NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586910 | 2mxg | 25408 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H VAL 1 1.807 0.001 0.856 2 HA VAL 1 HA VAL 1 3.143 0.042 -0.988 3 HB VAL 1 HB VAL 1 2.407 -1.224 -2.972 4 HG11 VAL 1 1HG1 VAL 1 3.097 -2.207 -0.580 5 HG12 VAL 1 2HG1 VAL 1 1.505 -2.949 -0.747 6 HG13 VAL 1 3HG1 VAL 1 2.742 -3.228 -1.973 7 HG21 VAL 1 3HG2 VAL 1 -0.212 -0.784 -1.752 8 HG22 VAL 1 1HG2 VAL 1 0.216 -1.128 -3.428 9 HG23 VAL 1 2HG2 VAL 1 0.060 -2.448 -2.268 10 H ALA 2 H ALA 2 3.602 1.257 -2.838 11 HA ALA 2 HA ALA 2 1.517 3.210 -3.567 12 HB1 ALA 2 1HB ALA 2 3.341 4.783 -4.053 13 HB2 ALA 2 2HB ALA 2 3.349 4.254 -2.370 14 HB3 ALA 2 3HB ALA 2 4.510 3.577 -3.512 15 H ARG 3 H ARG 3 2.128 0.559 -4.780 16 HA ARG 3 HA ARG 3 3.037 1.391 -7.446 17 HB2 ARG 3 2HB ARG 3 2.859 -1.290 -6.089 18 HB3 ARG 3 3HB ARG 3 3.049 -1.152 -7.832 19 HG2 ARG 3 2HG ARG 3 5.159 -0.110 -7.614 20 HG3 ARG 3 3HG ARG 3 4.932 0.143 -5.882 21 HD2 ARG 3 2HD ARG 3 5.118 -2.188 -5.438 22 HD3 ARG 3 3HD ARG 3 5.039 -2.583 -7.154 23 HE ARG 3 HE ARG 3 7.280 -2.163 -7.312 24 HH11 ARG 3 1HH1 ARG 3 6.069 -0.756 -4.366 25 HH12 ARG 3 2HH1 ARG 3 7.639 -0.325 -3.773 26 HH21 ARG 3 1HH2 ARG 3 9.352 -1.600 -6.542 27 HH22 ARG 3 2HH2 ARG 3 9.506 -0.805 -5.012 28 H GLY 4 H GLY 4 0.312 0.120 -5.675 29 HA2 GLY 4 2HA GLY 4 -1.209 -0.307 -8.137 30 HA3 GLY 4 3HA GLY 4 -1.721 -0.741 -6.513 31 H TRP 5 H TRP 5 -0.888 2.185 -8.375 32 HA TRP 5 HA TRP 5 -3.046 3.591 -6.959 33 HB2 TRP 5 2HB TRP 5 -0.441 4.438 -8.110 34 HB3 TRP 5 3HB TRP 5 -1.771 5.588 -8.218 35 HD1 TRP 5 HD1 TRP 5 0.252 3.647 -5.563 36 HE1 TRP 5 HE1 TRP 5 0.142 4.961 -3.353 37 HE3 TRP 5 HE3 TRP 5 -3.025 7.313 -6.962 38 HZ2 TRP 5 HZ2 TRP 5 -1.162 7.249 -2.337 39 HZ3 TRP 5 HZ3 TRP 5 -3.653 9.026 -5.311 40 HH2 TRP 5 HH2 TRP 5 -2.740 8.993 -3.047 41 H LYS 6 H LYS 6 -2.861 1.826 -9.573 42 HA LYS 6 HA LYS 6 -4.414 3.680 -11.257 43 HB2 LYS 6 2HB LYS 6 -3.773 2.210 -13.163 44 HB3 LYS 6 3HB LYS 6 -2.405 3.010 -12.401 45 HG2 LYS 6 2HG LYS 6 -3.111 0.299 -11.437 46 HG3 LYS 6 3HG LYS 6 -2.375 0.439 -13.035 47 HD2 LYS 6 2HD LYS 6 -0.990 2.099 -11.132 48 HD3 LYS 6 3HD LYS 6 -1.075 0.433 -10.555 49 HE2 LYS 6 2HE LYS 6 -0.094 1.285 -13.277 50 HE3 LYS 6 3HE LYS 6 0.940 0.875 -11.909 51 HZ1 LYS 6 3HZ LYS 6 -0.472 -1.315 -11.981 52 HZ2 LYS 6 1HZ LYS 6 0.873 -1.113 -12.987 53 HZ3 LYS 6 2HZ LYS 6 -0.685 -0.877 -13.601 54 H ARG 7 H ARG 7 -5.204 1.787 -9.012 55 HA ARG 7 HA ARG 7 -7.217 0.266 -10.535 56 HB2 ARG 7 2HB ARG 7 -5.592 -0.471 -8.141 57 HB3 ARG 7 3HB ARG 7 -7.222 -1.116 -8.279 58 HG2 ARG 7 2HG ARG 7 -6.485 -2.699 -9.632 59 HG3 ARG 7 3HG ARG 7 -5.930 -1.475 -10.776 60 HD2 ARG 7 2HD ARG 7 -3.775 -1.485 -9.943 61 HD3 ARG 7 3HD ARG 7 -4.276 -2.113 -8.374 62 HE ARG 7 HE ARG 7 -3.610 -3.636 -10.722 63 HH11 ARG 7 1HH1 ARG 7 -5.331 -3.627 -7.696 64 HH12 ARG 7 2HH1 ARG 7 -5.318 -5.352 -7.534 65 HH21 ARG 7 1HH2 ARG 7 -3.587 -5.908 -10.520 66 HH22 ARG 7 2HH2 ARG 7 -4.325 -6.649 -9.140 67 H LYS 8 H LYS 8 -6.893 0.978 -7.076 68 HA LYS 8 HA LYS 8 -9.614 2.077 -7.123 69 HB2 LYS 8 2HB LYS 8 -9.621 1.682 -4.700 70 HB3 LYS 8 3HB LYS 8 -9.259 0.210 -5.591 71 HG2 LYS 8 2HG LYS 8 -6.860 1.673 -4.871 72 HG3 LYS 8 3HG LYS 8 -7.834 1.234 -3.465 73 HD2 LYS 8 2HD LYS 8 -7.927 -1.107 -4.449 74 HD3 LYS 8 3HD LYS 8 -6.665 -0.579 -5.564 75 HE2 LYS 8 2HE LYS 8 -5.085 -0.409 -3.907 76 HE3 LYS 8 3HE LYS 8 -6.282 -0.117 -2.646 77 HZ1 LYS 8 3HZ LYS 8 -6.951 -2.567 -3.253 78 HZ2 LYS 8 1HZ LYS 8 -5.698 -2.246 -2.162 79 HZ3 LYS 8 2HZ LYS 8 -5.341 -2.652 -3.765 80 H CYS 9 H CYS 9 -6.779 3.336 -7.618 81 HA CYS 9 HA CYS 9 -7.246 5.685 -5.901 82 HB2 CYS 9 2HB CYS 9 -4.567 4.881 -7.034 83 HB3 CYS 9 3HB CYS 9 -4.897 6.092 -5.800 84 HG CYS 9 HG CYS 9 -6.006 3.854 -4.143 85 HA PRO 10 HA PRO 10 -7.858 7.005 -10.278 86 HB2 PRO 10 2HB PRO 10 -9.908 8.691 -9.708 87 HB3 PRO 10 3HB PRO 10 -10.138 6.963 -9.996 88 HG2 PRO 10 2HG PRO 10 -9.977 8.445 -7.400 89 HG3 PRO 10 3HG PRO 10 -11.090 7.151 -7.883 90 HD2 PRO 10 2HD PRO 10 -8.917 6.701 -6.330 91 HD3 PRO 10 3HD PRO 10 -9.540 5.495 -7.474 92 H LEU 11 H LEU 11 -6.910 8.442 -7.369 93 HA LEU 11 HA LEU 11 -6.821 11.166 -8.059 94 HB2 LEU 11 2HB LEU 11 -5.458 9.433 -6.069 95 HB3 LEU 11 3HB LEU 11 -4.775 11.028 -6.377 96 HG LEU 11 HG LEU 11 -7.438 11.578 -5.969 97 HD11 LEU 11 1HD1 LEU 11 -6.929 9.946 -3.604 98 HD12 LEU 11 2HD1 LEU 11 -7.197 9.006 -5.071 99 HD13 LEU 11 3HD1 LEU 11 -8.410 10.168 -4.535 100 HD21 LEU 11 3HD2 LEU 11 -5.449 11.519 -3.726 101 HD22 LEU 11 1HD2 LEU 11 -6.706 12.709 -4.068 102 HD23 LEU 11 2HD2 LEU 11 -5.267 12.629 -5.085 103 H PHE 12 H PHE 12 -4.393 8.595 -8.381 104 HA PHE 12 HA PHE 12 -2.925 10.343 -10.245 105 HB2 PHE 12 2HB PHE 12 -1.890 8.336 -8.246 106 HB3 PHE 12 3HB PHE 12 -0.906 8.921 -9.584 107 HD1 PHE 12 HD2 PHE 12 -2.995 10.212 -6.780 108 HD2 PHE 12 HD1 PHE 12 0.425 10.765 -9.253 109 HE1 PHE 12 HE2 PHE 12 -2.347 12.171 -5.440 110 HE2 PHE 12 HE1 PHE 12 1.079 12.725 -7.916 111 HZ PHE 12 HZ PHE 12 -0.308 13.431 -6.008 112 H GLY 13 H GLY 13 -3.600 9.659 -12.203 113 HA2 GLY 13 2HA GLY 13 -3.618 6.756 -12.719 114 HA3 GLY 13 3HA GLY 13 -4.517 7.950 -13.644 115 H LYS 14 H LYS 14 -3.355 9.345 -15.083 116 HA LYS 14 HA LYS 14 -1.357 7.997 -16.559 117 HB2 LYS 14 2HB LYS 14 -1.225 10.081 -17.879 118 HB3 LYS 14 3HB LYS 14 -2.882 9.543 -17.641 119 HG2 LYS 14 2HG LYS 14 -3.270 11.664 -17.068 120 HG3 LYS 14 3HG LYS 14 -2.546 11.216 -15.522 121 HD2 LYS 14 2HD LYS 14 -0.515 12.207 -16.040 122 HD3 LYS 14 3HD LYS 14 -0.813 12.140 -17.779 123 HE2 LYS 14 2HE LYS 14 -1.248 14.339 -17.498 124 HE3 LYS 14 3HE LYS 14 -2.838 13.737 -17.032 125 HZ1 LYS 14 3HZ LYS 14 -1.478 15.389 -15.520 126 HZ2 LYS 14 1HZ LYS 14 -0.808 13.947 -14.941 127 HZ3 LYS 14 2HZ LYS 14 -2.479 14.198 -14.855 128 H GLY 15 H GLY 15 -1.239 10.373 -14.007 129 HA2 GLY 15 2HA GLY 15 1.485 11.140 -14.422 130 HA3 GLY 15 3HA GLY 15 0.523 11.454 -12.985 131 H GLY 16 H GLY 16 -0.076 8.521 -12.749 132 HA2 GLY 16 2HA GLY 16 2.083 7.883 -11.003 133 HA3 GLY 16 3HA GLY 16 0.746 6.825 -11.428 Start of MODEL 2 1 H1 VAL 1 H VAL 1 -1.407 -4.264 -0.458 2 HA VAL 1 HA VAL 1 0.376 -2.893 -0.017 3 HB VAL 1 HB VAL 1 2.049 -2.793 -1.827 4 HG11 VAL 1 1HG1 VAL 1 1.847 -4.794 -0.422 5 HG12 VAL 1 2HG1 VAL 1 0.714 -5.487 -1.584 6 HG13 VAL 1 3HG1 VAL 1 2.388 -5.190 -2.053 7 HG21 VAL 1 3HG2 VAL 1 1.331 -2.696 -3.932 8 HG22 VAL 1 1HG2 VAL 1 0.951 -4.414 -3.810 9 HG23 VAL 1 2HG2 VAL 1 -0.290 -3.210 -3.464 10 H ALA 2 H ALA 2 1.699 -0.929 -0.947 11 HA ALA 2 HA ALA 2 -0.275 1.057 -1.867 12 HB1 ALA 2 1HB ALA 2 0.742 1.261 0.472 13 HB2 ALA 2 2HB ALA 2 2.226 1.735 -0.355 14 HB3 ALA 2 3HB ALA 2 0.760 2.694 -0.557 15 H ARG 3 H ARG 3 1.230 -0.599 -3.655 16 HA ARG 3 HA ARG 3 3.092 1.349 -4.841 17 HB2 ARG 3 2HB ARG 3 2.962 -1.649 -4.933 18 HB3 ARG 3 3HB ARG 3 3.791 -0.756 -6.201 19 HG2 ARG 3 2HG ARG 3 5.515 -0.177 -4.860 20 HG3 ARG 3 3HG ARG 3 4.501 -0.062 -3.420 21 HD2 ARG 3 2HD ARG 3 4.687 -2.292 -2.943 22 HD3 ARG 3 3HD ARG 3 4.926 -2.744 -4.630 23 HE ARG 3 HE ARG 3 7.101 -1.229 -3.519 24 HH11 ARG 3 1HH1 ARG 3 5.738 -4.406 -3.926 25 HH12 ARG 3 2HH1 ARG 3 7.255 -5.223 -3.744 26 HH21 ARG 3 1HH2 ARG 3 9.104 -2.292 -3.278 27 HH22 ARG 3 2HH2 ARG 3 9.169 -4.019 -3.374 28 H GLY 4 H GLY 4 0.195 -0.506 -5.343 29 HA2 GLY 4 2HA GLY 4 0.079 0.037 -8.184 30 HA3 GLY 4 3HA GLY 4 -1.150 -0.770 -7.223 31 H TRP 5 H TRP 5 0.173 2.360 -8.133 32 HA TRP 5 HA TRP 5 -2.188 3.702 -7.044 33 HB2 TRP 5 2HB TRP 5 0.548 4.559 -7.823 34 HB3 TRP 5 3HB TRP 5 -0.747 5.733 -8.042 35 HD1 TRP 5 HD1 TRP 5 0.913 3.644 -5.250 36 HE1 TRP 5 HE1 TRP 5 0.542 4.859 -3.012 37 HE3 TRP 5 HE3 TRP 5 -2.129 7.419 -6.871 38 HZ2 TRP 5 HZ2 TRP 5 -0.856 7.119 -2.059 39 HZ3 TRP 5 HZ3 TRP 5 -2.941 9.066 -5.232 40 HH2 TRP 5 HH2 TRP 5 -2.316 8.917 -2.877 41 H LYS 6 H LYS 6 -1.695 2.052 -9.694 42 HA LYS 6 HA LYS 6 -3.009 4.003 -11.470 43 HB2 LYS 6 2HB LYS 6 -2.135 2.664 -13.353 44 HB3 LYS 6 3HB LYS 6 -0.851 3.322 -12.347 45 HG2 LYS 6 2HG LYS 6 -1.730 0.646 -11.561 46 HG3 LYS 6 3HG LYS 6 -1.028 0.738 -13.178 47 HD2 LYS 6 2HD LYS 6 0.293 1.912 -10.739 48 HD3 LYS 6 3HD LYS 6 0.592 0.265 -11.300 49 HE2 LYS 6 2HE LYS 6 2.236 1.206 -12.503 50 HE3 LYS 6 3HE LYS 6 0.935 1.684 -13.593 51 HZ1 LYS 6 3HZ LYS 6 1.635 3.752 -13.245 52 HZ2 LYS 6 1HZ LYS 6 2.604 3.309 -11.931 53 HZ3 LYS 6 2HZ LYS 6 0.962 3.639 -11.697 54 H ARG 7 H ARG 7 -4.090 2.025 -9.430 55 HA ARG 7 HA ARG 7 -5.913 0.604 -11.259 56 HB2 ARG 7 2HB ARG 7 -4.593 -0.265 -8.729 57 HB3 ARG 7 3HB ARG 7 -6.210 -0.867 -9.072 58 HG2 ARG 7 2HG ARG 7 -5.404 -2.373 -10.478 59 HG3 ARG 7 3HG ARG 7 -4.568 -1.125 -11.404 60 HD2 ARG 7 2HD ARG 7 -2.843 -2.517 -10.699 61 HD3 ARG 7 3HD ARG 7 -2.815 -1.206 -9.522 62 HE ARG 7 HE ARG 7 -3.417 -2.699 -7.892 63 HH11 ARG 7 1HH1 ARG 7 -3.966 -4.128 -11.019 64 HH12 ARG 7 2HH1 ARG 7 -4.314 -5.702 -10.384 65 HH21 ARG 7 1HH2 ARG 7 -3.873 -4.767 -7.043 66 HH22 ARG 7 2HH2 ARG 7 -4.262 -6.064 -8.122 67 H LYS 8 H LYS 8 -6.016 1.158 -7.758 68 HA LYS 8 HA LYS 8 -8.699 2.301 -8.092 69 HB2 LYS 8 2HB LYS 8 -8.993 1.811 -5.694 70 HB3 LYS 8 3HB LYS 8 -8.582 0.371 -6.617 71 HG2 LYS 8 2HG LYS 8 -7.035 -0.005 -5.068 72 HG3 LYS 8 3HG LYS 8 -6.128 1.317 -5.806 73 HD2 LYS 8 2HD LYS 8 -6.248 1.777 -3.478 74 HD3 LYS 8 3HD LYS 8 -7.371 2.881 -4.274 75 HE2 LYS 8 2HE LYS 8 -9.246 1.616 -3.591 76 HE3 LYS 8 3HE LYS 8 -8.243 0.247 -3.114 77 HZ1 LYS 8 3HZ LYS 8 -7.234 1.987 -1.485 78 HZ2 LYS 8 1HZ LYS 8 -8.687 1.210 -1.102 79 HZ3 LYS 8 2HZ LYS 8 -8.707 2.786 -1.715 80 H CYS 9 H CYS 9 -5.812 3.535 -8.172 81 HA CYS 9 HA CYS 9 -6.466 5.812 -6.420 82 HB2 CYS 9 2HB CYS 9 -3.674 5.018 -7.247 83 HB3 CYS 9 3HB CYS 9 -4.144 6.176 -6.008 84 HG CYS 9 HG CYS 9 -3.056 3.503 -5.195 85 HA PRO 10 HA PRO 10 -6.513 7.335 -10.773 86 HB2 PRO 10 2HB PRO 10 -8.602 9.025 -10.386 87 HB3 PRO 10 3HB PRO 10 -8.810 7.315 -10.780 88 HG2 PRO 10 2HG PRO 10 -8.962 8.677 -8.119 89 HG3 PRO 10 3HG PRO 10 -10.017 7.423 -8.796 90 HD2 PRO 10 2HD PRO 10 -8.061 6.871 -7.007 91 HD3 PRO 10 3HD PRO 10 -8.547 5.726 -8.274 92 H LEU 11 H LEU 11 -5.921 8.626 -7.706 93 HA LEU 11 HA LEU 11 -5.722 11.376 -8.252 94 HB2 LEU 11 2HB LEU 11 -4.631 9.536 -6.191 95 HB3 LEU 11 3HB LEU 11 -3.906 11.136 -6.336 96 HG LEU 11 HG LEU 11 -6.869 10.918 -6.069 97 HD11 LEU 11 1HD1 LEU 11 -5.148 10.996 -3.626 98 HD12 LEU 11 2HD1 LEU 11 -5.621 9.451 -4.333 99 HD13 LEU 11 3HD1 LEU 11 -6.856 10.584 -3.783 100 HD21 LEU 11 3HD2 LEU 11 -5.275 13.025 -6.396 101 HD22 LEU 11 1HD2 LEU 11 -5.182 12.891 -4.639 102 HD23 LEU 11 2HD2 LEU 11 -6.748 13.093 -5.426 103 H PHE 12 H PHE 12 -3.298 8.785 -8.389 104 HA PHE 12 HA PHE 12 -1.591 10.593 -9.971 105 HB2 PHE 12 2HB PHE 12 -0.833 8.481 -7.956 106 HB3 PHE 12 3HB PHE 12 0.316 9.113 -9.131 107 HD1 PHE 12 HD1 PHE 12 -2.100 10.307 -6.556 108 HD2 PHE 12 HD2 PHE 12 1.614 10.917 -8.545 109 HE1 PHE 12 HE1 PHE 12 -1.608 12.192 -5.053 110 HE2 PHE 12 HE2 PHE 12 2.111 12.802 -7.044 111 HZ PHE 12 HZ PHE 12 0.500 13.442 -5.295 112 H GLY 13 H GLY 13 -3.686 8.829 -10.946 113 HA2 GLY 13 2HA GLY 13 -2.218 6.640 -12.214 114 HA3 GLY 13 3HA GLY 13 -3.958 6.882 -12.254 115 H LYS 14 H LYS 14 -3.413 9.793 -12.946 116 HA LYS 14 HA LYS 14 -3.412 9.392 -15.808 117 HB2 LYS 14 2HB LYS 14 -4.403 11.366 -13.983 118 HB3 LYS 14 3HB LYS 14 -3.389 12.158 -15.182 119 HG2 LYS 14 2HG LYS 14 -5.607 12.196 -16.005 120 HG3 LYS 14 3HG LYS 14 -4.727 10.993 -16.951 121 HD2 LYS 14 2HD LYS 14 -6.481 9.666 -16.485 122 HD3 LYS 14 3HD LYS 14 -5.701 9.473 -14.913 123 HE2 LYS 14 2HE LYS 14 -7.917 10.033 -14.406 124 HE3 LYS 14 3HE LYS 14 -7.024 11.539 -14.201 125 HZ1 LYS 14 3HZ LYS 14 -8.797 10.761 -16.439 126 HZ2 LYS 14 1HZ LYS 14 -7.706 12.048 -16.564 127 HZ3 LYS 14 2HZ LYS 14 -8.938 12.093 -15.406 128 H GLY 15 H GLY 15 -1.429 8.975 -16.626 129 HA2 GLY 15 2HA GLY 15 0.850 10.585 -15.739 130 HA3 GLY 15 3HA GLY 15 0.929 9.135 -16.728 131 H GLY 16 H GLY 16 -0.749 9.677 -18.793 132 HA2 GLY 16 2HA GLY 16 0.794 11.657 -20.247 133 HA3 GLY 16 3HA GLY 16 -0.406 10.564 -20.922 Start of MODEL 3 1 H1 VAL 1 H VAL 1 1.357 0.530 1.411 2 HA VAL 1 HA VAL 1 3.128 1.324 0.212 3 HB VAL 1 HB VAL 1 3.827 0.121 -1.872 4 HG11 VAL 1 1HG1 VAL 1 4.206 -2.120 -0.574 5 HG12 VAL 1 2HG1 VAL 1 4.974 -0.629 -0.023 6 HG13 VAL 1 3HG1 VAL 1 3.517 -1.219 0.776 7 HG21 VAL 1 3HG2 VAL 1 2.480 -1.313 -2.912 8 HG22 VAL 1 1HG2 VAL 1 2.214 -2.223 -1.426 9 HG23 VAL 1 2HG2 VAL 1 1.200 -0.830 -1.800 10 H ALA 2 H ALA 2 3.614 2.579 -1.731 11 HA ALA 2 HA ALA 2 1.155 3.676 -2.893 12 HB1 ALA 2 1HB ALA 2 2.506 5.312 -1.782 13 HB2 ALA 2 2HB ALA 2 3.937 4.816 -2.688 14 HB3 ALA 2 3HB ALA 2 2.596 5.605 -3.519 15 H ARG 3 H ARG 3 1.962 1.235 -3.941 16 HA ARG 3 HA ARG 3 3.136 1.956 -6.542 17 HB2 ARG 3 2HB ARG 3 4.437 0.256 -5.470 18 HB3 ARG 3 3HB ARG 3 3.000 -0.682 -5.083 19 HG2 ARG 3 2HG ARG 3 4.229 -1.681 -6.922 20 HG3 ARG 3 3HG ARG 3 2.641 -1.124 -7.455 21 HD2 ARG 3 2HD ARG 3 3.507 0.530 -8.760 22 HD3 ARG 3 3HD ARG 3 4.908 0.768 -7.716 23 HE ARG 3 HE ARG 3 5.249 -1.712 -8.849 24 HH11 ARG 3 1HH1 ARG 3 4.866 1.550 -10.004 25 HH12 ARG 3 2HH1 ARG 3 5.810 1.293 -11.433 26 HH21 ARG 3 1HH2 ARG 3 6.494 -2.063 -10.728 27 HH22 ARG 3 2HH2 ARG 3 6.735 -0.762 -11.845 28 H GLY 4 H GLY 4 0.340 0.671 -4.939 29 HA2 GLY 4 2HA GLY 4 -0.881 -0.103 -7.490 30 HA3 GLY 4 3HA GLY 4 -1.515 -0.461 -5.890 31 H TRP 5 H TRP 5 -0.612 2.495 -7.672 32 HA TRP 5 HA TRP 5 -3.040 3.771 -6.648 33 HB2 TRP 5 2HB TRP 5 -0.409 4.741 -7.628 34 HB3 TRP 5 3HB TRP 5 -1.802 5.775 -7.935 35 HD1 TRP 5 HD1 TRP 5 0.102 4.175 -4.980 36 HE1 TRP 5 HE1 TRP 5 -0.304 5.619 -2.889 37 HE3 TRP 5 HE3 TRP 5 -3.285 7.477 -6.920 38 HZ2 TRP 5 HZ2 TRP 5 -1.856 7.861 -2.159 39 HZ3 TRP 5 HZ3 TRP 5 -4.182 9.241 -5.459 40 HH2 TRP 5 HH2 TRP 5 -3.482 9.427 -3.127 41 H LYS 6 H LYS 6 -2.490 1.859 -9.104 42 HA LYS 6 HA LYS 6 -4.014 3.473 -11.044 43 HB2 LYS 6 2HB LYS 6 -3.084 2.010 -12.793 44 HB3 LYS 6 3HB LYS 6 -1.823 2.855 -11.906 45 HG2 LYS 6 2HG LYS 6 -0.852 0.854 -11.760 46 HG3 LYS 6 3HG LYS 6 -2.040 0.531 -10.495 47 HD2 LYS 6 2HD LYS 6 -2.837 -1.143 -11.721 48 HD3 LYS 6 3HD LYS 6 -3.320 0.024 -12.954 49 HE2 LYS 6 2HE LYS 6 -1.456 -0.361 -14.240 50 HE3 LYS 6 3HE LYS 6 -0.482 -0.878 -12.864 51 HZ1 LYS 6 3HZ LYS 6 -1.207 -2.994 -13.031 52 HZ2 LYS 6 1HZ LYS 6 -1.472 -2.563 -14.645 53 HZ3 LYS 6 2HZ LYS 6 -2.758 -2.559 -13.546 54 H ARG 7 H ARG 7 -4.866 1.674 -8.745 55 HA ARG 7 HA ARG 7 -6.618 -0.095 -10.322 56 HB2 ARG 7 2HB ARG 7 -5.077 -0.572 -7.836 57 HB3 ARG 7 3HB ARG 7 -6.702 -1.242 -7.885 58 HG2 ARG 7 2HG ARG 7 -6.084 -2.886 -9.247 59 HG3 ARG 7 3HG ARG 7 -5.228 -1.778 -10.322 60 HD2 ARG 7 2HD ARG 7 -3.298 -1.807 -8.840 61 HD3 ARG 7 3HD ARG 7 -4.157 -2.861 -7.719 62 HE ARG 7 HE ARG 7 -2.854 -3.624 -10.162 63 HH11 ARG 7 1HH1 ARG 7 -5.335 -4.452 -7.865 64 HH12 ARG 7 2HH1 ARG 7 -5.317 -6.140 -8.256 65 HH21 ARG 7 1HH2 ARG 7 -2.820 -5.844 -10.686 66 HH22 ARG 7 2HH2 ARG 7 -3.885 -6.931 -9.861 67 H LYS 