NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
611829 | 2nal | 25941 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H ARG 1 1.807 0.001 0.855 2 HA ARG 1 HA ARG 1 1.520 -0.535 -1.984 3 HB2 ARG 1 HB2 ARG 1 2.339 2.092 -0.870 4 HB3 ARG 1 HB3 ARG 1 3.273 1.483 -2.230 5 HG2 ARG 1 HG2 ARG 1 0.286 1.567 -2.351 6 HG3 ARG 1 HG3 ARG 1 1.249 3.009 -2.682 7 HD2 ARG 1 HD2 ARG 1 2.546 1.212 -4.211 8 HD3 ARG 1 HD3 ARG 1 0.918 0.538 -4.261 9 HE ARG 1 HE ARG 1 1.829 2.973 -5.495 10 HH11 ARG 1 HH11 ARG 1 -0.926 1.218 -4.289 11 HH12 ARG 1 HH12 ARG 1 -2.065 2.069 -5.278 12 HH21 ARG 1 HH21 ARG 1 0.338 4.101 -6.802 13 HH22 ARG 1 HH22 ARG 1 -1.346 3.708 -6.708 14 H LEU 2 H LEU 2 3.422 -1.301 -2.962 15 HA LEU 2 HA LEU 2 5.400 -2.286 -1.047 16 HB2 LEU 2 HB2 LEU 2 6.009 -3.894 -2.702 17 HB3 LEU 2 HB3 LEU 2 4.252 -3.869 -2.570 18 HG LEU 2 HG LEU 2 5.454 -2.189 -4.693 19 HD11 LEU 2 HD11 LEU 2 5.866 -3.980 -6.185 20 HD12 LEU 2 HD12 LEU 2 5.225 -5.167 -5.051 21 HD13 LEU 2 HD13 LEU 2 6.748 -4.349 -4.703 22 HD21 LEU 2 HD21 LEU 2 3.453 -3.600 -5.808 23 HD22 LEU 2 HD22 LEU 2 3.211 -2.094 -4.923 24 HD23 LEU 2 HD23 LEU 2 2.953 -3.642 -4.117 25 H PHE 3 H PHE 3 5.022 0.051 -3.508 26 HA PHE 3 HA PHE 3 7.934 0.496 -3.550 27 HB2 PHE 3 HB2 PHE 3 5.906 0.603 -5.737 28 HB3 PHE 3 HB3 PHE 3 7.257 1.730 -5.798 29 HD1 PHE 3 HD1 PHE 3 6.145 -1.535 -6.578 30 HD2 PHE 3 HD2 PHE 3 9.619 0.709 -5.573 31 HE1 PHE 3 HE1 PHE 3 7.560 -3.295 -7.554 32 HE2 PHE 3 HE2 PHE 3 11.040 -1.047 -6.549 33 HZ PHE 3 HZ PHE 3 10.011 -3.052 -7.542 34 H ASP 4 H ASP 4 4.746 2.026 -3.683 35 HA ASP 4 HA ASP 4 5.544 4.693 -3.595 36 HB2 ASP 4 HB2 ASP 4 3.145 3.423 -3.679 37 HB3 ASP 4 HB3 ASP 4 3.138 4.018 -2.021 38 H LYS 5 H LYS 5 4.871 2.449 -0.927 39 HA LYS 5 HA LYS 5 5.165 4.163 1.218 40 HB2 LYS 5 HB2 LYS 5 5.970 1.261 0.970 41 HB3 LYS 5 HB3 LYS 5 5.911 2.136 2.494 42 HG2 LYS 5 HG2 LYS 5 3.568 1.689 0.656 43 HG3 LYS 5 HG3 LYS 5 3.915 0.765 2.119 44 HD2 LYS 5 HD2 LYS 5 3.377 3.732 1.995 45 HD3 LYS 5 HD3 LYS 5 2.230 2.499 2.522 46 HE2 LYS 5 HE2 LYS 5 4.852 3.217 3.829 47 HE3 LYS 5 HE3 LYS 5 3.236 3.546 4.451 48 HZ1 LYS 5 HZ1 LYS 5 4.178 1.628 5.537 49 HZ2 LYS 5 HZ2 LYS 5 4.444 0.862 4.052 50 HZ3 LYS 5 HZ3 LYS 5 2.864 1.145 4.586 51 H ILE 6 H ILE 6 7.614 2.757 -0.836 52 HA ILE 6 HA ILE 6 9.775 3.672 0.882 53 HB ILE 6 HB ILE 6 9.858 2.302 -1.809 54 HG12 ILE 6 HG12 ILE 6 10.867 0.476 -0.198 55 HG13 ILE 6 HG13 ILE 6 9.953 1.348 1.027 56 HG21 ILE 6 HG21 ILE 6 11.839 3.632 -1.528 57 HG22 ILE 6 HG22 ILE 6 12.070 3.017 0.108 58 HG23 ILE 6 HG23 ILE 6 12.254 1.937 -1.275 59 HD11 ILE 6 HD11 ILE 6 8.840 -0.648 -0.084 60 HD12 ILE 6 HD12 ILE 6 7.909 0.847 0.016 61 HD13 ILE 6 HD13 ILE 6 8.674 0.384 -1.504 62 H ARG 7 H ARG 7 8.257 4.495 -2.182 63 HA ARG 7 HA ARG 7 10.070 6.256 -3.263 64 HB2 ARG 7 HB2 ARG 7 7.249 5.730 -3.532 65 HB3 ARG 7 HB3 ARG 7 7.552 7.460 -3.632 66 HG2 ARG 7 HG2 ARG 7 7.679 6.724 -5.835 67 HG3 ARG 7 HG3 ARG 7 9.365 6.860 -5.331 68 HD2 ARG 7 HD2 ARG 7 9.694 4.606 -5.346 69 HD3 ARG 7 HD3 ARG 7 8.021 4.250 -4.918 70 HE ARG 7 HE ARG 7 7.580 4.028 -7.139 71 HH11 ARG 7 HH11 ARG 7 10.414 6.017 -6.777 72 HH12 ARG 7 HH12 ARG 7 10.706 6.139 -8.480 73 HH21 ARG 7 HH21 ARG 7 7.954 4.181 -9.384 74 HH22 ARG 7 HH22 ARG 7 9.305 5.096 -9.962 75 H GLN 8 H GLN 8 7.509 7.019 -0.909 76 HA GLN 8 HA GLN 8 7.969 9.728 -0.626 77 HB2 GLN 8 HB2 GLN 8 6.779 9.617 1.411 78 HB3 GLN 8 HB3 GLN 8 6.118 8.331 0.411 79 HG2 GLN 8 HG2 GLN 8 7.472 6.694 1.602 80 HG3 GLN 8 HG3 GLN 8 8.161 7.979 2.593 81 HE21 GLN 8 HE21 GLN 8 6.075 9.487 3.285 82 HE22 GLN 8 HE22 GLN 8 4.920 8.578 4.193 83 H VAL 9 H VAL 9 9.842 7.051 0.538 84 HA VAL 9 HA VAL 9 11.375 8.634 2.408 85 HB VAL 9 HB VAL 9 11.082 5.823 1.808 86 HG11 VAL 9 HG11 VAL 9 13.228 5.983 0.724 87 HG12 VAL 9 HG12 VAL 9 13.899 6.860 2.100 88 HG13 VAL 9 HG13 VAL 9 13.424 5.170 2.276 89 HG21 VAL 9 HG21 VAL 9 11.832 5.588 4.113 90 HG22 VAL 9 HG22 VAL 9 12.358 7.272 4.129 91 HG23 VAL 9 HG23 VAL 9 10.644 6.885 3.977 92 H ILE 10 H ILE 10 11.666 7.505 -0.889 93 HA ILE 10 HA ILE 10 14.414 7.929 -1.268 94 HB ILE 10 HB ILE 10 12.262 8.284 -3.354 95 HG12 ILE 10 HG12 ILE 10 13.651 5.778 -2.385 96 HG13 ILE 10 HG13 ILE 10 11.933 6.145 -2.266 97 HG21 ILE 10 HG21 ILE 10 14.508 9.063 -3.984 98 HG22 ILE 10 HG22 ILE 10 15.151 7.463 -3.616 99 HG23 ILE 10 HG23 ILE 10 13.995 7.667 -4.932 100 HD11 ILE 10 HD11 ILE 10 13.525 5.220 -4.579 101 HD12 ILE 10 HD12 ILE 10 11.887 4.795 -4.079 102 HD13 ILE 10 HD13 ILE 10 12.189 6.326 -4.900 103 H ARG 11 H ARG 11 11.693 10.055 -2.177 104 HA ARG 11 HA ARG 11 11.551 12.307 -2.461 105 HB2 ARG 11 HB2 ARG 11 13.909 12.334 -0.567 106 HB3 ARG 11 HB3 ARG 11 12.921 13.727 -0.987 107 HG2 ARG 11 HG2 ARG 11 12.043 11.269 0.511 108 HG3 ARG 11 HG3 ARG 11 12.242 12.900 1.155 109 HD2 ARG 11 HD2 ARG 11 10.252 12.058 -0.951 110 HD3 ARG 11 HD3 ARG 11 9.888 12.372 0.746 111 HE ARG 11 HE ARG 11 10.312 14.320 -1.329 112 HH11 ARG 11 HH11 ARG 11 10.358 13.716 2.099 113 HH12 ARG 11 HH12 ARG 11 10.129 15.379 2.527 114 HH21 ARG 11 HH21 ARG 11 10.011 16.513 -0.778 115 HH22 ARG 11 HH22 ARG 11 9.931 16.969 0.890 116 H LYS 12 H LYS 12 13.192 10.726 -4.273 117 HA LYS 12 HA LYS 12 15.606 11.855 -4.990 118 HB2 LYS 12 HB2 LYS 12 15.210 10.978 -7.228 119 HB3 LYS 12 HB3 LYS 12 14.683 9.819 -6.015 120 HG2 LYS 12 HG2 LYS 12 12.652 11.704 -7.059 121 HG3 LYS 12 HG3 LYS 12 13.220 10.432 -8.143 122 HD2 LYS 12 HD2 LYS 12 12.712 9.330 -5.547 123 HD3 LYS 12 HD3 LYS 12 11.297 10.232 -6.095 124 HE2 LYS 12 HE2 LYS 12 12.678 8.329 -7.944 125 HE3 LYS 12 HE3 LYS 12 11.559 7.720 -6.725 126 HZ1 LYS 12 HZ1 LYS 12 10.562 8.195 -8.950 127 HZ2 LYS 12 HZ2 LYS 12 10.841 9.839 -8.670 128 HZ3 LYS 12 HZ3 LYS 12 9.801 8.974 -7.655 Start of MODEL 2 1 H1 ARG 1 H ARG 1 2.353 -0.242 1.478 2 HA ARG 1 HA ARG 1 1.465 -0.884 -1.154 3 HB2 ARG 1 HB2 ARG 1 2.320 1.864 -0.570 4 HB3 ARG 1 HB3 ARG 1 3.164 1.123 -1.922 5 HG2 ARG 1 HG2 ARG 1 0.189 0.975 -1.784 6 HG3 ARG 1 HG3 ARG 1 0.973 2.462 -2.321 7 HD2 ARG 1 HD2 ARG 1 1.894 1.450 -4.194 8 HD3 ARG 1 HD3 ARG 1 1.757 -0.168 -3.508 9 HE ARG 1 HE ARG 1 -0.327 -0.312 -4.419 10 HH11 ARG 1 HH11 ARG 1 0.548 3.049 -4.179 11 HH12 ARG 1 HH12 ARG 1 -0.866 3.611 -5.007 12 HH21 ARG 1 HH21 ARG 1 -2.193 0.415 -5.510 13 HH22 ARG 1 HH22 ARG 1 -2.425 2.112 -5.763 14 H LEU 2 H LEU 2 3.255 -1.486 -2.577 15 HA LEU 2 HA LEU 2 5.503 -2.510 -1.013 16 HB2 LEU 2 HB2 LEU 2 5.878 -4.046 -2.800 17 HB3 LEU 2 HB3 LEU 2 4.159 -4.053 -2.410 18 HG LEU 2 HG LEU 2 5.042 -2.292 -4.628 19 HD11 LEU 2 HD11 LEU 2 5.333 -3.972 -6.201 20 HD12 LEU 2 HD12 LEU 2 4.624 -5.207 -5.162 21 HD13 LEU 2 HD13 LEU 2 6.231 -4.573 -4.806 22 HD21 LEU 2 HD21 LEU 2 2.634 -3.761 -3.745 23 HD22 LEU 2 HD22 LEU 2 2.874 -3.611 -5.486 24 HD23 LEU 2 HD23 LEU 2 2.788 -2.165 -4.480 25 H PHE 3 H PHE 3 4.740 -0.128 -3.359 26 HA PHE 3 HA PHE 3 7.611 0.405 -3.750 27 HB2 PHE 3 HB2 PHE 3 5.321 0.589 -5.686 28 HB3 PHE 3 HB3 PHE 3 6.770 1.562 -5.916 29 HD1 PHE 3 HD1 PHE 3 5.279 -1.174 -7.143 30 HD2 PHE 3 HD2 PHE 3 8.970 -0.102 -5.313 31 HE1 PHE 3 HE1 PHE 3 6.375 -3.081 -8.245 32 HE2 PHE 3 HE2 PHE 3 10.072 -2.006 -6.413 33 HZ PHE 3 HZ PHE 3 8.775 -3.498 -7.882 34 H ASP 4 H ASP 4 4.380 1.844 -3.545 35 HA ASP 4 HA ASP 4 5.113 4.530 -3.517 36 HB2 ASP 4 HB2 ASP 4 2.753 3.239 -3.419 37 HB3 ASP 4 HB3 ASP 4 2.887 3.725 -1.731 38 H LYS 5 H LYS 5 4.761 2.262 -0.809 39 HA LYS 5 HA LYS 5 5.226 3.978 1.305 40 HB2 LYS 5 HB2 LYS 5 6.073 1.097 0.971 41 HB3 LYS 5 HB3 LYS 5 6.129 1.969 2.498 42 HG2 LYS 5 HG2 LYS 5 3.641 1.464 0.877 43 HG3 LYS 5 HG3 LYS 5 4.143 0.544 2.297 44 HD2 LYS 5 HD2 LYS 5 3.526 3.499 2.241 45 HD3 LYS 5 HD3 LYS 5 2.457 2.237 2.856 46 HE2 LYS 5 HE2 LYS 5 4.280 1.622 4.470 47 HE3 LYS 5 HE3 LYS 5 5.140 3.068 3.945 48 HZ1 LYS 5 HZ1 LYS 5 2.626 3.953 4.532 49 HZ2 LYS 5 HZ2 LYS 5 3.996 4.125 5.510 50 HZ3 LYS 5 HZ3 LYS 5 2.942 2.824 5.753 51 H ILE 6 H ILE 6 7.491 2.630 -0.985 52 HA ILE 6 HA ILE 6 9.790 3.589 0.516 53 HB ILE 6 HB ILE 6 9.638 2.226 -2.175 54 HG12 ILE 6 HG12 ILE 6 10.838 0.418 -0.678 55 HG13 ILE 6 HG13 ILE 6 10.031 1.269 0.634 56 HG21 ILE 6 HG21 ILE 6 11.610 3.571 -2.117 57 HG22 ILE 6 HG22 ILE 6 12.000 3.026 -0.487 58 HG23 ILE 6 HG23 ILE 6 12.093 1.898 -1.839 59 HD11 ILE 6 HD11 ILE 6 8.506 0.318 -1.756 60 HD12 ILE 6 HD12 ILE 6 8.868 -0.757 -0.406 61 HD13 ILE 6 HD13 ILE 6 7.917 0.703 -0.139 62 H ARG 7 H ARG 7 7.957 4.388 -2.375 63 HA ARG 7 HA ARG 7 9.615 6.186 -3.628 64 HB2 ARG 7 HB2 ARG 7 6.795 5.602 -3.614 65 HB3 ARG 7 HB3 ARG 7 7.046 7.339 -3.726 66 HG2 ARG 7 HG2 ARG 7 6.955 6.603 -5.939 67 HG3 ARG 7 HG3 ARG 7 8.676 6.817 -5.611 68 HD2 ARG 7 HD2 ARG 7 9.081 4.543 -5.548 69 HD3 ARG 7 HD3 ARG 7 7.405 4.152 -5.165 70 HE ARG 7 HE ARG 7 6.921 4.138 -7.410 71 HH11 ARG 7 HH11 ARG 7 10.058 5.560 -6.901 72 HH12 ARG 7 HH12 ARG 7 10.464 5.585 -8.585 73 HH21 ARG 7 HH21 ARG 7 7.444 4.166 -9.630 74 HH22 ARG 7 HH22 ARG 7 8.976 4.793 -10.137 75 H GLN 8 H GLN 8 7.296 6.894 -1.020 76 HA GLN 8 HA GLN 8 7.730 9.610 -0.774 77 HB2 GLN 8 HB2 GLN 8 6.760 9.471 1.377 78 HB3 GLN 8 HB3 GLN 8 6.021 8.178 0.442 79 HG2 GLN 8 HG2 GLN 8 7.517 6.559 1.475 80 HG3 GLN 8 HG3 GLN 8 8.286 7.850 2.397 81 HE21 GLN 8 HE21 GLN 8 7.697 6.588 4.262 82 HE22 GLN 8 HE22 GLN 8 6.101 6.715 4.912 83 H VAL 9 H VAL 9 9.766 6.968 0.175 84 HA VAL 9 HA VAL 9 11.454 8.581 1.882 85 HB VAL 9 HB VAL 9 11.148 5.764 1.318 86 HG11 VAL 9 HG11 VAL 9 13.167 5.959 0.015 87 HG12 VAL 9 HG12 VAL 9 13.963 6.847 1.316 88 HG13 VAL 9 HG13 VAL 9 13.535 5.150 1.538 89 HG21 VAL 9 HG21 VAL 9 12.649 7.223 3.491 90 HG22 VAL 9 HG22 VAL 9 10.927 6.845 3.519 91 HG23 VAL 9 HG23 VAL 9 12.116 5.543 3.534 92 H ILE 10 H ILE 10 11.421 7.452 -1.427 93 HA ILE 10 HA ILE 10 14.108 7.919 -2.089 94 HB ILE 10 HB ILE 10 11.742 8.234 -3.936 95 HG12 ILE 10 HG12 ILE 10 13.280 5.759 -3.128 96 HG13 ILE 10 HG13 ILE 10 11.577 6.087 -2.828 97 HG21 ILE 10 HG21 ILE 10 14.421 8.713 -4.381 98 HG22 ILE 10 HG22 ILE 10 14.185 7.079 -5.001 99 HG23 ILE 10 HG23 ILE 10 13.199 8.406 -5.616 100 HD11 ILE 10 HD11 ILE 10 12.926 5.137 -5.263 101 HD12 ILE 10 HD12 ILE 10 11.314 4.784 -4.638 102 HD13 ILE 10 HD13 ILE 10 11.616 6.293 -5.500 103 H ARG 11 H ARG 11 11.277 9.999 -2.733 104 HA ARG 11 HA ARG 11 11.072 12.248 -3.002 105 HB2 ARG 11 HB2 ARG 11 13.596 12.321 -1.338 106 HB3 ARG 11 HB3 ARG 11 12.545 13.693 -1.660 107 HG2 ARG 11 HG2 ARG 11 11.876 11.223 -0.079 108 HG3 ARG 11 HG3 ARG 11 12.076 12.867 0.531 109 HD2 ARG 11 HD2 ARG 11 9.913 11.871 -1.318 110 HD3 ARG 11 HD3 ARG 11 9.725 12.342 0.371 111 HE ARG 11 HE ARG 11 10.768 14.419 -1.332 112 HH11 ARG 11 HH11 ARG 