NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27082 | 2oyw | 15145 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HN PCA 1 HN PCA 1 12.164 -17.327 4.949 2 HA PCA 1 HA PCA 1 10.239 -15.540 4.804 3 1HB PCA 1 1HB PCA 1 8.618 -16.179 3.274 4 2HB PCA 1 2HB PCA 1 8.702 -17.742 3.739 5 1HG PCA 1 1HG PCA 1 9.860 -17.987 1.786 6 2HG PCA 1 2HG PCA 1 10.318 -16.419 1.764 7 H LEU 2 H LEU 2 8.816 -15.281 6.557 8 HA LEU 2 HA LEU 2 9.215 -17.068 8.683 9 1HB LEU 2 1HB LEU 2 10.484 -15.040 9.146 10 2HB LEU 2 2HB LEU 2 9.093 -14.193 9.015 11 HG LEU 2 HG LEU 2 8.273 -15.402 10.933 12 1HD1 LEU 2 1HD1 LEU 2 9.822 -16.488 12.397 13 2HD1 LEU 2 2HD1 LEU 2 10.995 -16.302 11.276 14 3HD1 LEU 2 3HD1 LEU 2 9.717 -17.270 10.968 15 1HD2 LEU 2 1HD2 LEU 2 9.499 -14.068 12.545 16 2HD2 LEU 2 2HD2 LEU 2 9.119 -13.179 11.229 17 3HD2 LEU 2 3HD2 LEU 2 10.632 -13.767 11.408 18 H TYR 3 H TYR 3 7.020 -14.530 7.543 19 HA TYR 3 HA TYR 3 4.740 -16.094 8.550 20 1HB TYR 3 1HB TYR 3 5.043 -13.748 9.200 21 2HB TYR 3 2HB TYR 3 4.761 -13.352 7.641 22 HD1 TYR 3 HD1 TYR 3 2.474 -13.471 6.706 23 HD2 TYR 3 HD2 TYR 3 3.208 -14.417 10.680 24 HE1 TYR 3 HE1 TYR 3 0.126 -13.409 7.159 25 HE2 TYR 3 HE2 TYR 3 0.861 -14.335 11.130 26 HH TYR 3 HH TYR 3 -1.191 -14.024 10.418 27 H GLU 4 H GLU 4 4.105 -17.694 7.165 28 HA GLU 4 HA GLU 4 3.907 -17.135 4.351 29 1HB GLU 4 1HB GLU 4 3.280 -19.345 4.056 30 2HB GLU 4 2HB GLU 4 4.612 -19.274 4.998 31 1HG GLU 4 1HG GLU 4 3.416 -19.936 6.868 32 2HG GLU 4 2HG GLU 4 1.994 -19.777 6.080 33 H ASN 5 H ASN 5 2.407 -15.928 3.388 34 HA ASN 5 HA ASN 5 -0.346 -15.924 4.424 35 1HB ASN 5 1HB ASN 5 0.856 -13.838 4.014 36 2HB ASN 5 2HB ASN 5 0.795 -14.199 2.422 37 1HD2 ASN 5 1HD2 ASN 5 -0.937 -12.878 5.060 38 2HD2 ASN 5 2HD2 ASN 5 -2.385 -12.504 4.185 39 H LYS 6 H LYS 6 -1.384 -17.809 3.853 40 HA LYS 6 HA LYS 6 -1.199 -18.746 1.134 41 1HB LYS 6 1HB LYS 6 -2.394 -20.601 1.798 42 2HB LYS 6 2HB LYS 6 -1.211 -20.320 2.889 43 1HG LYS 6 1HG LYS 6 -2.848 -19.471 4.408 44 2HG LYS 6 2HG LYS 6 -4.016 -19.830 3.324 45 1HD LYS 6 1HD LYS 6 -2.336 -21.853 4.500 46 2HD LYS 6 2HD LYS 6 -3.782 -21.441 5.139 47 1HE LYS 6 1HE LYS 6 -4.864 -22.205 3.138 48 2HE LYS 6 2HE LYS 6 -3.413 -22.658 2.541 49 1HZ LYS 6 1HZ LYS 6 -4.525 -24.506 3.475 50 2HZ LYS 6 2HZ LYS 6 -4.611 -23.731 4.909 51 3HZ LYS 6 3HZ LYS 6 -3.161 -24.184 4.312 52 HA PRO 7 HA PRO 7 -4.597 -16.182 -0.195 53 1HB PRO 7 1HB PRO 7 -4.373 -16.469 -2.820 54 2HB PRO 7 2HB PRO 7 -3.226 -15.621 -2.025 55 1HG PRO 7 1HG PRO 7 -3.077 -18.383 -2.874 56 2HG PRO 7 2HG PRO 7 -1.929 -17.235 -3.049 57 1HD PRO 7 1HD PRO 7 -1.799 -18.939 -1.060 58 2HD PRO 7 2HD PRO 7 -1.254 -17.411 -0.871 59 H ARG 8 H ARG 8 -6.686 -16.060 -0.617 60 HA ARG 8 HA ARG 8 -8.039 -18.581 -1.243 61 1HB ARG 8 1HB ARG 8 -8.646 -16.871 0.998 62 2HB ARG 8 2HB ARG 8 -9.702 -17.990 0.452 63 1HG ARG 8 1HG ARG 8 -8.177 -19.720 1.047 64 2HG ARG 8 2HG ARG 8 -7.121 -18.601 1.593 65 1HD ARG 8 1HD ARG 8 -9.720 -18.918 2.795 66 2HD ARG 8 2HD ARG 8 -8.426 -19.758 3.330 67 HE ARG 8 HE ARG 8 -8.835 -16.901 3.621 68 1HH1 ARG 8 1HH1 ARG 8 -6.800 -19.667 4.501 69 2HH1 ARG 8 2HH1 ARG 8 -5.932 -18.733 5.673 70 1HH2 ARG 8 1HH2 ARG 8 -7.664 -15.823 5.107 71 2HH2 ARG 8 2HH2 ARG 8 -6.411 -16.610 6.007 72 H ARG 9 H ARG 9 -9.219 -18.364 -3.105 73 HA ARG 9 HA ARG 9 -10.316 -15.793 -3.842 74 1HB ARG 9 1HB ARG 9 -10.336 -18.335 -5.218 75 2HB ARG 9 2HB ARG 9 -11.059 -17.004 -5.830 76 1HG ARG 9 1HG ARG 9 -8.219 -17.114 -5.383 77 2HG ARG 9 2HG ARG 9 -8.888 -17.559 -6.805 78 1HD ARG 9 1HD ARG 9 -9.694 -15.322 -7.110 79 2HD ARG 9 2HD ARG 9 -8.984 -14.884 -5.706 80 HE ARG 9 HE ARG 9 -6.974 -16.011 -7.200 81 1HH1 ARG 9 1HH1 ARG 9 -9.011 -13.129 -7.555 82 2HH1 ARG 9 2HH1 ARG 9 -7.805 -12.313 -8.493 83 1HH2 ARG 9 1HH2 ARG 9 -5.524 -14.882 -8.382 84 2HH2 ARG 9 2HH2 ARG 9 -5.876 -13.284 -8.949 85 HA PRO 10 HA PRO 10 -14.235 -16.935 -1.869 86 1HB PRO 10 1HB PRO 10 -15.541 -14.624 -2.078 87 2HB PRO 10 2HB PRO 10 -14.324 -14.755 -0.997 88 1HG PRO 10 1HG PRO 10 -14.207 -13.562 -3.625 89 2HG PRO 10 2HG PRO 10 -13.563 -12.976 -2.243 90 1HD PRO 10 1HD PRO 10 -12.074 -14.287 -3.971 91 2HD PRO 10 2HD PRO 10 -11.743 -14.343 -2.373 92 H TYR 11 H TYR 11 -14.686 -15.505 -5.028 93 HA TYR 11 HA TYR 11 -16.919 -17.286 -5.490 94 1HB TYR 11 1HB TYR 11 -17.253 -16.159 -7.479 95 2HB TYR 11 2HB TYR 11 -17.050 -15.058 -6.289 96 HD1 TYR 11 HD1 TYR 11 -15.138 -13.508 -6.321 97 HD2 TYR 11 HD2 TYR 11 -15.687 -16.289 -9.353 98 HE1 TYR 11 HE1 TYR 11 -13.500 -12.386 -7.651 99 HE2 TYR 11 HE2 TYR 11 -14.051 -15.159 -10.682 100 HH TYR 11 HH TYR 11 -12.598 -13.503 -10.906 101 H ILE 12 H ILE 12 -16.970 -19.265 -6.328 102 HA ILE 12 HA ILE 12 -14.586 -20.298 -7.747 103 HB ILE 12 HB ILE 12 -16.587 -21.774 -6.394 104 1HG1 ILE 12 1HG1 ILE 12 -13.813 -21.742 -5.595 105 2HG1 ILE 12 2HG1 ILE 12 -14.896 -20.704 -4.949 106 1HG2 ILE 12 1HG2 ILE 12 -15.246 -23.753 -6.880 107 2HG2 ILE 12 2HG2 ILE 12 -14.247 -22.825 -7.779 108 3HG2 ILE 12 3HG2 ILE 12 -15.793 -23.058 -8.252 109 1HD1 ILE 12 1HD1 ILE 12 -14.534 -22.529 -3.474 110 2HD1 ILE 12 2HD1 ILE 12 -14.999 -23.575 -4.637 111 3HD1 ILE 12 3HD1 ILE 12 -16.082 -22.538 -3.992 112 H LEU 13 H LEU 13 -14.807 -19.722 -9.904 113 HA LEU 13 HA LEU 13 -17.413 -20.019 -11.217 114 1HB LEU 13 1HB LEU 13 -16.183 -17.896 -11.309 115 2HB LEU 13 2HB LEU 13 -15.055 -18.666 -12.204 116 HG LEU 13 HG LEU 13 -16.806 -19.061 -13.850 117 1HD1 LEU 13 1HD1 LEU 13 -18.710 -17.608 -13.853 118 2HD1 LEU 13 2HD1 LEU 13 -18.274 -17.051 -12.382 119 3HD1 LEU 13 3HD1 LEU 13 -18.737 -18.606 -12.562 120 1HD2 LEU 13 1HD2 LEU 13 -16.594 -16.859 -14.833 121 2HD2 LEU 13 2HD2 LEU 13 -15.159 -17.372 -14.247 122 3HD2 LEU 13 3HD2 LEU 13 -16.046 -16.291 -13.404 123 HXT LEU 13 HXT LEU 13 -16.567 -22.681 -13.163 Start of MODEL 2 1 HN PCA 1 HN PCA 1 -13.796 -9.180 12.343 2 HA PCA 1 HA PCA 1 -13.614 -9.959 9.835 3 1HB PCA 1 1HB PCA 1 -12.854 -8.232 8.481 4 2HB PCA 1 2HB PCA 1 -11.800 -7.718 9.618 5 1HG PCA 1 1HG PCA 1 -13.350 -6.067 9.926 6 2HG PCA 1 2HG PCA 1 -14.568 -6.987 9.343 7 H LEU 2 H LEU 2 -12.048 -11.454 9.249 8 HA LEU 2 HA LEU 2 -10.181 -12.164 11.216 9 1HB LEU 2 1HB LEU 2 -12.028 -13.764 11.346 10 2HB LEU 2 2HB LEU 2 -11.733 -14.137 9.784 11 HG LEU 2 HG LEU 2 -9.524 -14.869 10.495 12 1HD1 LEU 2 1HD1 LEU 2 -9.199 -15.471 12.787 13 2HD1 LEU 2 2HD1 LEU 2 -10.621 -14.765 13.165 14 3HD1 LEU 2 3HD1 LEU 2 -9.377 -13.857 12.625 15 1HD2 LEU 2 1HD2 LEU 2 -10.310 -17.029 11.258 16 2HD2 LEU 2 2HD2 LEU 2 -11.217 -16.493 10.011 17 3HD2 LEU 2 3HD2 LEU 2 -11.780 -16.377 11.540 18 H TYR 3 H TYR 3 -8.192 -11.910 10.419 19 HA TYR 3 HA TYR 3 -7.839 -11.743 7.540 20 1HB TYR 3 1HB TYR 3 -5.779 -10.739 8.006 21 2HB TYR 3 2HB TYR 3 -6.984 -9.966 8.792 22 HD1 TYR 3 HD1 TYR 3 -7.046 -9.905 11.252 23 HD2 TYR 3 HD2 TYR 3 -3.943 -11.784 9.235 24 HE1 TYR 3 HE1 TYR 3 -5.770 -9.975 13.274 25 HE2 TYR 3 HE2 TYR 3 -2.672 -11.849 11.260 26 HH TYR 3 HH TYR 3 -2.500 -11.394 13.402 27 H GLU 4 H GLU 4 -7.603 -13.524 6.311 28 HA GLU 4 HA GLU 4 -6.058 -15.704 7.264 29 1HB GLU 4 1HB GLU 4 -7.304 -15.229 4.721 30 2HB GLU 4 2HB GLU 4 -6.238 -16.458 4.863 31 1HG GLU 4 1HG GLU 4 -7.744 -17.312 6.648 32 2HG GLU 4 2HG GLU 4 -8.848 -16.272 6.041 33 H ASN 5 H ASN 5 -3.865 -16.017 7.254 34 HA ASN 5 HA ASN 5 -2.111 -14.448 5.615 35 1HB ASN 5 1HB ASN 5 -1.676 -15.503 7.866 36 2HB ASN 5 2HB ASN 5 -1.448 -16.894 7.040 37 1HD2 ASN 5 1HD2 ASN 5 0.457 -17.040 5.530 38 2HD2 ASN 5 2HD2 ASN 5 1.836 -16.071 5.930 39 H LYS 6 H LYS 6 -3.558 -17.523 4.904 40 HA LYS 6 HA LYS 6 -1.922 -17.813 2.532 41 1HB LYS 6 1HB LYS 6 -3.889 -19.554 3.719 42 2HB LYS 6 2HB LYS 6 -3.245 -19.875 2.253 43 1HG LYS 6 1HG LYS 6 -2.043 -21.234 3.563 44 2HG LYS 6 2HG LYS 6 -1.064 -19.930 3.487 45 1HD LYS 6 1HD LYS 6 -1.740 -19.251 5.640 46 2HD LYS 6 2HD LYS 6 -2.820 -20.475 5.713 47 1HE LYS 6 1HE LYS 6 -1.022 -22.053 5.712 48 2HE LYS 6 2HE LYS 6 0.052 -20.823 5.660 49 1HZ LYS 6 1HZ LYS 6 -0.189 -21.604 7.864 50 2HZ LYS 6 2HZ LYS 6 -1.790 -21.293 7.800 51 3HZ LYS 6 3HZ LYS 6 -0.717 -20.064 7.748 52 HA PRO 7 HA PRO 7 -5.070 -15.677 0.124 53 1HB PRO 7 1HB PRO 7 -4.052 -15.876 -2.319 54 2HB PRO 7 2HB PRO 7 -3.316 -14.908 -1.229 55 1HG PRO 7 1HG PRO 7 -2.560 -17.601 -1.963 56 2HG PRO 7 2HG PRO 7 -1.572 -16.312 -1.785 57 1HD PRO 7 1HD PRO 7 -1.824 -18.050 0.157 58 2HD PRO 7 2HD PRO 7 -1.582 -16.471 0.499 59 H ARG 8 H ARG 8 -7.054 -16.144 0.012 60 HA ARG 8 HA ARG 8 -7.840 -18.571 -1.438 61 1HB ARG 8 1HB ARG 8 -9.004 -17.462 0.966 62 2HB ARG 8 2HB ARG 8 -9.706 -18.671 0.122 63 1HG ARG 8 1HG ARG 8 -7.152 -18.962 1.411 64 2HG ARG 8 2HG ARG 8 -8.555 -19.383 2.132 65 1HD ARG 8 1HD ARG 8 -7.612 -20.658 -0.271 66 2HD ARG 8 2HD ARG 8 -7.302 -21.250 1.219 67 HE ARG 8 HE ARG 8 -9.769 -21.465 -0.215 68 1HH1 ARG 8 1HH1 ARG 8 -8.394 -21.679 3.047 69 2HH1 ARG 8 2HH1 ARG 8 -9.687 -22.690 3.599 70 1HH2 ARG 8 1HH2 ARG 8 -11.328 -22.777 0.578 71 2HH2 ARG 8 2HH2 ARG 8 -11.312 -23.297 2.230 72 H ARG 9 H ARG 9 -9.085 -18.318 -3.260 73 HA ARG 9 HA ARG 9 -10.347 -15.779 -3.759 74 1HB ARG 9 1HB ARG 9 -10.138 -18.153 -5.392 75 2HB ARG 9 2HB ARG 9 -10.988 -16.847 -5.882 76 1HG ARG 9 1HG ARG 9 -8.972 -15.563 -5.923 77 2HG ARG 9 2HG ARG 9 -8.130 -16.883 -5.461 78 1HD ARG 9 1HD ARG 9 -8.693 -17.969 -7.510 79 2HD ARG 9 2HD ARG 9 -9.557 -16.662 -7.971 80 HE ARG 9 HE ARG 9 -7.023 -15.727 -7.414 81 1HH1 ARG 9 1HH1 ARG 9 -8.450 -17.850 -9.870 82 2HH1 ARG 9 2HH1 ARG 9 -7.198 -17.483 -11.010 83 1HH2 ARG 9 1HH2 ARG 9 -5.498 -15.336 -8.932 84 2HH2 ARG 9 2HH2 ARG 9 -5.566 -16.092 -10.489 85 HA PRO 10 HA PRO 10 -14.236 -17.389 -2.052 86 1HB PRO 10 1HB PRO 10 -15.607 -15.113 -1.847 87 2HB PRO 10 2HB PRO 10 -14.412 -15.427 -0.778 88 1HG PRO 10 1HG PRO 10 -14.266 -13.741 -3.118 89 2HG PRO 10 2HG PRO 10 -13.673 -13.422 -1.630 90 1HD PRO 10 1HD PRO 10 -12.100 -14.330 -3.528 91 2HD PRO 10 2HD PRO 10 -11.818 -14.710 -1.965 92 H TYR 11 H TYR 11 -14.681 -15.401 -4.896 93 HA TYR 11 HA TYR 11 -16.942 -17.053 -5.664 94 1HB TYR 11 1HB TYR 11 -17.347 -15.542 -7.347 95 2HB TYR 11 2HB TYR 11 -17.166 -14.741 -5.935 96 HD1 TYR 11 HD1 TYR 11 -15.252 -13.195 -5.605 97 HD2 TYR 11 HD2 TYR 11 -15.921 -15.072 -9.246 98 HE1 TYR 11 HE1 TYR 11 -13.714 -11.700 -6.664 99 HE2 TYR 11 HE2 TYR 11 -14.380 -13.576 -10.298 100 HH TYR 11 HH TYR 11 -12.978 -11.872 -10.139 101 H ILE 12 H ILE 12 -16.459 -19.101 -6.159 102 HA ILE 12 HA ILE 12 -14.914 -19.473 -8.597 103 HB ILE 12 HB ILE 12 -13.999 -21.511 -7.839 104 1HG1 ILE 12 1HG1 ILE 12 -14.236 -20.649 -5.124 105 2HG1 ILE 12 2HG1 ILE 12 -15.244 -21.750 -5.788 106 1HG2 ILE 12 1HG2 ILE 12 -12.029 -20.453 -6.859 107 2HG2 ILE 12 2HG2 ILE 12 -12.897 -19.083 -6.672 108 3HG2 ILE 