8 H LYS 8 -6.663 0.865 -6.908 68 HA LYS 8 HA LYS 8 -9.440 1.743 -7.268 69 HB2 LYS 8 2HB LYS 8 -9.676 1.470 -4.861 70 HB3 LYS 8 3HB LYS 8 -9.033 -0.001 -5.578 71 HG2 LYS 8 2HG LYS 8 -6.932 1.801 -4.719 72 HG3 LYS 8 3HG LYS 8 -8.013 1.349 -3.399 73 HD2 LYS 8 2HD LYS 8 -7.183 -0.855 -5.168 74 HD3 LYS 8 3HD LYS 8 -5.894 -0.129 -4.205 75 HE2 LYS 8 2HE LYS 8 -6.890 -0.720 -2.197 76 HE3 LYS 8 3HE LYS 8 -8.490 -0.876 -2.921 77 HZ1 LYS 8 3HZ LYS 8 -7.528 -2.832 -4.169 78 HZ2 LYS 8 1HZ LYS 8 -7.765 -3.049 -2.508 79 HZ3 LYS 8 2HZ LYS 8 -6.212 -2.754 -3.109 80 H CYS 9 H CYS 9 -6.669 3.184 -7.607 81 HA CYS 9 HA CYS 9 -7.458 5.597 -6.110 82 HB2 CYS 9 2HB CYS 9 -4.636 4.931 -6.947 83 HB3 CYS 9 3HB CYS 9 -5.163 6.191 -5.838 84 HG CYS 9 HG CYS 9 -6.304 3.788 -4.277 85 HA PRO 10 HA PRO 10 -7.764 6.576 -10.606 86 HB2 PRO 10 2HB PRO 10 -9.972 8.132 -10.336 87 HB3 PRO 10 3HB PRO 10 -10.051 6.376 -10.518 88 HG2 PRO 10 2HG PRO 10 -10.232 8.033 -8.031 89 HG3 PRO 10 3HG PRO 10 -11.201 6.628 -8.513 90 HD2 PRO 10 2HD PRO 10 -9.152 6.450 -6.752 91 HD3 PRO 10 3HD PRO 10 -9.580 5.126 -7.855 92 H LEU 11 H LEU 11 -7.187 8.270 -7.738 93 HA LEU 11 HA LEU 11 -7.232 10.942 -8.611 94 HB2 LEU 11 2HB LEU 11 -5.938 9.452 -6.392 95 HB3 LEU 11 3HB LEU 11 -5.338 11.068 -6.756 96 HG LEU 11 HG LEU 11 -8.267 10.709 -6.368 97 HD11 LEU 11 1HD1 LEU 11 -7.453 9.459 -4.507 98 HD12 LEU 11 2HD1 LEU 11 -7.930 11.051 -3.919 99 HD13 LEU 11 3HD1 LEU 11 -6.224 10.674 -4.156 100 HD21 LEU 11 3HD2 LEU 11 -7.732 12.892 -6.902 101 HD22 LEU 11 1HD2 LEU 11 -6.216 12.852 -6.002 102 HD23 LEU 11 2HD2 LEU 11 -7.751 12.939 -5.138 103 H PHE 12 H PHE 12 -4.607 8.551 -8.541 104 HA PHE 12 HA PHE 12 -3.106 10.283 -10.394 105 HB2 PHE 12 2HB PHE 12 -2.116 8.499 -8.175 106 HB3 PHE 12 3HB PHE 12 -1.059 9.065 -9.465 107 HD1 PHE 12 HD2 PHE 12 -3.472 10.376 -6.944 108 HD2 PHE 12 HD1 PHE 12 0.102 11.026 -9.163 109 HE1 PHE 12 HE2 PHE 12 -3.084 12.464 -5.702 110 HE2 PHE 12 HE1 PHE 12 0.495 13.115 -7.924 111 HZ PHE 12 HZ PHE 12 -1.100 13.837 -6.191 112 H GLY 13 H GLY 13 -3.650 9.404 -12.331 113 HA2 GLY 13 2HA GLY 13 -3.318 6.491 -12.645 114 HA3 GLY 13 3HA GLY 13 -4.305 7.509 -13.683 115 H LYS 14 H LYS 14 -2.550 9.582 -14.213 116 HA LYS 14 HA LYS 14 -0.898 8.370 -16.211 117 HB2 LYS 14 2HB LYS 14 -0.238 10.707 -16.731 118 HB3 LYS 14 3HB LYS 14 -1.981 10.474 -16.694 119 HG2 LYS 14 2HG LYS 14 -2.020 12.284 -15.399 120 HG3 LYS 14 3HG LYS 14 -1.436 11.219 -14.117 121 HD2 LYS 14 2HD LYS 14 0.791 11.898 -14.418 122 HD3 LYS 14 3HD LYS 14 0.450 12.610 -15.997 123 HE2 LYS 14 2HE LYS 14 -0.669 14.446 -15.043 124 HE3 LYS 14 3HE LYS 14 -0.812 13.649 -13.477 125 HZ1 LYS 14 3HZ LYS 14 1.725 13.721 -13.472 126 HZ2 LYS 14 1HZ LYS 14 0.900 15.171 -13.191 127 HZ3 LYS 14 2HZ LYS 14 1.579 14.866 -14.709 128 H GLY 15 H GLY 15 -0.406 9.607 -12.997 129 HA2 GLY 15 2HA GLY 15 2.341 10.111 -13.043 130 HA3 GLY 15 3HA GLY 15 1.433 9.606 -11.625 131 H GLY 16 H GLY 16 0.652 7.081 -12.219 132 HA2 GLY 16 2HA GLY 16 3.245 5.694 -12.388 133 HA3 GLY 16 3HA GLY 16 1.825 5.090 -11.548 Start of MODEL 4 1 H1 VAL 1 H VAL 1 6.359 2.363 -0.947 2 HA VAL 1 HA VAL 1 5.980 3.614 -2.811 3 HB VAL 1 HB VAL 1 6.383 2.652 -4.996 4 HG11 VAL 1 1HG1 VAL 1 8.406 1.155 -3.464 5 HG12 VAL 1 2HG1 VAL 1 8.605 2.409 -4.689 6 HG13 VAL 1 3HG1 VAL 1 8.214 2.852 -3.027 7 HG21 VAL 1 3HG2 VAL 1 5.803 0.562 -5.476 8 HG22 VAL 1 1HG2 VAL 1 7.032 -0.040 -4.364 9 HG23 VAL 1 2HG2 VAL 1 5.398 0.282 -3.783 10 H ALA 2 H ALA 2 4.534 3.590 -4.943 11 HA ALA 2 HA ALA 2 1.854 2.912 -4.010 12 HB1 ALA 2 1HB ALA 2 1.118 4.682 -5.179 13 HB2 ALA 2 2HB ALA 2 2.818 5.152 -5.203 14 HB3 ALA 2 3HB ALA 2 2.119 4.301 -6.580 15 H ARG 3 H ARG 3 1.544 0.761 -4.400 16 HA ARG 3 HA ARG 3 1.979 -0.206 -7.141 17 HB2 ARG 3 2HB ARG 3 1.565 -1.746 -4.572 18 HB3 ARG 3 3HB ARG 3 1.787 -2.472 -6.158 19 HG2 ARG 3 2HG ARG 3 4.021 -1.838 -6.275 20 HG3 ARG 3 3HG ARG 3 3.834 -0.608 -5.023 21 HD2 ARG 3 2HD ARG 3 4.104 -2.090 -3.346 22 HD3 ARG 3 3HD ARG 3 3.211 -3.357 -4.186 23 HE ARG 3 HE ARG 3 6.044 -2.974 -4.164 24 HH11 ARG 3 1HH1 ARG 3 3.374 -4.188 -6.040 25 HH12 ARG 3 2HH1 ARG 3 4.345 -5.305 -6.940 26 HH21 ARG 3 1HH2 ARG 3 7.333 -4.441 -5.343 27 HH22 ARG 3 2HH2 ARG 3 6.596 -5.449 -6.542 28 H GLY 4 H GLY 4 -0.437 0.289 -4.664 29 HA2 GLY 4 2HA GLY 4 -2.491 -0.775 -6.500 30 HA3 GLY 4 3HA GLY 4 -2.661 -0.711 -4.752 31 H TRP 5 H TRP 5 -1.407 1.862 -6.810 32 HA TRP 5 HA TRP 5 -3.730 3.497 -6.025 33 HB2 TRP 5 2HB TRP 5 -0.821 4.087 -6.172 34 HB3 TRP 5 3HB TRP 5 -1.921 5.373 -6.659 35 HD1 TRP 5 HD1 TRP 5 -1.112 3.174 -3.591 36 HE1 TRP 5 HE1 TRP 5 -1.855 4.441 -1.477 37 HE3 TRP 5 HE3 TRP 5 -3.376 7.187 -5.805 38 HZ2 TRP 5 HZ2 TRP 5 -3.222 6.826 -0.834 39 HZ3 TRP 5 HZ3 TRP 5 -4.377 8.916 -4.370 40 HH2 TRP 5 HH2 TRP 5 -4.301 8.737 -1.936 41 H LYS 6 H LYS 6 -2.820 1.775 -8.513 42 HA LYS 6 HA LYS 6 -3.519 3.817 -10.519 43 HB2 LYS 6 2HB LYS 6 -2.407 2.296 -12.169 44 HB3 LYS 6 3HB LYS 6 -1.318 2.983 -10.971 45 HG2 LYS 6 2HG LYS 6 -0.625 0.947 -10.468 46 HG3 LYS 6 3HG LYS 6 -2.252 0.543 -9.917 47 HD2 LYS 6 2HD LYS 6 -2.147 -1.022 -11.533 48 HD3 LYS 6 3HD LYS 6 -2.555 0.323 -12.601 49 HE2 LYS 6 2HE LYS 6 0.265 -0.508 -11.937 50 HE3 LYS 6 3HE LYS 6 -0.617 -1.072 -13.355 51 HZ1 LYS 6 3HZ LYS 6 0.507 1.564 -12.793 52 HZ2 LYS 6 1HZ LYS 6 -0.940 1.513 -13.668 53 HZ3 LYS 6 2HZ LYS 6 0.429 0.710 -14.251 54 H ARG 7 H ARG 7 -5.203 1.970 -8.788 55 HA ARG 7 HA ARG 7 -6.698 0.702 -10.989 56 HB2 ARG 7 2HB ARG 7 -6.335 -0.204 -8.133 57 HB3 ARG 7 3HB ARG 7 -7.575 -0.860 -9.194 58 HG2 ARG 7 2HG ARG 7 -6.127 -2.197 -10.220 59 HG3 ARG 7 3HG ARG 7 -4.947 -0.900 -10.419 60 HD2 ARG 7 2HD ARG 7 -4.068 -1.257 -8.237 61 HD3 ARG 7 3HD ARG 7 -5.391 -2.343 -7.816 62 HE ARG 7 HE ARG 7 -3.872 -3.269 -10.056 63 HH11 ARG 7 1HH1 ARG 7 -3.988 -3.129 -6.579 64 HH12 ARG 7 2HH1 ARG 7 -3.017 -4.547 -6.359 65 HH21 ARG 7 1HH2 ARG 7 -2.592 -5.137 -9.779 66 HH22 ARG 7 2HH2 ARG 7 -2.223 -5.688 -8.180 67 H LYS 8 H LYS 8 -7.525 1.303 -7.593 68 HA LYS 8 HA LYS 8 -9.949 2.682 -8.504 69 HB2 LYS 8 2HB LYS 8 -9.379 1.705 -5.709 70 HB3 LYS 8 3HB LYS 8 -10.935 2.131 -6.408 71 HG2 LYS 8 2HG LYS 8 -11.219 -0.036 -6.788 72 HG3 LYS 8 3HG LYS 8 -10.003 0.120 -8.058 73 HD2 LYS 8 2HD LYS 8 -8.268 -0.306 -6.263 74 HD3 LYS 8 3HD LYS 8 -9.607 -0.754 -5.204 75 HE2 LYS 8 2HE LYS 8 -10.278 -2.488 -6.801 76 HE3 LYS 8 3HE LYS 8 -8.934 -2.040 -7.850 77 HZ1 LYS 8 3HZ LYS 8 -7.695 -3.465 -6.719 78 HZ2 LYS 8 1HZ LYS 8 -8.939 -3.766 -5.612 79 HZ3 LYS 8 2HZ LYS 8 -7.856 -2.496 -5.342 80 H CYS 9 H CYS 9 -7.014 3.645 -7.928 81 HA CYS 9 HA CYS 9 -7.829 5.995 -6.348 82 HB2 CYS 9 2HB CYS 9 -5.007 4.942 -6.538 83 HB3 CYS 9 3HB CYS 9 -5.636 6.149 -5.423 84 HG CYS 9 HG CYS 9 -6.411 4.531 -3.566 85 HA PRO 10 HA PRO 10 -6.763 7.458 -10.591 86 HB2 PRO 10 2HB PRO 10 -8.723 9.335 -10.669 87 HB3 PRO 10 3HB PRO 10 -8.993 7.645 -11.113 88 HG2 PRO 10 2HG PRO 10 -9.611 9.050 -8.543 89 HG3 PRO 10 3HG PRO 10 -10.598 7.888 -9.448 90 HD2 PRO 10 2HD PRO 10 -9.150 7.185 -7.271 91 HD3 PRO 10 3HD PRO 10 -9.442 6.073 -8.623 92 H LEU 11 H LEU 11 -6.756 8.729 -7.460 93 HA LEU 11 HA LEU 11 -6.188 11.443 -7.930 94 HB2 LEU 11 2HB LEU 11 -5.748 9.542 -5.685 95 HB3 LEU 11 3HB LEU 11 -4.892 11.083 -5.654 96 HG LEU 11 HG LEU 11 -7.890 10.809 -5.850 97 HD11 LEU 11 1HD1 LEU 11 -7.972 11.387 -3.512 98 HD12 LEU 11 2HD1 LEU 11 -6.213 11.479 -3.436 99 HD13 LEU 11 3HD1 LEU 11 -7.003 9.928 -3.719 100 HD21 LEU 11 3HD2 LEU 11 -6.764 13.275 -4.805 101 HD22 LEU 11 1HD2 LEU 11 -7.971 13.026 -6.066 102 HD23 LEU 11 2HD2 LEU 11 -6.255 12.945 -6.462 103 H PHE 12 H PHE 12 -4.046 8.639 -7.530 104 HA PHE 12 HA PHE 12 -1.866 10.259 -8.674 105 HB2 PHE 12 2HB PHE 12 -1.775 8.111 -6.559 106 HB3 PHE 12 3HB PHE 12 -0.339 8.637 -7.432 107 HD1 PHE 12 HD2 PHE 12 -3.180 10.065 -5.483 108 HD2 PHE 12 HD1 PHE 12 0.941 10.309 -6.519 109 HE1 PHE 12 HE2 PHE 12 -2.891 11.912 -3.884 110 HE2 PHE 12 HE1 PHE 12 1.237 12.156 -4.921 111 HZ PHE 12 HZ PHE 12 -0.680 12.961 -3.601 112 H GLY 13 H GLY 13 -3.836 8.685 -10.114 113 HA2 GLY 13 2HA GLY 13 -2.684 6.199 -10.907 114 HA3 GLY 13 3HA GLY 13 -3.984 7.050 -11.728 115 H LYS 14 H LYS 14 -2.970 9.313 -12.624 116 HA LYS 14 HA LYS 14 -1.359 8.525 -14.806 117 HB2 LYS 14 2HB LYS 14 -2.973 10.666 -14.262 118 HB3 LYS 14 3HB LYS 14 -1.376 11.396 -14.166 119 HG2 LYS 14 2HG LYS 14 -2.055 11.687 -16.386 120 HG3 LYS 14 3HG LYS 14 -0.918 10.337 -16.427 121 HD2 LYS 14 2HD LYS 14 -2.470 9.012 -17.309 122 HD3 LYS 14 3HD LYS 14 -3.561 9.340 -15.960 123 HE2 LYS 14 2HE LYS 14 -3.232 11.199 -18.306 124 HE3 LYS 14 3HE LYS 14 -4.437 9.912 -18.259 125 HZ1 LYS 14 3HZ LYS 14 -5.540 11.818 -17.521 126 HZ2 LYS 14 1HZ LYS 14 -4.254 12.310 -16.537 127 HZ3 LYS 14 2HZ LYS 14 -5.189 10.970 -16.100 128 H GLY 15 H GLY 15 0.757 8.175 -14.855 129 HA2 GLY 15 2HA GLY 15 2.440 8.972 -12.653 130 HA3 GLY 15 3HA GLY 15 2.934 8.053 -14.067 131 H GLY 16 H GLY 16 4.052 9.057 -15.638 132 HA2 GLY 16 2HA GLY 16 4.074 12.004 -15.644 133 HA3 GLY 16 3HA GLY 16 5.588 11.112 -15.601 Start of MODEL 5 1 H1 VAL 1 H VAL 1 -1.605 -0.148 0.294 2 HA VAL 1 HA VAL 1 1.212 -0.475 -0.067 3 HB VAL 1 HB VAL 1 0.641 -1.527 -2.198 4 HG11 VAL 1 1HG1 VAL 1 0.121 -3.390 -1.099 5 HG12 VAL 1 2HG1 VAL 1 -0.103 -2.398 0.343 6 HG13 VAL 1 3HG1 VAL 1 -1.480 -2.774 -0.693 7 HG21 VAL 1 3HG2 VAL 1 -1.935 -0.150 -1.723 8 HG22 VAL 1 1HG2 VAL 1 -1.084 -0.479 -3.233 9 HG23 VAL 1 2HG2 VAL 1 -2.013 -1.756 -2.446 10 H ALA 2 H ALA 2 2.604 0.606 -1.369 11 HA ALA 2 HA ALA 2 1.541 2.966 -2.780 12 HB1 ALA 2 1HB ALA 2 4.346 2.723 -1.730 13 HB2 ALA 2 2HB ALA 2 3.485 4.176 -2.240 14 HB3 ALA 2 3HB ALA 2 3.020 3.353 -0.752 15 H ARG 3 H ARG 3 1.897 0.224 -3.811 16 HA ARG 3 HA ARG 3 4.004 0.682 -5.811 17 HB2 ARG 3 2HB ARG 3 3.794 -1.773 -6.255 18 HB3 ARG 3 3HB ARG 3 4.352 -1.376 -4.635 19 HG2 ARG 3 2HG ARG 3 2.062 -1.728 -3.792 20 HG3 ARG 3 3HG ARG 3 1.566 -2.210 -5.416 21 HD2 ARG 3 2HD ARG 3 1.984 -4.213 -4.234 22 HD3 ARG 3 3HD ARG 3 3.366 -3.978 -5.303 23 HE ARG 3 HE ARG 3 3.876 -2.847 -2.760 24 HH11 ARG 3 1HH1 ARG 3 3.644 -5.905 -4.406 25 HH12 ARG 3 2HH1 ARG 3 4.736 -6.715 -3.331 26 HH21 ARG 3 1HH2 ARG 3 5.315 -3.901 -1.338 27 HH22 ARG 3 2HH2 ARG 3 5.685 -5.573 -1.586 28 H GLY 4 H GLY 4 0.592 0.054 -5.360 29 HA2 GLY 4 2HA GLY 4 0.216 0.225 -8.285 30 HA3 GLY 4 3HA GLY 4 -0.879 -0.614 -7.196 31 H TRP 5 H TRP 5 0.073 2.442 -8.517 32 HA TRP 5 HA TRP 5 -2.107 3.764 -7.045 33 HB2 TRP 5 2HB TRP 5 0.525 4.695 -8.060 34 HB3 TRP 5 3HB TRP 5 -0.810 5.841 -8.145 35 HD1 TRP 5 HD1 TRP 5 1.146 3.765 -5.543 36 HE1 TRP 5 HE1 TRP 5 0.951 4.946 -3.265 37 HE3 TRP 5 HE3 TRP 5 -2.123 7.478 -6.832 38 HZ2 TRP 5 HZ2 TRP 5 -0.409 7.159 -2.160 39 HZ3 TRP 5 HZ3 TRP 5 -2.821 9.086 -5.105 40 HH2 TRP 5 HH2 TRP 5 -1.981 8.928 -2.818 41 H LYS 6 H LYS 6 -1.827 2.159 -9.752 42 HA LYS 6 HA LYS 6 -3.346 4.099 -11.369 43 HB2 LYS 6 2HB LYS 6 -2.651 2.603 -13.314 44 HB3 LYS 6 3HB LYS 6 -1.391 3.589 -12.586 45 HG2 LYS 6 2HG LYS 6 -1.755 0.836 -11.548 46 HG3 LYS 6 3HG LYS 6 -1.033 1.030 -13.147 47 HD2 LYS 6 2HD LYS 6 0.149 2.910 -11.346 48 HD3 LYS 6 3HD LYS 6 0.210 1.300 -10.625 49 HE2 LYS 6 2HE LYS 6 1.207 0.449 -12.726 50 HE3 LYS 6 3HE LYS 6 1.228 2.097 -13.350 51 HZ1 LYS 6 3HZ LYS 6 2.878 0.883 -11.253 52 HZ2 LYS 6 1HZ LYS 6 2.528 2.535 -11.145 53 HZ3 LYS 6 2HZ LYS 6 3.326 1.926 -12.506 54 H ARG 7 H ARG 7 -4.181 2.063 -9.269 55 HA ARG 7 HA ARG 7 -6.133 0.623 -10.943 56 HB2 ARG 7 2HB ARG 7 -4.685 -0.234 -8.452 57 HB3 ARG 7 3HB ARG 7 -6.215 -0.972 -8.908 58 HG2 ARG 7 2HG ARG 7 -5.145 -2.345 -10.269 59 HG3 ARG 7 3HG ARG 7 -4.546 -0.968 -11.195 60 HD2 ARG 7 2HD ARG 7 -2.643 -0.768 -9.682 61 HD3 ARG 7 3HD ARG 7 -3.250 -2.121 -8.728 62 HE ARG 7 HE ARG 7 -1.803 -2.262 -11.194 63 HH11 ARG 7 1HH1 ARG 7 -4.144 -3.878 -9.186 64 HH12 ARG 7 2HH1 ARG 7 -3.797 -5.451 -9.823 65 HH21 ARG 7 1HH2 ARG 7 -1.337 -4.329 -12.039 66 HH22 ARG 7 2HH2 ARG 7 -2.199 -5.707 -11.445 67 H LYS 8 H LYS 8 -5.916 1.126 -7.439 68 HA LYS 8 HA LYS 8 -8.648 2.195 -7.498 69 HB2 LYS 8 2HB LYS 8 -8.692 1.675 -5.087 70 HB3 LYS 8 3HB LYS 8 -8.338 0.257 -6.065 71 HG2 LYS 8 2HG LYS 8 -5.956 1.693 -5.176 72 HG3 LYS 8 3HG LYS 8 -6.943 1.052 -3.860 73 HD2 LYS 8 2HD LYS 8 -6.893 -1.164 -4.929 74 HD3 LYS 8 3HD LYS 8 -5.867 -0.511 -6.208 75 HE2 LYS 8 2HE LYS 8 -4.558 -1.698 -4.512 76 HE3 LYS 8 3HE LYS 8 -4.140 0.014 -4.578 77 HZ1 LYS 8 3HZ LYS 8 -4.698 -1.305 -2.324 78 HZ2 LYS 8 1HZ LYS 8 -6.225 -0.675 -2.690 79 HZ3 LYS 8 2HZ LYS 8 -4.902 0.364 -2.512 80 H CYS 9 H CYS 9 -5.813 3.511 -7.834 81 HA CYS 9 HA CYS 9 -6.362 5.753 -6.002 82 HB2 CYS 9 2HB CYS 9 -3.640 5.043 -7.095 83 HB3 CYS 9 3HB CYS 9 -4.021 6.179 -5.808 84 HG CYS 9 HG CYS 9 -4.718 4.266 -3.946 85 HA PRO 10 HA PRO 10 -6.861 7.317 -10.311 86 HB2 PRO 10 2HB PRO 10 -8.942 8.951 -9.705 87 HB3 PRO 10 3HB PRO 10 -9.147 7.240 -10.098 88 HG2 PRO 10 2HG PRO 10 -9.074 8.573 -7.419 89 HG3 PRO 10 3HG PRO 10 -10.159 7.300 -8.005 90 HD2 PRO 10 2HD PRO 10 -8.027 6.780 -6.419 91 HD3 PRO 10 3HD PRO 10 -8.606 5.635 -7.647 92 H LEU 11 H LEU 11 -6.008 8.594 -7.300 93 HA LEU 11 HA LEU 11 -5.927 11.354 -7.834 94 HB2 LEU 11 2HB LEU 11 -4.600 9.524 -5.903 95 HB3 LEU 11 3HB LEU 11 -3.938 11.146 -6.097 96 HG LEU 11 HG LEU 11 -6.563 11.711 -5.727 97 HD11 LEU 11 1HD1 LEU 11 -7.221 10.312 -3.734 98 HD12 LEU 11 2HD1 LEU 11 -5.960 9.179 -4.221 99 HD13 LEU 11 3HD1 LEU 11 -7.312 9.510 -5.303 100 HD21 LEU 11 3HD2 LEU 11 -4.618 11.279 -3.469 101 HD22 LEU 11 1HD2 LEU 11 -5.939 12.444 -3.552 102 HD23 LEU 11 2HD2 LEU 11 -4.528 12.637 -4.591 103 H PHE 12 H PHE 12 -3.460 8.826 -8.213 104 HA PHE 12 HA PHE 12 -1.956 10.684 -9.937 105 HB2 PHE 12 2HB PHE 12 -0.958 8.583 -8.017 106 HB3 PHE 12 3HB PHE 12 0.060 9.257 -9.287 107 HD1 PHE 12 HD2 PHE 12 -2.140 10.360 -6.487 108 HD2 PHE 12 HD1 PHE 12 1.353 11.094 -8.805 109 HE1 PHE 12 HE2 PHE 12 -1.566 12.248 -5.018 110 HE2 PHE 12 HE1 PHE 12 1.934 12.982 -7.339 111 HZ PHE 12 HZ PHE 12 0.473 13.563 -5.443 112 H GLY 13 H GLY 13 -4.086 8.868 -10.723 113 HA2 GLY 13 2HA GLY 13 -2.866 6.581 -11.976 114 HA3 GLY 13 3HA GLY 13 -4.526 7.122 -12.178 115 H LYS 14 H LYS 14 -3.742 9.828 -12.962 116 HA LYS 14 HA LYS 14 -3.558 9.413 -15.755 117 HB2 LYS 14 2HB LYS 14 -4.289 11.509 -14.106 118 HB3 LYS 14 3HB LYS 14 -2.807 12.090 -14.854 119 HG2 LYS 14 2HG LYS 14 -4.511 12.832 -16.261 120 HG3 LYS 14 3HG LYS 14 -3.858 11.408 -17.074 121 HD2 LYS 14 2HD LYS 14 -5.974 10.692 -17.182 122 HD3 LYS 14 3HD LYS 14 -5.824 10.358 -15.456 123 HE2 LYS 14 2HE LYS 14 -6.737 12.527 -14.917 124 HE3 LYS 14 3HE LYS 14 -6.769 12.974 -16.622 125 HZ1 LYS 14 3HZ LYS 14 -8.604 11.321 -15.111 126 HZ2 LYS 14 1HZ LYS 14 -8.207 10.724 -16.644 127 HZ3 LYS 14 2HZ LYS 14 -8.879 12.268 -16.485 128 H GLY 15 H GLY 15 -1.765 8.614 -16.662 129 HA2 GLY 15 2HA GLY 15 0.858 9.371 -15.633 130 HA3 GLY 15 3HA GLY 15 0.529 8.133 -16.835 131 H GLY 16 H GLY 16 -0.716 9.303 -18.839 132 HA2 GLY 16 2HA GLY 16 0.310 