11 7.907 12.909 -0.045 113 HH12 ARG 11 HH12 ARG 11 6.911 14.309 -0.265 114 HH21 ARG 11 HH21 ARG 11 9.466 16.269 -1.628 115 HH22 ARG 11 HH22 ARG 11 7.798 16.220 -1.167 116 H LYS 12 H LYS 12 12.568 10.689 -4.957 117 HA LYS 12 HA LYS 12 14.029 12.908 -6.202 118 HB2 LYS 12 HB2 LYS 12 15.060 10.202 -5.554 119 HB3 LYS 12 HB3 LYS 12 15.486 10.849 -7.133 120 HG2 LYS 12 HG2 LYS 12 17.247 11.592 -5.890 121 HG3 LYS 12 HG3 LYS 12 16.152 12.967 -5.735 122 HD2 LYS 12 HD2 LYS 12 15.520 12.357 -3.558 123 HD3 LYS 12 HD3 LYS 12 16.163 10.723 -3.737 124 HE2 LYS 12 HE2 LYS 12 17.668 11.943 -2.347 125 HE3 LYS 12 HE3 LYS 12 18.445 11.732 -3.915 126 HZ1 LYS 12 HZ1 LYS 12 17.019 14.188 -3.045 127 HZ2 LYS 12 HZ2 LYS 12 17.856 13.979 -4.500 128 HZ3 LYS 12 HZ3 LYS 12 18.699 13.988 -3.033 Start of MODEL 3 1 H1 ARG 1 H ARG 1 2.378 -0.267 1.603 2 HA ARG 1 HA ARG 1 1.437 -0.809 -0.993 3 HB2 ARG 1 HB2 ARG 1 2.273 1.945 -0.465 4 HB3 ARG 1 HB3 ARG 1 3.138 1.203 -1.804 5 HG2 ARG 1 HG2 ARG 1 0.143 1.174 -1.601 6 HG3 ARG 1 HG3 ARG 1 1.038 2.479 -2.381 7 HD2 ARG 1 HD2 ARG 1 2.147 0.651 -3.775 8 HD3 ARG 1 HD3 ARG 1 0.882 -0.417 -3.167 9 HE ARG 1 HE ARG 1 -0.331 1.877 -4.209 10 HH11 ARG 1 HH11 ARG 1 1.496 -0.880 -5.297 11 HH12 ARG 1 HH12 ARG 1 0.770 -0.905 -6.870 12 HH21 ARG 1 HH21 ARG 1 -1.295 1.854 -6.276 13 HH22 ARG 1 HH22 ARG 1 -0.817 0.651 -7.426 14 H LEU 2 H LEU 2 3.184 -1.411 -2.479 15 HA LEU 2 HA LEU 2 5.475 -2.443 -0.982 16 HB2 LEU 2 HB2 LEU 2 5.805 -3.957 -2.818 17 HB3 LEU 2 HB3 LEU 2 4.118 -4.005 -2.312 18 HG LEU 2 HG LEU 2 4.770 -2.193 -4.559 19 HD11 LEU 2 HD11 LEU 2 4.704 -5.185 -4.915 20 HD12 LEU 2 HD12 LEU 2 6.145 -4.178 -5.050 21 HD13 LEU 2 HD13 LEU 2 4.816 -3.972 -6.190 22 HD21 LEU 2 HD21 LEU 2 2.643 -3.638 -5.308 23 HD22 LEU 2 HD22 LEU 2 2.526 -2.213 -4.275 24 HD23 LEU 2 HD23 LEU 2 2.519 -3.826 -3.559 25 H PHE 3 H PHE 3 4.650 -0.059 -3.303 26 HA PHE 3 HA PHE 3 7.510 0.466 -3.779 27 HB2 PHE 3 HB2 PHE 3 5.164 0.694 -5.650 28 HB3 PHE 3 HB3 PHE 3 6.645 1.605 -5.927 29 HD1 PHE 3 HD1 PHE 3 4.964 -1.234 -6.855 30 HD2 PHE 3 HD2 PHE 3 8.837 0.015 -5.608 31 HE1 PHE 3 HE1 PHE 3 5.952 -3.191 -7.972 32 HE2 PHE 3 HE2 PHE 3 9.831 -1.940 -6.723 33 HZ PHE 3 HZ PHE 3 8.388 -3.546 -7.908 34 H ASP 4 H ASP 4 4.290 1.919 -3.496 35 HA ASP 4 HA ASP 4 5.038 4.601 -3.484 36 HB2 ASP 4 HB2 ASP 4 2.673 3.347 -3.364 37 HB3 ASP 4 HB3 ASP 4 2.839 3.774 -1.663 38 H LYS 5 H LYS 5 4.724 2.335 -0.769 39 HA LYS 5 HA LYS 5 5.238 4.044 1.337 40 HB2 LYS 5 HB2 LYS 5 6.063 1.160 0.976 41 HB3 LYS 5 HB3 LYS 5 6.170 2.026 2.503 42 HG2 LYS 5 HG2 LYS 5 3.628 1.564 0.955 43 HG3 LYS 5 HG3 LYS 5 4.168 0.609 2.338 44 HD2 LYS 5 HD2 LYS 5 3.594 3.572 2.371 45 HD3 LYS 5 HD3 LYS 5 2.516 2.314 2.979 46 HE2 LYS 5 HE2 LYS 5 4.454 1.619 4.484 47 HE3 LYS 5 HE3 LYS 5 5.201 3.153 4.040 48 HZ1 LYS 5 HZ1 LYS 5 4.076 3.850 5.848 49 HZ2 LYS 5 HZ2 LYS 5 2.907 2.632 5.750 50 HZ3 LYS 5 HZ3 LYS 5 2.794 3.994 4.753 51 H ILE 6 H ILE 6 7.454 2.700 -1.004 52 HA ILE 6 HA ILE 6 9.785 3.647 0.455 53 HB ILE 6 HB ILE 6 9.575 2.297 -2.239 54 HG12 ILE 6 HG12 ILE 6 10.801 0.480 -0.777 55 HG13 ILE 6 HG13 ILE 6 10.023 1.326 0.556 56 HG21 ILE 6 HG21 ILE 6 11.598 3.272 -2.500 57 HG22 ILE 6 HG22 ILE 6 11.836 3.495 -0.768 58 HG23 ILE 6 HG23 ILE 6 12.124 1.917 -1.501 59 HD11 ILE 6 HD11 ILE 6 8.455 0.378 -1.809 60 HD12 ILE 6 HD12 ILE 6 8.831 -0.690 -0.456 61 HD13 ILE 6 HD13 ILE 6 7.889 0.777 -0.188 62 H ARG 7 H ARG 7 7.894 4.463 -2.395 63 HA ARG 7 HA ARG 7 9.530 6.264 -3.673 64 HB2 ARG 7 HB2 ARG 7 6.710 5.686 -3.604 65 HB3 ARG 7 HB3 ARG 7 6.962 7.423 -3.712 66 HG2 ARG 7 HG2 ARG 7 6.823 6.698 -5.926 67 HG3 ARG 7 HG3 ARG 7 8.550 6.910 -5.633 68 HD2 ARG 7 HD2 ARG 7 8.959 4.640 -5.603 69 HD3 ARG 7 HD3 ARG 7 7.298 4.242 -5.165 70 HE ARG 7 HE ARG 7 6.760 4.192 -7.390 71 HH11 ARG 7 HH11 ARG 7 9.834 5.777 -6.992 72 HH12 ARG 7 HH12 ARG 7 10.166 5.846 -8.691 73 HH21 ARG 7 HH21 ARG 7 7.186 4.275 -9.629 74 HH22 ARG 7 HH22 ARG 7 8.659 4.992 -10.190 75 H GLN 8 H GLN 8 7.267 6.965 -1.014 76 HA GLN 8 HA GLN 8 7.713 9.679 -0.765 77 HB2 GLN 8 HB2 GLN 8 6.788 9.531 1.406 78 HB3 GLN 8 HB3 GLN 8 6.027 8.244 0.480 79 HG2 GLN 8 HG2 GLN 8 7.540 6.617 1.475 80 HG3 GLN 8 HG3 GLN 8 8.332 7.902 2.385 81 HE21 GLN 8 HE21 GLN 8 4.986 6.886 1.756 82 HE22 GLN 8 HE22 GLN 8 4.487 6.916 3.409 83 H VAL 9 H VAL 9 9.761 7.028 0.133 84 HA VAL 9 HA VAL 9 11.488 8.629 1.810 85 HB VAL 9 HB VAL 9 11.163 5.815 1.241 86 HG11 VAL 9 HG11 VAL 9 13.979 6.893 1.184 87 HG12 VAL 9 HG12 VAL 9 13.554 5.195 1.408 88 HG13 VAL 9 HG13 VAL 9 13.156 6.013 -0.103 89 HG21 VAL 9 HG21 VAL 9 12.205 5.588 3.432 90 HG22 VAL 9 HG22 VAL 9 12.694 7.282 3.390 91 HG23 VAL 9 HG23 VAL 9 10.983 6.860 3.451 92 H ILE 10 H ILE 10 11.385 7.513 -1.502 93 HA ILE 10 HA ILE 10 14.057 7.976 -2.218 94 HB ILE 10 HB ILE 10 11.653 8.307 -4.012 95 HG12 ILE 10 HG12 ILE 10 13.205 5.826 -3.252 96 HG13 ILE 10 HG13 ILE 10 11.509 6.154 -2.914 97 HG21 ILE 10 HG21 ILE 10 14.343 8.756 -4.501 98 HG22 ILE 10 HG22 ILE 10 14.043 7.150 -5.163 99 HG23 ILE 10 HG23 ILE 10 13.079 8.522 -5.709 100 HD11 ILE 10 HD11 ILE 10 11.163 4.902 -4.734 101 HD12 ILE 10 HD12 ILE 10 11.548 6.385 -5.607 102 HD13 ILE 10 HD13 ILE 10 12.794 5.163 -5.351 103 H ARG 11 H ARG 11 11.222 10.069 -2.795 104 HA ARG 11 HA ARG 11 11.019 12.320 -3.047 105 HB2 ARG 11 HB2 ARG 11 13.578 12.378 -1.436 106 HB3 ARG 11 HB3 ARG 11 12.521 13.753 -1.727 107 HG2 ARG 11 HG2 ARG 11 11.876 11.271 -0.154 108 HG3 ARG 11 HG3 ARG 11 12.108 12.905 0.471 109 HD2 ARG 11 HD2 ARG 11 9.906 12.004 -1.383 110 HD3 ARG 11 HD3 ARG 11 9.738 12.339 0.340 111 HE ARG 11 HE ARG 11 9.798 14.250 -1.787 112 HH11 ARG 11 HH11 ARG 11 10.536 13.743 1.577 113 HH12 ARG 11 HH12 ARG 11 10.390 15.417 1.997 114 HH21 ARG 11 HH21 ARG 11 9.602 16.457 -1.247 115 HH22 ARG 11 HH22 ARG 11 9.857 16.960 0.389 116 H LYS 12 H LYS 12 12.509 10.746 -5.020 117 HA LYS 12 HA LYS 12 13.948 12.971 -6.285 118 HB2 LYS 12 HB2 LYS 12 14.965 10.256 -5.668 119 HB3 LYS 12 HB3 LYS 12 15.354 10.890 -7.262 120 HG2 LYS 12 HG2 LYS 12 17.159 11.616 -6.071 121 HG3 LYS 12 HG3 LYS 12 16.085 13.006 -5.896 122 HD2 LYS 12 HD2 LYS 12 15.503 12.417 -3.699 123 HD3 LYS 12 HD3 LYS 12 16.124 10.775 -3.885 124 HE2 LYS 12 HE2 LYS 12 18.362 11.506 -3.807 125 HE3 LYS 12 HE3 LYS 12 17.905 13.189 -4.063 126 HZ1 LYS 12 HZ1 LYS 12 18.440 12.947 -1.788 127 HZ2 LYS 12 HZ2 LYS 12 17.491 11.557 -1.624 128 HZ3 LYS 12 HZ3 LYS 12 16.753 13.060 -1.863 Start of MODEL 4 1 H1 ARG 1 H ARG 1 2.074 0.475 1.438 2 HA ARG 1 HA ARG 1 1.465 -0.722 -1.181 3 HB2 ARG 1 HB2 ARG 1 2.337 1.958 -0.325 4 HB3 ARG 1 HB3 ARG 1 3.181 1.326 -1.732 5 HG2 ARG 1 HG2 ARG 1 0.196 1.255 -1.607 6 HG3 ARG 1 HG3 ARG 1 1.043 2.735 -2.060 7 HD2 ARG 1 HD2 ARG 1 2.320 0.979 -3.639 8 HD3 ARG 1 HD3 ARG 1 0.751 0.185 -3.522 9 HE ARG 1 HE ARG 1 0.545 2.970 -4.153 10 HH11 ARG 1 HH11 ARG 1 1.083 -0.204 -5.477 11 HH12 ARG 1 HH12 ARG 1 0.522 0.219 -7.060 12 HH21 ARG 1 HH21 ARG 1 -0.197 3.539 -6.233 13 HH22 ARG 1 HH22 ARG 1 -0.206 2.348 -7.490 14 H LEU 2 H LEU 2 3.198 -1.426 -2.513 15 HA LEU 2 HA LEU 2 5.469 -2.424 -0.968 16 HB2 LEU 2 HB2 LEU 2 5.819 -3.982 -2.743 17 HB3 LEU 2 HB3 LEU 2 4.107 -3.983 -2.327 18 HG LEU 2 HG LEU 2 4.968 -2.256 -4.583 19 HD11 LEU 2 HD11 LEU 2 5.149 -3.988 -6.146 20 HD12 LEU 2 HD12 LEU 2 4.542 -5.195 -5.012 21 HD13 LEU 2 HD13 LEU 2 6.150 -4.507 -4.790 22 HD21 LEU 2 HD21 LEU 2 2.559 -3.718 -3.665 23 HD22 LEU 2 HD22 LEU 2 2.774 -3.518 -5.404 24 HD23 LEU 2 HD23 LEU 2 2.713 -2.102 -4.354 25 H PHE 3 H PHE 3 4.682 -0.070 -3.333 26 HA PHE 3 HA PHE 3 7.549 0.438 -3.786 27 HB2 PHE 3 HB2 PHE 3 5.208 0.672 -5.659 28 HB3 PHE 3 HB3 PHE 3 6.679 1.601 -5.930 29 HD1 PHE 3 HD1 PHE 3 5.094 -1.044 -7.175 30 HD2 PHE 3 HD2 PHE 3 8.825 -0.172 -5.321 31 HE1 PHE 3 HE1 PHE 3 6.104 -2.983 -8.303 32 HE2 PHE 3 HE2 PHE 3 9.841 -2.109 -6.447 33 HZ PHE 3 HZ PHE 3 8.480 -3.518 -7.940 34 H ASP 4 H ASP 4 4.343 1.919 -3.491 35 HA ASP 4 HA ASP 4 5.126 4.595 -3.472 36 HB2 ASP 4 HB2 ASP 4 2.744 3.369 -3.374 37 HB3 ASP 4 HB3 ASP 4 2.903 3.790 -1.671 38 H LYS 5 H LYS 5 4.851 2.281 -0.804 39 HA LYS 5 HA LYS 5 5.330 3.970 1.336 40 HB2 LYS 5 HB2 LYS 5 6.075 1.083 0.887 41 HB3 LYS 5 HB3 LYS 5 6.363 1.902 2.417 42 HG2 LYS 5 HG2 LYS 5 3.680 1.539 1.097 43 HG3 LYS 5 HG3 LYS 5 4.299 0.605 2.461 44 HD2 LYS 5 HD2 LYS 5 4.553 3.356 3.106 45 HD3 LYS 5 HD3 LYS 5 2.921 3.097 2.484 46 HE2 LYS 5 HE2 LYS 5 2.513 1.377 4.102 47 HE3 LYS 5 HE3 LYS 5 4.195 1.407 4.630 48 HZ1 LYS 5 HZ1 LYS 5 2.012 3.071 5.429 49 HZ2 LYS 5 HZ2 LYS 5 3.350 3.980 4.939 50 HZ3 LYS 5 HZ3 LYS 5 3.513 2.834 6.172 51 H ILE 6 H ILE 6 7.558 2.676 -1.020 52 HA ILE 6 HA ILE 6 9.880 3.619 0.454 53 HB ILE 6 HB ILE 6 9.680 2.301 -2.256 54 HG12 ILE 6 HG12 ILE 6 10.928 0.480 -0.817 55 HG13 ILE 6 HG13 ILE 6 10.145 1.303 0.528 56 HG21 ILE 6 HG21 ILE 6 12.257 1.983 -1.324 57 HG22 ILE 6 HG22 ILE 6 11.734 3.103 -2.581 58 HG23 ILE 6 HG23 ILE 6 11.870 3.653 -0.911 59 HD11 ILE 6 HD11 ILE 6 8.598 0.340 -1.849 60 HD12 ILE 6 HD12 ILE 6 8.959 -0.705 -0.475 61 HD13 ILE 6 HD13 ILE 6 8.008 0.761 -0.242 62 H ARG 7 H ARG 7 7.978 4.469 -2.375 63 HA ARG 7 HA ARG 7 9.601 6.293 -3.635 64 HB2 ARG 7 HB2 ARG 7 6.781 5.709 -3.555 65 HB3 ARG 7 HB3 ARG 7 7.033 7.447 -3.649 66 HG2 ARG 7 HG2 ARG 7 6.896 6.773 -5.868 67 HG3 ARG 7 HG3 ARG 7 8.630 6.921 -5.578 68 HD2 ARG 7 HD2 ARG 7 8.988 4.703 -5.799 69 HD3 ARG 7 HD3 ARG 7 7.470 4.276 -5.010 70 HE ARG 7 HE ARG 7 6.637 5.250 -7.373 71 HH11 ARG 7 HH11 ARG 7 9.060 2.897 -6.526 72 HH12 ARG 7 HH12 ARG 7 8.872 1.985 -7.986 73 HH21 ARG 7 HH21 ARG 7 6.381 4.057 -9.301 74 HH22 ARG 7 HH22 ARG 7 7.349 2.646 -9.565 75 H GLN 8 H GLN 8 7.350 6.946 -0.954 76 HA GLN 8 HA GLN 8 7.788 9.659 -0.667 77 HB2 GLN 8 HB2 GLN 8 6.875 9.475 1.506 78 HB3 GLN 8 HB3 GLN 8 6.113 8.200 0.565 79 HG2 GLN 8 HG2 GLN 8 7.639 6.564 1.527 80 HG3 GLN 8 HG3 GLN 8 8.428 7.838 2.455 81 HE21 GLN 8 HE21 GLN 8 7.916 6.675 4.358 82 HE22 GLN 8 HE22 GLN 8 6.326 6.731 5.031 83 H VAL 9 H VAL 9 9.851 7.002 0.176 84 HA VAL 9 HA VAL 9 11.581 8.584 1.870 85 HB VAL 9 HB VAL 9 11.262 5.778 1.262 86 HG11 VAL 9 HG11 VAL 9 13.655 5.162 1.405 87 HG12 VAL 9 HG12 VAL 9 13.246 6.001 -0.093 88 HG13 VAL 9 HG13 VAL 9 14.075 6.863 1.204 89 HG21 VAL 9 HG21 VAL 9 12.306 5.519 3.444 90 HG22 VAL 9 HG22 VAL 9 12.813 7.208 3.421 91 HG23 VAL 9 HG23 VAL 9 11.098 6.803 3.488 92 H ILE 10 H ILE 10 11.462 7.522 -1.458 93 HA ILE 10 HA ILE 10 14.130 8.005 -2.180 94 HB ILE 10 HB ILE 10 11.716 8.350 -3.960 95 HG12 ILE 10 HG12 ILE 10 13.278 5.863 -3.238 96 HG13 ILE 10 HG13 ILE 10 11.583 6.182 -2.888 97 HG21 ILE 10 HG21 ILE 10 14.132 7.218 -5.110 98 HG22 ILE 10 HG22 ILE 10 13.129 8.555 -5.673 99 HG23 ILE 10 HG23 ILE 10 14.383 8.840 -4.466 100 HD11 ILE 10 HD11 ILE 10 11.430 6.400 -5.501 101 HD12 ILE 10 HD12 ILE 10 12.881 5.399 -5.437 102 HD13 ILE 10 HD13 ILE 10 11.383 4.827 -4.704 103 H ARG 11 H ARG 11 11.281 10.090 -2.715 104 HA ARG 11 HA ARG 11 11.065 12.344 -2.936 105 HB2 ARG 11 HB2 ARG 11 13.631 12.391 -1.336 106 HB3 ARG 11 HB3 ARG 11 12.569 13.766 -1.604 107 HG2 ARG 11 HG2 ARG 11 11.948 11.264 -0.055 108 HG3 ARG 11 HG3 ARG 11 12.161 12.896 0.582 109 HD2 ARG 11 HD2 ARG 11 9.951 11.931 -1.227 110 HD3 ARG 11 HD3 ARG 11 9.807 12.369 0.474 111 HE ARG 11 HE ARG 11 10.800 14.480 -1.217 112 HH11 ARG 11 HH11 ARG 11 7.979 12.941 0.121 113 HH12 ARG 11 HH12 ARG 11 6.974 14.343 -0.046 114 HH21 ARG 11 HH21 ARG 11 9.488 16.333 -1.442 115 HH22 ARG 11 HH22 ARG 11 7.834 16.271 -0.936 116 H LYS 12 H LYS 12 12.517 10.823 -4.955 117 HA LYS 12 HA LYS 12 13.944 13.067 -6.194 118 HB2 LYS 12 HB2 LYS 12 14.988 10.348 -5.629 119 HB3 LYS 12 HB3 LYS 12 15.374 11.028 -7.205 120 HG2 LYS 12 HG2 LYS 12 17.165 11.760 -6.010 121 HG3 LYS 12 HG3 LYS 12 16.065 13.117 -5.760 122 HD2 LYS 12 HD2 LYS 12 15.545 12.446 -3.582 123 HD3 LYS 12 HD3 LYS 12 16.137 10.804 -3.850 124 HE2 LYS 12 HE2 LYS 12 17.766 11.854 -2.512 125 HE3 LYS 12 HE3 LYS 12 18.435 11.836 -4.143 126 HZ1 LYS 12 HZ1 LYS 12 18.784 13.997 -3.771 127 HZ2 LYS 12 HZ2 LYS 12 17.685 14.074 -2.488 128 HZ3 LYS 12 HZ3 LYS 12 17.132 14.190 -4.082 Start of MODEL 5 1 H1 ARG 1 H ARG 1 0.868 0.920 0.479 2 HA ARG 1 HA ARG 1 1.417 -0.453 -1.765 3 HB2 ARG 1 HB2 ARG 1 2.284 2.177 -0.739 4 HB3 ARG 1 HB3 ARG 1 3.238 1.537 -2.071 5 HG2 ARG 1 HG2 ARG 1 0.256 1.596 -2.249 6 HG3 ARG 1 HG3 ARG 1 1.204 3.049 -2.570 7 HD2 ARG 1 HD2 ARG 1 2.554 1.225 -4.046 8 HD3 ARG 1 HD3 ARG 1 0.915 0.582 -4.149 9 HE ARG 1 HE ARG 1 0.778 3.310 -4.679 10 HH11 ARG 1 HH11 ARG 1 2.175 0.445 -6.079 11 HH12 ARG 1 HH12 ARG 1 2.090 1.039 -7.704 12 HH21 ARG 1 HH21 ARG 1 0.660 4.103 -6.815 13 HH22 ARG 1 HH22 ARG 1 1.228 3.120 -8.121 14 H LEU 2 H LEU 2 3.277 -1.214 -2.862 15 HA LEU 2 HA LEU 2 5.307 -2.281 -1.048 16 HB2 LEU 2 HB2 LEU 2 5.818 -3.863 -2.760 17 HB3 LEU 2 HB3 LEU 2 4.068 -3.805 -2.559 18 HG LEU 2 HG LEU 2 5.237 -2.111 -4.693 19 HD11 LEU 2 HD11 LEU 2 6.527 -4.014 -5.161 20 HD12 LEU 2 HD12 LEU 2 5.124 -4.139 -6.222 21 HD13 LEU 2 HD13 LEU 2 5.208 -5.113 -4.754 22 HD21 LEU 2 HD21 LEU 2 2.714 -3.517 -4.064 23 HD22 LEU 2 HD22 LEU 2 3.148 -3.394 -5.769 24 HD23 LEU 2 HD23 LEU 2 2.982 -1.934 -4.793 25 H PHE 3 H PHE 3 4.883 0.118 -3.440 26 HA PHE 3 HA PHE 3 7.800 0.510 -3.581 27 HB2 PHE 3 HB2 PHE 3 5.701 0.692 -5.695 28 HB3 PHE 3 HB3 PHE 3 7.072 1.792 -5.784 29 HD1 PHE 3 HD1 PHE 3 5.873 -1.474 -6.506 30 HD2 PHE 3 HD2 PHE 3 9.412 0.759 -5.730 31 HE1 PHE 3 HE1 PHE 3 7.217 -3.245 -7.559 32 HE2 PHE 3 HE2 PHE 3 10.762 -1.008 -6.782 33 HZ PHE 3 HZ PHE 3 9.665 -3.014 -7.698 34 H ASP 4 H ASP 4 4.640 2.110 -3.612 35 HA ASP 4 HA ASP 4 5.497 4.755 -3.491 36 HB2 ASP 4 HB2 ASP 4 3.069 3.536 -3.538 37 HB3 ASP 4 HB3 ASP 4 3.115 4.105 -1.872 38 H LYS 5 H LYS 5 4.824 2.485 -0.844 39 HA LYS 5 HA LYS 5 5.210 4.151 1.321 40 HB2 LYS 5 HB2 LYS 5 5.944 1.237 1.003 41 HB3 LYS 5 HB3 LYS 5 5.943 2.085 2.544 42 HG2 LYS 5 HG2 LYS 5 3.541 1.745 0.761 43 HG3 LYS 5 HG3 LYS 5 3.907 0.758 2.178 44 HD2 LYS 5 HD2 LYS 5 3.457 3.743 2.187 45 HD3 LYS 5 HD3 LYS 5 2.276 2.527 2.681 46 HE2 LYS 5 HE2 LYS 5 3.122 2.934 4.732 47 HE3 LYS 5 HE3 LYS 5 4.370 1.803 4.211 48 HZ1 LYS 5 HZ1 LYS 5 4.815 4.315 5.098 49 HZ2 LYS 5 HZ2 LYS 5 4.874 4.522 3.420 50 HZ3 LYS 5 HZ3 LYS 5 5.900 3.406 4.170 51 H ILE 6 H ILE 6 7.580 2.736 -0.817 52 HA ILE 6 HA ILE 6 9.800 3.569 0.868 53 HB ILE 6 HB ILE 6 9.789 2.254 -1.852 54 HG12 ILE 6 HG12 ILE 6 10.797 0.374 -0.302 55 HG13 ILE 6 HG13 ILE 6 9.929 1.240 0.961 56 HG21 ILE 6 HG21 ILE 6 12.187 1.834 -1.398 57 HG22 ILE 6 HG22 ILE 6 11.803 3.545 -1.579 58 HG23 ILE 6 HG23 ILE 6 12.066 2.865 0.027 59 HD11 ILE 6 HD11 ILE 6 8.749 -0.710 -0.163 60 HD12 ILE 6 HD12 ILE 6 7.853 0.803 -0.016 61 HD13 ILE 6 HD13 ILE 6 8.577 0.352 -1.560 62 H ARG 7 H ARG 7 8.231 4.486 -2.144 63 HA ARG 7 HA ARG 7 10.054 6.231 -3.230 64 HB2 ARG 7 HB2 ARG 7 7.216 5.772 -3.442 65 HB3 ARG 7 HB3 ARG 7 7.557 7.496 -3.519 66 HG2 ARG 7 HG2 ARG 7 7.621 6.808 -5.736 67 HG3 ARG 7 HG3 ARG 7 9.321 6.875 -5.267 68 HD2 ARG 7 HD2 ARG 7 9.587 4.634 -5.414 69 HD3 ARG 7 HD3 ARG 7 7.960 4.297 -4.826 70 HE ARG 7 HE ARG 7 7.289 4.118 -6.993 71 HH11 ARG 7 HH11 ARG 7 10.202 6.022 -6.897 72 HH12 ARG 7 HH12 ARG 7 10.330 6.150 -8.620 73 HH21 ARG 7 HH21 ARG 7 7.447 4.279 -9.263 74 HH22 ARG 7 HH22 ARG 7 8.762 5.159 -9.965 75 H GLN 8 H GLN 8 7.564 7.000 -0.803 76 HA GLN 8 HA GLN 8 8.087 9.692 -0.477 77 HB2 GLN 8 HB2 GLN 8 6.943 9.562 1.587 78 HB3 GLN 8 HB3 GLN 8 6.232 8.311 0.577 79 HG2 GLN 8 HG2 GLN 8 7.580 6.622 1.700 80 HG3 GLN 8 HG3 GLN 8 8.319 7.871 2.701 81 HE21 GLN 8 HE21 GLN 8 7.070 8.896 4.289 82 HE22 GLN 8 HE22 GLN 8 5.613 8.189 4.889 83 H VAL 9 H VAL 9 9.928 6.952 0.595 84 HA VAL 9 HA VAL 9 11.538 8.466 2.457 85 HB VAL 9 HB VAL 9 11.172 5.675 1.809 86 HG11 VAL 9 HG11 VAL 9 13.295 5.815 0.674 87 HG12 VAL 9 HG12 VAL 9 14.017 6.647 2.052 88 HG13 VAL 9 HG13 VAL 9 13.510 4.964 2.203 89 HG21 VAL 9 HG21 VAL 9 11.976 5.378 4.088 90 HG22 VAL 9 HG22 VAL 9 12.534 7.051 4.125 91 HG23 VAL 9 HG23 VAL 9 10.810 6.699 4.008 92 H ILE 10 H ILE 10 11.738 7.383 -0.865 93 HA ILE 10 HA ILE 10 14.480 7.761 -1.303 94 HB ILE 10 HB ILE 10 12.286 8.212 -3.327 95 HG12 ILE 10 HG12 ILE 10 13.647 5.655 -2.457 96 HG13 ILE 10 HG13 ILE 10 11.943 6.055 -2.275 97 HG21 ILE 10 HG21 ILE 10 14.525 8.960 -4.003 98 HG22 ILE 10 HG22 ILE 10 15.153 7.346 -3.675 99 HG23 ILE 10 HG23 ILE 10 13.970 7.587 -4.960 100 HD11 ILE 10 HD11 ILE 10 13.442 5.165 -4.665 101 HD12 ILE 10 HD12 ILE 10 11.819 4.744 -4.116 102 HD13 ILE 10 HD13 ILE 10 12.109 6.294 -4.906 103 H ARG 11 H ARG 11 11.787 9.971 -2.088 104 HA ARG 11 HA ARG 11 11.693 12.231 -2.320 105 HB2 ARG 11 HB2 ARG 11 14.093 12.150 -0.482 106 HB3 ARG 11 HB3 ARG 11 13.145 13.583 -0.853 107 HG2 ARG 11 HG2 ARG 11 12.226 11.129 0.623 108 HG3 ARG 11 HG3 ARG 11 12.474 12.747 1.282 109 HD2 ARG 11 HD2 ARG 11 10.400 11.913 -0.742 110 HD3 ARG 11 HD3 ARG 11 10.114 12.359 0.940 111 HE ARG 11 HE ARG 11 11.394 14.408 -0.631 112 HH11 ARG 11 HH11 ARG 11 8.366 13.038 0.405 113 HH12 ARG 11 HH12 ARG 11 7.468 14.497 0.147 114 HH21 ARG 11 HH21 ARG 11 10.223 16.335 -0.975 115 HH22 ARG 11 HH22 ARG 11 8.525 16.371 -0.640 116 H LYS 12 H LYS 12 13.237 10.663 -4.218 117 HA LYS 12 HA LYS 12 15.663 11.731 -4.973 118 HB2 LYS 12 HB2 LYS 12 15.174 10.944 -7.223 119 HB3 LYS 12 HB3 LYS 12 14.620 9.768 -6.038 120 HG2 LYS 12 HG2 LYS 12 12.677 11.791 -7.011 121 HG3 LYS 12 HG3 LYS 12 13.135 10.478 -8.097 122 HD2 LYS 12 HD2 LYS 12 12.669 9.024 -5.928 123 HD3 LYS 12 HD3 LYS 12 11.629 10.395 -5.535 124 HE2 LYS 12 HE2 LYS 12 10.824 10.053 -8.022 125 HE3 LYS 12 HE3 LYS 12 11.421 8.417 -7.752 126 HZ1 LYS 12 HZ1 LYS 12 9.052 9.677 -6.755 127 HZ2 LYS 12 HZ2 LYS 12 9.959 8.958 -5.521 128 HZ3 LYS 12 HZ3 LYS 12 9.444 8.033 -6.840 Start of MODEL 6 1 H1 ARG 1 H ARG 1 0.833 -0.260 1.022 2 HA ARG 1 HA ARG 1 1.545 -0.839 -1.615 3 HB2 ARG 1 HB2 ARG 1 2.094 1.405 0.269 4 HB3 ARG 1 HB3 ARG 1 3.039 1.320 -1.211 5 HG2 ARG 1 HG2 ARG 1 0.032 1.376 -1.078 6 HG3 ARG 1 HG3 ARG 1 1.067 2.761 -1.428 7 HD2 ARG 1 HD2 ARG 1 1.998 1.026 -3.253 8 HD3 ARG 1 HD3 ARG 1 0.336 0.453 -3.122 9 HE ARG 1 HE ARG 1 0.481 3.286 -3.444 10 HH11 ARG 1 HH11 ARG 1 0.607 0.253 -5.148 11 HH12 ARG 1 HH12 ARG 1 0.071 0.926 -6.651 12 HH21 ARG 1 HH21 ARG 1 -0.225 4.184 -5.418 13 HH22 ARG 1 HH22 ARG 1 -0.401 3.163 -6.804 14 H LEU 2 H LEU 2 3.273 -1.753 -2.521 15 HA LEU 2 HA LEU 2 5.504 -2.515 -0.788 16 HB2 LEU 2 HB2 LEU 2 6.057 -4.151 -2.427 17 HB3 LEU 2 HB3 LEU 2 4.322 -4.236 -2.131 18 HG LEU 2 HG LEU 2 5.277 -2.612 -4.435 19 HD11 LEU 2 HD11 LEU 2 6.580 -4.480 -4.909 20 HD12 LEU 2 HD12 LEU 2 5.082 -4.788 -5.787 21 HD13 LEU 2 HD13 LEU 2 5.387 -5.601 -4.252 22 HD21 LEU 2 HD21 LEU 2 2.848 -4.123 -3.615 23 HD22 LEU 2 HD22 LEU 2 3.175 -3.919 -5.336 24 HD23 LEU 2 HD23 LEU 2 2.996 -2.504 -4.298 25 H PHE 3 H PHE 3 4.702 -0.197 -3.095 26 HA PHE 3 HA PHE 3 7.552 0.355 -3.604 27 HB2 PHE 3 HB2 PHE 3 5.177 0.516 -5.422 28 HB3 PHE 3 HB3 PHE 3 6.537 1.604 -5.678 29 HD1 PHE 3 HD1 PHE 3 5.180 -1.513 -6.493 30 HD2 PHE 3 HD2 PHE 3 8.892 0.418 -5.712 31 HE1 PHE 3 HE1 PHE 3 6.358 -3.285 -7.727 32 HE2 PHE 3 HE2 PHE 3 10.076 -1.351 -6.947 33 HZ PHE 3 HZ PHE 3 8.809 -3.207 -7.955 34 H ASP 4 H ASP 4 4.334 1.845 -3.351 35 HA ASP 4 HA ASP 4 5.053 4.503 -3.243 36 HB2 ASP 4 HB2 ASP 4 2.709 3.242 -3.067 37 HB3 ASP 4 HB3 ASP 4 2.939 3.589 -1.355 38 H LYS 5 H LYS 5 4.864 2.194 -0.550 39 HA LYS 5 HA LYS 5 5.456 3.875 1.556 40 HB2 LYS 5 HB2 LYS 5 6.338 1.012 1.144 41 HB3 LYS 5 HB3 LYS 5 6.399 1.866 2.680 42 HG2 LYS 5 HG2 LYS 5 3.931 1.185 1.096 43 HG3 LYS 5 HG3 LYS 5 4.456 0.452 2.614 44 HD2 LYS 5 HD2 LYS 5 3.044 1.957 3.526 45 HD3 LYS 5 HD3 LYS 5 4.407 3.060 3.320 46 HE2 LYS 5 HE2 LYS 5 3.218 3.195 0.874 47 HE3 LYS 5 HE3 LYS 5 1.824 2.960 1.928 48 HZ1 LYS 5 HZ1 LYS 5 3.667 4.894 2.955 49 HZ2 LYS 5 HZ2 LYS 5 1.999 5.022 2.705 50 HZ3 LYS 5 HZ3 LYS 5 3.071 5.327 1.432 51 H ILE 6 H ILE 6 7.583 2.577 -0.891 52 HA ILE 6 HA ILE 6 9.966 3.523 0.484 53 HB ILE 6 HB ILE 6 9.653 2.201 -2.214 54 HG12 ILE 6 HG12 ILE 6 10.958 0.381 -0.823 55 HG13 ILE 6 HG13 ILE 6 10.230 1.207 0.550 56 HG21 ILE 6 HG21 ILE 6 11.993 3.339 -0.785 57 HG22 ILE 6 HG22 ILE 6 12.220 1.830 -1.669 58 HG23 ILE 6 HG23 ILE 6 11.644 3.268 -2.513 59 HD11 ILE 6 HD11 ILE 6 8.063 0.663 -0.132 60 HD12 ILE 6 HD12 ILE 6 8.590 0.238 -1.761 61 HD13 ILE 6 HD13 ILE 6 9.006 -0.804 -0.400 62 H ARG 7 H ARG 7 7.964 4.352 -2.288 63 HA ARG 7 HA ARG 7 9.537 6.184 -3.600 64 HB2 ARG 7 HB2 ARG 7 6.725 5.577 -3.440 65 HB3 ARG 7 HB3 ARG 7 6.959 7.316 -3.545 66 HG2 ARG 7 HG2 ARG 7 6.757 6.615 -5.758 67 HG3 ARG 7 HG3 ARG 7 8.493 6.818 -5.520 68 HD2 ARG 7 HD2 ARG 7 8.892 4.543 -5.513 69 HD3 ARG 7 HD3 ARG 7 7.240 4.152 -5.040 70 HE ARG 7 HE ARG 7 6.637 4.152 -7.253 71 HH11 ARG 7 HH11 ARG 7 9.774 5.620 -6.908 72 HH12 ARG 7 HH12 ARG 7 10.077 5.680 -8.613 73 HH21 ARG 7 HH21 ARG 7 7.024 4.225 -9.499 74 HH22 ARG 7 HH22 ARG 7 8.512 4.887 -10.086 75 H GLN 8 H GLN 8 7.356 6.830 -0.860 76 HA GLN 8 HA GLN 8 7.779 9.547 -0.595 77 HB2 GLN 8 HB2 GLN 8 6.925 9.365 1.601 78 HB3 GLN 8 HB3 GLN 8 6.153 8.074 0.689 79 HG2 GLN 8 HG2 GLN 8 7.724 6.463 1.619 80 HG3 GLN 8 HG3 GLN 8 8.522 7.753 2.518 81 HE21 GLN 8 HE21 GLN 8 7.905 6.046 4.200 82 HE22 GLN 8 HE22 GLN 8 