12 3HG2 ILE 12 -12.563 -19.640 -8.170 109 1HD1 ILE 12 1HD1 ILE 12 -13.560 -22.845 -4.522 110 2HD1 ILE 12 2HD1 ILE 12 -12.403 -22.142 -5.434 111 3HD1 ILE 12 3HD1 ILE 12 -13.411 -23.242 -6.098 112 H LEU 13 H LEU 13 -16.015 -20.596 -10.176 113 HA LEU 13 HA LEU 13 -18.396 -22.111 -9.406 114 1HB LEU 13 1HB LEU 13 -17.832 -20.765 -11.896 115 2HB LEU 13 2HB LEU 13 -19.143 -21.714 -11.672 116 HG LEU 13 HG LEU 13 -18.726 -19.276 -10.227 117 1HD1 LEU 13 1HD1 LEU 13 -20.333 -18.246 -11.722 118 2HD1 LEU 13 2HD1 LEU 13 -20.378 -19.625 -12.595 119 3HD1 LEU 13 3HD1 LEU 13 -19.010 -18.735 -12.544 120 1HD2 LEU 13 1HD2 LEU 13 -21.052 -19.379 -9.674 121 2HD2 LEU 13 2HD2 LEU 13 -20.254 -20.685 -9.105 122 3HD2 LEU 13 3HD2 LEU 13 -21.163 -20.809 -10.456 123 HXT LEU 13 HXT LEU 13 -15.984 -24.090 -11.812 Start of MODEL 3 1 HN PCA 1 HN PCA 1 1.571 -26.545 -7.250 2 HA PCA 1 HA PCA 1 0.926 -24.302 -8.464 3 1HB PCA 1 1HB PCA 1 -0.252 -22.894 -7.049 4 2HB PCA 1 2HB PCA 1 0.691 -23.279 -5.773 5 1HG PCA 1 1HG PCA 1 -1.120 -24.524 -5.148 6 2HG PCA 1 2HG PCA 1 -1.666 -24.654 -6.681 7 H LEU 2 H LEU 2 2.552 -22.837 -9.011 8 HA LEU 2 HA LEU 2 5.130 -23.484 -8.107 9 1HB LEU 2 1HB LEU 2 4.902 -24.347 -10.365 10 2HB LEU 2 2HB LEU 2 4.517 -22.839 -10.862 11 HG LEU 2 HG LEU 2 6.735 -22.149 -10.195 12 1HD1 LEU 2 1HD1 LEU 2 8.451 -23.796 -9.947 13 2HD1 LEU 2 2HD1 LEU 2 7.316 -24.969 -9.983 14 3HD1 LEU 2 3HD1 LEU 2 7.353 -23.906 -8.744 15 1HD2 LEU 2 1HD2 LEU 2 7.811 -23.026 -12.181 16 2HD2 LEU 2 2HD2 LEU 2 6.283 -22.557 -12.512 17 3HD2 LEU 2 3HD2 LEU 2 6.625 -24.140 -12.311 18 H TYR 3 H TYR 3 3.386 -20.899 -9.800 19 HA TYR 3 HA TYR 3 4.772 -18.904 -8.154 20 1HB TYR 3 1HB TYR 3 4.635 -18.700 -10.594 21 2HB TYR 3 2HB TYR 3 3.031 -18.452 -10.412 22 HD1 TYR 3 HD1 TYR 3 2.186 -16.301 -9.497 23 HD2 TYR 3 HD2 TYR 3 6.246 -16.933 -10.091 24 HE1 TYR 3 HE1 TYR 3 2.595 -13.960 -9.228 25 HE2 TYR 3 HE2 TYR 3 6.646 -14.590 -9.831 26 HH TYR 3 HH TYR 3 5.853 -12.556 -9.461 27 H GLU 4 H GLU 4 3.937 -18.810 -6.083 28 HA GLU 4 HA GLU 4 1.084 -18.471 -5.732 29 1HB GLU 4 1HB GLU 4 2.382 -19.648 -4.108 30 2HB GLU 4 2HB GLU 4 3.184 -18.266 -3.772 31 1HG GLU 4 1HG GLU 4 1.553 -18.804 -2.106 32 2HG GLU 4 2HG GLU 4 1.299 -17.336 -2.776 33 H ASN 5 H ASN 5 -0.152 -16.763 -5.190 34 HA ASN 5 HA ASN 5 0.927 -14.080 -5.257 35 1HB ASN 5 1HB ASN 5 0.732 -14.784 -7.595 36 2HB ASN 5 2HB ASN 5 -0.884 -14.839 -7.367 37 1HD2 ASN 5 1HD2 ASN 5 -2.146 -12.914 -7.367 38 2HD2 ASN 5 2HD2 ASN 5 -1.424 -11.402 -7.806 39 H LYS 6 H LYS 6 -2.245 -15.692 -5.470 40 HA LYS 6 HA LYS 6 -3.057 -14.369 -2.997 41 1HB LYS 6 1HB LYS 6 -3.766 -12.919 -4.786 42 2HB LYS 6 2HB LYS 6 -4.725 -14.129 -5.318 43 1HG LYS 6 1HG LYS 6 -5.931 -14.033 -3.227 44 2HG LYS 6 2HG LYS 6 -5.024 -12.744 -2.798 45 1HD LYS 6 1HD LYS 6 -5.924 -11.517 -4.645 46 2HD LYS 6 2HD LYS 6 -6.858 -12.801 -5.029 47 1HE LYS 6 1HE LYS 6 -8.306 -11.417 -3.940 48 2HE LYS 6 2HE LYS 6 -7.887 -12.489 -2.781 49 1HZ LYS 6 1HZ LYS 6 -7.803 -10.300 -1.937 50 2HZ LYS 6 2HZ LYS 6 -6.730 -9.890 -3.097 51 3HZ LYS 6 3HZ LYS 6 -6.311 -10.962 -1.938 52 HA PRO 7 HA PRO 7 -4.333 -18.747 -2.941 53 1HB PRO 7 1HB PRO 7 -4.093 -19.214 -0.323 54 2HB PRO 7 2HB PRO 7 -2.781 -19.246 -1.296 55 1HG PRO 7 1HG PRO 7 -3.638 -17.088 0.415 56 2HG PRO 7 2HG PRO 7 -2.114 -17.631 0.191 57 1HD PRO 7 1HD PRO 7 -2.941 -15.494 -1.070 58 2HD PRO 7 2HD PRO 7 -1.877 -16.505 -1.786 59 H ARG 8 H ARG 8 -5.927 -16.819 -0.456 60 HA ARG 8 HA ARG 8 -8.298 -18.391 -0.811 61 1HB ARG 8 1HB ARG 8 -9.233 -17.242 0.937 62 2HB ARG 8 2HB ARG 8 -7.702 -17.635 1.348 63 1HG ARG 8 1HG ARG 8 -7.038 -15.378 1.086 64 2HG ARG 8 2HG ARG 8 -8.552 -14.974 0.625 65 1HD ARG 8 1HD ARG 8 -9.363 -15.579 2.800 66 2HD ARG 8 2HD ARG 8 -7.839 -15.947 3.258 67 HE ARG 8 HE ARG 8 -7.805 -13.323 2.350 68 1HH1 ARG 8 1HH1 ARG 8 -9.063 -15.080 5.163 69 2HH1 ARG 8 2HH1 ARG 8 -9.027 -13.658 6.151 70 1HH2 ARG 8 1HH2 ARG 8 -7.807 -11.591 3.693 71 2HH2 ARG 8 2HH2 ARG 8 -8.332 -11.731 5.337 72 H ARG 9 H ARG 9 -9.887 -18.300 -2.184 73 HA ARG 9 HA ARG 9 -10.392 -15.793 -3.631 74 1HB ARG 9 1HB ARG 9 -10.275 -18.432 -4.787 75 2HB ARG 9 2HB ARG 9 -10.803 -17.113 -5.592 76 1HG ARG 9 1HG ARG 9 -8.605 -16.173 -5.467 77 2HG ARG 9 2HG ARG 9 -8.084 -17.518 -4.700 78 1HD ARG 9 1HD ARG 9 -8.595 -18.803 -6.673 79 2HD ARG 9 2HD ARG 9 -9.018 -17.422 -7.436 80 HE ARG 9 HE ARG 9 -6.421 -17.167 -6.379 81 1HH1 ARG 9 1HH1 ARG 9 -8.067 -18.576 -9.187 82 2HH1 ARG 9 2HH1 ARG 9 -6.614 -18.561 -10.129 83 1HH2 ARG 9 1HH2 ARG 9 -4.648 -17.214 -7.649 84 2HH2 ARG 9 2HH2 ARG 9 -4.721 -17.806 -9.275 85 HA PRO 10 HA PRO 10 -14.417 -16.932 -1.870 86 1HB PRO 10 1HB PRO 10 -15.727 -14.626 -2.163 87 2HB PRO 10 2HB PRO 10 -14.569 -14.744 -1.018 88 1HG PRO 10 1HG PRO 10 -14.314 -13.571 -3.646 89 2HG PRO 10 2HG PRO 10 -13.750 -12.971 -2.235 90 1HD PRO 10 1HD PRO 10 -12.159 -14.284 -3.864 91 2HD PRO 10 2HD PRO 10 -11.923 -14.338 -2.248 92 H TYR 11 H TYR 11 -14.726 -15.552 -5.065 93 HA TYR 11 HA TYR 11 -16.968 -17.313 -5.564 94 1HB TYR 11 1HB TYR 11 -17.238 -16.206 -7.584 95 2HB TYR 11 2HB TYR 11 -17.100 -15.106 -6.385 96 HD1 TYR 11 HD1 TYR 11 -15.534 -16.354 -9.360 97 HD2 TYR 11 HD2 TYR 11 -15.276 -13.484 -6.374 98 HE1 TYR 11 HE1 TYR 11 -13.890 -15.174 -10.633 99 HE2 TYR 11 HE2 TYR 11 -13.640 -12.301 -7.657 100 HH TYR 11 HH TYR 11 -12.414 -12.145 -9.497 101 H ILE 12 H ILE 12 -17.049 -19.265 -6.462 102 HA ILE 12 HA ILE 12 -14.622 -20.355 -7.764 103 HB ILE 12 HB ILE 12 -16.718 -21.785 -6.506 104 1HG1 ILE 12 1HG1 ILE 12 -13.983 -21.814 -5.580 105 2HG1 ILE 12 2HG1 ILE 12 -15.074 -20.754 -4.983 106 1HG2 ILE 12 1HG2 ILE 12 -15.401 -23.794 -6.931 107 2HG2 ILE 12 2HG2 ILE 12 -14.341 -22.889 -7.782 108 3HG2 ILE 12 3HG2 ILE 12 -15.868 -23.086 -8.326 109 1HD1 ILE 12 1HD1 ILE 12 -14.817 -22.587 -3.496 110 2HD1 ILE 12 2HD1 ILE 12 -15.249 -23.622 -4.682 111 3HD1 ILE 12 3HD1 ILE 12 -16.339 -22.564 -4.085 112 H LEU 13 H LEU 13 -14.713 -19.797 -9.923 113 HA LEU 13 HA LEU 13 -17.230 -20.186 -11.428 114 1HB LEU 13 1HB LEU 13 -16.174 -17.949 -11.264 115 2HB LEU 13 2HB LEU 13 -15.024 -18.554 -12.254 116 HG LEU 13 HG LEU 13 -17.767 -18.434 -13.032 117 1HD1 LEU 13 1HD1 LEU 13 -17.245 -16.376 -14.238 118 2HD1 LEU 13 2HD1 LEU 13 -15.746 -16.404 -13.590 119 3HD1 LEU 13 3HD1 LEU 13 -17.046 -16.171 -12.630 120 1HD2 LEU 13 1HD2 LEU 13 -16.987 -18.547 -15.290 121 2HD2 LEU 13 2HD2 LEU 13 -16.529 -19.861 -14.436 122 3HD2 LEU 13 3HD2 LEU 13 -15.455 -18.670 -14.741 123 HXT LEU 13 HXT LEU 13 -14.184 -22.040 -13.031 Start of MODEL 4 1 HN PCA 1 HN PCA 1 8.531 -18.243 6.364 2 HA PCA 1 HA PCA 1 10.974 -18.935 6.939 3 1HB PCA 1 1HB PCA 1 9.724 -20.532 9.017 4 2HB PCA 1 2HB PCA 1 11.137 -19.722 9.142 5 1HG PCA 1 1HG PCA 1 8.899 -18.811 10.257 6 2HG PCA 1 2HG PCA 1 10.105 -17.804 9.811 7 H LEU 2 H LEU 2 8.363 -20.678 5.832 8 HA LEU 2 HA LEU 2 9.726 -22.586 4.741 9 1HB LEU 2 1HB LEU 2 9.775 -23.688 6.901 10 2HB LEU 2 2HB LEU 2 8.151 -23.831 6.811 11 HG LEU 2 HG LEU 2 8.486 -25.204 4.840 12 1HD1 LEU 2 1HD1 LEU 2 10.615 -26.261 4.523 13 2HD1 LEU 2 2HD1 LEU 2 11.252 -25.301 5.680 14 3HD1 LEU 2 3HD1 LEU 2 10.720 -24.649 4.281 15 1HD2 LEU 2 1HD2 LEU 2 9.003 -27.202 6.108 16 2HD2 LEU 2 2HD2 LEU 2 7.965 -26.248 6.932 17 3HD2 LEU 2 3HD2 LEU 2 9.549 -26.267 7.329 18 H TYR 3 H TYR 3 6.363 -22.288 5.869 19 HA TYR 3 HA TYR 3 5.433 -23.023 3.235 20 1HB TYR 3 1HB TYR 3 4.113 -22.677 5.779 21 2HB TYR 3 2HB TYR 3 3.218 -22.802 4.418 22 HD1 TYR 3 HD1 TYR 3 3.073 -24.948 3.203 23 HD2 TYR 3 HD2 TYR 3 5.118 -24.663 6.804 24 HE1 TYR 3 HE1 TYR 3 3.058 -27.330 3.403 25 HE2 TYR 3 HE2 TYR 3 5.102 -27.047 6.997 26 HH TYR 3 HH TYR 3 4.511 -29.022 6.169 27 H GLU 4 H GLU 4 5.410 -21.573 1.604 28 HA GLU 4 HA GLU 4 4.581 -18.816 2.052 29 1HB GLU 4 1HB GLU 4 6.383 -19.428 0.542 30 2HB GLU 4 2HB GLU 4 5.269 -20.137 -0.420 31 1HG GLU 4 1HG GLU 4 5.792 -18.076 -1.355 32 2HG GLU 4 2HG GLU 4 4.266 -17.983 -0.779 33 H ASN 5 H ASN 5 2.504 -18.483 2.626 34 HA ASN 5 HA ASN 5 0.421 -20.158 1.494 35 1HB ASN 5 1HB ASN 5 0.630 -19.597 3.893 36 2HB ASN 5 2HB ASN 5 0.137 -18.091 3.498 37 1HD2 ASN 5 1HD2 ASN 5 -0.886 -21.387 3.874 38 2HD2 ASN 5 2HD2 ASN 5 -2.584 -21.051 3.845 39 H LYS 6 H LYS 6 -0.749 -19.833 -0.253 40 HA LYS 6 HA LYS 6 -0.857 -17.167 -1.403 41 1HB LYS 6 1HB LYS 6 -1.576 -19.748 -2.494 42 2HB LYS 6 2HB LYS 6 -1.801 -18.357 -3.319 43 1HG LYS 6 1HG LYS 6 0.554 -18.012 -3.391 44 2HG LYS 6 2HG LYS 6 0.785 -19.394 -2.552 45 1HD LYS 6 1HD LYS 6 -0.080 -20.656 -4.366 46 2HD LYS 6 2HD LYS 6 -0.356 -19.281 -5.203 47 1HE LYS 6 1HE LYS 6 1.563 -20.199 -6.109 48 2HE LYS 6 2HE LYS 6 2.062 -18.923 -5.220 49 1HZ LYS 6 1HZ LYS 6 3.443 -20.779 -4.830 50 2HZ LYS 6 2HZ LYS 6 2.146 -21.649 -4.354 51 3HZ LYS 6 3HZ LYS 6 2.644 -20.373 -3.465 52 HA PRO 7 HA PRO 7 -4.924 -16.539 0.442 53 1HB PRO 7 1HB PRO 7 -4.929 -14.219 -1.350 54 2HB PRO 7 2HB PRO 7 -5.340 -14.206 0.230 55 1HG PRO 7 1HG PRO 7 -3.042 -13.264 -0.419 56 2HG PRO 7 2HG PRO 7 -3.133 -14.197 0.918 57 1HD PRO 7 1HD PRO 7 -2.151 -14.952 -1.680 58 2HD PRO 7 2HD PRO 7 -1.579 -15.425 -0.225 59 H ARG 8 H ARG 8 -6.815 -17.357 0.314 60 HA ARG 8 HA ARG 8 -7.658 -18.296 -2.278 61 1HB ARG 8 1HB ARG 8 -8.666 -18.820 0.380 62 2HB ARG 8 2HB ARG 8 -9.398 -19.426 -0.949 63 1HG ARG 8 1HG ARG 8 -7.428 -20.692 -1.437 64 2HG ARG 8 2HG ARG 8 -6.730 -20.111 -0.080 65 1HD ARG 8 1HD ARG 8 -9.116 -21.722 0.040 66 2HD ARG 8 2HD ARG 8 -7.629 -22.396 0.087 67 HE ARG 8 HE ARG 8 -7.729 -20.435 2.060 68 1HH1 ARG 8 1HH1 ARG 8 -9.101 -23.660 1.533 69 2HH1 ARG 8 2HH1 ARG 8 -9.245 -23.949 3.235 70 1HH2 ARG 8 1HH2 ARG 8 -7.943 -20.911 4.181 71 2HH2 ARG 8 2HH2 ARG 8 -8.604 -22.426 4.699 72 H ARG 9 H ARG 9 -8.909 -17.218 -3.695 73 HA ARG 9 HA ARG 9 -10.589 -15.061 -2.833 74 1HB ARG 9 1HB ARG 9 -10.133 -16.221 -5.447 75 2HB ARG 9 2HB ARG 9 -11.162 -14.972 -5.228 76 1HG ARG 9 1HG ARG 9 -9.335 -13.591 -4.562 77 2HG ARG 9 2HG ARG 9 -8.310 -14.840 -4.801 78 1HD ARG 9 1HD ARG 9 -9.849 -13.728 -6.971 79 2HD ARG 9 2HD ARG 9 -8.360 -13.165 -6.603 80 HE ARG 9 HE ARG 9 -8.034 -15.870 -6.892 81 1HH1 ARG 9 1HH1 ARG 9 -9.010 -13.256 -9.080 82 2HH1 ARG 9 2HH1 ARG 9 -8.416 -14.108 -10.466 83 1HH2 ARG 9 1HH2 ARG 9 -7.307 -16.844 -8.706 84 2HH2 ARG 9 2HH2 ARG 9 -7.475 -16.093 -10.257 85 HA PRO 10 HA PRO 10 -14.195 -17.675 -2.186 86 1HB PRO 10 1HB PRO 10 -15.609 -15.089 -2.141 87 2HB PRO 10 2HB PRO 10 -15.779 -16.272 -1.028 88 1HG PRO 10 1HG PRO 10 -14.389 -14.211 -0.389 89 2HG PRO 10 2HG PRO 10 -13.831 -15.678 0.062 90 1HD PRO 10 1HD PRO 10 -12.922 -14.063 -2.145 91 2HD PRO 10 2HD PRO 10 -12.011 -14.976 -1.144 92 H TYR 11 H TYR 11 -14.137 -15.758 -4.931 93 HA TYR 11 HA TYR 11 -16.604 -16.782 -5.980 