11.887 -19.518 133 HA3 GLY 16 3HA GLY 16 1.211 10.600 -20.304 Start of MODEL 6 1 H1 VAL 1 H VAL 1 4.012 3.339 0.368 2 HA VAL 1 HA VAL 1 4.974 3.317 -1.715 3 HB VAL 1 HB VAL 1 3.359 0.783 -2.009 4 HG11 VAL 1 1HG1 VAL 1 5.416 0.068 -3.276 5 HG12 VAL 1 2HG1 VAL 1 4.442 1.319 -4.052 6 HG13 VAL 1 3HG1 VAL 1 5.938 1.752 -3.222 7 HG21 VAL 1 3HG2 VAL 1 5.875 0.086 -1.102 8 HG22 VAL 1 1HG2 VAL 1 5.447 1.486 -0.118 9 HG23 VAL 1 2HG2 VAL 1 4.387 0.077 -0.157 10 H ALA 2 H ALA 2 4.709 3.725 -3.928 11 HA ALA 2 HA ALA 2 1.974 4.494 -4.672 12 HB1 ALA 2 1HB ALA 2 2.908 6.077 -6.165 13 HB2 ALA 2 2HB ALA 2 3.820 6.212 -4.661 14 HB3 ALA 2 3HB ALA 2 4.513 5.356 -6.038 15 H ARG 3 H ARG 3 2.211 1.866 -4.887 16 HA ARG 3 HA ARG 3 2.750 1.354 -7.739 17 HB2 ARG 3 2HB ARG 3 2.972 -0.431 -5.325 18 HB3 ARG 3 3HB ARG 3 2.857 -1.090 -6.951 19 HG2 ARG 3 2HG ARG 3 4.899 -0.053 -7.601 20 HG3 ARG 3 3HG ARG 3 4.966 0.877 -6.103 21 HD2 ARG 3 2HD ARG 3 6.417 -0.822 -5.599 22 HD3 ARG 3 3HD ARG 3 4.907 -1.506 -5.001 23 HE ARG 3 HE ARG 3 5.274 -2.251 -7.689 24 HH11 ARG 3 1HH1 ARG 3 6.566 -2.867 -4.516 25 HH12 ARG 3 2HH1 ARG 3 7.086 -4.475 -4.897 26 HH21 ARG 3 1HH2 ARG 3 5.954 -4.367 -8.204 27 HH22 ARG 3 2HH2 ARG 3 6.738 -5.327 -6.996 28 H GLY 4 H GLY 4 0.455 1.089 -5.126 29 HA2 GLY 4 2HA GLY 4 -1.475 -0.197 -6.945 30 HA3 GLY 4 3HA GLY 4 -1.581 -0.205 -5.191 31 H TRP 5 H TRP 5 -1.078 2.432 -7.527 32 HA TRP 5 HA TRP 5 -3.440 3.758 -6.364 33 HB2 TRP 5 2HB TRP 5 -0.757 4.771 -7.139 34 HB3 TRP 5 3HB TRP 5 -2.130 5.825 -7.468 35 HD1 TRP 5 HD1 TRP 5 -0.391 4.068 -4.503 36 HE1 TRP 5 HE1 TRP 5 -0.920 5.396 -2.362 37 HE3 TRP 5 HE3 TRP 5 -3.679 7.466 -6.447 38 HZ2 TRP 5 HZ2 TRP 5 -2.519 7.593 -1.599 39 HZ3 TRP 5 HZ3 TRP 5 -4.663 9.147 -4.945 40 HH2 TRP 5 HH2 TRP 5 -4.095 9.208 -2.571 41 H LYS 6 H LYS 6 -2.758 1.980 -8.885 42 HA LYS 6 HA LYS 6 -4.173 3.702 -10.814 43 HB2 LYS 6 2HB LYS 6 -3.150 2.291 -12.582 44 HB3 LYS 6 3HB LYS 6 -1.962 3.165 -11.624 45 HG2 LYS 6 2HG LYS 6 -0.912 1.232 -11.355 46 HG3 LYS 6 3HG LYS 6 -2.247 0.738 -10.312 47 HD2 LYS 6 2HD LYS 6 -3.306 -0.441 -12.019 48 HD3 LYS 6 3HD LYS 6 -2.430 0.421 -13.287 49 HE2 LYS 6 2HE LYS 6 -0.331 -0.683 -12.336 50 HE3 LYS 6 3HE LYS 6 -1.431 -1.739 -11.453 51 HZ1 LYS 6 3HZ LYS 6 -0.568 -2.002 -14.080 52 HZ2 LYS 6 1HZ LYS 6 -2.215 -1.619 -14.154 53 HZ3 LYS 6 2HZ LYS 6 -1.698 -2.960 -13.263 54 H ARG 7 H ARG 7 -5.138 1.768 -8.672 55 HA ARG 7 HA ARG 7 -6.794 0.093 -10.443 56 HB2 ARG 7 2HB ARG 7 -5.818 -0.499 -7.644 57 HB3 ARG 7 3HB ARG 7 -6.996 -1.476 -8.510 58 HG2 ARG 7 2HG ARG 7 -4.130 -1.002 -9.298 59 HG3 ARG 7 3HG ARG 7 -4.820 -2.494 -8.655 60 HD2 ARG 7 2HD ARG 7 -6.319 -2.577 -10.642 61 HD3 ARG 7 3HD ARG 7 -5.458 -1.184 -11.294 62 HE ARG 7 HE ARG 7 -3.718 -2.564 -11.865 63 HH11 ARG 7 1HH1 ARG 7 -5.847 -4.235 -9.675 64 HH12 ARG 7 2HH1 ARG 7 -5.064 -5.768 -9.878 65 HH21 ARG 7 1HH2 ARG 7 -2.680 -4.576 -12.140 66 HH22 ARG 7 2HH2 ARG 7 -3.262 -5.960 -11.279 67 H LYS 8 H LYS 8 -7.017 0.870 -6.988 68 HA LYS 8 HA LYS 8 -9.781 1.748 -7.440 69 HB2 LYS 8 2HB LYS 8 -10.130 1.353 -5.061 70 HB3 LYS 8 3HB LYS 8 -9.455 -0.079 -5.827 71 HG2 LYS 8 2HG LYS 8 -7.358 1.612 -4.818 72 HG3 LYS 8 3HG LYS 8 -8.521 1.225 -3.548 73 HD2 LYS 8 2HD LYS 8 -7.765 -1.044 -5.251 74 HD3 LYS 8 3HD LYS 8 -6.444 -0.370 -4.295 75 HE2 LYS 8 2HE LYS 8 -7.458 -2.082 -2.991 76 HE3 LYS 8 3HE LYS 8 -7.936 -0.538 -2.287 77 HZ1 LYS 8 3HZ LYS 8 -9.694 -2.382 -2.687 78 HZ2 LYS 8 1HZ LYS 8 -9.680 -1.813 -4.280 79 HZ3 LYS 8 2HZ LYS 8 -10.084 -0.769 -3.012 80 H CYS 9 H CYS 9 -7.002 3.216 -7.554 81 HA CYS 9 HA CYS 9 -7.889 5.545 -5.981 82 HB2 CYS 9 2HB CYS 9 -5.020 4.932 -6.691 83 HB3 CYS 9 3HB CYS 9 -5.616 6.133 -5.552 84 HG CYS 9 HG CYS 9 -4.327 3.845 -4.326 85 HA PRO 10 HA PRO 10 -7.951 6.758 -10.429 86 HB2 PRO 10 2HB PRO 10 -10.175 8.298 -10.199 87 HB3 PRO 10 3HB PRO 10 -10.239 6.554 -10.475 88 HG2 PRO 10 2HG PRO 10 -10.558 8.080 -7.920 89 HG3 PRO 10 3HG PRO 10 -11.496 6.702 -8.524 90 HD2 PRO 10 2HD PRO 10 -9.544 6.433 -6.667 91 HD3 PRO 10 3HD PRO 10 -9.910 5.169 -7.858 92 H LEU 11 H LEU 11 -7.534 8.301 -7.451 93 HA LEU 11 HA LEU 11 -7.537 11.014 -8.191 94 HB2 LEU 11 2HB LEU 11 -6.352 9.419 -5.980 95 HB3 LEU 11 3HB LEU 11 -5.767 11.063 -6.224 96 HG LEU 11 HG LEU 11 -8.483 11.411 -6.218 97 HD11 LEU 11 1HD1 LEU 11 -9.497 10.118 -4.572 98 HD12 LEU 11 2HD1 LEU 11 -7.957 9.523 -3.953 99 HD13 LEU 11 3HD1 LEU 11 -8.566 8.944 -5.503 100 HD21 LEU 11 3HD2 LEU 11 -6.694 11.490 -3.793 101 HD22 LEU 11 1HD2 LEU 11 -8.154 12.438 -4.078 102 HD23 LEU 11 2HD2 LEU 11 -6.714 12.721 -5.057 103 H PHE 12 H PHE 12 -4.912 8.624 -8.078 104 HA PHE 12 HA PHE 12 -3.312 10.440 -9.759 105 HB2 PHE 12 2HB PHE 12 -2.440 8.551 -7.575 106 HB3 PHE 12 3HB PHE 12 -1.316 9.197 -8.766 107 HD1 PHE 12 HD1 PHE 12 -3.900 10.356 -6.343 108 HD2 PHE 12 HD2 PHE 12 -0.191 11.141 -8.277 109 HE1 PHE 12 HE1 PHE 12 -3.615 12.376 -4.968 110 HE2 PHE 12 HE2 PHE 12 0.101 13.162 -6.905 111 HZ PHE 12 HZ PHE 12 -1.612 13.782 -5.247 112 H GLY 13 H GLY 13 -3.955 9.590 -11.724 113 HA2 GLY 13 2HA GLY 13 -3.399 6.727 -12.160 114 HA3 GLY 13 3HA GLY 13 -4.498 7.696 -13.130 115 H LYS 14 H LYS 14 -1.301 8.735 -12.114 116 HA LYS 14 HA LYS 14 -0.511 9.613 -14.632 117 HB2 LYS 14 2HB LYS 14 0.683 9.332 -12.021 118 HB3 LYS 14 3HB LYS 14 1.842 8.890 -13.268 119 HG2 LYS 14 2HG LYS 14 2.007 11.248 -12.681 120 HG3 LYS 14 3HG LYS 14 1.516 11.034 -14.362 121 HD2 LYS 14 2HD LYS 14 -0.322 12.233 -14.005 122 HD3 LYS 14 3HD LYS 14 -0.816 11.134 -12.715 123 HE2 LYS 14 2HE LYS 14 0.018 12.473 -11.070 124 HE3 LYS 14 3HE LYS 14 1.304 13.112 -12.091 125 HZ1 LYS 14 3HZ LYS 14 -1.487 13.816 -12.684 126 HZ2 LYS 14 1HZ LYS 14 -0.072 14.689 -12.993 127 HZ3 LYS 14 2HZ LYS 14 -0.688 14.608 -11.421 128 H GLY 15 H GLY 15 -0.358 8.396 -16.403 129 HA2 GLY 15 2HA GLY 15 0.598 5.634 -16.168 130 HA3 GLY 15 3HA GLY 15 -0.225 6.327 -17.558 131 H GLY 16 H GLY 16 0.947 7.428 -19.119 132 HA2 GLY 16 2HA GLY 16 3.864 7.050 -18.916 133 HA3 GLY 16 3HA GLY 16 2.957 7.090 -20.420 Start of MODEL 7 1 H1 VAL 1 H VAL 1 -1.989 -3.697 -2.269 2 HA VAL 1 HA VAL 1 0.434 -3.193 -0.736 3 HB VAL 1 HB VAL 1 1.795 -2.957 -2.823 4 HG11 VAL 1 1HG1 VAL 1 0.797 -5.540 -1.751 5 HG12 VAL 1 2HG1 VAL 1 1.811 -5.581 -3.195 6 HG13 VAL 1 3HG1 VAL 1 2.418 -4.847 -1.709 7 HG21 VAL 1 3HG2 VAL 1 0.030 -2.779 -4.458 8 HG22 VAL 1 1HG2 VAL 1 1.019 -4.193 -4.825 9 HG23 VAL 1 2HG2 VAL 1 -0.555 -4.393 -4.054 10 H ALA 2 H ALA 2 1.358 -1.089 -1.152 11 HA ALA 2 HA ALA 2 -0.687 0.828 -1.985 12 HB1 ALA 2 1HB ALA 2 0.586 2.485 -0.783 13 HB2 ALA 2 2HB ALA 2 0.354 1.070 0.244 14 HB3 ALA 2 3HB ALA 2 1.909 1.344 -0.542 15 H ARG 3 H ARG 3 0.986 -0.746 -3.877 16 HA ARG 3 HA ARG 3 2.573 1.375 -5.132 17 HB2 ARG 3 2HB ARG 3 2.554 -1.604 -5.301 18 HB3 ARG 3 3HB ARG 3 3.102 -0.696 -6.704 19 HG2 ARG 3 2HG ARG 3 4.229 -0.266 -3.954 20 HG3 ARG 3 3HG ARG 3 4.883 -1.451 -5.086 21 HD2 ARG 3 2HD ARG 3 5.239 0.354 -6.726 22 HD3 ARG 3 3HD ARG 3 4.642 1.521 -5.546 23 HE ARG 3 HE ARG 3 6.715 0.147 -4.328 24 HH11 ARG 3 1HH1 ARG 3 6.275 2.224 -7.088 25 HH12 ARG 3 2HH1 ARG 3 7.883 2.866 -7.025 26 HH21 ARG 3 1HH2 ARG 3 8.834 0.985 -4.236 27 HH22 ARG 3 2HH2 ARG 3 9.338 2.159 -5.403 28 H GLY 4 H GLY 4 -0.254 -0.633 -5.601 29 HA2 GLY 4 2HA GLY 4 -0.632 0.122 -8.353 30 HA3 GLY 4 3HA GLY 4 -1.769 -0.761 -7.346 31 H TRP 5 H TRP 5 -0.765 2.349 -8.493 32 HA TRP 5 HA TRP 5 -2.821 3.707 -6.921 33 HB2 TRP 5 2HB TRP 5 -0.419 4.562 -8.446 34 HB3 TRP 5 3HB TRP 5 -1.768 5.693 -8.389 35 HD1 TRP 5 HD1 TRP 5 0.635 3.833 -6.005 36 HE1 TRP 5 HE1 TRP 5 0.817 5.195 -3.829 37 HE3 TRP 5 HE3 TRP 5 -2.856 7.432 -7.005 38 HZ2 TRP 5 HZ2 TRP 5 -0.363 7.491 -2.687 39 HZ3 TRP 5 HZ3 TRP 5 -3.270 9.174 -5.318 40 HH2 TRP 5 HH2 TRP 5 -2.049 9.201 -3.204 41 H LYS 6 H LYS 6 -2.981 1.890 -9.503 42 HA LYS 6 HA LYS 6 -4.786 3.690 -10.983 43 HB2 LYS 6 2HB LYS 6 -3.503 1.199 -12.097 44 HB3 LYS 6 3HB LYS 6 -4.309 2.488 -12.981 45 HG2 LYS 6 2HG LYS 6 -2.263 3.273 -13.367 46 HG3 LYS 6 3HG LYS 6 -2.297 3.826 -11.691 47 HD2 LYS 6 2HD LYS 6 -1.042 2.010 -10.940 48 HD3 LYS 6 3HD LYS 6 -1.405 1.046 -12.373 49 HE2 LYS 6 2HE LYS 6 -0.137 3.184 -13.473 50 HE3 LYS 6 3HE LYS 6 0.690 3.056 -11.921 51 HZ1 LYS 6 3HZ LYS 6 0.406 0.494 -13.069 52 HZ2 LYS 6 1HZ LYS 6 1.824 1.326 -12.669 53 HZ3 LYS 6 2HZ LYS 6 1.124 1.533 -14.195 54 H ARG 7 H ARG 7 -5.220 1.835 -8.613 55 HA ARG 7 HA ARG 7 -7.406 0.257 -9.805 56 HB2 ARG 7 2HB ARG 7 -5.368 -0.443 -7.779 57 HB3 ARG 7 3HB ARG 7 -7.005 -0.988 -7.439 58 HG2 ARG 7 2HG ARG 7 -6.819 -2.650 -8.890 59 HG3 ARG 7 3HG ARG 7 -6.315 -1.545 -10.171 60 HD2 ARG 7 2HD ARG 7 -4.048 -1.623 -8.756 61 HD3 ARG 7 3HD ARG 7 -4.690 -3.211 -8.341 62 HE ARG 7 HE ARG 7 -4.866 -2.904 -11.110 63 HH11 ARG 7 1HH1 ARG 7 -2.432 -3.172 -8.635 64 HH12 ARG 7 2HH1 ARG 7 -1.262 -3.903 -9.683 65 HH21 ARG 7 1HH2 ARG 7 -3.334 -3.865 -12.499 66 HH22 ARG 7 2HH2 ARG 7 -1.775 -4.295 -11.881 67 H LYS 8 H LYS 8 -6.606 1.046 -6.441 68 HA LYS 8 HA LYS 8 -9.322 2.111 -6.122 69 HB2 LYS 8 2HB LYS 8 -8.963 1.778 -3.709 70 HB3 LYS 8 3HB LYS 8 -8.745 0.288 -4.618 71 HG2 LYS 8 2HG LYS 8 -6.252 1.717 -4.329 72 HG3 LYS 8 3HG LYS 8 -6.999 1.386 -2.764 73 HD2 LYS 8 2HD LYS 8 -7.320 -1.005 -3.659 74 HD3 LYS 8 3HD LYS 8 -6.137 -0.551 -4.889 75 HE2 LYS 8 2HE LYS 8 -4.489 -0.079 -3.210 76 HE3 LYS 8 3HE LYS 8 -5.671 -0.302 -1.921 77 HZ1 LYS 8 3HZ LYS 8 -5.761 -2.640 -3.320 78 HZ2 LYS 8 1HZ LYS 8 -4.957 -2.391 -1.852 79 HZ3 LYS 8 2HZ LYS 8 -4.114 -2.254 -3.312 80 H CYS 9 H CYS 9 -6.606 3.394 -7.039 81 HA CYS 9 HA CYS 9 -6.859 5.772 -5.317 82 HB2 CYS 9 2HB CYS 9 -4.357 4.976 -6.805 83 HB3 CYS 9 3HB CYS 9 -4.525 6.209 -5.562 84 HG CYS 9 HG CYS 9 -5.480 3.712 -3.943 85 HA PRO 10 HA PRO 10 -8.108 6.995 -9.585 86 HB2 PRO 10 2HB PRO 10 -10.079 8.669 -8.759 87 HB3 PRO 10 3HB PRO 10 -10.324 6.933 -8.979 88 HG2 PRO 10 2HG PRO 10 -9.814 8.470 -6.461 89 HG3 PRO 10 3HG PRO 10 -10.965 7.154 -6.755 90 HD2 PRO 10 2HD PRO 10 -8.587 6.760 -5.521 91 HD3 PRO 10 3HD PRO 10 -9.350 5.524 -6.541 92 H LEU 11 H LEU 11 -6.774 8.502 -6.870 93 HA LEU 11 HA LEU 11 -6.824 11.212 -7.614 94 HB2 LEU 11 2HB LEU 11 -5.176 9.533 -5.806 95 HB3 LEU 11 3HB LEU 11 -4.545 11.118 -6.248 96 HG LEU 11 HG LEU 11 -7.310 10.843 -5.129 97 HD11 LEU 11 1HD1 LEU 11 -4.785 11.092 -3.502 98 HD12 LEU 11 2HD1 LEU 11 -5.798 9.652 -3.597 99 HD13 LEU 11 3HD1 LEU 11 -6.439 11.135 -2.892 100 HD21 LEU 11 3HD2 LEU 11 -5.274 13.001 -5.466 101 HD22 LEU 11 1HD2 LEU 11 -6.479 13.125 -4.185 102 HD23 LEU 11 2HD2 LEU 11 -6.992 13.003 -5.868 103 H PHE 12 H PHE 12 -4.432 8.664 -8.240 104 HA PHE 12 HA PHE 12 -3.275 10.392 -10.328 105 HB2 PHE 12 2HB PHE 12 -1.935 8.442 -8.460 106 HB3 PHE 12 3HB PHE 12 -1.163 8.998 -9.942 107 HD1 PHE 12 HD1 PHE 12 -2.819 10.334 -6.883 108 HD2 PHE 12 HD2 PHE 12 0.168 10.873 -9.867 109 HE1 PHE 12 HE1 PHE 12 -2.004 12.332 -5.701 110 HE2 PHE 12 HE2 PHE 12 0.989 12.871 -8.689 111 HZ PHE 12 HZ PHE 12 -0.097 13.603 -6.603 112 H GLY 13 H GLY 13 -4.044 9.681 -12.217 113 HA2 GLY 13 2HA GLY 13 -4.252 6.771 -12.637 114 HA3 GLY 13 3HA GLY 13 -5.152 7.987 -13.532 115 H LYS 14 H LYS 14 -4.072 9.218 -15.140 116 HA LYS 14 HA LYS 14 -2.155 7.714 -16.613 117 HB2 LYS 14 2HB LYS 14 -3.737 9.011 -17.843 118 HB3 LYS 14 3HB LYS 14 -3.306 10.479 -16.975 119 HG2 LYS 14 2HG LYS 14 -1.008 9.338 -18.294 120 HG3 LYS 14 3HG LYS 14 -2.325 9.633 -19.431 121 HD2 LYS 14 2HD LYS 14 -2.109 11.862 -19.278 122 HD3 LYS 14 3HD LYS 14 -1.892 11.813 -17.527 123 HE2 LYS 14 2HE LYS 14 0.394 10.669 -18.824 124 HE3 LYS 14 3HE LYS 14 0.060 12.260 -19.505 125 HZ1 LYS 14 3HZ LYS 14 -0.189 12.358 -16.698 126 HZ2 LYS 14 1HZ LYS 14 0.886 13.201 -17.697 127 HZ3 LYS 14 2HZ LYS 14 1.308 11.677 -17.096 128 H GLY 15 H GLY 15 -1.985 10.456 -14.440 129 HA2 GLY 15 2HA GLY 15 0.562 11.418 -15.073 130 HA3 GLY 15 3HA GLY 15 -0.199 11.540 -13.493 131 H GLY 16 H GLY 16 -0.297 9.131 -12.465 132 HA2 GLY 16 2HA GLY 16 2.357 8.561 -11.730 133 HA3 GLY 16 3HA GLY 16 0.963 7.550 -11.380 Start of MODEL 8 1 H1 VAL 1 H VAL 1 1.101 -0.478 2.375 2 HA VAL 1 HA VAL 1 2.714 -0.524 0.760 3 HB VAL 1 HB VAL 1 0.817 -2.199 -0.886 4 HG11 VAL 1 1HG1 VAL 1 3.250 -3.051 -1.566 5 HG12 VAL 1 2HG1 VAL 1 2.455 -1.702 -2.380 6 HG13 VAL 1 3HG1 VAL 1 3.657 -1.393 -1.126 7 HG21 VAL 1 3HG2 VAL 1 2.655 -3.928 0.165 8 HG22 VAL 1 1HG2 VAL 1 2.356 -2.836 1.517 9 HG23 VAL 1 2HG2 VAL 1 1.014 -3.700 0.768 10 H ALA 2 H ALA 2 3.276 0.663 -1.080 11 HA ALA 2 HA ALA 2 1.073 2.216 -2.277 12 HB1 ALA 2 1HB ALA 2 3.843 3.317 -2.044 13 HB2 ALA 2 2HB ALA 2 2.305 4.170 -2.184 14 HB3 ALA 2 3HB ALA 2 2.741 3.382 -0.667 15 H ARG 3 H ARG 3 1.453 0.050 -3.631 16 HA ARG 3 HA ARG 3 3.304 0.736 -5.820 17 HB2 ARG 3 2HB ARG 3 2.500 -1.918 -4.666 18 HB3 ARG 3 3HB ARG 3 3.087 -1.801 -6.320 19 HG2 ARG 3 2HG ARG 3 5.210 -1.102 -5.642 20 HG3 ARG 3 3HG ARG 3 4.649 -0.678 -4.023 21 HD2 ARG 3 2HD ARG 3 5.637 -2.667 -3.539 22 HD3 ARG 3 3HD ARG 3 4.037 -3.261 -3.981 23 HE ARG 3 HE ARG 3 4.964 -4.280 -5.804 24 HH11 ARG 3 1HH1 ARG 3 7.187 -1.892 -4.592 25 HH12 ARG 3 2HH1 ARG 3 8.473 -2.360 -5.654 26 HH21 ARG 3 1HH2 ARG 3 6.649 -4.907 -7.208 27 HH22 ARG 3 2HH2 ARG 3 8.166 -4.075 -7.142 28 H GLY 4 H GLY 4 0.074 -0.221 -4.919 29 HA2 GLY 4 2HA GLY 4 -0.738 -0.295 -7.743 30 HA3 GLY 4 3HA GLY 4 -1.685 -0.894 -6.389 31 H TRP 5 H TRP 5 -0.394 2.099 -7.796 32 HA TRP 5 HA TRP 5 -2.695 3.531 -6.646 33 HB2 TRP 5 2HB TRP 5 0.129 4.301 -7.154 34 HB3 TRP 5 3HB TRP 5 -1.092 5.543 -7.415 35 HD1 TRP 5 HD1 TRP 5 0.239 3.246 -4.612 36 HE1 TRP 5 HE1 TRP 5 -0.269 4.365 -2.350 37 HE3 TRP 5 HE3 TRP 5 -2.502 7.228 -6.274 38 HZ2 TRP 5 HZ2 TRP 5 -1.651 6.634 -1.397 39 HZ3 TRP 5 HZ3 TRP 5 -3.381 8.826 -4.622 40 HH2 TRP 5 HH2 TRP 5 -2.964 8.534 -2.235 41 H LYS 6 H LYS 6 -2.059 1.999 -9.335 42 HA LYS 6 HA LYS 6 -3.145 4.097 -11.098 43 HB2 LYS 6 2HB LYS 6 -2.136 2.920 -12.974 44 HB3 LYS 6 3HB LYS 6 -0.912 3.309 -11.773 45 HG2 LYS 6 2HG LYS 6 -2.103 0.683 -11.375 46 HG3 LYS 6 3HG LYS 6 -1.306 0.860 -12.940 47 HD2 LYS 6 2HD LYS 6 -0.002 1.634 -10.338 48 HD3 LYS 6 3HD LYS 6 0.142 0.022 -11.042 49 HE2 LYS 6 2HE LYS 6 1.100 1.006 -13.074 50 HE3 LYS 6 3HE LYS 6 0.965 2.611 -12.357 51 HZ1 LYS 6 3HZ LYS 6 3.193 1.325 -12.229 52 HZ2 LYS 6 1HZ LYS 6 2.459 0.513 -10.938 53 HZ3 LYS 6 2HZ LYS 6 2.654 2.192 -10.880 54 H ARG 7 H ARG 7 -4.459 2.054 -9.266 55 HA ARG 7 HA ARG 7 -6.179 0.813 -11.313 56 HB2 ARG 7 2HB ARG 7 -5.457 -0.221 -8.566 57 HB3 ARG 7 3HB ARG 7 -6.681 -0.938 -9.604 58 HG2 ARG 7 2HG ARG 7 -3.735 -0.725 -10.185 59 HG3 ARG 7 3HG ARG 7 -4.631 -2.187 -9.769 60 HD2 ARG 7 2HD ARG 7 -6.001 -1.851 -11.822 61 HD3 ARG 7 3HD ARG 7 -4.944 -0.507 -12.251 62 HE ARG 7 HE ARG 7 -3.465 -2.890 -11.771 63 HH11 ARG 7 1HH1 ARG 7 -5.453 -1.269 -14.126 64 HH12 ARG 7 2HH1 ARG 7 -4.733 -2.076 -15.480 65 HH21 ARG 7 1HH2 ARG 7 -2.511 -3.959 -13.546 66 HH22 ARG 7 2HH2 ARG 7 -3.061 -3.606 -15.149 67 H LYS 8 H LYS 8 -6.532 1.195 -7.803 68 HA LYS 8 HA