NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
629187 | 6gs5 | 34283 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HT1 PHE 1 13.137 11.856 0.315 2 H2 PHE 1 HT2 PHE 1 12.012 11.482 1.532 3 H3 PHE 1 HT3 PHE 1 11.689 12.731 0.427 4 HA PHE 1 HA PHE 1 10.513 10.510 0.040 5 HB2 PHE 1 HB2 PHE 1 11.235 12.638 -1.477 6 HB3 PHE 1 HB1 PHE 1 12.062 11.351 -2.355 7 HD1 PHE 1 HD1 PHE 1 8.834 12.800 -1.453 8 HD2 PHE 1 HD2 PHE 1 10.773 9.422 -3.265 9 HE1 PHE 1 HE1 PHE 1 6.680 12.109 -2.468 10 HE2 PHE 1 HE2 PHE 1 8.619 8.731 -4.280 11 HZ PHE 1 HZ PHE 1 6.572 10.074 -3.882 12 H VAL 2 HN VAL 2 10.892 8.334 -0.207 13 HA VAL 2 HA VAL 2 13.581 7.447 -1.173 14 HB VAL 2 HB VAL 2 12.725 5.667 0.853 15 HG11 VAL 2 HG11 VAL 2 14.745 7.908 1.118 16 HG12 VAL 2 HG12 VAL 2 15.053 6.440 0.191 17 HG13 VAL 2 HG13 VAL 2 14.766 6.342 1.928 18 HG21 VAL 2 HG21 VAL 2 12.399 7.138 2.777 19 HG22 VAL 2 HG22 VAL 2 11.166 7.483 1.563 20 HG23 VAL 2 HG23 VAL 2 12.550 8.561 1.746 21 H GLN 3 HN GLN 3 13.213 6.094 -2.888 22 HA GLN 3 HA GLN 3 10.654 4.534 -2.941 23 HB2 GLN 3 HB2 GLN 3 10.684 4.841 -5.261 24 HB3 GLN 3 HB1 GLN 3 11.411 6.344 -4.697 25 HG2 GLN 3 HG2 GLN 3 13.670 5.298 -4.995 26 HG3 GLN 3 HG1 GLN 3 12.881 3.885 -5.696 27 HE21 GLN 3 HE21 GLN 3 14.246 4.592 -7.674 28 HE22 GLN 3 HE22 GLN 3 13.566 5.748 -8.715 29 H TRP 4 HN TRP 4 14.169 4.341 -3.394 30 HA TRP 4 HA TRP 4 14.113 1.475 -4.024 31 HB2 TRP 4 HB2 TRP 4 15.881 3.690 -4.215 32 HB3 TRP 4 HB1 TRP 4 16.674 2.501 -3.182 33 HD1 TRP 4 HD1 TRP 4 15.701 3.175 -6.743 34 HE1 TRP 4 HE1 TRP 4 16.478 1.225 -8.240 35 HE3 TRP 4 HE3 TRP 4 17.059 -0.200 -3.159 36 HZ2 TRP 4 HZ2 TRP 4 17.538 -1.418 -7.953 37 HZ3 TRP 4 HZ3 TRP 4 17.949 -2.422 -3.797 38 HH2 TRP 4 HH2 TRP 4 18.190 -3.036 -6.187 39 H PHE 5 HN PHE 5 14.741 3.536 -1.215 40 HA PHE 5 HA PHE 5 15.653 1.370 0.508 41 HB2 PHE 5 HB2 PHE 5 15.975 3.993 0.551 42 HB3 PHE 5 HB1 PHE 5 14.462 3.965 1.456 43 HD1 PHE 5 HD1 PHE 5 14.711 3.966 3.766 44 HD2 PHE 5 HD2 PHE 5 17.625 1.933 1.352 45 HE1 PHE 5 HE1 PHE 5 15.951 3.313 5.812 46 HE2 PHE 5 HE2 PHE 5 18.865 1.280 3.398 47 HZ PHE 5 HZ PHE 5 18.027 1.970 5.628 48 H SER 6 HN SER 6 12.554 2.709 -0.415 49 HA SER 6 HA SER 6 11.141 1.409 1.842 50 HB2 SER 6 HB2 SER 6 10.696 3.508 -0.135 51 HB3 SER 6 HB1 SER 6 9.312 2.420 -0.022 52 HG SER 6 HG SER 6 9.286 4.180 1.498 53 H LYS 7 HN LYS 7 11.857 0.884 -1.546 54 HA LYS 7 HA LYS 7 9.801 -0.998 -2.195 55 HB2 LYS 7 HB2 LYS 7 12.513 -0.213 -3.159 56 HB3 LYS 7 HB1 LYS 7 11.867 -1.745 -3.746 57 HG2 LYS 7 HG2 LYS 7 9.872 0.390 -3.804 58 HG3 LYS 7 HG1 LYS 7 11.287 0.772 -4.784 59 HD2 LYS 7 HD2 LYS 7 10.581 -1.987 -5.189 60 HD3 LYS 7 HD1 LYS 7 9.152 -0.984 -5.437 61 HE2 LYS 7 HE2 LYS 7 11.847 -0.403 -6.717 62 HE3 LYS 7 HE1 LYS 7 10.533 -1.276 -7.529 63 HZ1 LYS 7 HZ1 LYS 7 9.194 0.784 -6.532 64 HZ2 LYS 7 HZ2 LYS 7 9.908 0.824 -8.073 65 HZ3 LYS 7 HZ3 LYS 7 10.700 1.534 -6.749 66 H PHE 8 HN PHE 8 12.692 -1.277 -0.263 67 HA PHE 8 HA PHE 8 12.393 -4.257 -0.203 68 HB2 PHE 8 HB2 PHE 8 14.572 -2.452 -0.542 69 HB3 PHE 8 HB1 PHE 8 14.794 -3.252 1.011 70 HD1 PHE 8 HD1 PHE 8 14.939 -3.609 -2.583 71 HD2 PHE 8 HD2 PHE 8 14.697 -5.798 1.105 72 HE1 PHE 8 HE1 PHE 8 15.696 -5.661 -3.751 73 HE2 PHE 8 HE2 PHE 8 15.454 -7.850 -0.063 74 HZ PHE 8 HZ PHE 8 15.953 -7.782 -2.492 75 H LEU 9 HN LEU 9 12.606 -1.316 1.746 76 HA LEU 9 HA LEU 9 12.378 -2.839 4.277 77 HB2 LEU 9 HB2 LEU 9 12.444 0.143 3.725 78 HB3 LEU 9 HB1 LEU 9 12.775 -0.654 5.260 79 HG LEU 9 HG LEU 9 14.386 -1.036 2.723 80 HD11 LEU 9 HD11 LEU 9 15.294 0.329 5.258 81 HD12 LEU 9 HD12 LEU 9 14.504 1.233 3.965 82 HD13 LEU 9 HD13 LEU 9 16.025 0.395 3.654 83 HD21 LEU 9 HD21 LEU 9 15.976 -1.972 4.633 84 HD22 LEU 9 HD22 LEU 9 14.740 -3.000 3.909 85 HD23 LEU 9 HD23 LEU 9 14.446 -2.233 5.470 86 H GLY 10 HN GLY 10 10.559 -0.338 2.473 87 HA2 GLY 10 HA2 GLY 10 8.345 -0.065 4.167 88 HA3 GLY 10 HA1 GLY 10 8.242 0.078 2.412 89 H ARG 11 HN ARG 11 9.235 -2.744 2.119 90 HA ARG 11 HA ARG 11 6.656 -4.061 2.099 91 HB2 ARG 11 HB2 ARG 11 7.798 -5.629 0.859 92 HB3 ARG 11 HB1 ARG 11 8.902 -4.266 0.690 93 HG2 ARG 11 HG2 ARG 11 10.171 -5.115 2.668 94 HG3 ARG 11 HG1 ARG 11 9.126 -6.538 2.680 95 HD2 ARG 11 HD2 ARG 11 10.066 -6.094 0.005 96 HD3 ARG 11 HD1 ARG 11 11.458 -6.135 1.106 97 HE ARG 11 HE ARG 11 9.657 -8.368 0.534 98 HH11 ARG 11 HH11 ARG 11 10.088 -10.294 1.606 99 HH12 ARG 11 HH12 ARG 11 11.144 -10.297 2.980 100 HH21 ARG 11 HH21 ARG 11 11.759 -6.892 2.876 101 HH22 ARG 11 HH22 ARG 11 12.082 -8.382 3.691 102 H ILE 12 HN ILE 12 9.301 -3.878 4.371 103 HA ILE 12 HA ILE 12 8.195 -6.142 5.976 104 HB ILE 12 HB ILE 12 10.625 -4.574 6.743 105 HG12 ILE 12 HG12 ILE 12 10.384 -6.298 4.278 106 HG13 ILE 12 HG11 ILE 12 11.063 -4.677 4.410 107 HG21 ILE 12 HG21 ILE 12 9.693 -6.645 7.922 108 HG22 ILE 12 HG22 ILE 12 11.401 -6.702 7.490 109 HG23 ILE 12 HG23 ILE 12 10.214 -7.560 6.508 110 HD11 ILE 12 HD11 ILE 12 12.925 -6.185 4.277 111 HD12 ILE 12 HD12 ILE 12 12.221 -7.257 5.488 112 HD13 ILE 12 HD13 ILE 12 12.820 -5.666 5.959 113 H LEU 13 HN LEU 13 8.740 -2.666 5.981 114 HA LEU 13 HA LEU 13 8.002 -2.262 8.764 115 HB2 LEU 13 HB2 LEU 13 8.652 -0.664 6.308 116 HB3 LEU 13 HB1 LEU 13 8.032 0.143 7.733 117 HG LEU 13 HG LEU 13 9.902 -1.356 8.912 118 HD11 LEU 13 HD11 LEU 13 11.891 -1.522 7.475 119 HD12 LEU 13 HD12 LEU 13 10.978 -0.858 6.121 120 HD13 LEU 13 HD13 LEU 13 10.553 -2.438 6.779 121 HD21 LEU 13 HD21 LEU 13 11.369 0.588 8.850 122 HD22 LEU 13 HD22 LEU 13 9.696 1.142 8.928 123 HD23 LEU 13 HD23 LEU 13 10.568 1.183 7.396 Start of MODEL 2 1 H1 PHE 1 HT1 PHE 1 12.203 10.728 1.304 2 H2 PHE 1 HT2 PHE 1 11.174 12.028 0.930 3 H3 PHE 1 HT3 PHE 1 12.776 12.018 0.364 4 HA PHE 1 HA PHE 1 10.481 10.398 -0.566 5 HB2 PHE 1 HB2 PHE 1 12.229 12.591 -1.427 6 HB3 PHE 1 HB1 PHE 1 12.092 11.314 -2.637 7 HD1 PHE 1 HD1 PHE 1 9.572 12.415 -0.108 8 HD2 PHE 1 HD2 PHE 1 10.639 12.222 -4.264 9 HE1 PHE 1 HE1 PHE 1 7.317 13.241 -0.725 10 HE2 PHE 1 HE2 PHE 1 8.384 13.047 -4.882 11 HZ PHE 1 HZ PHE 1 6.723 13.556 -3.113 12 H VAL 2 HN VAL 2 11.122 8.244 -0.166 13 HA VAL 2 HA VAL 2 13.672 7.397 -1.495 14 HB VAL 2 HB VAL 2 13.144 5.685 0.696 15 HG11 VAL 2 HG11 VAL 2 15.380 6.110 0.088 16 HG12 VAL 2 HG12 VAL 2 15.207 6.984 1.610 17 HG13 VAL 2 HG13 VAL 2 15.141 7.857 0.078 18 HG21 VAL 2 HG21 VAL 2 12.965 8.615 1.465 19 HG22 VAL 2 HG22 VAL 2 13.041 7.252 2.581 20 HG23 VAL 2 HG23 VAL 2 11.631 7.465 1.544 21 H GLN 3 HN GLN 3 13.034 6.086 -3.163 22 HA GLN 3 HA GLN 3 10.567 4.436 -2.844 23 HB2 GLN 3 HB2 GLN 3 10.473 4.505 -5.204 24 HB3 GLN 3 HB1 GLN 3 11.104 6.095 -4.775 25 HG2 GLN 3 HG2 GLN 3 13.430 5.155 -5.082 26 HG3 GLN 3 HG1 GLN 3 12.687 3.690 -5.723 27 HE21 GLN 3 HE21 GLN 3 10.468 5.185 -7.052 28 HE22 GLN 3 HE22 GLN 3 11.166 5.955 -8.394 29 H TRP 4 HN TRP 4 14.041 4.221 -3.492 30 HA TRP 4 HA TRP 4 13.980 1.324 -3.947 31 HB2 TRP 4 HB2 TRP 4 15.787 3.582 -4.177 32 HB3 TRP 4 HB1 TRP 4 16.590 2.230 -3.376 33 HD1 TRP 4 HD1 TRP 4 15.865 3.497 -6.706 34 HE1 TRP 4 HE1 TRP 4 16.130 1.656 -8.492 35 HE3 TRP 4 HE3 TRP 4 16.006 -0.630 -3.702 36 HZ2 TRP 4 HZ2 TRP 4 16.371 -1.192 -8.627 37 HZ3 TRP 4 HZ3 TRP 4 16.254 -2.891 -4.684 38 HH2 TRP 4 HH2 TRP 4 16.436 -3.177 -7.139 39 H PHE 5 HN PHE 5 14.718 3.542 -1.285 40 HA PHE 5 HA PHE 5 15.737 1.465 0.493 41 HB2 PHE 5 HB2 PHE 5 16.101 4.066 0.393 42 HB3 PHE 5 HB1 PHE 5 14.617 4.128 1.345 43 HD1 PHE 5 HD1 PHE 5 17.870 2.252 1.238 44 HD2 PHE 5 HD2 PHE 5 14.801 4.025 3.664 45 HE1 PHE 5 HE1 PHE 5 19.159 1.686 3.280 46 HE2 PHE 5 HE2 PHE 5 16.090 3.459 5.707 47 HZ PHE 5 HZ PHE 5 18.268 2.290 5.514 48 H SER 6 HN SER 6 12.598 2.769 -0.324 49 HA SER 6 HA SER 6 11.316 1.564 2.068 50 HB2 SER 6 HB2 SER 6 10.861 3.868 0.886 51 HB3 SER 6 HB1 SER 6 9.918 2.894 -0.242 52 HG SER 6 HG SER 6 8.481 3.346 1.290 53 H LYS 7 HN LYS 7 11.722 1.020 -1.379 54 HA LYS 7 HA LYS 7 9.605 -0.836 -1.842 55 HB2 LYS 7 HB2 LYS 7 12.150 0.035 -3.043 56 HB3 LYS 7 HB1 LYS 7 11.694 -1.615 -3.462 57 HG2 LYS 7 HG2 LYS 7 9.459 0.300 -3.568 58 HG3 LYS 7 HG1 LYS 7 10.746 0.643 -4.723 59 HD2 LYS 7 HD2 LYS 7 10.544 -2.045 -5.031 60 HD3 LYS 7 HD1 LYS 7 8.877 -1.659 -4.599 61 HE2 LYS 7 HE2 LYS 7 8.795 0.032 -6.405 62 HE3 LYS 7 HE1 LYS 7 10.471 -0.354 -6.839 63 HZ1 LYS 7 HZ1 LYS 7 9.181 -2.776 -6.606 64 HZ2 LYS 7 HZ2 LYS 7 9.653 -2.020 -8.053 65 HZ3 LYS 7 HZ3 LYS 7 8.084 -1.792 -7.445 66 H PHE 8 HN PHE 8 12.697 -1.172 -0.228 67 HA PHE 8 HA PHE 8 12.370 -4.140 -0.114 68 HB2 PHE 8 HB2 PHE 8 14.521 -2.286 -0.473 69 HB3 PHE 8 HB1 PHE 8 14.800 -3.159 1.030 70 HD1 PHE 8 HD1 PHE 8 14.984 -3.299 -2.541 71 HD2 PHE 8 HD2 PHE 8 14.559 -5.744 0.965 72 HE1 PHE 8 HE1 PHE 8 15.705 -5.284 -3.839 73 HE2 PHE 8 HE2 PHE 8 15.280 -7.730 -0.334 74 HZ PHE 8 HZ PHE 8 15.853 -7.500 -2.736 75 H LEU 9 HN LEU 9 12.580 -1.204 1.817 76 HA LEU 9 HA LEU 9 12.461 -2.715 4.365 77 HB2 LEU 9 HB2 LEU 9 12.474 0.258 3.746 78 HB3 LEU 9 HB1 LEU 9 12.791 -0.483 5.312 79 HG LEU 9 HG LEU 9 14.447 -0.852 2.803 80 HD11 LEU 9 HD11 LEU 9 14.549 0.994 5.094 81 HD12 LEU 9 HD12 LEU 9 15.324 1.119 3.514 82 HD13 LEU 9 HD13 LEU 9 16.070 0.153 4.788 83 HD21 LEU 9 HD21 LEU 9 14.446 -2.891 4.131 84 HD22 LEU 9 HD22 LEU 9 14.733 -1.971 5.608 85 HD23 LEU 9 HD23 LEU 9 15.987 -2.067 4.370 86 H GLY 10 HN GLY 10 10.601 -0.105 2.762 87 HA2 GLY 10 HA2 GLY 10 8.387 -0.077 4.498 88 HA3 GLY 10 HA1 GLY 10 8.287 0.331 2.784 89 H ARG 