94 1HB TYR 11 1HB TYR 11 -14.558 -15.117 -7.171 95 2HB TYR 11 2HB TYR 11 -15.914 -15.545 -7.975 96 HD1 TYR 11 HD1 TYR 11 -18.121 -14.567 -7.304 97 HD2 TYR 11 HD2 TYR 11 -14.555 -13.250 -5.635 98 HE1 TYR 11 HE1 TYR 11 -19.221 -12.606 -6.489 99 HE2 TYR 11 HE2 TYR 11 -15.663 -11.297 -4.818 100 HH TYR 11 HH TYR 11 -17.496 -10.097 -4.632 101 H ILE 12 H ILE 12 -16.639 -18.991 -6.170 102 HA ILE 12 HA ILE 12 -14.881 -20.113 -8.224 103 HB ILE 12 HB ILE 12 -15.019 -22.232 -7.188 104 1HG1 ILE 12 1HG1 ILE 12 -15.573 -21.046 -4.654 105 2HG1 ILE 12 2HG1 ILE 12 -16.739 -21.743 -5.560 106 1HG2 ILE 12 1HG2 ILE 12 -13.115 -21.808 -5.707 107 2HG2 ILE 12 2HG2 ILE 12 -13.439 -20.211 -5.802 108 3HG2 ILE 12 3HG2 ILE 12 -12.955 -21.026 -7.131 109 1HD1 ILE 12 1HD1 ILE 12 -15.986 -23.258 -3.892 110 2HD1 ILE 12 2HD1 ILE 12 -14.462 -23.147 -4.467 111 3HD1 ILE 12 3HD1 ILE 12 -15.628 -23.845 -5.373 112 H LEU 13 H LEU 13 -16.003 -20.455 -10.090 113 HA LEU 13 HA LEU 13 -18.623 -21.718 -9.959 114 1HB LEU 13 1HB LEU 13 -18.117 -19.326 -11.471 115 2HB LEU 13 2HB LEU 13 -19.418 -20.278 -11.734 116 HG LEU 13 HG LEU 13 -18.977 -18.899 -9.261 117 1HD1 LEU 13 1HD1 LEU 13 -20.621 -17.280 -9.993 118 2HD1 LEU 13 2HD1 LEU 13 -20.681 -18.023 -11.446 119 3HD1 LEU 13 3HD1 LEU 13 -19.315 -17.264 -10.974 120 1HD2 LEU 13 1HD2 LEU 13 -21.288 -19.309 -8.794 121 2HD2 LEU 13 2HD2 LEU 13 -20.469 -20.709 -8.981 122 3HD2 LEU 13 3HD2 LEU 13 -21.411 -20.146 -10.191 123 HXT LEU 13 HXT LEU 13 -16.309 -22.287 -13.116 Start of MODEL 5 1 HN PCA 1 HN PCA 1 10.473 -31.979 1.270 2 HA PCA 1 HA PCA 1 8.136 -31.741 0.385 3 1HB PCA 1 1HB PCA 1 6.918 -33.001 1.893 4 2HB PCA 1 2HB PCA 1 6.662 -31.563 2.625 5 1HG PCA 1 1HG PCA 1 8.130 -32.030 4.286 6 2HG PCA 1 2HG PCA 1 7.936 -33.586 3.828 7 H LEU 2 H LEU 2 7.068 -29.766 -0.099 8 HA LEU 2 HA LEU 2 8.447 -27.444 0.647 9 1HB LEU 2 1HB LEU 2 9.111 -28.048 -1.647 10 2HB LEU 2 2HB LEU 2 7.536 -27.937 -2.062 11 HG LEU 2 HG LEU 2 7.634 -25.597 -1.496 12 1HD1 LEU 2 1HD1 LEU 2 9.755 -24.496 -1.381 13 2HD1 LEU 2 2HD1 LEU 2 10.499 -25.949 -1.390 14 3HD1 LEU 2 3HD1 LEU 2 9.557 -25.522 -0.127 15 1HD2 LEU 2 1HD2 LEU 2 8.732 -24.942 -3.558 16 2HD2 LEU 2 2HD2 LEU 2 7.782 -26.249 -3.799 17 3HD2 LEU 2 3HD2 LEU 2 9.399 -26.430 -3.654 18 H TYR 3 H TYR 3 7.197 -25.715 1.219 19 HA TYR 3 HA TYR 3 4.386 -26.169 1.624 20 1HB TYR 3 1HB TYR 3 5.823 -24.921 3.155 21 2HB TYR 3 2HB TYR 3 5.941 -23.749 2.023 22 HD1 TYR 3 HD1 TYR 3 3.745 -25.189 4.477 23 HD2 TYR 3 HD2 TYR 3 4.123 -22.144 1.680 24 HE1 TYR 3 HE1 TYR 3 1.799 -24.121 5.369 25 HE2 TYR 3 HE2 TYR 3 2.166 -21.091 2.564 26 HH TYR 3 HH TYR 3 0.529 -21.069 4.035 27 H GLU 4 H GLU 4 2.832 -26.165 0.145 28 HA GLU 4 HA GLU 4 3.008 -24.418 -2.129 29 1HB GLU 4 1HB GLU 4 1.046 -26.389 -1.353 30 2HB GLU 4 2HB GLU 4 0.810 -25.436 -2.657 31 1HG GLU 4 1HG GLU 4 2.818 -26.431 -3.625 32 2HG GLU 4 2HG GLU 4 2.798 -27.504 -2.394 33 H ASN 5 H ASN 5 2.666 -22.240 -1.866 34 HA ASN 5 HA ASN 5 0.522 -21.247 -0.168 35 1HB ASN 5 1HB ASN 5 2.701 -20.164 -0.425 36 2HB ASN 5 2HB ASN 5 2.244 -19.760 -1.941 37 1HD2 ASN 5 1HD2 ASN 5 0.775 -18.015 -2.309 38 2HD2 ASN 5 2HD2 ASN 5 0.320 -16.973 -1.003 39 H LYS 6 H LYS 6 -1.445 -22.028 -0.828 40 HA LYS 6 HA LYS 6 -2.318 -21.528 -3.551 41 1HB LYS 6 1HB LYS 6 -3.555 -22.944 -1.349 42 2HB LYS 6 2HB LYS 6 -4.296 -22.758 -2.793 43 1HG LYS 6 1HG LYS 6 -1.807 -24.174 -2.620 44 2HG LYS 6 2HG LYS 6 -3.218 -24.947 -2.337 45 1HD LYS 6 1HD LYS 6 -3.926 -24.540 -4.547 46 2HD LYS 6 2HD LYS 6 -2.587 -23.652 -4.841 47 1HE LYS 6 1HE LYS 6 -2.308 -26.432 -4.181 48 2HE LYS 6 2HE LYS 6 -2.648 -26.003 -5.719 49 1HZ LYS 6 1HZ LYS 6 -0.333 -26.251 -5.434 50 2HZ LYS 6 2HZ LYS 6 -0.356 -25.128 -4.249 51 3HZ LYS 6 3HZ LYS 6 -0.697 -24.699 -5.787 52 HA PRO 7 HA PRO 7 -4.120 -17.606 -2.220 53 1HB PRO 7 1HB PRO 7 -5.131 -17.525 -4.959 54 2HB PRO 7 2HB PRO 7 -4.327 -16.325 -4.197 55 1HG PRO 7 1HG PRO 7 -3.063 -17.687 -5.972 56 2HG PRO 7 2HG PRO 7 -2.270 -17.297 -4.598 57 1HD PRO 7 1HD PRO 7 -3.466 -19.838 -5.266 58 2HD PRO 7 2HD PRO 7 -2.042 -19.583 -4.508 59 H ARG 8 H ARG 8 -5.747 -16.971 -1.065 60 HA ARG 8 HA ARG 8 -8.171 -18.551 -1.251 61 1HB ARG 8 1HB ARG 8 -7.223 -16.730 0.777 62 2HB ARG 8 2HB ARG 8 -8.717 -17.386 0.846 63 1HG ARG 8 1HG ARG 8 -7.724 -19.563 1.018 64 2HG ARG 8 2HG ARG 8 -6.246 -18.868 1.024 65 1HD ARG 8 1HD ARG 8 -8.160 -18.317 3.104 66 2HD ARG 8 2HD ARG 8 -7.105 -19.557 3.227 67 HE ARG 8 HE ARG 8 -5.626 -17.274 2.671 68 1HH1 ARG 8 1HH1 ARG 8 -7.488 -18.526 5.416 69 2HH1 ARG 8 2HH1 ARG 8 -6.531 -17.637 6.554 70 1HH2 ARG 8 1HH2 ARG 8 -4.471 -16.219 4.196 71 2HH2 ARG 8 2HH2 ARG 8 -4.862 -16.362 5.877 72 H ARG 9 H ARG 9 -9.712 -18.020 -2.687 73 HA ARG 9 HA ARG 9 -10.629 -15.246 -2.752 74 1HB ARG 9 1HB ARG 9 -10.288 -16.957 -5.055 75 2HB ARG 9 2HB ARG 9 -11.130 -15.559 -5.115 76 1HG ARG 9 1HG ARG 9 -8.306 -15.649 -4.567 77 2HG ARG 9 2HG ARG 9 -8.910 -15.418 -6.066 78 1HD ARG 9 1HD ARG 9 -9.920 -13.364 -5.298 79 2HD ARG 9 2HD ARG 9 -9.195 -13.582 -3.851 80 HE ARG 9 HE ARG 9 -7.164 -13.727 -5.693 81 1HH1 ARG 9 1HH1 ARG 9 -9.386 -11.175 -4.631 82 2HH1 ARG 9 2HH1 ARG 9 -8.276 -9.928 -5.090 83 1HH2 ARG 9 1HH2 ARG 9 -5.848 -12.071 -6.239 84 2HH2 ARG 9 2HH2 ARG 9 -6.320 -10.425 -5.979 85 HA PRO 10 HA PRO 10 -14.538 -17.445 -2.053 86 1HB PRO 10 1HB PRO 10 -16.211 -15.379 -1.740 87 2HB PRO 10 2HB PRO 10 -15.077 -15.617 -0.589 88 1HG PRO 10 1HG PRO 10 -14.951 -13.751 -2.799 89 2HG PRO 10 2HG PRO 10 -14.602 -13.447 -1.233 90 1HD PRO 10 1HD PRO 10 -12.689 -14.002 -2.955 91 2HD PRO 10 2HD PRO 10 -12.542 -14.417 -1.382 92 H TYR 11 H TYR 11 -13.955 -16.238 -4.980 93 HA TYR 11 HA TYR 11 -16.563 -16.845 -6.066 94 1HB TYR 11 1HB TYR 11 -14.151 -15.807 -7.268 95 2HB TYR 11 2HB TYR 11 -15.434 -16.231 -8.186 96 HD1 TYR 11 HD1 TYR 11 -17.502 -14.866 -8.163 97 HD2 TYR 11 HD2 TYR 11 -14.134 -13.693 -6.038 98 HE1 TYR 11 HE1 TYR 11 -18.426 -12.675 -7.903 99 HE2 TYR 11 HE2 TYR 11 -15.068 -11.508 -5.773 100 HH TYR 11 HH TYR 11 -16.707 -10.090 -6.148 101 H ILE 12 H ILE 12 -17.227 -18.884 -6.477 102 HA ILE 12 HA ILE 12 -15.322 -20.998 -7.137 103 HB ILE 12 HB ILE 12 -18.123 -21.156 -6.728 104 1HG1 ILE 12 1HG1 ILE 12 -16.197 -22.256 -4.880 105 2HG1 ILE 12 2HG1 ILE 12 -16.772 -20.737 -4.701 106 1HG2 ILE 12 1HG2 ILE 12 -17.842 -23.582 -6.673 107 2HG2 ILE 12 2HG2 ILE 12 -16.273 -23.382 -7.079 108 3HG2 ILE 12 3HG2 ILE 12 -17.448 -22.971 -8.136 109 1HD1 ILE 12 1HD1 ILE 12 -17.921 -22.222 -3.247 110 2HD1 ILE 12 2HD1 ILE 12 -18.388 -23.127 -4.524 111 3HD1 ILE 12 3HD1 ILE 12 -18.962 -21.609 -4.345 112 H LEU 13 H LEU 13 -14.439 -20.827 -9.156 113 HA LEU 13 HA LEU 13 -16.154 -20.141 -11.414 114 1HB LEU 13 1HB LEU 13 -13.271 -20.101 -11.190 115 2HB LEU 13 2HB LEU 13 -14.066 -19.735 -12.569 116 HG LEU 13 HG LEU 13 -14.296 -18.157 -10.187 117 1HD1 LEU 13 1HD1 LEU 13 -12.751 -16.588 -11.202 118 2HD1 LEU 13 2HD1 LEU 13 -12.537 -17.628 -12.442 119 3HD1 LEU 13 3HD1 LEU 13 -12.026 -18.028 -10.944 120 1HD2 LEU 13 1HD2 LEU 13 -15.164 -16.432 -11.598 121 2HD2 LEU 13 2HD2 LEU 13 -16.099 -17.769 -11.661 122 3HD2 LEU 13 3HD2 LEU 13 -15.061 -17.441 -12.877 123 HXT LEU 13 HXT LEU 13 -14.435 -23.626 -11.990 Start of MODEL 6 1 HN PCA 1 HN PCA 1 -5.455 -29.004 13.150 2 HA PCA 1 HA PCA 1 -5.899 -27.989 10.771 3 1HB PCA 1 1HB PCA 1 -4.009 -26.911 9.953 4 2HB PCA 1 2HB PCA 1 -3.016 -28.062 10.550 5 1HG PCA 1 1HG PCA 1 -2.570 -26.476 12.135 6 2HG PCA 1 2HG PCA 1 -4.005 -25.729 11.912 7 H LEU 2 H LEU 2 -5.793 -29.244 8.800 8 HA LEU 2 HA LEU 2 -5.243 -31.800 8.825 9 1HB LEU 2 1HB LEU 2 -7.109 -32.143 10.282 10 2HB LEU 2 2HB LEU 2 -8.089 -31.584 9.101 11 HG LEU 2 HG LEU 2 -7.380 -33.457 7.750 12 1HD1 LEU 2 1HD1 LEU 2 -6.420 -35.372 8.821 13 2HD1 LEU 2 2HD1 LEU 2 -6.251 -34.507 10.195 14 3HD1 LEU 2 3HD1 LEU 2 -5.395 -34.102 8.865 15 1HD2 LEU 2 1HD2 LEU 2 -8.846 -35.045 8.849 16 2HD2 LEU 2 2HD2 LEU 2 -9.501 -33.550 8.865 17 3HD2 LEU 2 3HD2 LEU 2 -8.781 -34.140 10.206 18 H TYR 3 H TYR 3 -7.956 -30.135 7.249 19 HA TYR 3 HA TYR 3 -6.663 -30.519 4.628 20 1HB TYR 3 1HB TYR 3 -8.936 -31.317 5.071 21 2HB TYR 3 2HB TYR 3 -9.384 -29.753 5.212 22 HD1 TYR 3 HD1 TYR 3 -8.340 -32.253 2.835 23 HD2 TYR 3 HD2 TYR 3 -9.764 -28.378 3.251 24 HE1 TYR 3 HE1 TYR 3 -8.752 -32.149 0.481 25 HE2 TYR 3 HE2 TYR 3 -10.154 -28.271 0.894 26 HH TYR 3 HH TYR 3 -10.100 -29.237 -1.079 27 H GLU 4 H GLU 4 -5.013 -29.017 4.488 28 HA GLU 4 HA GLU 4 -5.591 -26.271 4.959 29 1HB GLU 4 1HB GLU 4 -3.353 -25.835 4.383 30 2HB GLU 4 2HB GLU 4 -3.412 -27.106 5.406 31 1HG GLU 4 1HG GLU 4 -2.690 -28.562 3.835 32 2HG GLU 4 2HG GLU 4 -3.139 -27.593 2.600 33 H ASN 5 H ASN 5 -5.998 -24.499 3.712 34 HA ASN 5 HA ASN 5 -6.288 -24.952 0.824 35 1HB ASN 5 1HB ASN 5 -8.033 -23.441 2.535 36 2HB ASN 5 2HB ASN 5 -8.055 -23.272 0.910 37 1HD2 ASN 5 1HD2 ASN 5 -9.121 -25.176 3.547 38 2HD2 ASN 5 2HD2 ASN 5 -10.062 -26.292 2.615 39 H LYS 6 H LYS 6 -4.441 -24.072 -0.088 40 HA LYS 6 HA LYS 6 -3.324 -21.656 0.949 41 1HB LYS 6 1HB LYS 6 -2.492 -23.341 -1.237 42 2HB LYS 6 2HB LYS 6 -1.703 -21.956 -0.884 43 1HG LYS 6 1HG LYS 6 -1.167 -22.850 1.279 44 2HG LYS 6 2HG LYS 6 -1.887 -24.253 0.853 45 1HD LYS 6 1HD LYS 6 0.308 -23.377 -0.723 46 2HD LYS 6 2HD LYS 6 0.641 -23.996 0.751 47 1HE LYS 6 1HE LYS 6 0.927 -25.778 -0.608 48 2HE LYS 6 2HE LYS 6 -0.586 -26.014 -0.042 49 1HZ LYS 6 1HZ LYS 6 -0.511 -26.387 -2.350 50 2HZ LYS 6 2HZ LYS 6 0.047 -24.870 -2.582 51 3HZ LYS 6 3HZ LYS 6 -1.466 -25.106 -2.016 52 HA PRO 7 HA PRO 7 -4.824 -19.039 -2.592 53 1HB PRO 7 1HB PRO 7 -6.258 -19.979 -4.589 54 2HB PRO 7 2HB PRO 7 -4.650 -20.259 -4.603 55 1HG PRO 7 1HG PRO 7 -6.734 -22.088 -3.779 56 2HG PRO 7 2HG PRO 7 -5.452 -22.419 -4.735 57 1HD PRO 7 1HD PRO 7 -5.413 -22.996 -2.161 58 2HD PRO 7 2HD PRO 7 -4.037 -22.633 -2.964 59 H ARG 8 H ARG 8 -5.877 -17.605 -1.481 60 HA ARG 8 HA ARG 8 -8.579 -18.188 -0.559 61 1HB ARG 8 1HB ARG 8 -6.884 -17.146 0.852 62 2HB ARG 8 2HB ARG 8 -6.973 -15.827 -0.107 63 1HG ARG 8 1HG ARG 8 -9.232 -15.488 0.573 64 2HG ARG 8 2HG ARG 8 -9.138 -16.804 1.536 65 1HD ARG 8 1HD ARG 8 -7.488 -14.484 1.983 66 2HD ARG 8 2HD ARG 8 -8.943 -14.659 2.703 67 HE ARG 8 HE ARG 8 -7.576 -16.957 3.308 68 1HH1 ARG 8 1HH1 ARG 8 -7.172 -13.526 4.103 69 2HH1 ARG 8 2HH1 ARG 8 -6.298 -13.897 5.551 70 1HH2 ARG 8 1HH2 ARG 8 -6.448 -17.309 5.142 71 2HH2 ARG 8 2HH2 ARG 8 -5.898 -15.993 6.125 72 H ARG 9 H ARG 9 -10.037 -18.321 -2.183 73 HA ARG 9 HA ARG 9 -10.555 -15.847 -3.669 74 1HB ARG 9 1HB ARG 9 -10.574 -18.538 -4.714 75 2HB ARG 9 2HB ARG 9 -11.304 -17.308 -5.502 76 1HG ARG 9 1HG ARG 9 -8.479 -17.278 -4.978 77 2HG ARG 9 2HG ARG 9 -9.085 -17.964 -6.330 78 1HD ARG 9 1HD ARG 9 -9.463 -15.167 -5.746 79 2HD