LYS 8 -9.142 2.451 -8.278 69 HB2 LYS 8 2HB LYS 8 -9.622 1.862 -5.923 70 HB3 LYS 8 3HB LYS 8 -9.227 0.457 -6.904 71 HG2 LYS 8 2HG LYS 8 -7.765 -0.100 -5.335 72 HG3 LYS 8 3HG LYS 8 -6.789 1.274 -5.862 73 HD2 LYS 8 2HD LYS 8 -7.018 1.698 -3.604 74 HD3 LYS 8 3HD LYS 8 -8.353 2.634 -4.280 75 HE2 LYS 8 2HE LYS 8 -9.785 1.491 -3.028 76 HE3 LYS 8 3HE LYS 8 -9.287 -0.003 -3.820 77 HZ1 LYS 8 3HZ LYS 8 -7.642 -0.373 -2.186 78 HZ2 LYS 8 1HZ LYS 8 -9.052 0.035 -1.344 79 HZ3 LYS 8 2HZ LYS 8 -7.819 1.177 -1.531 80 H CYS 9 H CYS 9 -6.213 3.573 -8.068 81 HA CYS 9 HA CYS 9 -6.926 5.786 -6.257 82 HB2 CYS 9 2HB CYS 9 -4.107 4.918 -6.900 83 HB3 CYS 9 3HB CYS 9 -4.631 6.039 -5.648 84 HG CYS 9 HG CYS 9 -5.308 4.276 -3.824 85 HA PRO 10 HA PRO 10 -6.569 7.525 -10.513 86 HB2 PRO 10 2HB PRO 10 -8.611 9.285 -10.195 87 HB3 PRO 10 3HB PRO 10 -8.858 7.608 -10.694 88 HG2 PRO 10 2HG PRO 10 -9.159 8.842 -7.983 89 HG3 PRO 10 3HG PRO 10 -10.209 7.672 -8.802 90 HD2 PRO 10 2HD PRO 10 -8.421 6.945 -6.903 91 HD3 PRO 10 3HD PRO 10 -8.854 5.887 -8.261 92 H LEU 11 H LEU 11 -6.166 8.636 -7.346 93 HA LEU 11 HA LEU 11 -5.812 11.398 -7.731 94 HB2 LEU 11 2HB LEU 11 -4.967 9.412 -5.691 95 HB3 LEU 11 3HB LEU 11 -4.160 10.979 -5.699 96 HG LEU 11 HG LEU 11 -7.117 11.026 -5.727 97 HD11 LEU 11 1HD1 LEU 11 -5.528 10.119 -3.334 98 HD12 LEU 11 2HD1 LEU 11 -6.804 9.232 -4.166 99 HD13 LEU 11 3HD1 LEU 11 -7.192 10.699 -3.268 100 HD21 LEU 11 3HD2 LEU 11 -6.150 13.129 -5.608 101 HD22 LEU 11 1HD2 LEU 11 -4.864 12.590 -4.528 102 HD23 LEU 11 2HD2 LEU 11 -6.509 12.775 -3.917 103 H PHE 12 H PHE 12 -3.489 8.713 -7.809 104 HA PHE 12 HA PHE 12 -1.594 10.515 -9.169 105 HB2 PHE 12 2HB PHE 12 -1.086 8.294 -7.195 106 HB3 PHE 12 3HB PHE 12 0.178 8.905 -8.258 107 HD1 PHE 12 HD1 PHE 12 -2.332 10.081 -5.772 108 HD2 PHE 12 HD2 PHE 12 1.484 10.672 -7.562 109 HE1 PHE 12 HE1 PHE 12 -1.863 11.886 -4.167 110 HE2 PHE 12 HE2 PHE 12 1.959 12.478 -5.959 111 HZ PHE 12 HZ PHE 12 0.285 13.086 -4.259 112 H GLY 13 H GLY 13 -3.669 8.898 -10.393 113 HA2 GLY 13 2HA GLY 13 -2.379 6.583 -11.538 114 HA3 GLY 13 3HA GLY 13 -3.967 7.209 -11.956 115 H LYS 14 H LYS 14 -4.086 9.031 -13.411 116 HA LYS 14 HA LYS 14 -2.333 8.756 -15.620 117 HB2 LYS 14 2HB LYS 14 -4.802 10.103 -15.031 118 HB3 LYS 14 3HB LYS 14 -3.713 11.211 -15.854 119 HG2 LYS 14 2HG LYS 14 -4.967 10.173 -17.544 120 HG3 LYS 14 3HG LYS 14 -3.384 9.393 -17.582 121 HD2 LYS 14 2HD LYS 14 -4.193 7.406 -16.803 122 HD3 LYS 14 3HD LYS 14 -5.482 8.172 -15.871 123 HE2 LYS 14 2HE LYS 14 -6.087 8.766 -18.516 124 HE3 LYS 14 3HE LYS 14 -5.523 7.097 -18.561 125 HZ1 LYS 14 3HZ LYS 14 -7.230 6.389 -17.225 126 HZ2 LYS 14 1HZ LYS 14 -8.006 7.615 -18.095 127 HZ3 LYS 14 2HZ LYS 14 -7.474 7.906 -16.516 128 H GLY 15 H GLY 15 -0.272 9.396 -15.527 129 HA2 GLY 15 2HA GLY 15 0.621 11.542 -13.860 130 HA3 GLY 15 3HA GLY 15 1.592 10.659 -15.028 131 H GLY 16 H GLY 16 0.386 11.158 -17.397 132 HA2 GLY 16 2HA GLY 16 -0.631 13.455 -18.226 133 HA3 GLY 16 3HA GLY 16 0.964 14.002 -17.730 Start of MODEL 9 1 H1 VAL 1 H VAL 1 -0.036 -3.538 -0.051 2 HA VAL 1 HA VAL 1 -0.047 -1.051 1.469 3 HB VAL 1 HB VAL 1 2.137 -0.359 0.440 4 HG11 VAL 1 1HG1 VAL 1 2.974 -0.794 2.449 5 HG12 VAL 1 2HG1 VAL 1 1.618 -1.884 2.746 6 HG13 VAL 1 3HG1 VAL 1 3.118 -2.507 2.057 7 HG21 VAL 1 3HG2 VAL 1 2.281 -3.302 -0.195 8 HG22 VAL 1 1HG2 VAL 1 2.340 -1.954 -1.331 9 HG23 VAL 1 2HG2 VAL 1 3.673 -2.220 -0.208 10 H ALA 2 H ALA 2 0.291 0.858 -0.033 11 HA ALA 2 HA ALA 2 -1.289 0.393 -2.448 12 HB1 ALA 2 1HB ALA 2 -0.497 3.056 -1.294 13 HB2 ALA 2 2HB ALA 2 -1.805 2.702 -2.424 14 HB3 ALA 2 3HB ALA 2 -1.912 2.154 -0.752 15 H ARG 3 H ARG 3 1.091 -0.642 -2.921 16 HA ARG 3 HA ARG 3 3.104 1.114 -3.823 17 HB2 ARG 3 2HB ARG 3 3.981 -0.868 -5.037 18 HB3 ARG 3 3HB ARG 3 3.624 -1.193 -3.346 19 HG2 ARG 3 2HG ARG 3 1.303 -1.957 -4.378 20 HG3 ARG 3 3HG ARG 3 2.318 -2.221 -5.797 21 HD2 ARG 3 2HD ARG 3 3.738 -3.260 -3.608 22 HD3 ARG 3 3HD ARG 3 2.072 -3.801 -3.413 23 HE ARG 3 HE ARG 3 3.945 -4.702 -5.361 24 HH11 ARG 3 1HH1 ARG 3 0.560 -4.106 -4.803 25 HH12 ARG 3 2HH1 ARG 3 0.029 -5.271 -5.970 26 HH21 ARG 3 1HH2 ARG 3 3.258 -6.238 -6.901 27 HH22 ARG 3 2HH2 ARG 3 1.564 -6.484 -7.162 28 H GLY 4 H GLY 4 0.231 -0.189 -5.340 29 HA2 GLY 4 2HA GLY 4 1.014 0.859 -7.951 30 HA3 GLY 4 3HA GLY 4 -0.417 -0.099 -7.601 31 H TRP 5 H TRP 5 0.892 3.058 -7.914 32 HA TRP 5 HA TRP 5 -1.523 4.325 -6.871 33 HB2 TRP 5 2HB TRP 5 1.218 5.252 -7.576 34 HB3 TRP 5 3HB TRP 5 -0.096 6.417 -7.717 35 HD1 TRP 5 HD1 TRP 5 1.706 4.263 -5.087 36 HE1 TRP 5 HE1 TRP 5 1.278 5.291 -2.767 37 HE3 TRP 5 HE3 TRP 5 -1.651 7.883 -6.412 38 HZ2 TRP 5 HZ2 TRP 5 -0.279 7.363 -1.647 39 HZ3 TRP 5 HZ3 TRP 5 -2.563 9.346 -4.656 40 HH2 TRP 5 HH2 TRP 5 -1.890 9.089 -2.323 41 H LYS 6 H LYS 6 -0.957 2.792 -9.574 42 HA LYS 6 HA LYS 6 -2.269 4.801 -11.287 43 HB2 LYS 6 2HB LYS 6 -1.297 3.612 -13.215 44 HB3 LYS 6 3HB LYS 6 -0.060 4.235 -12.131 45 HG2 LYS 6 2HG LYS 6 0.802 2.175 -12.407 46 HG3 LYS 6 3HG LYS 6 -0.333 1.770 -11.117 47 HD2 LYS 6 2HD LYS 6 -1.761 0.679 -12.531 48 HD3 LYS 6 3HD LYS 6 -1.314 1.670 -13.922 49 HE2 LYS 6 2HE LYS 6 1.000 0.464 -13.628 50 HE3 LYS 6 3HE LYS 6 0.026 -0.743 -12.791 51 HZ1 LYS 6 3HZ LYS 6 -0.942 0.178 -15.384 52 HZ2 LYS 6 1HZ LYS 6 -1.006 -1.364 -14.690 53 HZ3 LYS 6 2HZ LYS 6 0.431 -0.810 -15.389 54 H ARG 7 H ARG 7 -3.326 2.671 -9.387 55 HA ARG 7 HA ARG 7 -5.055 1.298 -11.339 56 HB2 ARG 7 2HB ARG 7 -3.842 0.335 -8.772 57 HB3 ARG 7 3HB ARG 7 -5.358 -0.354 -9.337 58 HG2 ARG 7 2HG ARG 7 -4.367 -1.518 -10.981 59 HG3 ARG 7 3HG ARG 7 -3.224 -0.226 -11.349 60 HD2 ARG 7 2HD ARG 7 -1.632 -1.257 -10.194 61 HD3 ARG 7 3HD ARG 7 -2.652 -1.280 -8.756 62 HE ARG 7 HE ARG 7 -3.533 -3.336 -10.386 63 HH11 ARG 7 1HH1 ARG 7 -0.614 -2.457 -8.705 64 HH12 ARG 7 2HH1 ARG 7 -0.103 -4.095 -8.466 65 HH21 ARG 7 1HH2 ARG 7 -2.871 -5.497 -10.078 66 HH22 ARG 7 2HH2 ARG 7 -1.387 -5.823 -9.248 67 H LYS 8 H LYS 8 -5.255 1.646 -7.815 68 HA LYS 8 HA LYS 8 -7.975 2.692 -8.144 69 HB2 LYS 8 2HB LYS 8 -6.702 1.730 -5.585 70 HB3 LYS 8 3HB LYS 8 -8.414 1.962 -5.916 71 HG2 LYS 8 2HG LYS 8 -8.504 -0.207 -6.363 72 HG3 LYS 8 3HG LYS 8 -7.602 0.145 -7.839 73 HD2 LYS 8 2HD LYS 8 -5.549 -0.424 -6.848 74 HD3 LYS 8 3HD LYS 8 -6.218 -0.344 -5.217 75 HE2 LYS 8 2HE LYS 8 -7.792 -2.251 -6.294 76 HE3 LYS 8 3HE LYS 8 -6.309 -2.519 -7.207 77 HZ1 LYS 8 3HZ LYS 8 -5.718 -2.167 -4.464 78 HZ2 LYS 8 1HZ LYS 8 -5.400 -3.498 -5.459 79 HZ3 LYS 8 2HZ LYS 8 -6.878 -3.385 -4.644 80 H CYS 9 H CYS 9 -5.116 4.034 -8.081 81 HA CYS 9 HA CYS 9 -5.924 6.222 -6.280 82 HB2 CYS 9 2HB CYS 9 -3.072 5.574 -7.016 83 HB3 CYS 9 3HB CYS 9 -3.644 6.646 -5.743 84 HG CYS 9 HG CYS 9 -2.460 4.171 -4.802 85 HA PRO 10 HA PRO 10 -5.849 7.901 -10.574 86 HB2 PRO 10 2HB PRO 10 -8.010 9.504 -10.215 87 HB3 PRO 10 3HB PRO 10 -8.142 7.803 -10.678 88 HG2 PRO 10 2HG PRO 10 -8.448 9.061 -7.979 89 HG3 PRO 10 3HG PRO 10 -9.431 7.798 -8.742 90 HD2 PRO 10 2HD PRO 10 -7.530 7.247 -6.894 91 HD3 PRO 10 3HD PRO 10 -7.924 6.134 -8.220 92 H LEU 11 H LEU 11 -5.426 9.097 -7.442 93 HA LEU 11 HA LEU 11 -5.286 11.875 -7.914 94 HB2 LEU 11 2HB LEU 11 -3.958 10.126 -5.854 95 HB3 LEU 11 3HB LEU 11 -3.855 11.886 -5.850 96 HG LEU 11 HG LEU 11 -6.606 11.091 -5.969 97 HD11 LEU 11 1HD1 LEU 11 -6.900 9.757 -4.101 98 HD12 LEU 11 2HD1 LEU 11 -5.284 10.091 -3.480 99 HD13 LEU 11 3HD1 LEU 11 -5.490 9.031 -4.874 100 HD21 LEU 11 3HD2 LEU 11 -5.033 12.405 -3.757 101 HD22 LEU 11 1HD2 LEU 11 -6.774 12.493 -4.022 102 HD23 LEU 11 2HD2 LEU 11 -5.668 13.244 -5.173 103 H PHE 12 H PHE 12 -2.815 9.331 -7.979 104 HA PHE 12 HA PHE 12 -1.031 11.225 -9.363 105 HB2 PHE 12 2HB PHE 12 -0.350 8.998 -7.440 106 HB3 PHE 12 3HB PHE 12 0.848 9.789 -8.458 107 HD1 PHE 12 HD1 PHE 12 -1.823 10.630 -5.998 108 HD2 PHE 12 HD2 PHE 12 2.000 11.587 -7.608 109 HE1 PHE 12 HE1 PHE 12 -1.553 12.392 -4.301 110 HE2 PHE 12 HE2 PHE 12 2.276 13.349 -5.913 111 HZ PHE 12 HZ PHE 12 0.499 13.753 -4.256 112 H GLY 13 H GLY 13 -3.034 9.482 -10.550 113 HA2 GLY 13 2HA GLY 13 -1.364 7.470 -11.898 114 HA3 GLY 13 3HA GLY 13 -3.121 7.482 -11.868 115 H LYS 14 H LYS 14 -4.238 9.067 -13.156 116 HA LYS 14 HA LYS 14 -3.072 9.375 -15.732 117 HB2 LYS 14 2HB LYS 14 -5.673 9.693 -14.522 118 HB3 LYS 14 3HB LYS 14 -5.318 11.058 -15.574 119 HG2 LYS 14 2HG LYS 14 -6.427 9.473 -16.910 120 HG3 LYS 14 3HG LYS 14 -4.722 9.372 -17.355 121 HD2 LYS 14 2HD LYS 14 -4.494 7.280 -16.524 122 HD3 LYS 14 3HD LYS 14 -5.597 7.581 -15.179 123 HE2 LYS 14 2HE LYS 14 -7.501 7.245 -16.556 124 HE3 LYS 14 3HE LYS 14 -6.527 7.270 -18.025 125 HZ1 LYS 14 3HZ LYS 14 -5.753 5.161 -17.658 126 HZ2 LYS 14 1HZ LYS 14 -7.311 5.026 -17.013 127 HZ3 LYS 14 2HZ LYS 14 -5.984 5.229 -15.984 128 H GLY 15 H GLY 15 -1.715 10.906 -16.375 129 HA2 GLY 15 2HA GLY 15 -1.000 13.120 -14.770 130 HA3 GLY 15 3HA GLY 15 -0.533 12.874 -16.446 131 H GLY 16 H GLY 16 -1.667 13.884 -18.079 132 HA2 GLY 16 2HA GLY 16 -4.116 14.982 -18.190 133 HA3 GLY 16 3HA GLY 16 -3.241 16.167 -17.230 Start of MODEL 10 1 H1 VAL 1 H VAL 1 5.054 3.595 -0.184 2 HA VAL 1 HA VAL 1 5.652 2.913 -2.293 3 HB VAL 1 HB VAL 1 3.783 0.568 -1.941 4 HG11 VAL 1 1HG1 VAL 1 5.576 -0.371 -3.600 5 HG12 VAL 1 2HG1 VAL 1 4.250 0.632 -4.193 6 HG13 VAL 1 3HG1 VAL 1 5.849 1.336 -3.951 7 HG21 VAL 1 3HG2 VAL 1 5.897 -0.690 -1.409 8 HG22 VAL 1 1HG2 VAL 1 6.689 0.874 -1.217 9 HG23 VAL 1 2HG2 VAL 1 5.350 0.428 -0.159 10 H ALA 2 H ALA 2 4.840 3.255 -4.374 11 HA ALA 2 HA ALA 2 2.032 4.143 -4.448 12 HB1 ALA 2 1HB ALA 2 4.006 5.042 -6.488 13 HB2 ALA 2 2HB ALA 2 2.602 5.881 -5.827 14 HB3 ALA 2 3HB ALA 2 4.076 5.742 -4.870 15 H ARG 3 H ARG 3 2.185 1.528 -4.768 16 HA ARG 3 HA ARG 3 2.180 1.047 -7.673 17 HB2 ARG 3 2HB ARG 3 2.906 -0.634 -5.333 18 HB3 ARG 3 3HB ARG 3 2.122 -1.441 -6.684 19 HG2 ARG 3 2HG ARG 3 4.529 0.310 -7.059 20 HG3 ARG 3 3HG ARG 3 4.661 -1.404 -6.658 21 HD2 ARG 3 2HD ARG 3 3.168 -1.838 -8.662 22 HD3 ARG 3 3HD ARG 3 3.439 -0.153 -9.105 23 HE ARG 3 HE ARG 3 5.279 -2.331 -9.389 24 HH11 ARG 3 1HH1 ARG 3 4.997 1.113 -8.967 25 HH12 ARG 3 2HH1 ARG 3 6.537 1.459 -9.683 26 HH21 ARG 3 1HH2 ARG 3 7.309 -1.889 -10.333 27 HH22 ARG 3 2HH2 ARG 3 7.850 -0.250 -10.460 28 H GLY 4 H GLY 4 0.310 0.879 -4.734 29 HA2 GLY 4 2HA GLY 4 -1.916 -0.420 -6.127 30 HA3 GLY 4 3HA GLY 4 -1.809 -0.124 -4.398 31 H TRP 5 H TRP 5 -1.223 2.242 -6.943 32 HA TRP 5 HA TRP 5 -3.556 3.746 -5.955 33 HB2 TRP 5 2HB TRP 5 -0.814 4.571 -6.747 34 HB3 TRP 5 3HB TRP 5 -2.129 5.660 -7.182 35 HD1 TRP 5 HD1 TRP 5 -0.526 4.054 -4.059 36 HE1 TRP 5 HE1 TRP 5 -1.028 5.563 -2.035 37 HE3 TRP 5 HE3 TRP 5 -3.619 7.441 -6.318 38 HZ2 TRP 5 HZ2 TRP 5 -2.536 7.881 -1.471 39 HZ3 TRP 5 HZ3 TRP 5 -4.550 9.273 -4.966 40 HH2 TRP 5 HH2 TRP 5 -4.019 9.487 -2.592 41 H LYS 6 H LYS 6 -2.915 1.753 -8.322 42 HA LYS 6 HA LYS 6 -4.213 3.388 -10.402 43 HB2 LYS 6 2HB LYS 6 -3.231 1.788 -12.036 44 HB3 LYS 6 3HB LYS 6 -2.024 2.698 -11.136 45 HG2 LYS 6 2HG LYS 6 -1.050 0.774 -10.642 46 HG3 LYS 6 3HG LYS 6 -2.452 0.381 -9.643 47 HD2 LYS 6 2HD LYS 6 -2.365 -1.439 -11.058 48 HD3 LYS 6 3HD LYS 6 -3.496 -0.385 -11.909 49 HE2 LYS 6 2HE LYS 6 -2.176 -0.565 -13.691 50 HE3 LYS 6 3HE LYS 6 -0.986 0.397 -12.815 51 HZ1 LYS 6 3HZ LYS 6 0.134 -1.514 -12.107 52 HZ2 LYS 6 1HZ LYS 6 -0.221 -1.816 -13.734 53 HZ3 LYS 6 2HZ LYS 6 -1.145 -2.542 -12.517 54 H ARG 7 H ARG 7 -5.306 1.666 -8.143 55 HA ARG 7 HA ARG 7 -7.008 -0.060 -9.820 56 HB2 ARG 7 2HB ARG 7 -6.110 -0.484 -6.965 57 HB3 ARG 7 3HB ARG 7 -7.317 -1.469 -7.781 58 HG2 ARG 7 2HG ARG 7 -4.418 -1.186 -8.542 59 HG3 ARG 7 3HG ARG 7 -5.188 -2.592 -7.804 60 HD2 ARG 7 2HD ARG 7 -6.658 -2.750 -9.813 61 HD3 ARG 7 3HD ARG 7 -5.710 -1.457 -10.548 62 HE ARG 7 HE ARG 7 -4.073 -3.625 -9.678 63 HH11 ARG 7 1HH1 ARG 7 -6.194 -2.558 -12.225 64 HH12 ARG 7 2HH1 ARG 7 -5.459 -3.558 -13.434 65 HH21 ARG 7 1HH2 ARG 7 -3.097 -4.947 -11.261 66 HH22 ARG 7 2HH2 ARG 7 -3.699 -4.917 -12.884 67 H LYS 8 H LYS 8 -7.254 0.984 -6.437 68 HA LYS 8 HA LYS 8 -9.965 1.950 -7.011 69 HB2 LYS 8 2HB LYS 8 -8.751 1.472 -4.291 70 HB3 LYS 8 3HB LYS 8 -10.453 1.654 -4.693 71 HG2 LYS 8 2HG LYS 8 -10.542 -0.565 -4.694 72 HG3 LYS 8 3HG LYS 8 -9.674 -0.492 -6.229 73 HD2 LYS 8 2HD LYS 8 -7.565 -0.756 -5.120 74 HD3 LYS 8 3HD LYS 8 -8.325 -0.604 -3.534 75 HE2 LYS 8 2HE LYS 8 -9.143 -2.729 -3.573 76 HE3 LYS 8 3HE LYS 8 -9.330 -2.741 -5.326 77 HZ1 LYS 8 3HZ LYS 8 -6.592 -2.591 -4.455 78 HZ2 LYS 8 1HZ LYS 8 -7.308 -3.607 -5.603 79 HZ3 LYS 8 2HZ LYS 8 -7.375 -4.006 -3.961 80 H CYS 9 H CYS 9 -7.118 3.277 -7.175 81 HA CYS 9 HA CYS 9 -7.923 5.756 -5.800 82 HB2 CYS 9 2HB CYS 9 -5.074 4.962 -6.402 83 HB3 CYS 9 3HB CYS 9 -5.632 6.271 -5.368 84 HG CYS 9 HG CYS 9 -6.806 4.405 -3.509 85 HA PRO 10 HA PRO 10 -7.852 6.633 -10.326 86 HB2 PRO 10 2HB PRO 10 -10.003 8.287 -10.256 87 HB3 PRO 10 3HB PRO 10 -10.146 6.531 -10.403 88 HG2 PRO 10 2HG PRO 10 -10.435 8.259 -7.975 89 HG3 PRO 10 3HG PRO 10 -11.427 6.884 -8.495 90 HD2 PRO 10 2HD PRO 10 -9.521 6.666 -6.583 91 HD3 PRO 10 3HD PRO 10 -9.926 5.333 -7.684 92 H LEU 11 H LEU 11 -7.411 8.374 -7.463 93 HA LEU 11 HA LEU 11 -7.272 11.022 -8.404 94 HB2 LEU 11 2HB LEU 11 -6.205 9.545 -6.055 95 HB3 LEU 11 3HB LEU 11 -5.538 11.138 -6.409 96 HG LEU 11 HG LEU 11 -8.493 10.888 -6.261 97 HD11 LEU 11 1HD1 LEU 11 -8.122 11.377 -3.718 98 HD12 LEU 11 2HD1 LEU 11 -6.631 10.471 -3.972 99 HD13 LEU 11 3HD1 LEU 11 -8.189 9.717 -4.311 100 HD21 LEU 11 3HD2 LEU 11 -8.404 13.116 -5.649 101 HD22 LEU 11 1HD2 LEU 11 -7.031 12.977 -6.748 102 HD23 LEU 11 2HD2 LEU 11 -6.767 12.982 -5.004 103 H PHE 12 H PHE 12 -4.766 8.529 -8.054 104 HA PHE 12 HA PHE 12 -3.052 10.136 -9.833 105 HB2 PHE 12 2HB PHE 12 -2.309 8.382 -7.495 106 HB3 PHE 12 3HB PHE 12 -1.135 8.884 -8.706 107 HD1 PHE 12 HD2 PHE 12 -3.705 10.339 -6.432 108 HD2 PHE 12 HD1 PHE 12 0.071 10.805 -8.341 109 HE1 PHE 12 HE2 PHE 12 -3.349 12.443 -5.207 110 HE2 PHE 12 HE1 PHE 12 0.433 12.910 -7.119 111 HZ PHE 12 HZ PHE 12 -1.279 13.732 -5.550 112 H GLY 13 H GLY 13 -3.581 9.194 -11.765 113 HA2 GLY 13 2HA GLY 13 -3.478 6.276 -11.980 114 HA3 GLY 13 3HA GLY 13 -4.078 7.384 -13.205 115 H LYS 14 H LYS 14 -2.242 8.984 -13.946 116 HA LYS 14 HA LYS 14 -0.275 7.371 -15.215 117 HB2 LYS 14 2HB LYS 14 -1.082 9.281 -16.396 118 HB3 LYS 14 3HB LYS 14 -0.687 10.356 -15.061 119 HG2 LYS 14 2HG LYS 14 1.642 8.928 -16.022 120 HG3 LYS 14 3HG LYS 14 0.857 9.862 -17.298 121 HD2 LYS 14 2HD LYS 14 1.028 11.350 -14.815 122 HD3 LYS 14 3HD LYS 14 2.616 10.825 -15.378 123 HE2 LYS 14 2HE LYS 14 2.451 12.780 -16.533 124 HE3 LYS 14 3HE LYS 14 1.671 11.705 -17.693 125 HZ1 LYS 14 3HZ LYS 14 -0.156 12.918 -17.540 126 HZ2 LYS 14 1HZ LYS 14 0.598 13.959 -16.440 127 HZ3 LYS 14 2HZ LYS 14 -0.262 12.615 -15.879 128 H GLY 15 H GLY 15 -0.302 9.399 -12.366 129 HA2 GLY 15 2HA GLY 15 2.460 9.738 -12.012 130 HA3 GLY 15 3HA GLY 15 1.263 9.753 -10.726 131 H GLY 16 H GLY 16 0.836 7.856 -9.565 132 HA2 GLY 16 2HA GLY 16 3.040 6.172 -9.129 133 HA3 GLY 16 3HA GLY 16 1.411 5.890 -8.531 Start of MODEL 11 1 H1 VAL 1 H VAL 1 0.834 -2.847 2.240 2 HA VAL 1 HA VAL 1 1.701 -0.833 1.631 3 HB VAL 1 HB VAL 1 3.253 -2.379 -0.447 4 HG11 VAL 1 1HG1 VAL 1 4.930 -0.528 0.039 5 HG12 VAL 1 2HG1 VAL 1 3.490 -0.077 -0.876 6 HG13 VAL 1 3HG1 VAL 1 3.604 0.314 0.841 7 HG21 VAL 1 3HG2 VAL 1 3.602 -3.443 1.680 8 HG22 VAL 1 1HG2 VAL 1 5.033 -2.490 1.285 9 HG23 VAL 1 2HG2 VAL 1 3.869 -1.886 2.464 10 H ALA 2 H ALA 2 1.418 0.861 0.154 11 HA ALA 2 HA ALA 2 -0.586 0.318 -1.885 12 HB1 ALA 2 1HB ALA 2 -0.772 2.193 -0.196 13 HB2 ALA 2 2HB ALA 2 0.497 3.013 -1.106 14 HB3 ALA 2 3HB ALA 2 -1.040 2.635 -1.882 15 H ARG 3 H ARG 3 0.953 -0.811 -3.286 16 HA ARG 3 HA ARG 3 2.903 0.907 -4.628 17 HB2 ARG 3 2HB ARG 3 3.648 -1.197 -5.721 18 HB3 ARG 3 3HB ARG 3 3.736 -1.258 -3.966 19 HG2 ARG 3 2HG ARG 3 2.600 -3.154 -4.049 20 HG3 ARG 3 3HG ARG 3 1.202 -2.230 -4.601 21 HD2 ARG 3 2HD ARG 3 1.573 -4.000 -6.160 22 HD3 ARG 3 3HD ARG 3 2.047 -2.489 -6.934 23 HE ARG 3 HE ARG 3 4.362 -3.431 -5.866 24 HH11 ARG 3 1HH1 ARG 3 1.951 -4.756 -7.999 25 HH12 ARG 3 2HH1 ARG 3 3.070 -5.775 -8.843 26 HH21 ARG 3 1HH2 ARG 3 5.845 -4.768 -6.969 27 HH22 ARG 3 2HH2 ARG 3 5.284 -5.782 -8.255 28 H GLY 4 H GLY 4 -0.111 -0.783 -5.179 29 HA2 GLY 4 2HA GLY 4 -0.070 -0.186 -8.030 30 HA3 GLY 4 3HA GLY 4 -1.316 -1.078 -7.169 31 H TRP 5 H TRP 5 -0.108 2.105 -7.990 32 HA TRP 5 HA TRP 5 -2.522 3.344 -6.890 33 HB2 TRP 5 2HB TRP 5 0.189 4.313 -7.622 34 HB3 TRP 5 3HB TRP 5 -1.145 5.444 -7.836 35 HD1 TRP 5 HD1 TRP 5 0.534 3.351 -5.056 36 HE1 TRP 5 HE1 TRP 5 0.101 4.519 -2.804 37 HE3 TRP 5 HE3 TRP 5 -2.572 7.081 -6.660 38 HZ2 TRP 5 HZ2 TRP 5 -1.364 6.729 -1.835 39 HZ3 TRP 5 HZ3 TRP 5 -3.446 8.680 -5.008 40 HH2 TRP 5 HH2 TRP 5 -2.854 8.506 -2.645 41 H LYS 6 H LYS 6 -1.950 1.758 -9.560 42 HA LYS 6 HA LYS 6 -3.304 3.696 -11.320 43 HB2 LYS 6 2HB LYS 6 -1.744 1.288 -12.248 44 HB3 LYS 6 3HB LYS 6 -2.286 2.661 -13.205 45 HG2 LYS 6 2HG LYS 6 -0.213 3.432 -12.949 46 HG3 LYS 6 3HG LYS 6 -0.715 3.857 -11.311 47 HD2 LYS 6 2HD LYS 6 0.325 2.011 -10.375 48 HD3 LYS 6 3HD LYS 6 0.314 1.109 -11.893 49 HE2 LYS 6 2HE LYS 6 1.955 2.792 -12.782 50 HE3 LYS 6 3HE LYS 6 2.071 3.439 -11.147 51 HZ1 LYS 6 3HZ LYS 6 3.395 1.217 -12.250 52 HZ2 LYS 6 1HZ LYS 6 2.418 0.684 -10.976 53 HZ3 LYS 6 2HZ LYS 6 3.571 1.892 -10.709 54 H ARG 7 H ARG 7 -4.351 1.660 -9.321 55 HA ARG 7 HA ARG 7 -6.111 0.212 -11.189 56 HB2 ARG 7 2HB ARG 7 -4.891 -0.640 -8.584 57 HB3 ARG 7 3HB ARG 7 -6.403 -1.355 -9.128 58 HG2 ARG 7 2HG ARG 7 -5.032 -2.854 -10.086 59 HG3 ARG 7 3HG ARG 7 -4.929 -1.636 -11.359 60 HD2 ARG 7 2HD ARG 7 -2.830 -0.945 -10.714 61 HD3 ARG 7 3HD ARG 7 -3.048 -1.486 -9.050 62 HE ARG 7 HE ARG 7 -2.037 -3.023 -11.252 63 HH11 ARG 7 1HH1 ARG 7 -3.651 -3.177 -8.171 64 HH12 ARG 7 2HH1 ARG 7 -3.143 -4.800 -7.839 65 HH21 ARG 7 1HH2 ARG 7 -1.361 -5.160 -10.826 66 HH22 ARG 7 2HH2 ARG 7 -1.839 -5.926 -9.349 67 H LYS 8 H LYS 8 -6.272 0.711 -7.682 68 HA LYS 8 HA LYS 8 -8.980 1.788 -8.034 69 HB2 LYS 8 2HB LYS 8 -9.286 1.254 -5.642 70 HB3 LYS 8 3HB LYS 8 -8.846 -0.159 -6.593 71 HG2 LYS 8 2HG LYS 8 -7.284 -0.549 -5.068 72 HG3 LYS 8 3HG LYS 8 -6.416 0.837 -5.732 73 HD2 LYS 8 2HD LYS 8 -6.564 1.232 -3.411 74 HD3 LYS 8 3HD LYS 8 -7.786 2.271 -4.147 75 HE2 LYS 8 2HE LYS 8 -8.952 1.338 -2.388 76 HE3 LYS 8 3HE LYS 8 -9.372 0.256 -3.715 77 HZ1 LYS 8 3HZ LYS 8 -8.166 -0.395 -1.287 78 HZ2 LYS 8 1HZ LYS 8 -7.019 -0.673 -2.500 79 HZ3 LYS 8 2HZ LYS 8 -8.531 -1.427 -2.577 80 H CYS 9 H CYS 9 -6.130 3.102 -8.059 81 HA CYS 9 HA CYS 9 -6.862 5.325 -6.268 82 HB2 CYS 9 2HB CYS 9 -4.042 4.622 -7.084 83 HB3 CYS 9 3HB CYS 9 -4.553 5.745 -5.830 84 HG CYS 9 HG CYS 9 -5.828 3.403 -4.472 85 HA PRO 10 HA PRO 10 -6.918 6.939 -10.586 86 HB2 PRO 10 2HB PRO 10 -9.042 8.579 -10.173 87 HB3 PRO 10 3HB PRO 10 -9.215 6.873 -10.602 88 HG2 PRO 10 2HG PRO 10 -9.402 8.178 -7.915 89 HG3 PRO 10 3HG PRO 10 -10.430 6.917 -8.620 90 HD2 PRO 10 2HD PRO 10 -8.469 6.368 -6.836 91 HD3 PRO 10 3HD PRO 10 -8.928 5.240 -8.127 92 H LEU 11 H LEU 11 -6.361 8.178 -7.492 93 HA LEU 11 HA LEU 11 -6.228 10.941 -7.952 94 HB2 LEU 11 2HB LEU 11 -5.560 9.127 -5.872 95 HB3 LEU 11 3HB LEU 11 -4.174 10.183 -6.138 96 HG LEU 11 HG LEU 11 -6.976 11.153 -5.581 97 HD11 LEU 11 1HD1 LEU 11 -4.713 11.309 -3.639 98 HD12 LEU 11 2HD1 LEU 11 -5.691 9.846 -3.741 99 HD13 LEU 11 3HD1 LEU 11 -6.450 11.388 -3.348 100 HD21 LEU 11 3HD2 LEU 11 -6.221 13.191 -6.035 101 HD22 LEU 11 1HD2 LEU 11 -4.744 12.455 -6.657 102 HD23 LEU 11 2HD2 LEU 11 -4.832 12.967 -4.972 103 H PHE 12 H PHE 12 -3.785 8.401 -8.321 104 HA PHE 12 HA PHE 12 -1.907 10.345 -9.433 105 HB2 PHE 12 2HB PHE 12 -1.675 7.558 -8.379 106 HB3 PHE 12 3HB PHE 12 -0.472 8.129 -9.530 107 HD1 PHE 12 HD1 PHE 12 -2.220 9.807 -6.697 108 HD2 PHE 12 HD2 PHE 12 1.479 8.571 -8.401 109 HE1 PHE 12 HE1 PHE 12 -1.009 10.924 -4.869 110 HE2 PHE 12 HE2 PHE 12 2.696 9.684 -6.576 111 HZ PHE 12 HZ PHE 12 1.453 10.862 -4.806 112 H GLY 13 H GLY 13 -4.375 9.443 -10.827 113 HA2 GLY 13 2HA GLY 13 -3.799 7.630 -12.885 114 HA3 GLY 13 3HA GLY 13 -5.020 8.892 -12.959 115 H LYS 14 H LYS 14 -4.553 10.842 -13.960 116 HA LYS 14 HA LYS 14 -2.565 10.722 -16.002 117 HB2 LYS 14 2HB LYS 14 -4.863 12.337 -15.375 118 HB3 LYS 14 3HB LYS 14 -3.503 13.374 -15.784 119 HG2 LYS 14 2HG LYS 14 -4.744 12.930 -17.773 120 HG3 LYS 14 3HG LYS 14 -3.207 12.068 -17.875 121 HD2 LYS 14 2HD LYS 14 -4.210 9.994 -17.511 122 HD3 LYS 14 3HD LYS 14 -5.667 10.714 -16.823 123 HE2 LYS 14 2HE LYS 14 -5.990 9.794 -19.107 124 HE3 LYS 14 3HE LYS 14 -6.359 11.513 -18.977 125 HZ1 LYS 14 3HZ LYS 14 -4.822 11.982 -20.486 126 HZ2 LYS 14 1HZ LYS 14 -4.651 10.324 -20.773 127 HZ3 LYS 14 2HZ LYS 14 -3.634 11.100 -19.667 128 H GLY 15 H GLY 15 -0.478 10.856 -15.411 129 HA2 GLY 15 2HA GLY 15 0.341 12.685 -13.301 130 HA3 GLY 15 3HA GLY 15 1.367 11.527 -14.136 131 H GLY 16 H GLY 16 0.350 12.540 -16.775 132 HA2 GLY 16 2HA GLY 16 0.937 15.265 -17.083 133 HA3 GLY 16 3HA GLY 16 2.427 14.361 -17.305 Start of MODEL 12 1 H1 VAL 1 H VAL 1 0.838 -1.848 1.686 2 HA VAL 1 HA VAL 1 2.683 -1.104 0.442 3 HB VAL 1 HB VAL 1 3.032 -1.968 -1.890 4 HG11 VAL 1 1HG1 VAL 1 3.006 -4.339 -0.097 5 HG12 VAL 1 2HG1 VAL 1 4.288 -3.723 -1.142 6 HG13 VAL 1 3HG1 VAL 1 3.945 -2.930 0.396 7 HG21 VAL 1 3HG2 VAL 1 1.206 -4.233 -1.240 8 HG22 VAL 1 1HG2 VAL 1 0.528 -2.753 -1.920 9 HG23 VAL 1 2HG2 VAL 1 1.762 -3.648 -2.809 10 H ALA 2 H ALA 2 2.784 0.686 -0.896 11 HA ALA 2 HA ALA 2 0.218 1.523 -2.081 12 HB1 ALA 2 1HB ALA 2 0.700 2.923 -0.212 13 HB2 ALA 2 2HB ALA 2 2.358 3.179 -0.758 14 HB3 ALA 2 3HB ALA 2 1.014 3.860 -1.674 15 H ARG 3 H ARG 3 1.205 0.222 -3.931 16 HA ARG 3 HA ARG 3 2.993 1.948 -5.515 17 HB2 ARG 3 2HB ARG 3 2.610 -1.046 -5.712 18 HB3 ARG 3 3HB ARG 3 3.683 -0.082 -6.717 19 HG2 ARG 3 2HG ARG 3 5.072 0.448 -4.844 20 HG3 ARG 3 3HG ARG 3 3.931 -0.305 -3.728 21 HD2 ARG 3 2HD ARG 3 4.458 -2.457 -4.449 22 HD3 ARG 3 3HD ARG 3 5.164 -1.879 -5.958 23 HE ARG 3 HE ARG 3 6.486 -2.168 -3.436 24 HH11 ARG 3 1HH1 ARG 3 6.451 -0.384 -6.425 25 HH12 ARG 3 2HH1 ARG 3 8.131 0.033 -6.348 26 HH21 ARG 3 1HH2 ARG 3 8.699 -1.627 -3.323 27 HH22 ARG 3 2HH2 ARG 3 9.409 -0.676 -4.583 28 H GLY 4 H GLY 4 -0.033 0.256 -5.392 29 HA2 GLY 4 2HA GLY 4 -0.569 0.741 -8.223 30 HA3 GLY 4 3HA GLY 4 -1.592 -0.156 -7.110 31 H TRP 5 H TRP 5 -0.518 3.095 -7.988 32 HA TRP 5 HA TRP 5 -2.714 4.294 -6.508 33 HB2 TRP 5 2HB TRP 5 -0.302 5.321 -7.938 34 HB3 TRP 5 3HB TRP 5 -1.668 6.409 -7.711 35 HD1 TRP 5 HD1 TRP 5 1.157 4.722 -5.824 36 HE1 TRP 5 HE1 TRP 5 1.244 5.656 -3.427 37 HE3 TRP 5 HE3 TRP 5 -3.205 7.389 -5.832 38 HZ2 TRP 5 HZ2 TRP 5 -0.329 7.303 -1.760 39 HZ3 TRP 5 HZ3 TRP 5 -3.842 8.615 -3.796 40 HH2 TRP 5 HH2 TRP 5 -2.432 8.572 -1.803 41 H LYS 6 H LYS 6 -2.687 2.666 -9.236 42 HA LYS 6 HA LYS 6 -4.563 4.486 -10.598 43 HB2 LYS 6 2HB LYS 6 -3.932 3.194 -12.693 44 HB3 LYS 6 3HB LYS 6 -2.706 4.275 -12.047 45 HG2 LYS 6 2HG LYS 6 -2.627 1.469 -11.121 46 HG3 LYS 6 3HG LYS 6 -2.187 1.775 -12.803 47 HD2 LYS 6 2HD LYS 6 -0.617 3.556 -11.937 48 HD3 LYS 6 3HD LYS 6 -0.927 2.921 -10.319 49 HE2 LYS 6 2HE LYS 6 1.089 1.927 -11.150 50 HE3 LYS 6 3HE LYS 6 -0.167 0.691 -11.117 51 HZ1 LYS 6 3HZ LYS 6 1.396 1.417 -13.270 52 HZ2 LYS 6 1HZ LYS 6 -0.144 2.024 -13.618 53 HZ3 LYS 6 2HZ LYS 6 0.061 0.378 -13.285 54 H ARG 7 H ARG 7 -4.890 2.289 -8.528 55 HA ARG 7 HA ARG 7 -6.827 0.665 -10.045 56 HB2 ARG 7 2HB ARG 7 -4.907 -0.074 -7.881 57 HB3 ARG 7 3HB ARG 7 -6.446 -0.921 -7.964 58 HG2 ARG 7 2HG ARG 7 -5.575 -2.268 -9.486 59 HG3 ARG 7 3HG ARG 7 -5.423 -0.890 -10.579 60 HD2 ARG 7 2HD ARG 7 -3.246 -1.593 -10.502 61 HD3 ARG 7 3HD ARG 7 -3.249 -0.434 -9.173 62 HE ARG 7 HE ARG 7 -2.791 -2.160 -7.761 63 HH11 ARG 7 1HH1 ARG 7 -4.247 -3.456 -10.645 64 HH12 ARG 7 2HH1 ARG 7 -4.050 -5.107 -10.159 65 HH21 ARG 7 1HH2 ARG 7 -2.525 -4.330 -7.110 66 HH22 ARG 7 2HH2 ARG 7 -3.071 -5.603 -8.148 67 H LYS 8 H LYS 8 -6.284 1.049 -6.563 68 HA LYS 8 HA LYS 8 -9.117 1.723 -6.258 69 HB2 LYS 8 2HB LYS 8 -7.162 1.079 -4.055 70 HB3 LYS 8 3HB LYS 8 -8.919 1.044 -3.982 71 HG2 LYS 8 2HG LYS 8 -8.674 -1.156 -4.274 72 HG3 LYS 8 3HG LYS 8 -8.430 -0.742 -5.972 73 HD2 LYS 8 2HD LYS 8 -6.229 -1.227 -5.904 74 HD3 LYS 8 3HD LYS 8 -6.029 -0.561 -4.281 75 HE2 LYS 8 2HE LYS 8 -5.622 -2.895 -4.126 76 HE3 LYS 8 3HE LYS 8 -7.207 -2.603 -3.411 77 HZ1 LYS 8 3HZ LYS 8 -6.673 -3.654 -6.137 78 HZ2 LYS 8 1HZ LYS 8 -8.209 -3.290 -5.528 79 HZ3 LYS 8 2HZ LYS 8 -7.292 -4.526 -4.826 80 H CYS 9 H CYS 9 -6.443 3.405 -6.797 81 HA CYS 9 HA CYS 9 -7.217 5.585 -4.972 82 HB2 CYS 9 2HB CYS 9 -4.458 5.191 -6.134 83 HB3 CYS 9 3HB CYS 9 -4.940 6.313 -4.867 84 HG CYS 9 HG CYS 9 -3.624 3.432 -4.478 85 HA PRO 10 HA PRO 10 -7.981 6.961 -9.325 86 HB2 PRO 10 2HB PRO 10 -10.333 8.192 -8.760 87 HB3 PRO 10 3HB PRO 10 -10.217 6.470 -9.141 88 HG2 PRO 10 2HG PRO 10 -10.426 7.810 -6.472 89 HG3 PRO 10 3HG PRO 10 -11.254 6.357 -7.062 90 HD2 PRO 10 2HD PRO 10 -9.085 6.243 -5.444 91 HD3 PRO 10 3HD PRO 10 -9.428 5.005 -6.670 92 H LEU 11 H LEU 11 -6.040 8.269 -8.454 93 HA LEU 11 HA LEU 11 -6.925 11.034 -7.946 94 HB2 LEU 11 2HB LEU 11 -4.420 9.643 -7.013 95 HB3 LEU 11 3HB LEU 11 -4.718 11.372 -6.849 96 HG LEU 11 HG LEU 11 -6.845 10.578 -5.543 97 HD11 LEU 11 1HD1 LEU 11 -5.245 8.123 -5.834 98 HD12 LEU 11 2HD1 LEU 11 -6.973 8.330 -5.553 99 HD13 LEU 11 3HD1 LEU 11 -5.839 8.467 -4.210 100 HD21 LEU 11 3HD2 LEU 11 -4.035 10.937 -4.716 101 HD22 LEU 11 1HD2 LEU 11 -5.114 10.216 -3.521 102 HD23 LEU 11 2HD2 LEU 11 -5.490 11.796 -4.209 103 H PHE 12 H PHE 12 -3.816 9.577 -8.874 104 HA PHE 12 HA PHE 12 -3.346 11.633 -10.816 105 HB2 PHE 12 2HB PHE 12 -1.787 9.069 -10.473 106 HB3 PHE 12 3HB PHE 12 -1.226 10.581 -11.179 107 HD1 PHE 12 HD1 PHE 12 -0.690 12.492 -9.763 108 HD2 PHE 12 HD2 PHE 12 -1.872 8.757 -8.101 109 HE1 PHE 12 HE1 PHE 12 0.164 13.203 -7.567 110 HE2 PHE 12 HE2 PHE 12 -1.022 9.462 -5.902 111 HZ PHE 12 HZ PHE 12 -0.003 11.688 -5.633 112 H GLY 13 H GLY 13 -4.997 11.460 -12.344 113 HA2 GLY 13 2HA GLY 13 -5.181 8.946 -13.846 114 HA3 GLY 13 3HA GLY 13 -6.329 10.274 -13.917 115 H LYS 14 H LYS 14 -2.900 10.847 -14.097 116 HA LYS 14 HA LYS 14 -3.157 12.202 -16.588 117 HB2 LYS 14 2HB LYS 14 -1.510 12.999 -15.058 118 HB3 LYS 14 3HB LYS 14 -0.771 11.409 -14.921 119 HG2 LYS 14 2HG LYS 14 -0.787 12.334 -17.658 120 HG3 LYS 14 3HG LYS 14 0.022 13.478 -16.584 121 HD2 LYS 14 2HD LYS 14 0.751 10.722 -16.019 122 HD3 LYS 14 3HD LYS 14 1.126 11.189 -17.680 123 HE2 LYS 14 2HE LYS 14 1.920 12.804 -15.264 124 HE3 LYS 14 3HE LYS 14 2.960 11.596 -16.017 125 HZ1 LYS 14 3HZ LYS 14 3.257 12.878 -17.876 126 HZ2 LYS 14 1HZ LYS 14 3.143 14.082 -16.693 127 HZ3 LYS 14 2HZ LYS 14 1.811 13.733 -17.674 128 H GLY 15 H GLY 15 -2.141 8.992 -15.628 129 HA2 GLY 15 2HA GLY 15 -1.032 8.326 -18.203 130 HA3 GLY 15 3HA GLY 15 -1.307 7.219 -16.866 131 H GLY 16 H GLY 16 -4.109 7.830 -16.557 132 HA2 GLY 16 2HA GLY 16 -6.176 7.418 -17.534 133 HA3 GLY 16 3HA GLY 16 -5.377 7.259 -19.091 Start of MODEL 13 1 H1 VAL 1 H VAL 1 1.795 -1.451 1.595 2 HA VAL 1 HA VAL 1 1.894 1.363 0.719 3 HB VAL 1 HB VAL 1 3.652 -0.860 -0.319 4 HG11 VAL 1 1HG1 VAL 1 3.541 0.726 -2.003 5 HG12 VAL 1 2HG1 VAL 1 3.420 2.072 -0.868 6 HG13 VAL 1 3HG1 VAL 1 4.959 1.240 -1.091 7 HG21 VAL 1 3HG2 VAL 1 4.378 -0.540 1.893 8 HG22 VAL 1 1HG2 VAL 1 5.459 0.451 0.913 9 HG23 VAL 1 2HG2 VAL 1 4.140 1.205 1.809 10 H ALA 2 H ALA 2 1.203 1.838 -1.373 11 HA ALA 2 HA ALA 2 -0.446 -0.261 -2.612 12 HB1 ALA 2 1HB ALA 2 -0.719 2.698 -3.075 13 HB2 ALA 2 2HB ALA 2 -1.880 1.422 -3.441 14 HB3 ALA 2 3HB ALA 2 -1.545 1.855 -1.764 15 H ARG 3 H ARG 3 1.407 -1.126 -3.729 16 HA ARG 3 HA ARG 3 3.086 0.294 -5.433 17 HB2 ARG 3 2HB ARG 3 2.102 -2.557 -5.616 18 HB3 ARG 3 3HB ARG 3 3.395 -1.899 -6.611 19 HG2 ARG 3 2HG ARG 3 4.887 -1.858 -4.895 20 HG3 ARG 3 3HG ARG 3 3.640 -1.620 -3.669 21 HD2 ARG 3 2HD ARG 3 2.948 -3.942 -3.901 22 HD3 ARG 3 3HD ARG 3 4.144 -4.186 -5.173 23 HE ARG 3 HE ARG 3 5.571 -3.298 -3.007 24 HH11 ARG 3 1HH1 ARG 3 3.426 -5.960 -3.664 25 HH12 ARG 3 2HH1 ARG 3 4.193 -7.027 -2.535 26 HH21 ARG 3 1HH2 ARG 3 6.589 -4.692 -1.517 27 HH22 ARG 3 2HH2 ARG 3 5.992 -6.304 -1.313 28 H GLY 4 H GLY 4 -0.212 -0.710 -5.848 29 HA2 GLY 4 2HA GLY 4 -0.123 0.041 -8.693 30 HA3 GLY 4 3HA GLY 4 -1.394 -0.903 -7.929 31 H TRP 5 H TRP 5 -0.309 2.223 -8.793 32 HA TRP 5 HA TRP 5 -2.384 3.537 -7.205 33 HB2 TRP 5 2HB TRP 5 0.082 4.429 -8.604 34 HB3 TRP 5 3HB TRP 5 -1.249 5.580 -8.521 35 HD1 TRP 5 HD1 TRP 5 1.055 3.547 -6.184 36 HE1 TRP 5 HE1 TRP 5 1.192 4.775 -3.926 37 HE3 TRP 5 HE3 TRP 5 -2.358 7.250 -7.066 38 HZ2 TRP 5 HZ2 TRP 5 0.009 7.017 -2.683 39 HZ3 TRP 5 HZ3 TRP 5 -2.798 8.896 -5.291 40 HH2 TRP 5 HH2 TRP 5 -1.638 8.780 -3.146 41 H LYS 6 H LYS 6 -2.499 1.864 -9.879 42 HA LYS 6 HA LYS 6 -4.220 3.777 -11.316 43 HB2 LYS 6 2HB LYS 6 -3.809 2.214 -13.298 44 HB3 LYS 6 3HB LYS 6 -2.471 3.236 -12.793 45 HG2 LYS 6 2HG LYS 6 -2.523 0.620 -11.491 46 HG3 LYS 6 3HG LYS 6 -2.323 0.555 -13.243 47 HD2 LYS 6 2HD LYS 6 -0.494 2.283 -12.965 48 HD3 LYS 6 3HD LYS 6 -0.599 1.983 -11.229 49 HE2 LYS 6 2HE LYS 6 -0.124 -0.399 -11.639 50 HE3 LYS 6 3HE LYS 6 0.035 -0.056 -13.361 51 HZ1 LYS 6 3HZ LYS 6 1.732 1.721 -12.303 52 HZ2 LYS 6 1HZ LYS 6 2.188 0.183 -12.843 53 HZ3 LYS 6 2HZ LYS 6 1.890 0.449 -11.199 54 H ARG 7 H ARG 7 -4.756 1.792 -9.073 55 HA ARG 7 HA ARG 7 -6.927 0.325 -10.423 56 HB2 ARG 7 2HB ARG 7 -5.324 -0.482 -7.991 57 HB3 ARG 7 3HB ARG 7 -6.752 -1.333 -8.565 58 HG2 ARG 7 2HG ARG 7 -4.148 -0.997 -10.037 59 HG3 ARG 7 3HG ARG 7 -4.766 -2.476 -9.299 60 HD2 ARG 7 2HD ARG 7 -6.782 -2.184 -10.848 61 HD3 ARG 7 3HD ARG 7 -5.787 -1.015 -11.715 62 HE ARG 7 HE ARG 7 -5.509 -3.880 -11.726 63 HH11 ARG 7 1HH1 ARG 7 -3.904 -0.834 -12.247 64 HH12 ARG 7 2HH1 ARG 7 -2.699 -1.501 -13.298 65 HH21 ARG 7 1HH2 ARG 7 -3.928 -4.769 -13.109 66 HH22 ARG 7 2HH2 ARG 7 -2.714 -3.738 -13.788 67 H LYS 8 H LYS 8 -6.211 0.921 -6.999 68 HA LYS 8 HA LYS 8 -8.925 1.998 -6.697 69 HB2 LYS 8 2HB LYS 8 -8.643 1.525 -4.299 70 HB3 LYS 8 3HB LYS 8 -8.406 0.086 -5.281 71 HG2 LYS 8 2HG LYS 8 -5.960 1.599 -4.700 72 HG3 LYS 8 3HG LYS 8 -6.754 0.885 -3.294 73 HD2 LYS 8 2HD LYS 8 -6.588 -0.916 -5.590 74 HD3 LYS 8 3HD LYS 8 -5.014 -0.410 -4.973 75 HE2 LYS 8 2HE LYS 8 -5.381 -1.361 -2.894 76 HE3 LYS 8 3HE LYS 8 -7.133 -1.339 -3.080 77 HZ1 LYS 8 3HZ LYS 8 -6.625 -3.550 -3.369 78 HZ2 LYS 8 1HZ LYS 8 -5.177 -3.239 -4.187 79 HZ3 LYS 8 2HZ LYS 8 -6.658 -3.009 -4.972 80 H CYS 9 H CYS 9 -6.161 3.289 -7.459 81 HA CYS 9 HA CYS 9 -6.443 5.577 -5.623 82 HB2 CYS 9 2HB CYS 9 -3.901 4.826 -7.067 83 HB3 CYS 9 3HB CYS 9 -4.097 5.992 -5.763 84 HG CYS 9 HG CYS 9 -3.980 2.604 -5.588 85 HA PRO 10 HA PRO 10 -7.535 7.048 -9.853 86 HB2 PRO 10 2HB PRO 10 -9.493 8.722 -8.996 87 HB3 PRO 10 3HB PRO 10 -9.767 7.005 -9.312 88 HG2 PRO 10 2HG PRO 10 -9.297 8.400 -6.705 89 HG3 PRO 10 3HG PRO 10 -10.468 7.127 -7.098 90 HD2 PRO 10 2HD PRO 10 -8.135 6.618 -5.821 91 HD3 PRO 10 3HD PRO 10 -8.894 5.452 -6.924 92 H LEU 11 H LEU 11 -6.244 8.383 -7.030 93 HA LEU 11 HA LEU 11 -6.220 11.128 -7.611 94 HB2 LEU 11 2HB LEU 11 -4.674 9.302 -5.873 95 HB3 LEU 11 3HB LEU 11 -3.929 10.854 -6.248 96 HG LEU 11 HG LEU 11 -6.621 10.466 -4.940 97 HD11 LEU 11 1HD1 LEU 11 -5.580 10.408 -2.984 98 HD12 LEU 11 2HD1 LEU 11 -4.660 11.860 -3.377 99 HD13 LEU 11 3HD1 LEU 11 -4.048 10.274 -3.847 100 HD21 LEU 11 3HD2 LEU 11 -5.046 12.930 -5.658 101 HD22 LEU 11 1HD2 LEU 11 -6.386 12.928 -4.512 102 HD23 LEU 11 2HD2 LEU 11 -6.666 12.485 -6.197 103 H PHE 12 H PHE 12 -3.907 8.561 -8.412 104 HA PHE 12 HA PHE 12 -2.330 10.431 -9.999 105 HB2 PHE 12 2HB PHE 12 -1.919 7.656 -8.971 106 HB3 PHE 12 3HB PHE 12 -1.015 8.168 -10.392 107 HD1 PHE 12 HD1 PHE 12 -1.989 9.996 -7.295 108 HD2 PHE 12 HD2 PHE 12 1.165 8.526 -9.747 109 HE1 PHE 12 HE1 PHE 12 -0.345 11.107 -5.841 110 HE2 PHE 12 HE2 PHE 12 2.814 9.635 -8.296 111 HZ PHE 12 HZ PHE 12 2.060 10.927 -6.340 112 H GLY 13 H GLY 13 -3.408 10.885 -11.856 113 HA2 GLY 13 2HA GLY 13 -4.547 8.679 -13.411 114 HA3 GLY 13 3HA GLY 13 -4.808 10.393 -13.701 115 H LYS 14 H LYS 14 -3.418 11.520 -15.012 116 HA LYS 14 HA LYS 14 -1.443 9.878 -16.449 117 HB2 LYS 14 2HB LYS 14 -2.877 12.379 -17.365 118 HB3 LYS 14 3HB LYS 14 -1.728 11.450 -18.319 119 HG2 LYS 14 2HG LYS 14 -3.545 10.447 -19.141 120 HG3 LYS 14 3HG LYS 14 -3.526 9.531 -17.632 121 HD2 LYS 14 2HD LYS 14 -5.325 10.623 -16.794 122 HD3 LYS 14 3HD LYS 14 -4.874 12.157 -17.542 123 HE2 LYS 14 2HE LYS 14 -5.478 10.783 -19.747 124 HE3 LYS 14 3HE LYS 14 -6.508 9.922 -18.605 125 HZ1 LYS 14 3HZ LYS 14 -6.592 12.773 -19.369 126 HZ2 LYS 14 1HZ LYS 14 -7.287 12.238 -17.922 127 HZ3 LYS 14 2HZ LYS 14 -7.840 11.631 -19.401 128 H GLY 15 H GLY 15 -1.929 12.787 -14.612 129 HA2 GLY 15 2HA GLY 15 0.872 13.572 -15.104 130 HA3 GLY 15 3HA GLY 15 -0.392 14.659 -14.548 131 H GLY 16 H GLY 16 0.965 11.525 -13.499 132 HA2 GLY 16 2HA GLY 16 0.697 12.375 -10.722 133 HA3 GLY 16 3HA GLY 16 1.133 10.767 -11.282 Start of MODEL 14 1 H1 VAL 1 H VAL 1 2.041 -2.842 0.645 2 HA VAL 1 HA VAL 1 3.336 -0.697 1.276 3 HB VAL 1 HB VAL 1 4.740 -1.489 -1.278 4 HG11 VAL 1 1HG1 VAL 1 4.848 0.896 0.526 5 HG12 VAL 1 2HG1 VAL 1 6.254 0.438 -0.438 6 HG13 VAL 1 3HG1 VAL 1 4.727 0.829 -1.232 7 HG21 VAL 1 3HG2 VAL 1 6.707 -1.374 0.560 8 HG22 VAL 1 1HG2 VAL 1 5.388 -1.995 1.553 9 HG23 VAL 1 2HG2 VAL 1 5.884 -2.865 0.101 10 H ALA 2 H ALA 2 2.645 1.226 0.297 11 HA ALA 2 HA ALA 2 0.318 0.962 -1.343 12 HB1 ALA 2 1HB ALA 2 0.752 2.692 0.490 13 HB2 ALA 2 2HB ALA 2 1.688 3.559 -0.728 14 HB3 ALA 2 3HB ALA 2 -0.028 3.248 -0.992 15 H ARG 3 H ARG 3 1.345 -0.079 -3.194 16 HA ARG 3 HA ARG 3 2.814 1.803 -4.915 17 HB2 ARG 3 2HB ARG 3 2.736 -1.214 -4.884 18 HB3 ARG 3 3HB ARG 3 3.457 -0.285 -6.192 19 HG2 ARG 3 2HG ARG 3 5.165 0.538 -4.815 20 HG3 ARG 3 3HG ARG 3 4.318 0.064 -3.341 21 HD2 ARG 3 2HD ARG 3 5.614 -1.756 -3.375 22 HD3 ARG 3 3HD ARG 3 4.573 -2.315 -4.684 23 HE ARG 3 HE ARG 3 6.475 -0.789 -5.916 24 HH11 ARG 3 1HH1 ARG 3 6.513 -3.559 -3.808 25 HH12 ARG 3 2HH1 ARG 3 7.979 -4.205 -4.469 26 HH21 ARG 3 1HH2 ARG 3 8.406 -1.629 -6.795 27 HH22 ARG 3 2HH2 ARG 3 9.055 -3.106 -6.167 28 H GLY 4 H GLY 4 0.009 -0.263 -4.668 29 HA2 GLY 4 2HA GLY 4 -0.742 -0.030 -7.431 30 HA3 GLY 4 3HA GLY 4 -1.733 -0.674 -6.130 31 H TRP 5 H TRP 5 -0.821 2.178 -7.910 32 HA TRP 5 HA TRP 5 -2.958 3.681 -6.551 33 HB2 TRP 5 2HB TRP 5 -0.326 4.475 -7.678 34 HB3 TRP 5 3HB TRP 5 -1.651 5.619 -7.867 35 HD1 TRP 5 HD1 TRP 5 0.311 3.799 -5.085 36 HE1 TRP 5 HE1 TRP 5 0.151 5.209 -2.937 37 HE3 TRP 5 HE3 TRP 5 -2.935 7.396 -6.716 38 HZ2 TRP 5 HZ2 TRP 5 -1.176 7.537 -2.052 39 HZ3 TRP 5 HZ3 TRP 5 -3.600 9.179 -5.156 40 HH2 TRP 5 HH2 TRP 5 -2.738 9.246 -2.872 41 H LYS 6 H LYS 6 -2.725 1.796 -9.070 42 HA LYS 6 HA LYS 6 -4.233 3.573 -10.874 43 HB2 LYS 6 2HB LYS 6 -3.549 2.005 -12.694 44 HB3 LYS 6 3HB LYS 6 -2.207 2.865 -11.952 45 HG2 LYS 6 2HG LYS 6 -1.206 0.924 -11.609 46 HG3 LYS 6 3HG LYS 6 -2.508 0.477 -10.504 47 HD2 LYS 6 2HD LYS 6 -2.454 -1.257 -12.079 48 HD3 LYS 6 3HD LYS 6 -3.795 -0.234 -12.598 49 HE2 LYS 6 2HE LYS 6 -2.765 0.355 -14.509 50 HE3 LYS 6 3HE LYS 6 -1.189 0.494 -13.732 51 HZ1 LYS 6 3HZ LYS 6 -2.066 -2.215 -13.869 52 HZ2 LYS 6 1HZ LYS 6 -0.627 -1.523 -14.427 53 HZ3 LYS 6 2HZ LYS 6 -2.006 -1.511 -15.406 54 H ARG 7 H ARG 7 -5.069 1.774 -8.567 55 HA ARG 7 HA ARG 7 -7.049 0.188 -10.068 56 HB2 ARG 7 2HB ARG 7 -5.784 -0.407 -7.388 57 HB3 ARG 7 3HB ARG 7 -7.128 -1.311 -8.072 58 HG2 ARG 7 2HG ARG 7 -4.353 -1.081 -9.215 59 HG3 ARG 7 3HG ARG 7 -5.067 -2.498 -8.443 60 HD2 ARG 7 2HD ARG 7 -6.800 -2.515 -10.231 61 HD3 ARG 7 3HD ARG 7 -5.925 -1.209 -11.029 62 HE ARG 7 HE ARG 7 -4.041 -3.129 -10.723 63 HH11 ARG 7 1HH1 ARG 7 -7.244 -3.102 -12.087 64 HH12 ARG 7 2HH1 ARG 7 -6.903 -4.345 -13.244 65 HH21 ARG 7 1HH2 ARG 7 -3.580 -4.766 -12.243 66 HH22 ARG 7 2HH2 ARG 7 -4.819 -5.292 -13.332 67 H LYS 8 H LYS 8 -6.789 1.065 -6.639 68 HA LYS 8 HA LYS 8 -9.515 2.145 -6.786 69 HB2 LYS 8 2HB LYS 8 -7.972 1.511 -4.276 70 HB3 LYS 8 3HB LYS 8 -9.708 1.727 -4.453 71 HG2 LYS 8 2HG LYS 8 -9.762 -0.507 -4.460 72 HG3 LYS 8 3HG LYS 8 -9.262 -0.347 -6.145 73 HD2 LYS 8 2HD LYS 8 -6.913 -0.536 -5.450 74 HD3 LYS 8 3HD LYS 8 -7.432 -0.727 -3.774 75 HE2 LYS 8 2HE LYS 8 -8.364 -2.824 -4.176 76 HE3 LYS 8 3HE LYS 8 -8.453 -2.556 -5.916 77 HZ1 LYS 8 3HZ LYS 8 -6.359 -3.250 -6.210 78 HZ2 LYS 8 1HZ LYS 8 -6.542 -3.987 -4.698 79 HZ3 LYS 8 2HZ LYS 8 -5.781 -2.482 -4.818 80 H CYS 9 H CYS 9 -6.669 3.388 -7.281 81 HA CYS 9 HA CYS 9 -7.182 5.817 -5.693 82 HB2 CYS 9 2HB CYS 9 -4.475 4.968 -6.722 83 HB3 CYS 9 3HB CYS 9 -4.836 6.236 -5.558 84 HG CYS 9 HG CYS 9 -5.307 2.898 -4.966 85 HA PRO 10 HA PRO 10 -7.702 6.930 -10.134 86 HB2 PRO 10 2HB PRO 10 -9.746 8.659 -9.682 87 HB3 PRO 10 3HB PRO 10 -9.987 6.920 -9.888 88 HG2 PRO 10 2HG PRO 10 -9.853 8.528 -7.366 89 HG3 PRO 10 3HG PRO 10 -10.969 7.221 -7.802 90 HD2 PRO 10 2HD PRO 10 -8.826 6.831 -6.194 91 HD3 PRO 10 3HD PRO 10 -9.441 5.574 -7.287 92 H LEU 11 H LEU 11 -6.783 8.500 -7.287 93 HA LEU 11 HA LEU 11 -6.667 11.187 -8.087 94 HB2 LEU 11 2HB LEU 11 -5.410 9.521 -6.002 95 HB3 LEU 11 3HB LEU 11 -4.563 11.010 -6.416 96 HG LEU 11 HG LEU 11 -7.474 11.142 -5.781 97 HD11 LEU 11 1HD1 LEU 11 -6.988 9.984 -3.877 98 HD12 LEU 11 2HD1 LEU 11 -6.537 11.609 -3.361 99 HD13 LEU 11 3HD1 LEU 11 -5.292 10.471 -3.877 100 HD21 LEU 11 3HD2 LEU 11 -5.085 12.946 -5.514 101 HD22 LEU 11 1HD2 LEU 11 -6.627 13.296 -4.733 102 HD23 LEU 11 2HD2 LEU 11 -6.536 13.179 -6.491 103 H PHE 12 H PHE 12 -4.304 8.562 -8.382 104 HA PHE 12 HA PHE 12 -2.343 10.225 -9.656 105 HB2 PHE 12 2HB PHE 12 -2.505 7.504 -8.663 106 HB3 PHE 12 3HB PHE 12 -1.718 7.564 -10.237 107 HD1 PHE 12 HD2 PHE 12 -1.679 9.564 -7.082 108 HD2 PHE 12 HD1 PHE 12 0.562 7.689 -10.177 109 HE1 PHE 12 HE2 PHE 12 0.411 10.288 -6.003 110 HE2 PHE 12 HE1 PHE 12 2.655 8.410 -9.103 111 HZ PHE 12 HZ PHE 12 2.581 9.712 -7.014 112 H GLY 13 H GLY 13 -3.151 11.121 -11.512 113 HA2 GLY 13 2HA GLY 13 -4.433 9.418 -13.497 114 HA3 GLY 13 3HA GLY 13 -4.243 11.163 -13.587 115 H LYS 14 H LYS 14 -2.645 11.984 -14.801 116 HA LYS 14 HA LYS 14 -0.632 10.099 -15.843 117 HB2 LYS 14 2HB LYS 14 -1.649 12.514 -17.333 118 HB3 LYS 14 3HB LYS 14 -0.710 11.167 -17.963 119 HG2 LYS 14 2HG LYS 14 -2.653 10.361 -18.684 120 HG3 LYS 14 3HG LYS 14 -2.959 9.930 -17.000 121 HD2 LYS 14 2HD LYS 14 -4.867 11.118 -17.577 122 HD3 LYS 14 3HD LYS 14 -3.868 12.348 -16.800 123 HE2 LYS 14 2HE LYS 14 -4.575 13.443 -18.705 124 HE3 LYS 14 3HE LYS 14 -3.016 12.798 -19.216 125 HZ1 LYS 14 3HZ LYS 14 -5.714 11.993 -20.016 126 HZ2 LYS 14 1HZ LYS 14 -4.521 10.795 -19.952 127 HZ3 LYS 14 2HZ LYS 14 -4.311 12.145 -20.950 128 H GLY 15 H GLY 15 -0.587 11.990 -13.515 129 HA2 GLY 15 2HA GLY 15 1.547 13.814 -14.409 130 HA3 GLY 15 3HA GLY 15 0.593 14.012 -12.946 131 H GLY 16 H GLY 16 2.159 11.054 -14.089 132 HA2 GLY 16 2HA GLY 16 3.768 9.728 -13.129 133 HA3 GLY 16 3HA GLY 16 4.488 11.219 -12.538 Start of MODEL 15 1 H1 VAL 1 H VAL 1 -0.157 -1.115 1.880 2 HA VAL 1 HA VAL 1 0.869 1.014 0.840 3 HB VAL 1 HB VAL 1 3.010 0.651 -0.247 4 HG11 VAL 1 1HG1 VAL 1 3.758 -0.269 2.433 5 HG12 VAL 1 2HG1 VAL 1 4.182 1.217 1.582 6 HG13 VAL 1 3HG1 VAL 1 2.632 1.087 2.414 7 HG21 VAL 1 3HG2 VAL 1 2.858 -2.092 0.992 8 HG22 VAL 1 1HG2 VAL 1 2.938 -1.686 -0.723 9 HG23 VAL 1 2HG2 VAL 1 4.333 -1.400 0.317 10 H ALA 2 H ALA 2 0.158 1.309 -1.198 11 HA ALA 2 HA ALA 2 -0.643 -1.094 -2.694 12 HB1 ALA 2 1HB ALA 2 -1.801 1.326 -3.720 13 HB2 ALA 2 2HB ALA 2 -2.595 -0.103 -3.058 14 HB3 ALA 2 3HB ALA 2 -2.083 1.199 -1.984 15 H ARG 3 H ARG 3 1.133 -1.548 -3.924 16 HA ARG 3 HA ARG 3 2.814 0.311 -5.164 17 HB2 ARG 3 2HB ARG 3 2.191 -2.487 -6.124 18 HB3 ARG 3 3HB ARG 3 3.626 -1.543 -6.502 19 HG2 ARG 3 2HG ARG 3 4.614 -2.536 -4.786 20 HG3 ARG 3 3HG ARG 3 3.548 -1.610 -3.727 21 HD2 ARG 3 2HD ARG 3 1.898 -3.622 -4.406 22 HD3 ARG 3 3HD ARG 3 3.448 -4.454 -4.514 23 HE ARG 3 HE ARG 3 3.520 -3.144 -2.113 24 HH11 ARG 3 1HH1 ARG 3 1.407 -5.471 -3.609 25 HH12 ARG 3 2HH1 ARG 3 0.937 -6.203 -2.110 26 HH21 ARG 3 1HH2 ARG 3 2.909 -4.099 -0.133 27 HH22 ARG 3 2HH2 ARG 3 1.791 -5.421 -0.134 28 H GLY 4 H GLY 4 -0.296 -0.936 -6.088 29 HA2 GLY 4 2HA GLY 4 -0.067 0.049 -8.817 30 HA3 GLY 4 3HA GLY 4 -1.454 -0.772 -8.115 31 H TRP 5 H TRP 5 0.068 2.267 -8.732 32 HA TRP 5 HA TRP 5 -1.970 3.744 -7.259 33 HB2 TRP 5 2HB TRP 5 0.624 4.440 -8.565 34 HB3 TRP 5 3HB TRP 5 -0.582 5.710 -8.372 35 HD1 TRP 5 HD1 TRP 5 1.891 3.612 -6.408 36 HE1 TRP 5 HE1 TRP 5 2.001 4.482 -3.988 37 HE3 TRP 5 HE3 TRP 5 -2.056 6.859 -6.534 38 HZ2 TRP 5 HZ2 TRP 5 0.599 6.303 -2.349 39 HZ3 TRP 5 HZ3 TRP 5 -2.606 8.126 -4.497 40 HH2 TRP 5 HH2 TRP 5 -1.305 7.852 -2.449 41 H LYS 6 H LYS 6 -2.056 2.187 -10.029 42 HA LYS 6 HA LYS 6 -3.601 4.282 -11.411 43 HB2 LYS 6 2HB LYS 6 -3.021 3.207 -13.531 44 HB3 LYS 6 3HB LYS 6 -1.576 3.701 -12.659 45 HG2 LYS 6 2HG LYS 6 -2.362 0.981 -12.029 46 HG3 LYS 6 3HG LYS 6 -2.063 1.219 -13.752 47 HD2 LYS 6 2HD LYS 6 -0.135 2.222 -11.684 48 HD3 LYS 6 3HD LYS 6 -0.083 0.551 -12.249 49 HE2 LYS 6 2HE LYS 6 0.579 1.144 -14.365 50 HE3 LYS 6 3HE LYS 6 -0.159 2.742 -14.265 51 HZ1 LYS 6 3HZ LYS 6 1.756 2.813 -12.347 52 HZ2 LYS 6 1HZ LYS 6 1.904 3.459 -13.903 53 HZ3 LYS 6 2HZ LYS 6 2.499 1.911 -13.570 54 H ARG 7 H ARG 7 -4.312 2.099 -9.419 55 HA ARG 7 HA ARG 7 -6.395 0.803 -11.053 56 HB2 ARG 7 2HB ARG 7 -4.824 -0.248 -8.709 57 HB3 ARG 7 3HB ARG 7 -6.361 -0.958 -9.185 58 HG2 ARG 7 2HG ARG 7 -5.359 -2.164 -10.743 59 HG3 ARG 7 3HG ARG 7 -4.699 -0.708 -11.490 60 HD2 ARG 7 2HD ARG 7 -2.859 -2.106 -10.928 61 HD3 ARG 7 3HD ARG 7 -2.871 -0.771 -9.776 62 HE ARG 7 HE ARG 7 -4.293 -2.745 -8.543 63 HH11 ARG 7 1HH1 ARG 7 -1.113 -2.513 -9.939 64 HH12 ARG 7 2HH1 ARG 7 -0.413 -3.676 -8.863 65 HH21 ARG 7 1HH2 ARG 7 -3.384 -4.277 -7.119 66 HH22 ARG 7 2HH2 ARG 7 -1.706 -4.680 -7.260 67 H LYS 8 H LYS 8 -5.936 1.023 -7.544 68 HA LYS 8 HA LYS 8 -8.662 2.066 -7.314 69 HB2 LYS 8 2HB LYS 8 -8.451 1.467 -4.921 70 HB3 LYS 8 3HB LYS 8 -8.194 0.094 -5.989 71 HG2 LYS 8 2HG LYS 8 -5.687 1.357 -5.471 72 HG3 LYS 8 3HG LYS 8 -6.515 1.046 -3.944 73 HD2 LYS 8 2HD LYS 8 -6.492 -1.120 -5.979 74 HD3 LYS 8 3HD LYS 8 -4.989 -0.782 -5.116 75 HE2 LYS 8 2HE LYS 8 -5.893 -1.356 -3.060 76 HE3 LYS 8 3HE LYS 8 -7.551 -1.106 -3.606 77 HZ1 LYS 8 3HZ LYS 8 -6.388 -3.132 -5.158 78 HZ2 LYS 8 1HZ LYS 8 -7.688 -3.247 -4.082 79 HZ3 LYS 8 2HZ LYS 8 -6.109 -3.493 -3.529 80 H CYS 9 H CYS 9 -5.762 3.382 -7.717 81 HA CYS 9 HA CYS 9 -6.314 5.617 -5.878 82 HB2 CYS 9 2HB CYS 9 -3.587 4.872 -6.937 83 HB3 CYS 9 3HB CYS 9 -3.966 6.031 -5.669 84 HG CYS 9 HG CYS 9 -4.521 4.248 -3.725 85 HA PRO 10 HA PRO 10 -6.692 7.141 -10.237 86 HB2 PRO 10 2HB PRO 10 -8.903 8.643 -9.760 87 HB3 PRO 10 3HB PRO 10 -8.979 6.926 -10.174 88 HG2 PRO 10 2HG PRO 10 -9.159 8.237 -7.488 89 HG3 PRO 10 3HG PRO 10 -10.126 6.907 -8.151 90 HD2 PRO 10 2HD PRO 10 -8.074 6.500 -6.432 91 HD3 PRO 10 3HD PRO 10 -8.502 5.335 -7.701 92 H LEU 11 H LEU 11 -4.653 8.181 -9.218 93 HA LEU 11 HA LEU 11 -5.219 11.029 -8.712 94 HB2 LEU 11 2HB LEU 11 -3.415 9.127 -7.375 95 HB3 LEU 11 3HB LEU 11 -2.719 10.708 -7.724 96 HG LEU 11 HG LEU 11 -5.205 10.195 -6.091 97 HD11 LEU 11 1HD1 LEU 11 -2.421 10.142 -5.420 98 HD12 LEU 11 2HD1 LEU 11 -3.824 9.848 -4.394 99 HD13 LEU 11 3HD1 LEU 11 -3.211 11.489 -4.600 100 HD21 LEU 11 3HD2 LEU 11 -4.858 12.640 -5.511 101 HD22 LEU 11 1HD2 LEU 11 -5.480 12.294 -7.125 102 HD23 LEU 11 2HD2 LEU 11 -3.781 12.715 -6.906 103 H PHE 12 H PHE 12 -2.450 8.994 -9.679 104 HA PHE 12 HA PHE 12 -1.670 11.051 -11.604 105 HB2 PHE 12 2HB PHE 12 -0.146 8.539 -10.914 106 HB3 PHE 12 3HB PHE 12 0.471 10.002 -11.674 107 HD1 PHE 12 HD2 PHE 12 -0.681 8.513 -8.519 108 HD2 PHE 12 HD1 PHE 12 1.110 11.897 -10.379 109 HE1 PHE 12 HE2 PHE 12 -0.034 9.381 -6.310 110 HE2 PHE 12 HE1 PHE 12 1.761 12.770 -8.173 111 HZ PHE 12 HZ PHE 12 1.188 11.512 -6.134 112 H GLY 13 H GLY 13 -3.988 9.303 -12.046 113 HA2 GLY 13 2HA GLY 13 -3.304 7.300 -13.953 114 HA3 GLY 13 3HA GLY 13 -4.908 7.962 -13.675 115 H LYS 14 H LYS 14 -4.036 10.716 -14.183 116 HA LYS 14 HA LYS 14 -3.741 10.532 -17.110 117 HB2 LYS 14 2HB LYS 14 -4.924 12.800 -17.077 118 HB3 LYS 14 3HB LYS 14 -5.899 11.382 -16.718 119 HG2 LYS 14 2HG LYS 14 -4.673 12.741 -14.404 120 HG3 LYS 14 3HG LYS 14 -5.949 13.619 -15.252 121 HD2 LYS 14 2HD LYS 14 -6.396 10.755 -14.562 122 HD3 LYS 14 3HD LYS 14 -6.509 11.963 -13.280 123 HE2 LYS 14 2HE LYS 14 -7.917 12.732 -15.715 124 HE3 LYS 14 3HE LYS 14 -8.527 11.238 -15.005 125 HZ1 LYS 14 3HZ LYS 14 -8.169 12.995 -12.905 126 HZ2 LYS 14 1HZ LYS 14 -9.638 12.490 -13.575 127 HZ3 LYS 14 2HZ LYS 14 -8.898 13.905 -14.131 128 H GLY 15 H GLY 15 -1.647 10.766 -15.003 129 HA2 GLY 15 2HA GLY 15 -0.543 13.405 -15.734 130 HA3 GLY 15 3HA GLY 15 -0.119 12.514 -14.279 131 H GLY 16 H GLY 16 0.611 10.105 -14.994 132 HA2 GLY 16 2HA GLY 16 1.852 9.102 -16.979 133 HA3 GLY 16 3HA GLY 16 2.806 10.576 -16.909 Start of MODEL 16 1 