11 HN ARG 11 9.302 -2.435 2.102 90 HA ARG 11 HA ARG 11 6.721 -3.719 1.847 91 HB2 ARG 11 HB2 ARG 11 7.869 -5.047 0.380 92 HB3 ARG 11 HB1 ARG 11 9.047 -3.743 0.506 93 HG2 ARG 11 HG2 ARG 11 10.215 -4.990 2.295 94 HG3 ARG 11 HG1 ARG 11 9.058 -6.312 2.114 95 HD2 ARG 11 HD2 ARG 11 10.047 -5.608 -0.479 96 HD3 ARG 11 HD1 ARG 11 11.430 -5.879 0.602 97 HE ARG 11 HE ARG 11 9.517 -7.903 -0.255 98 HH11 ARG 11 HH11 ARG 11 9.747 -9.961 0.620 99 HH12 ARG 11 HH12 ARG 11 10.723 -10.188 2.033 100 HH21 ARG 11 HH21 ARG 11 11.588 -6.849 2.328 101 HH22 ARG 11 HH22 ARG 11 11.758 -8.438 2.991 102 H ILE 12 HN ILE 12 9.243 -3.810 4.240 103 HA ILE 12 HA ILE 12 8.063 -6.270 5.475 104 HB ILE 12 HB ILE 12 10.541 -4.991 6.523 105 HG12 ILE 12 HG12 ILE 12 10.349 -6.244 3.779 106 HG13 ILE 12 HG11 ILE 12 10.974 -4.648 4.185 107 HG21 ILE 12 HG21 ILE 12 9.915 -7.841 5.709 108 HG22 ILE 12 HG22 ILE 12 9.568 -7.177 7.306 109 HG23 ILE 12 HG23 ILE 12 11.235 -7.297 6.744 110 HD11 ILE 12 HD11 ILE 12 12.582 -6.118 5.750 111 HD12 ILE 12 HD12 ILE 12 12.977 -5.776 4.066 112 HD13 ILE 12 HD13 ILE 12 12.251 -7.322 4.505 113 H LEU 13 HN LEU 13 8.731 -2.853 5.943 114 HA LEU 13 HA LEU 13 8.007 -2.808 8.761 115 HB2 LEU 13 HB2 LEU 13 8.739 -0.913 6.551 116 HB3 LEU 13 HB1 LEU 13 8.134 -0.285 8.069 117 HG LEU 13 HG LEU 13 9.940 -2.035 9.016 118 HD11 LEU 13 HD11 LEU 13 10.634 -2.769 6.775 119 HD12 LEU 13 HD12 LEU 13 11.962 -1.933 7.581 120 HD13 LEU 13 HD13 LEU 13 11.023 -1.103 6.341 121 HD21 LEU 13 HD21 LEU 13 9.674 0.624 9.094 122 HD22 LEU 13 HD22 LEU 13 11.078 0.542 8.030 123 HD23 LEU 13 HD23 LEU 13 11.151 -0.172 9.641 Start of MODEL 3 1 H1 PHE 1 HT1 PHE 1 10.037 11.358 -0.449 2 H2 PHE 1 HT2 PHE 1 10.741 10.122 -1.379 3 H3 PHE 1 HT3 PHE 1 11.298 11.720 -1.524 4 HA PHE 1 HA PHE 1 12.532 11.632 0.373 5 HB2 PHE 1 HB2 PHE 1 10.075 10.225 1.174 6 HB3 PHE 1 HB1 PHE 1 11.518 9.646 2.006 7 HD1 PHE 1 HD1 PHE 1 9.506 12.677 1.235 8 HD2 PHE 1 HD2 PHE 1 12.621 10.978 3.654 9 HE1 PHE 1 HE1 PHE 1 9.472 14.685 2.690 10 HE2 PHE 1 HE2 PHE 1 12.589 12.986 5.108 11 HZ PHE 1 HZ PHE 1 11.013 14.840 4.627 12 H VAL 2 HN VAL 2 11.269 8.292 0.095 13 HA VAL 2 HA VAL 2 13.892 7.424 -1.030 14 HB VAL 2 HB VAL 2 13.277 5.507 0.885 15 HG11 VAL 2 HG11 VAL 2 15.485 5.963 1.046 16 HG12 VAL 2 HG12 VAL 2 15.035 7.272 2.139 17 HG13 VAL 2 HG13 VAL 2 15.261 7.598 0.420 18 HG21 VAL 2 HG21 VAL 2 12.884 8.237 2.135 19 HG22 VAL 2 HG22 VAL 2 12.743 6.665 2.922 20 HG23 VAL 2 HG23 VAL 2 11.545 7.164 1.728 21 H GLN 3 HN GLN 3 13.193 6.441 -2.904 22 HA GLN 3 HA GLN 3 10.677 4.845 -2.860 23 HB2 GLN 3 HB2 GLN 3 10.591 5.325 -5.125 24 HB3 GLN 3 HB1 GLN 3 11.557 6.695 -4.582 25 HG2 GLN 3 HG2 GLN 3 13.621 5.324 -5.052 26 HG3 GLN 3 HG1 GLN 3 12.575 4.103 -5.777 27 HE21 GLN 3 HE21 GLN 3 14.624 6.312 -6.835 28 HE22 GLN 3 HE22 GLN 3 13.793 6.950 -8.170 29 H TRP 4 HN TRP 4 14.164 4.550 -3.356 30 HA TRP 4 HA TRP 4 14.026 1.726 -4.148 31 HB2 TRP 4 HB2 TRP 4 15.844 3.891 -4.244 32 HB3 TRP 4 HB1 TRP 4 16.604 2.669 -3.223 33 HD1 TRP 4 HD1 TRP 4 15.473 3.331 -6.780 34 HE1 TRP 4 HE1 TRP 4 16.338 1.442 -8.307 35 HE3 TRP 4 HE3 TRP 4 17.269 0.101 -3.256 36 HZ2 TRP 4 HZ2 TRP 4 17.619 -1.104 -8.064 37 HZ3 TRP 4 HZ3 TRP 4 18.305 -2.047 -3.931 38 HH2 TRP 4 HH2 TRP 4 18.483 -2.653 -6.329 39 H PHE 5 HN PHE 5 14.616 3.612 -1.226 40 HA PHE 5 HA PHE 5 15.505 1.345 0.384 41 HB2 PHE 5 HB2 PHE 5 15.699 4.057 0.506 42 HB3 PHE 5 HB1 PHE 5 14.368 3.787 1.632 43 HD1 PHE 5 HD1 PHE 5 15.140 3.806 3.833 44 HD2 PHE 5 HD2 PHE 5 17.484 1.864 0.802 45 HE1 PHE 5 HE1 PHE 5 16.760 3.065 5.560 46 HE2 PHE 5 HE2 PHE 5 19.103 1.123 2.528 47 HZ PHE 5 HZ PHE 5 18.741 1.724 4.907 48 H SER 6 HN SER 6 12.438 2.721 -0.534 49 HA SER 6 HA SER 6 10.970 1.466 1.701 50 HB2 SER 6 HB2 SER 6 10.463 3.322 -0.574 51 HB3 SER 6 HB1 SER 6 9.085 2.380 -0.003 52 HG SER 6 HG SER 6 10.766 3.715 1.812 53 H LYS 7 HN LYS 7 11.834 0.777 -1.612 54 HA LYS 7 HA LYS 7 9.787 -1.155 -2.217 55 HB2 LYS 7 HB2 LYS 7 12.591 -0.572 -3.179 56 HB3 LYS 7 HB1 LYS 7 11.627 -1.871 -3.883 57 HG2 LYS 7 HG2 LYS 7 10.211 0.708 -3.615 58 HG3 LYS 7 HG1 LYS 7 11.564 0.725 -4.747 59 HD2 LYS 7 HD2 LYS 7 10.482 -0.608 -6.233 60 HD3 LYS 7 HD1 LYS 7 9.863 -1.668 -4.966 61 HE2 LYS 7 HE2 LYS 7 8.112 0.001 -4.423 62 HE3 LYS 7 HE1 LYS 7 8.731 1.057 -5.707 63 HZ1 LYS 7 HZ1 LYS 7 8.304 -1.709 -6.468 64 HZ2 LYS 7 HZ2 LYS 7 7.928 -0.283 -7.312 65 HZ3 LYS 7 HZ3 LYS 7 6.885 -0.856 -6.100 66 H PHE 8 HN PHE 8 12.501 -1.282 -0.095 67 HA PHE 8 HA PHE 8 12.343 -4.276 -0.028 68 HB2 PHE 8 HB2 PHE 8 14.485 -2.505 -0.474 69 HB3 PHE 8 HB1 PHE 8 14.703 -3.087 1.175 70 HD1 PHE 8 HD1 PHE 8 15.795 -3.723 -1.966 71 HD2 PHE 8 HD2 PHE 8 13.799 -5.779 1.234 72 HE1 PHE 8 HE1 PHE 8 16.623 -5.890 -2.843 73 HE2 PHE 8 HE2 PHE 8 14.626 -7.946 0.357 74 HZ PHE 8 HZ PHE 8 16.038 -8.002 -1.682 75 H LEU 9 HN LEU 9 12.807 -1.330 1.925 76 HA LEU 9 HA LEU 9 12.437 -2.775 4.457 77 HB2 LEU 9 HB2 LEU 9 12.475 0.198 3.851 78 HB3 LEU 9 HB1 LEU 9 12.828 -0.574 5.394 79 HG LEU 9 HG LEU 9 14.441 -0.823 2.841 80 HD11 LEU 9 HD11 LEU 9 14.494 1.181 4.692 81 HD12 LEU 9 HD12 LEU 9 15.900 0.674 3.756 82 HD13 LEU 9 HD13 LEU 9 15.659 0.056 5.391 83 HD21 LEU 9 HD21 LEU 9 15.998 -2.054 4.559 84 HD22 LEU 9 HD22 LEU 9 14.666 -2.940 3.817 85 HD23 LEU 9 HD23 LEU 9 14.501 -2.309 5.455 86 H GLY 10 HN GLY 10 10.587 -0.478 2.446 87 HA2 GLY 10 HA2 GLY 10 8.343 -0.206 4.179 88 HA3 GLY 10 HA1 GLY 10 8.291 0.019 2.431 89 H ARG 11 HN ARG 11 9.385 -2.830 2.167 90 HA ARG 11 HA ARG 11 6.828 -4.163 1.878 91 HB2 ARG 11 HB2 ARG 11 9.647 -5.289 1.875 92 HB3 ARG 11 HB1 ARG 11 8.232 -5.997 1.099 93 HG2 ARG 11 HG2 ARG 11 9.630 -3.411 0.362 94 HG3 ARG 11 HG1 ARG 11 9.496 -4.871 -0.614 95 HD2 ARG 11 HD2 ARG 11 7.736 -3.712 -1.551 96 HD3 ARG 11 HD1 ARG 11 6.858 -4.364 -0.154 97 HE ARG 11 HE ARG 11 8.296 -1.906 0.471 98 HH11 ARG 11 HH11 ARG 11 7.049 -0.085 0.901 99 HH12 ARG 11 HH12 ARG 11 5.375 -0.063 0.455 100 HH21 ARG 11 HH21 ARG 11 5.394 -3.257 -0.886 101 HH22 ARG 11 HH22 ARG 11 4.447 -1.850 -0.550 102 H ILE 12 HN ILE 12 9.133 -3.865 4.455 103 HA ILE 12 HA ILE 12 7.796 -6.093 5.955 104 HB ILE 12 HB ILE 12 10.347 -5.029 6.958 105 HG12 ILE 12 HG12 ILE 12 10.141 -6.121 4.147 106 HG13 ILE 12 HG11 ILE 12 10.903 -4.620 4.671 107 HG21 ILE 12 HG21 ILE 12 9.204 -7.178 7.620 108 HG22 ILE 12 HG22 ILE 12 10.881 -7.383 7.113 109 HG23 ILE 12 HG23 ILE 12 9.568 -7.801 6.010 110 HD11 ILE 12 HD11 ILE 12 12.763 -6.002 4.450 111 HD12 ILE 12 HD12 ILE 12 11.879 -7.443 4.953 112 HD13 ILE 12 HD13 ILE 12 12.368 -6.244 6.152 113 H LEU 13 HN LEU 13 8.834 -2.728 6.006 114 HA LEU 13 HA LEU 13 8.058 -2.303 8.793 115 HB2 LEU 13 HB2 LEU 13 9.306 -0.880 6.499 116 HB3 LEU 13 HB1 LEU 13 8.569 0.111 7.741 117 HG LEU 13 HG LEU 13 9.931 -1.698 9.257 118 HD11 LEU 13 HD11 LEU 13 10.878 -2.643 7.101 119 HD12 LEU 13 HD12 LEU 13 12.086 -2.128 8.280 120 HD13 LEU 13 HD13 LEU 13 11.720 -1.108 6.891 121 HD21 LEU 13 HD21 LEU 13 10.770 0.971 8.119 122 HD22 LEU 13 HD22 LEU 13 11.747 0.126 9.320 123 HD23 LEU 13 HD23 LEU 13 10.103 0.628 9.715 Start of MODEL 4 1 H1 PHE 1 HT1 PHE 1 11.383 12.189 -1.318 2 H2 PHE 1 HT2 PHE 1 12.878 11.793 -0.616 3 H3 PHE 1 HT3 PHE 1 11.726 12.674 0.270 4 HA PHE 1 HA PHE 1 11.112 10.713 1.142 5 HB2 PHE 1 HB2 PHE 1 9.602 11.459 -0.978 6 HB3 PHE 1 HB1 PHE 1 10.091 9.853 -1.518 7 HD1 PHE 1 HD1 PHE 1 8.750 8.061 -0.883 8 HD2 PHE 1 HD2 PHE 1 8.906 11.547 1.620 9 HE1 PHE 1 HE1 PHE 1 7.080 7.041 0.642 10 HE2 PHE 1 HE2 PHE 1 7.237 10.528 3.145 11 HZ PHE 1 HZ PHE 1 6.323 8.275 2.656 12 H VAL 2 HN VAL 2 10.813 8.139 0.190 13 HA VAL 2 HA VAL 2 13.452 7.382 -0.994 14 HB VAL 2 HB VAL 2 12.970 5.505 0.996 15 HG11 VAL 2 HG11 VAL 2 14.806 6.753 2.201 16 HG12 VAL 2 HG12 VAL 2 14.642 8.032 0.998 17 HG13 VAL 2 HG13 VAL 2 15.153 6.418 0.505 18 HG21 VAL 2 HG21 VAL 2 12.391 8.261 2.118 19 HG22 VAL 2 HG22 VAL 2 12.427 6.738 3.007 20 HG23 VAL 2 HG23 VAL 2 11.151 7.041 1.827 21 H GLN 3 HN GLN 3 12.900 6.178 -2.768 22 HA GLN 3 HA GLN 3 10.478 4.422 -2.605 23 HB2 GLN 3 HB2 GLN 3 10.360 4.711 -4.990 24 HB3 GLN 3 HB1 GLN 3 10.695 6.305 -4.314 25 HG2 GLN 3 HG2 GLN 3 13.176 5.769 -4.680 26 HG3 GLN 3 HG1 GLN 3 12.629 4.409 -5.660 27 HE21 GLN 3 HE21 GLN 3 11.437 7.806 -5.356 28 HE22 GLN 3 HE22 GLN 3 11.520 8.139 -7.019 29 H TRP 4 HN TRP 4 13.926 4.511 -3.409 30 HA TRP 4 HA TRP 4 14.021 1.715 -4.271 31 HB2 TRP 4 HB2 TRP 4 15.580 4.020 -4.488 32 HB3 TRP 4 HB1 TRP 4 16.523 2.973 -3.428 33 HD1 TRP 4 HD1 TRP 4 16.504 0.252 -4.425 34 HE1 TRP 4 HE1 TRP 4 17.104 -0.460 -6.829 35 HE3 TRP 4 HE3 TRP 4 15.771 4.678 -6.865 36 HZ2 TRP 4 HZ2 TRP 4 17.253 0.695 -9.442 37 HZ3 TRP 4 HZ3 TRP 4 16.148 4.844 -9.307 38 HH2 TRP 4 HH2 TRP 4 16.888 2.860 -10.599 39 H PHE 5 HN PHE 5 14.871 3.556 -1.346 40 HA PHE 5 HA PHE 5 15.908 1.246 0.094 41 HB2 PHE 5 HB2 PHE 5 16.278 3.851 0.327 42 HB3 PHE 5 HB1 PHE 5 14.852 3.764 1.361 43 HD1 PHE 5 HD1 PHE 5 15.492 3.814 3.605 44 HD2 PHE 5 HD2 PHE 5 17.770 1.466 0.821 45 HE1 PHE 5 HE1 PHE 5 16.899 2.971 5.466 46 HE2 PHE 5 HE2 PHE 5 19.176 0.624 2.682 47 HZ PHE 5 HZ PHE 5 18.741 1.376 5.004 48 H SER 6 HN SER 6 12.762 2.713 -0.375 49 HA SER 6 HA SER 6 11.527 1.311 1.900 50 HB2 SER 6 HB2 SER 6 9.548 2.487 1.154 51 HB3 SER 6 HB1 SER 6 10.909 3.599 0.997 52 HG SER 6 HG SER 6 9.348 3.248 -0.859 53 H LYS 7 HN LYS 7 12.082 0.773 -1.502 54 HA LYS 7 HA LYS 7 9.999 -1.070 -2.119 55 