB2 PRO 2 2.810 -2.858 5.403 6 HB3 PRO 2 HB1 PRO 2 3.508 -4.144 4.414 7 HG2 PRO 2 HG2 PRO 2 3.575 -1.187 3.998 8 HG3 PRO 2 HG1 PRO 2 4.847 -2.389 3.726 9 HD2 PRO 2 HD2 PRO 2 3.299 -1.326 1.733 10 HD3 PRO 2 HD1 PRO 2 4.063 -2.924 1.646 11 H LYS 3 HN LYS 3 1.962 -1.155 4.975 12 HA LYS 3 HA LYS 3 -0.834 -0.965 5.746 13 HB2 LYS 3 HB2 LYS 3 1.082 -0.580 7.355 14 HB3 LYS 3 HB1 LYS 3 1.409 0.912 6.486 15 HG2 LYS 3 HG2 LYS 3 -0.311 1.991 7.433 16 HG3 LYS 3 HG1 LYS 3 -1.375 0.586 7.342 17 HD2 LYS 3 HD2 LYS 3 -1.043 0.986 9.643 18 HD3 LYS 3 HD1 LYS 3 -0.011 -0.390 9.247 19 HE2 LYS 3 HE2 LYS 3 1.891 0.758 9.635 20 HE3 LYS 3 HE1 LYS 3 1.247 2.254 8.961 21 HZ1 LYS 3 HZ1 LYS 3 1.204 1.284 11.700 22 HZ2 LYS 3 HZ2 LYS 3 -0.201 2.065 11.174 23 HZ3 LYS 3 HZ3 LYS 3 1.286 2.869 11.113 24 H GLY 4 HN GLY 4 -1.734 -0.466 3.687 25 HA2 GLY 4 HA2 GLY 4 -1.534 2.385 3.064 26 HA3 GLY 4 HA1 GLY 4 -1.193 1.252 1.766 27 H ASP 5 HN ASP 5 -2.971 2.235 0.633 28 HA ASP 5 HA ASP 5 -5.605 1.379 1.637 29 HB2 ASP 5 HB2 ASP 5 -5.083 3.560 -0.386 30 HB3 ASP 5 HB1 ASP 5 -6.603 3.192 0.422 31 H PHE 6 HN PHE 6 -3.278 0.946 -0.824 32 HA PHE 6 HA PHE 6 -5.261 -0.357 -2.565 33 HB2 PHE 6 HB2 PHE 6 -2.441 0.295 -3.385 34 HB3 PHE 6 HB1 PHE 6 -3.848 0.021 -4.407 35 HD1 PHE 6 HD1 PHE 6 -5.825 1.795 -3.107 36 HD2 PHE 6 HD2 PHE 6 -1.711 2.411 -4.003 37 HE1 PHE 6 HE1 PHE 6 -6.217 4.222 -3.217 38 HE2 PHE 6 HE2 PHE 6 -2.094 4.839 -4.113 39 HZ PHE 6 HZ PHE 6 -4.349 5.747 -3.719 40 HA PRO 7 HA PRO 7 -3.480 -4.002 -0.368 41 HB2 PRO 7 HB2 PRO 7 -5.448 -5.111 -2.332 42 HB3 PRO 7 HB1 PRO 7 -5.142 -5.588 -0.658 43 HG2 PRO 7 HG2 PRO 7 -7.242 -4.070 -1.281 44 HG3 PRO 7 HG1 PRO 7 -6.324 -3.796 0.211 45 HD2 PRO 7 HD2 PRO 7 -6.392 -2.199 -2.287 46 HD3 PRO 7 HD1 PRO 7 -6.055 -1.684 -0.623 47 H ASP 8 HN ASP 8 -1.497 -4.512 -1.068 48 HA ASP 8 HA ASP 8 -1.235 -5.600 -3.780 49 HB2 ASP 8 HB2 ASP 8 0.728 -4.380 -4.260 50 HB3 ASP 8 HB1 ASP 8 -0.385 -3.196 -3.588 51 H VAL 9 HN VAL 9 0.238 -5.280 -0.571 52 HA VAL 9 HA VAL 9 1.002 -8.092 -0.682 53 HB VAL 9 HB VAL 9 2.991 -5.933 0.046 54 HG11 VAL 9 HG11 VAL 9 4.465 -8.150 -0.193 55 HG12 VAL 9 HG12 VAL 9 2.953 -8.876 0.348 56 HG13 VAL 9 HG13 VAL 9 3.741 -7.643 1.333 57 HG21 VAL 9 HG21 VAL 9 4.188 -6.520 -1.951 58 HG22 VAL 9 HG22 VAL 9 2.529 -6.121 -2.393 59 HG23 VAL 9 HG23 VAL 9 3.040 -7.806 -2.316 60 H GLY 10 HN GLY 1 -1.076 -7.371 0.740 61 HA2 GLY 10 HA2 GLY 1 -1.102 -8.277 3.156 62 HA3 GLY 10 HA1 GLY 1 -0.158 -6.831 3.484 63 H ASP 11 HN ASP 1 -1.156 -4.817 3.476 64 HA ASP 11 HA ASP 1 -4.092 -4.930 3.581 65 HB2 ASP 11 HB2 ASP 1 -2.356 -4.007 5.474 66 HB3 ASP 11 HB1 ASP 1 -2.749 -2.518 4.619 67 H GLY 12 HN GLY 1 -1.370 -3.063 2.309 68 HA2 GLY 12 HA2 GLY 1 -2.279 -2.466 -0.145 69 HA3 GLY 12 HA1 GLY 1 -3.128 -1.285 0.838 70 H ARG 13 HN ARG 1 -1.474 -0.405 -1.122 71 HA ARG 13 HA ARG 1 0.988 0.416 0.263 72 HB2 ARG 13 HB2 ARG 1 1.661 1.170 -2.094 73 HB3 ARG 13 HB1 ARG 1 1.600 -0.560 -1.784 74 HG2 ARG 13 HG2 ARG 1 -0.559 -0.708 -2.873 75 HG3 ARG 13 HG1 ARG 1 -0.570 1.038 -3.127 76 HD2 ARG 13 HD2 ARG 1 1.751 0.500 -4.292 77 HD3 ARG 13 HD1 ARG 1 0.998 -1.080 -4.500 78 HE ARG 13 HE ARG 1 0.401 1.286 -5.945 79 HH11 ARG 13 HH11 ARG 1 -1.084 -1.571 -4.599 80 HH12 ARG 13 HH12 ARG 1 -2.387 -1.583 -5.740 81 HH21 ARG 13 HH21 ARG 1 -1.312 1.271 -7.446 82 HH22 ARG 13 HH22 ARG 1 -2.516 0.029 -7.356 83 H ILE 14 HN ILE 1 1.657 2.631 0.129 84 HA ILE 14 HA ILE 1 -0.619 4.457 0.187 85 HB ILE 14 HB ILE 1 0.934 4.473 2.092 86 HG12 ILE 14 HG12 ILE 1 1.268 6.900 2.207 87 HG13 ILE 14 HG11 ILE 1 1.040 7.024 0.465 88 HG21 ILE 14 HG21 ILE 1 2.984 3.875 0.954 89 HG22 ILE 14 HG22 ILE 1 3.199 5.396 1.820 90 HG23 ILE 14 HG23 ILE 1 2.969 5.402 0.072 91 HD11 ILE 14 HD11 ILE 1 -1.222 6.693 0.604 92 HD12 ILE 14 HD12 ILE 1 -0.908 7.567 2.103 93 HD13 ILE 14 HD13 ILE 1 -1.111 5.816 2.130 94 H LEU 15 HN LEU 1 2.296 3.823 -1.632 95 HA LEU 15 HA LEU 1 1.752 6.173 -3.318 96 HB2 LEU 15 HB2 LEU 1 4.221 4.759 -2.511 97 HB3 LEU 15 HB1 LEU 1 4.168 5.319 -4.172 98 HG LEU 15 HG LEU 1 3.676 7.114 -1.799 99 HD11 LEU 15 HD11 LEU 1 5.873 6.754 -1.419 100 HD12 LEU 15 HD12 LEU 1 6.054 7.918 -2.731 101 HD13 LEU 15 HD13 LEU 1 6.179 6.190 -3.062 102 HD21 LEU 15 HD21 LEU 1 2.942 7.546 -4.334 103 HD22 LEU 15 HD22 LEU 1 4.610 8.110 -4.422 104 HD23 LEU 15 HD23 LEU 1 3.495 8.833 -3.263 105 H ALA 16 HN ALA 1 1.436 5.958 -5.495 106 HA ALA 16 HA ALA 1 1.720 3.355 -6.757 107 HB1 ALA 16 HB1 ALA 1 -0.959 4.725 -6.813 108 HB2 ALA 16 HB2 ALA 1 -0.561 3.422 -5.694 109 HB3 ALA 16 HB3 ALA 1 -0.543 3.127 -7.433 110 H GLY 17 HN GLY 1 3.330 4.559 -7.930 111 HA2 GLY 17 HA2 GLY 1 3.031 5.186 -10.436 112 HA3 GLY 17 HA1 GLY 1 2.286 6.619 -9.745 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 -0.411 -2.931 -1.284 2 HA2 GLY 1 HA2 GLY 1 2.406 -3.489 -0.691 3 HA3 GLY 1 HA1 GLY 1 1.645 -1.918 -0.505 4 HA PRO 2 HA PRO 2 1.232 -4.124 3.527 5 HB2 PRO 2 HB2 PRO 2 2.997 -2.662 4.988 6 HB3 PRO 2 HB1 PRO 2 3.450 -4.099 4.070 7 HG2 PRO 2 HG2 PRO 2 4.074 -1.291 3.546 8 HG3 PRO 2 HG1 PRO 2 4.824 -2.748 2.881 9 HD2 PRO 2 HD2 PRO 2 2.854 -1.015 1.668 10 HD3 PRO 2 HD1 PRO 2 3.694 -2.405 0.955 11 H LYS 3 HN LYS 3 2.243 -0.795 4.151 12 HA LYS 3 HA LYS 3 -0.277 -0.315 5.520 13 HB2 LYS 3 HB2 LYS 3 2.285 0.379 6.131 14 HB3 LYS 3 HB1 LYS 3 1.704 1.863 5.388 15 HG2 LYS 3 HG2 LYS 3 -0.309 1.608 6.978 16 HG3 LYS 3 HG1 LYS 3 0.732 0.487 7.858 17 HD2 LYS 3 HD2 LYS 3 1.770 3.185 7.105 18 HD3 LYS 3 HD1 LYS 3 0.693 3.021 8.494 19 HE2 LYS 3 HE2 LYS 3 2.196 1.549 9.593 20 HE3 LYS 3 HE1 LYS 3 3.177 1.360 8.141 21 HZ1 LYS 3 HZ1 LYS 3 2.866 3.881 9.680 22 HZ2 LYS 3 HZ2 LYS 3 3.843 3.665 8.317 23 HZ3 LYS 3 HZ3 LYS 3 4.206 2.851 9.754 24 H GLY 4 HN GLY 4 -1.821 0.041 3.970 25 HA2 GLY 4 HA2 GLY 4 -1.893 2.636 2.789 26 HA3 GLY 4 HA1 GLY 4 -1.581 1.401 1.579 27 H ASP 5 HN ASP 5 -3.627 2.148 0.660 28 HA ASP 5 HA ASP 5 -5.916 0.848 1.983 29 HB2 ASP 5 HB2 ASP 5 -5.949 3.400 1.999 30 HB3 ASP 5 HB1 ASP 5 -6.161 3.307 0.253 31 H PHE 6 HN PHE 6 -4.029 -0.126 -0.071 32 HA PHE 6 HA PHE 6 -6.031 -1.013 -1.989 33 HB2 PHE 6 HB2 PHE 6 -4.323 1.037 -2.699 34 HB3 PHE 6 HB1 PHE 6 -3.501 -0.389 -3.323 35 HD1 PHE 6 HD1 PHE 6 -3.809 -0.367 -5.610 36 HD2 PHE 6 HD2 PHE 6 -7.132 0.379 -3.058 37 HE1 PHE 6 HE1 PHE 6 -5.306 -0.376 -7.563 38 HE2 PHE 6 HE2 PHE 6 -8.635 0.371 -5.006 39 HZ PHE 6 HZ PHE 6 -7.722 -0.006 -7.262 40 HA PRO 7 HA PRO 7 -3.773 -4.633 -0.271 41 HB2 PRO 7 HB2 PRO 7 -5.756 -5.770 -2.206 42 HB3 PRO 7 HB1 PRO 7 -5.296 -6.349 -0.600 43 HG2 PRO 7 HG2 PRO 7 -7.565 -4.998 -0.962 44 HG3 PRO 7 HG1 PRO 7 -6.577 -4.756 0.489 45 HD2 PRO 7 HD2 PRO 7 -6.962 -2.978 -1.853 46 HD3 PRO 7 HD1 PRO 7 -6.562 -2.567 -0.174 47 H ASP 8 HN ASP 8 -1.848 -5.123 -1.091 48 HA