ARG 9 2HD ARG 9 -8.208 -15.706 -6.642 80 HE ARG 9 HE ARG 9 -10.518 -16.742 -7.778 81 1HH1 ARG 9 1HH1 ARG 9 -9.020 -13.542 -7.495 82 2HH1 ARG 9 2HH1 ARG 9 -9.798 -12.980 -8.937 83 1HH2 ARG 9 1HH2 ARG 9 -11.432 -15.937 -9.579 84 2HH2 ARG 9 2HH2 ARG 9 -11.135 -14.310 -10.090 85 HA PRO 10 HA PRO 10 -14.614 -16.651 -1.752 86 1HB PRO 10 1HB PRO 10 -15.813 -14.335 -2.248 87 2HB PRO 10 2HB PRO 10 -14.659 -14.399 -1.094 88 1HG PRO 10 1HG PRO 10 -14.368 -13.458 -3.808 89 2HG PRO 10 2HG PRO 10 -13.766 -12.774 -2.452 90 1HD PRO 10 1HD PRO 10 -12.261 -14.298 -3.995 91 2HD PRO 10 2HD PRO 10 -11.986 -14.192 -2.389 92 H TYR 11 H TYR 11 -14.934 -15.385 -5.013 93 HA TYR 11 HA TYR 11 -17.046 -17.312 -5.495 94 1HB TYR 11 1HB TYR 11 -17.373 -16.274 -7.541 95 2HB TYR 11 2HB TYR 11 -17.360 -15.151 -6.355 96 HD1 TYR 11 HD1 TYR 11 -15.622 -16.290 -9.276 97 HD2 TYR 11 HD2 TYR 11 -15.710 -13.354 -6.344 98 HE1 TYR 11 HE1 TYR 11 -14.063 -14.985 -10.534 99 HE2 TYR 11 HE2 TYR 11 -14.149 -12.052 -7.606 100 HH TYR 11 HH TYR 11 -12.858 -11.835 -9.390 101 H ILE 12 H ILE 12 -16.866 -19.344 -6.215 102 HA ILE 12 HA ILE 12 -14.351 -20.216 -7.468 103 HB ILE 12 HB ILE 12 -15.069 -21.364 -5.586 104 1HG1 ILE 12 1HG1 ILE 12 -15.027 -23.238 -7.787 105 2HG1 ILE 12 2HG1 ILE 12 -13.690 -22.387 -7.395 106 1HG2 ILE 12 1HG2 ILE 12 -16.813 -22.992 -5.623 107 2HG2 ILE 12 2HG2 ILE 12 -17.318 -22.381 -7.050 108 3HG2 ILE 12 3HG2 ILE 12 -17.378 -21.462 -5.702 109 1HD1 ILE 12 1HD1 ILE 12 -13.568 -24.572 -6.468 110 2HD1 ILE 12 2HD1 ILE 12 -14.964 -24.317 -5.661 111 3HD1 ILE 12 3HD1 ILE 12 -13.627 -23.466 -5.268 112 H LEU 13 H LEU 13 -14.532 -19.007 -9.377 113 HA LEU 13 HA LEU 13 -16.055 -20.416 -11.422 114 1HB LEU 13 1HB LEU 13 -15.980 -17.547 -11.259 115 2HB LEU 13 2HB LEU 13 -16.571 -18.376 -12.536 116 HG LEU 13 HG LEU 13 -17.780 -18.481 -9.942 117 1HD1 LEU 13 1HD1 LEU 13 -19.428 -16.906 -10.751 118 2HD1 LEU 13 2HD1 LEU 13 -18.579 -16.754 -12.137 119 3HD1 LEU 13 3HD1 LEU 13 -17.943 -16.229 -10.728 120 1HD2 LEU 13 1HD2 LEU 13 -19.720 -19.321 -11.056 121 2HD2 LEU 13 2HD2 LEU 13 -18.438 -20.304 -11.288 122 3HD2 LEU 13 3HD2 LEU 13 -18.910 -19.285 -12.473 123 HXT LEU 13 HXT LEU 13 -12.582 -18.709 -12.312 Start of MODEL 7 1 HN PCA 1 HN PCA 1 2.052 -21.378 19.348 2 HA PCA 1 HA PCA 1 2.300 -22.208 16.866 3 1HB PCA 1 1HB PCA 1 -0.531 -22.746 17.098 4 2HB PCA 1 2HB PCA 1 0.568 -23.644 16.290 5 1HG PCA 1 1HG PCA 1 -0.383 -24.428 18.636 6 2HG PCA 1 2HG PCA 1 1.118 -24.853 18.151 7 H LEU 2 H LEU 2 1.897 -20.817 15.122 8 HA LEU 2 HA LEU 2 1.076 -18.237 15.805 9 1HB LEU 2 1HB LEU 2 2.719 -17.203 14.545 10 2HB LEU 2 2HB LEU 2 3.446 -18.076 15.718 11 HG LEU 2 HG LEU 2 3.853 -19.734 13.924 12 1HD1 LEU 2 1HD1 LEU 2 4.150 -18.846 11.720 13 2HD1 LEU 2 2HD1 LEU 2 3.492 -17.435 12.212 14 3HD1 LEU 2 3HD1 LEU 2 2.582 -18.791 12.171 15 1HD2 LEU 2 1HD2 LEU 2 5.947 -18.628 13.345 16 2HD2 LEU 2 2HD2 LEU 2 5.643 -18.487 14.943 17 3HD2 LEU 2 3HD2 LEU 2 5.349 -17.231 13.943 18 H TYR 3 H TYR 3 0.214 -16.944 14.072 19 HA TYR 3 HA TYR 3 -1.541 -18.566 12.466 20 1HB TYR 3 1HB TYR 3 -2.680 -16.561 12.003 21 2HB TYR 3 2HB TYR 3 -2.472 -16.750 13.612 22 HD1 TYR 3 HD1 TYR 3 -1.083 -15.172 14.896 23 HD2 TYR 3 HD2 TYR 3 -1.743 -14.633 10.834 24 HE1 TYR 3 HE1 TYR 3 -0.192 -12.958 15.042 25 HE2 TYR 3 HE2 TYR 3 -0.857 -12.415 10.989 26 HH TYR 3 HH TYR 3 0.044 -10.807 12.222 27 H GLU 4 H GLU 4 -1.060 -19.531 10.628 28 HA GLU 4 HA GLU 4 0.823 -18.302 8.792 29 1HB GLU 4 1HB GLU 4 0.836 -20.701 9.336 30 2HB GLU 4 2HB GLU 4 -0.543 -20.828 8.469 31 1HG GLU 4 1HG GLU 4 0.686 -20.039 6.531 32 2HG GLU 4 2HG GLU 4 2.052 -20.121 7.422 33 H ASN 5 H ASN 5 0.411 -16.989 7.120 34 HA ASN 5 HA ASN 5 -2.364 -16.578 6.358 35 1HB ASN 5 1HB ASN 5 0.000 -14.985 5.907 36 2HB ASN 5 2HB ASN 5 -1.432 -14.609 5.218 37 1HD2 ASN 5 1HD2 ASN 5 0.493 -14.239 7.993 38 2HD2 ASN 5 2HD2 ASN 5 -0.673 -13.381 8.944 39 H LYS 6 H LYS 6 -3.253 -17.813 4.794 40 HA LYS 6 HA LYS 6 -1.662 -18.391 2.390 41 1HB LYS 6 1HB LYS 6 -3.599 -20.089 3.675 42 2HB LYS 6 2HB LYS 6 -3.020 -20.387 2.177 43 1HG LYS 6 1HG LYS 6 -1.307 -20.354 4.489 44 2HG LYS 6 2HG LYS 6 -2.025 -21.724 3.963 45 1HD LYS 6 1HD LYS 6 -0.788 -21.620 1.941 46 2HD LYS 6 2HD LYS 6 -0.106 -20.213 2.412 47 1HE LYS 6 1HE LYS 6 1.014 -21.318 4.181 48 2HE LYS 6 2HE LYS 6 0.281 -22.724 3.792 49 1HZ LYS 6 1HZ LYS 6 2.478 -22.701 2.990 50 2HZ LYS 6 2HZ LYS 6 2.156 -21.348 2.134 51 3HZ LYS 6 3HZ LYS 6 1.422 -22.754 1.746 52 HA PRO 7 HA PRO 7 -4.961 -15.777 0.625 53 1HB PRO 7 1HB PRO 7 -3.332 -16.136 -1.776 54 2HB PRO 7 2HB PRO 7 -3.945 -14.722 -1.237 55 1HG PRO 7 1HG PRO 7 -1.436 -15.154 -0.897 56 2HG PRO 7 2HG PRO 7 -2.265 -14.464 0.329 57 1HD PRO 7 1HD PRO 7 -1.441 -17.219 0.106 58 2HD PRO 7 2HD PRO 7 -1.455 -16.294 1.452 59 H ARG 8 H ARG 8 -6.914 -16.067 -0.050 60 HA ARG 8 HA ARG 8 -7.439 -18.211 -1.924 61 1HB ARG 8 1HB ARG 8 -9.074 -19.259 -0.619 62 2HB ARG 8 2HB ARG 8 -7.608 -19.355 0.095 63 1HG ARG 8 1HG ARG 8 -8.253 -17.756 1.702 64 2HG ARG 8 2HG ARG 8 -9.695 -17.563 0.960 65 1HD ARG 8 1HD ARG 8 -8.945 -20.086 2.130 66 2HD ARG 8 2HD ARG 8 -9.730 -18.946 2.997 67 HE ARG 8 HE ARG 8 -11.267 -19.283 0.758 68 1HH1 ARG 8 1HH1 ARG 8 -10.327 -21.394 3.445 69 2HH1 ARG 8 2HH1 ARG 8 -11.748 -22.367 3.265 70 1HH2 ARG 8 1HH2 ARG 8 -13.021 -20.576 0.620 71 2HH2 ARG 8 2HH2 ARG 8 -13.240 -21.912 1.700 72 H ARG 9 H ARG 9 -8.911 -17.764 -3.493 73 HA ARG 9 HA ARG 9 -10.377 -15.290 -3.315 74 1HB ARG 9 1HB ARG 9 -10.096 -17.202 -5.472 75 2HB ARG 9 2HB ARG 9 -11.033 -15.871 -5.614 76 1HG ARG 9 1HG ARG 9 -9.103 -14.488 -5.436 77 2HG ARG 9 2HG ARG 9 -8.163 -15.815 -5.281 78 1HD ARG 9 1HD ARG 9 -8.712 -16.472 -7.509 79 2HD ARG 9 2HD ARG 9 -9.670 -15.158 -7.666 80 HE ARG 9 HE ARG 9 -7.166 -14.223 -6.944 81 1HH1 ARG 9 1HH1 ARG 9 -8.592 -15.758 -9.806 82 2HH1 ARG 9 2HH1 ARG 9 -7.413 -15.047 -10.857 83 1HH2 ARG 9 1HH2 ARG 9 -5.732 -13.381 -8.365 84 2HH2 ARG 9 2HH2 ARG 9 -5.832 -13.732 -10.058 85 HA PRO 10 HA PRO 10 -14.145 -17.440 -2.076 86 1HB PRO 10 1HB PRO 10 -15.753 -15.341 -1.637 87 2HB PRO 10 2HB PRO 10 -14.514 -15.588 -0.602 88 1HG PRO 10 1HG PRO 10 -14.582 -13.747 -2.833 89 2HG PRO 10 2HG PRO 10 -14.056 -13.440 -1.318 90 1HD PRO 10 1HD PRO 10 -12.355 -14.044 -3.233 91 2HD PRO 10 2HD PRO 10 -12.046 -14.457 -1.683 92 H TYR 11 H TYR 11 -14.009 -16.076 -5.064 93 HA TYR 11 HA TYR 11 -16.687 -16.831 -5.802 94 1HB TYR 11 1HB TYR 11 -14.501 -15.718 -7.339 95 2HB TYR 11 2HB TYR 11 -15.919 -16.128 -8.039 96 HD1 TYR 11 HD1 TYR 11 -17.959 -14.770 -7.628 97 HD2 TYR 11 HD2 TYR 11 -14.269 -13.627 -6.109 98 HE1 TYR 11 HE1 TYR 11 -18.822 -12.589 -7.165 99 HE2 TYR 11 HE2 TYR 11 -15.140 -11.449 -5.642 100 HH TYR 11 HH TYR 11 -16.841 -10.026 -5.699 101 H ILE 12 H ILE 12 -17.383 -18.834 -6.360 102 HA ILE 12 HA ILE 12 -15.486 -20.921 -7.118 103 HB ILE 12 HB ILE 12 -17.189 -21.214 -5.553 104 1HG1 ILE 12 1HG1 ILE 12 -16.069 -23.110 -6.337 105 2HG1 ILE 12 2HG1 ILE 12 -17.616 -23.493 -5.980 106 1HG2 ILE 12 1HG2 ILE 12 -19.410 -21.907 -6.172 107 2HG2 ILE 12 2HG2 ILE 12 -19.113 -21.344 -7.675 108 3HG2 ILE 12 3HG2 ILE 12 -19.121 -20.317 -6.405 109 1HD1 ILE 12 1HD1 ILE 12 -16.921 -24.637 -7.926 110 2HD1 ILE 12 2HD1 ILE 12 -16.578 -23.217 -8.656 111 3HD1 ILE 12 3HD1 ILE 12 -18.125 -23.599 -8.299 112 H LEU 13 H LEU 13 -14.491 -20.450 -8.993 113 HA LEU 13 HA LEU 13 -16.117 -20.671 -11.403 114 1HB LEU 13 1HB LEU 13 -14.248 -18.531 -10.960 115 2HB LEU 13 2HB LEU 13 -14.805 -18.919 -12.445 116 HG LEU 13 HG LEU 13 -16.522 -17.990 -10.348 117 1HD1 LEU 13 1HD1 LEU 13 -16.501 -15.821 -11.415 118 2HD1 LEU 13 2HD1 LEU 13 -15.377 -16.367 -12.466 119 3HD1 LEU 13 3HD1 LEU 13 -15.010 -16.220 -10.882 120 1HD2 LEU 13 1HD2 LEU 13 -18.118 -17.538 -12.074 121 2HD2 LEU 13 2HD2 LEU 13 -17.732 -19.124 -12.032 122 3HD2 LEU 13 3HD2 LEU 13 -17.084 -18.156 -13.176 123 HXT LEU 13 HXT LEU 13 -13.565 -22.736 -12.515 Start of MODEL 8 1 HN PCA 1 HN PCA 1 4.224 -0.706 4.655 2 HA PCA 1 HA PCA 1 3.270 -2.617 3.126 3 1HB PCA 1 1HB PCA 1 2.510 -3.820 5.644 4 2HB PCA 1 2HB PCA 1 3.042 -4.602 4.312 5 1HG PCA 1 1HG PCA 1 4.621 -4.243 6.410 6 2HG PCA 1 2HG PCA 1 5.238 -4.349 4.901 7 H LEU 2 H LEU 2 1.043 -2.710 2.539 8 HA LEU 2 HA LEU 2 -0.734 -1.211 3.590 9 1HB LEU 2 1HB LEU 2 -1.131 0.668 2.325 10 2HB LEU 2 2HB LEU 2 0.385 0.758 2.926 11 HG LEU 2 HG LEU 2 0.944 -0.097 0.586 12 1HD1 LEU 2 1HD1 LEU 2 -0.401 0.995 -1.090 13 2HD1 LEU 2 2HD1 LEU 2 -1.433 1.483 0.077 14 3HD1 LEU 2 3HD1 LEU 2 -1.277 -0.107 -0.263 15 1HD2 LEU 2 1HD2 LEU 2 1.443 2.190 -0.052 16 2HD2 LEU 2 2HD2 LEU 2 1.883 1.910 1.495 17 3HD2 LEU 2 3HD2 LEU 2 0.501 2.718 1.172 18 H TYR 3 H TYR 3 0.091 -2.490 0.413 19 HA TYR 3 HA TYR 3 -2.663 -3.361 0.043 20 1HB TYR 3 1HB TYR 3 -2.076 -3.890 -2.130 21 2HB TYR 3 2HB TYR 3 -1.669 -2.345 -1.790 22 HD1 TYR 3 HD1 TYR 3 0.703 -1.642 -1.783 23 HD2 TYR 3 HD2 TYR 3 -0.402 -5.503 -2.834 24 HE1 TYR 3 HE1 TYR 3 2.876 -2.016 -2.709 25 HE2 TYR 3 HE2 TYR 3 1.771 -5.870 -3.760 26 HH TYR 3 HH TYR 3 3.786 -5.121 -4.212 27 H GLU 4 H GLU 4 -3.310 -4.942 1.383 28 HA GLU 4 HA GLU 4 -1.602 -7.262 1.815 29 1HB GLU 4 1HB GLU 4 -2.835 -6.142 3.608 30 2HB GLU 4 2HB GLU 4 -4.209 -6.710 2.931 31 1HG GLU 4 1HG GLU 4 -3.423 -8.958 3.343 32 2HG GLU 4 2HG GLU 4 -2.138 -8.328 4.131 33 H ASN 5 H ASN 5 -1.379 -8.731 0.247 34 HA ASN 5 HA ASN 5 -3.577 -9.358 -1.480 35 1HB ASN 5 1HB ASN 5 -0.883 -10.404 -1.375 36 2HB ASN 5 2HB ASN 5 -1.968 -10.907 -2.487 37 1HD2 ASN 5 1HD2 ASN 5 -2.643 -9.433 -4.228 38 2HD2 ASN 5 2HD2 ASN 5 -1.593 -8.118 -4.634 39 H LYS 6 H LYS 6 -5.273 -10.613 -0.972 40 HA LYS 6 HA LYS 6 -5.038 -12.631 1.055 41 1HB LYS 6 1HB LYS 6 -7.302 -11.745 -0.525 42 2HB LYS 6 2HB LYS 6 -7.439 -12.914 0.606 43 1HG LYS 6 1HG LYS 6 -6.936 -11.336 2.311 44 2HG LYS 6 2HG LYS 6 -6.769 -10.165 1.185 45 1HD LYS 6 1HD LYS 6 -9.087 -10.362 0.640 46 2HD LYS 6 2HD LYS 6 -9.252 -11.526 1.774 47 1HE LYS 6 1HE LYS 6 -8.751 -9.943 3.486 48 2HE LYS 6 2HE LYS 6 -8.554 -8.777 2.360 49 1HZ LYS 6 1HZ LYS 6 -10.691 -8.624 3.327 50 2HZ LYS 6 2HZ LYS 6 -11.009 -10.158 2.867 51 3HZ LYS 6 3HZ LYS 6 -10.812 -8.992 1.741 52 HA PRO 7 HA PRO 7 -4.176 -15.818 -1.985 53 1HB PRO 7 1HB PRO 7 -3.678 -17.892 -0.363 54 2HB PRO 7 2HB PRO 7 -2.578 -16.692 -0.494 55 1HG PRO 7 1HG PRO 7 -4.541 -17.042 1.596 56 2HG PRO 7 2HG PRO 7 -2.969 -16.637 1.774 57 1HD PRO 7 1HD PRO 7 -4.823 -14.786 1.832 58 2HD PRO 7 2HD PRO 7 -3.347 -14.452 1.218 59 H ARG 8 H ARG 8 -6.732 -16.749 0.201 60 HA ARG 8 HA ARG 8 -7.779 -18.522 -1.802 61 1HB ARG 8 1HB ARG 8 -9.398 -19.142 -0.275 62 2HB ARG 8 2HB ARG 8 -7.955 -19.119 0.489 63 1HG ARG 8 1HG ARG 8 -8.560 -17.157 1.642 64 2HG ARG 8 2HG ARG 8 -9.972 -17.084 