HB2 LYS 7 HB2 LYS 7 12.707 -0.330 -3.083 56 HB3 LYS 7 HB1 LYS 7 12.114 -1.908 -3.601 57 HG2 LYS 7 HG2 LYS 7 10.058 0.161 -3.800 58 HG3 LYS 7 HG1 LYS 7 11.480 0.540 -4.773 59 HD2 LYS 7 HD2 LYS 7 10.120 -2.165 -4.831 60 HD3 LYS 7 HD1 LYS 7 9.707 -0.860 -5.943 61 HE2 LYS 7 HE2 LYS 7 12.502 -0.971 -6.046 62 HE3 LYS 7 HE1 LYS 7 11.993 -2.670 -6.015 63 HZ1 LYS 7 HZ1 LYS 7 10.235 -1.959 -7.677 64 HZ2 LYS 7 HZ2 LYS 7 11.830 -2.016 -8.258 65 HZ3 LYS 7 HZ3 LYS 7 11.118 -0.523 -7.867 66 H PHE 8 HN PHE 8 12.817 -1.404 -0.111 67 HA PHE 8 HA PHE 8 12.474 -4.378 -0.050 68 HB2 PHE 8 HB2 PHE 8 14.688 -2.644 -0.339 69 HB3 PHE 8 HB1 PHE 8 14.818 -3.321 1.282 70 HD1 PHE 8 HD1 PHE 8 16.215 -3.824 -1.680 71 HD2 PHE 8 HD2 PHE 8 13.638 -5.982 0.994 72 HE1 PHE 8 HE1 PHE 8 17.016 -5.967 -2.639 73 HE2 PHE 8 HE2 PHE 8 14.437 -8.125 0.034 74 HZ PHE 8 HZ PHE 8 16.125 -8.118 -1.782 75 H LEU 9 HN LEU 9 12.715 -1.440 1.908 76 HA LEU 9 HA LEU 9 12.256 -2.947 4.414 77 HB2 LEU 9 HB2 LEU 9 12.522 0.028 3.882 78 HB3 LEU 9 HB1 LEU 9 12.737 -0.795 5.424 79 HG LEU 9 HG LEU 9 14.444 -1.228 2.958 80 HD11 LEU 9 HD11 LEU 9 14.649 0.558 5.328 81 HD12 LEU 9 HD12 LEU 9 15.297 0.768 3.701 82 HD13 LEU 9 HD13 LEU 9 16.126 -0.281 4.851 83 HD21 LEU 9 HD21 LEU 9 15.746 -2.201 5.224 84 HD22 LEU 9 HD22 LEU 9 14.948 -3.176 3.991 85 HD23 LEU 9 HD23 LEU 9 14.073 -2.709 5.448 86 H GLY 10 HN GLY 10 10.689 -0.309 2.559 87 HA2 GLY 10 HA2 GLY 10 8.391 0.022 4.133 88 HA3 GLY 10 HA1 GLY 10 8.408 0.246 2.385 89 H ARG 11 HN ARG 11 9.276 -2.633 2.060 90 HA ARG 11 HA ARG 11 6.628 -3.778 1.801 91 HB2 ARG 11 HB2 ARG 11 7.749 -5.267 0.487 92 HB3 ARG 11 HB1 ARG 11 9.015 -4.046 0.588 93 HG2 ARG 11 HG2 ARG 11 10.018 -5.238 2.487 94 HG3 ARG 11 HG1 ARG 11 8.762 -6.474 2.382 95 HD2 ARG 11 HD2 ARG 11 9.869 -6.081 -0.228 96 HD3 ARG 11 HD1 ARG 11 11.201 -6.352 0.914 97 HE ARG 11 HE ARG 11 9.247 -8.211 1.640 98 HH11 ARG 11 HH11 ARG 11 9.211 -10.313 0.844 99 HH12 ARG 11 HH12 ARG 11 9.966 -10.671 -0.674 100 HH21 ARG 11 HH21 ARG 11 11.015 -7.421 -1.246 101 HH22 ARG 11 HH22 ARG 11 10.981 -9.042 -1.846 102 H ILE 12 HN ILE 12 8.982 -3.739 4.343 103 HA ILE 12 HA ILE 12 7.503 -5.939 5.755 104 HB ILE 12 HB ILE 12 10.140 -5.158 6.801 105 HG12 ILE 12 HG12 ILE 12 9.991 -6.424 4.054 106 HG13 ILE 12 HG11 ILE 12 10.560 -4.787 4.378 107 HG21 ILE 12 HG21 ILE 12 8.770 -7.180 7.410 108 HG22 ILE 12 HG22 ILE 12 10.424 -7.551 6.921 109 HG23 ILE 12 HG23 ILE 12 9.091 -7.813 5.795 110 HD11 ILE 12 HD11 ILE 12 12.221 -5.873 6.014 111 HD12 ILE 12 HD12 ILE 12 12.536 -6.088 4.292 112 HD13 ILE 12 HD13 ILE 12 11.812 -7.397 5.226 113 H LEU 13 HN LEU 13 8.837 -2.687 5.942 114 HA LEU 13 HA LEU 13 8.324 -2.255 8.742 115 HB2 LEU 13 HB2 LEU 13 9.090 -0.750 6.281 116 HB3 LEU 13 HB1 LEU 13 8.578 0.167 7.686 117 HG LEU 13 HG LEU 13 11.023 -0.184 7.691 118 HD11 LEU 13 HD11 LEU 13 9.951 -1.970 9.851 119 HD12 LEU 13 HD12 LEU 13 9.478 -0.271 9.813 120 HD13 LEU 13 HD13 LEU 13 11.180 -0.710 9.959 121 HD21 LEU 13 HD21 LEU 13 11.929 -2.451 7.941 122 HD22 LEU 13 HD22 LEU 13 11.004 -2.328 6.446 123 HD23 LEU 13 HD23 LEU 13 10.301 -3.123 7.853 Start of MODEL 5 1 H1 PHE 1 HT1 PHE 1 10.129 9.707 -0.600 2 H2 PHE 1 HT2 PHE 1 9.550 10.957 0.394 3 H3 PHE 1 HT3 PHE 1 9.677 9.374 1.000 4 HA PHE 1 HA PHE 1 11.832 11.319 0.444 5 HB2 PHE 1 HB2 PHE 1 10.435 10.103 2.667 6 HB3 PHE 1 HB1 PHE 1 12.157 9.740 2.768 7 HD1 PHE 1 HD1 PHE 1 9.724 12.078 3.667 8 HD2 PHE 1 HD2 PHE 1 13.713 11.852 2.089 9 HE1 PHE 1 HE1 PHE 1 10.166 14.389 4.454 10 HE2 PHE 1 HE2 PHE 1 14.154 14.163 2.874 11 HZ PHE 1 HZ PHE 1 12.382 15.431 4.057 12 H VAL 2 HN VAL 2 10.961 7.936 0.244 13 HA VAL 2 HA VAL 2 13.649 7.326 -0.857 14 HB VAL 2 HB VAL 2 13.157 5.201 0.872 15 HG11 VAL 2 HG11 VAL 2 15.333 6.251 0.443 16 HG12 VAL 2 HG12 VAL 2 15.029 6.181 2.179 17 HG13 VAL 2 HG13 VAL 2 14.821 7.701 1.308 18 HG21 VAL 2 HG21 VAL 2 12.578 6.139 3.008 19 HG22 VAL 2 HG22 VAL 2 11.344 6.676 1.868 20 HG23 VAL 2 HG23 VAL 2 12.626 7.780 2.366 21 H GLN 3 HN GLN 3 13.142 6.327 -2.769 22 HA GLN 3 HA GLN 3 10.656 4.684 -2.928 23 HB2 GLN 3 HB2 GLN 3 10.786 5.121 -5.269 24 HB3 GLN 3 HB1 GLN 3 11.267 6.632 -4.496 25 HG2 GLN 3 HG2 GLN 3 13.653 5.970 -4.752 26 HG3 GLN 3 HG1 GLN 3 13.137 4.510 -5.595 27 HE21 GLN 3 HE21 GLN 3 12.147 7.983 -5.822 28 HE22 GLN 3 HE22 GLN 3 12.343 8.075 -7.507 29 H TRP 4 HN TRP 4 14.166 4.532 -3.494 30 HA TRP 4 HA TRP 4 14.090 1.735 -4.367 31 HB2 TRP 4 HB2 TRP 4 15.868 3.963 -4.363 32 HB3 TRP 4 HB1 TRP 4 16.676 2.650 -3.506 33 HD1 TRP 4 HD1 TRP 4 16.822 0.260 -4.840 34 HE1 TRP 4 HE1 TRP 4 17.074 -0.192 -7.366 35 HE3 TRP 4 HE3 TRP 4 15.345 4.781 -6.699 36 HZ2 TRP 4 HZ2 TRP 4 16.698 1.182 -9.848 37 HZ3 TRP 4 HZ3 TRP 4 15.302 5.182 -9.145 38 HH2 TRP 4 HH2 TRP 4 15.975 3.390 -10.719 39 H PHE 5 HN PHE 5 14.846 3.516 -1.391 40 HA PHE 5 HA PHE 5 15.756 1.169 0.080 41 HB2 PHE 5 HB2 PHE 5 16.012 3.858 0.327 42 HB3 PHE 5 HB1 PHE 5 14.691 3.584 1.462 43 HD1 PHE 5 HD1 PHE 5 15.572 3.625 3.629 44 HD2 PHE 5 HD2 PHE 5 17.666 1.489 0.546 45 HE1 PHE 5 HE1 PHE 5 17.192 2.785 5.310 46 HE2 PHE 5 HE2 PHE 5 19.284 0.648 2.228 47 HZ PHE 5 HZ PHE 5 19.047 1.297 4.609 48 H SER 6 HN SER 6 12.670 2.651 -0.609 49 HA SER 6 HA SER 6 11.266 1.324 1.612 50 HB2 SER 6 HB2 SER 6 10.446 2.948 -0.812 51 HB3 SER 6 HB1 SER 6 9.287 2.328 0.364 52 HG SER 6 HG SER 6 10.463 3.465 1.976 53 H LYS 7 HN LYS 7 12.054 0.674 -1.727 54 HA LYS 7 HA LYS 7 10.013 -1.201 -2.399 55 HB2 LYS 7 HB2 LYS 7 12.805 -0.540 -3.232 56 HB3 LYS 7 HB1 LYS 7 12.129 -2.064 -3.804 57 HG2 LYS 7 HG2 LYS 7 10.076 -0.172 -4.149 58 HG3 LYS 7 HG1 LYS 7 11.548 0.637 -4.689 59 HD2 LYS 7 HD2 LYS 7 11.954 -0.938 -6.366 60 HD3 LYS 7 HD1 LYS 7 11.007 -2.188 -5.559 61 HE2 LYS 7 HE2 LYS 7 8.924 -1.002 -6.096 62 HE3 LYS 7 HE1 LYS 7 9.849 0.318 -6.838 63 HZ1 LYS 7 HZ1 LYS 7 9.162 -1.285 -8.517 64 HZ2 LYS 7 HZ2 LYS 7 9.911 -2.545 -7.657 65 HZ3 LYS 7 HZ3 LYS 7 10.849 -1.308 -8.347 66 H PHE 8 HN PHE 8 12.691 -1.446 -0.205 67 HA PHE 8 HA PHE 8 12.312 -4.415 -0.043 68 HB2 PHE 8 HB2 PHE 8 14.579 -2.715 -0.384 69 HB3 PHE 8 HB1 PHE 8 14.706 -3.450 1.211 70 HD1 PHE 8 HD1 PHE 8 13.550 -6.070 0.953 71 HD2 PHE 8 HD2 PHE 8 15.919 -3.890 -1.891 72 HE1 PHE 8 HE1 PHE 8 14.256 -8.204 -0.096 73 HE2 PHE 8 HE2 PHE 8 16.625 -6.024 -2.939 74 HZ PHE 8 HZ PHE 8 15.793 -8.181 -2.042 75 H LEU 9 HN LEU 9 12.903 -1.442 1.838 76 HA LEU 9 HA LEU 9 12.379 -2.769 4.406 77 HB2 LEU 9 HB2 LEU 9 12.571 0.176 3.696 78 HB3 LEU 9 HB1 LEU 9 12.844 -0.554 5.277 79 HG LEU 9 HG LEU 9 14.523 -0.937 2.784 80 HD11 LEU 9 HD11 LEU 9 15.978 0.539 3.705 81 HD12 LEU 9 HD12 LEU 9 15.760 -0.122 5.326 82 HD13 LEU 9 HD13 LEU 9 14.608 1.052 4.689 83 HD21 LEU 9 HD21 LEU 9 14.691 -2.264 5.507 84 HD22 LEU 9 HD22 LEU 9 15.944 -2.363 4.270 85 HD23 LEU 9 HD23 LEU 9 14.352 -3.061 3.971 86 H GLY 10 HN GLY 10 10.711 -0.421 2.292 87 HA2 GLY 10 HA2 GLY 10 8.430 0.032 3.904 88 HA3 GLY 10 HA1 GLY 10 8.432 0.128 2.142 89 H ARG 11 HN ARG 11 9.404 -2.776 2.119 90 HA ARG 11 HA ARG 11 6.792 -4.023 1.881 91 HB2 ARG 11 HB2 ARG 11 9.555 -5.280 2.007 92 HB3 ARG 11 HB1 ARG 11 8.120 -5.964 1.250 93 HG2 ARG 11 HG2 ARG 11 9.213 -3.304 0.341 94 HG3 ARG 11 HG1 ARG 11 9.882 -4.811 -0.271 95 HD2 ARG 11 HD2 ARG 11 8.167 -4.195 -1.825 96 HD3 ARG 11 HD1 ARG 11 7.446 -5.468 -0.823 97 HE ARG 11 HE ARG 11 5.998 -3.831 0.079 98 HH11 ARG 11 HH11 ARG 11 5.256 -1.734 0.389 99 HH12 ARG 11 HH12 ARG 11 6.223 -0.393 -0.127 100 HH21 ARG 11 HH21 ARG 11 8.800 -2.353 -1.355 101 HH22 ARG 11 HH22 ARG 11 8.215 -0.745 -1.108 102 H ILE 12 HN ILE 12 8.928 -3.466 4.498 103 HA ILE 12 HA ILE 12 7.547 -5.554 6.146 104 HB ILE 12 HB ILE 12 10.149 -4.643 7.101 105 HG12 ILE 12 HG12 ILE 12 9.990 -5.860 4.328 106 HG13 ILE 12 HG11 ILE 12 10.623 -4.266 4.729 107 HG21 ILE 12 HG21 ILE 12 10.559 -7.034 7.225 108 HG22 ILE 12 HG22 ILE 12 9.202 -7.360 6.148 109 HG23 ILE 12 HG23 ILE 12 8.911 -6.721 7.766 110 HD11 ILE 12 HD11 ILE 12 12.377 -5.305 6.116 111 HD12 ILE 12 HD12 ILE 12 12.455 -5.890 4.453 112 HD13 ILE 12 HD13 ILE 12 11.750 -6.904 5.712 113 H LEU 13 HN LEU 13 8.915 -2.289 5.999 114 HA LEU 13 HA LEU 13 8.211 -1.588 8.727 115 HB2 LEU 13 HB2 LEU 13 9.442 -0.440 6.286 116 HB3 LEU 13 HB1 LEU 13 8.741 0.710 7.406 117 HG LEU 13 HG LEU 13 10.041 -0.729 9.194 118 HD11 LEU 13 HD11 LEU 13 10.715 -2.192 7.029 119 HD12 LEU 13 HD12 LEU 13 11.758 -2.049 8.444 120 HD13 LEU 13 HD13 LEU 13 12.049 -1.039 7.028 121 HD21 LEU 13 HD21 LEU 13 10.786 1.440 9.171 122 HD22 LEU 13 HD22 LEU 13 10.909 1.483 7.413 123 HD23 LEU 13 HD23 LEU 13 12.175 0.709 8.366 Start of MODEL 6 1 H1 PHE 1 HT1 PHE 1 9.869 10.178 0.430 2 H2 PHE 1 HT2 PHE 1 10.576 11.396 1.380 3 H3 PHE 1 HT3 PHE 1 11.159 9.802 1.464 4 HA PHE 1 HA PHE 1 11.201 11.110 -1.159 5 HB2 PHE 1 HB2 PHE 1 12.710 11.894 1.317 6 HB3 PHE 1 HB1 PHE 1 13.519 12.001 -0.246 7 HD1 PHE 1 HD1 PHE 1 11.733 12.956 -2.156 8 HD2 PHE 1 HD2 PHE 1 11.794 13.907 2.032 9 HE1 PHE 1 HE1 PHE 1 10.549 15.084 -2.623 10 HE2 PHE 1 HE2 PHE 1 10.610 16.036 1.566 11 HZ PHE 1 HZ PHE 1 9.988 16.625 -0.762 12 H VAL 2 HN VAL 2 11.128 8.342 -0.164 13 HA VAL 2 HA VAL 2 13.760 7.442 -1.246 14 HB VAL 2 HB VAL 2 12.997 5.704 0.874 15 HG11 VAL 2 HG11 VAL 2 15.277 6.824 -0.147 16 HG12 VAL 2 HG12 VAL 2 15.209 5.931 1.373 17 HG13 VAL 2 HG13 VAL 2 15.123 7.694 1.380 18 HG21 VAL 2 HG21 VAL 2 12.950 7.251 2.779 19 HG22 VAL 2 HG22 VAL 2 11.610 