ASP 8 HA ASP 8 -1.646 -5.914 -3.891 49 HB2 ASP 8 HB2 ASP 8 0.051 -4.422 -4.479 50 HB3 ASP 8 HB1 ASP 8 -1.040 -3.417 -3.534 51 H VAL 9 HN VAL 9 0.041 -5.569 -0.789 52 HA VAL 9 HA VAL 9 0.950 -8.305 -0.942 53 HB VAL 9 HB VAL 9 3.012 -6.098 -0.771 54 HG11 VAL 9 HG11 VAL 9 4.050 -7.740 0.395 55 HG12 VAL 9 HG12 VAL 9 4.425 -8.326 -1.226 56 HG13 VAL 9 HG13 VAL 9 3.076 -9.021 -0.328 57 HG21 VAL 9 HG21 VAL 9 2.251 -6.228 -3.036 58 HG22 VAL 9 HG22 VAL 9 2.334 -7.989 -3.018 59 HG23 VAL 9 HG23 VAL 9 3.816 -7.035 -2.942 60 H GLY 10 HN GLY 1 -0.809 -6.929 0.780 61 HA2 GLY 10 HA2 GLY 1 -0.147 -7.837 3.266 62 HA3 GLY 10 HA1 GLY 1 0.554 -6.226 3.212 63 H ASP 11 HN ASP 1 -0.708 -4.544 3.716 64 HA ASP 11 HA ASP 1 -3.564 -5.076 4.122 65 HB2 ASP 11 HB2 ASP 1 -1.727 -3.946 5.814 66 HB3 ASP 11 HB1 ASP 1 -2.493 -2.523 5.113 67 H GLY 12 HN GLY 1 -1.320 -3.038 2.379 68 HA2 GLY 12 HA2 GLY 1 -2.809 -2.436 0.226 69 HA3 GLY 12 HA1 GLY 1 -3.411 -1.281 1.404 70 H ARG 13 HN ARG 1 -2.272 -0.400 -0.922 71 HA ARG 13 HA ARG 1 0.261 0.755 0.038 72 HB2 ARG 13 HB2 ARG 1 1.171 0.698 -2.180 73 HB3 ARG 13 HB1 ARG 1 0.596 -0.917 -1.793 74 HG2 ARG 13 HG2 ARG 1 -1.558 -0.197 -3.017 75 HG3 ARG 13 HG1 ARG 1 -0.551 1.086 -3.690 76 HD2 ARG 13 HD2 ARG 1 0.789 -0.393 -4.851 77 HD3 ARG 13 HD1 ARG 1 0.403 -1.741 -3.783 78 HE ARG 13 HE ARG 1 -1.965 -1.208 -4.968 79 HH11 ARG 13 HH11 ARG 1 1.243 -1.778 -6.218 80 HH12 ARG 13 HH12 ARG 1 0.678 -2.476 -7.699 81 HH21 ARG 13 HH21 ARG 1 -2.711 -2.128 -6.913 82 HH22 ARG 13 HH22 ARG 1 -1.567 -2.674 -8.093 83 H ILE 14 HN ILE 1 0.773 2.875 -0.894 84 HA ILE 14 HA ILE 1 -1.367 4.354 -2.152 85 HB ILE 14 HB ILE 1 -1.561 6.070 -0.444 86 HG12 ILE 14 HG12 ILE 1 0.704 5.775 0.542 87 HG13 ILE 14 HG11 ILE 1 -0.569 5.838 1.757 88 HG21 ILE 14 HG21 ILE 1 -3.072 4.090 -0.449 89 HG22 ILE 14 HG22 ILE 1 -2.913 4.875 1.122 90 HG23 ILE 14 HG23 ILE 1 -2.052 3.371 0.796 91 HD11 ILE 14 HD11 ILE 1 0.527 4.062 2.580 92 HD12 ILE 14 HD12 ILE 1 1.246 3.647 1.024 93 HD13 ILE 14 HD13 ILE 1 -0.419 3.184 1.378 94 H LEU 15 HN LEU 1 1.495 3.621 -2.588 95 HA LEU 15 HA LEU 1 2.421 6.318 -3.234 96 HB2 LEU 15 HB2 LEU 1 4.344 4.313 -2.094 97 HB3 LEU 15 HB1 LEU 1 4.568 6.038 -2.318 98 HG LEU 15 HG LEU 1 2.518 5.004 -0.388 99 HD11 LEU 15 HD11 LEU 1 5.286 5.699 0.491 100 HD12 LEU 15 HD12 LEU 1 4.910 4.059 -0.037 101 HD13 LEU 15 HD13 LEU 1 4.044 4.767 1.327 102 HD21 LEU 15 HD21 LEU 1 3.555 7.260 0.657 103 HD22 LEU 15 HD22 LEU 1 2.171 7.231 -0.434 104 HD23 LEU 15 HD23 LEU 1 3.781 7.578 -1.062 105 H ALA 16 HN ALA 1 1.354 4.965 -5.164 106 HA ALA 16 HA ALA 1 3.316 3.275 -6.492 107 HB1 ALA 16 HB1 ALA 1 0.824 4.056 -7.884 108 HB2 ALA 16 HB2 ALA 1 0.655 3.080 -6.424 109 HB3 ALA 16 HB3 ALA 1 1.621 2.486 -7.775 110 H GLY 17 HN GLY 1 4.782 5.249 -6.522 111 HA2 GLY 17 HA2 GLY 1 5.877 6.845 -7.755 112 HA3 GLY 17 HA1 GLY 1 5.033 6.186 -9.148 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 0.240 -2.468 -1.085 2 HA2 GLY 1 HA2 GLY 1 2.796 -3.451 -0.055 3 HA3 GLY 1 HA1 GLY 1 2.187 -1.811 0.101 4 HA PRO 2 HA PRO 2 1.153 -4.210 3.959 5 HB2 PRO 2 HB2 PRO 2 2.469 -2.657 5.737 6 HB3 PRO 2 HB1 PRO 2 3.251 -3.978 4.865 7 HG2 PRO 2 HG2 PRO 2 3.355 -1.040 4.339 8 HG3 PRO 2 HG1 PRO 2 4.647 -2.246 4.231 9 HD2 PRO 2 HD2 PRO 2 3.264 -1.269 2.069 10 HD3 PRO 2 HD1 PRO 2 4.064 -2.851 2.107 11 H LYS 3 HN LYS 3 1.669 -0.991 5.214 12 HA LYS 3 HA LYS 3 -1.196 -0.740 5.633 13 HB2 LYS 3 HB2 LYS 3 0.943 -0.179 7.233 14 HB3 LYS 3 HB1 LYS 3 0.556 1.416 6.604 15 HG2 LYS 3 HG2 LYS 3 -1.640 1.332 7.490 16 HG3 LYS 3 HG1 LYS 3 -1.490 -0.385 7.870 17 HD2 LYS 3 HD2 LYS 3 -1.169 0.632 9.933 18 HD3 LYS 3 HD1 LYS 3 0.481 0.360 9.369 19 HE2 LYS 3 HE2 LYS 3 0.777 2.617 8.803 20 HE3 LYS 3 HE1 LYS 3 -0.954 2.945 8.854 21 HZ1 LYS 3 HZ1 LYS 3 -0.954 3.102 11.110 22 HZ2 LYS 3 HZ2 LYS 3 0.623 3.635 10.813 23 HZ3 LYS 3 HZ3 LYS 3 0.350 2.043 11.314 24 H GLY 4 HN GLY 4 -1.881 -0.249 3.507 25 HA2 GLY 4 HA2 GLY 4 -1.376 2.555 2.778 26 HA3 GLY 4 HA1 GLY 4 -1.216 1.307 1.554 27 H ASP 5 HN ASP 5 -2.863 2.030 0.239 28 HA ASP 5 HA ASP 5 -5.569 1.898 1.402 29 HB2 ASP 5 HB2 ASP 5 -4.333 3.809 -0.507 30 HB3 ASP 5 HB1 ASP 5 -6.012 3.364 -0.796 31 H PHE 6 HN PHE 6 -3.450 0.819 -1.129 32 HA PHE 6 HA PHE 6 -5.666 -0.752 -2.272 33 HB2 PHE 6 HB2 PHE 6 -3.464 0.760 -3.549 34 HB3 PHE 6 HB1 PHE 6 -3.840 -0.807 -4.258 35 HD1 PHE 6 HD1 PHE 6 -5.910 1.950 -2.824 36 HD2 PHE 6 HD2 PHE 6 -5.101 -0.574 -6.154 37 HE1 PHE 6 HE1 PHE 6 -7.796 2.958 -4.042 38 HE2 PHE 6 HE2 PHE 6 -6.985 0.430 -7.378 39 HZ PHE 6 HZ PHE 6 -8.334 2.199 -6.322 40 HA PRO 7 HA PRO 7 -3.359 -4.108 -0.253 41 HB2 PRO 7 HB2 PRO 7 -5.260 -5.561 -2.045 42 HB3 PRO 7 HB1 PRO 7 -4.843 -5.876 -0.357 43 HG2 PRO 7 HG2 PRO 7 -7.133 -4.675 -0.982 44 HG3 PRO 7 HG1 PRO 7 -6.197 -4.168 0.436 45 HD2 PRO 7 HD2 PRO 7 -6.525 -2.824 -2.197 46 HD3 PRO 7 HD1 PRO 7 -6.268 -2.117 -0.590 47 H ASP 8 HN ASP 8 -1.357 -4.372 -1.061 48 HA ASP 8 HA ASP 8 -1.115 -5.335 -3.835 49 HB2 ASP 8 HB2 ASP 8 0.902 -4.145 -4.114 50 HB3 ASP 8 HB1 ASP 8 -0.177 -3.013 -3.308 51 H VAL 9 HN VAL 9 0.301 -5.484 -0.588 52 HA VAL 9 HA VAL 9 0.810 -8.309 -0.915 53 HB VAL 9 HB VAL 9 3.136 -6.455 -0.366 54 HG11 VAL 9 HG11 VAL 9 2.733 -9.371 -0.121 55 HG12 VAL 9 HG12 VAL 9 3.818 -8.296 0.760 56 HG13 VAL 9 HG13 VAL 9 4.247 -8.849 -0.858 57 HG21 VAL 9 HG21 VAL 9 2.594 -6.337 -2.697 58 HG22 VAL 9 HG22 VAL 9 2.439 -8.090 -2.801 59 HG23 VAL 9 HG23 VAL 9 4.019 -7.360 -2.518 60 H GLY 10 HN GLY 1 -0.982 -7.381 0.757 61 HA2 GLY 10 HA2 GLY 1 -0.633 -8.404 3.183 62 HA3 GLY 10 HA1 GLY 1 0.208 -6.872 3.370 63 H ASP 11 HN ASP 1 -0.999 -4.909 3.152 64 HA ASP 11 HA ASP 1 -3.896 -5.276 3.550 65 HB2 ASP 11 HB2 ASP 1 -1.987 -4.138 5.326 66 HB3 ASP 11 HB1 ASP 1 -3.019 -2.832 4.751 67 H GLY 12 HN GLY 1 -1.341 -3.158 2.322 68 HA2 GLY 12 HA2 GLY 1 -2.463 -2.445 -0.036 69 HA3 GLY 12 HA1 GLY 1 -3.224 -1.343 1.098 70 H ARG 13 HN ARG 1 -1.754 -0.333 -0.948 71 HA ARG 13 HA ARG 1 0.631 0.695 0.440 72 HB2 ARG 13 HB2 ARG 1 1.778 0.857 -1.724 73 HB3 ARG 13 HB1 ARG 1 1.344 -0.804 -1.351 74 HG2 ARG 13 HG2 ARG 1 -0.442 -0.782 -2.910 75 HG3 ARG 13 HG1 ARG 1 -0.315 0.965 -3.125 76 HD2 ARG 13 HD2 ARG 1 1.201 0.711 -4.731 77 HD3 ARG 13 HD1 ARG 1 2.212 -0.281 -3.680 78 HE ARG 13 HE ARG 1 -0.028 -1.686 -4.816 79 HH11 ARG 13 HH11 ARG 1 3.290 -0.713 -5.295 80 HH12 ARG 13 HH12 ARG 1 3.634 -1.989 -6.414 81 HH21 ARG 13 HH21 ARG 1 0.423 -3.364 -6.289 82 HH22 ARG 13 HH22 ARG 1 2.007 -3.493 -6.979 83 H ILE 14 HN ILE 1 1.204 2.874 -0.029 84 HA ILE 14 HA ILE 1 -0.927 4.457 -1.305 85 HB ILE 14 HB ILE 1 -0.227 6.264 0.434 86 HG12 ILE 14 HG12 ILE 1 0.314 5.211 2.656 87 HG13 ILE 14 HG11 ILE 1 0.626 3.704 1.800 88 HG21 ILE 14 HG21 ILE 1 -1.793 4.251 1.864 89 HG22 ILE 14 