0.824 65 1HD ARG 8 1HD ARG 8 -10.682 -19.115 1.877 66 2HD ARG 8 2HD ARG 8 -9.274 -19.177 2.701 67 HE ARG 8 HE ARG 8 -10.392 -16.717 3.274 68 1HH1 ARG 8 1HH1 ARG 8 -11.179 -20.098 3.998 69 2HH1 ARG 8 2HH1 ARG 8 -12.037 -19.659 5.437 70 1HH2 ARG 8 1HH2 ARG 8 -11.498 -16.282 5.112 71 2HH2 ARG 8 2HH2 ARG 8 -12.212 -17.550 6.051 72 H ARG 9 H ARG 9 -9.193 -18.281 -3.401 73 HA ARG 9 HA ARG 9 -10.347 -15.696 -3.852 74 1HB ARG 9 1HB ARG 9 -10.524 -18.155 -5.377 75 2HB ARG 9 2HB ARG 9 -11.219 -16.764 -5.876 76 1HG ARG 9 1HG ARG 9 -9.094 -15.784 -6.189 77 2HG ARG 9 2HG ARG 9 -8.368 -17.130 -5.615 78 1HD ARG 9 1HD ARG 9 -8.134 -17.239 -7.906 79 2HD ARG 9 2HD ARG 9 -9.300 -18.323 -7.540 80 HE ARG 9 HE ARG 9 -10.948 -16.989 -8.532 81 1HH1 ARG 9 1HH1 ARG 9 -7.775 -15.418 -8.769 82 2HH1 ARG 9 2HH1 ARG 9 -8.331 -14.345 -10.010 83 1HH2 ARG 9 1HH2 ARG 9 -11.522 -15.607 -10.118 84 2HH2 ARG 9 2HH2 ARG 9 -10.400 -14.451 -10.752 85 HA PRO 10 HA PRO 10 -14.248 -16.812 -1.840 86 1HB PRO 10 1HB PRO 10 -15.577 -14.518 -2.108 87 2HB PRO 10 2HB PRO 10 -14.354 -14.606 -1.029 88 1HG PRO 10 1HG PRO 10 -14.258 -13.492 -3.692 89 2HG PRO 10 2HG PRO 10 -13.615 -12.859 -2.331 90 1HD PRO 10 1HD PRO 10 -12.119 -14.206 -4.026 91 2HD PRO 10 2HD PRO 10 -11.782 -14.213 -2.427 92 H TYR 11 H TYR 11 -14.687 -15.522 -5.054 93 HA TYR 11 HA TYR 11 -16.940 -17.308 -5.430 94 1HB TYR 11 1HB TYR 11 -17.304 -16.246 -7.445 95 2HB TYR 11 2HB TYR 11 -17.085 -15.106 -6.296 96 HD1 TYR 11 HD1 TYR 11 -15.162 -13.567 -6.400 97 HD2 TYR 11 HD2 TYR 11 -15.784 -16.423 -9.345 98 HE1 TYR 11 HE1 TYR 11 -13.595 -12.449 -7.820 99 HE2 TYR 11 HE2 TYR 11 -14.208 -15.309 -10.756 100 HH TYR 11 HH TYR 11 -12.821 -13.627 -11.093 101 H ILE 12 H ILE 12 -16.954 -19.338 -6.124 102 HA ILE 12 HA ILE 12 -14.576 -20.451 -7.423 103 HB ILE 12 HB ILE 12 -15.480 -21.552 -5.579 104 1HG1 ILE 12 1HG1 ILE 12 -15.576 -23.365 -7.830 105 2HG1 ILE 12 2HG1 ILE 12 -14.164 -22.687 -7.365 106 1HG2 ILE 12 1HG2 ILE 12 -17.399 -22.972 -5.721 107 2HG2 ILE 12 2HG2 ILE 12 -17.777 -22.273 -7.147 108 3HG2 ILE 12 3HG2 ILE 12 -17.784 -21.386 -5.777 109 1HD1 ILE 12 1HD1 ILE 12 -14.334 -24.893 -6.501 110 2HD1 ILE 12 2HD1 ILE 12 -15.721 -24.497 -5.736 111 3HD1 ILE 12 3HD1 ILE 12 -14.311 -23.819 -5.271 112 H LEU 13 H LEU 13 -14.260 -20.022 -9.491 113 HA LEU 13 HA LEU 13 -16.503 -20.281 -11.404 114 1HB LEU 13 1HB LEU 13 -15.394 -18.105 -11.114 115 2HB LEU 13 2HB LEU 13 -14.084 -18.793 -11.805 116 HG LEU 13 HG LEU 13 -15.172 -17.401 -13.269 117 1HD1 LEU 13 1HD1 LEU 13 -15.398 -18.794 -15.205 118 2HD1 LEU 13 2HD1 LEU 13 -15.346 -20.105 -14.234 119 3HD1 LEU 13 3HD1 LEU 13 -14.045 -19.126 -14.355 120 1HD2 LEU 13 1HD2 LEU 13 -17.359 -17.869 -14.176 121 2HD2 LEU 13 2HD2 LEU 13 -17.418 -17.510 -12.585 122 3HD2 LEU 13 3HD2 LEU 13 -17.527 -19.064 -13.076 123 HXT LEU 13 HXT LEU 13 -13.311 -22.324 -12.392 Start of MODEL 9 1 HN PCA 1 HN PCA 1 3.603 -10.245 -2.215 2 HA PCA 1 HA PCA 1 2.803 -12.732 -1.945 3 1HB PCA 1 1HB PCA 1 1.175 -13.265 -3.513 4 2HB PCA 1 2HB PCA 1 1.935 -12.418 -4.685 5 1HG PCA 1 1HG PCA 1 0.281 -10.893 -4.286 6 2HG PCA 1 2HG PCA 1 0.044 -11.424 -2.760 7 H LEU 2 H LEU 2 4.023 -14.525 -2.729 8 HA LEU 2 HA LEU 2 6.228 -14.236 -4.103 9 1HB LEU 2 1HB LEU 2 7.168 -13.030 -2.263 10 2HB LEU 2 2HB LEU 2 6.992 -14.365 -1.338 11 HG LEU 2 HG LEU 2 8.534 -15.486 -2.829 12 1HD1 LEU 2 1HD1 LEU 2 9.996 -14.172 -4.194 13 2HD1 LEU 2 2HD1 LEU 2 9.105 -12.846 -3.855 14 3HD1 LEU 2 3HD1 LEU 2 8.454 -14.069 -4.720 15 1HD2 LEU 2 1HD2 LEU 2 10.507 -14.505 -1.822 16 2HD2 LEU 2 2HD2 LEU 2 9.320 -14.679 -0.715 17 3HD2 LEU 2 3HD2 LEU 2 9.615 -13.214 -1.372 18 H TYR 3 H TYR 3 5.592 -16.256 -1.253 19 HA TYR 3 HA TYR 3 5.609 -18.670 -2.920 20 1HB TYR 3 1HB TYR 3 6.874 -18.448 -0.813 21 2HB TYR 3 2HB TYR 3 5.433 -18.473 -0.045 22 HD1 TYR 3 HD1 TYR 3 7.816 -20.495 -1.789 23 HD2 TYR 3 HD2 TYR 3 4.183 -20.583 0.218 24 HE1 TYR 3 HE1 TYR 3 7.945 -22.880 -1.656 25 HE2 TYR 3 HE2 TYR 3 4.322 -22.967 0.355 26 HH TYR 3 HH TYR 3 5.409 -24.829 -0.077 27 H GLU 4 H GLU 4 3.714 -18.685 -4.173 28 HA GLU 4 HA GLU 4 1.172 -18.702 -2.793 29 1HB GLU 4 1HB GLU 4 1.321 -17.801 -4.985 30 2HB GLU 4 2HB GLU 4 1.708 -19.281 -5.556 31 1HG GLU 4 1HG GLU 4 -0.553 -18.716 -6.035 32 2HG GLU 4 2HG GLU 4 -0.446 -20.071 -5.130 33 H ASN 5 H ASN 5 -0.100 -20.302 -2.094 34 HA ASN 5 HA ASN 5 0.658 -23.034 -2.547 35 1HB ASN 5 1HB ASN 5 0.974 -23.668 -0.340 36 2HB ASN 5 2HB ASN 5 2.048 -22.503 -0.737 37 1HD2 ASN 5 1HD2 ASN 5 -0.334 -23.451 1.490 38 2HD2 ASN 5 2HD2 ASN 5 -0.286 -22.020 2.464 39 H LYS 6 H LYS 6 -1.761 -21.125 -0.808 40 HA LYS 6 HA LYS 6 -3.846 -22.786 -2.036 41 1HB LYS 6 1HB LYS 6 -3.414 -23.629 0.197 42 2HB LYS 6 2HB LYS 6 -3.946 -22.193 0.765 43 1HG LYS 6 1HG LYS 6 -6.087 -22.607 -0.193 44 2HG LYS 6 2HG LYS 6 -5.555 -24.042 -0.763 45 1HD LYS 6 1HD LYS 6 -6.773 -24.590 1.090 46 2HD LYS 6 2HD LYS 6 -5.221 -24.692 1.588 47 1HE LYS 6 1HE LYS 6 -5.412 -22.586 2.672 48 2HE LYS 6 2HE LYS 6 -6.947 -22.433 2.134 49 1HZ LYS 6 1HZ LYS 6 -6.934 -23.199 4.360 50 2HZ LYS 6 2HZ LYS 6 -6.036 -24.486 3.912 51 3HZ LYS 6 3HZ LYS 6 -7.570 -24.334 3.374 52 HA PRO 7 HA PRO 7 -4.646 -18.352 -2.724 53 1HB PRO 7 1HB PRO 7 -5.936 -18.496 -5.038 54 2HB PRO 7 2HB PRO 7 -4.311 -18.657 -5.002 55 1HG PRO 7 1HG PRO 7 -6.273 -20.774 -5.141 56 2HG PRO 7 2HG PRO 7 -4.896 -20.644 -6.010 57 1HD PRO 7 1HD PRO 7 -4.951 -22.181 -3.902 58 2HD PRO 7 2HD PRO 7 -3.588 -21.357 -4.265 59 H ARG 8 H ARG 8 -5.795 -17.297 -1.355 60 HA ARG 8 HA ARG 8 -8.437 -18.258 -0.693 61 1HB ARG 8 1HB ARG 8 -8.312 -16.824 1.142 62 2HB ARG 8 2HB ARG 8 -6.943 -17.710 1.043 63 1HG ARG 8 1HG ARG 8 -5.767 -15.797 0.256 64 2HG ARG 8 2HG ARG 8 -7.136 -14.913 0.369 65 1HD ARG 8 1HD ARG 8 -5.941 -14.355 2.246 66 2HD ARG 8 2HD ARG 8 -7.076 -15.396 2.790 67 HE ARG 8 HE ARG 8 -4.716 -16.784 2.102 68 1HH1 ARG 8 1HH1 ARG 8 -6.099 -14.920 4.783 69 2HH1 ARG 8 2HH1 ARG 8 -5.025 -15.649 5.930 70 1HH2 ARG 8 1HH2 ARG 8 -3.403 -17.626 3.631 71 2HH2 ARG 8 2HH2 ARG 8 -3.534 -17.147 5.290 72 H ARG 9 H ARG 9 -9.626 -18.090 -2.554 73 HA ARG 9 HA ARG 9 -10.567 -15.366 -3.226 74 1HB ARG 9 1HB ARG 9 -9.030 -16.369 -4.844 75 2HB ARG 9 2HB ARG 9 -10.137 -17.548 -5.072 76 1HG ARG 9 1HG ARG 9 -11.656 -15.955 -5.972 77 2HG ARG 9 2HG ARG 9 -10.559 -14.769 -5.733 78 1HD ARG 9 1HD ARG 9 -10.093 -16.962 -7.551 79 2HD ARG 9 2HD ARG 9 -10.695 -15.526 -8.042 80 HE ARG 9 HE ARG 9 -8.350 -14.968 -6.689 81 1HH1 ARG 9 1HH1 ARG 9 -9.193 -16.579 -9.728 82 2HH1 ARG 9 2HH1 ARG 9 -7.665 -16.179 -10.439 83 1HH2 ARG 9 1HH2 ARG 9 -6.470 -14.499 -7.687 84 2HH2 ARG 9 2HH2 ARG 9 -6.157 -15.026 -9.307 85 HA PRO 10 HA PRO 10 -14.411 -17.364 -1.994 86 1HB PRO 10 1HB PRO 10 -15.438 -14.633 -2.382 87 2HB PRO 10 2HB PRO 10 -15.757 -15.585 -1.094 88 1HG PRO 10 1HG PRO 10 -14.081 -13.666 -0.783 89 2HG PRO 10 2HG PRO 10 -13.727 -15.106 -0.099 90 1HD PRO 10 1HD PRO 10 -12.639 -14.012 -2.537 91 2HD PRO 10 2HD PRO 10 -11.844 -14.860 -1.390 92 H TYR 11 H TYR 11 -14.126 -15.890 -5.001 93 HA TYR 11 HA TYR 11 -16.645 -16.834 -5.951 94 1HB TYR 11 1HB TYR 11 -14.376 -15.677 -7.326 95 2HB TYR 11 2HB TYR 11 -15.708 -16.161 -8.140 96 HD1 TYR 11 HD1 TYR 11 -17.844 -14.898 -7.903 97 HD2 TYR 11 HD2 TYR 11 -14.324 -13.540 -6.173 98 HE1 TYR 11 HE1 TYR 11 -18.837 -12.749 -7.564 99 HE2 TYR 11 HE2 TYR 11 -15.325 -11.396 -5.830 100 HH TYR 11 HH TYR 11 -17.061 -10.062 -6.031 101 H ILE 12 H ILE 12 -17.208 -18.902 -6.300 102 HA ILE 12 HA ILE 12 -15.258 -20.931 -7.043 103 HB ILE 12 HB ILE 12 -18.052 -21.168 -6.604 104 1HG1 ILE 12 1HG1 ILE 12 -16.078 -22.235 -4.787 105 2HG1 ILE 12 2HG1 ILE 12 -16.686 -20.732 -4.590 106 1HG2 ILE 12 1HG2 ILE 12 -17.715 -23.586 -6.567 107 2HG2 ILE 12 2HG2 ILE 12 -16.157 -23.349 -6.994 108 3HG2 ILE 12 3HG2 ILE 12 -17.356 -22.958 -8.031 109 1HD1 ILE 12 1HD1 ILE 12 -17.783 -22.253 -3.132 110 2HD1 ILE 12 2HD1 ILE 12 -18.244 -23.159 -4.409 111 3HD1 ILE 12 3HD1 ILE 12 -18.851 -21.656 -4.213 112 H LEU 13 H LEU 13 -14.390 -20.659 -9.062 113 HA LEU 13 HA LEU 13 -16.140 -20.031 -11.294 114 1HB LEU 13 1HB LEU 13 -13.258 -19.974 -11.125 115 2HB LEU 13 2HB LEU 13 -14.080 -19.621 -12.492 116 HG LEU 13 HG LEU 13 -14.274 -18.034 -10.111 117 1HD1 LEU 13 1HD1 LEU 13 -12.777 -16.457 -11.182 118 2HD1 LEU 13 2HD1 LEU 13 -12.591 -17.502 -12.423 119 3HD1 LEU 13 3HD1 LEU 13 -12.029 -17.888 -10.939 120 1HD2 LEU 13 1HD2 LEU 13 -15.206 -16.330 -11.505 121 2HD2 LEU 13 2HD2 LEU 13 -16.124 -17.680 -11.537 122 3HD2 LEU 13 3HD2 LEU 13 -15.124 -17.343 -12.783 123 HXT LEU 13 HXT LEU 13 -14.423 -23.510 -11.914 Start of MODEL 10 1 HN PCA 1 HN PCA 1 6.432 -29.959 3.251 2 HA PCA 1 HA PCA 1 6.928 -27.424 2.765 3 1HB PCA 1 1HB PCA 1 5.464 -26.572 1.178 4 2HB PCA 1 2HB PCA 1 4.202 -27.399 1.804 5 1HG PCA 1 1HG PCA 1 4.525 -28.748 -0.010 6 2HG PCA 1 2HG PCA 1 6.094 -28.320 -0.154 7 H LEU 2 H LEU 2 6.561 -25.929 4.380 8 HA LEU 2 HA LEU 2 5.320 -26.927 6.661 9 1HB LEU 2 1HB LEU 2 6.774 -25.833 8.084 10 2HB LEU 2 2HB LEU 2 7.705 -26.703 7.063 11 HG LEU 2 HG LEU 2 7.357 -23.888 6.768 12 1HD1 LEU 2 1HD1 LEU 2 9.503 -23.614 7.902 13 2HD1 LEU 2 2HD1 LEU 2 9.527 -25.220 8.196 14 3HD1 LEU 2 3HD1 LEU 2 8.399 -24.276 8.906 15 1HD2 LEU 2 1HD2 LEU 2 9.377 -23.908 5.494 16 2HD2 LEU 2 2HD2 LEU 2 8.232 -24.848 4.808 17 3HD2 LEU 2 3HD2 LEU 2 9.449 -25.531 5.656 18 H TYR 3 H TYR 3 5.647 -24.104 4.658 19 HA TYR 3 HA TYR 3 3.017 -23.204 5.570 20 1HB TYR 3 1HB TYR 3 4.702 -22.052 6.901 21 2HB TYR 3 2HB TYR 3 5.237 -21.371 5.516 22 HD1 TYR 3 HD1 TYR 3 3.925 -19.587 4.402 23 HD2 TYR 3 HD2 TYR 3 2.651 -21.269 7.976 24 HE1 TYR 3 HE1 TYR 3 2.335 -17.820 4.670 25 HE2 TYR 3 HE2 TYR 3 1.078 -19.490 8.249 26 HH TYR 3 HH TYR 3 0.170 -17.635 7.502 27 H GLU 4 H GLU 4 1.795 -23.403 3.716 28 HA GLU 4 HA GLU 4 2.941 -22.630 1.193 29 1HB GLU 4 1HB GLU 4 0.350 -23.717 1.819 30 2HB GLU 4 2HB GLU 4 0.734 -23.235 0.307 31 1HG GLU 4 1HG GLU 4 2.546 -24.910 0.392 32 2HG GLU 4 2HG GLU 4 1.805 -25.498 1.723 33 H ASN 5 H ASN 5 3.172 -20.515 0.610 34 HA ASN 5 HA ASN 5 1.224 -18.495 1.401 35 1HB ASN 5 1HB ASN 5 3.649 -18.144 1.320 36 2HB ASN 5 2HB ASN 5 3.522 -18.187 -0.308 37 1HD2 ASN 5 1HD2 ASN 5 3.021 -16.263 2.507 38 2HD2 ASN 5 2HD2 ASN 5 2.599 -14.807 1.669 39 H LYS 6 H LYS 6 -0.763 -19.148 0.600 40 HA LYS 6 HA LYS 6 -1.097 -18.790 -2.278 41 1HB LYS 6 1HB LYS 6 -2.088 -21.049 -0.790 42 2HB LYS 6 2HB LYS 6 -2.706 -20.642 -2.246 43 1HG LYS 6 1HG LYS 6 -0.599 -21.100 -3.264 44 2HG LYS 6 2HG LYS 6 0.012 -21.517 -1.808 45 1HD LYS 6 1HD LYS 6 -1.554 -23.330 -1.695 46 2HD LYS 6 2HD LYS 6 -2.099 -22.931 -3.182 47 1HE LYS 6 1HE LYS 6 0.620 -23.769 -2.758 48 2HE LYS 6 2HE LYS 6 -0.563 -24.843 -3.097 49 1HZ LYS 6 1HZ LYS 