7.603 1.686 20 HG23 VAL 2 HG23 VAL 2 13.045 8.629 1.681 21 H GLN 3 HN GLN 3 13.131 6.270 -3.014 22 HA GLN 3 HA GLN 3 10.645 4.619 -2.849 23 HB2 GLN 3 HB2 GLN 3 10.631 4.810 -5.235 24 HB3 GLN 3 HB1 GLN 3 11.094 6.403 -4.639 25 HG2 GLN 3 HG2 GLN 3 13.520 5.637 -4.888 26 HG3 GLN 3 HG1 GLN 3 12.891 4.255 -5.784 27 HE21 GLN 3 HE21 GLN 3 13.962 5.085 -7.763 28 HE22 GLN 3 HE22 GLN 3 13.296 6.397 -8.611 29 H TRP 4 HN TRP 4 14.124 4.470 -3.459 30 HA TRP 4 HA TRP 4 14.111 1.635 -4.193 31 HB2 TRP 4 HB2 TRP 4 15.883 3.908 -4.154 32 HB3 TRP 4 HB1 TRP 4 16.674 2.545 -3.366 33 HD1 TRP 4 HD1 TRP 4 15.802 3.891 -6.711 34 HE1 TRP 4 HE1 TRP 4 16.389 2.178 -8.546 35 HE3 TRP 4 HE3 TRP 4 16.686 -0.227 -3.823 36 HZ2 TRP 4 HZ2 TRP 4 17.134 -0.575 -8.760 37 HZ3 TRP 4 HZ3 TRP 4 17.331 -2.379 -4.867 38 HH2 TRP 4 HH2 TRP 4 17.557 -2.559 -7.330 39 H PHE 5 HN PHE 5 14.797 3.568 -1.293 40 HA PHE 5 HA PHE 5 15.700 1.310 0.310 41 HB2 PHE 5 HB2 PHE 5 16.034 3.943 0.448 42 HB3 PHE 5 HB1 PHE 5 14.578 3.855 1.439 43 HD1 PHE 5 HD1 PHE 5 15.225 4.064 3.684 44 HD2 PHE 5 HD2 PHE 5 17.484 1.510 1.069 45 HE1 PHE 5 HE1 PHE 5 16.593 3.302 5.608 46 HE2 PHE 5 HE2 PHE 5 18.850 0.749 2.993 47 HZ PHE 5 HZ PHE 5 18.406 1.646 5.262 48 H SER 6 HN SER 6 12.609 2.738 -0.481 49 HA SER 6 HA SER 6 11.191 1.434 1.756 50 HB2 SER 6 HB2 SER 6 10.746 3.712 0.546 51 HB3 SER 6 HB1 SER 6 9.958 2.718 -0.679 52 HG SER 6 HG SER 6 9.233 3.226 1.958 53 H LYS 7 HN LYS 7 11.970 0.819 -1.592 54 HA LYS 7 HA LYS 7 9.934 -1.059 -2.275 55 HB2 LYS 7 HB2 LYS 7 12.651 -0.259 -3.142 56 HB3 LYS 7 HB1 LYS 7 12.146 -1.872 -3.645 57 HG2 LYS 7 HG2 LYS 7 9.907 -0.219 -4.065 58 HG3 LYS 7 HG1 LYS 7 11.287 0.706 -4.656 59 HD2 LYS 7 HD2 LYS 7 11.935 -1.040 -6.154 60 HD3 LYS 7 HD1 LYS 7 10.841 -2.194 -5.393 61 HE2 LYS 7 HE2 LYS 7 9.851 0.333 -6.747 62 HE3 LYS 7 HE1 LYS 7 9.999 -1.219 -7.594 63 HZ1 LYS 7 HZ1 LYS 7 7.848 -1.253 -6.703 64 HZ2 LYS 7 HZ2 LYS 7 8.334 -0.550 -5.235 65 HZ3 LYS 7 HZ3 LYS 7 8.752 -2.158 -5.589 66 H PHE 8 HN PHE 8 12.573 -1.307 -0.061 67 HA PHE 8 HA PHE 8 12.281 -4.289 0.010 68 HB2 PHE 8 HB2 PHE 8 14.504 -2.547 -0.277 69 HB3 PHE 8 HB1 PHE 8 14.621 -3.249 1.334 70 HD1 PHE 8 HD1 PHE 8 14.575 -3.950 -2.279 71 HD2 PHE 8 HD2 PHE 8 14.882 -5.667 1.647 72 HE1 PHE 8 HE1 PHE 8 15.364 -6.081 -3.273 73 HE2 PHE 8 HE2 PHE 8 15.673 -7.797 0.652 74 HZ PHE 8 HZ PHE 8 15.913 -8.004 -1.807 75 H LEU 9 HN LEU 9 12.867 -1.391 2.018 76 HA LEU 9 HA LEU 9 12.287 -2.787 4.522 77 HB2 LEU 9 HB2 LEU 9 12.443 0.172 3.859 78 HB3 LEU 9 HB1 LEU 9 12.630 -0.557 5.452 79 HG LEU 9 HG LEU 9 14.447 -0.961 3.064 80 HD11 LEU 9 HD11 LEU 9 14.487 1.184 4.595 81 HD12 LEU 9 HD12 LEU 9 15.998 0.383 4.167 82 HD13 LEU 9 HD13 LEU 9 15.269 0.103 5.748 83 HD21 LEU 9 HD21 LEU 9 14.241 -2.313 5.744 84 HD22 LEU 9 HD22 LEU 9 15.812 -2.156 4.957 85 HD23 LEU 9 HD23 LEU 9 14.508 -3.034 4.157 86 H GLY 10 HN GLY 10 10.615 -0.366 2.495 87 HA2 GLY 10 HA2 GLY 10 8.288 -0.070 4.076 88 HA3 GLY 10 HA1 GLY 10 8.324 0.137 2.326 89 H ARG 11 HN ARG 11 9.359 -2.733 2.131 90 HA ARG 11 HA ARG 11 6.766 -4.012 1.802 91 HB2 ARG 11 HB2 ARG 11 9.550 -5.215 1.761 92 HB3 ARG 11 HB1 ARG 11 8.116 -5.827 0.939 93 HG2 ARG 11 HG2 ARG 11 9.638 -3.279 0.326 94 HG3 ARG 11 HG1 ARG 11 9.443 -4.688 -0.713 95 HD2 ARG 11 HD2 ARG 11 7.706 -3.514 -1.616 96 HD3 ARG 11 HD1 ARG 11 6.820 -4.001 -0.158 97 HE ARG 11 HE ARG 11 8.487 -1.675 0.327 98 HH11 ARG 11 HH11 ARG 11 7.456 0.303 0.602 99 HH12 ARG 11 HH12 ARG 11 5.809 0.491 0.107 100 HH21 ARG 11 HH21 ARG 11 5.479 -2.758 -1.038 101 HH22 ARG 11 HH22 ARG 11 4.700 -1.232 -0.815 102 H ILE 12 HN ILE 12 8.955 -3.675 4.431 103 HA ILE 12 HA ILE 12 7.620 -5.940 5.876 104 HB ILE 12 HB ILE 12 10.210 -5.166 6.927 105 HG12 ILE 12 HG12 ILE 12 10.124 -5.966 4.003 106 HG13 ILE 12 HG11 ILE 12 10.674 -4.414 4.634 107 HG21 ILE 12 HG21 ILE 12 10.495 -7.456 7.049 108 HG22 ILE 12 HG22 ILE 12 9.719 -7.741 5.491 109 HG23 ILE 12 HG23 ILE 12 8.738 -7.393 6.915 110 HD11 ILE 12 HD11 ILE 12 12.612 -5.826 4.211 111 HD12 ILE 12 HD12 ILE 12 11.920 -7.117 5.195 112 HD13 ILE 12 HD13 ILE 12 12.422 -5.604 5.951 113 H LEU 13 HN LEU 13 8.919 -2.655 6.039 114 HA LEU 13 HA LEU 13 8.477 -2.194 8.828 115 HB2 LEU 13 HB2 LEU 13 9.111 -0.744 6.322 116 HB3 LEU 13 HB1 LEU 13 8.457 0.226 7.631 117 HG LEU 13 HG LEU 13 10.968 0.035 7.661 118 HD11 LEU 13 HD11 LEU 13 10.652 -1.210 10.152 119 HD12 LEU 13 HD12 LEU 13 9.092 -0.457 9.822 120 HD13 LEU 13 HD13 LEU 13 10.559 0.522 9.825 121 HD21 LEU 13 HD21 LEU 13 10.654 -2.507 6.945 122 HD22 LEU 13 HD22 LEU 13 10.655 -2.753 8.692 123 HD23 LEU 13 HD23 LEU 13 12.042 -1.999 7.905 Start of MODEL 7 1 H1 PHE 1 HT1 PHE 1 12.780 12.003 0.721 2 H2 PHE 1 HT2 PHE 1 12.009 10.666 1.430 3 H3 PHE 1 HT3 PHE 1 11.111 12.048 1.018 4 HA PHE 1 HA PHE 1 10.616 10.586 -0.713 5 HB2 PHE 1 HB2 PHE 1 12.996 12.332 -1.424 6 HB3 PHE 1 HB1 PHE 1 11.876 11.645 -2.601 7 HD1 PHE 1 HD1 PHE 1 12.603 14.598 -1.067 8 HD2 PHE 1 HD2 PHE 1 9.261 11.955 -1.603 9 HE1 PHE 1 HE1 PHE 1 11.047 16.492 -0.693 10 HE2 PHE 1 HE2 PHE 1 7.703 13.848 -1.229 11 HZ PHE 1 HZ PHE 1 8.596 16.117 -0.775 12 H VAL 2 HN VAL 2 11.147 8.382 -0.326 13 HA VAL 2 HA VAL 2 13.759 7.508 -1.485 14 HB VAL 2 HB VAL 2 13.230 5.811 0.683 15 HG11 VAL 2 HG11 VAL 2 15.350 6.457 1.339 16 HG12 VAL 2 HG12 VAL 2 15.033 8.166 1.039 17 HG13 VAL 2 HG13 VAL 2 15.363 7.080 -0.311 18 HG21 VAL 2 HG21 VAL 2 11.572 7.547 1.431 19 HG22 VAL 2 HG22 VAL 2 12.898 8.706 1.523 20 HG23 VAL 2 HG23 VAL 2 12.888 7.292 2.576 21 H GLN 3 HN GLN 3 13.073 6.269 -3.199 22 HA GLN 3 HA GLN 3 10.641 4.570 -2.881 23 HB2 GLN 3 HB2 GLN 3 10.606 4.589 -5.274 24 HB3 GLN 3 HB1 GLN 3 11.062 6.225 -4.801 25 HG2 GLN 3 HG2 GLN 3 13.470 5.568 -5.072 26 HG3 GLN 3 HG1 GLN 3 12.930 4.010 -5.697 27 HE21 GLN 3 HE21 GLN 3 13.122 7.472 -6.418 28 HE22 GLN 3 HE22 GLN 3 12.680 7.337 -8.051 29 H TRP 4 HN TRP 4 14.120 4.409 -3.512 30 HA TRP 4 HA TRP 4 14.140 1.539 -4.056 31 HB2 TRP 4 HB2 TRP 4 15.887 3.817 -4.149 32 HB3 TRP 4 HB1 TRP 4 16.681 2.541 -3.227 33 HD1 TRP 4 HD1 TRP 4 15.928 -0.031 -4.606 34 HE1 TRP 4 HE1 TRP 4 16.563 -0.536 -7.053 35 HE3 TRP 4 HE3 TRP 4 16.671 4.721 -6.325 36 HZ2 TRP 4 HZ2 TRP 4 17.289 0.886 -9.426 37 HZ3 TRP 4 HZ3 TRP 4 17.334 5.116 -8.680 38 HH2 TRP 4 HH2 TRP 4 17.644 3.207 -10.231 39 H PHE 5 HN PHE 5 14.659 3.625 -1.243 40 HA PHE 5 HA PHE 5 15.610 1.470 0.487 41 HB2 PHE 5 HB2 PHE 5 15.947 4.083 0.515 42 HB3 PHE 5 HB1 PHE 5 14.427 4.081 1.407 43 HD1 PHE 5 HD1 PHE 5 17.645 2.136 1.349 44 HD2 PHE 5 HD2 PHE 5 14.584 3.991 3.725 45 HE1 PHE 5 HE1 PHE 5 18.861 1.499 3.415 46 HE2 PHE 5 HE2 PHE 5 15.800 3.353 5.790 47 HZ PHE 5 HZ PHE 5 17.938 2.107 5.635 48 H SER 6 HN SER 6 12.506 2.837 -0.393 49 HA SER 6 HA SER 6 11.100 1.552 1.870 50 HB2 SER 6 HB2 SER 6 10.685 3.842 0.610 51 HB3 SER 6 HB1 SER 6 9.791 2.822 -0.517 52 HG SER 6 HG SER 6 9.178 3.582 2.041 53 H LYS 7 HN LYS 7 11.829 0.953 -1.498 54 HA LYS 7 HA LYS 7 9.755 -0.945 -2.088 55 HB2 LYS 7 HB2 LYS 7 12.374 -0.050 -3.152 56 HB3 LYS 7 HB1 LYS 7 11.867 -1.664 -3.651 57 HG2 LYS 7 HG2 LYS 7 9.616 0.127 -3.794 58 HG3 LYS 7 HG1 LYS 7 10.971 0.822 -4.684 59 HD2 LYS 7 HD2 LYS 7 10.496 -2.084 -5.087 60 HD3 LYS 7 HD1 LYS 7 9.281 -0.999 -5.763 61 HE2 LYS 7 HE2 LYS 7 12.019 -0.073 -6.275 62 HE3 LYS 7 HE1 LYS 7 11.677 -1.658 -6.994 63 HZ1 LYS 7 HZ1 LYS 7 10.940 0.558 -8.184 64 HZ2 LYS 7 HZ2 LYS 7 9.609 0.418 -7.139 65 HZ3 LYS 7 HZ3 LYS 7 9.965 -0.828 -8.237 66 H PHE 8 HN PHE 8 12.546 -1.154 -0.067 67 HA PHE 8 HA PHE 8 12.378 -4.149 -0.080 68 HB2 PHE 8 HB2 PHE 8 14.506 -2.355 -0.467 69 HB3 PHE 8 HB1 PHE 8 14.724 -2.968 1.170 70 HD1 PHE 8 HD1 PHE 8 13.519 -5.685 0.893 71 HD2 PHE 8 HD2 PHE 8 16.171 -3.517 -1.699 72 HE1 PHE 8 HE1 PHE 8 14.378 -7.825 -0.016 73 HE2 PHE 8 HE2 PHE 8 17.030 -5.658 -2.609 74 HZ PHE 8 HZ PHE 8 16.134 -7.812 -1.768 75 H LEU 9 HN LEU 9 12.658 -1.244 1.944 76 HA LEU 9 HA LEU 9 12.372 -2.802 4.432 77 HB2 LEU 9 HB2 LEU 9 12.361 0.195 3.971 78 HB3 LEU 9 HB1 LEU 9 12.772 -0.655 5.458 79 HG LEU 9 HG LEU 9 14.314 -0.808 2.852 80 HD11 LEU 9 HD11 LEU 9 15.674 0.137 5.268 81 HD12 LEU 9 HD12 LEU 9 14.338 1.183 4.783 82 HD13 LEU 9 HD13 LEU 9 15.645 0.840 3.650 83 HD21 LEU 9 HD21 LEU 9 15.975 -1.945 4.532 84 HD22 LEU 9 HD22 LEU 9 14.653 -2.897 3.857 85 HD23 LEU 9 HD23 LEU 9 14.524 -2.241 5.489 86 H GLY 10 HN GLY 10 10.477 -0.497 2.483 87 HA2 GLY 10 HA2 GLY 10 8.248 -0.260 4.235 88 HA3 GLY 10 HA1 GLY 10 8.177 -0.034 2.487 89 H ARG 11 HN ARG 11 9.251 -2.817 2.086 90 HA ARG 11 HA ARG 11 6.707 -4.195 1.927 91 HB2 ARG 11 HB2 ARG 11 9.524 -5.295 1.697 92 HB3 ARG 11 HB1 ARG 11 8.067 -5.943 0.946 93 HG2 ARG 11 HG2 ARG 11 9.571 -3.419 0.271 94 HG3 ARG 11 HG1 ARG 11 9.089 -4.734 -0.801 95 HD2 ARG 11 HD2 ARG 11 7.267 -2.673 0.488 96 HD3 ARG 11 HD1 ARG 11 7.580 -2.899 -1.243 97 HE ARG 11 HE ARG 11 6.714 -5.395 -0.329 98 HH11 ARG 11 HH11 ARG 11 4.566 -6.041 -0.427 99 HH12 ARG 11 HH12 ARG 11 3.310 -4.850 -0.480 100 HH21 ARG 11 HH21 ARG 11 5.474 -2.148 -0.376 101 HH22 ARG 11 HH22 ARG 11 3.824 -2.660 -0.452 102 H ILE 12 HN ILE 12 9.060 -3.856 4.424 103 HA ILE 12 HA ILE 12 7.905 -6.218 5.872 104 HB ILE 12 HB ILE 12 10.446 -5.234 6.879 105 HG12 ILE 12 HG12 ILE 12 10.274 -5.941 3.938 106 HG13 ILE 12 HG11 ILE 12 10.883 -4.441 4.636 107 HG21 ILE 12 HG21 ILE 12 10.881 -7.485 7.040 108 HG22 ILE 12 HG22 ILE 12 10.186 -7.838 5.458 109 HG23 ILE 12 