H1 VAL 1 H VAL 1 1.281 -1.981 0.695 2 HA VAL 1 HA VAL 1 1.329 0.917 1.165 3 HB VAL 1 HB VAL 1 3.279 0.980 -0.302 4 HG11 VAL 1 1HG1 VAL 1 4.762 0.251 1.273 5 HG12 VAL 1 2HG1 VAL 1 3.280 0.204 2.229 6 HG13 VAL 1 3HG1 VAL 1 3.920 -1.278 1.519 7 HG21 VAL 1 3HG2 VAL 1 3.003 -2.018 -0.489 8 HG22 VAL 1 1HG2 VAL 1 2.601 -0.883 -1.777 9 HG23 VAL 1 2HG2 VAL 1 4.267 -1.027 -1.218 10 H ALA 2 H ALA 2 1.383 2.304 -0.810 11 HA ALA 2 HA ALA 2 -0.784 1.509 -2.585 12 HB1 ALA 2 1HB ALA 2 -0.901 3.822 -3.225 13 HB2 ALA 2 2HB ALA 2 -0.799 3.724 -1.467 14 HB3 ALA 2 3HB ALA 2 0.624 4.168 -2.410 15 H ARG 3 H ARG 3 1.277 -0.050 -3.204 16 HA ARG 3 HA ARG 3 3.196 0.908 -4.990 17 HB2 ARG 3 2HB ARG 3 3.288 -1.448 -5.824 18 HB3 ARG 3 3HB ARG 3 3.414 -1.298 -4.076 19 HG2 ARG 3 2HG ARG 3 1.108 -1.959 -3.812 20 HG3 ARG 3 3HG ARG 3 0.894 -2.006 -5.563 21 HD2 ARG 3 2HD ARG 3 2.852 -3.715 -4.037 22 HD3 ARG 3 3HD ARG 3 1.240 -4.240 -4.521 23 HE ARG 3 HE ARG 3 2.474 -3.358 -6.822 24 HH11 ARG 3 1HH1 ARG 3 3.046 -5.804 -4.411 25 HH12 ARG 3 2HH1 ARG 3 3.845 -6.882 -5.507 26 HH21 ARG 3 1HH2 ARG 3 3.525 -4.769 -8.274 27 HH22 ARG 3 2HH2 ARG 3 4.118 -6.292 -7.704 28 H GLY 4 H GLY 4 -0.170 0.078 -5.467 29 HA2 GLY 4 2HA GLY 4 0.126 0.693 -8.341 30 HA3 GLY 4 3HA GLY 4 -1.130 -0.339 -7.674 31 H TRP 5 H TRP 5 -0.220 2.849 -8.497 32 HA TRP 5 HA TRP 5 -2.427 4.069 -7.042 33 HB2 TRP 5 2HB TRP 5 -0.079 5.073 -8.580 34 HB3 TRP 5 3HB TRP 5 -1.494 6.116 -8.469 35 HD1 TRP 5 HD1 TRP 5 1.204 4.499 -6.265 36 HE1 TRP 5 HE1 TRP 5 1.304 5.776 -4.033 37 HE3 TRP 5 HE3 TRP 5 -2.831 7.573 -6.908 38 HZ2 TRP 5 HZ2 TRP 5 -0.137 7.816 -2.718 39 HZ3 TRP 5 HZ3 TRP 5 -3.403 9.158 -5.115 40 HH2 TRP 5 HH2 TRP 5 -2.083 9.275 -3.064 41 H LYS 6 H LYS 6 -2.429 2.211 -9.595 42 HA LYS 6 HA LYS 6 -4.346 3.863 -11.108 43 HB2 LYS 6 2HB LYS 6 -2.814 1.521 -12.229 44 HB3 LYS 6 3HB LYS 6 -3.725 2.739 -13.112 45 HG2 LYS 6 2HG LYS 6 -1.756 3.719 -13.453 46 HG3 LYS 6 3HG LYS 6 -1.869 4.245 -11.772 47 HD2 LYS 6 2HD LYS 6 -0.546 2.414 -11.026 48 HD3 LYS 6 3HD LYS 6 -0.635 1.625 -12.603 49 HE2 LYS 6 2HE LYS 6 0.484 3.847 -13.429 50 HE3 LYS 6 3HE LYS 6 0.977 3.984 -11.742 51 HZ1 LYS 6 3HZ LYS 6 2.042 1.834 -11.899 52 HZ2 LYS 6 1HZ LYS 6 2.649 2.865 -13.096 53 HZ3 LYS 6 2HZ LYS 6 1.535 1.660 -13.504 54 H ARG 7 H ARG 7 -4.638 1.944 -8.768 55 HA ARG 7 HA ARG 7 -6.645 0.181 -10.015 56 HB2 ARG 7 2HB ARG 7 -4.715 -0.316 -7.777 57 HB3 ARG 7 3HB ARG 7 -6.240 -1.190 -7.826 58 HG2 ARG 7 2HG ARG 7 -5.204 -2.673 -9.112 59 HG3 ARG 7 3HG ARG 7 -5.251 -1.458 -10.390 60 HD2 ARG 7 2HD ARG 7 -3.072 -0.668 -8.962 61 HD3 ARG 7 3HD ARG 7 -2.999 -2.420 -8.775 62 HE ARG 7 HE ARG 7 -2.426 -0.929 -11.131 63 HH11 ARG 7 1HH1 ARG 7 -3.727 -3.950 -9.989 64 HH12 ARG 7 2HH1 ARG 7 -3.320 -4.820 -11.430 65 HH21 ARG 7 1HH2 ARG 7 -1.885 -2.064 -13.034 66 HH22 ARG 7 2HH2 ARG 7 -2.272 -3.747 -13.162 67 H LYS 8 H LYS 8 -5.977 0.997 -6.629 68 HA LYS 8 HA LYS 8 -8.789 1.779 -6.337 69 HB2 LYS 8 2HB LYS 8 -6.813 1.284 -4.114 70 HB3 LYS 8 3HB LYS 8 -8.568 1.325 -4.008 71 HG2 LYS 8 2HG LYS 8 -8.566 -0.876 -4.222 72 HG3 LYS 8 3HG LYS 8 -7.984 -0.669 -5.875 73 HD2 LYS 8 2HD LYS 8 -6.345 -2.030 -5.023 74 HD3 LYS 8 3HD LYS 8 -5.653 -0.443 -4.679 75 HE2 LYS 8 2HE LYS 8 -6.573 -0.560 -2.401 76 HE3 LYS 8 3HE LYS 8 -7.216 -2.163 -2.754 77 HZ1 LYS 8 3HZ LYS 8 -4.521 -2.206 -3.418 78 HZ2 LYS 8 1HZ LYS 8 -5.279 -2.996 -2.128 79 HZ3 LYS 8 2HZ LYS 8 -4.624 -1.452 -1.907 80 H CYS 9 H CYS 9 -6.164 3.327 -7.183 81 HA CYS 9 HA CYS 9 -6.730 5.677 -5.497 82 HB2 CYS 9 2HB CYS 9 -4.096 5.148 -6.870 83 HB3 CYS 9 3HB CYS 9 -4.447 6.339 -5.624 84 HG CYS 9 HG CYS 9 -5.210 3.634 -4.164 85 HA PRO 10 HA PRO 10 -7.906 6.747 -9.825 86 HB2 PRO 10 2HB PRO 10 -10.062 8.229 -9.099 87 HB3 PRO 10 3HB PRO 10 -10.129 6.476 -9.310 88 HG2 PRO 10 2HG PRO 10 -9.875 8.072 -6.790 89 HG3 PRO 10 3HG PRO 10 -10.882 6.650 -7.117 90 HD2 PRO 10 2HD PRO 10 -8.531 6.496 -5.782 91 HD3 PRO 10 3HD PRO 10 -9.128 5.184 -6.819 92 H LEU 11 H LEU 11 -6.835 8.394 -7.075 93 HA LEU 11 HA LEU 11 -7.113 11.082 -7.857 94 HB2 LEU 11 2HB LEU 11 -4.823 9.992 -6.246 95 HB3 LEU 11 3HB LEU 11 -5.541 11.600 -6.169 96 HG LEU 11 HG LEU 11 -7.643 9.966 -5.487 97 HD11 LEU 11 1HD1 LEU 11 -5.520 8.277 -5.317 98 HD12 LEU 11 2HD1 LEU 11 -7.002 8.131 -4.373 99 HD13 LEU 11 3HD1 LEU 11 -5.588 8.924 -3.678 100 HD21 LEU 11 3HD2 LEU 11 -5.718 11.106 -3.483 101 HD22 LEU 11 1HD2 LEU 11 -7.472 10.961 -3.368 102 HD23 LEU 11 2HD2 LEU 11 -6.755 12.129 -4.479 103 H PHE 12 H PHE 12 -4.511 8.734 -8.388 104 HA PHE 12 HA PHE 12 -3.216 10.644 -10.207 105 HB2 PHE 12 2HB PHE 12 -2.197 8.271 -8.668 106 HB3 PHE 12 3HB PHE 12 -1.309 8.896 -10.054 107 HD1 PHE 12 HD2 PHE 12 -3.024 10.319 -7.055 108 HD2 PHE 12 HD1 PHE 12 0.439 10.268 -9.529 109 HE1 PHE 12 HE2 PHE 12 -1.972 12.012 -5.612 110 HE2 PHE 12 HE1 PHE 12 1.497 11.960 -8.089 111 HZ PHE 12 HZ PHE 12 0.291 12.835 -6.128 112 H GLY 13 H GLY 13 -4.086 10.406 -12.185 113 HA2 GLY 13 2HA GLY 13 -4.538 7.683 -13.202 114 HA3 GLY 13 3HA GLY 13 -5.250 9.149 -13.859 115 H LYS 14 H LYS 14 -2.549 10.483 -13.645 116 HA LYS 14 HA LYS 14 -1.495 9.406 -16.164 117 HB2 LYS 14 2HB LYS 14 -1.671 12.101 -14.964 118 HB3 LYS 14 3HB LYS 14 -0.183 11.757 -15.836 119 HG2 LYS 14 2HG LYS 14 -1.791 12.812 -17.297 120 HG3 LYS 14 3HG LYS 14 -1.492 11.152 -17.817 121 HD2 LYS 14 2HD LYS 14 -3.560 10.409 -16.904 122 HD3 LYS 14 3HD LYS 14 -3.812 11.941 -16.065 123 HE2 LYS 14 2HE LYS 14 -3.790 13.001 -18.396 124 HE3 LYS 14 3HE LYS 14 -3.979 11.359 -19.007 125 HZ1 LYS 14 3HZ LYS 14 -5.837 12.842 -17.234 126 HZ2 LYS 14 1HZ LYS 14 -5.979 11.186 -17.555 127 HZ3 LYS 14 2HZ LYS 14 -6.127 12.307 -18.812 128 H GLY 15 H GLY 15 0.268 8.189 -16.073 129 HA2 GLY 15 2HA GLY 15 1.989 8.354 -13.704 130 HA3 GLY 15 3HA GLY 15 1.953 7.034 -14.863 131 H GLY 16 H GLY 16 2.254 10.516 -15.470 132 HA2 GLY 16 2HA GLY 16 4.188 11.701 -16.086 133 HA3 GLY 16 3HA GLY 16 5.059 10.179 -16.195 Start of MODEL 17 1 H1 VAL 1 H VAL 1 6.855 -4.668 -5.881 2 HA VAL 1 HA VAL 1 5.957 -4.426 -3.089 3 HB VAL 1 HB VAL 1 5.660 -1.974 -3.471 4 HG11 VAL 1 1HG1 VAL 1 7.495 -2.528 -2.140 5 HG12 VAL 1 2HG1 VAL 1 8.382 -3.233 -3.493 6 HG13 VAL 1 3HG1 VAL 1 8.180 -1.484 -3.385 7 HG21 VAL 1 3HG2 VAL 1 5.918 -1.111 -5.501 8 HG22 VAL 1 1HG2 VAL 1 7.611 -1.606 -5.502 9 HG23 VAL 1 2HG2 VAL 1 6.372 -2.697 -6.123 10 H ALA 2 H ALA 2 3.786 -3.775 -2.799 11 HA ALA 2 HA ALA 2 2.110 -4.116 -5.200 12 HB1 ALA 2 1HB ALA 2 0.347 -4.857 -3.502 13 HB2 ALA 2 2HB ALA 2 1.670 -5.971 -3.844 14 HB3 ALA 2 3HB ALA 2 1.687 -5.009 -2.367 15 H ARG 3 H ARG 3 1.807 -1.996 -5.764 16 HA ARG 3 HA ARG 3 0.586 -0.246 -3.733 17 HB2 ARG 3 2HB ARG 3 2.042 0.543 -6.264 18 HB3 ARG 3 3HB ARG 3 1.364 1.649 -5.077 19 HG2 ARG 3 2HG ARG 3 3.147 -0.210 -3.805 20 HG3 ARG 3 3HG ARG 3 3.950 0.603 -5.150 21 HD2 ARG 3 2HD ARG 3 3.079 2.772 -4.197 22 HD3 ARG 3 3HD ARG 3 2.600 1.855 -2.769 23 HE ARG 3 HE ARG 3 5.247 2.681 -3.481 24 HH11 ARG 3 1HH1 ARG 3 3.390 0.282 -1.775 25 HH12 ARG 3 2HH1 ARG 3 4.676 -0.132 -0.690 26 HH21 ARG 3 1HH2 ARG 3 6.949 2.146 -2.059 27 HH22 ARG 3 2HH2 ARG 3 6.700 0.930 -0.852 28 H GLY 4 H GLY 4 -1.560 -0.274 -3.938 29 HA2 GLY 4 2HA GLY 4 -2.741 -0.534 -6.612 30 HA3 GLY 4 3HA GLY 4 -3.581 -0.775 -5.087 31 H TRP 5 H TRP 5 -1.828 1.823 -6.790 32 HA TRP 5 HA TRP 5 -3.924 3.682 -5.876 33 HB2 TRP 5 2HB TRP 5 -0.976 3.991 -6.238 34 HB3 TRP 5 3HB TRP 5 -2.004 5.393 -6.521 35 HD1 TRP 5 HD1 TRP 5 -0.622 3.211 -3.746 36 HE1 TRP 5 HE1 TRP 5 -1.224 4.256 -1.472 37 HE3 TRP 5 HE3 TRP 5 -3.853 6.835 -5.348 38 HZ2 TRP 5 HZ2 TRP 5 -2.854 6.341 -0.488 39 HZ3 TRP 5 HZ3 TRP 5 -4.891 8.312 -3.676 40 HH2 TRP 5 HH2 TRP 5 -4.401 8.068 -1.297 41 H LYS 6 H LYS 6 -3.271 1.925 -8.444 42 HA LYS 6 HA LYS 6 -3.982 4.055 -10.353 43 HB2 LYS 6 2HB LYS 6 -2.897 2.678 -12.105 44 HB3 LYS 6 3HB LYS 6 -1.771 3.220 -10.867 45 HG2 LYS 6 2HG LYS 6 -2.963 0.610 -10.316 46 HG3 LYS 6 3HG LYS 6 -1.996 0.666 -11.791 47 HD2 LYS 6 2HD LYS 6 -0.792 1.993 -9.459 48 HD3 LYS 6 3HD LYS 6 -0.987 0.245 -9.307 49 HE2 LYS 6 2HE LYS 6 0.001 0.728 -11.899 50 HE3 LYS 6 3HE LYS 6 0.951 1.732 -10.805 51 HZ1 LYS 6 3HZ LYS 6 1.400 -0.242 -9.466 52 HZ2 LYS 6 1HZ LYS 6 1.947 -0.441 -11.054 53 HZ3 LYS 6 2HZ LYS 6 0.520 -1.196 -10.551 54 H ARG 7 H ARG 7 -5.591 2.125 -8.642 55 HA ARG 7 HA ARG 7 -7.152 0.933 -10.840 56 HB2 ARG 7 2HB ARG 7 -6.688 -0.082 -8.036 57 HB3 ARG 7 3HB ARG 7 -7.955 -0.707 -9.083 58 HG2 ARG 7 2HG ARG 7 -6.527 -2.021 -10.156 59 HG3 ARG 7 3HG ARG 7 -5.407 -0.686 -10.434 60 HD2 ARG 7 2HD ARG 7 -4.555 -0.979 -8.129 61 HD3 ARG 7 3HD ARG 7 -5.616 -2.376 -7.945 62 HE ARG 7 HE ARG 7 -3.895 -2.590 -10.220 63 HH11 ARG 7 1HH1 ARG 7 -4.089 -3.024 -6.771 64 HH12 ARG 7 2HH1 ARG 7 -2.833 -4.217 -6.720 65 HH21 ARG 7 1HH2 ARG 7 -2.240 -4.158 -10.165 66 HH22 ARG 7 2HH2 ARG 7 -1.781 -4.860 -8.651 67 H LYS 8 H LYS 8 -7.874 1.380 -7.397 68 HA LYS 8 HA LYS 8 -10.364 2.718 -8.155 69 HB2 LYS 8 2HB LYS 8 -11.101 2.253 -5.876 70 HB3 LYS 8 3HB LYS 8 -10.528 0.782 -6.651 71 HG2 LYS 8 2HG LYS 8 -8.398 2.117 -5.230 72 HG3 LYS 8 3HG LYS 8 -9.770 1.775 -4.173 73 HD2 LYS 8 2HD LYS 8 -9.717 -0.563 -4.810 74 HD3 LYS 8 3HD LYS 8 -8.419 -0.246 -5.963 75 HE2 LYS 8 2HE LYS 8 -7.292 0.750 -3.746 76 HE3 LYS 8 3HE LYS 8 -8.338 -0.465 -3.013 77 HZ1 LYS 8 3HZ LYS 8 -6.845 -1.390 -5.306 78 HZ2 LYS 8 1HZ LYS 8 -7.090 -2.127 -3.803 79 HZ3 LYS 8 2HZ LYS 8 -5.885 -0.953 -3.983 80 H CYS 9 H CYS 9 -7.354 3.685 -7.592 81 HA CYS 9 HA CYS 9 -8.205 6.111 -6.151 82 HB2 CYS 9 2HB CYS 9 -5.398 4.998 -6.175 83 HB3 CYS 9 3HB CYS 9 -6.031 6.293 -5.166 84 HG CYS 9 HG CYS 9 -5.517 3.843 -3.733 85 HA PRO 10 HA PRO 10 -6.894 7.297 -10.435 86 HB2 PRO 10 2HB PRO 10 -8.932 9.049 -10.818 87 HB3 PRO 10 3HB PRO 10 -9.075 7.320 -11.158 88 HG2 PRO 10 2HG PRO 10 -9.991 8.861 -8.760 89 HG3 PRO 10 3HG PRO 10 -10.833 7.585 -9.659 90 HD2 PRO 10 2HD PRO 10 -9.552 7.117 -7.320 91 HD3 PRO 10 3HD PRO 10 -9.665 5.899 -8.607 92 H LEU 11 H LEU 11 -5.214 8.205 -8.809 93 HA LEU 11 HA LEU 11 -5.557 11.128 -8.662 94 HB2 LEU 11 2HB LEU 11 -4.590 9.175 -6.689 95 HB3 LEU 11 3HB LEU 11 -3.604 10.626 -6.847 96 HG LEU 11 HG LEU 11 -6.552 10.588 -6.204 97 HD11 LEU 11 1HD1 LEU 11 -4.184 10.294 -4.549 98 HD12 LEU 11 2HD1 LEU 11 -5.884 10.049 -4.150 99 HD13 LEU 11 3HD1 LEU 11 -5.183 11.665 -4.068 100 HD21 LEU 11 3HD2 LEU 11 -6.559 12.822 -6.359 101 HD22 LEU 11 1HD2 LEU 11 -5.116 12.607 -7.352 102 HD23 LEU 11 2HD2 LEU 11 -4.958 12.974 -5.634 103 H PHE 12 H PHE 12 -2.922 8.722 -8.538 104 HA PHE 12 HA PHE 12 -1.258 10.527 -10.123 105 HB2 PHE 12 2HB PHE 12 -0.458 7.912 -8.837 106 HB3 PHE 12 3HB PHE 12 0.611 9.169 -9.451 107 HD1 PHE 12 HD1 PHE 12 -1.759 8.290 -6.776 108 HD2 PHE 12 HD2 PHE 12 1.159 11.071 -8.142 109 HE1 PHE 12 HE1 PHE 12 -1.708 9.327 -4.545 110 HE2 PHE 12 HE2 PHE 12 1.216 12.111 -5.913 111 HZ PHE 12 HZ PHE 12 -0.218 11.239 -4.111 112 H GLY 13 H GLY 13 -3.500 9.066 -11.310 113 HA2 GLY 13 2HA GLY 13 -2.580 6.829 -12.778 114 HA3 GLY 13 3HA GLY 13 -3.984 7.810 -13.172 115 H LYS 14 H LYS 14 -3.204 10.145 -13.940 116 HA LYS 14 HA LYS 14 -2.053 9.789 -16.462 117 HB2 LYS 14 2HB LYS 14 -2.305 12.323 -14.832 118 HB3 LYS 14 3HB LYS 14 -1.947 12.260 -16.552 119 HG2 LYS 14 2HG LYS 14 -4.356 10.792 -15.802 120 HG3 LYS 14 3HG LYS 14 -4.431 12.521 -15.456 121 HD2 LYS 14 2HD LYS 14 -3.298 11.892 -18.078 122 HD3 LYS 14 3HD LYS 14 -4.969 11.358 -17.879 123 HE2 LYS 14 2HE LYS 14 -5.123 13.833 -16.819 124 HE3 LYS 14 3HE LYS 14 -3.843 14.082 -18.006 125 HZ1 LYS 14 3HZ LYS 14 -6.652 13.322 -18.443 126 HZ2 LYS 14 1HZ LYS 14 -5.480 12.881 -19.581 127 HZ3 LYS 14 2HZ LYS 14 -5.733 14.513 -19.217 128 H GLY 15 H GLY 15 -0.017 9.409 -17.017 129 HA2 GLY 15 2HA GLY 15 2.118 10.059 -15.116 130 HA3 GLY 15 3HA GLY 15 2.248 8.954 -16.476 131 H GLY 16 H GLY 16 3.247 9.661 -18.251 132 HA2 GLY 16 2HA GLY 16 4.295 12.334 -18.308 133 HA3 GLY 16 3HA GLY 16 4.542 11.090 -19.525 Start of MODEL 18 1 H1 VAL 1 H VAL 1 7.525 3.064 -3.202 2 HA VAL 1 HA VAL 1 6.194 4.127 -4.981 3 HB VAL 1 HB VAL 1 5.967 2.207 -6.537 4 HG11 VAL 1 1HG1 VAL 1 8.186 3.401 -5.794 5 HG12 VAL 1 2HG1 VAL 1 8.566 1.809 -5.136 6 HG13 VAL 1 3HG1 VAL 1 8.228 1.995 -6.857 7 HG21 VAL 1 3HG2 VAL 1 5.248 0.600 -4.732 8 HG22 VAL 1 1HG2 VAL 1 6.444 -0.020 -5.871 9 HG23 VAL 1 2HG2 VAL 1 6.944 0.496 -4.260 10 H ALA 2 H ALA 2 4.268 3.470 -6.477 11 HA ALA 2 HA ALA 2 1.945 2.986 -4.729 12 HB1 ALA 2 1HB ALA 2 1.388 4.272 -7.288 13 HB2 ALA 2 2HB ALA 2 0.883 4.720 -5.658 14 HB3 ALA 2 3HB ALA 2 2.472 5.202 -6.252 15 H ARG 3 H ARG 3 1.518 0.854 -4.966 16 HA ARG 3 HA ARG 3 1.371 -0.244 -7.687 17 HB2 ARG 3 2HB ARG 3 1.960 -1.395 -5.017 18 HB3 ARG 3 3HB ARG 3 1.060 -2.415 -6.131 19 HG2 ARG 3 2HG ARG 3 2.808 -2.364 -7.731 20 HG3 ARG 3 3HG ARG 3 3.656 -1.087 -6.856 21 HD2 ARG 3 2HD ARG 3 3.550 -2.918 -4.919 22 HD3 ARG 3 3HD ARG 3 3.508 -3.996 -6.313 23 HE ARG 3 HE ARG 3 5.584 -2.030 -6.482 24 HH11 ARG 3 1HH1 ARG 3 4.716 -5.134 -5.167 25 HH12 ARG 3 2HH1 ARG 3 6.353 -5.688 -5.050 26 HH21 ARG 3 1HH2 ARG 3 7.744 -2.748 -6.334 27 HH22 ARG 3 2HH2 ARG 3 8.075 -4.330 -5.713 28 H GLY 4 H GLY 4 -0.498 0.437 -4.820 29 HA2 GLY 4 2HA GLY 4 -2.879 -0.722 -6.127 30 HA3 GLY 4 3HA GLY 4 -2.697 -0.523 -4.390 31 H TRP 5 H TRP 5 -1.787 1.916 -6.740 32 HA TRP 5 HA TRP 5 -4.021 3.578 -5.773 33 HB2 TRP 5 2HB TRP 5 -1.138 4.212 -6.238 34 HB3 TRP 5 3HB TRP 5 -2.333 5.477 -6.509 35 HD1 TRP 5 HD1 TRP 5 -0.564 3.586 -3.756 36 HE1 TRP 5 HE1 TRP 5 -1.225 4.585 -1.478 37 HE3 TRP 5 HE3 TRP 5 -4.361 6.649 -5.284 38 HZ2 TRP 5 HZ2 TRP 5 -3.107 6.428 -0.463 39 HZ3 TRP 5 HZ3 TRP 5 -5.541 7.996 -3.597 40 HH2 TRP 5 HH2 TRP 5 -4.926 7.886 -1.237 41 H LYS 6 H LYS 6 -3.237 1.821 -8.302 42 HA LYS 6 HA LYS 6 -4.229 3.793 -10.255 43 HB2 LYS 6 2HB LYS 6 -3.011 2.581 -11.993 44 HB3 LYS 6 3HB LYS 6 -1.915 3.143 -10.737 45 HG2 LYS 6 2HG LYS 6 -2.887 0.479 -10.178 46 HG3 LYS 6 3HG LYS 6 -2.105 0.574 -11.758 47 HD2 LYS 6 2HD LYS 6 -0.279 1.904 -10.420 48 HD3 LYS 6 3HD LYS 6 -0.970 1.049 -9.039 49 HE2 LYS 6 2HE LYS 6 -0.406 -1.048 -9.912 50 HE3 LYS 6 3HE LYS 6 -0.168 -0.407 -11.537 51 HZ1 LYS 6 3HZ LYS 6 1.945 0.066 -11.094 52 HZ2 LYS 6 1HZ LYS 6 1.784 -0.873 -9.695 53 HZ3 LYS 6 2HZ LYS 6 1.574 0.803 -9.617 54 H ARG 7 H ARG 7 -5.583 1.772 -8.447 55 HA ARG 7 HA ARG 7 -7.035 0.321 -10.563 56 HB2 ARG 7 2HB ARG 7 -6.121 -0.538 -7.860 57 HB3 ARG 7 3HB ARG 7 -7.658 -1.161 -8.442 58 HG2 ARG 7 2HG ARG 7 -6.660 -2.604 -9.803 59 HG3 ARG 7 3HG ARG 7 -5.588 -1.363 -10.454 60 HD2 ARG 7 2HD ARG 7 -4.024 -2.673 -9.456 61 HD3 ARG 7 3HD ARG 7 -4.444 -1.664 -8.072 62 HE ARG 7 HE ARG 7 -6.165 -3.744 -7.873 63 HH11 ARG 7 1HH1 ARG 7 -2.708 -3.513 -8.213 64 HH12 ARG 7 2HH1 ARG 7 -2.393 -4.976 -7.341 65 HH21 ARG 7 1HH2 ARG 7 -5.764 -5.673 -6.723 66 HH22 ARG 7 2HH2 ARG 7 -4.132 -6.205 -6.495 67 H LYS 8 H LYS 8 -7.754 0.824 -7.128 68 HA LYS 8 HA LYS 8 -10.387 1.849 -7.890 69 HB2 LYS 8 2HB LYS 8 -10.954 1.475 -5.494 70 HB3 