6 0.602 -24.271 -5.045 50 2HZ LYS 6 2HZ LYS 6 0.233 -22.698 -4.810 51 3HZ LYS 6 3HZ LYS 6 -0.949 -23.773 -5.148 52 HA PRO 7 HA PRO 7 -4.418 -16.233 -0.442 53 1HB PRO 7 1HB PRO 7 -5.108 -14.818 -2.572 54 2HB PRO 7 2HB PRO 7 -3.696 -14.476 -1.827 55 1HG PRO 7 1HG PRO 7 -4.072 -16.062 -4.213 56 2HG PRO 7 2HG PRO 7 -2.943 -14.909 -3.961 57 1HD PRO 7 1HD PRO 7 -2.346 -17.452 -3.667 58 2HD PRO 7 2HD PRO 7 -1.607 -16.315 -2.756 59 H ARG 8 H ARG 8 -6.555 -16.057 -0.118 60 HA ARG 8 HA ARG 8 -8.016 -18.354 -1.024 61 1HB ARG 8 1HB ARG 8 -8.712 -16.223 0.813 62 2HB ARG 8 2HB ARG 8 -9.736 -17.452 0.485 63 1HG ARG 8 1HG ARG 8 -7.192 -17.903 1.748 64 2HG ARG 8 2HG ARG 8 -8.546 -17.615 2.614 65 1HD ARG 8 1HD ARG 8 -9.522 -19.613 1.697 66 2HD ARG 8 2HD ARG 8 -8.120 -19.914 0.915 67 HE ARG 8 HE ARG 8 -8.604 -20.247 3.738 68 1HH1 ARG 8 1HH1 ARG 8 -6.083 -20.283 1.240 69 2HH1 ARG 8 2HH1 ARG 8 -5.014 -21.205 2.243 70 1HH2 ARG 8 1HH2 ARG 8 -7.187 -21.432 4.898 71 2HH2 ARG 8 2HH2 ARG 8 -5.626 -21.840 4.268 72 H ARG 9 H ARG 9 -9.207 -18.552 -2.865 73 HA ARG 9 HA ARG 9 -10.335 -16.237 -4.120 74 1HB ARG 9 1HB ARG 9 -10.542 -19.043 -4.774 75 2HB ARG 9 2HB ARG 9 -11.330 -17.901 -5.636 76 1HG ARG 9 1HG ARG 9 -9.181 -16.994 -6.280 77 2HG ARG 9 2HG ARG 9 -8.472 -18.266 -5.541 78 1HD ARG 9 1HD ARG 9 -8.521 -18.804 -7.798 79 2HD ARG 9 2HD ARG 9 -9.688 -19.716 -7.109 80 HE ARG 9 HE ARG 9 -10.620 -17.201 -8.118 81 1HH1 ARG 9 1HH1 ARG 9 -10.210 -20.602 -9.086 82 2HH1 ARG 9 2HH1 ARG 9 -11.437 -20.451 -10.299 83 1HH2 ARG 9 1HH2 ARG 9 -12.171 -17.189 -9.653 84 2HH2 ARG 9 2HH2 ARG 9 -12.499 -18.599 -10.605 85 HA PRO 10 HA PRO 10 -14.254 -16.798 -1.780 86 1HB PRO 10 1HB PRO 10 -15.334 -14.414 -2.190 87 2HB PRO 10 2HB PRO 10 -14.113 -14.548 -1.113 88 1HG PRO 10 1HG PRO 10 -13.944 -13.614 -3.841 89 2HG PRO 10 2HG PRO 10 -13.222 -12.966 -2.526 90 1HD PRO 10 1HD PRO 10 -11.907 -14.574 -4.160 91 2HD PRO 10 2HD PRO 10 -11.519 -14.473 -2.577 92 H TYR 11 H TYR 11 -14.505 -15.619 -5.058 93 HA TYR 11 HA TYR 11 -16.905 -17.209 -5.423 94 1HB TYR 11 1HB TYR 11 -17.162 -16.110 -7.452 95 2HB TYR 11 2HB TYR 11 -16.872 -14.996 -6.293 96 HD1 TYR 11 HD1 TYR 11 -15.563 -16.466 -9.285 97 HD2 TYR 11 HD2 TYR 11 -14.895 -13.551 -6.407 98 HE1 TYR 11 HE1 TYR 11 -13.851 -15.509 -10.649 99 HE2 TYR 11 HE2 TYR 11 -13.178 -12.600 -7.776 100 HH TYR 11 HH TYR 11 -11.994 -12.648 -9.652 101 H ILE 12 H ILE 12 -17.152 -19.177 -6.281 102 HA ILE 12 HA ILE 12 -14.826 -20.492 -7.391 103 HB ILE 12 HB ILE 12 -16.153 -22.461 -7.441 104 1HG1 ILE 12 1HG1 ILE 12 -18.023 -21.336 -5.605 105 2HG1 ILE 12 2HG1 ILE 12 -18.334 -21.431 -7.206 106 1HG2 ILE 12 1HG2 ILE 12 -15.815 -22.916 -5.057 107 2HG2 ILE 12 2HG2 ILE 12 -15.582 -21.318 -4.819 108 3HG2 ILE 12 3HG2 ILE 12 -14.520 -22.173 -5.718 109 1HD1 ILE 12 1HD1 ILE 12 -19.360 -23.245 -6.066 110 2HD1 ILE 12 2HD1 ILE 12 -17.907 -23.715 -5.488 111 3HD1 ILE 12 3HD1 ILE 12 -18.219 -23.810 -7.088 112 H LEU 13 H LEU 13 -14.351 -19.622 -9.369 113 HA LEU 13 HA LEU 13 -16.120 -20.376 -11.571 114 1HB LEU 13 1HB LEU 13 -16.390 -17.989 -10.983 115 2HB LEU 13 2HB LEU 13 -14.873 -17.785 -11.552 116 HG LEU 13 HG LEU 13 -15.751 -18.688 -13.680 117 1HD1 LEU 13 1HD1 LEU 13 -18.094 -18.339 -14.088 118 2HD1 LEU 13 2HD1 LEU 13 -18.297 -17.940 -12.518 119 3HD1 LEU 13 3HD1 LEU 13 -17.868 -19.462 -12.925 120 1HD2 LEU 13 1HD2 LEU 13 -16.491 -16.508 -14.412 121 2HD2 LEU 13 2HD2 LEU 13 -15.152 -16.382 -13.486 122 3HD2 LEU 13 3HD2 LEU 13 -16.618 -16.043 -12.852 123 HXT LEU 13 HXT LEU 13 -13.280 -21.288 -13.302 Start of MODEL 11 1 HN PCA 1 HN PCA 1 9.045 -26.375 5.947 2 HA PCA 1 HA PCA 1 8.997 -24.417 4.191 3 1HB PCA 1 1HB PCA 1 7.481 -24.859 2.487 4 2HB PCA 1 2HB PCA 1 6.403 -25.510 3.527 5 1HG PCA 1 1HG PCA 1 7.145 -27.482 2.644 6 2HG PCA 1 2HG PCA 1 8.585 -26.843 2.212 7 H LEU 2 H LEU 2 8.178 -22.428 4.786 8 HA LEU 2 HA LEU 2 7.001 -22.336 7.294 9 1HB LEU 2 1HB LEU 2 8.136 -20.450 7.971 10 2HB LEU 2 2HB LEU 2 9.279 -21.524 7.513 11 HG LEU 2 HG LEU 2 8.513 -19.326 5.863 12 1HD1 LEU 2 1HD1 LEU 2 10.491 -18.161 6.698 13 2HD1 LEU 2 2HD1 LEU 2 10.744 -19.388 7.744 14 3HD1 LEU 2 3HD1 LEU 2 9.429 -18.434 7.907 15 1HD2 LEU 2 1HD2 LEU 2 10.604 -19.607 4.747 16 2HD2 LEU 2 2HD2 LEU 2 9.680 -20.948 4.626 17 3HD2 LEU 2 3HD2 LEU 2 10.919 -20.903 5.689 18 H TYR 3 H TYR 3 7.049 -20.886 4.130 19 HA TYR 3 HA TYR 3 4.453 -19.612 4.695 20 1HB TYR 3 1HB TYR 3 6.325 -18.217 3.940 21 2HB TYR 3 2HB TYR 3 6.248 -19.013 2.516 22 HD1 TYR 3 HD1 TYR 3 4.407 -18.569 0.923 23 HD2 TYR 3 HD2 TYR 3 4.649 -16.523 4.528 24 HE1 TYR 3 HE1 TYR 3 2.740 -17.031 0.166 25 HE2 TYR 3 HE2 TYR 3 2.996 -14.977 3.757 26 HH TYR 3 HH TYR 3 1.614 -14.310 2.162 27 H GLU 4 H GLU 4 2.712 -20.830 4.270 28 HA GLU 4 HA GLU 4 2.745 -22.746 2.125 29 1HB GLU 4 1HB GLU 4 0.852 -22.056 4.184 30 2HB GLU 4 2HB GLU 4 0.337 -22.960 2.924 31 1HG GLU 4 1HG GLU 4 2.488 -23.819 4.638 32 2HG GLU 4 2HG GLU 4 0.934 -24.228 4.928 33 H ASN 5 H ASN 5 2.450 -22.354 0.012 34 HA ASN 5 HA ASN 5 0.925 -20.029 -0.876 35 1HB ASN 5 1HB ASN 5 3.064 -20.728 -1.847 36 2HB ASN 5 2HB ASN 5 2.269 -22.002 -2.490 37 1HD2 ASN 5 1HD2 ASN 5 2.746 -18.573 -2.707 38 2HD2 ASN 5 2HD2 ASN 5 1.984 -18.383 -4.250 39 H LYS 6 H LYS 6 -1.168 -20.306 -0.164 40 HA LYS 6 HA LYS 6 -2.703 -22.437 -1.492 41 1HB LYS 6 1HB LYS 6 -2.941 -21.611 1.252 42 2HB LYS 6 2HB LYS 6 -4.047 -22.553 0.505 43 1HG LYS 6 1HG LYS 6 -1.326 -23.376 0.959 44 2HG LYS 6 2HG LYS 6 -2.557 -23.768 1.958 45 1HD LYS 6 1HD LYS 6 -2.434 -24.671 -0.770 46 2HD LYS 6 2HD LYS 6 -1.861 -25.555 0.479 47 1HE LYS 6 1HE LYS 6 -4.086 -25.675 1.381 48 2HE LYS 6 2HE LYS 6 -4.638 -24.855 0.081 49 1HZ LYS 6 1HZ LYS 6 -4.958 -27.166 -0.215 50 2HZ LYS 6 2HZ LYS 6 -3.356 -27.413 -0.026 51 3HZ LYS 6 3HZ LYS 6 -3.908 -26.593 -1.326 52 HA PRO 7 HA PRO 7 -4.680 -18.606 -2.949 53 1HB PRO 7 1HB PRO 7 -6.214 -20.519 -4.549 54 2HB PRO 7 2HB PRO 7 -5.528 -19.144 -5.101 55 1HG PRO 7 1HG PRO 7 -4.381 -21.372 -5.663 56 2HG PRO 7 2HG PRO 7 -3.435 -20.111 -5.236 57 1HD PRO 7 1HD PRO 7 -4.196 -22.359 -3.603 58 2HD PRO 7 2HD PRO 7 -2.754 -21.592 -3.627 59 H ARG 8 H ARG 8 -5.893 -17.340 -1.877 60 HA ARG 8 HA ARG 8 -8.444 -18.401 -0.873 61 1HB ARG 8 1HB ARG 8 -8.313 -16.955 0.930 62 2HB ARG 8 2HB ARG 8 -7.026 -17.961 0.899 63 1HG ARG 8 1HG ARG 8 -5.624 -16.178 0.235 64 2HG ARG 8 2HG ARG 8 -6.905 -15.166 0.201 65 1HD ARG 8 1HD ARG 8 -7.161 -15.419 2.569 66 2HD ARG 8 2HD ARG 8 -5.869 -16.418 2.598 67 HE ARG 8 HE ARG 8 -4.946 -14.121 1.423 68 1HH1 ARG 8 1HH1 ARG 8 -6.185 -14.943 4.641 69 2HH1 ARG 8 2HH1 ARG 8 -5.320 -13.637 5.380 70 1HH2 ARG 8 1HH2 ARG 8 -3.913 -12.497 2.458 71 2HH2 ARG 8 2HH2 ARG 8 -4.063 -12.284 4.170 72 H ARG 9 H ARG 9 -9.893 -18.059 -2.494 73 HA ARG 9 HA ARG 9 -10.631 -15.271 -2.883 74 1HB ARG 9 1HB ARG 9 -10.314 -17.148 -5.048 75 2HB ARG 9 2HB ARG 9 -11.195 -15.784 -5.217 76 1HG ARG 9 1HG ARG 9 -9.201 -14.493 -4.829 77 2HG ARG 9 2HG ARG 9 -8.344 -15.882 -4.776 78 1HD ARG 9 1HD ARG 9 -8.874 -16.313 -7.054 79 2HD ARG 9 2HD ARG 9 -9.774 -14.951 -7.113 80 HE ARG 9 HE ARG 9 -7.876 -13.613 -7.227 81 1HH1 ARG 9 1HH1 ARG 9 -6.933 -17.009 -6.839 82 2HH1 ARG 9 2HH1 ARG 9 -5.287 -16.668 -7.257 83 1HH2 ARG 9 1HH2 ARG 9 -5.776 -13.302 -7.746 84 2HH2 ARG 9 2HH2 ARG 9 -4.649 -14.617 -7.758 85 HA PRO 10 HA PRO 10 -14.605 -17.268 -1.965 86 1HB PRO 10 1HB PRO 10 -16.217 -15.134 -1.827 87 2HB PRO 10 2HB PRO 10 -15.080 -15.307 -0.667 88 1HG PRO 10 1HG PRO 10 -14.921 -13.640 -3.028 89 2HG PRO 10 2HG PRO 10 -14.539 -13.219 -1.497 90 1HD PRO 10 1HD PRO 10 -12.671 -13.978 -3.191 91 2HD PRO 10 2HD PRO 10 -12.513 -14.263 -1.591 92 H TYR 11 H TYR 11 -14.166 -16.058 -5.002 93 HA TYR 11 HA TYR 11 -16.757 -16.894 -5.957 94 1HB TYR 11 1HB TYR 11 -14.472 -15.780 -7.339 95 2HB TYR 11 2HB TYR 11 -15.834 -16.221 -8.126 96 HD1 TYR 11 HD1 TYR 11 -17.911 -14.872 -7.888 97 HD2 TYR 11 HD2 TYR 11 -14.335 -13.653 -6.169 98 HE1 TYR 11 HE1 TYR 11 -18.809 -12.676 -7.571 99 HE2 TYR 11 HE2 TYR 11 -15.241 -11.463 -5.845 100 HH TYR 11 HH TYR 11 -16.915 -10.055 -6.066 101 H ILE 12 H ILE 12 -17.300 -18.987 -6.373 102 HA ILE 12 HA ILE 12 -15.274 -20.943 -6.827 103 HB ILE 12 HB ILE 12 -17.028 -22.487 -7.087 104 1HG1 ILE 12 1HG1 ILE 12 -19.207 -22.007 -6.058 105 2HG1 ILE 12 2HG1 ILE 12 -18.887 -20.447 -6.423 106 1HG2 ILE 12 1HG2 ILE 12 -17.549 -22.553 -4.645 107 2HG2 ILE 12 2HG2 ILE 12 -16.960 -21.034 -4.533 108 3HG2 ILE 12 3HG2 ILE 12 -15.965 -22.269 -4.920 109 1HD1 ILE 12 1HD1 ILE 12 -20.281 -21.405 -8.082 110 2HD1 ILE 12 2HD1 ILE 12 -19.162 -22.558 -8.373 111 3HD1 ILE 12 3HD1 ILE 12 -18.842 -20.999 -8.738 112 H LEU 13 H LEU 13 -14.633 -22.153 -8.574 113 HA LEU 13 HA LEU 13 -15.705 -21.479 -11.191 114 1HB LEU 13 1HB LEU 13 -12.925 -21.143 -10.547 115 2HB LEU 13 2HB LEU 13 -13.471 -21.224 -12.084 116 HG LEU 13 HG LEU 13 -14.219 -19.130 -10.278 117 1HD1 LEU 13 1HD1 LEU 13 -12.637 -17.709 -11.432 118 2HD1 LEU 13 2HD1 LEU 13 -12.138 -18.999 -12.301 119 3HD1 LEU 13 3HD1 LEU 13 -11.872 -18.947 -10.691 120 1HD2 LEU 13 1HD2 LEU 13 -14.944 -17.926 -12.218 121 2HD2 LEU 13 2HD2 LEU 13 -15.765 -19.328 -12.056 122 3HD2 LEU 13 3HD2 LEU 13 -14.556 -19.211 -13.147 123 HXT LEU 13 HXT LEU 13 -15.116 -24.828 -11.906 Start of MODEL 12 1 HN PCA 1 HN PCA 1 -5.970 -29.966 6.897 2 HA PCA 1 HA PCA 1 -4.509 -31.939 6.449 3 1HB PCA 1 1HB PCA 1 -5.987 -33.515 5.615 4 2HB PCA 1 2HB PCA 1 -5.547 -32.935 4.153 5 1HG PCA 1 1HG PCA 1 -7.488 -31.796 3.909 6 2HG PCA 1 2HG PCA 1 -8.059 -32.780 5.080 7 H LEU 2 H LEU 2 -4.936 -29.384 4.266 8 HA LEU 2 HA LEU 2 -2.593 -29.957 2.832 9 1HB LEU 2 1HB LEU 2 -4.532 -30.079 1.317 10 2HB LEU 2 2HB LEU 2 -4.846 -28.524 1.706 11 HG LEU 2 HG LEU 2 -2.742 -27.926 0.705 12 1HD1 LEU 2 1HD1 LEU 2 -1.676 -29.431 -0.818 13 2HD1 LEU 2 2HD1 LEU 2 -2.689 -30.618 -0.338 14 3HD1 LEU 2 3HD1 LEU 2 -1.604 -29.996 0.712 15 1HD2 LEU 2 1HD2 LEU 2 -3.554 -28.062 -1.578 16 2HD2 LEU 2 2HD2 LEU 2 -4.757 -27.631 -0.562 17 3HD2 LEU 2 3HD2 LEU 2 -4.656 -29.169 -1.101 18 H TYR 3 H TYR 3 -1.054 -28.378 2.783 19 HA TYR 3 HA TYR 3 -1.289 -26.206 4.656 20 1HB TYR 3 1HB TYR 3 0.756 -27.485 4.167 21 2HB TYR 3 2HB TYR 3 0.799 -26.747 2.710 22 HD1 TYR 3 HD1 TYR 3 1.375 -26.244 6.222 23 HD2 TYR 3 HD2 TYR 3 1.614 -24.457 2.484 24 HE1 TYR 3 HE1 TYR 3 2.674 -24.465 7.152 25 HE2 TYR 3 HE2 TYR 3 2.897 -22.672 3.423 26 HH TYR 3 HH TYR 3 3.860 -21.747 5.168 27 H GLU 4 H GLU 4 -2.192 -24.259 4.489 28 HA GLU 4 HA GLU 4 -2.884 -23.141 1.937 29 1HB GLU 4 1HB GLU 4 -4.193 -22.821 3.946 30 2HB GLU 4 2HB GLU 4 -2.984 -21.902 4.547 31 1HG GLU 4 1HG GLU 4 -4.713 -20.507 3.817 32 2HG GLU 4 2HG GLU 4 -3.399 -20.265 2.878 33 H ASN 5 H ASN 5 -1.963 -21.741 0.572 34 HA ASN 