HG23 ILE 12 9.130 -7.583 6.847 110 HD11 ILE 12 HD11 ILE 12 12.834 -5.696 4.146 111 HD12 ILE 12 HD12 ILE 12 12.121 -7.193 4.748 112 HD13 ILE 12 HD13 ILE 12 12.588 -5.922 5.877 113 H LEU 13 HN LEU 13 8.631 -2.796 5.957 114 HA LEU 13 HA LEU 13 8.184 -2.514 8.834 115 HB2 LEU 13 HB2 LEU 13 8.949 -0.920 6.449 116 HB3 LEU 13 HB1 LEU 13 8.226 -0.037 7.779 117 HG LEU 13 HG LEU 13 9.965 -1.601 9.139 118 HD11 LEU 13 HD11 LEU 13 11.140 -1.116 6.393 119 HD12 LEU 13 HD12 LEU 13 10.925 -2.667 7.205 120 HD13 LEU 13 HD13 LEU 13 12.118 -1.515 7.807 121 HD21 LEU 13 HD21 LEU 13 11.137 0.364 9.544 122 HD22 LEU 13 HD22 LEU 13 9.644 1.017 8.867 123 HD23 LEU 13 HD23 LEU 13 11.080 0.864 7.853 Start of MODEL 8 1 H1 PHE 1 HT1 PHE 1 12.229 12.678 -0.816 2 H2 PHE 1 HT2 PHE 1 13.680 11.842 -0.534 3 H3 PHE 1 HT3 PHE 1 12.844 12.558 0.761 4 HA PHE 1 HA PHE 1 11.775 10.647 1.102 5 HB2 PHE 1 HB2 PHE 1 10.345 12.038 -0.599 6 HB3 PHE 1 HB1 PHE 1 10.809 10.781 -1.747 7 HD1 PHE 1 HD1 PHE 1 9.801 10.855 1.874 8 HD2 PHE 1 HD2 PHE 1 9.177 9.147 -2.017 9 HE1 PHE 1 HE1 PHE 1 8.059 9.359 2.810 10 HE2 PHE 1 HE2 PHE 1 7.436 7.650 -1.081 11 HZ PHE 1 HZ PHE 1 6.877 7.756 1.332 12 H VAL 2 HN VAL 2 11.564 8.302 0.375 13 HA VAL 2 HA VAL 2 13.707 7.507 -1.559 14 HB VAL 2 HB VAL 2 13.734 5.630 0.518 15 HG11 VAL 2 HG11 VAL 2 15.459 7.705 -0.621 16 HG12 VAL 2 HG12 VAL 2 15.866 6.071 -0.101 17 HG13 VAL 2 HG13 VAL 2 15.808 7.381 1.077 18 HG21 VAL 2 HG21 VAL 2 13.674 8.438 1.662 19 HG22 VAL 2 HG22 VAL 2 13.950 6.943 2.557 20 HG23 VAL 2 HG23 VAL 2 12.370 7.263 1.840 21 H GLN 3 HN GLN 3 12.584 6.387 -3.112 22 HA GLN 3 HA GLN 3 10.246 4.721 -2.291 23 HB2 GLN 3 HB2 GLN 3 9.473 5.100 -4.455 24 HB3 GLN 3 HB1 GLN 3 10.423 6.563 -4.196 25 HG2 GLN 3 HG2 GLN 3 12.382 5.400 -5.257 26 HG3 GLN 3 HG1 GLN 3 11.315 4.049 -5.640 27 HE21 GLN 3 HE21 GLN 3 11.233 7.654 -5.974 28 HE22 GLN 3 HE22 GLN 3 10.604 7.635 -7.550 29 H TRP 4 HN TRP 4 13.422 4.554 -3.844 30 HA TRP 4 HA TRP 4 13.213 1.766 -4.638 31 HB2 TRP 4 HB2 TRP 4 15.062 4.001 -4.750 32 HB3 TRP 4 HB1 TRP 4 15.910 2.515 -4.324 33 HD1 TRP 4 HD1 TRP 4 13.828 4.099 -7.100 34 HE1 TRP 4 HE1 TRP 4 14.099 2.699 -9.247 35 HE3 TRP 4 HE3 TRP 4 16.459 0.134 -5.242 36 HZ2 TRP 4 HZ2 TRP 4 15.276 0.225 -10.069 37 HZ3 TRP 4 HZ3 TRP 4 17.143 -1.728 -6.729 38 HH2 TRP 4 HH2 TRP 4 16.555 -1.688 -9.137 39 H PHE 5 HN PHE 5 14.518 3.498 -1.821 40 HA PHE 5 HA PHE 5 15.648 1.130 -0.565 41 HB2 PHE 5 HB2 PHE 5 16.335 3.537 -0.235 42 HB3 PHE 5 HB1 PHE 5 14.820 3.794 0.631 43 HD1 PHE 5 HD1 PHE 5 17.625 1.291 0.583 44 HD2 PHE 5 HD2 PHE 5 14.918 3.641 2.949 45 HE1 PHE 5 HE1 PHE 5 18.659 0.397 2.652 46 HE2 PHE 5 HE2 PHE 5 15.952 2.747 5.019 47 HZ PHE 5 HZ PHE 5 17.823 1.126 4.871 48 H SER 6 HN SER 6 12.563 2.867 -0.388 49 HA SER 6 HA SER 6 11.497 1.524 1.919 50 HB2 SER 6 HB2 SER 6 10.712 3.400 -0.129 51 HB3 SER 6 HB1 SER 6 9.429 2.211 0.095 52 HG SER 6 HG SER 6 10.311 4.185 1.769 53 H LYS 7 HN LYS 7 11.810 0.624 -1.450 54 HA LYS 7 HA LYS 7 9.826 -1.407 -1.651 55 HB2 LYS 7 HB2 LYS 7 12.595 -1.135 -2.861 56 HB3 LYS 7 HB1 LYS 7 11.342 -2.221 -3.464 57 HG2 LYS 7 HG2 LYS 7 10.338 0.493 -3.106 58 HG3 LYS 7 HG1 LYS 7 11.712 0.448 -4.210 59 HD2 LYS 7 HD2 LYS 7 10.542 -1.490 -5.383 60 HD3 LYS 7 HD1 LYS 7 9.119 -1.100 -4.417 61 HE2 LYS 7 HE2 LYS 7 9.411 1.318 -5.312 62 HE3 LYS 7 HE1 LYS 7 10.471 0.585 -6.532 63 HZ1 LYS 7 HZ1 LYS 7 8.521 0.178 -7.575 64 HZ2 LYS 7 HZ2 LYS 7 7.601 0.300 -6.152 65 HZ3 LYS 7 HZ3 LYS 7 8.432 -1.138 -6.508 66 H PHE 8 HN PHE 8 12.885 -1.343 0.034 67 HA PHE 8 HA PHE 8 12.716 -4.293 0.539 68 HB2 PHE 8 HB2 PHE 8 14.780 -2.427 -0.167 69 HB3 PHE 8 HB1 PHE 8 15.143 -3.081 1.426 70 HD1 PHE 8 HD1 PHE 8 16.574 -4.914 1.362 71 HD2 PHE 8 HD2 PHE 8 13.645 -4.437 -1.744 72 HE1 PHE 8 HE1 PHE 8 17.335 -7.032 0.320 73 HE2 PHE 8 HE2 PHE 8 14.406 -6.555 -2.787 74 HZ PHE 8 HZ PHE 8 16.250 -7.852 -1.754 75 H LEU 9 HN LEU 9 12.668 -1.101 1.923 76 HA LEU 9 HA LEU 9 12.897 -2.057 4.703 77 HB2 LEU 9 HB2 LEU 9 14.061 -0.084 4.325 78 HB3 LEU 9 HB1 LEU 9 12.941 0.468 3.100 79 HG LEU 9 HG LEU 9 11.292 0.982 4.789 80 HD11 LEU 9 HD11 LEU 9 13.355 0.186 6.855 81 HD12 LEU 9 HD12 LEU 9 12.038 -0.874 6.356 82 HD13 LEU 9 HD13 LEU 9 11.684 0.662 7.147 83 HD21 LEU 9 HD21 LEU 9 13.872 2.221 4.569 84 HD22 LEU 9 HD22 LEU 9 13.287 2.395 6.225 85 HD23 LEU 9 HD23 LEU 9 12.311 2.984 4.878 86 H GLY 10 HN GLY 10 10.672 -0.089 2.737 87 HA2 GLY 10 HA2 GLY 10 8.515 -0.126 4.622 88 HA3 GLY 10 HA1 GLY 10 8.344 0.232 2.903 89 H ARG 11 HN ARG 11 9.558 -2.387 2.155 90 HA ARG 11 HA ARG 11 7.200 -3.953 1.881 91 HB2 ARG 11 HB2 ARG 11 8.620 -5.062 0.524 92 HB3 ARG 11 HB1 ARG 11 9.875 -3.941 1.043 93 HG2 ARG 11 HG2 ARG 11 10.492 -5.430 2.881 94 HG3 ARG 11 HG1 ARG 11 9.182 -6.534 2.455 95 HD2 ARG 11 HD2 ARG 11 10.500 -6.238 0.052 96 HD3 ARG 11 HD1 ARG 11 11.832 -6.246 1.225 97 HE ARG 11 HE ARG 11 9.866 -8.270 1.870 98 HH11 ARG 11 HH11 ARG 11 10.420 -10.420 1.518 99 HH12 ARG 11 HH12 ARG 11 11.747 -10.805 0.474 100 HH21 ARG 11 HH21 ARG 11 12.501 -7.508 -0.264 101 HH22 ARG 11 HH22 ARG 11 12.916 -9.166 -0.526 102 H ILE 12 HN ILE 12 9.533 -3.697 4.468 103 HA ILE 12 HA ILE 12 8.744 -6.192 5.801 104 HB ILE 12 HB ILE 12 10.189 -3.825 7.007 105 HG12 ILE 12 HG12 ILE 12 11.051 -5.628 4.793 106 HG13 ILE 12 HG11 ILE 12 11.460 -3.940 5.088 107 HG21 ILE 12 HG21 ILE 12 11.304 -5.504 8.309 108 HG22 ILE 12 HG22 ILE 12 10.698 -6.798 7.277 109 HG23 ILE 12 HG23 ILE 12 9.592 -5.918 8.331 110 HD11 ILE 12 HD11 ILE 12 12.783 -4.748 7.115 111 HD12 ILE 12 HD12 ILE 12 13.453 -5.185 5.543 112 HD13 ILE 12 HD13 ILE 12 12.570 -6.384 6.487 113 H LEU 13 HN LEU 13 8.012 -2.747 6.021 114 HA LEU 13 HA LEU 13 6.428 -2.946 8.444 115 HB2 LEU 13 HB2 LEU 13 7.027 -0.927 6.288 116 HB3 LEU 13 HB1 LEU 13 5.932 -0.563 7.603 117 HG LEU 13 HG LEU 13 8.000 -1.594 8.998 118 HD11 LEU 13 HD11 LEU 13 9.133 -0.364 6.479 119 HD12 LEU 13 HD12 LEU 13 9.453 -1.973 7.130 120 HD13 LEU 13 HD13 LEU 13 10.072 -0.546 7.960 121 HD21 LEU 13 HD21 LEU 13 7.012 1.058 8.320 122 HD22 LEU 13 HD22 LEU 13 8.741 1.083 8.667 123 HD23 LEU 13 HD23 LEU 13 7.610 0.454 9.866 Start of MODEL 9 1 H1 PHE 1 HT1 PHE 1 11.591 12.186 1.446 2 H2 PHE 1 HT2 PHE 1 12.946 11.161 1.411 3 H3 PHE 1 HT3 PHE 1 11.587 10.744 2.340 4 HA PHE 1 HA PHE 1 10.379 10.035 0.548 5 HB2 PHE 1 HB2 PHE 1 11.703 12.427 -0.514 6 HB3 PHE 1 HB1 PHE 1 11.491 11.171 -1.732 7 HD1 PHE 1 HD1 PHE 1 9.519 12.555 1.155 8 HD2 PHE 1 HD2 PHE 1 9.522 11.316 -2.957 9 HE1 PHE 1 HE1 PHE 1 7.114 13.136 0.979 10 HE2 PHE 1 HE2 PHE 1 7.118 11.896 -3.134 11 HZ PHE 1 HZ PHE 1 5.914 12.807 -1.167 12 H VAL 2 HN VAL 2 11.008 7.940 0.192 13 HA VAL 2 HA VAL 2 13.556 7.448 -1.278 14 HB VAL 2 HB VAL 2 13.488 5.448 0.631 15 HG11 VAL 2 HG11 VAL 2 15.301 7.183 -0.242 16 HG12 VAL 2 HG12 VAL 2 15.509 6.364 1.306 17 HG13 VAL 2 HG13 VAL 2 14.894 8.016 1.259 18 HG21 VAL 2 HG21 VAL 2 11.631 6.728 1.755 19 HG22 VAL 2 HG22 VAL 2 12.764 8.058 1.993 20 HG23 VAL 2 HG23 VAL 2 13.056 6.502 2.769 21 H GLN 3 HN GLN 3 12.738 6.414 -3.077 22 HA GLN 3 HA GLN 3 10.450 4.544 -2.801 23 HB2 GLN 3 HB2 GLN 3 10.359 4.739 -5.197 24 HB3 GLN 3 HB1 GLN 3 10.715 6.354 -4.585 25 HG2 GLN 3 HG2 GLN 3 13.139 5.933 -4.977 26 HG3 GLN 3 HG1 GLN 3 12.731 4.363 -5.670 27 HE21 GLN 3 HE21 GLN 3 12.980 7.755 -6.349 28 HE22 GLN 3 HE22 GLN 3 12.350 7.703 -7.924 29 H TRP 4 HN TRP 4 13.885 4.568 -3.700 30 HA TRP 4 HA TRP 4 13.994 1.759 -4.427 31 HB2 TRP 4 HB2 TRP 4 15.560 4.019 -4.686 32 HB3 TRP 4 HB1 TRP 4 16.450 3.079 -3.488 33 HD1 TRP 4 HD1 TRP 4 16.979 0.462 -4.206 34 HE1 TRP 4 HE1 TRP 4 17.585 -0.486 -6.526 35 HE3 TRP 4 HE3 TRP 4 15.297 4.260 -7.175 36 HZ2 TRP 4 HZ2 TRP 4 17.382 0.269 -9.278 37 HZ3 TRP 4 HZ3 TRP 4 15.516 4.121 -9.639 38 HH2 TRP 4 HH2 TRP 4 16.555 2.132 -10.694 39 H PHE 5 HN PHE 5 14.696 3.634 -1.493 40 HA PHE 5 HA PHE 5 15.706 1.361 0.020 41 HB2 PHE 5 HB2 PHE 5 15.936 4.020 0.211 42 HB3 PHE 5 HB1 PHE 5 14.553 3.818 1.285 43 HD1 PHE 5 HD1 PHE 5 17.571 1.688 0.626 44 HD2 PHE 5 HD2 PHE 5 15.291 3.921 3.501 45 HE1 PHE 5 HE1 PHE 5 19.088 0.916 2.429 46 HE2 PHE 5 HE2 PHE 5 16.807 3.148 5.304 47 HZ PHE 5 HZ PHE 5 18.707 1.646 4.769 48 H SER 6 HN SER 6 12.551 2.631 -0.718 49 HA SER 6 HA SER 6 11.225 1.362 1.584 50 HB2 SER 6 HB2 SER 6 9.203 2.247 0.419 51 HB3 SER 6 HB1 SER 6 10.445 3.484 0.619 52 HG SER 6 HG SER 6 10.057 1.908 -1.705 53 H LYS 7 HN LYS 7 12.041 0.557 -1.716 54 HA LYS 7 HA LYS 7 10.088 -1.462 -2.245 55 HB2 LYS 7 HB2 LYS 7 12.870 -0.783 -3.154 56 HB3 LYS 7 HB1 LYS 7 12.122 -2.281 -3.711 57 HG2 LYS 7 HG2 LYS 7 10.082 -0.491 -4.077 58 HG3 LYS 7 HG1 LYS 7 11.488 0.517 -4.415 59 HD2 LYS 7 HD2 LYS 7 12.302 -1.395 -5.920 60 HD3 LYS 7 HD1 LYS 7 10.676 -2.061 -5.769 61 HE2 LYS 7 HE2 LYS 7 9.693 -0.242 -6.904 62 HE3 LYS 7 HE1 LYS 7 11.083 0.817 -6.598 63 HZ1 LYS 7 HZ1 LYS 7 12.439 -0.693 -7.957 64 HZ2 LYS 7 HZ2 LYS 7 11.165 -0.020 -8.858 65 HZ3 LYS 7 HZ3 LYS 7 11.064 -1.623 -8.304 66 H PHE 8 HN PHE 8 12.797 -1.421 -0.086 67 HA PHE 8 HA PHE 8 12.649 -4.402 0.204 68 HB2 PHE 8 HB2 PHE 8 14.777 -2.604 -0.237 69 HB3 PHE 8 HB1 PHE 8 14.919 -3.093 1.449 70 HD1 PHE 8 HD1 PHE 8 13.743 -5.841 1.299 71 HD2 PHE 8 HD2 PHE 8 16.520 -3.827 -1.286 72 HE1 PHE 8 HE1 PHE 8 14.665 -8.030 0.584 73 HE2 PHE 8 HE2 PHE 8 17.442 -6.015 -2.001 74 HZ PHE 8 HZ PHE 8 16.514 -8.117 -1.067 75 H LEU 9 HN LEU 9 12.770 -1.299 1.920 76 HA