LYS 8 3HB LYS 8 -10.443 0.015 -6.331 71 HG2 LYS 8 2HG LYS 8 -8.263 1.451 -5.019 72 HG3 LYS 8 3HG LYS 8 -9.508 0.860 -3.916 73 HD2 LYS 8 2HD LYS 8 -8.754 -1.097 -5.941 74 HD3 LYS 8 3HD LYS 8 -7.402 -0.607 -4.918 75 HE2 LYS 8 2HE LYS 8 -8.310 -1.523 -3.046 76 HE3 LYS 8 3HE LYS 8 -9.965 -1.202 -3.561 77 HZ1 LYS 8 3HZ LYS 8 -9.443 -3.576 -3.530 78 HZ2 LYS 8 1HZ LYS 8 -8.219 -3.332 -4.672 79 HZ3 LYS 8 2HZ LYS 8 -9.834 -3.047 -5.088 80 H CYS 9 H CYS 9 -7.489 3.160 -7.411 81 HA CYS 9 HA CYS 9 -8.588 5.540 -6.064 82 HB2 CYS 9 2HB CYS 9 -5.676 4.741 -6.073 83 HB3 CYS 9 3HB CYS 9 -6.444 5.996 -5.107 84 HG CYS 9 HG CYS 9 -7.181 4.510 -3.122 85 HA PRO 10 HA PRO 10 -7.448 6.678 -10.407 86 HB2 PRO 10 2HB PRO 10 -9.659 8.197 -10.829 87 HB3 PRO 10 3HB PRO 10 -9.628 6.450 -11.097 88 HG2 PRO 10 2HG PRO 10 -10.670 7.987 -8.749 89 HG3 PRO 10 3HG PRO 10 -11.387 6.596 -9.583 90 HD2 PRO 10 2HD PRO 10 -10.039 6.358 -7.247 91 HD3 PRO 10 3HD PRO 10 -10.041 5.083 -8.482 92 H LEU 11 H LEU 11 -5.849 7.820 -8.850 93 HA LEU 11 HA LEU 11 -6.490 10.696 -8.810 94 HB2 LEU 11 2HB LEU 11 -5.308 8.933 -6.779 95 HB3 LEU 11 3HB LEU 11 -4.466 10.463 -7.014 96 HG LEU 11 HG LEU 11 -7.422 10.354 -6.489 97 HD11 LEU 11 1HD1 LEU 11 -5.152 10.109 -4.566 98 HD12 LEU 11 2HD1 LEU 11 -6.712 9.287 -4.576 99 HD13 LEU 11 3HD1 LEU 11 -6.612 10.981 -4.096 100 HD21 LEU 11 3HD2 LEU 11 -5.948 12.405 -7.323 101 HD22 LEU 11 1HD2 LEU 11 -5.632 12.540 -5.593 102 HD23 LEU 11 2HD2 LEU 11 -7.289 12.603 -6.194 103 H PHE 12 H PHE 12 -3.505 8.802 -8.402 104 HA PHE 12 HA PHE 12 -2.055 10.646 -10.075 105 HB2 PHE 12 2HB PHE 12 -1.077 8.032 -8.915 106 HB3 PHE 12 3HB PHE 12 -0.096 9.379 -9.483 107 HD1 PHE 12 HD2 PHE 12 -2.285 8.174 -6.801 108 HD2 PHE 12 HD1 PHE 12 0.259 11.319 -8.125 109 HE1 PHE 12 HE2 PHE 12 -2.272 9.115 -4.528 110 HE2 PHE 12 HE1 PHE 12 0.277 12.265 -5.854 111 HZ PHE 12 HZ PHE 12 -0.991 11.164 -4.052 112 H GLY 13 H GLY 13 -3.066 10.391 -12.105 113 HA2 GLY 13 2HA GLY 13 -3.146 7.810 -13.385 114 HA3 GLY 13 3HA GLY 13 -3.566 9.352 -14.115 115 H LYS 14 H LYS 14 -1.911 10.646 -15.026 116 HA LYS 14 HA LYS 14 0.144 9.132 -16.294 117 HB2 LYS 14 2HB LYS 14 0.833 11.347 -17.232 118 HB3 LYS 14 3HB LYS 14 -0.856 10.940 -17.509 119 HG2 LYS 14 2HG LYS 14 -0.383 12.467 -15.060 120 HG3 LYS 14 3HG LYS 14 0.050 13.317 -16.545 121 HD2 LYS 14 2HD LYS 14 -2.555 11.885 -16.459 122 HD3 LYS 14 3HD LYS 14 -2.407 13.394 -15.556 123 HE2 LYS 14 2HE LYS 14 -1.727 14.563 -17.567 124 HE3 LYS 14 3HE LYS 14 -1.752 13.056 -18.482 125 HZ1 LYS 14 3HZ LYS 14 -4.080 14.439 -17.267 126 HZ2 LYS 14 1HZ LYS 14 -4.153 12.905 -17.978 127 HZ3 LYS 14 2HZ LYS 14 -3.753 14.253 -18.917 128 H GLY 15 H GLY 15 -0.023 11.121 -13.453 129 HA2 GLY 15 2HA GLY 15 2.658 11.836 -13.141 130 HA3 GLY 15 3HA GLY 15 1.522 11.591 -11.823 131 H GLY 16 H GLY 16 1.182 9.321 -11.119 132 HA2 GLY 16 2HA GLY 16 1.975 7.272 -10.437 133 HA3 GLY 16 3HA GLY 16 3.030 7.288 -11.843 Start of MODEL 19 1 H1 VAL 1 H VAL 1 6.047 -4.496 -7.828 2 HA VAL 1 HA VAL 1 6.874 -3.140 -5.580 3 HB VAL 1 HB VAL 1 5.600 -1.195 -7.506 4 HG11 VAL 1 1HG1 VAL 1 5.022 -0.385 -5.449 5 HG12 VAL 1 2HG1 VAL 1 6.424 -1.099 -4.650 6 HG13 VAL 1 3HG1 VAL 1 6.611 0.359 -5.626 7 HG21 VAL 1 3HG2 VAL 1 8.481 -1.440 -6.646 8 HG22 VAL 1 1HG2 VAL 1 7.839 -1.676 -8.271 9 HG23 VAL 1 2HG2 VAL 1 7.805 -0.074 -7.534 10 H ALA 2 H ALA 2 5.201 -2.781 -4.103 11 HA ALA 2 HA ALA 2 2.613 -3.892 -4.938 12 HB1 ALA 2 1HB ALA 2 4.073 -4.830 -2.987 13 HB2 ALA 2 2HB ALA 2 3.357 -3.500 -2.075 14 HB3 ALA 2 3HB ALA 2 2.321 -4.722 -2.813 15 H ARG 3 H ARG 3 2.463 -1.564 -5.883 16 HA ARG 3 HA ARG 3 1.232 0.170 -3.841 17 HB2 ARG 3 2HB ARG 3 2.887 0.841 -6.255 18 HB3 ARG 3 3HB ARG 3 1.745 2.008 -5.604 19 HG2 ARG 3 2HG ARG 3 3.792 0.721 -3.843 20 HG3 ARG 3 3HG ARG 3 4.196 2.117 -4.845 21 HD2 ARG 3 2HD ARG 3 1.729 2.320 -3.232 22 HD3 ARG 3 3HD ARG 3 3.249 2.314 -2.339 23 HE ARG 3 HE ARG 3 2.201 4.447 -3.889 24 HH11 ARG 3 1HH1 ARG 3 5.180 2.884 -2.994 25 HH12 ARG 3 2HH1 ARG 3 6.143 4.309 -3.203 26 HH21 ARG 3 1HH2 ARG 3 3.458 6.330 -4.169 27 HH22 ARG 3 2HH2 ARG 3 5.162 6.269 -3.871 28 H GLY 4 H GLY 4 -0.909 0.089 -4.004 29 HA2 GLY 4 2HA GLY 4 -2.109 -0.284 -6.668 30 HA3 GLY 4 3HA GLY 4 -2.890 -0.670 -5.142 31 H TRP 5 H TRP 5 -1.632 2.067 -7.023 32 HA TRP 5 HA TRP 5 -3.701 3.754 -5.777 33 HB2 TRP 5 2HB TRP 5 -0.924 4.326 -6.719 34 HB3 TRP 5 3HB TRP 5 -2.124 5.612 -6.806 35 HD1 TRP 5 HD1 TRP 5 0.035 3.707 -4.356 36 HE1 TRP 5 HE1 TRP 5 -0.222 4.743 -2.013 37 HE3 TRP 5 HE3 TRP 5 -3.895 6.843 -5.281 38 HZ2 TRP 5 HZ2 TRP 5 -1.872 6.638 -0.728 39 HZ3 TRP 5 HZ3 TRP 5 -4.753 8.233 -3.441 40 HH2 TRP 5 HH2 TRP 5 -3.762 8.131 -1.212 41 H LYS 6 H LYS 6 -3.371 1.963 -8.385 42 HA LYS 6 HA LYS 6 -4.647 3.936 -10.165 43 HB2 LYS 6 2HB LYS 6 -3.789 2.527 -12.056 44 HB3 LYS 6 3HB LYS 6 -2.540 3.351 -11.132 45 HG2 LYS 6 2HG LYS 6 -3.146 0.674 -10.142 46 HG3 LYS 6 3HG LYS 6 -2.540 0.703 -11.800 47 HD2 LYS 6 2HD LYS 6 -1.144 2.346 -9.745 48 HD3 LYS 6 3HD LYS 6 -0.897 0.598 -9.737 49 HE2 LYS 6 2HE LYS 6 -0.669 2.039 -12.328 50 HE3 LYS 6 3HE LYS 6 0.637 2.224 -11.158 51 HZ1 LYS 6 3HZ LYS 6 1.414 0.254 -11.750 52 HZ2 LYS 6 1HZ LYS 6 0.185 0.097 -12.902 53 HZ3 LYS 6 2HZ LYS 6 -0.045 -0.493 -11.333 54 H ARG 7 H ARG 7 -5.700 1.934 -8.141 55 HA ARG 7 HA ARG 7 -7.505 0.497 -9.977 56 HB2 ARG 7 2HB ARG 7 -6.512 -0.343 -7.248 57 HB3 ARG 7 3HB ARG 7 -7.780 -1.175 -8.139 58 HG2 ARG 7 2HG ARG 7 -4.906 -0.859 -8.976 59 HG3 ARG 7 3HG ARG 7 -5.691 -2.336 -8.413 60 HD2 ARG 7 2HD ARG 7 -7.240 -2.168 -10.360 61 HD3 ARG 7 3HD ARG 7 -6.279 -0.810 -10.945 62 HE ARG 7 HE ARG 7 -4.655 -3.091 -10.465 63 HH11 ARG 7 1HH1 ARG 7 -6.933 -1.733 -12.720 64 HH12 ARG 7 2HH1 ARG 7 -6.300 -2.597 -14.082 65 HH21 ARG 7 1HH2 ARG 7 -3.812 -4.235 -12.250 66 HH22 ARG 7 2HH2 ARG 7 -4.526 -4.021 -13.813 67 H LYS 8 H LYS 8 -7.616 1.038 -6.473 68 HA LYS 8 HA LYS 8 -10.333 2.086 -6.783 69 HB2 LYS 8 2HB LYS 8 -10.521 1.704 -4.345 70 HB3 LYS 8 3HB LYS 8 -10.106 0.241 -5.229 71 HG2 LYS 8 2HG LYS 8 -7.743 1.655 -4.350 72 HG3 LYS 8 3HG LYS 8 -8.815 1.265 -3.003 73 HD2 LYS 8 2HD LYS 8 -8.793 -1.060 -3.572 74 HD3 LYS 8 3HD LYS 8 -7.933 -0.735 -5.079 75 HE2 LYS 8 2HE LYS 8 -6.164 -1.371 -3.802 76 HE3 LYS 8 3HE LYS 8 -6.186 0.343 -3.389 77 HZ1 LYS 8 3HZ LYS 8 -7.916 -1.184 -1.710 78 HZ2 LYS 8 1HZ LYS 8 -6.665 -0.126 -1.287 79 HZ3 LYS 8 2HZ LYS 8 -6.322 -1.746 -1.633 80 H CYS 9 H CYS 9 -7.383 3.363 -6.814 81 HA CYS 9 HA CYS 9 -8.206 5.758 -5.306 82 HB2 CYS 9 2HB CYS 9 -5.348 4.930 -5.817 83 HB3 CYS 9 3HB CYS 9 -5.926 6.190 -4.734 84 HG CYS 9 HG CYS 9 -6.034 4.712 -2.646 85 HA PRO 10 HA PRO 10 -7.825 6.878 -9.784 86 HB2 PRO 10 2HB PRO 10 -10.055 8.427 -9.818 87 HB3 PRO 10 3HB PRO 10 -10.095 6.680 -10.082 88 HG2 PRO 10 2HG PRO 10 -10.689 8.234 -7.593 89 HG3 PRO 10 3HG PRO 10 -11.560 6.852 -8.284 90 HD2 PRO 10 2HD PRO 10 -9.827 6.597 -6.219 91 HD3 PRO 10 3HD PRO 10 -10.063 5.321 -7.430 92 H LEU 11 H LEU 11 -5.963 7.999 -8.534 93 HA LEU 11 HA LEU 11 -6.548 10.884 -8.394 94 HB2 LEU 11 2HB LEU 11 -5.062 9.107 -6.590 95 HB3 LEU 11 3HB LEU 11 -4.242 10.618 -6.978 96 HG LEU 11 HG LEU 11 -7.050 10.513 -5.895 97 HD11 LEU 11 1HD1 LEU 11 -5.658 11.348 -3.791 98 HD12 LEU 11 2HD1 LEU 11 -4.442 10.292 -4.508 99 HD13 LEU 11 3HD1 LEU 11 -6.022 9.645 -4.068 100 HD21 LEU 11 3HD2 LEU 11 -6.101 12.554 -7.123 101 HD22 LEU 11 1HD2 LEU 11 -5.064 12.754 -5.710 102 HD23 LEU 11 2HD2 LEU 11 -6.818 12.808 -5.531 103 H PHE 12 H PHE 12 -3.586 8.910 -8.536 104 HA PHE 12 HA PHE 12 -2.465 10.732 -10.494 105 HB2 PHE 12 2HB PHE 12 -1.197 8.220 -9.400 106 HB3 PHE 12 3HB PHE 12 -0.391 9.599 -10.141 107 HD1 PHE 12 HD1 PHE 12 -2.126 8.392 -7.136 108 HD2 PHE 12 HD2 PHE 12 0.113 11.561 -8.886 109 HE1 PHE 12 HE1 PHE 12 -1.817 9.397 -4.912 110 HE2 PHE 12 HE2 PHE 12 0.427 12.570 -6.665 111 HZ PHE 12 HZ PHE 12 -0.538 11.489 -4.674 112 H GLY 13 H GLY 13 -3.492 10.416 -12.427 113 HA2 GLY 13 2HA GLY 13 -4.185 7.893 -13.497 114 HA3 GLY 13 3HA GLY 13 -4.063 9.394 -14.403 115 H LYS 14 H LYS 14 -1.766 10.101 -14.884 116 HA LYS 14 HA LYS 14 -0.323 7.777 -15.913 117 HB2 LYS 14 2HB LYS 14 -0.118 10.726 -16.529 118 HB3 LYS 14 3HB LYS 14 0.954 9.513 -17.216 119 HG2 LYS 14 2HG LYS 14 -0.507 9.319 -18.872 120 HG3 LYS 14 3HG LYS 14 -1.587 8.530 -17.719 121 HD2 LYS 14 2HD LYS 14 -2.861 10.261 -18.678 122 HD3 LYS 14 3HD LYS 14 -2.373 10.869 -17.095 123 HE2 LYS 14 2HE LYS 14 -1.830 12.689 -18.342 124 HE3 LYS 14 3HE LYS 14 -0.325 11.790 -18.520 125 HZ1 LYS 14 3HZ LYS 14 -2.343 11.134 -20.476 126 HZ2 LYS 14 1HZ LYS 14 -0.694 11.454 -20.685 127 HZ3 LYS 14 2HZ LYS 14 -1.795 12.732 -20.562 128 H GLY 15 H GLY 15 -0.048 10.320 -13.570 129 HA2 GLY 15 2HA GLY 15 2.802 9.832 -13.168 130 HA3 GLY 15 3HA GLY 15 1.832 11.057 -12.363 131 H GLY 16 H GLY 16 1.235 7.570 -12.631 132 HA2 GLY 16 2HA GLY 16 0.632 7.380 -9.842 133 HA3 GLY 16 3HA GLY 16 0.718 6.045 -10.981 Start of MODEL 20 1 H1 VAL 1 H VAL 1 7.306 4.010 -2.509 2 HA VAL 1 HA VAL 1 6.490 4.694 -4.706 3 HB VAL 1 HB VAL 1 6.904 2.610 -6.027 4 HG11 VAL 1 1HG1 VAL 1 9.207 2.608 -5.637 5 HG12 VAL 1 2HG1 VAL 1 8.682 4.196 -5.073 6 HG13 VAL 1 3HG1 VAL 1 9.008 2.910 -3.911 7 HG21 VAL 1 3HG2 VAL 1 7.680 0.614 -4.792 8 HG22 VAL 1 1HG2 VAL 1 7.179 1.383 -3.286 9 HG23 VAL 1 2HG2 VAL 1 5.977 0.973 -4.509 10 H ALA 2 H ALA 2 4.941 4.466 -6.354 11 HA ALA 2 HA ALA 2 2.311 3.887 -5.446 12 HB1 ALA 2 1HB ALA 2 1.667 4.353 -7.812 13 HB2 ALA 2 2HB ALA 2 2.619 5.630 -7.052 14 HB3 ALA 2 3HB ALA 2 3.382 4.519 -8.190 15 H ARG 3 H ARG 3 2.322 1.699 -4.822 16 HA ARG 3 HA ARG 3 3.062 -0.397 -6.606 17 HB2 ARG 3 2HB ARG 3 3.151 -0.816 -4.245 18 HB3 ARG 3 3HB ARG 3 1.459 -0.379 -4.049 19 HG2 ARG 3 2HG ARG 3 0.726 -2.405 -4.683 20 HG3 ARG 3 3HG ARG 3 1.969 -2.582 -5.923 21 HD2 ARG 3 2HD ARG 3 3.620 -3.038 -4.128 22 HD3 ARG 3 3HD ARG 3 2.307 -2.981 -2.953 23 HE ARG 3 HE ARG 3 1.802 -4.848 -5.054 24 HH11 ARG 3 1HH1 ARG 3 3.500 -4.383 -2.050 25 HH12 ARG 3 2HH1 ARG 3 3.537 -6.071 -1.660 26 HH21 ARG 3 1HH2 ARG 3 1.846 -7.073 -4.551 27 HH22 ARG 3 2HH2 ARG 3 2.597 -7.600 -3.083 28 H GLY 4 H GLY 4 -0.158 0.061 -5.164 29 HA2 GLY 4 2HA GLY 4 -1.307 -0.688 -7.780 30 HA3 GLY 4 3HA GLY 4 -2.041 -1.074 -6.231 31 H TRP 5 H TRP 5 -0.764 1.908 -7.713 32 HA TRP 5 HA TRP 5 -3.181 3.295 -6.804 33 HB2 TRP 5 2HB TRP 5 -0.382 4.120 -7.366 34 HB3 TRP 5 3HB TRP 5 -1.645 5.300 -7.710 35 HD1 TRP 5 HD1 TRP 5 -0.242 3.245 -4.757 36 HE1 TRP 5 HE1 TRP 5 -0.787 4.500 -2.577 37 HE3 TRP 5 HE3 TRP 5 -3.105 7.016 -6.686 38 HZ2 TRP 5 HZ2 TRP 5 -2.240 6.785 -1.781 39 HZ3 TRP 5 HZ3 TRP 5 -4.035 8.695 -5.148 40 HH2 TRP 5 HH2 TRP 5 -3.611 8.580 -2.746 41 H LYS 6 H LYS 6 -2.484 1.599 -9.377 42 HA LYS 6 HA LYS 6 -3.629 3.530 -11.287 43 HB2 LYS 6 2HB LYS 6 -2.585 2.244 -13.073 44 HB3 LYS 6 3HB LYS 6 -1.375 2.762 -11.906 45 HG2 LYS 6 2HG LYS 6 -2.477 0.141 -11.295 46 HG3 LYS 6 3HG LYS 6 -1.703 0.215 -12.880 47 HD2 LYS 6 2HD LYS 6 0.169 1.482 -11.497 48 HD3 LYS 6 3HD LYS 6 -0.530 0.553 -10.168 49 HE2 LYS 6 2HE LYS 6 0.192 -1.433 -10.999 50 HE3 LYS 6 3HE LYS 6 0.026 -0.916 -12.676 51 HZ1 LYS 6 3HZ LYS 6 2.325 -1.165 -12.225 52 HZ2 LYS 6 1HZ LYS 6 2.226 -0.256 -10.801 53 HZ3 LYS 6 2HZ LYS 6 2.026 0.499 -12.301 54 H ARG 7 H ARG 7 -4.893 1.594 -9.313 55 HA ARG 7 HA ARG 7 -6.570 0.157 -11.265 56 HB2 ARG 7 2HB ARG 7 -5.483 -0.679 -8.613 57 HB3 ARG 7 3HB ARG 7 -7.062 -1.283 -9.098 58 HG2 ARG 7 2HG ARG 7 -6.054 -2.874 -10.255 59 HG3 ARG 7 3HG ARG 7 -5.369 -1.636 -11.310 60 HD2 ARG 7 2HD ARG 7 -3.435 -1.431 -9.872 61 HD3 ARG 7 3HD ARG 7 -4.137 -2.566 -8.720 62 HE ARG 7 HE ARG 7 -2.801 -3.199 -11.191 63 HH11 ARG 7 1HH1 ARG 7 -5.049 -4.300 -8.771 64 HH12 ARG 7 2HH1 ARG 7 -4.803 -5.979 -9.119 65 HH21 ARG 7 1HH2 ARG 7 -2.468 -5.407 -11.658 66 HH22 ARG 7 2HH2 ARG 7 -3.334 -6.608 -10.761 67 H LYS 8 H LYS 8 -6.959 0.768 -7.793 68 HA LYS 8 HA LYS 8 -9.594 1.925 -8.367 69 HB2 LYS 8 2HB LYS 8 -10.084 1.482 -5.987 70 HB3 LYS 8 3HB LYS 8 -9.628 0.024 -6.858 71 HG2 LYS 8 2HG LYS 8 -8.192 -0.362 -5.212 72 HG3 LYS 8 3HG LYS 8 -7.230 0.968 -5.862 73 HD2 LYS 8 2HD LYS 8 -7.466 1.729 -3.732 74 HD3 LYS 8 3HD LYS 8 -8.955 2.390 -4.411 75 HE2 LYS 8 2HE LYS 8 -10.252 0.621 -3.508 76 HE3 LYS 8 3HE LYS 8 -8.815 -0.310 -3.090 77 HZ1 LYS 8 3HZ LYS 8 -9.165 2.349 -1.903 78 HZ2 LYS 8 1HZ LYS 8 -8.391 0.983 -1.273 79 HZ3 LYS 8 2HZ LYS 8 -10.080 1.065 -1.291 80 H CYS 9 H CYS 9 -6.700 3.137 -8.227 81 HA CYS 9 HA CYS 9 -7.477 5.447 -6.570 82 HB2 CYS 9 2HB CYS 9 -4.634 4.619 -7.150 83 HB3 CYS 9 3HB CYS 9 -5.194 5.801 -5.974 84 HG CYS 9 HG CYS 9 -4.711 4.009 -4.158 85 HA PRO 10 HA PRO 10 -7.151 6.900 -10.935 86 HB2 PRO 10 2HB PRO 10 -9.250 8.612 -10.748 87 HB3 PRO 10 3HB PRO 10 -9.440 6.897 -11.132 88 HG2 PRO 10 2HG PRO 10 -9.798 8.303 -8.514 89 HG3 PRO 10 3HG PRO 10 -10.806 7.047 -9.256 90 HD2 PRO 10 2HD PRO 10 -9.009 6.509 -7.303 91 HD3 PRO 10 3HD PRO 10 -9.399 5.347 -8.588 92 H LEU 11 H LEU 11 -6.804 8.236 -7.850 93 HA LEU 11 HA LEU 11 -6.536 10.976 -8.420 94 HB2 LEU 11 2HB LEU 11 -5.638 9.160 -6.248 95 HB3 LEU 11 3HB LEU 11 -4.883 10.748 -6.358 96 HG LEU 11 HG LEU 11 -7.750 10.989 -6.493 97 HD11 LEU 11 1HD1 LEU 11 -8.066 9.060 -5.233 98 HD12 LEU 11 2HD1 LEU 11 -8.023 10.340 -4.021 99 HD13 LEU 11 3HD1 LEU 11 -6.605 9.325 -4.281 100 HD21 LEU 11 3HD2 LEU 11 -5.737 11.909 -4.443 101 HD22 LEU 11 1HD2 LEU 11 -7.371 12.535 -4.663 102 HD23 LEU 11 2HD2 LEU 11 -6.160 12.773 -5.922 103 H PHE 12 H PHE 12 -4.131 8.364 -8.317 104 HA PHE 12 HA PHE 12 -2.284 10.133 -9.781 105 HB2 PHE 12 2HB PHE 12 -1.714 8.050 -7.678 106 HB3 PHE 12 3HB PHE 12 -0.467 8.651 -8.765 107 HD1 PHE 12 HD2 PHE 12 -3.070 9.907 -6.412 108 HD2 PHE 12 HD1 PHE 12 0.796 10.455 -8.107 109 HE1 PHE 12 HE2 PHE 12 -2.683 11.813 -4.905 110 HE2 PHE 12 HE1 PHE 12 1.189 12.362 -6.602 111 HZ PHE 12 HZ PHE 12 -0.552 13.044 -5.000 112 H GLY 13 H GLY 13 -4.308 8.371 -10.899 113 HA2 GLY 13 2HA GLY 13 -3.009 6.001 -11.864 114 HA3 GLY 13 3HA GLY 13 -4.552 6.641 -12.410 115 H LYS 14 H LYS 14 -3.062 9.289 -12.855 116 HA LYS 14 HA LYS 14 -2.165 8.607 -15.558 117 HB2 LYS 14 2HB LYS 14 -2.342 11.084 -15.942 118 HB3 LYS 14 3HB LYS 14 -3.859 10.290 -15.538 119 HG2 LYS 14 2HG LYS 14 -4.157 11.647 -13.818 120 HG3 LYS 14 3HG LYS 14 -2.594 11.190 -13.138 121 HD2 LYS 14 2HD LYS 14 -2.158 13.391 -13.460 122 HD3 LYS 14 3HD LYS 14 -1.760 12.831 -15.086 123 HE2 LYS 14 2HE LYS 14 -4.457 13.230 -15.263 124 HE3 LYS 14 3HE LYS 14 -3.971 14.512 -14.154 125 HZ1 LYS 14 3HZ LYS 14 -2.955 14.028 -16.898 126 HZ2 LYS 14 1HZ LYS 14 -2.244 15.123 -15.821 127 HZ3 LYS 14 2HZ LYS 14 -3.833 15.365 -16.346 128 H GLY 15 H GLY 15 -1.057 9.974 -12.542 129 HA2 GLY 15 2HA GLY 15 1.551 10.599 -13.750 130 HA3 GLY 15 3HA GLY 15 0.983 11.172 -12.188 131 H GLY 16 H GLY 16 1.316 7.954 -13.699 132 HA2 GLY 16 2HA GLY 16 3.076 7.194 -11.465 133 HA3 GLY 16 3HA GLY 16 1.673 6.205 -11.841
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