5 HA ASN 5 0.552 -20.452 1.306 35 1HB ASN 5 1HB ASN 5 1.150 -22.657 0.581 36 2HB ASN 5 2HB ASN 5 0.445 -22.352 -0.860 37 1HD2 ASN 5 1HD2 ASN 5 3.221 -21.675 1.121 38 2HD2 ASN 5 2HD2 ASN 5 4.190 -21.024 -0.158 39 H LYS 6 H LYS 6 -1.343 -20.872 -1.661 40 HA LYS 6 HA LYS 6 -0.978 -18.047 -2.273 41 1HB LYS 6 1HB LYS 6 -2.004 -20.211 -3.879 42 2HB LYS 6 2HB LYS 6 -1.955 -18.665 -4.402 43 1HG LYS 6 1HG LYS 6 0.424 -18.717 -4.334 44 2HG LYS 6 2HG LYS 6 0.376 -20.263 -3.808 45 1HD LYS 6 1HD LYS 6 0.874 -20.443 -6.029 46 2HD LYS 6 2HD LYS 6 -0.716 -20.808 -5.946 47 1HE LYS 6 1HE LYS 6 -1.249 -18.597 -6.702 48 2HE LYS 6 2HE LYS 6 0.346 -18.264 -6.820 49 1HZ LYS 6 1HZ LYS 6 -0.524 -18.848 -8.924 50 2HZ LYS 6 2HZ LYS 6 -1.016 -20.284 -8.324 51 3HZ LYS 6 3HZ LYS 6 0.578 -19.951 -8.442 52 HA PRO 7 HA PRO 7 -4.871 -17.357 -0.148 53 1HB PRO 7 1HB PRO 7 -4.698 -14.728 -1.452 54 2HB PRO 7 2HB PRO 7 -5.074 -14.990 0.116 55 1HG PRO 7 1HG PRO 7 -2.692 -14.195 -0.432 56 2HG PRO 7 2HG PRO 7 -2.867 -15.360 0.699 57 1HD PRO 7 1HD PRO 7 -1.988 -15.673 -2.016 58 2HD PRO 7 2HD PRO 7 -1.510 -16.528 -0.709 59 H ARG 8 H ARG 8 -6.706 -18.126 -0.277 60 HA ARG 8 HA ARG 8 -7.853 -18.548 -2.841 61 1HB ARG 8 1HB ARG 8 -9.469 -19.822 -1.632 62 2HB ARG 8 2HB ARG 8 -7.966 -20.204 -1.120 63 1HG ARG 8 1HG ARG 8 -8.307 -18.995 0.876 64 2HG ARG 8 2HG ARG 8 -9.780 -18.516 0.357 65 1HD ARG 8 1HD ARG 8 -9.185 -21.293 0.846 66 2HD ARG 8 2HD ARG 8 -9.806 -20.328 2.009 67 HE ARG 8 HE ARG 8 -11.469 -20.058 -0.180 68 1HH1 ARG 8 1HH1 ARG 8 -10.684 -22.642 2.110 69 2HH1 ARG 8 2HH1 ARG 8 -12.220 -23.407 1.878 70 1HH2 ARG 8 1HH2 ARG 8 -13.373 -21.099 -0.399 71 2HH2 ARG 8 2HH2 ARG 8 -13.712 -22.549 0.485 72 H ARG 9 H ARG 9 -9.389 -17.700 -4.079 73 HA ARG 9 HA ARG 9 -10.567 -15.237 -3.238 74 1HB ARG 9 1HB ARG 9 -10.767 -16.762 -5.699 75 2HB ARG 9 2HB ARG 9 -11.634 -15.393 -5.496 76 1HG ARG 9 1HG ARG 9 -9.588 -14.150 -5.328 77 2HG ARG 9 2HG ARG 9 -8.750 -15.524 -5.605 78 1HD ARG 9 1HD ARG 9 -9.662 -15.661 -7.794 79 2HD ARG 9 2HD ARG 9 -10.556 -14.322 -7.519 80 HE ARG 9 HE ARG 9 -8.722 -12.946 -7.835 81 1HH1 ARG 9 1HH1 ARG 9 -7.658 -16.329 -7.841 82 2HH1 ARG 9 2HH1 ARG 9 -6.085 -15.901 -8.429 83 1HH2 ARG 9 1HH2 ARG 9 -6.705 -12.525 -8.568 84 2HH2 ARG 9 2HH2 ARG 9 -5.561 -13.799 -8.829 85 HA PRO 10 HA PRO 10 -14.548 -16.708 -1.813 86 1HB PRO 10 1HB PRO 10 -16.079 -14.544 -2.116 87 2HB PRO 10 2HB PRO 10 -14.939 -14.556 -0.946 88 1HG PRO 10 1HG PRO 10 -14.746 -13.339 -3.561 89 2HG PRO 10 2HG PRO 10 -14.286 -12.692 -2.134 90 1HD PRO 10 1HD PRO 10 -12.518 -13.815 -3.716 91 2HD PRO 10 2HD PRO 10 -12.330 -13.871 -2.095 92 H TYR 11 H TYR 11 -14.872 -15.346 -5.012 93 HA TYR 11 HA TYR 11 -16.925 -17.259 -5.665 94 1HB TYR 11 1HB TYR 11 -16.994 -16.281 -7.750 95 2HB TYR 11 2HB TYR 11 -16.971 -15.095 -6.627 96 HD1 TYR 11 HD1 TYR 11 -14.994 -13.586 -6.440 97 HD2 TYR 11 HD2 TYR 11 -15.287 -16.421 -9.457 98 HE1 TYR 11 HE1 TYR 11 -13.190 -12.535 -7.607 99 HE2 TYR 11 HE2 TYR 11 -13.497 -15.354 -10.629 100 HH TYR 11 HH TYR 11 -11.975 -13.749 -10.722 101 H ILE 12 H ILE 12 -16.711 -19.356 -6.015 102 HA ILE 12 HA ILE 12 -14.182 -20.411 -7.033 103 HB ILE 12 HB ILE 12 -15.164 -21.348 -5.082 104 1HG1 ILE 12 1HG1 ILE 12 -14.843 -23.423 -7.064 105 2HG1 ILE 12 2HG1 ILE 12 -13.564 -22.557 -6.534 106 1HG2 ILE 12 1HG2 ILE 12 -16.937 -22.950 -5.215 107 2HG2 ILE 12 2HG2 ILE 12 -17.202 -22.496 -6.761 108 3HG2 ILE 12 3HG2 ILE 12 -17.446 -21.434 -5.545 109 1HD1 ILE 12 1HD1 ILE 12 -13.651 -24.652 -5.419 110 2HD1 ILE 12 2HD1 ILE 12 -15.151 -24.309 -4.873 111 3HD1 ILE 12 3HD1 ILE 12 -13.872 -23.444 -4.343 112 H LEU 13 H LEU 13 -13.718 -21.246 -8.970 113 HA LEU 13 HA LEU 13 -15.738 -20.996 -11.035 114 1HB LEU 13 1HB LEU 13 -12.883 -21.309 -11.236 115 2HB LEU 13 2HB LEU 13 -13.858 -21.297 -12.546 116 HG LEU 13 HG LEU 13 -12.764 -19.352 -12.497 117 1HD1 LEU 13 1HD1 LEU 13 -14.488 -17.668 -12.405 118 2HD1 LEU 13 2HD1 LEU 13 -15.466 -18.754 -11.677 119 3HD1 LEU 13 3HD1 LEU 13 -14.969 -19.004 -13.212 120 1HD2 LEU 13 1HD2 LEU 13 -12.782 -17.734 -10.726 121 2HD2 LEU 13 2HD2 LEU 13 -12.034 -19.121 -10.298 122 3HD2 LEU 13 3HD2 LEU 13 -13.554 -18.819 -9.782 123 HXT LEU 13 HXT LEU 13 -14.537 -24.740 -10.797 Start of MODEL 13 1 HN PCA 1 HN PCA 1 11.920 -25.945 -0.240 2 HA PCA 1 HA PCA 1 9.681 -24.819 -0.127 3 1HB PCA 1 1HB PCA 1 9.430 -24.054 -2.297 4 2HB PCA 1 2HB PCA 1 8.572 -25.430 -2.494 5 1HG PCA 1 1HG PCA 1 10.252 -26.436 -3.641 6 2HG PCA 1 2HG PCA 1 10.801 -24.917 -3.883 7 H LEU 2 H LEU 2 7.852 -25.753 0.806 8 HA LEU 2 HA LEU 2 7.482 -28.393 0.941 9 1HB LEU 2 1HB LEU 2 9.258 -28.359 2.565 10 2HB LEU 2 2HB LEU 2 8.342 -27.369 3.487 11 HG LEU 2 HG LEU 2 6.731 -29.159 3.655 12 1HD1 LEU 2 1HD1 LEU 2 7.425 -31.407 3.206 13 2HD1 LEU 2 2HD1 LEU 2 8.803 -30.838 2.541 14 3HD1 LEU 2 3HD1 LEU 2 7.365 -30.526 1.833 15 1HD2 LEU 2 1HD2 LEU 2 7.968 -30.367 5.355 16 2HD2 LEU 2 2HD2 LEU 2 8.236 -28.762 5.478 17 3HD2 LEU 2 3HD2 LEU 2 9.354 -29.725 4.779 18 H TYR 3 H TYR 3 6.645 -25.690 3.097 19 HA TYR 3 HA TYR 3 3.805 -26.227 2.668 20 1HB TYR 3 1HB TYR 3 4.786 -25.837 4.886 21 2HB TYR 3 2HB TYR 3 5.020 -24.286 4.430 22 HD1 TYR 3 HD1 TYR 3 3.081 -22.747 4.180 23 HD2 TYR 3 HD2 TYR 3 2.586 -26.615 5.598 24 HE1 TYR 3 HE1 TYR 3 0.879 -22.192 4.925 25 HE2 TYR 3 HE2 TYR 3 0.391 -26.049 6.360 26 HH TYR 3 HH TYR 3 -1.218 -24.561 6.569 27 H GLU 4 H GLU 4 2.869 -25.541 0.825 28 HA GLU 4 HA GLU 4 3.616 -23.039 -0.340 29 1HB GLU 4 1HB GLU 4 2.149 -23.559 -2.067 30 2HB GLU 4 2HB GLU 4 2.989 -24.910 -1.698 31 1HG GLU 4 1HG GLU 4 1.113 -25.885 -0.718 32 2HG GLU 4 2HG GLU 4 0.267 -24.493 -0.847 33 H ASN 5 H ASN 5 2.670 -21.060 -0.567 34 HA ASN 5 HA ASN 5 0.362 -20.510 1.183 35 1HB ASN 5 1HB ASN 5 2.751 -18.943 0.886 36 2HB ASN 5 2HB ASN 5 1.385 -18.325 1.533 37 1HD2 ASN 5 1HD2 ASN 5 4.192 -20.173 2.168 38 2HD2 ASN 5 2HD2 ASN 5 3.867 -20.460 3.844 39 H LYS 6 H LYS 6 -1.381 -20.388 -0.201 40 HA LYS 6 HA LYS 6 -1.168 -18.674 -2.593 41 1HB LYS 6 1HB LYS 6 -0.910 -21.055 -3.089 42 2HB LYS 6 2HB LYS 6 -2.444 -21.257 -2.565 43 1HG LYS 6 1HG LYS 6 -2.857 -21.181 -4.728 44 2HG LYS 6 2HG LYS 6 -2.941 -19.580 -4.419 45 1HD LYS 6 1HD LYS 6 -0.536 -20.791 -5.408 46 2HD LYS 6 2HD LYS 6 -1.692 -20.244 -6.424 47 1HE LYS 6 1HE LYS 6 -0.220 -18.514 -4.656 48 2HE LYS 6 2HE LYS 6 0.184 -18.751 -6.220 49 1HZ LYS 6 1HZ LYS 6 -1.070 -16.780 -5.990 50 2HZ LYS 6 2HZ LYS 6 -2.293 -17.632 -5.324 51 3HZ LYS 6 3HZ LYS 6 -1.889 -17.869 -6.889 52 HA PRO 7 HA PRO 7 -4.715 -16.920 -0.406 53 1HB PRO 7 1HB PRO 7 -4.584 -15.084 -2.691 54 2HB PRO 7 2HB PRO 7 -4.815 -14.653 -1.133 55 1HG PRO 7 1HG PRO 7 -2.481 -14.297 -2.145 56 2HG PRO 7 2HG PRO 7 -2.571 -14.880 -0.622 57 1HD PRO 7 1HD PRO 7 -1.973 -16.341 -3.023 58 2HD PRO 7 2HD PRO 7 -1.370 -16.596 -1.527 59 H ARG 8 H ARG 8 -6.709 -17.325 -0.141 60 HA ARG 8 HA ARG 8 -8.048 -18.770 -2.267 61 1HB ARG 8 1HB ARG 8 -7.953 -19.482 0.099 62 2HB ARG 8 2HB ARG 8 -8.973 -18.250 0.431 63 1HG ARG 8 1HG ARG 8 -10.646 -19.298 -0.935 64 2HG ARG 8 2HG ARG 8 -9.628 -20.549 -1.194 65 1HD ARG 8 1HD ARG 8 -9.684 -21.062 1.148 66 2HD ARG 8 2HD ARG 8 -10.736 -19.835 1.382 67 HE ARG 8 HE ARG 8 -12.460 -21.023 0.297 68 1HH1 ARG 8 1HH1 ARG 8 -9.509 -22.977 0.534 69 2HH1 ARG 8 2HH1 ARG 8 -10.381 -24.443 0.235 70 1HH2 ARG 8 1HH2 ARG 8 -13.453 -22.932 -0.047 71 2HH2 ARG 8 2HH2 ARG 8 -12.561 -24.416 -0.086 72 H ARG 9 H ARG 9 -9.373 -18.022 -3.781 73 HA ARG 9 HA ARG 9 -10.485 -15.383 -3.524 74 1HB ARG 9 1HB ARG 9 -10.490 -17.302 -5.667 75 2HB ARG 9 2HB ARG 9 -11.436 -15.974 -5.758 76 1HG ARG 9 1HG ARG 9 -9.617 -15.462 -7.022 77 2HG ARG 9 2HG ARG 9 -9.376 -14.655 -5.622 78 1HD ARG 9 1HD ARG 9 -7.776 -16.260 -4.945 79 2HD ARG 9 2HD ARG 9 -8.049 -17.128 -6.301 80 HE ARG 9 HE ARG 9 -6.545 -14.672 -6.122 81 1HH1 ARG 9 1HH1 ARG 9 -7.833 -17.103 -8.359 82 2HH1 ARG 9 2HH1 ARG 9 -6.800 -16.563 -9.640 83 1HH2 ARG 9 1HH2 ARG 9 -5.296 -14.075 -7.806 84 2HH2 ARG 9 2HH2 ARG 9 -5.397 -14.887 -9.333 85 HA PRO 10 HA PRO 10 -14.416 -16.825 -1.793 86 1HB PRO 10 1HB PRO 10 -15.316 -14.159 -2.616 87 2HB PRO 10 2HB PRO 10 -15.572 -14.843 -1.155 88 1HG PRO 10 1HG PRO 10 -13.770 -13.018 -1.339 89 2HG PRO 10 2HG PRO 10 -13.447 -14.326 -0.416 90 1HD PRO 10 1HD PRO 10 -12.477 -13.775 -3.072 91 2HD PRO 10 2HD PRO 10 -11.664 -14.482 -1.845 92 H TYR 11 H TYR 11 -14.722 -15.382 -4.943 93 HA TYR 11 HA TYR 11 -16.878 -17.196 -5.578 94 1HB TYR 11 1HB TYR 11 -17.016 -16.142 -7.617 95 2HB TYR 11 2HB TYR 11 -16.910 -14.997 -6.457 96 HD1 TYR 11 HD1 TYR 11 -14.942 -13.496 -6.349 97 HD2 TYR 11 HD2 TYR 11 -15.342 -16.315 -9.368 98 HE1 TYR 11 HE1 TYR 11 -13.190 -12.431 -7.581 99 HE2 TYR 11 HE2 TYR 11 -13.595 -15.245 -10.599 100 HH TYR 11 HH TYR 11 -12.096 -13.622 -10.751 101 H ILE 12 H ILE 12 -16.747 -19.277 -6.061 102 HA ILE 12 HA ILE 12 -14.300 -20.346 -7.301 103 HB ILE 12 HB ILE 12 -15.020 -21.329 -5.322 104 1HG1 ILE 12 1HG1 ILE 12 -15.084 -23.333 -7.407 105 2HG1 ILE 12 2HG1 ILE 12 -13.708 -22.523 -7.064 106 1HG2 ILE 12 1HG2 ILE 12 -16.823 -22.890 -5.218 107 2HG2 ILE 12 2HG2 ILE 12 -17.334 -22.358 -6.675 108 3HG2 ILE 12 3HG2 ILE 12 -17.333 -21.349 -5.391 109 1HD1 ILE 12 1HD1 ILE 12 -13.679 -24.658 -6.024 110 2HD1 ILE 12 2HD1 ILE 12 -15.058 -24.299 -5.227 111 3HD1 ILE 12 3HD1 ILE 12 -13.682 -23.489 -4.884 112 H LEU 13 H LEU 13 -14.182 -19.878 -9.409 113 HA LEU 13 HA LEU 13 -16.495 -20.466 -11.132 114 1HB LEU 13 1HB LEU 13 -15.636 -18.186 -11.075 115 2HB LEU 13 2HB LEU 13 -14.232 -18.754 -11.685 116 HG LEU 13 HG LEU 13 -15.489 -19.428 -13.651 117 1HD1 LEU 13 1HD1 LEU 13 -17.573 -18.340 -14.107 118 2HD1 LEU 13 2HD1 LEU 13 -17.574 -17.729 -12.593 119 3HD1 LEU 13 3HD1 LEU 13 -17.702 -19.340 -12.823 120 1HD2 LEU 13 1HD2 LEU 13 -15.463 -17.212 -14.630 121 2HD2 LEU 13 2HD2 LEU 13 -14.121 -17.465 -13.735 122 3HD2 LEU 13 3HD2 LEU 13 -15.347 -16.570 -13.133 123 HXT LEU 13 HXT LEU 13 -13.265 -22.307 -12.333 Start of MODEL 14 1 HN PCA 1 HN PCA 1 7.070 -11.771 0.669 2 HA PCA 1 HA PCA 1 5.726 -14.012 0.887 3 1HB PCA 1 1HB PCA 1 3.831 -12.674 -0.846 4 2HB PCA 1 2HB PCA 1 3.475 -13.693 0.380 5 1HG PCA 1 1HG PCA 1 3.163 -11.076 0.646 6 2HG PCA 1 2HG PCA 1 3.509 -12.017 1.936 7 H LEU 2 H LEU 2 5.468 -15.592 -0.909 8 HA LEU 2 HA LEU 2 6.694 -15.399 -3.040 9 1HB LEU 2 1HB LEU 2 8.787 -16.208 -3.169 10 2HB LEU 2 2HB LEU 2 8.789 -14.952 -2.125 11 HG LEU 2 HG LEU 2 8.948 -17.663 -1.253 12 1HD1 LEU 2 1HD1 LEU 2 11.354 -17.320 -1.026 13 2HD1 LEU 2 2HD1 LEU 2 11.185 -15.845 -1.706 14 3HD1 LEU 2 3HD1 LEU 2 10.897 -17.189 -2.588 15 1HD2 LEU 2 1HD2 LEU 2 9.828 -16.804 0.796 16 2HD2 LEU 2 2HD2 LEU 2 8.324 -16.235 0.513 17 3HD2 LEU 2 3HD2 LEU 2 9.622 -15.285 0.234 