LEU 9 HA LEU 9 12.356 -2.601 4.540 77 HB2 LEU 9 HB2 LEU 9 12.404 0.331 3.773 78 HB3 LEU 9 HB1 LEU 9 12.714 -0.360 5.364 79 HG LEU 9 HG LEU 9 14.405 -0.806 2.888 80 HD11 LEU 9 HD11 LEU 9 16.062 0.568 3.997 81 HD12 LEU 9 HD12 LEU 9 15.061 0.684 5.445 82 HD13 LEU 9 HD13 LEU 9 14.549 1.474 3.953 83 HD21 LEU 9 HD21 LEU 9 14.423 -1.945 5.667 84 HD22 LEU 9 HD22 LEU 9 15.951 -1.728 4.813 85 HD23 LEU 9 HD23 LEU 9 14.698 -2.762 4.128 86 H GLY 10 HN GLY 10 10.604 -0.437 2.304 87 HA2 GLY 10 HA2 GLY 10 8.283 -0.033 3.881 88 HA3 GLY 10 HA1 GLY 10 8.306 0.011 2.118 89 H ARG 11 HN ARG 11 9.371 -2.811 2.082 90 HA ARG 11 HA ARG 11 6.820 -4.178 1.925 91 HB2 ARG 11 HB2 ARG 11 9.625 -5.329 1.967 92 HB3 ARG 11 HB1 ARG 11 8.200 -6.026 1.199 93 HG2 ARG 11 HG2 ARG 11 9.786 -3.597 0.369 94 HG3 ARG 11 HG1 ARG 11 9.360 -5.012 -0.591 95 HD2 ARG 11 HD2 ARG 11 7.486 -2.818 0.358 96 HD3 ARG 11 HD1 ARG 11 7.897 -3.234 -1.317 97 HE ARG 11 HE ARG 11 6.956 -5.617 -0.279 98 HH11 ARG 11 HH11 ARG 11 4.799 -6.250 -0.320 99 HH12 ARG 11 HH12 ARG 11 3.553 -5.049 -0.392 100 HH21 ARG 11 HH21 ARG 11 5.739 -2.365 -0.412 101 HH22 ARG 11 HH22 ARG 11 4.085 -2.865 -0.444 102 H ILE 12 HN ILE 12 9.051 -3.596 4.488 103 HA ILE 12 HA ILE 12 7.788 -5.777 6.119 104 HB ILE 12 HB ILE 12 10.285 -4.709 7.152 105 HG12 ILE 12 HG12 ILE 12 10.260 -5.714 4.294 106 HG13 ILE 12 HG11 ILE 12 10.859 -4.159 4.869 107 HG21 ILE 12 HG21 ILE 12 10.894 -7.061 7.165 108 HG22 ILE 12 HG22 ILE 12 9.599 -7.441 6.031 109 HG23 ILE 12 HG23 ILE 12 9.211 -6.917 7.669 110 HD11 ILE 12 HD11 ILE 12 12.557 -5.379 6.245 111 HD12 ILE 12 HD12 ILE 12 12.753 -5.647 4.513 112 HD13 ILE 12 HD13 ILE 12 12.007 -6.889 5.519 113 H LEU 13 HN LEU 13 8.567 -2.369 5.881 114 HA LEU 13 HA LEU 13 7.966 -1.773 8.679 115 HB2 LEU 13 HB2 LEU 13 8.864 -0.447 6.177 116 HB3 LEU 13 HB1 LEU 13 8.085 0.575 7.369 117 HG LEU 13 HG LEU 13 9.744 -0.849 8.967 118 HD11 LEU 13 HD11 LEU 13 10.838 -2.106 7.264 119 HD12 LEU 13 HD12 LEU 13 11.971 -0.823 7.693 120 HD13 LEU 13 HD13 LEU 13 11.002 -0.691 6.225 121 HD21 LEU 13 HD21 LEU 13 11.129 1.120 9.043 122 HD22 LEU 13 HD22 LEU 13 9.483 1.661 8.714 123 HD23 LEU 13 HD23 LEU 13 10.661 1.578 7.405 Start of MODEL 10 1 H1 PHE 1 HT1 PHE 1 10.613 10.417 1.879 2 H2 PHE 1 HT2 PHE 1 11.646 11.728 1.563 3 H3 PHE 1 HT3 PHE 1 12.283 10.161 1.724 4 HA PHE 1 HA PHE 1 10.286 10.233 -0.310 5 HB2 PHE 1 HB2 PHE 1 12.572 12.214 -0.311 6 HB3 PHE 1 HB1 PHE 1 11.760 11.710 -1.793 7 HD1 PHE 1 HD1 PHE 1 9.047 11.689 -1.512 8 HD2 PHE 1 HD2 PHE 1 11.794 14.178 0.660 9 HE1 PHE 1 HE1 PHE 1 7.225 13.310 -1.065 10 HE2 PHE 1 HE2 PHE 1 9.971 15.798 1.108 11 HZ PHE 1 HZ PHE 1 7.687 15.365 0.246 12 H VAL 2 HN VAL 2 11.101 7.970 0.132 13 HA VAL 2 HA VAL 2 13.544 7.430 -1.509 14 HB VAL 2 HB VAL 2 13.340 5.552 0.639 15 HG11 VAL 2 HG11 VAL 2 15.238 7.692 -0.274 16 HG12 VAL 2 HG12 VAL 2 15.476 5.946 -0.208 17 HG13 VAL 2 HG13 VAL 2 15.517 6.897 1.276 18 HG21 VAL 2 HG21 VAL 2 13.286 8.456 1.519 19 HG22 VAL 2 HG22 VAL 2 13.550 7.065 2.570 20 HG23 VAL 2 HG23 VAL 2 11.990 7.288 1.780 21 H GLN 3 HN GLN 3 12.764 6.217 -3.192 22 HA GLN 3 HA GLN 3 10.469 4.375 -2.730 23 HB2 GLN 3 HB2 GLN 3 10.051 4.686 -4.989 24 HB3 GLN 3 HB1 GLN 3 10.919 6.184 -4.649 25 HG2 GLN 3 HG2 GLN 3 13.047 5.017 -5.314 26 HG3 GLN 3 HG1 GLN 3 12.072 3.636 -5.816 27 HE21 GLN 3 HE21 GLN 3 10.177 4.322 -7.401 28 HE22 GLN 3 HE22 GLN 3 10.591 5.455 -8.595 29 H TRP 4 HN TRP 4 13.880 4.395 -3.669 30 HA TRP 4 HA TRP 4 13.966 1.552 -4.336 31 HB2 TRP 4 HB2 TRP 4 15.584 3.891 -4.545 32 HB3 TRP 4 HB1 TRP 4 16.518 2.687 -3.658 33 HD1 TRP 4 HD1 TRP 4 15.106 3.465 -7.067 34 HE1 TRP 4 HE1 TRP 4 15.888 1.673 -8.748 35 HE3 TRP 4 HE3 TRP 4 17.184 0.087 -3.852 36 HZ2 TRP 4 HZ2 TRP 4 17.220 -0.861 -8.730 37 HZ3 TRP 4 HZ3 TRP 4 18.200 -2.005 -4.707 38 HH2 TRP 4 HH2 TRP 4 18.222 -2.483 -7.140 39 H PHE 5 HN PHE 5 14.781 3.561 -1.520 40 HA PHE 5 HA PHE 5 15.874 1.354 0.041 41 HB2 PHE 5 HB2 PHE 5 16.311 3.895 0.177 42 HB3 PHE 5 HB1 PHE 5 14.780 3.988 1.047 43 HD1 PHE 5 HD1 PHE 5 15.086 4.140 3.351 44 HD2 PHE 5 HD2 PHE 5 17.686 1.606 1.055 45 HE1 PHE 5 HE1 PHE 5 16.230 3.429 5.433 46 HE2 PHE 5 HE2 PHE 5 18.830 0.895 3.137 47 HZ PHE 5 HZ PHE 5 18.102 1.806 5.325 48 H SER 6 HN SER 6 12.699 2.799 -0.426 49 HA SER 6 HA SER 6 11.499 1.469 1.900 50 HB2 SER 6 HB2 SER 6 10.601 3.175 -0.414 51 HB3 SER 6 HB1 SER 6 9.405 2.373 0.605 52 HG SER 6 HG SER 6 9.708 3.947 1.934 53 H LYS 7 HN LYS 7 11.920 0.844 -1.526 54 HA LYS 7 HA LYS 7 9.896 -1.093 -1.981 55 HB2 LYS 7 HB2 LYS 7 12.506 -0.263 -3.096 56 HB3 LYS 7 HB1 LYS 7 12.006 -1.902 -3.514 57 HG2 LYS 7 HG2 LYS 7 9.754 -0.109 -3.729 58 HG3 LYS 7 HG1 LYS 7 11.103 0.515 -4.679 59 HD2 LYS 7 HD2 LYS 7 10.877 -1.118 -6.222 60 HD3 LYS 7 HD1 LYS 7 10.814 -2.370 -4.982 61 HE2 LYS 7 HE2 LYS 7 8.528 -2.443 -5.021 62 HE3 LYS 7 HE1 LYS 7 8.387 -0.679 -5.141 63 HZ1 LYS 7 HZ1 LYS 7 9.556 -2.153 -7.394 64 HZ2 LYS 7 HZ2 LYS 7 8.647 -0.718 -7.401 65 HZ3 LYS 7 HZ3 LYS 7 7.873 -2.216 -7.198 66 H PHE 8 HN PHE 8 12.808 -1.291 -0.089 67 HA PHE 8 HA PHE 8 12.558 -4.273 0.054 68 HB2 PHE 8 HB2 PHE 8 14.704 -2.499 -0.361 69 HB3 PHE 8 HB1 PHE 8 14.903 -3.085 1.288 70 HD1 PHE 8 HD1 PHE 8 15.123 -5.514 1.747 71 HD2 PHE 8 HD2 PHE 8 14.926 -3.975 -2.259 72 HE1 PHE 8 HE1 PHE 8 15.976 -7.673 0.875 73 HE2 PHE 8 HE2 PHE 8 15.778 -6.136 -3.130 74 HZ PHE 8 HZ PHE 8 16.303 -7.984 -1.563 75 H LEU 9 HN LEU 9 12.709 -1.283 1.928 76 HA LEU 9 HA LEU 9 12.378 -2.760 4.477 77 HB2 LEU 9 HB2 LEU 9 12.574 0.212 3.907 78 HB3 LEU 9 HB1 LEU 9 12.865 -0.595 5.445 79 HG LEU 9 HG LEU 9 14.493 -0.989 2.918 80 HD11 LEU 9 HD11 LEU 9 15.938 -0.009 5.215 81 HD12 LEU 9 HD12 LEU 9 14.574 1.057 4.873 82 HD13 LEU 9 HD13 LEU 9 15.770 0.727 3.620 83 HD21 LEU 9 HD21 LEU 9 15.952 -1.998 4.996 84 HD22 LEU 9 HD22 LEU 9 14.924 -2.977 3.948 85 HD23 LEU 9 HD23 LEU 9 14.315 -2.412 5.503 86 H GLY 10 HN GLY 10 10.734 -0.160 2.635 87 HA2 GLY 10 HA2 GLY 10 8.467 0.126 4.281 88 HA3 GLY 10 HA1 GLY 10 8.458 0.414 2.542 89 H ARG 11 HN ARG 11 9.347 -2.472 2.145 90 HA ARG 11 HA ARG 11 6.684 -3.604 1.877 91 HB2 ARG 11 HB2 ARG 11 7.776 -5.049 0.492 92 HB3 ARG 11 HB1 ARG 11 9.056 -3.846 0.613 93 HG2 ARG 11 HG2 ARG 11 10.082 -5.109 2.454 94 HG3 ARG 11 HG1 ARG 11 8.801 -6.321 2.345 95 HD2 ARG 11 HD2 ARG 11 9.871 -5.873 -0.275 96 HD3 ARG 11 HD1 ARG 11 11.208 -6.230 0.838 97 HE ARG 11 HE ARG 11 9.109 -8.086 0.056 98 HH11 ARG 11 HH11 ARG 11 9.091 -10.095 1.060 99 HH12 ARG 11 HH12 ARG 11 9.986 -10.334 2.522 100 HH21 ARG 11 HH21 ARG 11 11.185 -7.089 2.659 101 HH22 ARG 11 HH22 ARG 11 11.163 -8.643 3.419 102 H ILE 12 HN ILE 12 9.169 -3.706 4.311 103 HA ILE 12 HA ILE 12 7.830 -6.013 5.674 104 HB ILE 12 HB ILE 12 10.353 -4.771 6.672 105 HG12 ILE 12 HG12 ILE 12 10.105 -6.219 4.033 106 HG13 ILE 12 HG11 ILE 12 10.852 -4.651 4.337 107 HG21 ILE 12 HG21 ILE 12 9.152 -6.886 7.531 108 HG22 ILE 12 HG22 ILE 12 10.887 -7.010 7.238 109 HG23 ILE 12 HG23 ILE 12 9.745 -7.664 6.064 110 HD11 ILE 12 HD11 ILE 12 11.861 -7.390 5.107 111 HD12 ILE 12 HD12 ILE 12 12.449 -5.935 5.912 112 HD13 ILE 12 HD13 ILE 12 12.686 -6.139 4.176 113 H LEU 13 HN LEU 13 8.652 -2.612 5.937 114 HA LEU 13 HA LEU 13 7.882 -2.340 8.729 115 HB2 LEU 13 HB2 LEU 13 8.763 -0.661 6.410 116 HB3 LEU 13 HB1 LEU 13 8.128 0.124 7.840 117 HG LEU 13 HG LEU 13 9.811 -1.570 9.037 118 HD11 LEU 13 HD11 LEU 13 11.094 -1.024 6.344 119 HD12 LEU 13 HD12 LEU 13 10.483 -2.593 6.870 120 HD13 LEU 13 HD13 LEU 13 11.849 -1.854 7.706 121 HD21 LEU 13 HD21 LEU 13 10.074 0.717 9.497 122 HD22 LEU 13 HD22 LEU 13 10.309 1.125 7.797 123 HD23 LEU 13 HD23 LEU 13 11.592 0.314 8.694 Start of MODEL 11 1 H1 PHE 1 HT1 PHE 1 12.894 12.155 0.672 2 H2 PHE 1 HT2 PHE 1 12.535 10.874 1.728 3 H3 PHE 1 HT3 PHE 1 11.387 12.095 1.447 4 HA PHE 1 HA PHE 1 10.591 10.396 0.105 5 HB2 PHE 1 HB2 PHE 1 12.041 12.639 -1.013 6 HB3 PHE 1 HB1 PHE 1 12.059 11.285 -2.144 7 HD1 PHE 1 HD1 PHE 1 9.771 10.060 -2.516 8 HD2 PHE 1 HD2 PHE 1 10.152 14.020 -0.894 9 HE1 PHE 1 HE1 PHE 1 7.415 10.536 -3.123 10 HE2 PHE 1 HE2 PHE 1 7.795 14.495 -1.502 11 HZ PHE 1 HZ PHE 1 6.427 12.754 -2.618 12 H VAL 2 HN VAL 2 11.048 8.241 -0.126 13 HA VAL 2 HA VAL 2 13.691 7.448 -1.261 14 HB VAL 2 HB VAL 2 13.171 5.569 0.720 15 HG11 VAL 2 HG11 VAL 2 15.077 7.688 0.143 16 HG12 VAL 2 HG12 VAL 2 15.355 6.111 0.883 17 HG13 VAL 2 HG13 VAL 2 14.863 7.480 1.881 18 HG21 VAL 2 HG21 VAL 2 12.637 6.798 2.731 19 HG22 VAL 2 HG22 VAL 2 11.381 7.151 1.544 20 HG23 VAL 2 HG23 VAL 2 12.654 8.330 1.858 21 H GLN 3 HN GLN 3 13.014 6.385 -3.098 22 HA GLN 3 HA GLN 3 10.570 4.685 -2.980 23 HB2 GLN 3 HB2 GLN 3 10.607 4.893 -5.360 24 HB3 GLN 3 HB1 GLN 3 11.078 6.479 -4.748 25 HG2 GLN 3 HG2 GLN 3 13.497 5.699 -4.956 26 HG3 GLN 3 HG1 GLN 3 12.880 4.311 -5.854 27 HE21 GLN 3 HE21 GLN 3 11.262 5.041 -7.722 28 HE22 GLN 3 HE22 GLN 3 11.763 6.382 -8.633 29 H TRP 4 HN TRP 4 14.061 4.525 -3.505 30 HA TRP 4 HA TRP 4 14.036 1.681 -4.233 31 HB2 TRP 4 HB2 TRP 4 15.795 3.940 -4.287 32 HB3 TRP 4 HB1 TRP 4 16.598 2.645 -3.400 33 HD1 TRP 4 HD1 TRP 4 16.012 3.814 -6.811 34 HE1 TRP 4 HE1 TRP 4 16.550 1.970 -8.531 35 HE3 TRP 4 HE3 TRP 4 16.299 -0.231 -3.706 36 HZ2 TRP 4 HZ2 TRP 4 17.036 -0.848 -8.582 37 HZ3 TRP 4 HZ3 TRP 4 16.802 -2.481 -4.617 38 HH2 TRP 4 HH2 TRP 4 17.170 -2.794 -7.049 39 H PHE 5 HN PHE 5 14.546 3.640 -1.343 40 HA PHE 5 HA PHE 5 15.556 1.427 0.279 41 