HG22 ILE 1 -2.339 4.552 0.215 90 HG23 ILE 14 HG23 ILE 1 -2.227 5.885 1.363 91 HD11 ILE 14 HD11 ILE 1 2.475 5.628 2.379 92 HD12 ILE 14 HD12 ILE 1 2.074 5.975 0.697 93 HD13 ILE 14 HD13 ILE 1 2.648 4.372 1.154 94 H LEU 15 HN LEU 1 1.734 3.493 -2.242 95 HA LEU 15 HA LEU 1 2.665 6.052 -3.248 96 HB2 LEU 15 HB2 LEU 1 5.090 5.110 -2.762 97 HB3 LEU 15 HB1 LEU 1 4.233 6.107 -1.603 98 HG LEU 15 HG LEU 1 3.428 3.835 -0.616 99 HD11 LEU 15 HD11 LEU 1 5.526 2.246 -0.943 100 HD12 LEU 15 HD12 LEU 1 5.550 3.031 -2.522 101 HD13 LEU 15 HD13 LEU 1 4.111 2.161 -1.992 102 HD21 LEU 15 HD21 LEU 1 6.025 5.237 -0.321 103 HD22 LEU 15 HD22 LEU 1 5.830 3.687 0.497 104 HD23 LEU 15 HD23 LEU 1 4.718 5.012 0.842 105 H ALA 16 HN ALA 1 1.932 5.343 -5.255 106 HA ALA 16 HA ALA 1 3.582 3.231 -6.479 107 HB1 ALA 16 HB1 ALA 1 0.636 3.727 -6.864 108 HB2 ALA 16 HB2 ALA 1 1.410 2.284 -6.209 109 HB3 ALA 16 HB3 ALA 1 1.602 2.691 -7.914 110 H GLY 17 HN GLY 1 1.132 5.458 -7.777 111 HA2 GLY 17 HA2 GLY 1 2.988 7.248 -8.959 112 HA3 GLY 17 HA1 GLY 1 2.485 6.042 -10.133 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 -0.348 -3.055 -1.295 2 HA2 GLY 1 HA2 GLY 1 2.557 -3.038 -0.780 3 HA3 GLY 1 HA1 GLY 1 1.612 -1.570 -0.575 4 HA PRO 2 HA PRO 2 1.647 -4.105 3.385 5 HB2 PRO 2 HB2 PRO 2 3.085 -2.424 4.945 6 HB3 PRO 2 HB1 PRO 2 3.835 -3.666 3.938 7 HG2 PRO 2 HG2 PRO 2 3.542 -0.734 3.422 8 HG3 PRO 2 HG1 PRO 2 4.930 -1.793 3.118 9 HD2 PRO 2 HD2 PRO 2 3.170 -1.016 1.179 10 HD3 PRO 2 HD1 PRO 2 4.081 -2.538 1.124 11 H LYS 3 HN LYS 3 2.056 -0.873 4.621 12 HA LYS 3 HA LYS 3 -0.727 -0.872 5.462 13 HB2 LYS 3 HB2 LYS 3 1.411 -0.294 6.889 14 HB3 LYS 3 HB1 LYS 3 1.197 1.300 6.179 15 HG2 LYS 3 HG2 LYS 3 -0.971 1.522 7.142 16 HG3 LYS 3 HG1 LYS 3 -0.968 -0.163 7.669 17 HD2 LYS 3 HD2 LYS 3 0.956 1.950 8.636 18 HD3 LYS 3 HD1 LYS 3 -0.491 1.432 9.503 19 HE2 LYS 3 HE2 LYS 3 1.988 -0.152 8.887 20 HE3 LYS 3 HE1 LYS 3 1.301 0.236 10.464 21 HZ1 LYS 3 HZ1 LYS 3 -0.631 -1.159 9.856 22 HZ2 LYS 3 HZ2 LYS 3 0.817 -2.029 9.951 23 HZ3 LYS 3 HZ3 LYS 3 0.175 -1.621 8.441 24 H GLY 4 HN GLY 4 -1.743 -0.402 3.459 25 HA2 GLY 4 HA2 GLY 4 -1.673 2.457 2.818 26 HA3 GLY 4 HA1 GLY 4 -1.386 1.321 1.510 27 H ASP 5 HN ASP 5 -3.244 2.169 0.445 28 HA ASP 5 HA ASP 5 -5.802 1.371 1.665 29 HB2 ASP 5 HB2 ASP 5 -5.544 3.796 1.162 30 HB3 ASP 5 HB1 ASP 5 -5.351 3.390 -0.541 31 H PHE 6 HN PHE 6 -3.661 0.852 -0.986 32 HA PHE 6 HA PHE 6 -5.717 -0.720 -2.386 33 HB2 PHE 6 HB2 PHE 6 -3.058 0.150 -3.516 34 HB3 PHE 6 HB1 PHE 6 -4.451 -0.472 -4.394 35 HD1 PHE 6 HD1 PHE 6 -6.621 0.948 -4.234 36 HD2 PHE 6 HD2 PHE 6 -2.726 2.427 -3.368 37 HE1 PHE 6 HE1 PHE 6 -7.416 3.247 -4.604 38 HE2 PHE 6 HE2 PHE 6 -3.514 4.729 -3.734 39 HZ PHE 6 HZ PHE 6 -5.862 5.141 -4.353 40 HA PRO 7 HA PRO 7 -3.448 -4.065 -0.182 41 HB2 PRO 7 HB2 PRO 7 -5.534 -5.468 -1.804 42 HB3 PRO 7 HB1 PRO 7 -5.016 -5.766 -0.140 43 HG2 PRO 7 HG2 PRO 7 -7.279 -4.460 -0.636 44 HG3 PRO 7 HG1 PRO 7 -6.220 -3.969 0.698 45 HD2 PRO 7 HD2 PRO 7 -6.675 -2.668 -1.935 46 HD3 PRO 7 HD1 PRO 7 -6.249 -1.944 -0.372 47 H ASP 8 HN ASP 8 -1.555 -4.654 -1.025 48 HA ASP 8 HA ASP 8 -1.526 -5.843 -3.704 49 HB2 ASP 8 HB2 ASP 8 0.369 -4.611 -4.418 50 HB3 ASP 8 HB1 ASP 8 -0.733 -3.423 -3.734 51 H VAL 9 HN VAL 9 0.312 -5.297 -0.713 52 HA VAL 9 HA VAL 9 1.196 -8.093 -0.828 53 HB VAL 9 HB VAL 9 3.047 -5.831 -0.059 54 HG11 VAL 9 HG11 VAL 9 3.123 -8.592 0.476 55 HG12 VAL 9 HG12 VAL 9 4.391 -7.399 0.755 56 HG13 VAL 9 HG13 VAL 9 4.337 -8.288 -0.766 57 HG21 VAL 9 HG21 VAL 9 3.529 -7.468 -2.489 58 HG22 VAL 9 HG22 VAL 9 3.974 -5.798 -2.141 59 HG23 VAL 9 HG23 VAL 9 2.316 -6.194 -2.583 60 H GLY 10 HN GLY 1 -0.892 -6.746 0.680 61 HA2 GLY 10 HA2 GLY 1 -0.793 -7.937 3.108 62 HA3 GLY 10 HA1 GLY 1 0.088 -6.441 3.382 63 H ASP 11 HN ASP 1 -1.021 -4.582 3.704 64 HA ASP 11 HA ASP 1 -3.937 -4.811 3.791 65 HB2 ASP 11 HB2 ASP 1 -2.326 -2.502 4.866 66 HB3 ASP 11 HB1 ASP 1 -3.942 -3.020 5.333 67 H GLY 12 HN GLY 1 -1.353 -2.993 2.270 68 HA2 GLY 12 HA2 GLY 1 -2.525 -2.369 -0.065 69 HA3 GLY 12 HA1 GLY 1 -3.188 -1.140 1.000 70 H ARG 13 HN ARG 1 -1.699 -0.446 -1.204 71 HA ARG 13 HA ARG 1 0.926 0.308 -0.116 72 HB2 ARG 13 HB2 ARG 1 1.621 0.713 -2.401 73 HB3 ARG 13 HB1 ARG 1 0.922 -0.896 -2.280 74 HG2 ARG 13 HG2 ARG 1 -1.241 0.640 -2.962 75 HG3 ARG 13 HG1 ARG 1 0.075 1.404 -3.853 76 HD2 ARG 13 HD2 ARG 1 0.445 -1.354 -4.170 77 HD3 ARG 13 HD1 ARG 1 -1.286 -1.082 -4.366 78 HE ARG 13 HE ARG 1 -0.184 0.840 -5.914 79 HH11 ARG 13 HH11 ARG 1 0.275 -2.614 -5.718 80 HH12 ARG 13 HH12 ARG 1 0.676 -2.781 -7.394 81 HH21 ARG 13 HH21 ARG 1 0.343 0.622 -8.118 82 HH22 ARG 13 HH22 ARG 1 0.716 -0.944 -8.757 83 H ILE 14 HN ILE 1 1.456 2.396 0.226 84 HA ILE 14 HA ILE 1 -0.670 4.360 0.051 85 HB ILE 14 HB ILE 1 0.986 5.857 1.202 86 HG12 ILE 14 HG12 ILE 1 2.618 3.343 1.554 87 HG13 ILE 14 HG11 ILE 1 2.976 4.531 0.305 88 HG21 ILE 14 HG21 ILE 1 0.949 4.481 3.350 89 HG22 ILE 14 HG22 ILE 1 0.147 3.234 2.395 90 HG23 ILE 14 HG23 ILE 1 -0.600 4.820 2.580 91 HD11 ILE 14 HD11 ILE 1 4.354 5.315 1.906 92 HD12 ILE 14 HD12 ILE 1 3.379 4.662 3.223 93 HD13 ILE 14 HD13 ILE 1 2.890 6.154 2.419 94 H LEU 15 HN LEU 1 2.415 3.672 -1.465 95 HA LEU 15 HA LEU 1 2.179 6.110 -3.083 96 HB2 LEU 15 HB2 LEU 1 4.331 5.328 -1.787 97 HB3 LEU 15 HB1 LEU 1 4.553 4.302 -3.191 98 HG LEU 15 HG LEU 1 5.808 6.434 -3.322 99 HD11 LEU 15 HD11 LEU 1 3.633 6.128 -5.387 100 HD12 LEU 15 HD12 LEU 1 5.156 5.239 -5.351 101 HD13 LEU 15 HD13 LEU 1 5.160 6.985 -5.602 102 HD21 LEU 15 HD21 LEU 1 4.788 8.515 -3.408 103 HD22 LEU 15 HD22 LEU 1 3.880 7.689 -2.142 104 HD23 LEU 15 HD23 LEU 1 3.200 7.834 -3.762 105 H ALA 16 HN ALA 1 1.182 5.876 -4.963 106 HA ALA 16 HA ALA 1 1.461 3.318 -6.401 107 HB1 ALA 16 HB1 ALA 1 -0.701 3.554 -7.259 108 HB2 ALA 16 HB2 ALA 1 -0.774 5.269 -6.853 109 HB3 ALA 16 HB3 ALA 1 -0.848 4.056 -5.575 110 H GLY 17 HN GLY 1 3.511 4.286 -7.198 111 HA2 GLY 17 HA2 GLY 1 4.392 4.815 -9.347 112 HA3 GLY 17 HA1 GLY 1 2.967 5.795 -9.657 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 -0.131 -2.903 -1.094 2 HA2 GLY 1 HA2 GLY 1 2.674 -3.210 -0.233 3 HA3 GLY 1 HA1 GLY 1 1.762 -1.720 -0.055 4 HA PRO 2 HA PRO 2 1.375 -4.351 3.809 5 HB2 PRO 2 HB2 PRO 2 2.698 -2.751 5.540 6 HB3 PRO 2 HB1 PRO 2 3.516 -3.967 4.554 7 HG2 PRO 2 HG2 PRO 2 3.310 -1.014 4.132 8 HG3 PRO 2 HG1 PRO 2 4.700 -2.087 3.895 9 HD2 PRO 2 HD2 PRO 2 3.096 -1.197 1.862 10 HD3 PRO 2 HD1 PRO 2 4.012 -2.715 1.805 11 H LYS 3 HN LYS 3 1.725 -1.142 5.144 12 HA LYS 3 HA LYS 3 -1.111 -1.140 5.785 13 HB2 LYS 3 HB2 LYS 3 1.189 -0.347 7.157 14 HB3 LYS 3 HB1 LYS 3 0.375 1.158 6.752 15 HG2 LYS 3 HG2 LYS 3 -1.486 0.650 8.015 16 HG3 LYS 3 HG1 LYS 3 -1.174 -1.086 7.964 17 HD2 LYS 3 HD2 LYS 3 0.860 0.619 9.284 18 HD3 LYS 3 HD1 LYS 3 -0.679 0.407 10.121 19 HE2 LYS 3 HE2 LYS 3 0.154 -1.504 10.909 20 HE3 LYS 3 HE1 LYS 3 -0.030 -2.146 9.278 21 HZ1 LYS 3 HZ1 LYS 3 2.406 -0.810 10.328 22 HZ2 LYS 3 HZ2 LYS 3 2.227 -1.476 8.784 23 HZ3 LYS 3 HZ3 LYS 3 2.209 -2.481 10.144 24 H GLY 4 HN GLY 4 -1.991 -0.636 3.736 25 HA2 GLY 4 HA2 GLY 4 -1.898 2.228 3.148 26 HA3 GLY 4 HA1 GLY 4 -1.475 1.128 1.845 27 H ASP 5 HN ASP 5 -3.241 1.925 0.622 28 HA ASP 5 HA ASP 5 -5.873 1.006 1.579 29 HB2 ASP 5 HB2 ASP 5 -6.785 2.718 -0.067 30 HB3 ASP 5 HB1 ASP 5 -5.993 3.361 1.369 31 H PHE 6 HN PHE 6 -3.471 0.672 -0.842 32 HA PHE 6 HA PHE 6 -5.347 -0.732 -2.618 33 HB2 PHE 6 HB2 PHE 6 -3.652 1.178 -3.353 34 HB3 PHE 6 HB1 PHE 6 -2.531 -0.177 -3.432 35 HD1 PHE 6 HD1 PHE 6 -4.930 1.684 -5.197 36 HD2 PHE 6 HD2 PHE 6 -3.387 -2.259 -4.766 37 HE1 PHE 6 HE1 PHE 6 -5.795 1.106 -7.427 38 HE2 PHE 6 HE2 PHE 6 -4.248 -2.844 -6.995 39 HZ PHE 6 HZ PHE 6 -5.453 -1.160 -8.329 40 HA PRO 7 HA PRO 7 -3.596 -4.361 -0.444 41 HB2 PRO 7 HB2 PRO 7 -5.360 -5.563 -2.536 42 HB3 PRO 7 HB1 PRO 7 -5.187 -5.990 -0.829 43 HG2 PRO 7 HG2 PRO 7 -7.285 -4.585 -1.663 44 HG3 PRO 7 HG1 PRO 7 -6.502 -4.217 -0.115 45 HD2 PRO 7 HD2 PRO 7 -6.379 -2.743 -2.699 46 HD3 PRO 7 HD1 PRO 7 -6.308 -2.123 -1.038 47 H ASP 8 HN ASP 8 -1.535 -4.713 -1.033 48 HA ASP 8 HA ASP 8 -1.060 -5.823 -3.705 49 HB2 ASP 8 HB2 ASP 8 0.787 -4.460 -4.155 50 HB3 ASP 8 HB1 ASP 8 -0.379 -3.343 -3.457 51 H VAL 9 HN VAL 9 0.198 -5.367 -0.425 52 HA VAL 9 HA VAL 9 1.033 -8.130 -0.341 53 HB VAL 9 HB VAL 9 3.101 -5.957 0.039 54 HG11 VAL 9 HG11 VAL 9 3.924 -7.535 1.435 55 HG12 VAL 9 HG12 VAL 9 4.500 -8.245 -0.073 56 HG13 VAL 9 HG13 VAL 9 3.016 -8.840 0.671 57 HG21 VAL 9 HG21 VAL 9 4.198 -7.041 -1.930 58 HG22 VAL 9 HG22 VAL 9 2.690 -6.206 -2.303 59 HG23 VAL 9 HG23 VAL 9 2.716 -7.964 -2.175 60 H GLY 10 HN GLY 1 -0.932 -7.285 1.140 61 HA2 GLY 10 HA2 GLY 1 -0.649 -7.921 3.669 62 HA3 GLY 10 HA1 GLY 1 0.101 -6.332 3.711 63 H ASP 11 HN ASP 1 -1.162 -4.577 3.934 64 HA ASP 11 HA ASP 1 -4.064 -5.033 3.992 65 HB2 ASP 11 HB2 ASP 1 -2.208 -3.423 5.608 66 HB3 ASP 11 HB1 ASP 1 -3.692 -2.584 5.164 67 H GLY 12 HN GLY 1 -1.547 -3.068 2.567 68 HA2 GLY 12 HA2 GLY 1 -2.846 -2.426 0.251 69 HA3 GLY 12 HA1 GLY 1 -3.341 -1.169 1.374 70 H ARG 13 HN ARG 1 -1.933 -0.597 -0.948 71 HA ARG 13 HA ARG 1 0.786 -0.007 -0.003 72 HB2 ARG 13 HB2 ARG 1 0.256 -1.248 -2.241 73 HB3 ARG 13 HB1 ARG 1 -0.108 0.365 -2.840 74 HG2 ARG 13 HG2 ARG 1 2.110 1.104 -2.455 75 HG3 ARG 13 HG1 ARG 1 2.504 -0.351 -1.538 76 HD2 ARG 13 HD2 ARG 1 3.472 -0.715 -3.632 77 HD3 ARG 13 HD1 ARG 1 1.966 -1.628 -3.689 78 HE ARG 13 HE ARG 1 2.624 0.768 -5.193 79 HH11 ARG 13 HH11 ARG 1 0.146 -1.491 -4.209 80 HH12 ARG 13 HH12 ARG 1 -0.926 -1.064 -5.499 81 HH21 ARG 13 HH21 ARG 1 1.210 1.326 -6.886 82 HH22 ARG 13 HH22 ARG 1 -0.324 0.533 -7.017 83 H ILE 14 HN ILE 1 1.695 2.100 -0.781 84 HA ILE 14 HA ILE 1 -0.279 4.225 -1.101 85 HB ILE 14 HB ILE 1 1.133 5.548 0.664 86 HG12 ILE 14 HG12 ILE 1 1.445 2.710 1.671 87 HG13 ILE 14 HG11 ILE 1 2.754 3.694 1.023 88 HG21 ILE 14 HG21 ILE 1 -0.451 4.250 2.443 89 HG22 ILE 14 HG22 ILE 1 -1.203 3.793 0.915 90 HG23 ILE 14 HG23 ILE 1 -1.010 5.496 1.327 91 HD11 ILE 14 HD11 ILE 1 1.370 3.849 3.631 92 HD12 ILE 14 HD12 ILE 1 1.918 5.360 2.905 93 HD13 ILE 14 HD13 ILE 1 3.074 4.069 3.231 94 H LEU 15 HN LEU 1 1.714 3.055 -2.836 95 HA LEU 15 HA LEU 1 3.313 5.467 -3.345 96 HB2 LEU 15 HB2 LEU 1 4.234 2.648 -3.087 97 HB3 LEU 15 HB1 LEU 1 5.000 3.651 -4.305 98 HG LEU 15 HG LEU 1 4.845 4.374 -1.379 99 HD11 LEU 15 HD11 LEU 1 6.800 3.330 -0.977 100 HD12 LEU 15 HD12 LEU 1 7.422 3.636 -2.598 101 HD13 LEU 15 HD13 LEU 1 6.291 2.311 -2.324 102 HD21 LEU 15 HD21 LEU 1 5.223 6.043 -3.459 103 HD22 LEU 15 HD22 LEU 1 6.882 5.522 -3.171 104 HD23 LEU 15 HD23 LEU 1 5.956 6.273 -1.872 105 H ALA 16 HN ALA 1 2.033 6.178 -5.008 106 HA ALA 16 HA ALA 1 2.097 4.536 -7.441 107 HB1 ALA 16 HB1 ALA 1 -0.116 4.216 -6.577 108 HB2 ALA 16 HB2 ALA 1 -0.216 5.289 -7.973 109 HB3 ALA 16 HB3 ALA 1 -0.326 5.951 -6.342 110 H GLY 17 HN GLY 1 3.166 5.632 -8.942 111 HA2 GLY 17 HA2 GLY 1 3.240 8.558 -8.799 112 HA3 GLY 17 HA1 GLY 1 4.327 7.541 -9.734 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 -0.459 -2.287 -1.554 2 HA2 GLY 1 HA2 GLY 1 2.396 -2.816 -1.056 3 HA3 GLY 1 HA1 GLY 1 1.583 -1.306 -0.678 4 HA PRO 2 HA PRO 2 1.600 -4.069 3.088 5 HB2 PRO 2 HB2 PRO 2 3.093 -2.515 4.719 6 HB3 PRO 2 HB1 PRO 2 3.806 -3.681 3.601 7 HG2 PRO 2 HG2 PRO 2 3.542 -0.718 3.332 8 HG3 PRO 2 HG1 PRO 2 4.890 -1.772 2.873 9 HD2 PRO 2 HD2 PRO 2 3.021 -0.791 1.112 10 HD3 PRO 2 HD1 PRO 2 3.959 -2.273 0.849 11 H LYS 3 HN LYS 3 2.063 -0.896 4.479 12 HA LYS 3 HA LYS 3 -0.669 -0.965 5.466 13 HB2 LYS 3 HB2 LYS 3 1.836 -0.010 6.454 14 HB3 LYS 3 HB1 LYS 3 0.709 1.338 6.401 15 HG2 LYS 3 HG2 LYS 3 -0.293 0.620 8.235 16 HG3 LYS 3 HG1 LYS 3 -0.626 -0.939 7.480 17 HD2 LYS 3 HD2 LYS 3 0.746 -1.814 9.011 18 HD3 LYS 3 HD1 LYS 3 2.063 -1.085 8.090 19 HE2 LYS 3 HE2 LYS 3 2.559 -0.052 10.018 20 HE3 LYS 3 HE1 LYS 3 1.223 1.019 9.599 21 HZ1 LYS 3 HZ1 LYS 3 -0.086 -0.952 10.812 22 HZ2 LYS 3 HZ2 LYS 3 0.498 0.411 11.624 23 HZ3 LYS 3 HZ3 LYS 3 1.383 -1.030 11.649 24 H GLY 4 HN GLY 4 -1.814 -0.413 3.567 25 HA2 GLY 4 HA2 GLY 4 -1.780 2.470 3.029 26 HA3 GLY 4 HA1 GLY 4 -1.618 1.374 1.667 27 H ASP 5 HN ASP 5 -3.550 2.243 0.781 28 HA ASP 5 HA ASP 5 -6.001 1.422 2.193 29 HB2 ASP 5 HB2 ASP 5 -5.779 3.496 0.007 30 HB3 ASP 5 HB1 ASP 5 -7.183 3.158 1.015 31 H PHE 6 HN PHE 6 -4.099 1.017 -0.657 32 HA PHE 6 HA PHE 6 -6.257 -0.560 -1.894 33 HB2 PHE 6 HB2 PHE 6 -3.804 0.489 -3.303 34 HB3 PHE 6 HB1 PHE 6 -5.274 -0.154 -4.027 35 HD1 PHE 6 HD1 PHE 6 -6.951 1.286 -4.702 36 HD2 PHE 6 HD2 PHE 6 -4.054 2.636 -1.893 37 HE1 PHE 6 HE1 PHE 6 -7.878 3.561 -4.845 38 HE2 PHE 6 HE2 PHE 6 -4.976 4.914 -2.030 39 HZ PHE 6 HZ PHE 6 -6.891 5.378 -3.508 40 HA PRO 7 HA PRO 7 -3.645 -3.938 -0.252 41 HB2 PRO 7 HB2 PRO 7 -5.755 -5.354 -1.826 42 HB3 PRO 7 HB1 PRO 7 -5.108 -5.727 -0.224 43 HG2 PRO 7 HG2 PRO 7 -7.479 -4.552 -0.479 44 HG3 PRO 7 HG1 PRO 7 -6.363 -4.073 0.813 45 HD2 PRO 7 HD2 PRO 7 -7.063 -2.655 -1.708 46 HD3 PRO 7 HD1 PRO 7 -6.624 -1.991 -0.122 47 H ASP 8 HN ASP 8 -1.783 -4.229 -1.312 48 HA ASP 8 HA ASP 8 -1.912 -5.120 -4.114 49 HB2 ASP 8 HB2 ASP 8 -0.066 -3.785 -4.730 50 HB3 ASP 8 HB1 ASP 8 -1.090 -2.720 -3.776 51 H VAL 9 HN VAL 9 0.012 -5.081 -1.136 52 HA VAL 9 HA VAL 9 0.675 -7.863 -1.487 53 HB VAL 9 HB VAL 9 2.412 -6.777 -2.861 54 HG11 VAL 9 HG11 VAL 9 3.607 -4.999 -2.219 55 HG12 VAL 9 HG12 VAL 9 3.887 -5.654 -0.605 56 HG13 VAL 9 HG13 VAL 9 2.384 -4.802 -0.964 57 HG21 VAL 9 HG21 VAL 9 3.409 -8.669 -2.188 58 HG22 VAL 9 HG22 VAL 9 2.929 -8.437 -0.507 59 HG23 VAL 9 HG23 VAL 9 4.357 -7.616 -1.137 60 H GLY 10 HN