18 H TYR 3 H TYR 3 6.784 -18.000 -0.617 19 HA TYR 3 HA TYR 3 5.516 -19.844 -2.500 20 1HB TYR 3 1HB TYR 3 7.421 -20.459 -1.055 21 2HB TYR 3 2HB TYR 3 6.376 -20.390 0.199 22 HD1 TYR 3 HD1 TYR 3 4.603 -22.137 0.453 23 HD2 TYR 3 HD2 TYR 3 7.450 -22.363 -2.562 24 HE1 TYR 3 HE1 TYR 3 4.007 -24.417 0.053 25 HE2 TYR 3 HE2 TYR 3 6.864 -24.652 -2.939 26 HH TYR 3 HH TYR 3 5.617 -26.406 -2.415 27 H GLU 4 H GLU 4 3.344 -19.394 -2.866 28 HA GLU 4 HA GLU 4 1.561 -19.180 -0.601 29 1HB GLU 4 1HB GLU 4 0.980 -18.039 -2.555 30 2HB GLU 4 2HB GLU 4 0.966 -19.439 -3.398 31 1HG GLU 4 1HG GLU 4 -1.229 -18.630 -2.970 32 2HG GLU 4 2HG GLU 4 -0.991 -20.123 -2.352 33 H ASN 5 H ASN 5 0.715 -20.655 0.640 34 HA ASN 5 HA ASN 5 0.938 -23.442 -0.061 35 1HB ASN 5 1HB ASN 5 0.110 -22.136 2.388 36 2HB ASN 5 2HB ASN 5 0.082 -23.761 2.227 37 1HD2 ASN 5 1HD2 ASN 5 2.073 -24.996 2.288 38 2HD2 ASN 5 2HD2 ASN 5 3.514 -24.241 2.882 39 H LYS 6 H LYS 6 -1.845 -21.313 0.598 40 HA LYS 6 HA LYS 6 -3.529 -23.045 -1.005 41 1HB LYS 6 1HB LYS 6 -4.037 -22.661 1.787 42 2HB LYS 6 2HB LYS 6 -5.272 -22.958 0.761 43 1HG LYS 6 1HG LYS 6 -4.262 -25.064 0.208 44 2HG LYS 6 2HG LYS 6 -3.096 -24.770 1.314 45 1HD LYS 6 1HD LYS 6 -5.867 -25.004 2.045 46 2HD LYS 6 2HD LYS 6 -4.862 -26.292 2.040 47 1HE LYS 6 1HE LYS 6 -4.399 -24.015 3.741 48 2HE LYS 6 2HE LYS 6 -5.259 -25.310 4.241 49 1HZ LYS 6 1HZ LYS 6 -3.033 -25.481 4.959 50 2HZ LYS 6 2HZ LYS 6 -2.522 -25.388 3.411 51 3HZ LYS 6 3HZ LYS 6 -3.382 -26.683 3.911 52 HA PRO 7 HA PRO 7 -4.432 -18.637 -1.834 53 1HB PRO 7 1HB PRO 7 -5.274 -18.806 -4.345 54 2HB PRO 7 2HB PRO 7 -3.680 -18.971 -4.029 55 1HG PRO 7 1HG PRO 7 -5.599 -21.086 -4.479 56 2HG PRO 7 2HG PRO 7 -4.098 -20.963 -5.112 57 1HD PRO 7 1HD PRO 7 -4.522 -22.478 -3.017 58 2HD PRO 7 2HD PRO 7 -3.099 -21.695 -3.187 59 H ARG 8 H ARG 8 -5.850 -17.297 -1.160 60 HA ARG 8 HA ARG 8 -8.499 -18.333 -0.650 61 1HB ARG 8 1HB ARG 8 -7.156 -15.931 0.248 62 2HB ARG 8 2HB ARG 8 -8.705 -16.257 0.650 63 1HG ARG 8 1HG ARG 8 -7.995 -18.143 1.902 64 2HG ARG 8 2HG ARG 8 -6.445 -17.850 1.479 65 1HD ARG 8 1HD ARG 8 -7.946 -15.951 3.044 66 2HD ARG 8 2HD ARG 8 -7.079 -17.139 3.754 67 HE ARG 8 HE ARG 8 -5.392 -15.785 1.999 68 1HH1 ARG 8 1HH1 ARG 8 -6.977 -15.083 5.088 69 2HH1 ARG 8 2HH1 ARG 8 -5.711 -14.002 5.567 70 1HH2 ARG 8 1HH2 ARG 8 -3.823 -14.455 2.727 71 2HH2 ARG 8 2HH2 ARG 8 -3.964 -13.655 4.257 72 H ARG 9 H ARG 9 -9.929 -18.360 -2.322 73 HA ARG 9 HA ARG 9 -10.552 -15.776 -3.547 74 1HB ARG 9 1HB ARG 9 -11.010 -16.754 -5.603 75 2HB ARG 9 2HB ARG 9 -9.451 -17.000 -5.184 76 1HG ARG 9 1HG ARG 9 -9.914 -19.282 -4.744 77 2HG ARG 9 2HG ARG 9 -11.487 -19.046 -5.115 78 1HD ARG 9 1HD ARG 9 -10.908 -18.573 -7.369 79 2HD ARG 9 2HD ARG 9 -9.322 -18.731 -7.011 80 HE ARG 9 HE ARG 9 -10.281 -21.136 -6.292 81 1HH1 ARG 9 1HH1 ARG 9 -10.402 -19.367 -9.360 82 2HH1 ARG 9 2HH1 ARG 9 -10.583 -20.826 -10.274 83 1HH2 ARG 9 1HH2 ARG 9 -10.569 -22.916 -7.557 84 2HH2 ARG 9 2HH2 ARG 9 -10.676 -22.779 -9.280 85 HA PRO 10 HA PRO 10 -14.575 -16.806 -1.803 86 1HB PRO 10 1HB PRO 10 -15.831 -14.491 -2.145 87 2HB PRO 10 2HB PRO 10 -14.662 -14.593 -1.009 88 1HG PRO 10 1HG PRO 10 -14.424 -13.496 -3.670 89 2HG PRO 10 2HG PRO 10 -13.829 -12.869 -2.284 90 1HD PRO 10 1HD PRO 10 -12.298 -14.267 -3.913 91 2HD PRO 10 2HD PRO 10 -12.015 -14.242 -2.305 92 H TYR 11 H TYR 11 -14.869 -15.404 -5.002 93 HA TYR 11 HA TYR 11 -17.083 -17.176 -5.569 94 1HB TYR 11 1HB TYR 11 -17.278 -16.083 -7.595 95 2HB TYR 11 2HB TYR 11 -17.180 -14.979 -6.396 96 HD1 TYR 11 HD1 TYR 11 -15.299 -13.396 -6.295 97 HD2 TYR 11 HD2 TYR 11 -15.579 -16.192 -9.349 98 HE1 TYR 11 HE1 TYR 11 -13.603 -12.235 -7.518 99 HE2 TYR 11 HE2 TYR 11 -13.879 -15.030 -10.565 100 HH TYR 11 HH TYR 11 -12.466 -13.353 -10.709 101 H ILE 12 H ILE 12 -17.065 -19.208 -6.285 102 HA ILE 12 HA ILE 12 -14.534 -20.340 -7.201 103 HB ILE 12 HB ILE 12 -15.573 -21.358 -5.476 104 1HG1 ILE 12 1HG1 ILE 12 -15.466 -23.696 -6.212 105 2HG1 ILE 12 2HG1 ILE 12 -15.378 -23.149 -7.749 106 1HG2 ILE 12 1HG2 ILE 12 -17.528 -22.796 -5.701 107 2HG2 ILE 12 2HG2 ILE 12 -17.774 -22.153 -7.182 108 3HG2 ILE 12 3HG2 ILE 12 -17.885 -21.210 -5.854 109 1HD1 ILE 12 1HD1 ILE 12 -13.222 -23.764 -6.977 110 2HD1 ILE 12 2HD1 ILE 12 -13.352 -22.707 -5.740 111 3HD1 ILE 12 3HD1 ILE 12 -13.264 -22.160 -7.276 112 H LEU 13 H LEU 13 -14.147 -19.395 -9.154 113 HA LEU 13 HA LEU 13 -15.743 -20.437 -11.400 114 1HB LEU 13 1HB LEU 13 -15.468 -17.980 -11.064 115 2HB LEU 13 2HB LEU 13 -13.928 -18.211 -11.556 116 HG LEU 13 HG LEU 13 -14.924 -19.128 -13.622 117 1HD1 LEU 13 1HD1 LEU 13 -17.088 -18.273 -14.230 118 2HD1 LEU 13 2HD1 LEU 13 -17.253 -17.655 -12.728 119 3HD1 LEU 13 3HD1 LEU 13 -17.196 -19.273 -12.944 120 1HD2 LEU 13 1HD2 LEU 13 -15.085 -16.929 -14.628 121 2HD2 LEU 13 2HD2 LEU 13 -13.790 -17.018 -13.638 122 3HD2 LEU 13 3HD2 LEU 13 -15.151 -16.270 -13.136 123 HXT LEU 13 HXT LEU 13 -11.964 -21.438 -11.577 Start of MODEL 15 1 HN PCA 1 H25 PCA 1 -1.028 -26.673 11.040 2 HA PCA 1 H29 PCA 1 0.667 -28.606 10.523 3 1HB PCA 1 H17 PCA 1 -0.322 -30.689 10.777 4 2HB PCA 1 H19 PCA 1 -1.706 -30.188 10.068 5 1HG PCA 1 H21 PCA 1 -2.507 -30.153 12.199 6 2HG PCA 1 H23 PCA 1 -1.012 -30.028 12.846 7 H LEU 2 H LEU 2 -1.848 -27.322 8.639 8 HA LEU 2 HA LEU 2 -0.622 -28.053 6.226 9 1HB LEU 2 1HB LEU 2 -2.754 -29.243 6.347 10 2HB LEU 2 2HB LEU 2 -3.489 -27.792 6.491 11 HG LEU 2 HG LEU 2 -2.605 -27.252 4.290 12 1HD1 LEU 2 1HD1 LEU 2 -1.991 -29.044 2.829 13 2HD1 LEU 2 2HD1 LEU 2 -2.058 -30.081 4.088 14 3HD1 LEU 2 3HD1 LEU 2 -0.929 -28.902 4.060 15 1HD2 LEU 2 1HD2 LEU 2 -4.352 -28.453 3.118 16 2HD2 LEU 2 2HD2 LEU 2 -4.910 -27.858 4.533 17 3HD2 LEU 2 3HD2 LEU 2 -4.518 -29.438 4.410 18 H TYR 3 H TYR 3 0.421 -26.287 5.531 19 HA TYR 3 HA TYR 3 -0.619 -23.657 6.280 20 1HB TYR 3 1HB TYR 3 1.537 -22.829 5.962 21 2HB TYR 3 2HB TYR 3 1.572 -24.080 7.012 22 HD1 TYR 3 HD1 TYR 3 2.784 -26.153 6.459 23 HD2 TYR 3 HD2 TYR 3 2.766 -22.922 3.852 24 HE1 TYR 3 HE1 TYR 3 4.562 -27.149 5.208 25 HE2 TYR 3 HE2 TYR 3 4.541 -23.925 2.604 26 HH TYR 3 HH TYR 3 5.950 -25.589 2.316 27 H GLU 4 H GLU 4 -1.862 -22.500 4.986 28 HA GLU 4 HA GLU 4 -1.826 -22.975 2.137 29 1HB GLU 4 1HB GLU 4 -3.754 -21.616 2.072 30 2HB GLU 4 2HB GLU 4 -3.922 -22.879 3.094 31 1HG GLU 4 1HG GLU 4 -3.343 -20.282 4.144 32 2HG GLU 4 2HG GLU 4 -4.880 -20.675 3.756 33 H ASN 5 H ASN 5 0.037 -22.323 1.208 34 HA ASN 5 HA ASN 5 1.035 -19.712 1.648 35 1HB ASN 5 1HB ASN 5 2.738 -20.294 0.084 36 2HB ASN 5 2HB ASN 5 2.524 -21.501 1.163 37 1HD2 ASN 5 1HD2 ASN 5 2.193 -23.613 0.449 38 2HD2 ASN 5 2HD2 ASN 5 1.980 -23.982 -1.229 39 H LYS 6 H LYS 6 -0.826 -20.755 -1.124 40 HA LYS 6 HA LYS 6 -0.886 -18.004 -2.071 41 1HB LYS 6 1HB LYS 6 -1.715 -18.825 -4.084 42 2HB LYS 6 2HB LYS 6 -0.366 -19.653 -3.683 43 1HG LYS 6 1HG LYS 6 -1.671 -21.540 -3.109 44 2HG LYS 6 2HG LYS 6 -3.038 -20.713 -3.449 45 1HD LYS 6 1HD LYS 6 -2.421 -20.603 -5.742 46 2HD LYS 6 2HD LYS 6 -1.024 -21.384 -5.414 47 1HE LYS 6 1HE LYS 6 -2.230 -23.353 -4.862 48 2HE LYS 6 2HE LYS 6 -3.644 -22.575 -5.115 49 1HZ LYS 6 1HZ LYS 6 -3.083 -23.880 -6.988 50 2HZ LYS 6 2HZ LYS 6 -1.671 -23.072 -7.128 51 3HZ LYS 6 3HZ LYS 6 -3.085 -22.295 -7.381 52 HA PRO 7 HA PRO 7 -4.764 -17.209 -0.159 53 1HB PRO 7 1HB PRO 7 -5.414 -14.858 -1.225 54 2HB PRO 7 2HB PRO 7 -4.138 -14.941 -0.209 55 1HG PRO 7 1HG PRO 7 -4.065 -14.930 -3.102 56 2HG PRO 7 2HG PRO 7 -3.128 -14.056 -2.089 57 1HD PRO 7 1HD PRO 7 -2.213 -16.279 -3.120 58 2HD PRO 7 2HD PRO 7 -1.778 -15.844 -1.607 59 H ARG 8 H ARG 8 -6.872 -17.462 -0.040 60 HA ARG 8 HA ARG 8 -8.015 -18.760 -2.354 61 1HB ARG 8 1HB ARG 8 -8.915 -18.572 0.394 62 2HB ARG 8 2HB ARG 8 -9.782 -19.349 -0.751 63 1HG ARG 8 1HG ARG 8 -8.084 -20.979 -0.967 64 2HG ARG 8 2HG ARG 8 -7.159 -20.183 0.119 65 1HD ARG 8 1HD ARG 8 -8.043 -21.986 1.254 66 2HD ARG 8 2HD ARG 8 -8.871 -20.684 1.790 67 HE ARG 8 HE ARG 8 -10.349 -21.653 -0.307 68 1HH1 ARG 8 1HH1 ARG 8 -9.461 -22.864 2.904 69 2HH1 ARG 8 2HH1 ARG 8 -10.852 -23.894 2.973 70 1HH2 ARG 8 1HH2 ARG 8 -12.056 -23.002 -0.123 71 2HH2 ARG 8 2HH2 ARG 8 -12.288 -23.969 1.295 72 H ARG 9 H ARG 9 -9.269 -17.844 -3.885 73 HA ARG 9 HA ARG 9 -10.490 -15.290 -3.438 74 1HB ARG 9 1HB ARG 9 -10.528 -17.061 -5.728 75 2HB ARG 9 2HB ARG 9 -11.322 -15.634 -5.732 76 1HG ARG 9 1HG ARG 9 -9.253 -14.473 -5.564 77 2HG ARG 9 2HG ARG 9 -8.451 -15.895 -5.534 78 1HD ARG 9 1HD ARG 9 -9.159 -16.342 -7.773 79 2HD ARG 9 2HD ARG 9 -9.960 -14.919 -7.804 80 HE ARG 9 HE ARG 9 -7.402 -14.232 -7.131 81 1HH1 ARG 9 1HH1 ARG 9 -8.887 -15.703 -9.994 82 2HH1 ARG 9 2HH1 ARG 9 -7.604 -15.156 -11.021 83 1HH2 ARG 9 1HH2 ARG 9 -5.827 -13.616 -8.514 84 2HH2 ARG 9 2HH2 ARG 9 -5.911 -14.001 -10.200 85 HA PRO 10 HA PRO 10 -14.361 -16.924 -1.825 86 1HB PRO 10 1HB PRO 10 -15.350 -14.236 -2.479 87 2HB PRO 10 2HB PRO 10 -15.579 -15.013 -1.061 88 1HG PRO 10 1HG PRO 10 -13.826 -13.137 -1.139 89 2HG PRO 10 2HG PRO 10 -13.461 -14.492 -0.304 90 1HD PRO 10 1HD PRO 10 -12.527 -13.744 -2.922 91 2HD PRO 10 2HD PRO 10 -11.689 -14.514 -1.751 92 H TYR 11 H TYR 11 -14.707 -15.409 -4.919 93 HA TYR 11 HA TYR 11 -16.836 -17.263 -5.567 94 1HB TYR 11 1HB TYR 11 -17.037 -16.143 -7.588 95 2HB TYR 11 2HB TYR 11 -17.043 -15.062 -6.363 96 HD1 TYR 11 HD1 TYR 11 -15.248 -13.392 -6.150 97 HD2 TYR 11 HD2 TYR 11 -15.302 -16.083 -9.309 98 HE1 TYR 11 HE1 TYR 11 -13.568 -12.113 -7.272 99 HE2 TYR 11 HE2 TYR 11 -13.611 -14.809 -10.419 100 HH TYR 11 HH TYR 11 -12.266 -13.066 -10.452 101 H ILE 12 H ILE 12 -16.572 -19.333 -6.092 102 HA ILE 12 HA ILE 12 -14.194 -20.127 -7.662 103 HB ILE 12 HB ILE 12 -15.754 -21.758 -5.993 104 1HG1 ILE 12 1HG1 ILE 12 -13.456 -22.198 -4.943 105 2HG1 ILE 12 2HG1 ILE 12 -13.139 -20.707 -5.532 106 1HG2 ILE 12 1HG2 ILE 12 -14.145 -23.554 -6.561 107 2HG2 ILE 12 2HG2 ILE 12 -13.437 -22.532 -7.620 108 3HG2 ILE 12 3HG2 ILE 12 -14.962 -23.053 -7.883 109 1HD1 ILE 12 1HD1 ILE 12 -13.759 -20.567 -3.247 110 2HD1 ILE 12 2HD1 ILE 12 -15.185 -21.290 -3.578 111 3HD1 ILE 12 3HD1 ILE 12 -14.868 -19.800 -4.167 112 H LEU 13 H LEU 13 -14.811 -19.650 -9.791 113 HA LEU 13 HA LEU 13 -17.204 -20.954 -10.836 114 1HB LEU 13 1HB LEU 13 -16.583 -18.177 -11.271 115 2HB LEU 13 2HB LEU 13 -17.681 -18.991 -12.165 116 HG LEU 13 HG LEU 13 -17.999 -18.549 -9.352 117 1HD1 LEU 13 1HD1 LEU 13 -19.547 -16.775 -9.904 118 2HD1 LEU 13 2HD1 LEU 13 -19.174 -16.962 -11.482 119 3HD1 LEU 13 3HD1 LEU 13 -18.044 -16.419 -10.435 120 1HD2 LEU 13 1HD2 LEU 13 -20.305 -19.096 -9.687 121 2HD2 LEU 13 2HD2 LEU 13 -19.338 -20.343 -10.108 122 3HD2 LEU 13 3HD2 LEU 13 -19.994 -19.392 -11.262 123 HXT LEU 13 HXT LEU 13 -15.208 -21.819 -13.535
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