6.400 6.300 5.009 83 H VAL 9 H VAL 9 9.887 6.911 0.200 84 HA VAL 9 HA VAL 9 11.650 8.514 1.838 85 HB VAL 9 HB VAL 9 11.339 5.704 1.249 86 HG11 VAL 9 HG11 VAL 9 14.140 6.814 1.107 87 HG12 VAL 9 HG12 VAL 9 13.741 5.109 1.325 88 HG13 VAL 9 HG13 VAL 9 13.282 5.940 -0.162 89 HG21 VAL 9 HG21 VAL 9 11.227 6.733 3.474 90 HG22 VAL 9 HG22 VAL 9 12.447 5.461 3.402 91 HG23 VAL 9 HG23 VAL 9 12.936 7.155 3.359 92 H ILE 10 H ILE 10 11.449 7.434 -1.481 93 HA ILE 10 HA ILE 10 14.091 7.939 -2.280 94 HB ILE 10 HB ILE 10 11.626 8.258 -3.993 95 HG12 ILE 10 HG12 ILE 10 13.226 5.785 -3.305 96 HG13 ILE 10 HG13 ILE 10 11.539 6.094 -2.909 97 HG21 ILE 10 HG21 ILE 10 14.285 8.751 -4.567 98 HG22 ILE 10 HG22 ILE 10 14.004 7.137 -5.217 99 HG23 ILE 10 HG23 ILE 10 12.993 8.485 -5.738 100 HD11 ILE 10 HD11 ILE 10 11.251 4.765 -4.716 101 HD12 ILE 10 HD12 ILE 10 11.366 6.318 -5.545 102 HD13 ILE 10 HD13 ILE 10 12.771 5.256 -5.462 103 H ARG 11 H ARG 11 11.210 9.998 -2.742 104 HA ARG 11 HA ARG 11 10.969 12.249 -2.965 105 HB2 ARG 11 HB2 ARG 11 13.577 12.324 -1.436 106 HB3 ARG 11 HB3 ARG 11 12.497 13.689 -1.681 107 HG2 ARG 11 HG2 ARG 11 11.938 11.189 -0.104 108 HG3 ARG 11 HG3 ARG 11 12.153 12.826 0.519 109 HD2 ARG 11 HD2 ARG 11 9.905 11.833 -1.227 110 HD3 ARG 11 HD3 ARG 11 9.802 12.278 0.476 111 HE ARG 11 HE ARG 11 10.732 14.391 -1.249 112 HH11 ARG 11 HH11 ARG 11 7.960 12.832 0.167 113 HH12 ARG 11 HH12 ARG 11 6.939 14.224 0.021 114 HH21 ARG 11 HH21 ARG 11 9.397 16.230 -1.447 115 HH22 ARG 11 HH22 ARG 11 7.757 16.156 -0.899 116 H LYS 12 H LYS 12 12.379 10.732 -5.017 117 HA LYS 12 HA LYS 12 13.764 12.982 -6.296 118 HB2 LYS 12 HB2 LYS 12 14.824 10.269 -5.753 119 HB3 LYS 12 HB3 LYS 12 15.145 10.921 -7.355 120 HG2 LYS 12 HG2 LYS 12 16.990 11.651 -6.231 121 HG3 LYS 12 HG3 LYS 12 15.913 13.030 -5.996 122 HD2 LYS 12 HD2 LYS 12 15.447 12.434 -3.782 123 HD3 LYS 12 HD3 LYS 12 16.022 10.781 -4.011 124 HE2 LYS 12 HE2 LYS 12 18.279 11.467 -4.038 125 HE3 LYS 12 HE3 LYS 12 17.842 13.164 -4.235 126 HZ1 LYS 12 HZ1 LYS 12 18.557 12.276 -1.926 127 HZ2 LYS 12 HZ2 LYS 12 16.966 11.711 -1.833 128 HZ3 LYS 12 HZ3 LYS 12 17.266 13.364 -2.035 Start of MODEL 7 1 H1 ARG 1 H ARG 1 1.692 0.963 0.749 2 HA ARG 1 HA ARG 1 1.724 -0.683 -1.595 3 HB2 ARG 1 HB2 ARG 1 2.067 2.129 -0.954 4 HB3 ARG 1 HB3 ARG 1 3.248 1.587 -2.139 5 HG2 ARG 1 HG2 ARG 1 0.335 0.979 -2.471 6 HG3 ARG 1 HG3 ARG 1 1.016 2.527 -2.975 7 HD2 ARG 1 HD2 ARG 1 2.283 1.580 -4.646 8 HD3 ARG 1 HD3 ARG 1 2.343 0.007 -3.852 9 HE ARG 1 HE ARG 1 -0.307 0.588 -4.612 10 HH11 ARG 1 HH11 ARG 1 2.778 -0.272 -5.977 11 HH12 ARG 1 HH12 ARG 1 2.093 -1.063 -7.358 12 HH21 ARG 1 HH21 ARG 1 -1.221 -0.450 -6.426 13 HH22 ARG 1 HH22 ARG 1 -0.182 -1.162 -7.613 14 H LEU 2 H LEU 2 3.414 -1.667 -2.591 15 HA LEU 2 HA LEU 2 5.799 -2.091 -1.015 16 HB2 LEU 2 HB2 LEU 2 6.230 -3.899 -2.372 17 HB3 LEU 2 HB3 LEU 2 4.470 -3.815 -2.416 18 HG LEU 2 HG LEU 2 6.290 -2.734 -4.566 19 HD11 LEU 2 HD11 LEU 2 4.583 -5.170 -4.846 20 HD12 LEU 2 HD12 LEU 2 6.198 -5.292 -4.150 21 HD13 LEU 2 HD13 LEU 2 5.989 -4.671 -5.787 22 HD21 LEU 2 HD21 LEU 2 4.102 -2.830 -5.858 23 HD22 LEU 2 HD22 LEU 2 4.257 -1.554 -4.650 24 HD23 LEU 2 HD23 LEU 2 3.309 -2.998 -4.292 25 H PHE 3 H PHE 3 4.910 0.315 -3.003 26 HA PHE 3 HA PHE 3 7.689 0.850 -3.785 27 HB2 PHE 3 HB2 PHE 3 5.244 0.954 -5.527 28 HB3 PHE 3 HB3 PHE 3 6.632 1.981 -5.871 29 HD1 PHE 3 HD1 PHE 3 5.131 -0.935 -6.803 30 HD2 PHE 3 HD2 PHE 3 8.953 0.529 -5.637 31 HE1 PHE 3 HE1 PHE 3 6.205 -2.798 -7.998 32 HE2 PHE 3 HE2 PHE 3 10.034 -1.331 -6.832 33 HZ PHE 3 HZ PHE 3 8.659 -2.998 -8.013 34 H ASP 4 H ASP 4 4.451 2.345 -3.727 35 HA ASP 4 HA ASP 4 5.221 4.991 -3.556 36 HB2 ASP 4 HB2 ASP 4 2.813 3.506 -3.213 37 HB3 ASP 4 HB3 ASP 4 2.945 4.641 -1.873 38 H LYS 5 H LYS 5 4.640 2.718 -0.885 39 HA LYS 5 HA LYS 5 5.096 4.430 1.246 40 HB2 LYS 5 HB2 LYS 5 5.768 1.492 1.009 41 HB3 LYS 5 HB3 LYS 5 5.727 2.389 2.521 42 HG2 LYS 5 HG2 LYS 5 3.382 1.988 0.674 43 HG3 LYS 5 HG3 LYS 5 3.691 1.076 2.154 44 HD2 LYS 5 HD2 LYS 5 3.281 4.063 2.001 45 HD3 LYS 5 HD3 LYS 5 2.053 2.891 2.483 46 HE2 LYS 5 HE2 LYS 5 3.736 2.147 4.265 47 HE3 LYS 5 HE3 LYS 5 4.590 3.646 3.902 48 HZ1 LYS 5 HZ1 LYS 5 1.715 3.737 4.505 49 HZ2 LYS 5 HZ2 LYS 5 2.899 4.921 4.744 50 HZ3 LYS 5 HZ3 LYS 5 2.821 3.583 5.777 51 H ILE 6 H ILE 6 7.351 2.993 -0.967 52 HA ILE 6 HA ILE 6 9.651 3.681 0.676 53 HB ILE 6 HB ILE 6 9.515 2.485 -2.094 54 HG12 ILE 6 HG12 ILE 6 10.491 0.503 -0.651 55 HG13 ILE 6 HG13 ILE 6 9.681 1.342 0.667 56 HG21 ILE 6 HG21 ILE 6 11.630 3.250 -2.191 57 HG22 ILE 6 HG22 ILE 6 11.747 3.456 -0.444 58 HG23 ILE 6 HG23 ILE 6 11.972 1.861 -1.160 59 HD11 ILE 6 HD11 ILE 6 8.244 0.614 -1.858 60 HD12 ILE 6 HD12 ILE 6 8.407 -0.512 -0.510 61 HD13 ILE 6 HD13 ILE 6 7.571 1.023 -0.281 62 H ARG 7 H ARG 7 8.018 4.776 -2.239 63 HA ARG 7 HA ARG 7 9.867 6.499 -3.318 64 HB2 ARG 7 HB2 ARG 7 7.018 6.135 -3.465 65 HB3 ARG 7 HB3 ARG 7 7.394 7.852 -3.451 66 HG2 ARG 7 HG2 ARG 7 7.347 7.242 -5.711 67 HG3 ARG 7 HG3 ARG 7 9.059 7.355 -5.297 68 HD2 ARG 7 HD2 ARG 7 9.362 5.068 -5.361 69 HD3 ARG 7 HD3 ARG 7 7.657 4.731 -5.061 70 HE ARG 7 HE ARG 7 7.269 4.844 -7.318 71 HH11 ARG 7 HH11 ARG 7 10.408 6.176 -6.618 72 HH12 ARG 7 HH12 ARG 7 10.871 6.298 -8.283 73 HH21 ARG 7 HH21 ARG 7 7.867 5.000 -9.513 74 HH22 ARG 7 HH22 ARG 7 9.425 5.630 -9.929 75 H GLN 8 H GLN 8 7.489 7.253 -0.776 76 HA GLN 8 HA GLN 8 8.123 9.910 -0.360 77 HB2 GLN 8 HB2 GLN 8 7.046 9.735 1.739 78 HB3 GLN 8 HB3 GLN 8 6.248 8.564 0.697 79 HG2 GLN 8 HG2 GLN 8 7.548 6.768 1.695 80 HG3 GLN 8 HG3 GLN 8 8.384 7.933 2.721 81 HE21 GLN 8 HE21 GLN 8 7.692 7.775 4.721 82 HE22 GLN 8 HE22 GLN 8 6.053 7.562 5.222 83 H VAL 9 H VAL 9 9.895 7.064 0.530 84 HA VAL 9 HA VAL 9 11.617 8.437 2.402 85 HB VAL 9 HB VAL 9 11.128 5.691 1.649 86 HG11 VAL 9 HG11 VAL 9 13.220 5.802 0.457 87 HG12 VAL 9 HG12 VAL 9 14.012 6.551 1.845 88 HG13 VAL 9 HG13 VAL 9 13.449 4.882 1.943 89 HG21 VAL 9 HG21 VAL 9 10.873 6.649 3.899 90 HG22 VAL 9 HG22 VAL 9 11.965 5.264 3.889 91 HG23 VAL 9 HG23 VAL 9 12.617 6.900 3.978 92 H ILE 10 H ILE 10 11.661 7.512 -0.969 93 HA ILE 10 HA ILE 10 14.405 7.806 -1.480 94 HB ILE 10 HB ILE 10 12.168 8.412 -3.413 95 HG12 ILE 10 HG12 ILE 10 13.456 5.775 -2.679 96 HG13 ILE 10 HG13 ILE 10 11.772 6.229 -2.439 97 HG21 ILE 10 HG21 ILE 10 14.418 9.102 -4.125 98 HG22 ILE 10 HG22 ILE 10 14.986 7.450 -3.887 99 HG23 ILE 10 HG23 ILE 10 13.776 7.797 -5.122 100 HD11 ILE 10 HD11 ILE 10 13.184 5.398 -4.907 101 HD12 ILE 10 HD12 ILE 10 11.574 4.978 -4.321 102 HD13 ILE 10 HD13 ILE 10 11.861 6.556 -5.055 103 H ARG 11 H ARG 11 11.766 10.131 -2.093 104 HA ARG 11 HA ARG 11 11.740 12.401 -2.230 105 HB2 ARG 11 HB2 ARG 11 14.201 12.176 -0.486 106 HB3 ARG 11 HB3 ARG 11 13.276 13.646 -0.759 107 HG2 ARG 11 HG2 ARG 11 12.342 11.151 0.639 108 HG3 ARG 11 HG3 ARG 11 12.670 12.726 1.365 109 HD2 ARG 11 HD2 ARG 11 10.519 12.124 -0.663 110 HD3 ARG 11 HD3 ARG 11 10.270 12.351 1.068 111 HE ARG 11 HE ARG 11 10.682 14.398 -0.910 112 HH11 ARG 11 HH11 ARG 11 10.906 13.582 2.466 113 HH12 ARG 11 HH12 ARG 11 10.803 15.225 3.005 114 HH21 ARG 11 HH21 ARG 11 10.544 16.566 -0.214 115 HH22 ARG 11 HH22 ARG 11 10.596 16.922 1.480 116 H LYS 12 H LYS 12 13.170 10.859 -4.238 117 HA LYS 12 HA LYS 12 15.604 11.889 -5.031 118 HB2 LYS 12 HB2 LYS 12 15.010 11.204 -7.299 119 HB3 LYS 12 HB3 LYS 12 14.509 9.988 -6.131 120 HG2 LYS 12 HG2 LYS 12 12.506 12.032 -6.877 121 HG3 LYS 12 HG3 LYS 12 12.936 10.837 -8.102 122 HD2 LYS 12 HD2 LYS 12 12.550 9.561 -5.554 123 HD3 LYS 12 HD3 LYS 12 11.138 10.534 -5.971 124 HE2 LYS 12 HE2 LYS 12 10.738 8.400 -6.889 125 HE3 LYS 12 HE3 LYS 12 11.215 9.421 -8.245 126 HZ1 LYS 12 HZ1 LYS 12 13.551 8.514 -7.767 127 HZ2 LYS 12 HZ2 LYS 12 12.446 7.505 -8.554 128 HZ3 LYS 12 HZ3 LYS 12 12.757 7.295 -6.905 Start of MODEL 8 1 H1 ARG 1 H ARG 1 2.474 -0.031 1.344 2 HA ARG 1 HA ARG 1 1.733 -0.658 -1.300 3 HB2 ARG 1 HB2 ARG 1 2.233 2.148 -0.755 4 HB3 ARG 1 HB3 ARG 1 3.361 1.514 -1.946 5 HG2 ARG 1 HG2 ARG 1 0.391 1.134 -2.168 6 HG3 ARG 1 HG3 ARG 1 1.233 2.532 -2.839 7 HD2 ARG 1 HD2 ARG 1 2.388 1.248 -4.393 8 HD3 ARG 1 HD3 ARG 1 2.149 -0.243 -3.482 9 HE ARG 1 HE ARG 1 -0.364 0.607 -4.242 10 HH11 ARG 1 HH11 ARG 1 2.593 -0.340 -5.817 11 HH12 ARG 1 HH12 ARG 1 1.797 -0.958 -7.227 12 HH21 ARG 1 HH21 ARG 1 -1.423 -0.203 -6.094 13 HH22 ARG 1 HH22 ARG 1 -0.487 -0.878 -7.384 14 H LEU 2 H LEU 2 3.538 -1.297 -2.608 15 HA LEU 2 HA LEU 2 5.864 -2.005 -0.984 16 HB2 LEU 2 HB2 LEU 2 6.338 -3.673 -2.622 17 HB3 LEU 2 HB3 LEU 2 4.626 -3.764 -2.216 18 HG LEU 2 HG LEU 2 5.408 -2.178 -4.607 19 HD11 LEU 2 HD11 LEU 2 5.933 -3.926 -5.953 20 HD12 LEU 2 HD12 LEU 2 4.989 -5.081 -5.013 21 HD13 LEU 2 HD13 LEU 2 6.575 -4.564 -4.439 22 HD21 LEU 2 HD21 LEU 2 3.283 -3.573 -5.339 23 HD22 LEU 2 HD22 LEU 2 3.141 -2.113 -4.360 24 HD23 LEU 2 HD23 LEU 2 3.066 -3.700 -3.594 25 H PHE 3 H PHE 3 4.993 0.432 -2.995 26 HA PHE 3 HA PHE 3 7.789 0.932 -3.750 27 HB2 PHE 3 HB2 PHE 3 5.343 1.149 -5.490 28 HB3 PHE 3 HB3 PHE 3 6.799 2.077 -5.837 29 HD1 PHE 3 HD1 PHE 3 5.134 -0.587 -6.967 30 HD2 PHE 3 HD2 PHE 3 8.980 0.324 -5.388 31 HE1 PHE 3 HE1 PHE 3 6.077 -2.523 -8.157 32 HE2 PHE 3 HE2 PHE 3 9.930 -1.610 -6.575 33 HZ PHE 3 HZ PHE 3 8.478 -3.036 -7.963 34 H ASP 4 H ASP 4 4.562 2.405 -3.474 35 HA ASP 4 HA ASP 4 5.367 5.069 -3.356 36 HB2 ASP 4 HB2 ASP 4 2.952 3.566 -2.846 37 HB3 ASP 4 HB3 ASP 4 3.141 4.851 -1.657 38 H LYS 5 H LYS 5 4.811 2.774 -0.697 39 HA LYS 5 HA LYS 5 5.339 4.454 1.442 40 HB2 LYS 5 HB2 LYS 5 6.060 1.525 1.219 41 HB3 LYS 5 HB3 LYS 5 5.874 2.434 2.714 42 HG2 LYS 5 HG2 LYS 5 3.707 1.828 0.713 43 HG3 LYS 5 HG3 LYS 5 3.917 1.079 2.297 44 HD2 LYS 5 HD2 LYS 5 3.511 3.197 3.392 45 HD3 LYS 5 HD3 LYS 5 3.425 4.020 1.833 46 HE2 LYS 5 HE2 LYS 5 1.420 2.862 1.253 47 HE3 LYS 5 HE3 LYS 5 1.568 1.791 2.646 48 HZ1 LYS 5 HZ1 LYS 5 -0.052 3.749 2.780 49 HZ2 LYS 5 HZ2 LYS 5 1.322 4.709 3.004 50 HZ3 LYS 5 HZ3 LYS 5 0.967 3.472 4.102 51 H ILE 6 H ILE 6 7.529 3.006 -0.832 52 HA ILE 6 HA ILE 6 9.871 3.654 0.767 53 HB ILE 6 HB ILE 6 9.663 2.478 -2.008 54 HG12 ILE 6 HG12 ILE 6 10.639 0.473 -0.601 55 HG13 ILE 6 HG13 ILE 6 9.873 1.315 0.742 56 HG21 ILE 6 HG21 ILE 6 11.826 2.921 -2.227 57 HG22 ILE 6 HG22 ILE 6 11.880 3.625 -0.612 58 HG23 ILE 6 HG23 ILE 6 12.148 1.896 -0.828 59 HD11 ILE 6 HD11 ILE 6 7.737 1.028 -0.154 60 HD12 ILE 6 HD12 ILE 6 8.365 0.628 -1.753 61 HD13 ILE 6 HD13 ILE 6 8.547 -0.515 -0.423 62 H ARG 7 H ARG 7 8.190 4.789 -2.106 63 HA ARG 7 HA ARG 7 10.037 6.496 -3.214 64 HB2 ARG 7 HB2 ARG 7 7.184 6.164 -3.306 65 HB3 ARG 7 HB3 ARG 7 7.576 7.878 -3.282 66 HG2 ARG 7 HG2 ARG 7 