HB2 PHE 5 HB2 PHE 5 15.727 4.115 0.380 42 HB3 PHE 5 HB1 PHE 5 14.357 3.885 1.466 43 HD1 PHE 5 HD1 PHE 5 15.020 3.915 3.700 44 HD2 PHE 5 HD2 PHE 5 17.519 1.971 0.797 45 HE1 PHE 5 HE1 PHE 5 16.573 3.217 5.504 46 HE2 PHE 5 HE2 PHE 5 19.071 1.273 2.599 47 HZ PHE 5 HZ PHE 5 18.597 1.895 4.953 48 H SER 6 HN SER 6 12.428 2.705 -0.586 49 HA SER 6 HA SER 6 11.045 1.421 1.686 50 HB2 SER 6 HB2 SER 6 10.590 3.618 0.152 51 HB3 SER 6 HB1 SER 6 9.574 2.444 -0.684 52 HG SER 6 HG SER 6 8.245 3.040 0.858 53 H LYS 7 HN LYS 7 11.905 0.699 -1.615 54 HA LYS 7 HA LYS 7 9.907 -1.285 -2.196 55 HB2 LYS 7 HB2 LYS 7 12.680 -0.595 -3.150 56 HB3 LYS 7 HB1 LYS 7 11.847 -2.011 -3.792 57 HG2 LYS 7 HG2 LYS 7 10.108 0.331 -3.723 58 HG3 LYS 7 HG1 LYS 7 11.553 0.614 -4.694 59 HD2 LYS 7 HD2 LYS 7 11.107 -1.348 -6.040 60 HD3 LYS 7 HD1 LYS 7 9.783 -1.829 -4.981 61 HE2 LYS 7 HE2 LYS 7 8.680 0.411 -5.576 62 HE3 LYS 7 HE1 LYS 7 9.891 0.543 -6.863 63 HZ1 LYS 7 HZ1 LYS 7 9.069 -2.031 -7.043 64 HZ2 LYS 7 HZ2 LYS 7 8.505 -0.765 -8.025 65 HZ3 LYS 7 HZ3 LYS 7 7.626 -1.233 -6.647 66 H PHE 8 HN PHE 8 12.737 -1.327 -0.174 67 HA PHE 8 HA PHE 8 12.598 -4.317 0.004 68 HB2 PHE 8 HB2 PHE 8 14.699 -2.476 -0.410 69 HB3 PHE 8 HB1 PHE 8 14.899 -3.062 1.239 70 HD1 PHE 8 HD1 PHE 8 14.679 -5.651 1.582 71 HD2 PHE 8 HD2 PHE 8 15.468 -3.775 -2.200 72 HE1 PHE 8 HE1 PHE 8 15.586 -7.789 0.711 73 HE2 PHE 8 HE2 PHE 8 16.374 -5.914 -3.071 74 HZ PHE 8 HZ PHE 8 16.434 -7.920 -1.615 75 H LEU 9 HN LEU 9 12.688 -1.287 1.833 76 HA LEU 9 HA LEU 9 12.404 -2.695 4.416 77 HB2 LEU 9 HB2 LEU 9 12.345 0.259 3.732 78 HB3 LEU 9 HB1 LEU 9 12.680 -0.457 5.307 79 HG LEU 9 HG LEU 9 14.376 -0.726 2.811 80 HD11 LEU 9 HD11 LEU 9 14.438 1.440 4.176 81 HD12 LEU 9 HD12 LEU 9 15.981 0.611 3.968 82 HD13 LEU 9 HD13 LEU 9 15.103 0.472 5.492 83 HD21 LEU 9 HD21 LEU 9 15.824 -1.709 4.946 84 HD22 LEU 9 HD22 LEU 9 14.986 -2.699 3.750 85 HD23 LEU 9 HD23 LEU 9 14.199 -2.308 5.280 86 H GLY 10 HN GLY 10 10.541 -0.384 2.416 87 HA2 GLY 10 HA2 GLY 10 8.255 -0.130 4.017 88 HA3 GLY 10 HA1 GLY 10 8.215 -0.074 2.255 89 H ARG 11 HN ARG 11 9.345 -2.875 2.163 90 HA ARG 11 HA ARG 11 6.818 -4.284 2.087 91 HB2 ARG 11 HB2 ARG 11 8.068 -5.862 0.980 92 HB3 ARG 11 HB1 ARG 11 9.147 -4.478 0.811 93 HG2 ARG 11 HG2 ARG 11 10.331 -5.207 2.884 94 HG3 ARG 11 HG1 ARG 11 9.315 -6.651 2.914 95 HD2 ARG 11 HD2 ARG 11 10.422 -6.262 0.272 96 HD3 ARG 11 HD1 ARG 11 11.721 -6.327 1.480 97 HE ARG 11 HE ARG 11 9.905 -8.516 0.790 98 HH11 ARG 11 HH11 ARG 11 10.202 -10.445 1.900 99 HH12 ARG 11 HH12 ARG 11 11.163 -10.469 3.342 100 HH21 ARG 11 HH21 ARG 11 11.890 -7.085 3.258 101 HH22 ARG 11 HH22 ARG 11 12.111 -8.578 4.103 102 H ILE 12 HN ILE 12 9.245 -3.807 4.530 103 HA ILE 12 HA ILE 12 8.115 -6.044 6.172 104 HB ILE 12 HB ILE 12 10.495 -4.470 7.032 105 HG12 ILE 12 HG12 ILE 12 10.456 -6.239 4.580 106 HG13 ILE 12 HG11 ILE 12 11.010 -4.570 4.688 107 HG21 ILE 12 HG21 ILE 12 9.642 -6.468 8.241 108 HG22 ILE 12 HG22 ILE 12 11.289 -6.701 7.654 109 HG23 ILE 12 HG23 ILE 12 9.936 -7.441 6.799 110 HD11 ILE 12 HD11 ILE 12 12.627 -5.602 6.536 111 HD12 ILE 12 HD12 ILE 12 13.047 -5.660 4.824 112 HD13 ILE 12 HD13 ILE 12 12.353 -7.078 5.610 113 H LEU 13 HN LEU 13 8.651 -2.569 6.024 114 HA LEU 13 HA LEU 13 7.840 -2.005 8.747 115 HB2 LEU 13 HB2 LEU 13 8.463 -0.564 6.192 116 HB3 LEU 13 HB1 LEU 13 7.768 0.323 7.534 117 HG LEU 13 HG LEU 13 9.667 -0.956 8.885 118 HD11 LEU 13 HD11 LEU 13 11.686 -1.249 7.541 119 HD12 LEU 13 HD12 LEU 13 10.834 -0.695 6.100 120 HD13 LEU 13 HD13 LEU 13 10.385 -2.224 6.855 121 HD21 LEU 13 HD21 LEU 13 10.453 1.149 9.107 122 HD22 LEU 13 HD22 LEU 13 9.315 1.626 7.848 123 HD23 LEU 13 HD23 LEU 13 10.970 1.188 7.421 Start of MODEL 12 1 H1 PHE 1 HT1 PHE 1 9.943 11.255 0.437 2 H2 PHE 1 HT2 PHE 1 10.172 9.681 -0.159 3 H3 PHE 1 HT3 PHE 1 10.817 11.012 -0.995 4 HA PHE 1 HA PHE 1 12.390 11.446 0.745 5 HB2 PHE 1 HB2 PHE 1 10.371 10.410 2.274 6 HB3 PHE 1 HB1 PHE 1 11.530 9.081 2.305 7 HD1 PHE 1 HD1 PHE 1 12.979 9.118 4.120 8 HD2 PHE 1 HD2 PHE 1 11.693 12.836 2.398 9 HE1 PHE 1 HE1 PHE 1 14.356 10.358 5.769 10 HE2 PHE 1 HE2 PHE 1 13.070 14.077 4.047 11 HZ PHE 1 HZ PHE 1 14.401 12.837 5.732 12 H VAL 2 HN VAL 2 11.420 7.995 0.601 13 HA VAL 2 HA VAL 2 13.913 7.437 -0.959 14 HB VAL 2 HB VAL 2 13.406 5.296 0.845 15 HG11 VAL 2 HG11 VAL 2 15.625 5.760 1.586 16 HG12 VAL 2 HG12 VAL 2 15.492 7.465 1.152 17 HG13 VAL 2 HG13 VAL 2 15.586 6.237 -0.112 18 HG21 VAL 2 HG21 VAL 2 13.437 8.008 2.205 19 HG22 VAL 2 HG22 VAL 2 13.491 6.441 3.013 20 HG23 VAL 2 HG23 VAL 2 12.043 6.929 2.132 21 H GLN 3 HN GLN 3 13.211 6.482 -2.837 22 HA GLN 3 HA GLN 3 10.728 4.817 -2.749 23 HB2 GLN 3 HB2 GLN 3 10.617 5.309 -5.131 24 HB3 GLN 3 HB1 GLN 3 10.902 6.815 -4.260 25 HG2 GLN 3 HG2 GLN 3 13.465 5.948 -4.691 26 HG3 GLN 3 HG1 GLN 3 12.654 5.369 -6.145 27 HE21 GLN 3 HE21 GLN 3 11.579 7.012 -7.522 28 HE22 GLN 3 HE22 GLN 3 12.023 8.647 -7.412 29 H TRP 4 HN TRP 4 14.168 4.730 -3.371 30 HA TRP 4 HA TRP 4 14.100 2.093 -4.678 31 HB2 TRP 4 HB2 TRP 4 15.966 4.278 -4.120 32 HB3 TRP 4 HB1 TRP 4 16.700 2.696 -3.864 33 HD1 TRP 4 HD1 TRP 4 16.626 0.966 -5.959 34 HE1 TRP 4 HE1 TRP 4 16.624 1.427 -8.496 35 HE3 TRP 4 HE3 TRP 4 15.234 5.881 -5.962 36 HZ2 TRP 4 HZ2 TRP 4 16.102 3.594 -10.289 37 HZ3 TRP 4 HZ3 TRP 4 14.993 7.116 -8.096 38 HH2 TRP 4 HH2 TRP 4 15.425 5.981 -10.257 39 H PHE 5 HN PHE 5 14.661 3.456 -1.476 40 HA PHE 5 HA PHE 5 15.579 0.902 -0.338 41 HB2 PHE 5 HB2 PHE 5 16.328 3.244 0.318 42 HB3 PHE 5 HB1 PHE 5 14.731 3.472 1.031 43 HD1 PHE 5 HD1 PHE 5 14.729 3.224 3.343 44 HD2 PHE 5 HD2 PHE 5 17.252 0.681 0.971 45 HE1 PHE 5 HE1 PHE 5 15.480 2.054 5.396 46 HE2 PHE 5 HE2 PHE 5 18.003 -0.488 3.025 47 HZ PHE 5 HZ PHE 5 17.118 0.198 5.236 48 H SER 6 HN SER 6 12.613 2.832 -0.492 49 HA SER 6 HA SER 6 11.090 1.492 1.512 50 HB2 SER 6 HB2 SER 6 10.236 3.502 0.623 51 HB3 SER 6 HB1 SER 6 10.503 2.983 -1.041 52 HG SER 6 HG SER 6 8.286 2.826 0.264 53 H LYS 7 HN LYS 7 11.855 0.638 -1.822 54 HA LYS 7 HA LYS 7 9.929 -1.392 -2.295 55 HB2 LYS 7 HB2 LYS 7 12.775 -0.880 -3.155 56 HB3 LYS 7 HB1 LYS 7 11.865 -2.253 -3.784 57 HG2 LYS 7 HG2 LYS 7 10.071 -0.164 -4.047 58 HG3 LYS 7 HG1 LYS 7 11.615 0.603 -4.417 59 HD2 LYS 7 HD2 LYS 7 11.866 -0.564 -6.355 60 HD3 LYS 7 HD1 LYS 7 11.250 -2.056 -5.645 61 HE2 LYS 7 HE2 LYS 7 9.287 0.161 -6.061 62 HE3 LYS 7 HE1 LYS 7 9.844 -0.721 -7.495 63 HZ1 LYS 7 HZ1 LYS 7 7.910 -1.762 -6.315 64 HZ2 LYS 7 HZ2 LYS 7 8.937 -2.047 -4.993 65 HZ3 LYS 7 HZ3 LYS 7 9.254 -2.781 -6.492 66 H PHE 8 HN PHE 8 12.651 -1.337 -0.143 67 HA PHE 8 HA PHE 8 12.413 -4.297 0.289 68 HB2 PHE 8 HB2 PHE 8 14.587 -2.501 -0.241 69 HB3 PHE 8 HB1 PHE 8 14.793 -3.160 1.377 70 HD1 PHE 8 HD1 PHE 8 15.010 -3.831 -2.162 71 HD2 PHE 8 HD2 PHE 8 14.677 -5.688 1.696 72 HE1 PHE 8 HE1 PHE 8 15.782 -5.980 -3.129 73 HE2 PHE 8 HE2 PHE 8 15.450 -7.836 0.731 74 HZ PHE 8 HZ PHE 8 16.003 -7.983 -1.683 75 H LEU 9 HN LEU 9 12.420 -1.098 1.690 76 HA LEU 9 HA LEU 9 12.433 -2.017 4.473 77 HB2 LEU 9 HB2 LEU 9 13.507 0.007 4.175 78 HB3 LEU 9 HB1 LEU 9 12.488 0.473 2.833 79 HG LEU 9 HG LEU 9 10.669 0.976 4.320 80 HD11 LEU 9 HD11 LEU 9 11.609 0.916 6.897 81 HD12 LEU 9 HD12 LEU 9 12.350 -0.532 6.214 82 HD13 LEU 9 HD13 LEU 9 10.598 -0.338 6.180 83 HD21 LEU 9 HD21 LEU 9 11.519 2.967 5.195 84 HD22 LEU 9 HD22 LEU 9 12.745 2.552 3.995 85 HD23 LEU 9 HD23 LEU 9 13.028 2.210 5.702 86 H GLY 10 HN GLY 10 10.228 -0.229 2.319 87 HA2 GLY 10 HA2 GLY 10 7.981 -0.161 4.041 88 HA3 GLY 10 HA1 GLY 10 7.873 -0.121 2.281 89 H ARG 11 HN ARG 11 9.309 -2.770 2.151 90 HA ARG 11 HA ARG 11 6.984 -4.485 2.128 91 HB2 ARG 11 HB2 ARG 11 9.927 -5.213 2.102 92 HB3 ARG 11 HB1 ARG 11 8.599 -6.145 1.412 93 HG2 ARG 11 HG2 ARG 11 9.787 -3.553 0.439 94 HG3 ARG 11 HG1 ARG 11 9.512 -5.045 -0.459 95 HD2 ARG 11 HD2 ARG 11 7.412 -3.077 0.506 96 HD3 ARG 11 HD1 ARG 11 7.803 -3.500 -1.171 97 HE ARG 11 HE ARG 11 7.221 -5.945 -0.044 98 HH11 ARG 11 HH11 ARG 11 5.168 -6.849 0.097 99 HH12 ARG 11 HH12 ARG 11 3.774 -5.820 0.100 100 HH21 ARG 11 HH21 ARG 11 5.588 -2.879 -0.139 101 HH22 ARG 11 HH22 ARG 11 4.014 -3.587 -0.031 102 H ILE 12 HN ILE 12 9.168 -3.556 4.623 103 HA ILE 12 HA ILE 12 8.350 -5.913 6.285 104 HB ILE 12 HB ILE 12 10.574 -4.205 7.192 105 HG12 ILE 12 HG12 ILE 12 10.754 -5.690 4.555 106 HG13 ILE 12 HG11 ILE 12 10.999 -3.963 4.812 107 HG21 ILE 12 HG21 ILE 12 10.711 -7.127 6.508 108 HG22 ILE 12 HG22 ILE 12 9.764 -6.599 7.900 109 HG23 ILE 12 HG23 ILE 12 11.492 -6.257 7.828 110 HD11 ILE 12 HD11 ILE 12 12.939 -4.435 6.248 111 HD12 ILE 12 HD12 ILE 12 13.158 -5.150 4.650 112 HD13 ILE 12 HD13 ILE 12 12.697 -6.167 6.015 113 H LEU 13 HN LEU 13 8.469 -2.416 6.038 114 HA LEU 13 HA LEU 13 7.618 -1.974 8.805 115 HB2 LEU 13 HB2 LEU 13 8.464 -0.471 6.381 116 HB3 LEU 13 HB1 LEU 13 7.505 0.392 7.571 117 HG LEU 13 HG LEU 13 10.001 0.510 7.953 118 HD11 LEU 13 HD11 LEU 13 8.114 0.621 9.753 119 HD12 LEU 13 HD12 LEU 13 9.782 0.419 10.287 120 HD13 LEU 13 HD13 LEU 13 8.703 -0.973 10.222 121 HD21 LEU 13 HD21 LEU 13 10.241 -1.959 7.221 122 HD22 LEU 13 HD22 LEU 13 9.743 -2.350 8.868 123 HD23 LEU 13 HD23 LEU 13 11.213 -1.417 8.590 Start of MODEL 13 1 H1 PHE 1 HT1 PHE 1 12.579 11.877 0.955 2 H2 PHE 1 HT2 PHE 1 11.669 12.852 -0.097 3 H3 PHE 1 HT3 PHE 1 13.104 12.123 -0.638 4 HA PHE 1 HA PHE 1 10.697 10.602 0.226 5 HB2 PHE 1 HB2 PHE 1 11.024 12.257 -1.981 6 HB3 PHE 1 