GLY 1 -0.830 -6.862 0.476 61 HA2 GLY 10 HA2 GLY 1 0.137 -7.798 2.819 62 HA3 GLY 10 HA1 GLY 1 0.757 -6.154 2.787 63 H ASP 11 HN ASP 1 -0.592 -4.464 3.228 64 HA ASP 11 HA ASP 1 -3.409 -5.134 3.768 65 HB2 ASP 11 HB2 ASP 1 -1.805 -3.136 5.363 66 HB3 ASP 11 HB1 ASP 1 -3.401 -3.781 5.733 67 H GLY 12 HN GLY 1 -1.539 -3.505 1.703 68 HA2 GLY 12 HA2 GLY 1 -2.991 -2.128 0.157 69 HA3 GLY 12 HA1 GLY 1 -3.334 -1.165 1.585 70 H ARG 13 HN ARG 1 -2.181 -0.281 -0.909 71 HA ARG 13 HA ARG 1 0.556 0.412 -0.088 72 HB2 ARG 13 HB2 ARG 1 0.660 1.255 -2.535 73 HB3 ARG 13 HB1 ARG 1 0.707 -0.476 -2.237 74 HG2 ARG 13 HG2 ARG 1 -1.322 -0.836 -3.175 75 HG3 ARG 13 HG1 ARG 1 -1.954 0.734 -2.675 76 HD2 ARG 13 HD2 ARG 1 0.217 0.647 -4.710 77 HD3 ARG 13 HD1 ARG 1 -1.419 0.212 -5.202 78 HE ARG 13 HE ARG 1 -1.261 2.691 -3.756 79 HH11 ARG 13 HH11 ARG 1 -1.045 1.190 -6.899 80 HH12 ARG 13 HH12 ARG 1 -1.433 2.643 -7.758 81 HH21 ARG 13 HH21 ARG 1 -1.771 4.603 -4.883 82 HH22 ARG 13 HH22 ARG 1 -1.844 4.581 -6.613 83 H ILE 14 HN ILE 1 1.274 2.594 -0.255 84 HA ILE 14 HA ILE 1 -0.919 4.546 -0.008 85 HB ILE 14 HB ILE 1 1.840 5.052 1.050 86 HG12 ILE 14 HG12 ILE 1 0.442 4.283 3.272 87 HG13 ILE 14 HG11 ILE 1 -0.139 3.127 2.077 88 HG21 ILE 14 HG21 ILE 1 -0.807 5.968 2.132 89 HG22 ILE 14 HG22 ILE 1 0.030 6.822 0.836 90 HG23 ILE 14 HG23 ILE 1 0.794 6.651 2.417 91 HD11 ILE 14 HD11 ILE 1 2.073 2.788 3.574 92 HD12 ILE 14 HD12 ILE 1 2.769 3.517 2.126 93 HD13 ILE 14 HD13 ILE 1 1.817 2.038 1.998 94 H LEU 15 HN LEU 1 2.096 3.803 -1.593 95 HA LEU 15 HA LEU 1 1.972 6.361 -3.040 96 HB2 LEU 15 HB2 LEU 1 4.300 4.475 -3.148 97 HB3 LEU 15 HB1 LEU 1 4.267 6.197 -3.468 98 HG LEU 15 HG LEU 1 5.401 5.996 -1.430 99 HD11 LEU 15 HD11 LEU 1 2.793 6.418 -0.140 100 HD12 LEU 15 HD12 LEU 1 3.116 7.427 -1.550 101 HD13 LEU 15 HD13 LEU 1 4.225 7.446 -0.178 102 HD21 LEU 15 HD21 LEU 1 4.432 3.569 -1.174 103 HD22 LEU 15 HD22 LEU 1 3.281 4.376 -0.110 104 HD23 LEU 15 HD23 LEU 1 5.009 4.468 0.229 105 H ALA 16 HN ALA 1 2.292 6.361 -5.330 106 HA ALA 16 HA ALA 1 1.403 3.855 -6.598 107 HB1 ALA 16 HB1 ALA 1 -0.207 5.715 -6.736 108 HB2 ALA 16 HB2 ALA 1 0.368 5.203 -8.322 109 HB3 ALA 16 HB3 ALA 1 1.003 6.675 -7.588 110 H GLY 17 HN GLY 1 3.789 3.366 -6.518 111 HA2 GLY 17 HA2 GLY 1 4.964 4.186 -9.068 112 HA3 GLY 17 HA1 GLY 1 5.907 4.486 -7.616 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 0.382 -2.977 -0.794 2 HA2 GLY 1 HA2 GLY 1 3.079 -3.617 -0.091 3 HA3 GLY 1 HA1 GLY 1 2.491 -1.972 0.088 4 HA PRO 2 HA PRO 2 1.340 -4.262 3.921 5 HB2 PRO 2 HB2 PRO 2 2.556 -2.650 5.707 6 HB3 PRO 2 HB1 PRO 2 3.416 -3.934 4.853 7 HG2 PRO 2 HG2 PRO 2 3.440 -0.996 4.372 8 HG3 PRO 2 HG1 PRO 2 4.749 -2.175 4.203 9 HD2 PRO 2 HD2 PRO 2 3.216 -1.143 2.120 10 HD3 PRO 2 HD1 PRO 2 4.206 -2.612 2.044 11 H LYS 3 HN LYS 3 1.713 -1.003 5.123 12 HA LYS 3 HA LYS 3 -1.167 -0.839 5.477 13 HB2 LYS 3 HB2 LYS 3 0.854 -0.224 7.153 14 HB3 LYS 3 HB1 LYS 3 0.576 1.355 6.432 15 HG2 LYS 3 HG2 LYS 3 -0.808 1.420 8.263 16 HG3 LYS 3 HG1 LYS 3 -1.915 0.883 6.999 17 HD2 LYS 3 HD2 LYS 3 -2.359 -0.555 8.787 18 HD3 LYS 3 HD1 LYS 3 -1.294 -1.495 7.740 19 HE2 LYS 3 HE2 LYS 3 -0.519 -1.795 9.965 20 HE3 LYS 3 HE1 LYS 3 0.624 -0.719 9.163 21 HZ1 LYS 3 HZ1 LYS 3 0.062 1.003 10.478 22 HZ2 LYS 3 HZ2 LYS 3 -0.425 -0.216 11.545 23 HZ3 LYS 3 HZ3 LYS 3 -1.570 0.565 10.575 24 H GLY 4 HN GLY 4 -1.938 -0.340 3.422 25 HA2 GLY 4 HA2 GLY 4 -1.501 2.447 2.638 26 HA3 GLY 4 HA1 GLY 4 -1.190 1.207 1.433 27 H ASP 5 HN ASP 5 -2.818 2.053 0.086 28 HA ASP 5 HA ASP 5 -5.566 1.651 1.067 29 HB2 ASP 5 HB2 ASP 5 -4.737 3.326 -1.305 30 HB3 ASP 5 HB1 ASP 5 -6.311 3.287 -0.518 31 H PHE 6 HN PHE 6 -3.224 0.715 -1.303 32 HA PHE 6 HA PHE 6 -5.263 -0.876 -2.712 33 HB2 PHE 6 HB2 PHE 6 -2.558 -0.598 -3.896 34 HB3 PHE 6 HB1 PHE 6 -4.134 -0.603 -4.677 35 HD1 PHE 6 HD1 PHE 6 -5.443 1.454 -4.848 36 HD2 PHE 6 HD2 PHE 6 -1.543 1.435 -3.145 37 HE1 PHE 6 HE1 PHE 6 -5.336 3.902 -5.074 38 HE2 PHE 6 HE2 PHE 6 -1.429 3.882 -3.368 39 HZ PHE 6 HZ PHE 6 -3.327 5.119 -4.334 40 HA PRO 7 HA PRO 7 -3.284 -4.066 -0.030 41 HB2 PRO 7 HB2 PRO 7 -5.359 -5.523 -1.619 42 HB3 PRO 7 HB1 PRO 7 -4.938 -5.681 0.091 43 HG2 PRO 7 HG2 PRO 7 -7.102 -4.320 -0.651 44 HG3 PRO 7 HG1 PRO 7 -6.086 -3.758 0.690 45 HD2 PRO 7 HD2 PRO 7 -6.345 -2.684 -2.067 46 HD3 PRO 7 HD1 PRO 7 -5.941 -1.843 -0.558 47 H ASP 8 HN ASP 8 -1.291 -4.138 -1.098 48 HA ASP 8 HA ASP 8 -1.174 -5.546 -3.659 49 HB2 ASP 8 HB2 ASP 8 1.014 -4.681 -3.924 50 HB3 ASP 8 HB1 ASP 8 0.072 -3.361 -3.241 51 H VAL 9 HN VAL 9 0.181 -5.720 -0.383 52 HA VAL 9 HA VAL 9 0.403 -8.612 -0.670 53 HB VAL 9 HB VAL 9 2.612 -7.735 -1.350 54 HG11 VAL 9 HG11 VAL 9 3.808 -6.228 -0.186 55 HG12 VAL 9 HG12 VAL 9 3.346 -6.912 1.373 56 HG13 VAL 9 HG13 VAL 9 2.248 -5.819 0.529 57 HG21 VAL 9 HG21 VAL 9 3.780 -9.375 -0.270 58 HG22 VAL 9 HG22 VAL 9 2.134 -9.872 0.125 59 HG23 VAL 9 HG23 VAL 9 3.094 -8.981 1.306 60 H GLY 10 HN GLY 1 -1.439 -7.129 0.812 61 HA2 GLY 10 HA2 GLY 1 -1.621 -8.350 3.201 62 HA3 GLY 10 HA1 GLY 1 -0.533 -7.019 3.563 63 H ASP 11 HN ASP 1 -1.311 -4.894 3.526 64 HA ASP 11 HA ASP 1 -4.246 -4.707 3.627 65 HB2 ASP 11 HB2 ASP 1 -2.396 -3.993 5.539 66 HB3 ASP 11 HB1 ASP 1 -2.739 -2.457 4.749 67 H GLY 12 HN GLY 1 -1.346 -3.347 2.222 68 HA2 GLY 12 HA2 GLY 1 -2.114 -2.512 -0.138 69 HA3 GLY 12 HA1 GLY 1 -2.908 -1.288 0.840 70 H ARG 13 HN ARG 1 -1.178 -0.427 -1.007 71 HA ARG 13 HA ARG 1 1.256 0.242 0.514 72 HB2 ARG 13 HB2 ARG 1 2.307 0.690 -1.707 73 HB3 ARG 13 HB1 ARG 1 1.862 -0.990 -1.455 74 HG2 ARG 13 HG2 ARG 1 -0.283 -0.426 -2.724 75 HG3 ARG 13 HG1 ARG 1 0.554 1.047 -3.218 76 HD2 ARG 13 HD2 ARG 1 2.159 -1.367 -3.550 77 HD3 ARG 13 HD1 ARG 1 0.673 -1.382 -4.498 78 HE ARG 13 HE ARG 1 1.700 1.063 -5.014 79 HH11 ARG 13 HH11 ARG 1 3.036 -2.158 -5.163 80 HH12 ARG 13 HH12 ARG 1 4.131 -1.780 -6.450 81 HH21 ARG 13 HH21 ARG 1 3.139 1.562 -6.708 82 HH22 ARG 13 HH22 ARG 1 4.190 0.332 -7.327 83 H ILE 14 HN ILE 1 2.193 2.402 -0.068 84 HA ILE 14 HA ILE 1 0.024 4.365 -0.429 85 HB ILE 14 HB ILE 1 1.673 5.921 0.816 86 HG12 ILE 14 HG12 ILE 1 3.102 4.733 2.460 87 HG13 ILE 14 HG11 ILE 1 2.703 3.207 1.678 88 HG21 ILE 14 HG21 ILE 1 0.519 3.781 2.558 89 HG22 ILE 14 HG22 ILE 1 -0.533 4.825 1.602 90 HG23 ILE 14 HG23 ILE 1 0.550 5.527 2.804 91 HD11 ILE 14 HD11 ILE 1 4.062 5.495 0.282 92 HD12 ILE 14 HD12 ILE 1 3.842 3.848 -0.311 93 HD13 ILE 14 HD13 ILE 1 4.914 4.158 1.055 94 H LEU 15 HN LEU 1 1.464 3.219 -2.603 95 HA LEU 15 HA LEU 1 3.151 5.462 -3.485 96 HB2 LEU 15 HB2 LEU 1 4.286 3.320 -3.521 97 HB3 LEU 15 HB1 LEU 1 2.994 2.616 -4.475 98 HG LEU 15 HG LEU 1 3.584 3.982 -6.382 99 HD11 LEU 15 HD11 LEU 1 5.898 5.241 -6.014 100 HD12 LEU 15 HD12 LEU 1 5.253 5.386 -4.379 101 HD13 LEU 15 HD13 LEU 1 4.340 