7.472 7.281 -5.548 67 HG3 ARG 7 HG3 ARG 7 9.192 7.395 -5.169 68 HD2 ARG 7 HD2 ARG 7 9.498 5.108 -5.258 69 HD3 ARG 7 HD3 ARG 7 7.801 4.765 -4.923 70 HE ARG 7 HE ARG 7 7.362 4.896 -7.170 71 HH11 ARG 7 HH11 ARG 7 10.515 6.227 -6.529 72 HH12 ARG 7 HH12 ARG 7 10.941 6.363 -8.203 73 HH21 ARG 7 HH21 ARG 7 7.912 5.069 -9.377 74 HH22 ARG 7 HH22 ARG 7 9.460 5.705 -9.822 75 H GLN 8 H GLN 8 7.724 7.262 -0.617 76 HA GLN 8 HA GLN 8 8.400 9.908 -0.198 77 HB2 GLN 8 HB2 GLN 8 7.365 9.733 1.921 78 HB3 GLN 8 HB3 GLN 8 6.532 8.578 0.890 79 HG2 GLN 8 HG2 GLN 8 7.832 6.761 1.851 80 HG3 GLN 8 HG3 GLN 8 8.703 7.910 2.865 81 HE21 GLN 8 HE21 GLN 8 7.932 6.561 4.617 82 HE22 GLN 8 HE22 GLN 8 6.347 6.824 5.253 83 H VAL 9 H VAL 9 10.156 7.036 0.634 84 HA VAL 9 HA VAL 9 11.935 8.376 2.476 85 HB VAL 9 HB VAL 9 11.395 5.640 1.719 86 HG11 VAL 9 HG11 VAL 9 14.293 6.464 1.856 87 HG12 VAL 9 HG12 VAL 9 13.712 4.800 1.957 88 HG13 VAL 9 HG13 VAL 9 13.462 5.735 0.482 89 HG21 VAL 9 HG21 VAL 9 12.314 5.196 3.937 90 HG22 VAL 9 HG22 VAL 9 12.927 6.848 4.022 91 HG23 VAL 9 HG23 VAL 9 11.189 6.553 3.979 92 H ILE 10 H ILE 10 11.894 7.471 -0.900 93 HA ILE 10 HA ILE 10 14.630 7.733 -1.468 94 HB ILE 10 HB ILE 10 12.360 8.378 -3.350 95 HG12 ILE 10 HG12 ILE 10 13.629 5.721 -2.658 96 HG13 ILE 10 HG13 ILE 10 11.957 6.195 -2.379 97 HG21 ILE 10 HG21 ILE 10 15.153 7.380 -3.892 98 HG22 ILE 10 HG22 ILE 10 13.921 7.755 -5.096 99 HG23 ILE 10 HG23 ILE 10 14.605 9.043 -4.104 100 HD11 ILE 10 HD11 ILE 10 12.016 6.539 -5.003 101 HD12 ILE 10 HD12 ILE 10 13.299 5.337 -4.870 102 HD13 ILE 10 HD13 ILE 10 11.684 4.973 -4.263 103 H ARG 11 H ARG 11 12.008 10.095 -2.012 104 HA ARG 11 HA ARG 11 12.007 12.365 -2.136 105 HB2 ARG 11 HB2 ARG 11 14.498 12.097 -0.443 106 HB3 ARG 11 HB3 ARG 11 13.591 13.582 -0.692 107 HG2 ARG 11 HG2 ARG 11 12.656 11.097 0.721 108 HG3 ARG 11 HG3 ARG 11 13.004 12.672 1.437 109 HD2 ARG 11 HD2 ARG 11 10.789 12.012 -0.499 110 HD3 ARG 11 HD3 ARG 11 10.616 12.391 1.214 111 HE ARG 11 HE ARG 11 11.888 14.459 -0.337 112 HH11 ARG 11 HH11 ARG 11 8.871 13.161 0.816 113 HH12 ARG 11 HH12 ARG 11 8.020 14.664 0.675 114 HH21 ARG 11 HH21 ARG 11 10.780 16.444 -0.527 115 HH22 ARG 11 HH22 ARG 11 9.107 16.530 -0.090 116 H LYS 12 H LYS 12 13.385 10.811 -4.177 117 HA LYS 12 HA LYS 12 15.811 11.817 -5.015 118 HB2 LYS 12 HB2 LYS 12 15.175 11.141 -7.267 119 HB3 LYS 12 HB3 LYS 12 14.650 9.936 -6.099 120 HG2 LYS 12 HG2 LYS 12 12.717 12.050 -6.869 121 HG3 LYS 12 HG3 LYS 12 13.079 10.785 -8.045 122 HD2 LYS 12 HD2 LYS 12 12.653 9.167 -6.065 123 HD3 LYS 12 HD3 LYS 12 11.835 10.548 -5.330 124 HE2 LYS 12 HE2 LYS 12 10.188 9.257 -6.472 125 HE3 LYS 12 HE3 LYS 12 10.454 10.727 -7.407 126 HZ1 LYS 12 HZ1 LYS 12 12.040 8.374 -8.104 127 HZ2 LYS 12 HZ2 LYS 12 11.415 9.589 -9.100 128 HZ3 LYS 12 HZ3 LYS 12 10.402 8.361 -8.528 Start of MODEL 9 1 H1 ARG 1 H ARG 1 1.443 0.424 0.831 2 HA ARG 1 HA ARG 1 1.877 -1.164 -1.302 3 HB2 ARG 1 HB2 ARG 1 2.104 1.688 -0.791 4 HB3 ARG 1 HB3 ARG 1 3.213 1.162 -2.051 5 HG2 ARG 1 HG2 ARG 1 0.306 0.429 -2.094 6 HG3 ARG 1 HG3 ARG 1 0.903 1.947 -2.768 7 HD2 ARG 1 HD2 ARG 1 2.616 0.249 -3.929 8 HD3 ARG 1 HD3 ARG 1 1.235 -0.829 -3.735 9 HE ARG 1 HE ARG 1 1.493 1.269 -5.624 10 HH11 ARG 1 HH11 ARG 1 -0.825 -0.320 -3.569 11 HH12 ARG 1 HH12 ARG 1 -2.179 0.064 -4.579 12 HH21 ARG 1 HH21 ARG 1 -0.282 1.780 -6.962 13 HH22 ARG 1 HH22 ARG 1 -1.869 1.258 -6.510 14 H LEU 2 H LEU 2 3.550 -2.059 -2.416 15 HA LEU 2 HA LEU 2 6.059 -2.315 -1.008 16 HB2 LEU 2 HB2 LEU 2 6.502 -4.118 -2.367 17 HB3 LEU 2 HB3 LEU 2 4.741 -4.137 -2.289 18 HG LEU 2 HG LEU 2 6.339 -2.989 -4.576 19 HD11 LEU 2 HD11 LEU 2 6.738 -5.320 -4.592 20 HD12 LEU 2 HD12 LEU 2 5.469 -5.024 -5.780 21 HD13 LEU 2 HD13 LEU 2 5.058 -5.684 -4.197 22 HD21 LEU 2 HD21 LEU 2 3.402 -3.466 -4.128 23 HD22 LEU 2 HD22 LEU 2 4.103 -3.188 -5.722 24 HD23 LEU 2 HD23 LEU 2 4.216 -1.941 -4.479 25 H PHE 3 H PHE 3 4.892 -0.004 -2.971 26 HA PHE 3 HA PHE 3 7.576 0.680 -3.946 27 HB2 PHE 3 HB2 PHE 3 5.015 0.625 -5.520 28 HB3 PHE 3 HB3 PHE 3 6.333 1.698 -5.978 29 HD1 PHE 3 HD1 PHE 3 4.901 -1.149 -6.963 30 HD2 PHE 3 HD2 PHE 3 8.719 0.199 -5.651 31 HE1 PHE 3 HE1 PHE 3 5.970 -2.995 -8.189 32 HE2 PHE 3 HE2 PHE 3 9.794 -1.645 -6.875 33 HZ PHE 3 HZ PHE 3 8.419 -3.246 -8.145 34 H ASP 4 H ASP 4 4.265 1.984 -3.698 35 HA ASP 4 HA ASP 4 4.886 4.673 -3.617 36 HB2 ASP 4 HB2 ASP 4 2.602 3.033 -3.013 37 HB3 ASP 4 HB3 ASP 4 2.750 4.306 -1.805 38 H LYS 5 H LYS 5 4.610 2.422 -0.879 39 HA LYS 5 HA LYS 5 5.105 4.202 1.189 40 HB2 LYS 5 HB2 LYS 5 5.925 1.300 0.965 41 HB3 LYS 5 HB3 LYS 5 5.917 2.226 2.459 42 HG2 LYS 5 HG2 LYS 5 3.503 1.635 0.758 43 HG3 LYS 5 HG3 LYS 5 3.944 0.801 2.250 44 HD2 LYS 5 HD2 LYS 5 3.326 3.745 2.002 45 HD3 LYS 5 HD3 LYS 5 2.224 2.515 2.626 46 HE2 LYS 5 HE2 LYS 5 3.866 2.004 4.403 47 HE3 LYS 5 HE3 LYS 5 4.885 3.311 3.803 48 HZ1 LYS 5 HZ1 LYS 5 3.255 3.740 5.748 49 HZ2 LYS 5 HZ2 LYS 5 2.090 3.866 4.529 50 HZ3 LYS 5 HZ3 LYS 5 3.424 4.906 4.534 51 H ILE 6 H ILE 6 7.287 2.848 -1.144 52 HA ILE 6 HA ILE 6 9.648 3.682 0.337 53 HB ILE 6 HB ILE 6 9.398 2.435 -2.403 54 HG12 ILE 6 HG12 ILE 6 10.570 0.532 -1.003 55 HG13 ILE 6 HG13 ILE 6 9.805 1.349 0.356 56 HG21 ILE 6 HG21 ILE 6 11.645 3.635 -0.987 57 HG22 ILE 6 HG22 ILE 6 11.952 1.980 -1.512 58 HG23 ILE 6 HG23 ILE 6 11.477 3.204 -2.689 59 HD11 ILE 6 HD11 ILE 6 7.657 0.904 -0.444 60 HD12 ILE 6 HD12 ILE 6 8.247 0.501 -2.057 61 HD13 ILE 6 HD13 ILE 6 8.557 -0.589 -0.707 62 H ARG 7 H ARG 7 7.761 4.652 -2.464 63 HA ARG 7 HA ARG 7 9.438 6.446 -3.698 64 HB2 ARG 7 HB2 ARG 7 6.608 5.944 -3.626 65 HB3 ARG 7 HB3 ARG 7 6.899 7.678 -3.656 66 HG2 ARG 7 HG2 ARG 7 6.719 7.050 -5.900 67 HG3 ARG 7 HG3 ARG 7 8.452 7.226 -5.617 68 HD2 ARG 7 HD2 ARG 7 8.854 5.026 -5.910 69 HD3 ARG 7 HD3 ARG 7 7.355 4.542 -5.119 70 HE ARG 7 HE ARG 7 6.493 5.579 -7.455 71 HH11 ARG 7 HH11 ARG 7 8.914 3.207 -6.663 72 HH12 ARG 7 HH12 ARG 7 8.717 2.322 -8.140 73 HH21 ARG 7 HH21 ARG 7 6.224 4.423 -9.403 74 HH22 ARG 7 HH22 ARG 7 7.187 3.015 -9.698 75 H GLN 8 H GLN 8 7.225 7.123 -0.991 76 HA GLN 8 HA GLN 8 7.760 9.812 -0.653 77 HB2 GLN 8 HB2 GLN 8 6.856 9.616 1.526 78 HB3 GLN 8 HB3 GLN 8 6.036 8.398 0.557 79 HG2 GLN 8 HG2 GLN 8 7.485 6.672 1.469 80 HG3 GLN 8 HG3 GLN 8 8.348 7.884 2.414 81 HE21 GLN 8 HE21 GLN 8 7.679 8.233 4.410 82 HE22 GLN 8 HE22 GLN 8 6.151 7.761 5.063 83 H VAL 9 H VAL 9 9.730 7.067 0.129 84 HA VAL 9 HA VAL 9 11.521 8.551 1.846 85 HB VAL 9 HB VAL 9 11.103 5.771 1.178 86 HG11 VAL 9 HG11 VAL 9 13.091 5.952 -0.172 87 HG12 VAL 9 HG12 VAL 9 13.951 6.763 1.139 88 HG13 VAL 9 HG13 VAL 9 13.475 5.073 1.307 89 HG21 VAL 9 HG21 VAL 9 12.716 7.083 3.364 90 HG22 VAL 9 HG22 VAL 9 10.980 6.775 3.426 91 HG23 VAL 9 HG23 VAL 9 12.113 5.426 3.355 92 H ILE 10 H ILE 10 11.351 7.564 -1.503 93 HA ILE 10 HA ILE 10 14.031 7.965 -2.229 94 HB ILE 10 HB ILE 10 11.622 8.435 -3.986 95 HG12 ILE 10 HG12 ILE 10 13.103 5.881 -3.330 96 HG13 ILE 10 HG13 ILE 10 11.421 6.249 -2.965 97 HG21 ILE 10 HG21 ILE 10 13.036 8.661 -5.691 98 HG22 ILE 10 HG22 ILE 10 14.315 8.825 -4.489 99 HG23 ILE 10 HG23 ILE 10 13.970 7.248 -5.199 100 HD11 ILE 10 HD11 ILE 10 11.303 6.543 -5.589 101 HD12 ILE 10 HD12 ILE 10 12.680 5.443 -5.519 102 HD13 ILE 10 HD13 ILE 10 11.135 4.969 -4.812 103 H ARG 11 H ARG 11 11.259 10.166 -2.698 104 HA ARG 11 HA ARG 11 11.126 12.430 -2.867 105 HB2 ARG 11 HB2 ARG 11 13.703 12.348 -1.287 106 HB3 ARG 11 HB3 ARG 11 12.688 13.766 -1.516 107 HG2 ARG 11 HG2 ARG 11 11.981 11.251 -0.024 108 HG3 ARG 11 HG3 ARG 11 12.273 12.853 0.656 109 HD2 ARG 11 HD2 ARG 11 10.022 12.091 -1.202 110 HD3 ARG 11 HD3 ARG 11 9.885 12.366 0.534 111 HE ARG 11 HE ARG 11 10.004 14.355 -1.525 112 HH11 ARG 11 HH11 ARG 11 10.681 13.690 1.824 113 HH12 ARG 11 HH12 ARG 11 10.573 15.349 2.311 114 HH21 ARG 11 HH21 ARG 11 9.859 16.543 -0.898 115 HH22 ARG 11 HH22 ARG 11 10.104 16.971 0.762 116 H LYS 12 H LYS 12 12.541 10.881 -4.913 117 HA LYS 12 HA LYS 12 14.030 13.105 -6.120 118 HB2 LYS 12 HB2 LYS 12 14.982 10.347 -5.601 119 HB3 LYS 12 HB3 LYS 12 15.371 11.020 -7.178 120 HG2 LYS 12 HG2 LYS 12 17.208 11.646 -5.970 121 HG3 LYS 12 HG3 LYS 12 16.183 13.070 -5.776 122 HD2 LYS 12 HD2 LYS 12 15.548 12.432 -3.590 123 HD3 LYS 12 HD3 LYS 12 16.192 10.802 -3.798 124 HE2 LYS 12 HE2 LYS 12 18.466 11.855 -4.043 125 HE3 LYS 12 HE3 LYS 12 17.731 13.379 -3.546 126 HZ1 LYS 12 HZ1 LYS 12 16.907 11.631 -1.643 127 HZ2 LYS 12 HZ2 LYS 12 18.197 12.713 -1.488 128 HZ3 LYS 12 HZ3 LYS 12 18.487 11.114 -1.956 Start of MODEL 10 1 H1 ARG 1 H ARG 1 2.189 0.040 1.308 2 HA ARG 1 HA ARG 1 1.702 -0.755 -1.462 3 HB2 ARG 1 HB2 ARG 1 2.087 1.990 -0.528 4 HB3 ARG 1 HB3 ARG 1 3.233 1.520 -1.777 5 HG2 ARG 1 HG2 ARG 1 0.288 1.069 -2.101 6 HG3 ARG 1 HG3 ARG 1 1.046 2.610 -2.508 7 HD2 ARG 1 HD2 ARG 1 2.113 1.761 -4.322 8 HD3 ARG 1 HD3 ARG 1 2.327 0.173 -3.587 9 HE ARG 1 HE ARG 1 -0.391 0.509 -4.092 10 HH11 ARG 1 HH11 ARG 1 2.590 0.251 -5.873 11 HH12 ARG 1 HH12 ARG 1 1.846 -0.455 -7.270 12 HH21 ARG 1 HH21 ARG 1 -1.381 -0.420 -5.925 13 HH22 ARG 1 HH22 ARG 1 -0.413 -0.835 -7.299 14 H LEU 2 H LEU 2 3.516 -1.469 -2.552 15 HA LEU 2 HA LEU 2 5.840 -1.992 -0.856 16 HB2 LEU 2 HB2 LEU 2 6.280 -3.833 -2.150 17 HB3 LEU 2 HB3 LEU 2 4.523 -3.749 -2.250 18 HG LEU 2 HG LEU 2 6.412 -2.723 -4.366 19 HD11 LEU 2 HD11 LEU 2 4.871 -5.303 -4.175 20 HD12 LEU 2 HD12 LEU 2 6.620 -5.104 -4.271 21 HD13 LEU 2 HD13 LEU 2 5.609 -4.694 -5.656 22 HD21 LEU 2 HD21 LEU 2 3.434 -2.865 -4.103 23 HD22 LEU 2 HD22 LEU 2 4.198 -2.916 -5.692 24 HD23 LEU 2 HD23 LEU 2 4.447 -1.524 -4.637 25 H PHE 3 H PHE 3 4.937 0.377 -2.866 26 HA PHE 3 HA PHE 3 7.707 0.904 -3.688 27 HB2 PHE 3 HB2 PHE 3 5.240 0.940 -5.385 28 HB3 PHE 3 HB3 PHE 3 6.545 2.067 -5.739 29 HD1 PHE 3 HD1 PHE 3 5.233 -0.864 -6.786 30 HD2 PHE 3 HD2 PHE 3 8.967 0.709 -5.481 31 HE1 PHE 3 HE1 PHE 3 6.409 -2.628 -8.035 32 HE2 PHE 3 HE2 PHE 3 10.148 -1.051 -6.728 33 HZ PHE 3 HZ PHE 3 8.870 -2.722 -8.008 34 H ASP 4 H ASP 4 4.467 2.371 -3.465 35 HA ASP 4 HA ASP 4 5.231 5.031 -3.358 36 HB2 ASP 4 HB2 ASP 4 2.849 3.514 -2.844 37 HB3 ASP 4 HB3 ASP 4 3.037 4.741 -1.594 38 H LYS 5 H LYS 5 4.762 2.768 -0.655 39 HA LYS 5 HA LYS 5 5.314 4.494 1.444 40 HB2 LYS 5 HB2 LYS 5 6.066 1.570 1.281 41 HB3 LYS 5 HB3 LYS 5 5.855 2.511 2.752 42 HG2 LYS 5 HG2 LYS 5 3.695 1.880 0.750 43 HG3 LYS 5 HG3 LYS 5 3.933 1.076 2.304 44 HD2 LYS 5 HD2 LYS 5 3.437 3.083 3.499 45 HD3 LYS 5 HD3 LYS 5 3.454 4.038 2.015 46 HE2 LYS 5 HE2 LYS 5 1.243 3.740 1.968 47 HE3 LYS 5 HE3 LYS 5 1.588 2.079 1.489 48 HZ1 LYS 5 HZ1 LYS 5 0.062 2.496 3.492 49 HZ2 LYS 5 HZ2 LYS 5 1.489 2.822 4.340 50 HZ3 LYS 5 HZ3 LYS 5 1.257 1.306 3.627 51 H ILE 6 H ILE 6 7.462 3.039 -0.857 52 HA ILE 6 HA ILE 6 9.835 3.701 0.689 53 HB ILE 6 HB ILE 6 9.572 2.515 -2.077 54 HG12 ILE 6 HG12 ILE 6 10.589 0.520 -0.682 55 HG13 ILE 6 HG13 ILE 6 9.843 1.362 0.671 56 HG21 ILE 6 HG21 ILE 6 11.851 3.565 -0.605 57 HG22 ILE 6 HG22 ILE 6 12.073 1.891 -1.111 58 HG23 ILE 6 HG23 ILE 6 11.704 3.132 -2.309 59 HD11 ILE 6 HD11 ILE 6 8.504 -0.478 -0.458 60 HD12 ILE 6 HD12 ILE 6 7.692 1.065 -0.189 61 HD13 ILE 6 HD13 ILE 6 8.296 0.654 -1.794 62 H ARG 7 H ARG 7 8.107 4.805 -2.173 63 HA ARG 7 HA ARG 7 9.928 6.525 -3.304 64 HB2 ARG 7 HB2 ARG 7 7.072 6.170 -3.364 65 HB3 ARG 7 HB3 ARG 7 7.460 7.885 -3.374 66 HG2 ARG 7 HG2 ARG 7 7.350 7.275 -5.626 67 HG3 ARG 7 HG3 ARG 7 9.075 7.346 -5.263 68 HD2 ARG 7 HD2 ARG 7 9.315 5.049 -5.319 69 HD3 ARG 7 HD3 ARG 7 7.608 4.760 -4.983 70 HE ARG 7 HE ARG 7 7.166 4.908 -7.233 71 HH11 ARG 7 HH11 ARG 7 10.393 6.050 -6.598 72 HH12 ARG 7 HH12 ARG 7 10.834 6.131 -8.272 73 HH21 ARG 7 HH21 ARG 7 7.734 5.012 -9.439 74 HH22 ARG 7 HH22 ARG 7 9.320 5.541 -9.887 75 H GLN 8 H GLN 8 7.623 7.283 -0.697 76 HA GLN 8 HA GLN 8 8.274 9.939 -0.300 77 HB2 GLN 8 HB2 GLN 8 7.251 9.769 1.824 78 HB3 GLN 8 HB3 GLN 8 6.428 8.592 0.809 79 HG2 GLN 8 HG2 GLN 8 7.763 6.803 1.779 80 HG3 GLN 8 HG3 GLN 8 8.617 7.976 2.781 81 HE21 GLN 8 HE21 GLN 8 5.323 6.902 2.025 82 HE22 GLN 8 HE22 GLN 8 4.723 7.039 3.639 83 H VAL 9 H VAL 9 10.064 7.090 0.542 84 HA VAL 9 HA VAL 9 11.840 8.459 2.365 85 HB VAL 9 HB VAL 9 11.325 5.714 1.625 86 HG11 VAL 9 HG11 VAL 9 13.383 5.822 0.375 87 HG12 VAL 9 HG12 VAL 9 14.215 6.568 1.741 88 HG13 VAL 9 HG13 VAL 9 13.652 4.900 1.854 89 HG21 VAL 9 HG21 VAL 9 11.145 6.697 3.883 90 HG22 VAL 9 HG22 VAL 9 12.198 5.282 3.841 91 HG23 VAL 9 HG23 VAL 9 12.897 6.899 3.911 92 H ILE 10 H ILE 10 11.789 7.536 -1.007 93 HA ILE 10 HA ILE 10 14.518 7.825 -1.592 94 HB ILE 10 HB ILE 10 12.230 8.434 -3.463 95 HG12 ILE 10 HG12 ILE 10 13.533 5.796 -2.764 96 HG13 ILE 10 HG13 ILE 10 11.857 6.253 -2.480 97 HG21 ILE 10 HG21 ILE 10 13.787 7.821 -5.216 98 HG22 ILE 10 HG22 ILE 10 14.461 9.121 -4.235 99 HG23 ILE 10 HG23 ILE 10 15.031 7.467 -4.018 100 HD11 ILE 10 HD11 ILE 10 13.199 5.402 -4.976 101 HD12 ILE 10 HD12 ILE 10 11.593 5.015 -4.357 102 HD13 ILE 10 HD13 ILE 10 11.896 6.583 -5.105 103 H ARG 11 H ARG 11 11.867 10.155 -2.132 104 HA ARG 11 HA ARG 11 11.841 12.425 -2.268 105 HB2 ARG 11 HB2 ARG 11 14.348 12.195 -0.592 106 HB3 ARG 11 HB3 ARG 11 13.419 13.667 -0.840 107 HG2 ARG 11 HG2 ARG 11 12.520 11.173 0.583 108 HG3 ARG 11 HG3 ARG 11 12.870 12.747 1.300 109 HD2 ARG 11 HD2 ARG 11 10.663 12.150 -0.668 110 HD3 ARG 11 HD3 ARG 11 10.462 12.377 1.069 111 HE ARG 11 HE ARG 11 10.830 14.425 -0.920 112 HH11 ARG 11 HH11 ARG 11 11.120 13.605 2.451 113 HH12 ARG 11 HH12 ARG 11 11.028 15.248 2.993 114 HH21 ARG 11 HH21 ARG 11 10.708 16.592 -0.219 115 HH22 ARG 11 HH22 ARG 11 10.793 16.946 1.473 116 H LYS 12 H LYS 12 13.218 10.876 -4.312 117 HA LYS 12 HA LYS 12 15.628 11.908 -5.171 118 HB2 LYS 12 HB2 LYS 12 14.984 11.210 -7.417 119 HB3 LYS 12 HB3 LYS 12 14.495 10.003 -6.235 120 HG2 LYS 12 HG2 LYS 12 12.504 12.067 -6.974 121 HG3 LYS 12 HG3 LYS 12 12.890 10.831 -8.175 122 HD2 LYS 12 HD2 LYS 12 12.563 9.550 -5.659 123 HD3 LYS 12 HD3 LYS 12 11.190 10.632 -5.906 124 HE2 LYS 12 HE2 LYS 12 10.640 8.488 -6.825 125 HE3 LYS 12 HE3 LYS 12 10.878 9.619 -8.156 126 HZ1 LYS 12 HZ1 LYS 12 12.778 7.546 -7.210 127 HZ2 LYS 12 HZ2 LYS 12 13.173 8.731 -8.350 128 HZ3 LYS 12 HZ3 LYS 12 11.970 7.593 -8.696 Start of MODEL 11 1 H1 ARG 1 H ARG 1 2.075 0.036 1.064 2 HA ARG 1 HA ARG 1 1.472 -0.326 -1.647 3 HB2 ARG 1 HB2 ARG 1 2.363 2.359 -0.907 4 HB3 ARG 1 HB3 ARG 1 3.368 1.616 -2.145 5 HG2 ARG 1 HG2 ARG 1 0.381 1.672 -2.379 6 HG3 ARG 1 HG3 ARG 1 1.381 3.030 -2.899 7 HD2 ARG 1 HD2 ARG 1 1.317 1.890 -4.861 8 HD3 ARG 1 HD3 ARG 1 2.696 1.070 -4.129 9 HE ARG 1 HE ARG 1 1.434 -0.838 -3.953 10 HH11 ARG 1 HH11 ARG 1 -0.639 1.862 -4.685 11 HH12 ARG 1 HH12 ARG 1 -2.035 0.879 -4.978 12 HH21 ARG 1 HH21 ARG 1 -0.397 -2.143 -4.336 13 HH22 ARG 1 HH22 ARG 1 -1.897 -1.399 -4.778 14 H LEU 2 H LEU 2 3.328 -1.035 -2.903 15 HA LEU 2 HA LEU 2 5.378 -2.194 -1.169 16 HB2 LEU 2 HB2 LEU 2 5.823 -3.727 -2.953 17 HB3 LEU 2 HB3 LEU 2 4.084 -3.661 -2.676 18 HG LEU 2 HG LEU 2 5.123 -1.884 -4.794 19 HD11 LEU 2 HD11 LEU 2 6.487 -3.853 -5.189 20 HD12 LEU 2 HD12 LEU 2 5.240 -3.707 -6.427 21 HD13 LEU 2 HD13 LEU 2 5.054 -4.881 -5.124 22 HD21 LEU 2 HD21 LEU 2 2.892 -1.809 -4.956 23 HD22 LEU 2 HD22 LEU 2 2.679 -3.312 -4.058 24 HD23 LEU 2 HD23 LEU 2 3.047 -3.360 -5.783 25 H PHE 3 H PHE 3 4.950 0.215 -3.584 26 HA PHE 3 HA PHE 3 7.869 0.598 -3.711 27 HB2 PHE 3 HB2 PHE 3 5.768 0.878 -5.836 28 HB3 PHE 3 HB3 PHE 3 7.255 1.816 -5.934 29 HD1 PHE 3 HD1 PHE 3 5.714 -1.128 -6.934 30 HD2 PHE 3 HD2 PHE 3 9.450 0.349 -5.526 31 HE1 PHE 3 HE1 PHE 3 6.856 -3.056 -7.951 32 HE2 PHE 3 HE2 PHE 3 10.597 -1.576 -6.541 33 HZ PHE 3 HZ PHE 3 9.301 -3.281 -7.756 34 H ASP 4 H ASP 4 4.718 2.222 -3.800 35 HA ASP 4 HA ASP 4 5.614 4.859 -3.672 36 HB2 ASP 4 HB2 ASP 4 3.174 3.693 -3.820 37 HB3 ASP 4 HB3 ASP 4 3.162 4.231 -2.143 38 H LYS 5 H LYS 5 4.921 2.557 -1.072 39 HA LYS 5 HA LYS 5 5.203 4.227 1.120 40 HB2 LYS 5 HB2 LYS 5 5.862 1.309 0.749 41 HB3 LYS 5 HB3 LYS 5 6.008 2.113 2.307 42 HG2 LYS 5 HG2 LYS 5 3.484 1.883 0.680 43 HG3 LYS 5 HG3 LYS 5 3.894 0.915 2.098 44 HD2 LYS 5 HD2 LYS 5 4.204 3.644 2.799 45 HD3 LYS 5 HD3 LYS 5 2.649 3.476 1.982 46 HE2 LYS 5 HE2 LYS 5 2.128 1.579 3.507 47 HE3 LYS 5 HE3 LYS 5 3.625 1.919 4.374 48 HZ1 LYS 5 HZ1 LYS 5 1.391 2.921 5.191 49 HZ2 LYS 5 HZ2 LYS 5 1.666 4.075 3.987 50 HZ3 LYS 5 HZ3 LYS 5 2.796 3.863 5.228 51 H ILE 6 H ILE 6 7.646 2.819 -0.944 52 HA ILE 6 HA ILE 6 9.807 3.670 0.806 53 HB ILE 6 HB ILE 6 9.889 2.343 -1.906 54 HG12 ILE 6 HG12 ILE 6 10.858 0.476 -0.317 55 HG13 ILE 6 HG13 ILE 6 9.947 1.344 0.915 56 HG21 ILE 6 HG21 ILE 6 11.956 3.580 -0.269 57 HG22 ILE 6 HG22 ILE 6 12.309 1.903 -0.683 58 HG23 ILE 6 HG23 ILE 6 11.997 3.079 -1.959 59 HD11 ILE 6 HD11 ILE 6 8.811 -0.617 -0.232 60 HD12 ILE 6 HD12 ILE 6 7.904 0.892 -0.125 61 HD13 ILE 6 HD13 ILE 6 8.679 0.434 -1.642 62 H ARG 7 H ARG 7 8.328 4.569 -2.255 63 HA ARG 7 HA ARG 7 10.177 6.317 -3.293 64 HB2 ARG 7 HB2 ARG 7 7.349 5.844 -3.590 65 HB3 ARG 7 HB3 ARG 7 7.683 7.569 -3.660 66 HG2 ARG 7 HG2 ARG 7 7.811 6.863 -5.874 67 HG3 ARG 7 HG3 ARG 7 9.495 6.969 -5.357 68 HD2 ARG 7 HD2 ARG 7 9.759 4.679 -5.297 69 HD3 ARG 7 HD3 ARG 7 8.036 4.382 -5.077 70 HE ARG 7 HE ARG 7 7.790 4.345 -7.350 71 HH11 ARG 7 HH11 ARG 7 10.846 5.815 -6.561 72 HH12 ARG 7 HH12 ARG 7 11.387 5.881 -8.206 73 HH21 ARG 7 HH21 ARG 7 8.491 4.426 -9.519 74 HH22 ARG 7 HH22 ARG 7 10.047 5.091 -9.887 75 H GLN 8 H GLN 8 7.612 7.084 -0.945 76 HA GLN 8 HA GLN 8 8.114 9.780 -0.614 77 HB2 GLN 8 HB2 GLN 8 6.908 9.655 1.415 78 HB3 GLN 8 HB3 GLN 8 6.232 8.398 0.387 79 HG2 GLN 8 HG2 GLN 8 7.547 6.717 1.558 80 HG3 GLN 8 HG3 GLN 8 8.255 7.971 2.575 81 HE21 GLN 8 HE21 GLN 8 5.118 6.648 1.598 82 HE22 GLN 8 HE22 GLN 8 4.357 6.852 3.135 83 H VAL 9 H VAL 9 9.933 7.053 0.521 84 HA VAL 9 HA VAL 9 11.478 8.579 2.427 85 HB VAL 9 HB VAL 9 11.143 5.784 1.779 86 HG11 VAL 9 HG11 VAL 9 13.299 5.928 0.710 87 HG12 VAL 9 HG12 VAL 9 13.975 6.767 2.107 88 HG13 VAL 9 HG13 VAL 9 13.470 5.083 2.248 89 HG21 VAL 9 HG21 VAL 9 10.697 6.778 3.960 90 HG22 VAL 9 HG22 VAL 9 11.912 5.506 4.088 91 HG23 VAL 9 HG23 VAL 9 12.401 7.200 4.128 92 H ILE 10 H ILE 10 11.777 7.498 -0.885 93 HA ILE 10 HA ILE 10 14.533 7.883 -1.239 94 HB ILE 10 HB ILE 10 12.402 8.314 -3.332 95 HG12 ILE 10 HG12 ILE 10 13.742 5.766 -2.404 96 HG13 ILE 10 HG13 ILE 10 12.031 6.160 -2.283 97 HG21 ILE 10 HG21 ILE 10 15.279 7.448 -3.590 98 HG22 ILE 10 HG22 ILE 10 14.135 7.692 -4.909 99 HG23 ILE 10 HG23 ILE 10 14.664 9.064 -3.936 100 HD11 ILE 10 HD11 ILE 10 12.296 6.386 -4.911 101 HD12 ILE 10 HD12 ILE 10 13.612 5.251 -4.608 102 HD13 ILE 10 HD13 ILE 10 11.967 4.845 -4.120 103 H ARG 11 H ARG 11 11.855 10.073 -2.123 104 HA ARG 11 HA ARG 11 11.755 12.332 -2.367 105 HB2 ARG 11 HB2 ARG 11 14.101 12.280 -0.459 106 HB3 ARG 11 HB3 ARG 11 13.145 13.700 -0.861 107 HG2 ARG 11 HG2 ARG 11 12.209 11.235 0.589 108 HG3 ARG 11 HG3 ARG 11 12.432 12.852 1.261 109 HD2 ARG 11 HD2 ARG 11 10.444 12.080 -0.873 110 HD3 ARG 11 HD3 ARG 11 10.072 12.371 0.826 111 HE ARG 11 HE ARG 11 10.514 14.343 -1.212 112 HH11 ARG 11 HH11 ARG 11 10.643 13.693 2.205 113 HH12 ARG 11 HH12 ARG 11 10.470 15.356 2.661 114 HH21 ARG 11 HH21 ARG 11 10.285 16.536 -0.626 115 HH22 ARG 11 HH22 ARG 11 10.265 16.972 1.050 116 H LYS 12 H LYS 12 13.419 10.730 -4.172 117 HA LYS 12 HA LYS 12 15.839 11.879 -4.852 118 HB2 LYS 12 HB2 LYS 12 15.667 10.775 -6.899 119 HB3 LYS 12 HB3 LYS 12 14.630 9.821 -5.847 120 HG2 LYS 12 HG2 LYS 12 13.697 11.931 -7.784 121 HG3 LYS 12 HG3 LYS 12 13.617 10.185 -8.035 122 HD2 LYS 12 HD2 LYS 12 12.269 10.136 -5.849 123 HD3 LYS 12 HD3 LYS 12 12.095 11.877 -6.076 124 HE2 LYS 12 HE2 LYS 12 10.174 10.802 -7.017 125 HE3 LYS 12 HE3 LYS 12 11.161 11.423 -8.339 126 HZ1 LYS 12 HZ1 LYS 12 10.208 9.005 -8.393 127 HZ2 LYS 12 HZ2 LYS 12 11.577 8.656 -7.464 128 HZ3 LYS 12 HZ3 LYS 12 11.751 9.337 -9.003 Start of MODEL 12 1 H1 ARG 1 H ARG 1 2.230 -0.199 1.463 2 HA ARG 1 HA ARG 1 1.332 -0.764 -1.160 3 HB2 ARG 1 HB2 ARG 1 2.053 1.993 -0.585 4 HB3 ARG 1 HB3 ARG 1 3.064 1.304 -1.848 5 HG2 ARG 1 HG2 ARG 1 0.055 1.255 -1.871 6 HG3 ARG 1 HG3 ARG 1 1.043 2.468 -2.687 7 HD2 ARG 1 HD2 ARG 1 0.885 1.066 -4.439 8 HD3 ARG 1 HD3 ARG 1 2.174 0.193 -3.612 9 HE ARG 1 HE ARG 1 -0.135 -0.831 -2.569 10 HH11 ARG 1 HH11 ARG 1 1.190 -0.480 -5.769 11 HH12 ARG 1 HH12 ARG 1 0.403 -1.892 -6.392 12 HH21 ARG 1 HH21 ARG 1 -1.177 -2.692 -3.377 13 HH22 ARG 1 HH22 ARG 1 -0.944 -3.149 -5.030 14 H LEU 2 H LEU 2 3.076 -1.412 -2.585 15 HA LEU 2 HA LEU 2 5.380 -2.370 -1.059 16 HB2 LEU 2 HB2 LEU 2 5.714 -3.957 -2.810 17 HB3 LEU 2 HB3 LEU 2 4.008 -3.966 -2.368 18 HG LEU 2 HG LEU 2 4.823 -2.274 -4.669 19 HD11 LEU 2 HD11 LEU 2 5.740 -3.926 -5.829 20 HD12 LEU 2 HD12 LEU 2 4.206 -4.790 -5.739 21 HD13 LEU 2 HD13 LEU 2 5.447 -5.070 -4.519 22 HD21 LEU 2 HD21 LEU 2 2.569 -2.126 -4.373 23 HD22 LEU 2 HD22 LEU 2 2.435 -3.752 -3.702 24 HD23 LEU 2 HD23 LEU 2 2.623 -3.528 -5.441 25 H PHE 3 H PHE 3 4.532 -0.017 -3.379 26 HA PHE 3 HA PHE 3 7.382 0.487 -3.928 27 HB2 PHE 3 HB2 PHE 3 4.997 0.640 -5.741 28 HB3 PHE 3 HB3 PHE 3 6.399 1.661 -6.045 29 HD1 PHE 3 HD1 PHE 3 4.941 -1.108 -7.218 30 HD2 PHE 3 HD2 PHE 3 8.679 0.061 -5.550 31 HE1 PHE 3 HE1 PHE 3 6.041 -2.973 -8.385 32 HE2 PHE 3 HE2 PHE 3 9.785 -1.803 -6.715 33 HZ PHE 3 HZ PHE 3 8.466 -3.324 -8.134 34 H ASP 4 H ASP 4 4.182 2.039 -3.781 35 HA ASP 4 HA ASP 4 5.000 4.684 -3.702 36 HB2 ASP 4 HB2 ASP 4 2.592 3.396 -3.546 37 HB3 ASP 4 HB3 ASP 4 2.742 4.062 -1.922 38 H LYS 5 H LYS 5 4.586 2.405 -1.016 39 HA LYS 5 HA LYS 5 5.045 4.087 1.122 40 HB2 LYS 5 HB2 LYS 5 5.759 1.192 0.692 41 HB3 LYS 5 HB3 LYS 5 6.055 2.006 2.223 42 HG2 LYS 5 HG2 LYS 5 3.371 1.700 0.890 43 HG3 LYS 5 HG3 LYS 5 3.967 0.744 2.249 44 HD2 LYS 5 HD2 LYS 5 4.278 3.476 2.926 45 HD3 LYS 5 HD3 LYS 5 2.648 3.272 2.282 46 HE2 LYS 5 HE2 LYS 5 2.272 1.425 3.851 47 HE3 LYS 5 HE3 LYS 5 3.896 1.650 4.499 48 HZ1 LYS 5 HZ1 LYS 5 3.260 3.888 5.183 49 HZ2 LYS 5 HZ2 LYS 5 2.261 2.724 5.895 50 HZ3 LYS 5 HZ3 LYS 5 1.694 3.641 4.592 51 H ILE 6 H ILE 6 7.320 2.787 -1.181 52 HA ILE 6 HA ILE 6 9.614 3.702 0.353 53 HB ILE 6 HB ILE 6 9.468 2.413 -2.375 54 HG12 ILE 6 HG12 ILE 6 10.662 0.564 -0.927 55 HG13 ILE 6 HG13 ILE 6 9.858 1.381 0.409 56 HG21 ILE 6 HG21 ILE 6 11.963 2.024 -1.843 57 HG22 ILE 6 HG22 ILE 6 11.458 3.608 -2.429 58 HG23 ILE 6 HG23 ILE 6 11.769 3.361 -0.711 59 HD11 ILE 6 HD11 ILE 6 8.677 -0.606 -0.649 60 HD12 ILE 6 HD12 ILE 6 7.734 0.865 -0.411 61 HD13 ILE 6 HD13 ILE 6 8.353 0.464 -2.012 62 H ARG 7 H ARG 7 7.728 4.636 -2.445 63 HA ARG 7 HA ARG 7 9.381 6.428 -3.711 64 HB2 ARG 7 HB2 ARG 7 6.530 5.959 -3.549 65 HB3 ARG 7 HB3 ARG 7 6.874 7.678 -3.688 66 HG2 ARG 7 HG2 ARG 7 6.615 6.913 -5.886 67 HG3 ARG 7 HG3 ARG 7 8.357 7.075 -5.654 68 HD2 ARG 7 HD2 ARG 7 7.480 4.451 -4.871 69 HD3 ARG 7 HD3 ARG 7 6.943 4.811 -6.511 70 HE ARG 7 HE ARG 7 9.633 4.346 -5.636 71 HH11 ARG 7 HH11 ARG 7 7.653 5.930 -8.022 72 HH12 ARG 7 HH12 ARG 7 8.900 5.961 -9.225 73 HH21 ARG 7 HH21 ARG 7 11.282 4.380 -7.211 74 HH22 ARG 7 HH22 ARG 7 10.963 5.078 -8.763 75 H GLN 8 H GLN 8 7.202 7.115 -0.979 76 HA GLN 8 HA GLN 8 7.737 9.807 -0.662 77 HB2 GLN 8 HB2 GLN 8 6.867 9.619 1.534 78 HB3 GLN 8 HB3 GLN 8 6.027 8.407 0.576 79 HG2 GLN 8 HG2 GLN 8 7.465 6.670 1.470 80 HG3 GLN 8 HG3 GLN 8 8.366 7.872 2.393 81 HE21 GLN 8 HE21 GLN 8 7.432 8.798 4.208 82 HE22 GLN 8 HE22 GLN 8 6.033 8.130 4.970 83 H VAL 9 H VAL 9 9.721 7.069 0.105 84 HA VAL 9 HA VAL 9 11.539 8.587 1.775 85 HB VAL 9 HB VAL 9 11.085 5.790 1.209 86 HG11 VAL 9 HG11 VAL 9 13.057 5.905 -0.173 87 HG12 VAL 9 HG12 VAL 9 13.942 6.749 1.098 88 HG13 VAL 9 HG13 VAL 9 13.450 5.071 1.330 89 HG21 VAL 9 HG21 VAL 9 12.693 7.213 3.329 90 HG22 VAL 9 HG22 VAL 9 10.980 6.805 3.424 91 HG23 VAL 9 HG23 VAL 9 12.190 5.523 3.379 92 H ILE 10 H ILE 10 11.303 7.513 -1.539 93 HA ILE 10 HA ILE 10 13.971 7.822 -2.330 94 HB ILE 10 HB ILE 10 11.506 8.317 -4.003 95 HG12 ILE 10 HG12 ILE 10 13.059 5.791 -3.416 96 HG13 ILE 10 HG13 ILE 10 11.371 6.116 -3.035 97 HG21 ILE 10 HG21 ILE 10 12.918 7.842 -5.906 98 HG22 ILE 10 HG22 ILE 10 13.605 9.171 -4.973 99 HG23 ILE 10 HG23 ILE 10 14.298 7.554 -4.846 100 HD11 ILE 10 HD11 ILE 10 10.893 6.218 -5.456 101 HD12 ILE 10 HD12 ILE 10 12.567 5.760 -5.770 102 HD13 ILE 10 HD13 ILE 10 11.493 4.648 -4.921 103 H ARG 11 H ARG 11 11.276 10.120 -2.790 104 HA ARG 11 HA ARG 11 11.226 12.385 -2.992 105 HB2 ARG 11 HB2 ARG 11 13.780 12.183 -1.386 106 HB3 ARG 11 HB3 ARG 11 12.896 13.674 -1.684 107 HG2 ARG 11 HG2 ARG 11 11.902 11.277 -0.156 108 HG3 ARG 11 HG3 ARG 11 12.391 12.833 0.518 109 HD2 ARG 11 HD2 ARG 11 10.070 12.338 -1.343 110 HD3 ARG 11 HD3 ARG 11 9.968 12.676 0.384 111 HE ARG 11 HE ARG 11 10.320 14.575 -1.722 112 HH11 ARG 11 HH11 ARG 11 11.005 13.918 1.627 113 HH12 ARG 11 HH12 ARG 11 11.140 15.589 2.063 114 HH21 ARG 11 HH21 ARG 11 10.495 16.779 -1.161 115 HH22 ARG 11 HH22 ARG 11 10.848 17.216 0.476 116 H LYS 12 H LYS 12 12.529 10.790 -5.046 117 HA LYS 12 HA LYS 12 14.018 12.950 -6.332 118 HB2 LYS 12 HB2 LYS 12 15.082 10.246 -5.679 119 HB3 LYS 12 HB3 LYS 12 15.522 10.944 -7.232 120 HG2 LYS 12 HG2 LYS 12 17.237 11.763 -6.019 121 HG3 LYS 12 HG3 LYS 12 16.066 13.036 -5.667 122 HD2 LYS 12 HD2 LYS 12 15.508 12.036 -3.568 123 HD3 LYS 12 HD3 LYS 12 16.452 10.592 -3.944 124 HE2 LYS 12 HE2 LYS 12 17.715 11.951 -2.426 125 HE3 LYS 12 HE3 LYS 12 18.490 12.017 -4.008 126 HZ1 LYS 12 HZ1 LYS 12 16.523 14.084 -3.383 127 HZ2 LYS 12 HZ2 LYS 12 17.948 14.187 -4.287 128 HZ3 LYS 12 HZ3 LYS 12 18.018 14.176 -2.597 Start of MODEL 13 1 H1 ARG 1 H ARG 1 2.080 0.079 1.019 2 HA ARG 1 HA ARG 1 1.396 -0.347 -1.683 3 HB2 ARG 1 HB2 ARG 1 2.299 2.350 -0.955 4 HB3 ARG 1 HB3 ARG 1 3.217 1.618 -2.264 5 HG2 ARG 1 HG2 ARG 1 0.217 1.748 -2.262 6 HG3 ARG 1 HG3 ARG 1 1.235 3.024 -2.933 7 HD2 ARG 1 HD2 ARG 1 0.986 1.817 -4.829 8 HD3 ARG 1 HD3 ARG 1 2.329 0.901 -4.147 9 HE ARG 1 HE ARG 1 -0.028 -0.224 -3.184 10 HH11 ARG 1 HH11 ARG 1 1.606 0.217 -6.227 11 HH12 ARG 1 HH12 ARG 1 0.940 -1.215 -6.940 12 HH21 ARG 1 HH21 ARG 1 -0.911 -2.111 -4.112 13 HH22 ARG 1 HH22 ARG 1 -0.492 -2.538 -5.737 14 H LEU 2 H LEU 2 3.263 -0.969 -2.997 15 HA LEU 2 HA LEU 2 5.354 -2.126 -1.313 16 HB2 LEU 2 HB2 LEU 2 5.632 -3.756 -2.903 17 HB3 LEU 2 HB3 LEU 2 3.915 -3.393 -3.069 18 HG LEU 2 HG LEU 2 6.075 -2.295 -4.866 19 HD11 LEU 2 HD11 LEU 2 4.375 -4.745 -5.033 20 HD12 LEU 2 HD12 LEU 2 6.082 -4.533 -5.421 21 HD13 LEU 2 HD13 LEU 2 4.846 -3.895 -6.505 22 HD21 LEU 2 HD21 LEU 2 3.847 -2.056 -6.280 23 HD22 LEU 2 HD22 LEU 2 4.377 -0.806 -5.155 24 HD23 LEU 2 HD23 LEU 2 3.132 -1.958 -4.671 25 H PHE 3 H PHE 3 4.849 0.406 -3.540 26 HA PHE 3 HA PHE 3 7.759 0.817 -3.746 27 HB2 PHE 3 HB2 PHE 3 5.607 1.199 -5.809 28 HB3 PHE 3 HB3 PHE 3 7.110 2.112 -5.899 29 HD1 PHE 3 HD1 PHE 3 5.583 -0.485 -7.356 30 HD2 PHE 3 HD2 PHE 3 9.189 0.316 -5.241 31 HE1 PHE 3 HE1 PHE 3 6.663 -2.387 -8.483 32 HE2 PHE 3 HE2 PHE 3 10.274 -1.584 -6.366 33 HZ PHE 3 HZ PHE 3 9.012 -2.938 -7.990 34 H ASP 4 H ASP 4 4.590 2.413 -3.729 35 HA ASP 4 HA ASP 4 5.444 5.048 -3.491 36 HB2 ASP 4 HB2 ASP 4 3.004 3.756 -3.510 37 HB3 ASP 4 HB3 ASP 4 3.067 4.452 -1.893 38 H LYS 5 H LYS 5 4.742 2.683 -0.935 39 HA LYS 5 HA LYS 5 5.122 4.267 1.291 40 HB2 LYS 5 HB2 LYS 5 5.857 1.363 0.888 41 HB3 LYS 5 HB3 LYS 5 5.807 2.162 2.454 42 HG2 LYS 5 HG2 LYS 5 3.466 1.842 0.587 43 HG3 LYS 5 HG3 LYS 5 3.787 0.852 2.012 44 HD2 LYS 5 HD2 LYS 5 3.309 3.833 2.010 45 HD3 LYS 5 HD3 LYS 5 2.131 2.602 2.473 46 HE2 LYS 5 HE2 LYS 5 3.776 1.848 4.223 47 HE3 LYS 5 HE3 LYS 5 4.726 3.283 3.843 48 HZ1 LYS 5 HZ1 LYS 5 2.567 4.540 4.300 49 HZ2 LYS 5 HZ2 LYS 5 3.417 3.929 5.628 50 HZ3 LYS 5 HZ3 LYS 5 2.042 3.123 5.061 51 H ILE 6 H ILE 6 7.494 2.926 -0.886 52 HA ILE 6 HA ILE 6 9.710 3.666 0.846 53 HB ILE 6 HB ILE 6 9.705 2.470 -1.927 54 HG12 ILE 6 HG12 ILE 6 10.694 0.519 -0.459 55 HG13 ILE 6 HG13 ILE 6 9.834 1.337 0.841 56 HG21 ILE 6 HG21 ILE 6 11.839 3.081 -2.031 57 HG22 ILE 6 HG22 ILE 6 11.808 3.681 -0.373 58 HG23 ILE 6 HG23 ILE 6 12.153 1.981 -0.689 59 HD11 ILE 6 HD11 ILE 6 7.753 0.958 -0.149 60 HD12 ILE 6 HD12 ILE 6 8.471 0.568 -1.713 61 HD13 ILE 6 HD13 ILE 6 8.637 -0.553 -0.362 62 H ARG 7 H ARG 7 8.131 4.754 -2.094 63 HA ARG 7 HA ARG 7 9.968 6.512 -3.132 64 HB2 ARG 7 HB2 ARG 7 7.125 6.115 -3.314 65 HB3 ARG 7 HB3 ARG 7 7.482 7.837 -3.281 66 HG2 ARG 7 HG2 ARG 7 7.483 7.278 -5.543 67 HG3 ARG 7 HG3 ARG 7 9.192 7.343 -5.107 68 HD2 ARG 7 HD2 ARG 7 9.495 5.158 -5.508 69 HD3 ARG 7 HD3 ARG 7 7.976 4.712 -4.732 70 HE ARG 7 HE ARG 7 7.163 5.810 -7.059 71 HH11 ARG 7 HH11 ARG 7 9.495 3.344 -6.283 72 HH12 ARG 7 HH12 ARG 7 9.275 2.485 -7.771 73 HH21 ARG 7 HH21 ARG 7 6.865 4.688 -9.022 74 HH22 ARG 7 HH22 ARG 7 7.780 3.251 -9.329 75 H GLN 8 H GLN 8 7.556 7.209 -0.607 76 HA GLN 8 HA GLN 8 8.148 9.870 -0.159 77 HB2 GLN 8 HB2 GLN 8 7.061 9.657 1.933 78 HB3 GLN 8 HB3 GLN 8 6.285 8.491 0.869 79 HG2 GLN 8 HG2 GLN 8 7.605 6.697 1.852 80 HG3 GLN 8 HG3 GLN 8 8.410 7.860 2.905 81 HE21 GLN 8 HE21 GLN 8 7.478 6.137 4.413 82 HE22 GLN 8 HE22 GLN 8 5.922 6.482 5.078 83 H VAL 9 H VAL 9 9.963 7.046 0.703 84 HA VAL 9 HA VAL 9 11.663 8.458 2.580 85 HB VAL 9 HB VAL 9 11.163 5.694 1.910 86 HG11 VAL 9 HG11 VAL 9 14.052 6.542 2.080 87 HG12 VAL 9 HG12 VAL 9 13.479 4.879 2.223 88 HG13 VAL 9 HG13 VAL 9 13.257 5.763 0.713 89 HG21 VAL 9 HG21 VAL 9 10.928 6.749 4.131 90 HG22 VAL 9 HG22 VAL 9 11.969 5.326 4.160 91 HG23 VAL 9 HG23 VAL 9 12.680 6.939 4.201 92 H ILE 10 H ILE 10 11.705 7.461 -0.767 93 HA ILE 10 HA ILE 10 14.450 7.701 -1.286 94 HB ILE 10 HB ILE 10 12.181 8.283 -3.193 95 HG12 ILE 10 HG12 ILE 10 13.588 5.697 -2.502 96 HG13 ILE 10 HG13 ILE 10 11.890 6.080 -2.238 97 HG21 ILE 10 HG21 ILE 10 14.553 7.087 -4.321 98 HG22 ILE 10 HG22 ILE 10 13.702 8.558 -4.791 99 HG23 ILE 10 HG23 ILE 10 14.923 8.614 -3.520 100 HD11 ILE 10 HD11 ILE 10 13.268 5.170 -4.655 101 HD12 ILE 10 HD12 ILE 10 11.595 4.950 -4.143 102 HD13 ILE 10 HD13 ILE 10 12.092 6.460 -4.907 103 H ARG 11 H ARG 11 11.881 10.064 -2.044 104 HA ARG 11 HA ARG 11 11.905 12.331 -2.223 105 HB2 ARG 11 HB2 ARG 11 14.258 12.087 -0.339 106 HB3 ARG 11 HB3 ARG 11 13.399 13.578 -0.703 107 HG2 ARG 11 HG2 ARG 11 12.320 11.154 0.714 108 HG3 ARG 11 HG3 ARG 11 12.629 12.751 1.398 109 HD2 ARG 11 HD2 ARG 11 10.556 12.022 -0.665 110 HD3 ARG 11 HD3 ARG 11 10.268 12.508 1.005 111 HE ARG 11 HE ARG 11 11.682 14.457 -0.582 112 HH11 ARG 11 HH11 ARG 11 8.575 13.282 0.458 113 HH12 ARG 11 HH12 ARG 11 7.764 14.786 0.172 114 HH21 ARG 11 HH21 ARG 11 10.627 16.443 -0.963 115 HH22 ARG 11 HH22 ARG 11 8.932 16.583 -0.637 116 H LYS 12 H LYS 12 13.736 10.528 -3.884 117 HA LYS 12 HA LYS 12 15.337 10.720 -5.500 118 HB2 LYS 12 HB2 LYS 12 13.530 12.936 -5.695 119 HB3 LYS 12 HB3 LYS 12 15.137 13.465 -6.177 120 HG2 LYS 12 HG2 LYS 12 14.304 12.741 -8.177 121 HG3 LYS 12 HG3 LYS 12 15.101 11.273 -7.606 122 HD2 LYS 12 HD2 LYS 12 12.738 10.817 -6.529 123 HD3 LYS 12 HD3 LYS 12 12.197 11.911 -7.804 124 HE2 LYS 12 HE2 LYS 12 13.404 10.464 -9.445 125 HE3 LYS 12 HE3 LYS 12 13.717 9.329 -8.133 126 HZ1 LYS 12 HZ1 LYS 12 11.581 8.640 -8.094 127 HZ2 LYS 12 HZ2 LYS 12 11.613 9.138 -9.710 128 HZ3 LYS 12 HZ3 LYS 12 10.949 10.148 -8.527 Start of MODEL 14 1 H1 ARG 1 H ARG 1 1.989 -0.037 1.068 2 HA ARG 1 HA ARG 1 1.634 -0.670 -1.729 3 HB2 ARG 1 HB2 ARG 1 2.044 2.081 -0.791 4 HB3 ARG 1 HB3 ARG 1 3.197 1.566 -2.015 5 HG2 ARG 1 HG2 ARG 1 0.222 1.292 -2.342 6 HG3 ARG 1 HG3 ARG 1 1.133 2.708 -2.870 7 HD2 ARG 1 HD2 ARG 1 1.381 1.607 -4.802 8 HD3 ARG 1 HD3 ARG 1 2.583 0.648 -3.939 9 HE ARG 1 HE ARG 1 0.087 -0.505 -3.482 10 HH11 ARG 1 HH11 ARG 1 2.267 0.064 -6.136 11 HH12 ARG 1 HH12 ARG 1 1.751 -1.329 -7.028 12 HH21 ARG 1 HH21 ARG 1 -0.601 -2.341 -4.647 13 HH22 ARG 1 HH22 ARG 1 0.119 -2.695 -6.181 14 H LEU 2 H LEU 2 3.487 -1.451 -2.684 15 HA LEU 2 HA LEU 2 5.707 -1.961 -0.850 16 HB2 LEU 2 HB2 LEU 2 6.191 -3.838 -2.075 17 HB3 LEU 2 HB3 LEU 2 4.443 -3.733 -2.274 