6.024 -5.746 102 HD21 LEU 15 HD21 LEU 1 5.288 2.660 -7.015 103 HD22 LEU 15 HD22 LEU 1 5.025 1.884 -5.453 104 HD23 LEU 15 HD23 LEU 1 6.285 3.105 -5.630 105 H ALA 16 HN ALA 1 2.076 6.899 -4.661 106 HA ALA 16 HA ALA 1 -0.244 6.086 -6.222 107 HB1 ALA 16 HB1 ALA 1 -0.954 8.230 -6.089 108 HB2 ALA 16 HB2 ALA 1 0.667 8.896 -6.289 109 HB3 ALA 16 HB3 ALA 1 0.158 8.270 -4.721 110 H GLY 17 HN GLY 1 1.844 4.894 -7.353 111 HA2 GLY 17 HA2 GLY 1 2.854 4.595 -9.394 112 HA3 GLY 17 HA1 GLY 1 1.851 5.907 -9.992 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 0.825 -1.997 -1.088 2 HA2 GLY 1 HA2 GLY 1 3.221 -3.105 0.175 3 HA3 GLY 1 HA1 GLY 1 2.515 -1.529 0.495 4 HA PRO 2 HA PRO 2 1.189 -4.400 3.872 5 HB2 PRO 2 HB2 PRO 2 2.244 -3.059 5.962 6 HB3 PRO 2 HB1 PRO 2 3.179 -4.209 5.003 7 HG2 PRO 2 HG2 PRO 2 3.217 -1.234 4.957 8 HG3 PRO 2 HG1 PRO 2 4.541 -2.382 4.707 9 HD2 PRO 2 HD2 PRO 2 3.150 -1.042 2.698 10 HD3 PRO 2 HD1 PRO 2 4.155 -2.485 2.473 11 H LYS 3 HN LYS 3 1.427 -1.329 5.535 12 HA LYS 3 HA LYS 3 -1.471 -1.258 5.746 13 HB2 LYS 3 HB2 LYS 3 0.409 -0.863 7.612 14 HB3 LYS 3 HB1 LYS 3 0.213 0.798 7.073 15 HG2 LYS 3 HG2 LYS 3 -2.354 -0.430 7.479 16 HG3 LYS 3 HG1 LYS 3 -1.351 -0.593 8.922 17 HD2 LYS 3 HD2 LYS 3 -1.701 2.021 7.473 18 HD3 LYS 3 HD1 LYS 3 -2.781 1.498 8.766 19 HE2 LYS 3 HE2 LYS 3 -0.033 1.194 9.565 20 HE3 LYS 3 HE1 LYS 3 -0.336 2.843 9.018 21 HZ1 LYS 3 HZ1 LYS 3 -1.938 1.402 11.063 22 HZ2 LYS 3 HZ2 LYS 3 -2.163 3.004 10.568 23 HZ3 LYS 3 HZ3 LYS 3 -0.754 2.565 11.394 24 H GLY 4 HN GLY 4 -2.115 -0.513 3.705 25 HA2 GLY 4 HA2 GLY 4 -1.752 2.368 3.353 26 HA3 GLY 4 HA1 GLY 4 -1.286 1.327 2.017 27 H ASP 5 HN ASP 5 -2.863 2.373 0.712 28 HA ASP 5 HA ASP 5 -5.643 1.646 1.361 29 HB2 ASP 5 HB2 ASP 5 -6.214 3.463 -0.332 30 HB3 ASP 5 HB1 ASP 5 -5.524 4.006 1.195 31 H PHE 6 HN PHE 6 -3.063 1.278 -0.898 32 HA PHE 6 HA PHE 6 -4.855 -0.071 -2.804 33 HB2 PHE 6 HB2 PHE 6 -2.017 0.871 -3.263 34 HB3 PHE 6 HB1 PHE 6 -3.124 0.238 -4.476 35 HD1 PHE 6 HD1 PHE 6 -5.602 1.637 -3.915 36 HD2 PHE 6 HD2 PHE 6 -1.594 3.063 -3.816 37 HE1 PHE 6 HE1 PHE 6 -6.407 3.917 -4.370 38 HE2 PHE 6 HE2 PHE 6 -2.391 5.347 -4.269 39 HZ PHE 6 HZ PHE 6 -4.801 5.776 -4.547 40 HA PRO 7 HA PRO 7 -3.117 -3.733 -0.639 41 HB2 PRO 7 HB2 PRO 7 -4.861 -4.903 -2.765 42 HB3 PRO 7 HB1 PRO 7 -4.702 -5.359 -1.065 43 HG2 PRO 7 HG2 PRO 7 -6.797 -3.945 -1.898 44 HG3 PRO 7 HG1 PRO 7 -6.035 -3.608 -0.333 45 HD2 PRO 7 HD2 PRO 7 -5.893 -2.075 -2.880 46 HD3 PRO 7 HD1 PRO 7 -5.833 -1.493 -1.205 47 H ASP 8 HN ASP 8 -1.031 -3.992 -1.246 48 HA ASP 8 HA ASP 8 -0.515 -4.769 -4.040 49 HB2 ASP 8 HB2 ASP 8 1.596 -3.720 -3.959 50 HB3 ASP 8 HB1 ASP 8 0.496 -2.582 -3.194 51 H VAL 9 HN VAL 9 0.433 -5.340 -0.672 52 HA VAL 9 HA VAL 9 0.800 -8.143 -1.225 53 HB VAL 9 HB VAL 9 2.999 -7.196 -1.878 54 HG11 VAL 9 HG11 VAL 9 4.238 -5.836 -0.584 55 HG12 VAL 9 HG12 VAL 9 3.790 -6.670 0.904 56 HG13 VAL 9 HG13 VAL 9 2.695 -5.484 0.194 57 HG21 VAL 9 HG21 VAL 9 4.082 -9.014 -1.101 58 HG22 VAL 9 HG22 VAL 9 2.487 -9.450 -0.488 59 HG23 VAL 9 HG23 VAL 9 3.661 -8.679 0.579 60 H GLY 10 HN GLY 1 -0.924 -6.574 0.450 61 HA2 GLY 10 HA2 GLY 1 -0.836 -8.073 2.813 62 HA3 GLY 10 HA1 GLY 1 -0.082 -6.519 3.138 63 H ASP 11 HN ASP 1 -1.337 -4.743 3.432 64 HA ASP 11 HA ASP 1 -4.245 -5.174 3.278 65 HB2 ASP 11 HB2 ASP 1 -2.802 -3.172 5.022 66 HB3 ASP 11 HB1 ASP 1 -4.502 -3.624 5.098 67 H GLY 12 HN GLY 1 -1.606 -3.087 2.361 68 HA2 GLY 12 HA2 GLY 1 -2.832 -1.968 0.171 69 HA3 GLY 12 HA1 GLY 1 -3.231 -0.897 1.502 70 H ARG 13 HN ARG 1 -1.794 -0.015 -0.673 71 HA ARG 13 HA ARG 1 0.960 0.224 0.328 72 HB2 ARG 13 HB2 ARG 1 0.167 -0.531 -2.149 73 HB3 ARG 13 HB1 ARG 1 0.303 1.204 -2.385 74 HG2 ARG 13 HG2 ARG 1 2.626 0.593 -1.060 75 HG3 ARG 13 HG1 ARG 1 2.379 -0.814 -2.097 76 HD2 ARG 13 HD2 ARG 1 1.802 1.249 -3.790 77 HD3 ARG 13 HD1 ARG 1 3.077 1.945 -2.792 78 HE ARG 13 HE ARG 1 3.335 -0.185 -4.718 79 HH11 ARG 13 HH11 ARG 1 4.746 1.365 -1.924 80 HH12 ARG 13 HH12 ARG 1 6.347 0.800 -2.264 81 HH21 ARG 13 HH21 ARG 1 5.443 -0.927 -5.165 82 HH22 ARG 13 HH22 ARG 1 6.743 -0.500 -4.103 83 H ILE 14 HN ILE 1 1.960 2.418 -0.439 84 HA ILE 14 HA ILE 1 0.082 4.553 0.340 85 HB ILE 14 HB ILE 1 3.079 4.604 0.683 86 HG12 ILE 14 HG12 ILE 1 2.104 2.828 2.071 87 HG13 ILE 14 HG11 ILE 1 2.669 4.167 3.065 88 HG21 ILE 14 HG21 ILE 1 0.864 6.367 1.716 89 HG22 ILE 14 HG22 ILE 1 2.119 6.801 0.555 90 HG23 ILE 14 HG23 ILE 1 2.547 6.469 2.234 91 HD11 ILE 14 HD11 ILE 1 0.655 4.451 3.934 92 HD12 ILE 14 HD12 ILE 1 0.166 2.965 3.120 93 HD13 ILE 14 HD13 ILE 1 -0.091 4.525 2.339 94 H LEU 15 HN LEU 1 2.761 3.683 -1.785 95 HA LEU 15 HA LEU 1 2.046 5.971 -3.500 96 HB2 LEU 15 HB2 LEU 1 4.407 5.763 -2.238 97 HB3 LEU 15 HB1 LEU 1 4.779 4.836 -3.679 98 HG LEU 15 HG LEU 1 5.490 7.088 -4.043 99 HD11 LEU 15 HD11 LEU 1 4.487 7.508 -6.089 100 HD12 LEU 15 HD12 LEU 1 2.901 6.972 -5.537 101 HD13 LEU 15 HD13 LEU 1 4.173 5.790 -5.846 102 HD21 LEU 15 HD21 LEU 1 4.315 8.982 -3.540 103 HD22 LEU 15 HD22 LEU 1 3.697 7.901 -2.291 104 HD23 LEU 15 HD23 LEU 1 2.748 8.200 -3.748 105 H ALA 16 HN ALA 1 0.883 5.104 -5.106 106 HA ALA 16 HA ALA 1 2.097 2.905 -6.630 107 HB1 ALA 16 HB1 ALA 1 0.364 1.909 -5.251 108 HB2 ALA 16 HB2 ALA 1 -0.113 1.882 -6.949 109 HB3 ALA 16 HB3 ALA 1 -0.813 3.075 -5.856 110 H GLY 17 HN GLY 1 2.568 3.752 -8.552 111 HA2 GLY 17 HA2 GLY 1 2.058 4.547 -10.684 112 HA3 GLY 17 HA1 GLY 1 0.459 4.993 -10.109 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 0.170 -2.373 -1.006 2 HA2 GLY 1 HA2 GLY 1 2.805 -3.048 0.044 3 HA3 GLY 1 HA1 GLY 1 1.916 -1.559 0.321 4 HA PRO 2 HA PRO 2 1.221 -4.409 3.926 5 HB2 PRO 2 HB2 PRO 2 2.375 -2.930 5.862 6 HB3 PRO 2 HB1 PRO 2 3.302 -4.028 4.835 7 HG2 PRO 2 HG2 PRO 2 3.051 -1.060 4.690 8 HG3 PRO 2 HG1 PRO 2 4.464 -2.084 4.393 9 HD2 PRO 2 HD2 PRO 2 2.848 -0.992 2.426 10 HD3 PRO 2 HD1 PRO 2 3.910 -2.395 2.208 11 H LYS 3 HN LYS 3 1.385 -1.310 5.523 12 HA LYS 3 HA LYS 3 -1.494 -1.404 5.915 13 HB2 LYS 3 HB2 LYS 3 0.354 -0.968 7.726 14 HB3 LYS 3 HB1 LYS 3 0.266 0.686 7.134 15 HG2 LYS 3 HG2 LYS 3 -1.201 0.620 8.949 16 HG3 LYS 3 HG1 LYS 3 -2.243 0.523 7.528 17 HD2 LYS 3 HD2 LYS 3 -3.149 -1.181 8.734 18 HD3 LYS 3 HD1 LYS 3 -1.867 -2.083 7.925 19 HE2 LYS 3 HE2 LYS 3 -1.958 -2.583 10.322 20 HE3 LYS 3 HE1 LYS 3 -0.431 -1.827 9.868 21 HZ1 LYS 3 HZ1 LYS 3 -1.759 -1.024 11.952 22 HZ2 LYS 3 HZ2 LYS 3 -2.615 -0.114 10.812 23 HZ3 LYS 3 HZ3 LYS 3 -0.943 0.088 10.970 24 H GLY 4 HN GLY 4 -2.323 -0.702 3.948 25 HA2 GLY 4 HA2 GLY 4 -2.164 2.187 3.559 26 HA3 GLY 4 HA1 GLY 4 -1.685 1.181 2.201 27 H ASP 5 HN ASP 5 -3.419 2.212 1.033 28 HA ASP 5 HA ASP 5 -6.090 1.226 1.781 29 HB2 ASP 5 HB2 ASP 5 -5.151 3.698 0.388 30 HB3 ASP 5 HB1 ASP 5 -6.741 3.054 -0.012 31 H PHE 6 HN PHE 6 -3.594 1.053 -0.577 32 HA PHE 6 HA PHE 6 -5.395 -0.366 -2.426 33 HB2 PHE 6 HB2 PHE 6 -3.123 1.460 -2.840 34 HB3 PHE 6 HB1 PHE 6 -3.103 0.026 -3.862 35 HD1 PHE 6 HD1 PHE 6 -3.809 3.250 -4.106 36 HD2 PHE 6 HD2 PHE 6 -5.860 -0.460 -4.487 37 HE1 PHE 6 HE1 PHE 6 -5.438 4.309 -5.616 38 HE2 PHE 6 HE2 PHE 6 -7.491 0.592 -5.998 39 HZ PHE 6 HZ PHE 6 -7.281 2.980 -6.565 40 HA PRO 7 HA PRO 7 -3.239 -3.875 -0.373 41 HB2 PRO 7 HB2 PRO 7 -5.043 -5.140 -2.396 42 HB3 PRO 7 HB1 PRO 7 -4.713 -5.623 -0.728 43 HG2 PRO 7 HG2 PRO 7 -6.965 -4.346 -1.347 44 HG3 PRO 7 HG1 PRO 7 -6.101 -3.991 0.160 45 HD2 PRO 7 HD2 PRO 7 -6.301 -2.383 -2.331 46 HD3 PRO 7 HD1 PRO 7 -6.100 -1.847 -0.651 47 H ASP 8 HN ASP 8 -1.308 -4.576 -1.011 48 HA ASP 8 HA ASP 8 -0.876 -5.235 -3.827 49 HB2 ASP 8 HB2 ASP 8 1.096 -3.949 -4.044 50 HB3 ASP 8 HB1 ASP 8 -0.077 -2.868 -3.302 51 H VAL 9 HN VAL 9 0.476 -5.285 -0.547 52 HA VAL 9 HA VAL 9 1.237 -8.067 -0.938 53 HB VAL 9 HB VAL 9 3.238 -6.777 -1.600 54 HG11 VAL 9 HG11 VAL 9 3.850 -5.918 1.140 55 HG12 VAL 9 HG12 VAL 9 2.546 -5.028 0.355 56 HG13 VAL 9 HG13 VAL 9 4.138 -5.106 -0.399 57 HG21 VAL 9 HG21 VAL 9 4.531 -7.798 0.652 58 HG22 VAL 9 HG22 VAL 9 4.237 -8.628 -0.876 59 HG23 VAL 9 HG23 VAL 9 3.092 -8.798 0.454 60 H GLY 10 HN GLY 1 -0.819 -6.913 0.609 61 HA2 GLY 10 HA2 GLY 1 -0.714 -8.248 2.973 62 HA3 GLY 10 HA1 GLY 1 0.051 -6.711 3.349 63 H ASP 11 HN ASP 1 -1.183 -4.810 3.324 64 HA ASP 11 HA ASP 1 -4.096 -5.262 3.308 65 HB2 ASP 11 HB2 ASP 1 -2.374 -4.137 5.323 66 HB3 ASP 11 HB1 ASP 1 -3.534 -2.923 4.792 67 H GLY 12 HN GLY 1 -1.491 -3.014 2.523 68 HA2 GLY 12 HA2 GLY 1 -2.577 -2.105 0.150 69 HA3 GLY 12 HA1 GLY 1 -3.165 -1.011 1.391 70 H ARG 13 HN ARG 1 -1.540 -0.190 -0.735 71 HA ARG 13 HA ARG 1 1.029 0.349 0.601 72 HB2 ARG 13 HB2 ARG 1 1.765 0.987 -1.770 73 HB3 ARG 13 HB1 ARG 1 1.536 -0.721 -1.426 74 HG2 ARG 13 HG2 ARG 1 -0.244 -0.906 -2.810 75 HG3 ARG 13 HG1 ARG 1 -0.796 0.741 -2.500 76 HD2 ARG 13 HD2 ARG 1 1.665 1.025 -3.783 77 HD3 ARG 13 HD1 ARG 1 0.849 -0.280 -4.642 78 HE ARG 13 HE ARG 1 0.125 2.505 -4.616 79 HH11 ARG 13 HH11 ARG 1 -1.015 -0.751 -5.149 80 HH12 ARG 13 HH12 ARG 1 -2.327 -0.258 -6.165 81 HH21 ARG 13 HH21 ARG 1 -1.601 3.154 -5.953 82 HH22 ARG 13 HH22 ARG 1 -2.660 1.957 -6.622 83 H ILE 14 HN ILE 1 1.980 2.509 -0.490 84 HA ILE 14 HA ILE 1 -0.085 4.569 -0.616 85 HB ILE 14 HB ILE 1 1.367 5.994 0.951 86 HG12 ILE 14 HG12 ILE 1 2.529 4.614 2.709 87 HG13 ILE 14 HG11 ILE 1 2.338 3.217 1.655 88 HG21 ILE 14 HG21 ILE 1 -0.057 5.529 2.682 89 HG22 ILE 14 HG22 ILE 1 0.074 3.784 2.467 90 HG23 ILE 14 HG23 ILE 1 -0.908 4.738 1.355 91 HD11 ILE 14 HD11 ILE 1 3.727 5.705 0.732 92 HD12 ILE 14 HD12 ILE 1 3.818 4.074 0.068 93 HD13 ILE 14 HD13 ILE 1 4.569 4.436 1.621 94 H LEU 15 HN LEU 1 1.870 3.353 -2.481 95 HA LEU 15 HA LEU 1 2.955 5.843 -3.504 96 HB2 LEU 15 HB2 LEU 1 5.201 5.100 -3.714 97 HB3 LEU 15 HB1 LEU 1 4.729 4.855 -2.044 98 HG LEU 15 HG LEU 1 4.943 2.721 -4.170 99 HD11 LEU 15 HD11 LEU 1 6.692 3.640 -1.947 100 HD12 LEU 15 HD12 LEU 1 7.118 3.075 -3.563 101 HD13 LEU 15 HD13 LEU 1 6.635 1.918 -2.322 102 HD21 LEU 15 HD21 LEU 1 4.647 1.262 -2.036 103 HD22 LEU 15 HD22 LEU 1 3.228 1.922 -2.850 104 HD23 LEU 15 HD23 LEU 1 3.847 2.696 -1.391 105 H ALA 16 HN ALA 1 2.456 5.945 -5.583 106 HA ALA 16 HA ALA 1 2.718 3.599 -7.280 107 HB1 ALA 16 HB1 ALA 1 0.351 3.694 -6.288 108 HB2 ALA 16 HB2 ALA 1 0.513 3.496 -8.033 109 HB3 ALA 16 HB3 ALA 1 0.109 5.075 -7.359 110 H GLY 17 HN GLY 1 1.579 4.488 -9.572 111 HA2 GLY 17 HA2 GLY 1 2.969 7.047 -10.086 112 HA3 GLY 17 HA1 GLY 1 3.022 5.696 -11.208 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 -0.191 -2.098 -1.810 2 HA2 GLY 1 HA2 GLY 1 2.309 -2.834 -1.132 3 HA3 GLY 1 HA1 GLY 1 1.378 -1.383 -0.794 4 HA PRO 2 HA PRO 2 1.766 -3.985 3.077 5 HB2 PRO 2 HB2 PRO 2 3.296 -2.310 4.551 6 HB3 PRO 2 HB1 PRO 2 3.980 -3.511 3.454 7 HG2 PRO 2 HG2 PRO 2 3.643 -0.573 3.073 8 HG3 PRO 2 HG1 PRO 2 4.966 -1.629 2.557 9 HD2 PRO 2 HD2 PRO 2 2.941 -0.733 0.913 10 HD3 PRO 2 HD1 PRO 2 3.913 -2.186 0.615 11 H LYS 3 HN LYS 3 2.196 -0.719 4.265 12 HA LYS 3 HA LYS 3 -0.449 -0.844 5.464 13 HB2 LYS 3 HB2 LYS 3 1.653 -0.212 6.742 14 HB3 LYS 3 HB1 LYS 3 1.631 1.305 5.853 15 HG2 LYS 3 HG2 LYS 3 0.473 2.014 7.642 16 HG3 LYS 3 HG1 LYS 3 -0.887 1.287 6.784 17 HD2 LYS 3 HD2 LYS 3 -1.225 0.060 8.618 18 HD3 LYS 3 HD1 LYS 3 0.227 -0.835 8.167 19 HE2 LYS 3 HE2 LYS 3 1.578 0.759 9.482 20 HE3 LYS 3 HE1 LYS 3 0.095 1.572 9.980 21 HZ1 LYS 3 HZ1 LYS 3 -0.448 -0.085 11.396 22 HZ2 LYS 3 HZ2 LYS 3 1.226 -0.325 11.415 23 HZ3 LYS 3 HZ3 LYS 3 0.244 -1.302 10.445 24 H GLY 4 HN GLY 4 -1.757 -0.459 3.630 25 HA2 GLY 4 HA2 GLY 4 -1.978 2.381 2.983 26 HA3 GLY 4 HA1 GLY 4 -1.718 1.285 1.636 27 H ASP 5 HN ASP 5 -3.766 2.050 0.820 28 HA ASP 5 HA ASP 5 -6.084 0.919 2.242 29 HB2 ASP 5 HB2 ASP 5 -7.424 2.523 0.814 30 HB3 ASP 5 HB1 ASP 5 -6.385 3.269 2.024 31 H PHE 6 HN PHE 6 -4.153 0.666 -0.564 32 HA PHE 6 HA PHE 6 -6.221 -0.918 -1.934 33 HB2 PHE 6 HB2 PHE 6 -3.658 0.176 -3.106 34 HB3 PHE 6 HB1 PHE 6 -4.990 -0.570 -3.983 35 HD1 PHE 6 HD1 PHE 6 -3.566 2.473 -2.901 36 HD2 PHE 6 HD2 PHE 6 -7.289 0.609 -3.780 37 HE1 PHE 6 HE1 PHE 6 -4.595 4.686 -3.213 38 HE2 PHE 6 HE2 PHE 6 -8.326 2.818 -4.095 39 HZ PHE 6 HZ PHE 6 -6.978 4.860 -3.812 40 HA PRO 7 HA PRO 7 -3.686 -4.262 -0.032 41 HB2 PRO 7 HB2 PRO 7 -5.824 -5.696 -1.554 42 HB3 PRO 7 HB1 PRO 7 -5.184 -6.022 0.061 43 HG2 PRO 7 HG2 PRO 7 -7.529 -4.801 -0.247 44 HG3 PRO 7 HG1 PRO 7 -6.408 -4.312 1.036 45 HD2 PRO 7 HD2 PRO 7 -7.079 -2.943 -1.517 46 HD3 PRO 7 HD1 PRO 7 -6.594 -2.254 0.045 47 H ASP 8 HN ASP 8 -1.829 -4.651 -1.065 48 HA ASP 8 HA ASP 8 -1.964 -5.724 -3.796 49 HB2 ASP 8 HB2 ASP 8 -0.176 -4.385 -4.562 50 HB3 ASP 8 HB1 ASP 8 -1.232 -3.277 -3.696 51 H VAL 9 HN VAL 9 0.023 -5.336 -0.884 52 HA VAL 9 HA VAL 9 0.812 -8.115 -1.039 53 HB VAL 9 HB VAL 9 2.502 -7.030 -2.459 54 HG11 VAL 9 HG11 VAL 9 2.302 -4.899 -0.802 55 HG12 VAL 9 HG12 VAL 9 3.639 -5.166 -1.921 56 HG13 VAL 9 HG13 VAL 9 3.801 -5.628 -0.226 57 HG21 VAL 9 HG21 VAL 9 4.055 -7.660 -0.021 58 HG22 VAL 9 HG22 VAL 9 4.200 -8.299 -1.658 59 HG23 VAL 9 HG23 VAL 9 2.930 -8.894 -0.589 60 H GLY 10 HN GLY 1 -0.777 -6.926 0.829 61 HA2 GLY 10 HA2 GLY 1 0.173 -7.722 3.246 62 HA3 GLY 10 HA1 GLY 1 0.757 -6.070 3.114 63 H ASP 11 HN ASP 1 -0.597 -4.418 3.560 64 HA ASP 11 HA ASP 1 -3.373 -5.138 4.225 65 HB2 ASP 11 HB2 ASP 1 -1.903 -2.713 5.252 66 HB3 ASP 11 HB1 ASP 1 -3.381 -3.434 5.879 67 H GLY 12 HN GLY 1 -1.349 -3.057 2.326 68 HA2 GLY 12 HA2 GLY 1 -3.111 -2.404 0.385 69 HA3 GLY 12 HA1 GLY 1 -3.476 -1.226 1.635 70 H ARG 13 HN ARG 1 -2.598 -0.474 -0.886 71 HA ARG 13 HA ARG 1 0.207 0.292 -0.497 72 HB2 ARG 13 HB2 ARG 1 -1.161 -0.642 -2.737 73 HB3 ARG 