18 HG LEU 2 HG LEU 2 6.463 -2.784 -4.305 19 HD11 LEU 2 HD11 LEU 2 6.747 -5.001 -4.597 20 HD12 LEU 2 HD12 LEU 2 5.225 -4.859 -5.475 21 HD13 LEU 2 HD13 LEU 2 5.229 -5.414 -3.801 22 HD21 LEU 2 HD21 LEU 2 4.525 -1.563 -4.694 23 HD22 LEU 2 HD22 LEU 2 3.470 -2.894 -4.217 24 HD23 LEU 2 HD23 LEU 2 4.336 -2.960 -5.753 25 H PHE 3 H PHE 3 4.951 0.369 -2.966 26 HA PHE 3 HA PHE 3 7.771 0.836 -3.648 27 HB2 PHE 3 HB2 PHE 3 5.388 0.937 -5.471 28 HB3 PHE 3 HB3 PHE 3 6.789 1.954 -5.787 29 HD1 PHE 3 HD1 PHE 3 5.314 -0.936 -6.773 30 HD2 PHE 3 HD2 PHE 3 9.092 0.465 -5.400 31 HE1 PHE 3 HE1 PHE 3 6.420 -2.822 -7.902 32 HE2 PHE 3 HE2 PHE 3 10.204 -1.418 -6.528 33 HZ PHE 3 HZ PHE 3 8.868 -3.065 -7.780 34 H ASP 4 H ASP 4 4.555 2.374 -3.650 35 HA ASP 4 HA ASP 4 5.353 5.017 -3.551 36 HB2 ASP 4 HB2 ASP 4 2.928 3.553 -3.128 37 HB3 ASP 4 HB3 ASP 4 3.078 4.779 -1.872 38 H LYS 5 H LYS 5 4.729 2.828 -0.818 39 HA LYS 5 HA LYS 5 5.216 4.593 1.263 40 HB2 LYS 5 HB2 LYS 5 5.934 1.656 1.193 41 HB3 LYS 5 HB3 LYS 5 5.682 2.632 2.634 42 HG2 LYS 5 HG2 LYS 5 3.594 1.967 0.568 43 HG3 LYS 5 HG3 LYS 5 3.754 1.228 2.163 44 HD2 LYS 5 HD2 LYS 5 3.261 3.310 3.245 45 HD3 LYS 5 HD3 LYS 5 3.313 4.176 1.708 46 HE2 LYS 5 HE2 LYS 5 1.120 3.849 1.544 47 HE3 LYS 5 HE3 LYS 5 1.455 2.132 1.328 48 HZ1 LYS 5 HZ1 LYS 5 1.203 1.763 3.650 49 HZ2 LYS 5 HZ2 LYS 5 -0.144 2.647 3.137 50 HZ3 LYS 5 HZ3 LYS 5 1.104 3.419 3.978 51 H ILE 6 H ILE 6 7.444 3.050 -0.904 52 HA ILE 6 HA ILE 6 9.755 3.732 0.725 53 HB ILE 6 HB ILE 6 9.599 2.466 -2.013 54 HG12 ILE 6 HG12 ILE 6 10.532 0.503 -0.517 55 HG13 ILE 6 HG13 ILE 6 9.739 1.395 0.778 56 HG21 ILE 6 HG21 ILE 6 11.944 2.945 -0.183 57 HG22 ILE 6 HG22 ILE 6 11.982 1.882 -1.589 58 HG23 ILE 6 HG23 ILE 6 11.693 3.609 -1.797 59 HD11 ILE 6 HD11 ILE 6 8.288 0.629 -1.728 60 HD12 ILE 6 HD12 ILE 6 8.426 -0.463 -0.349 61 HD13 ILE 6 HD13 ILE 6 7.623 1.096 -0.162 62 H ARG 7 H ARG 7 8.141 4.792 -2.211 63 HA ARG 7 HA ARG 7 10.025 6.443 -3.341 64 HB2 ARG 7 HB2 ARG 7 7.165 6.150 -3.459 65 HB3 ARG 7 HB3 ARG 7 7.590 7.855 -3.499 66 HG2 ARG 7 HG2 ARG 7 7.536 7.225 -5.737 67 HG3 ARG 7 HG3 ARG 7 9.253 7.210 -5.331 68 HD2 ARG 7 HD2 ARG 7 9.428 5.005 -5.678 69 HD3 ARG 7 HD3 ARG 7 7.917 4.664 -4.835 70 HE ARG 7 HE ARG 7 6.905 4.513 -6.867 71 HH11 ARG 7 HH11 ARG 7 9.781 6.443 -7.214 72 HH12 ARG 7 HH12 ARG 7 9.620 6.609 -8.931 73 HH21 ARG 7 HH21 ARG 7 6.682 4.724 -9.127 74 HH22 ARG 7 HH22 ARG 7 7.856 5.631 -10.018 75 H GLN 8 H GLN 8 7.682 7.317 -0.806 76 HA GLN 8 HA GLN 8 8.383 9.966 -0.458 77 HB2 GLN 8 HB2 GLN 8 7.315 9.869 1.650 78 HB3 GLN 8 HB3 GLN 8 6.482 8.694 0.641 79 HG2 GLN 8 HG2 GLN 8 7.743 6.890 1.675 80 HG3 GLN 8 HG3 GLN 8 8.614 8.058 2.668 81 HE21 GLN 8 HE21 GLN 8 5.406 6.786 1.958 82 HE22 GLN 8 HE22 GLN 8 4.742 7.082 3.525 83 H VAL 9 H VAL 9 10.089 7.100 0.495 84 HA VAL 9 HA VAL 9 11.856 8.476 2.322 85 HB VAL 9 HB VAL 9 11.294 5.725 1.641 86 HG11 VAL 9 HG11 VAL 9 13.379 5.754 0.434 87 HG12 VAL 9 HG12 VAL 9 14.200 6.516 1.798 88 HG13 VAL 9 HG13 VAL 9 13.595 4.864 1.940 89 HG21 VAL 9 HG21 VAL 9 12.141 5.334 3.885 90 HG22 VAL 9 HG22 VAL 9 12.826 6.958 3.930 91 HG23 VAL 9 HG23 VAL 9 11.077 6.741 3.869 92 H ILE 10 H ILE 10 11.857 7.465 -1.025 93 HA ILE 10 HA ILE 10 14.604 7.676 -1.558 94 HB ILE 10 HB ILE 10 12.370 8.294 -3.492 95 HG12 ILE 10 HG12 ILE 10 13.600 5.644 -2.708 96 HG13 ILE 10 HG13 ILE 10 11.930 6.144 -2.464 97 HG21 ILE 10 HG21 ILE 10 13.950 7.602 -5.196 98 HG22 ILE 10 HG22 ILE 10 14.629 8.914 -4.235 99 HG23 ILE 10 HG23 ILE 10 15.161 7.254 -3.963 100 HD11 ILE 10 HD11 ILE 10 13.297 5.211 -4.917 101 HD12 ILE 10 HD12 ILE 10 11.674 4.867 -4.317 102 HD13 ILE 10 HD13 ILE 10 12.018 6.413 -5.092 103 H ARG 11 H ARG 11 12.023 10.056 -2.213 104 HA ARG 11 HA ARG 11 12.056 12.322 -2.403 105 HB2 ARG 11 HB2 ARG 11 14.519 12.073 -0.667 106 HB3 ARG 11 HB3 ARG 11 13.631 13.560 -0.970 107 HG2 ARG 11 HG2 ARG 11 12.639 11.123 0.490 108 HG3 ARG 11 HG3 ARG 11 13.015 12.704 1.179 109 HD2 ARG 11 HD2 ARG 11 10.836 12.119 -0.824 110 HD3 ARG 11 HD3 ARG 11 10.603 12.389 0.903 111 HE ARG 11 HE ARG 11 11.068 14.383 -1.120 112 HH11 ARG 11 HH11 ARG 11 11.259 13.629 2.273 113 HH12 ARG 11 HH12 ARG 11 11.197 15.285 2.778 114 HH21 ARG 11 HH21 ARG 11 10.986 16.567 -0.468 115 HH22 ARG 11 HH22 ARG 11 11.040 16.955 1.218 116 H LYS 12 H LYS 12 13.491 10.655 -4.347 117 HA LYS 12 HA LYS 12 15.926 11.653 -5.175 118 HB2 LYS 12 HB2 LYS 12 15.564 10.558 -7.173 119 HB3 LYS 12 HB3 LYS 12 14.406 9.740 -6.131 120 HG2 LYS 12 HG2 LYS 12 13.805 11.956 -8.079 121 HG3 LYS 12 HG3 LYS 12 13.399 10.248 -8.264 122 HD2 LYS 12 HD2 LYS 12 12.390 12.013 -6.035 123 HD3 LYS 12 HD3 LYS 12 11.492 11.659 -7.513 124 HE2 LYS 12 HE2 LYS 12 11.415 9.323 -6.975 125 HE3 LYS 12 HE3 LYS 12 12.497 9.555 -5.603 126 HZ1 LYS 12 HZ1 LYS 12 10.671 9.783 -4.387 127 HZ2 LYS 12 HZ2 LYS 12 9.669 9.878 -5.746 128 HZ3 LYS 12 HZ3 LYS 12 10.417 11.273 -5.147 Start of MODEL 15 1 H1 ARG 1 H ARG 1 2.175 0.140 1.234 2 HA ARG 1 HA ARG 1 1.558 -0.523 -1.520 3 HB2 ARG 1 HB2 ARG 1 2.399 2.159 -0.668 4 HB3 ARG 1 HB3 ARG 1 3.384 1.475 -1.954 5 HG2 ARG 1 HG2 ARG 1 0.410 1.411 -2.179 6 HG3 ARG 1 HG3 ARG 1 1.291 2.899 -2.530 7 HD2 ARG 1 HD2 ARG 1 2.770 1.291 -3.991 8 HD3 ARG 1 HD3 ARG 1 1.325 0.283 -3.957 9 HE ARG 1 HE ARG 1 1.708 2.659 -5.469 10 HH11 ARG 1 HH11 ARG 1 -0.692 0.824 -3.740 11 HH12 ARG 1 HH12 ARG 1 -2.018 1.427 -4.677 12 HH21 ARG 1 HH21 ARG 1 -0.030 3.461 -6.711 13 HH22 ARG 1 HH22 ARG 1 -1.640 2.926 -6.368 14 H LEU 2 H LEU 2 3.389 -1.273 -2.706 15 HA LEU 2 HA LEU 2 5.479 -2.330 -0.962 16 HB2 LEU 2 HB2 LEU 2 5.952 -3.894 -2.701 17 HB3 LEU 2 HB3 LEU 2 4.207 -3.843 -2.456 18 HG LEU 2 HG LEU 2 5.287 -2.109 -4.595 19 HD11 LEU 2 HD11 LEU 2 5.513 -3.900 -6.181 20 HD12 LEU 2 HD12 LEU 2 5.098 -5.095 -4.952 21 HD13 LEU 2 HD13 LEU 2 6.607 -4.191 -4.829 22 HD21 LEU 2 HD21 LEU 2 3.217 -3.512 -5.618 23 HD22 LEU 2 HD22 LEU 2 3.041 -2.008 -4.715 24 HD23 LEU 2 HD23 LEU 2 2.822 -3.557 -3.900 25 H PHE 3 H PHE 3 4.987 0.030 -3.410 26 HA PHE 3 HA PHE 3 7.896 0.477 -3.560 27 HB2 PHE 3 HB2 PHE 3 5.786 0.579 -5.668 28 HB3 PHE 3 HB3 PHE 3 7.135 1.704 -5.784 29 HD1 PHE 3 HD1 PHE 3 5.999 -1.606 -6.423 30 HD2 PHE 3 HD2 PHE 3 9.494 0.724 -5.734 31 HE1 PHE 3 HE1 PHE 3 7.374 -3.371 -7.447 32 HE2 PHE 3 HE2 PHE 3 10.874 -1.036 -6.757 33 HZ PHE 3 HZ PHE 3 9.814 -3.087 -7.616 34 H ASP 4 H ASP 4 4.710 2.025 -3.619 35 HA ASP 4 HA ASP 4 5.540 4.685 -3.537 36 HB2 ASP 4 HB2 ASP 4 3.142 3.540 -3.708 37 HB3 ASP 4 HB3 ASP 4 3.122 3.898 -1.983 38 H LYS 5 H LYS 5 4.952 2.401 -0.896 39 HA LYS 5 HA LYS 5 5.240 4.104 1.269 40 HB2 LYS 5 HB2 LYS 5 5.958 1.198 0.921 41 HB3 LYS 5 HB3 LYS 5 6.118 2.024 2.465 42 HG2 LYS 5 HG2 LYS 5 3.566 1.717 0.895 43 HG3 LYS 5 HG3 LYS 5 4.028 0.777 2.316 44 HD2 LYS 5 HD2 LYS 5 4.303 3.490 3.021 45 HD3 LYS 5 HD3 LYS 5 2.760 3.344 2.176 46 HE2 LYS 5 HE2 LYS 5 3.330 1.228 4.141 47 HE3 LYS 5 HE3 LYS 5 3.116 2.843 4.815 48 HZ1 LYS 5 HZ1 LYS 5 1.166 1.060 3.724 49 HZ2 LYS 5 HZ2 LYS 5 1.082 2.593 3.016 50 HZ3 LYS 5 HZ3 LYS 5 0.949 2.429 4.694 51 H ILE 6 H ILE 6 7.674 2.721 -0.822 52 HA ILE 6 HA ILE 6 9.848 3.648 0.872 53 HB ILE 6 HB ILE 6 9.909 2.282 -1.820 54 HG12 ILE 6 HG12 ILE 6 10.950 0.461 -0.222 55 HG13 ILE 6 HG13 ILE 6 10.043 1.327 1.013 56 HG21 ILE 6 HG21 ILE 6 12.362 1.902 -0.678 57 HG22 ILE 6 HG22 ILE 6 11.990 3.101 -1.916 58 HG23 ILE 6 HG23 ILE 6 11.987 3.561 -0.213 59 HD11 ILE 6 HD11 ILE 6 8.930 -0.676 -0.083 60 HD12 ILE 6 HD12 ILE 6 7.992 0.814 0.019 61 HD13 ILE 6 HD13 ILE 6 8.747 0.350 -1.505 62 H ARG 7 H ARG 7 8.295 4.461 -2.178 63 HA ARG 7 HA ARG 7 10.084 6.237 -3.273 64 HB2 ARG 7 HB2 ARG 7 7.264 5.691 -3.516 65 HB3 ARG 7 HB3 ARG 7 7.556 7.422 -3.624 66 HG2 ARG 7 HG2 ARG 7 7.670 6.683 -5.826 67 HG3 ARG 7 HG3 ARG 7 9.359 6.825 -5.336 68 HD2 ARG 7 HD2 ARG 7 9.655 4.535 -5.223 69 HD3 ARG 7 HD3 ARG 7 7.934 4.221 -5.006 70 HE ARG 7 HE ARG 7 7.673 4.216 -7.289 71 HH11 ARG 7 HH11 ARG 7 10.809 5.488 -6.474 72 HH12 ARG 7 HH12 ARG 7 11.382 5.479 -8.109 73 HH21 ARG 7 HH21 ARG 7 8.415 4.199 -9.445 74 HH22 ARG 7 HH22 ARG 7 10.019 4.747 -9.799 75 H GLN 8 H GLN 8 7.537 6.978 -0.897 76 HA GLN 8 HA GLN 8 7.976 9.691 -0.618 77 HB2 GLN 8 HB2 GLN 8 6.801 9.570 1.428 78 HB3 GLN 8 HB3 GLN 8 6.145 8.275 0.435 79 HG2 GLN 8 HG2 GLN 8 7.526 6.654 1.616 80 HG3 GLN 8 HG3 GLN 8 8.208 7.947 2.601 81 HE21 GLN 8 HE21 GLN 8 7.280 6.216 4.157 82 HE22 GLN 8 HE22 GLN 8 5.688 6.541 4.744 83 H VAL 9 H VAL 9 9.885 7.030 0.524 84 HA VAL 9 HA VAL 9 11.418 8.625 2.385 85 HB VAL 9 HB VAL 9 11.143 5.813 1.786 86 HG11 VAL 9 HG11 VAL 9 13.954 6.872 2.052 87 HG12 VAL 9 HG12 VAL 9 13.495 5.178 2.228 88 HG13 VAL 9 HG13 VAL 9 13.279 5.995 0.680 89 HG21 VAL 9 HG21 VAL 9 10.720 6.877 3.958 90 HG22 VAL 9 HG22 VAL 9 11.909 5.580 4.084 91 HG23 VAL 9 HG23 VAL 9 12.435 7.263 4.095 92 H ILE 10 H ILE 10 11.688 7.507 -0.917 93 HA ILE 10 HA ILE 10 14.431 7.960 -1.315 94 HB ILE 10 HB ILE 10 12.264 8.284 -3.391 95 HG12 ILE 10 HG12 ILE 10 13.673 5.792 -2.415 96 HG13 ILE 10 HG13 ILE 10 11.954 6.149 -2.290 97 HG21 ILE 10 HG21 ILE 10 14.505 9.074 -4.032 98 HG22 ILE 10 HG22 ILE 10 15.157 7.479 -3.661 99 HG23 ILE 10 HG23 ILE 10 13.995 7.672 -4.973 100 HD11 ILE 10 HD11 ILE 10 13.544 5.239 -4.614 101 HD12 ILE 10 HD12 ILE 10 11.923 4.777 -4.092 102 HD13 ILE 10 HD13 ILE 10 12.179 6.313 -4.920 103 H ARG 11 H ARG 11 11.677 10.045 -2.219 104 HA ARG 11 HA ARG 11 11.501 12.294 -2.504 105 HB2 ARG 11 HB2 ARG 11 13.878 12.361 -0.636 106 HB3 ARG 11 HB3 ARG 11 12.864 13.738 -1.049 107 HG2 ARG 11 HG2 ARG 11 12.045 11.272 0.469 108 HG3 ARG 11 HG3 ARG 11 12.219 12.911 1.101 109 HD2 ARG 11 HD2 ARG 11 10.215 11.994 -0.959 110 HD3 ARG 11 HD3 ARG 11 9.874 12.364 0.731 111 HE ARG 11 HE ARG 11 10.257 14.243 -1.419 112 HH11 ARG 11 HH11 ARG 11 10.307 13.755 2.027 113 HH12 ARG 11 HH12 ARG 11 10.051 15.428 2.399 114 HH21 ARG 11 HH21 ARG 11 9.920 16.448 -0.942 115 HH22 ARG 11 HH22 ARG 11 9.830 16.959 0.709 116 H LYS 12 H LYS 12 13.344 10.631 -4.192 117 HA LYS 12 HA LYS 12 15.658 11.878 -4.960 118 HB2 LYS 12 HB2 LYS 12 15.040 11.042 -7.319 119 HB3 LYS 12 HB3 LYS 12 15.196 9.853 -6.032 120 HG2 LYS 12 HG2 LYS 12 13.262 9.352 -7.370 121 HG3 LYS 12 HG3 LYS 12 12.748 9.863 -5.760 122 HD2 LYS 12 HD2 LYS 12 11.785 11.767 -6.527 123 HD3 LYS 12 HD3 LYS 12 12.985 11.988 -7.802 124 HE2 LYS 12 HE2 LYS 12 10.796 9.914 -7.848 125 HE3 LYS 12 HE3 LYS 12 10.700 11.484 -8.644 126 HZ1 LYS 12 HZ1 LYS 12 12.215 9.115 -9.389 127 HZ2 LYS 12 HZ2 LYS 12 12.992 10.598 -9.630 128 HZ3 LYS 12 HZ3 LYS 12 11.500 10.296 -10.367
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