13 HB1 ARG 1 -0.973 1.080 -3.037 74 HG2 ARG 13 HG2 ARG 1 1.504 0.123 -2.074 75 HG3 ARG 13 HG1 ARG 1 0.942 -1.007 -3.307 76 HD2 ARG 13 HD2 ARG 1 1.467 1.939 -3.558 77 HD3 ARG 13 HD1 ARG 1 2.184 0.613 -4.471 78 HE ARG 13 HE ARG 1 -0.262 1.968 -5.045 79 HH11 ARG 13 HH11 ARG 1 1.375 -1.103 -5.314 80 HH12 ARG 13 HH12 ARG 1 0.450 -1.617 -6.684 81 HH21 ARG 13 HH21 ARG 1 -1.480 1.293 -6.845 82 HH22 ARG 13 HH22 ARG 1 -1.171 -0.257 -7.555 83 H ILE 14 HN ILE 1 0.719 2.539 -1.433 84 HA ILE 14 HA ILE 1 -1.400 4.489 -0.980 85 HB ILE 14 HB ILE 1 -0.390 4.210 1.232 86 HG12 ILE 14 HG12 ILE 1 0.180 6.563 1.650 87 HG13 ILE 14 HG11 ILE 1 0.400 6.823 -0.077 88 HG21 ILE 14 HG21 ILE 1 1.913 4.655 1.676 89 HG22 ILE 14 HG22 ILE 1 2.195 5.146 0.006 90 HG23 ILE 14 HG23 ILE 1 1.833 3.461 0.380 91 HD11 ILE 14 HD11 ILE 1 -1.740 7.676 0.682 92 HD12 ILE 14 HD12 ILE 1 -2.180 6.076 1.279 93 HD13 ILE 14 HD13 ILE 1 -1.960 6.342 -0.451 94 H LEU 15 HN LEU 1 2.027 3.971 -1.752 95 HA LEU 15 HA LEU 1 1.858 6.220 -3.648 96 HB2 LEU 15 HB2 LEU 1 3.851 5.475 -1.674 97 HB3 LEU 15 HB1 LEU 1 4.557 5.626 -3.272 98 HG LEU 15 HG LEU 1 4.774 7.730 -2.153 99 HD11 LEU 15 HD11 LEU 1 3.745 7.460 -4.621 100 HD12 LEU 15 HD12 LEU 1 4.139 9.017 -3.891 101 HD13 LEU 15 HD13 LEU 1 2.478 8.425 -3.864 102 HD21 LEU 15 HD21 LEU 1 2.977 7.388 -0.503 103 HD22 LEU 15 HD22 LEU 1 1.784 7.687 -1.766 104 HD23 LEU 15 HD23 LEU 1 2.890 8.970 -1.277 105 H ALA 16 HN ALA 1 1.862 5.672 -5.721 106 HA ALA 16 HA ALA 1 2.933 3.038 -6.479 107 HB1 ALA 16 HB1 ALA 1 0.792 2.926 -7.230 108 HB2 ALA 16 HB2 ALA 1 1.525 3.693 -8.638 109 HB3 ALA 16 HB3 ALA 1 0.660 4.670 -7.452 110 H GLY 17 HN GLY 1 4.564 5.437 -6.107 111 HA2 GLY 17 HA2 GLY 1 6.407 6.342 -7.147 112 HA3 GLY 17 HA1 GLY 1 6.107 5.251 -8.491 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 0.824 -2.071 -0.751 2 HA2 GLY 1 HA2 GLY 1 2.733 -3.537 0.480 3 HA3 GLY 1 HA1 GLY 1 2.191 -1.877 0.669 4 HA PRO 2 HA PRO 2 0.485 -4.508 4.135 5 HB2 PRO 2 HB2 PRO 2 1.766 -3.334 6.206 6 HB3 PRO 2 HB1 PRO 2 2.469 -4.662 5.278 7 HG2 PRO 2 HG2 PRO 2 3.031 -1.737 5.120 8 HG3 PRO 2 HG1 PRO 2 4.145 -3.105 4.978 9 HD2 PRO 2 HD2 PRO 2 3.131 -1.684 2.845 10 HD3 PRO 2 HD1 PRO 2 3.743 -3.345 2.747 11 H LYS 3 HN LYS 3 1.271 -1.502 5.748 12 HA LYS 3 HA LYS 3 -1.569 -0.914 5.949 13 HB2 LYS 3 HB2 LYS 3 0.329 -0.836 7.826 14 HB3 LYS 3 HB1 LYS 3 0.469 0.819 7.249 15 HG2 LYS 3 HG2 LYS 3 -1.674 1.375 7.930 16 HG3 LYS 3 HG1 LYS 3 -2.201 -0.309 7.982 17 HD2 LYS 3 HD2 LYS 3 -1.920 -0.023 10.209 18 HD3 LYS 3 HD1 LYS 3 -0.239 -0.392 9.814 19 HE2 LYS 3 HE2 LYS 3 -0.163 2.226 9.393 20 HE3 LYS 3 HE1 LYS 3 -1.506 2.197 10.535 21 HZ1 LYS 3 HZ1 LYS 3 -0.176 1.507 12.227 22 HZ2 LYS 3 HZ2 LYS 3 0.970 2.377 11.339 23 HZ3 LYS 3 HZ3 LYS 3 0.909 0.691 11.217 24 H GLY 4 HN GLY 4 -1.988 -0.151 3.826 25 HA2 GLY 4 HA2 GLY 4 -1.039 2.604 3.412 26 HA3 GLY 4 HA1 GLY 4 -0.952 1.449 2.092 27 H ASP 5 HN ASP 5 -2.769 0.955 0.942 28 HA ASP 5 HA ASP 5 -5.408 1.536 1.773 29 HB2 ASP 5 HB2 ASP 5 -3.918 3.707 0.535 30 HB3 ASP 5 HB1 ASP 5 -5.365 3.301 -0.382 31 H PHE 6 HN PHE 6 -3.167 1.091 -0.898 32 HA PHE 6 HA PHE 6 -5.246 -0.347 -2.397 33 HB2 PHE 6 HB2 PHE 6 -2.559 0.630 -3.384 34 HB3 PHE 6 HB1 PHE 6 -3.851 -0.056 -4.364 35 HD1 PHE 6 HD1 PHE 6 -2.311 2.788 -4.192 36 HD2 PHE 6 HD2 PHE 6 -6.202 1.339 -3.260 37 HE1 PHE 6 HE1 PHE 6 -3.230 5.043 -4.544 38 HE2 PHE 6 HE2 PHE 6 -7.129 3.591 -3.611 39 HZ PHE 6 HZ PHE 6 -5.643 5.446 -4.255 40 HA PRO 7 HA PRO 7 -3.246 -3.971 -0.436 41 HB2 PRO 7 HB2 PRO 7 -5.070 -5.090 -2.534 42 HB3 PRO 7 HB1 PRO 7 -4.773 -5.660 -0.887 43 HG2 PRO 7 HG2 PRO 7 -6.956 -4.240 -1.473 44 HG3 PRO 7 HG1 PRO 7 -6.102 -4.021 0.064 45 HD2 PRO 7 HD2 PRO 7 -6.231 -2.235 -2.291 46 HD3 PRO 7 HD1 PRO 7 -5.920 -1.841 -0.589 47 H ASP 8 HN ASP 8 -1.186 -4.192 -1.102 48 HA ASP 8 HA ASP 8 -0.724 -4.896 -3.924 49 HB2 ASP 8 HB2 ASP 8 1.398 -3.831 -3.846 50 HB3 ASP 8 HB1 ASP 8 0.264 -2.707 -3.106 51 H VAL 9 HN VAL 9 0.420 -5.458 -0.608 52 HA VAL 9 HA VAL 9 0.789 -8.264 -1.188 53 HB VAL 9 HB VAL 9 3.178 -6.667 -0.251 54 HG11 VAL 9 HG11 VAL 9 3.652 -8.710 0.594 55 HG12 VAL 9 HG12 VAL 9 4.163 -9.028 -1.063 56 HG13 VAL 9 HG13 VAL 9 2.566 -9.543 -0.518 57 HG21 VAL 9 HG21 VAL 9 4.161 -7.260 -2.458 58 HG22 VAL 9 HG22 VAL 9 2.804 -6.140 -2.565 59 HG23 VAL 9 HG23 VAL 9 2.574 -7.843 -2.962 60 H GLY 10 HN GLY 1 -0.983 -6.962 0.520 61 HA2 GLY 10 HA2 GLY 1 -0.766 -8.389 2.872 62 HA3 GLY 10 HA1 GLY 1 -0.004 -6.839 3.197 63 H ASP 11 HN ASP 1 -1.295 -4.902 2.935 64 HA ASP 11 HA ASP 1 -4.191 -5.398 3.097 65 HB2 ASP 11 HB2 ASP 1 -2.494 -4.452 5.179 66 HB3 ASP 11 HB1 ASP 1 -3.523 -3.114 4.679 67 H GLY 12 HN GLY 1 -1.653 -2.971 2.564 68 HA2 GLY 12 HA2 GLY 1 -2.844 -1.982 0.207 69 HA3 GLY 12 HA1 GLY 1 -3.265 -0.929 1.547 70 H ARG 13 HN ARG 1 -1.691 -0.266 -0.774 71 HA ARG 13 HA ARG 1 0.991 0.089 0.365 72 HB2 ARG 13 HB2 ARG 1 0.205 -0.678 -2.160 73 HB3 ARG 13 HB1 ARG 1 0.558 1.031 -2.376 74 HG2 ARG 13 HG2 ARG 1 2.717 0.216 -0.941 75 HG3 ARG 13 HG1 ARG 1 2.362 -1.223 -1.897 76 HD2 ARG 13 HD2 ARG 1 2.212 1.233 -3.452 77 HD3 ARG 13 HD1 ARG 1 3.801 0.978 -2.732 78 HE ARG 13 HE ARG 1 2.585 -0.550 -4.844 79 HH11 ARG 13 HH11 ARG 1 4.971 -0.572 -2.298 80 HH12 ARG 13 HH12 ARG 1 5.926 -1.815 -3.034 81 HH21 ARG 13 HH21 ARG 1 3.839 -2.184 -5.813 82 HH22 ARG 13 HH22 ARG 1 5.285 -2.729 -5.030 83 H ILE 14 HN ILE 1 2.029 2.250 -0.418 84 HA ILE 14 HA ILE 1 0.104 4.451 -0.104 85 HB ILE 14 HB ILE 1 2.790 4.427 1.264 86 HG12 ILE 14 HG12 ILE 1 0.124 3.992 2.609 87 HG13 ILE 14 HG11 ILE 1 1.159 2.659 2.110 88 HG21 ILE 14 HG21 ILE 1 2.343 6.520 1.894 89 HG22 ILE 14 HG22 ILE 1 0.680 6.125 2.327 90 HG23 ILE 14 HG23 ILE 1 1.089 6.503 0.654 91 HD11 ILE 14 HD11 ILE 1 1.231 3.658 4.550 92 HD12 ILE 14 HD12 ILE 1 2.361 4.780 3.792 93 HD13 ILE 14 HD13 ILE 1 2.678 3.045 3.750 94 H LEU 15 HN LEU 1 1.412 3.398 -2.472 95 HA LEU 15 HA LEU 1 2.881 5.821 -3.259 96 HB2 LEU 15 HB2 LEU 1 3.696 2.975 -3.531 97 HB3 LEU 15 HB1 LEU 1 4.069 4.052 -4.863 98 HG LEU 15 HG LEU 1 4.840 4.908 -2.116 99 HD11 LEU 15 HD11 LEU 1 6.637 3.102 -3.688 100 HD12 LEU 15 HD12 LEU 1 5.491 2.450 -2.517 101 HD13 LEU 15 HD13 LEU 1 6.741 3.578 -1.994 102 HD21 LEU 15 HD21 LEU 1 5.167 6.402 -4.016 103 HD22 LEU 15 HD22 LEU 1 6.127 5.167 -4.832 104 HD23 LEU 15 HD23 LEU 1 6.714 5.895 -3.336 105 H ALA 16 HN ALA 1 2.792 6.308 -5.539 106 HA ALA 16 HA ALA 1 0.661 4.943 -7.023 107 HB1 ALA 16 HB1 ALA 1 0.147 7.464 -7.774 108 HB2 ALA 16 HB2 ALA 1 0.681 7.755 -6.119 109 HB3 ALA 16 HB3 ALA 1 -0.674 6.670 -6.430 110 H GLY 17 HN GLY 1 0.776 5.177 -9.304 111 HA2 GLY 17 HA2 GLY 1 2.077 6.512 -11.076 112 HA3 GLY 17 HA1 GLY 1 3.482 5.884 -10.228
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