HB1 PHE 1 11.446 10.665 -2.609 7 HD1 PHE 1 HD1 PHE 1 9.821 8.785 -2.462 8 HD2 PHE 1 HD2 PHE 1 8.774 12.786 -1.303 9 HE1 PHE 1 HE1 PHE 1 7.417 8.179 -2.539 10 HE2 PHE 1 HE2 PHE 1 6.370 12.180 -1.380 11 HZ PHE 1 HZ PHE 1 5.692 9.876 -1.999 12 H VAL 2 HN VAL 2 10.906 8.324 -0.465 13 HA VAL 2 HA VAL 2 13.647 7.428 -1.205 14 HB VAL 2 HB VAL 2 12.819 5.723 0.865 15 HG11 VAL 2 HG11 VAL 2 14.752 6.619 2.021 16 HG12 VAL 2 HG12 VAL 2 14.689 8.102 1.069 17 HG13 VAL 2 HG13 VAL 2 15.120 6.576 0.297 18 HG21 VAL 2 HG21 VAL 2 12.301 7.221 2.717 19 HG22 VAL 2 HG22 VAL 2 11.119 7.472 1.432 20 HG23 VAL 2 HG23 VAL 2 12.433 8.626 1.659 21 H GLN 3 HN GLN 3 13.146 6.233 -3.014 22 HA GLN 3 HA GLN 3 10.705 4.508 -2.968 23 HB2 GLN 3 HB2 GLN 3 10.749 4.727 -5.314 24 HB3 GLN 3 HB1 GLN 3 11.350 6.293 -4.772 25 HG2 GLN 3 HG2 GLN 3 13.693 5.370 -4.983 26 HG3 GLN 3 HG1 GLN 3 12.993 3.936 -5.735 27 HE21 GLN 3 HE21 GLN 3 14.697 6.346 -6.804 28 HE22 GLN 3 HE22 GLN 3 13.854 6.818 -8.200 29 H TRP 4 HN TRP 4 14.218 4.445 -3.354 30 HA TRP 4 HA TRP 4 14.329 1.587 -3.997 31 HB2 TRP 4 HB2 TRP 4 16.035 3.924 -3.897 32 HB3 TRP 4 HB1 TRP 4 16.817 2.574 -3.075 33 HD1 TRP 4 HD1 TRP 4 16.664 0.161 -4.567 34 HE1 TRP 4 HE1 TRP 4 17.139 -0.132 -7.083 35 HE3 TRP 4 HE3 TRP 4 16.080 4.982 -6.138 36 HZ2 TRP 4 HZ2 TRP 4 17.256 1.470 -9.450 37 HZ3 TRP 4 HZ3 TRP 4 16.378 5.572 -8.526 38 HH2 TRP 4 HH2 TRP 4 16.965 3.823 -10.183 39 H PHE 5 HN PHE 5 14.563 3.617 -1.134 40 HA PHE 5 HA PHE 5 15.543 1.461 0.603 41 HB2 PHE 5 HB2 PHE 5 15.693 4.165 0.587 42 HB3 PHE 5 HB1 PHE 5 14.311 3.959 1.659 43 HD1 PHE 5 HD1 PHE 5 14.623 3.328 3.915 44 HD2 PHE 5 HD2 PHE 5 17.829 2.830 1.100 45 HE1 PHE 5 HE1 PHE 5 16.161 2.740 5.770 46 HE2 PHE 5 HE2 PHE 5 19.366 2.239 2.954 47 HZ PHE 5 HZ PHE 5 18.532 2.195 5.289 48 H SER 6 HN SER 6 12.453 2.784 -0.381 49 HA SER 6 HA SER 6 10.995 1.490 1.845 50 HB2 SER 6 HB2 SER 6 10.516 3.450 -0.324 51 HB3 SER 6 HB1 SER 6 9.131 2.439 0.086 52 HG SER 6 HG SER 6 9.090 4.193 1.432 53 H LYS 7 HN LYS 7 11.784 0.937 -1.522 54 HA LYS 7 HA LYS 7 9.776 -0.994 -2.180 55 HB2 LYS 7 HB2 LYS 7 12.490 -0.169 -3.115 56 HB3 LYS 7 HB1 LYS 7 11.844 -1.689 -3.730 57 HG2 LYS 7 HG2 LYS 7 9.955 0.598 -3.736 58 HG3 LYS 7 HG1 LYS 7 11.311 0.730 -4.856 59 HD2 LYS 7 HD2 LYS 7 10.758 -1.535 -5.740 60 HD3 LYS 7 HD1 LYS 7 9.354 -1.582 -4.672 61 HE2 LYS 7 HE2 LYS 7 8.142 -0.253 -6.067 62 HE3 LYS 7 HE1 LYS 7 9.491 0.881 -6.275 63 HZ1 LYS 7 HZ1 LYS 7 9.559 -1.828 -7.463 64 HZ2 LYS 7 HZ2 LYS 7 10.463 -0.456 -7.900 65 HZ3 LYS 7 HZ3 LYS 7 8.809 -0.546 -8.281 66 H PHE 8 HN PHE 8 12.462 -1.185 -0.032 67 HA PHE 8 HA PHE 8 12.346 -4.183 -0.074 68 HB2 PHE 8 HB2 PHE 8 14.462 -2.375 -0.398 69 HB3 PHE 8 HB1 PHE 8 14.620 -2.938 1.264 70 HD1 PHE 8 HD1 PHE 8 14.313 -5.548 1.606 71 HD2 PHE 8 HD2 PHE 8 15.369 -3.676 -2.114 72 HE1 PHE 8 HE1 PHE 8 15.259 -7.693 0.794 73 HE2 PHE 8 HE2 PHE 8 16.315 -5.820 -2.924 74 HZ PHE 8 HZ PHE 8 16.260 -7.828 -1.471 75 H LEU 9 HN LEU 9 12.758 -1.326 2.020 76 HA LEU 9 HA LEU 9 12.269 -2.867 4.468 77 HB2 LEU 9 HB2 LEU 9 12.373 0.125 3.972 78 HB3 LEU 9 HB1 LEU 9 12.625 -0.699 5.509 79 HG LEU 9 HG LEU 9 14.363 -0.970 3.041 80 HD11 LEU 9 HD11 LEU 9 15.707 0.620 3.932 81 HD12 LEU 9 HD12 LEU 9 15.560 -0.053 5.555 82 HD13 LEU 9 HD13 LEU 9 14.326 1.046 4.941 83 HD21 LEU 9 HD21 LEU 9 14.749 -3.012 3.995 84 HD22 LEU 9 HD22 LEU 9 14.126 -2.508 5.566 85 HD23 LEU 9 HD23 LEU 9 15.768 -2.076 5.088 86 H GLY 10 HN GLY 10 10.528 -0.404 2.548 87 HA2 GLY 10 HA2 GLY 10 8.220 -0.201 4.183 88 HA3 GLY 10 HA1 GLY 10 8.228 0.074 2.440 89 H ARG 11 HN ARG 11 9.319 -2.790 2.161 90 HA ARG 11 HA ARG 11 6.731 -4.087 1.813 91 HB2 ARG 11 HB2 ARG 11 9.540 -5.221 1.642 92 HB3 ARG 11 HB1 ARG 11 8.098 -5.840 0.838 93 HG2 ARG 11 HG2 ARG 11 9.463 -3.182 0.307 94 HG3 ARG 11 HG1 ARG 11 9.413 -4.573 -0.770 95 HD2 ARG 11 HD2 ARG 11 7.635 -3.396 -1.661 96 HD3 ARG 11 HD1 ARG 11 6.752 -4.223 -0.363 97 HE ARG 11 HE ARG 11 8.043 -1.747 0.507 98 HH11 ARG 11 HH11 ARG 11 6.675 -0.071 1.116 99 HH12 ARG 11 HH12 ARG 11 4.999 -0.129 0.685 100 HH21 ARG 11 HH21 ARG 11 5.230 -3.168 -0.959 101 HH22 ARG 11 HH22 ARG 11 4.189 -1.871 -0.484 102 H ILE 12 HN ILE 12 8.985 -3.835 4.395 103 HA ILE 12 HA ILE 12 7.730 -6.187 5.773 104 HB ILE 12 HB ILE 12 10.316 -5.387 6.807 105 HG12 ILE 12 HG12 ILE 12 10.173 -6.023 3.845 106 HG13 ILE 12 HG11 ILE 12 10.739 -4.514 4.562 107 HG21 ILE 12 HG21 ILE 12 10.816 -7.728 6.477 108 HG22 ILE 12 HG22 ILE 12 9.502 -7.894 5.312 109 HG23 ILE 12 HG23 ILE 12 9.140 -7.610 7.015 110 HD11 ILE 12 HD11 ILE 12 12.434 -5.979 5.846 111 HD12 ILE 12 HD12 ILE 12 12.726 -5.711 4.128 112 HD13 ILE 12 HD13 ILE 12 12.030 -7.237 4.677 113 H LEU 13 HN LEU 13 9.008 -2.903 6.059 114 HA LEU 13 HA LEU 13 8.561 -2.555 8.864 115 HB2 LEU 13 HB2 LEU 13 9.225 -1.013 6.422 116 HB3 LEU 13 HB1 LEU 13 8.568 -0.088 7.760 117 HG LEU 13 HG LEU 13 11.070 -0.289 7.819 118 HD11 LEU 13 HD11 LEU 13 10.973 -0.187 10.079 119 HD12 LEU 13 HD12 LEU 13 10.338 -1.827 10.201 120 HD13 LEU 13 HD13 LEU 13 9.244 -0.479 9.889 121 HD21 LEU 13 HD21 LEU 13 10.766 -3.126 8.697 122 HD22 LEU 13 HD22 LEU 13 12.147 -2.328 7.944 123 HD23 LEU 13 HD23 LEU 13 10.755 -2.793 6.965 Start of MODEL 14 1 H1 PHE 1 HT1 PHE 1 10.886 9.625 1.580 2 H2 PHE 1 HT2 PHE 1 9.936 9.652 0.172 3 H3 PHE 1 HT3 PHE 1 10.025 11.026 1.166 4 HA PHE 1 HA PHE 1 11.397 11.258 -0.857 5 HB2 PHE 1 HB2 PHE 1 12.163 11.436 1.977 6 HB3 PHE 1 HB1 PHE 1 13.543 11.441 0.877 7 HD1 PHE 1 HD1 PHE 1 13.659 13.136 -0.972 8 HD2 PHE 1 HD2 PHE 1 10.667 13.297 2.105 9 HE1 PHE 1 HE1 PHE 1 13.181 15.497 -1.561 10 HE2 PHE 1 HE2 PHE 1 10.190 15.657 1.518 11 HZ PHE 1 HZ PHE 1 11.446 16.758 -0.316 12 H VAL 2 HN VAL 2 11.216 8.189 0.019 13 HA VAL 2 HA VAL 2 13.716 7.451 -1.421 14 HB VAL 2 HB VAL 2 13.460 5.596 0.671 15 HG11 VAL 2 HG11 VAL 2 15.649 6.159 0.994 16 HG12 VAL 2 HG12 VAL 2 15.290 7.882 1.106 17 HG13 VAL 2 HG13 VAL 2 15.422 7.110 -0.474 18 HG21 VAL 2 HG21 VAL 2 13.219 8.419 1.751 19 HG22 VAL 2 HG22 VAL 2 13.316 6.928 2.688 20 HG23 VAL 2 HG23 VAL 2 11.885 7.266 1.714 21 H GLN 3 HN GLN 3 12.930 6.239 -3.099 22 HA GLN 3 HA GLN 3 10.497 4.569 -2.668 23 HB2 GLN 3 HB2 GLN 3 10.329 4.651 -5.071 24 HB3 GLN 3 HB1 GLN 3 10.756 6.277 -4.535 25 HG2 GLN 3 HG2 GLN 3 13.176 5.687 -4.952 26 HG3 GLN 3 HG1 GLN 3 12.621 4.180 -5.680 27 HE21 GLN 3 HE21 GLN 3 10.579 4.778 -7.302 28 HE22 GLN 3 HE22 GLN 3 10.964 5.999 -8.417 29 H TRP 4 HN TRP 4 13.888 4.354 -3.723 30 HA TRP 4 HA TRP 4 13.785 1.500 -4.290 31 HB2 TRP 4 HB2 TRP 4 15.474 3.666 -4.752 32 HB3 TRP 4 HB1 TRP 4 16.387 2.668 -3.620 33 HD1 TRP 4 HD1 TRP 4 17.671 0.729 -4.639 34 HE1 TRP 4 HE1 TRP 4 17.599 -0.561 -6.871 35 HE3 TRP 4 HE3 TRP 4 13.583 2.908 -6.785 36 HZ2 TRP 4 HZ2 TRP 4 16.013 -0.655 -9.253 37 HZ3 TRP 4 HZ3 TRP 4 12.813 2.203 -9.031 38 HH2 TRP 4 HH2 TRP 4 14.022 0.426 -10.268 39 H PHE 5 HN PHE 5 14.968 3.490 -1.570 40 HA PHE 5 HA PHE 5 15.907 1.275 0.022 41 HB2 PHE 5 HB2 PHE 5 16.337 3.862 0.089 42 HB3 PHE 5 HB1 PHE 5 14.899 3.896 1.109 43 HD1 PHE 5 HD1 PHE 5 15.218 3.698 3.404 44 HD2 PHE 5 HD2 PHE 5 18.054 1.886 0.734 45 HE1 PHE 5 HE1 PHE 5 16.579 2.969 5.344 46 HE2 PHE 5 HE2 PHE 5 19.415 1.156 2.675 47 HZ PHE 5 HZ PHE 5 18.677 1.698 4.980 48 H SER 6 HN SER 6 12.771 2.792 -0.439 49 HA SER 6 HA SER 6 11.571 1.488 1.916 50 HB2 SER 6 HB2 SER 6 10.902 3.734 1.145 51 HB3 SER 6 HB1 SER 6 10.425 3.064 -0.414 52 HG SER 6 HG SER 6 8.686 3.333 1.121 53 H LYS 7 HN LYS 7 12.012 0.843 -1.482 54 HA LYS 7 HA LYS 7 9.845 -0.969 -1.946 55 HB2 LYS 7 HB2 LYS 7 12.537 -0.347 -3.084 56 HB3 LYS 7 HB1 LYS 7 11.764 -1.846 -3.599 57 HG2 LYS 7 HG2 LYS 7 10.083 0.620 -3.575 58 HG3 LYS 7 HG1 LYS 7 11.300 0.486 -4.844 59 HD2 LYS 7 HD2 LYS 7 9.320 -1.719 -4.220 60 HD3 LYS 7 HD1 LYS 7 9.020 -0.474 -5.432 61 HE2 LYS 7 HE2 LYS 7 11.357 -1.173 -6.384 62 HE3 LYS 7 HE1 LYS 7 11.100 -2.657 -5.449 63 HZ1 LYS 7 HZ1 LYS 7 9.243 -1.472 -7.451 64 HZ2 LYS 7 HZ2 LYS 7 8.877 -2.814 -6.475 65 HZ3 LYS 7 HZ3 LYS 7 10.122 -2.912 -7.627 66 H PHE 8 HN PHE 8 12.842 -1.303 -0.193 67 HA PHE 8 HA PHE 8 12.479 -4.269 -0.034 68 HB2 PHE 8 HB2 PHE 8 14.672 -2.513 -0.430 69 HB3 PHE 8 HB1 PHE 8 14.883 -3.218 1.169 70 HD1 PHE 8 HD1 PHE 8 15.885 -5.326 1.343 71 HD2 PHE 8 HD2 PHE 8 13.935 -4.218 -2.320 72 HE1 PHE 8 HE1 PHE 8 16.629 -7.451 0.304 73 HE2 PHE 8 HE2 PHE 8 14.679 -6.343 -3.359 74 HZ PHE 8 HZ PHE 8 16.025 -7.960 -2.047 75 H LEU 9 HN LEU 9 12.665 -1.287 1.833 76 HA LEU 9 HA LEU 9 12.408 -2.744 4.403 77 HB2 LEU 9 HB2 LEU 9 12.543 0.217 3.749 78 HB3 LEU 9 HB1 LEU 9 12.793 -0.519 5.329 79 HG LEU 9 HG LEU 9 14.511 -0.903 2.866 80 HD11 LEU 9 HD11 LEU 9 16.247 0.154 4.266 81 HD12 LEU 9 HD12 LEU 9 15.083 0.331 5.579 82 HD13 LEU 9 HD13 LEU 9 14.860 1.226 4.075 83 HD21 LEU 9 HD21 LEU 9 14.922 -2.938 3.794 84 HD22 LEU 9 HD22 LEU 9 14.167 -2.487 5.325 85 HD23 LEU 9 HD23 LEU 9 15.840 -2.034 4.999 86 H GLY 10 HN GLY 10 10.678 -0.187 2.586 87 HA2 GLY 10 HA2 GLY 10 8.413 0.045 4.230 88 HA3 GLY 10 HA1 GLY 10 8.375 0.288 2.483 89 H ARG 11 HN ARG 11 9.345 -2.546 2.095 90 HA ARG 11 HA ARG 11 6.750 -3.804 1.872 91 HB2 ARG 11 HB2 ARG 11 7.929 -5.342 0.630 92 HB3 ARG 11 HB1 ARG 11 9.068 -3.998 0.586 93 HG2 ARG 11 HG2 ARG 11 10.219 -4.962 2.575 94 HG3 ARG 11 HG1 ARG 11 9.133 -6.353 2.490 95 HD2 ARG 11 HD2 ARG 11 10.096 -6.007 -0.126 96 HD3 ARG 11 HD1 ARG 11 11.515 -5.821 0.925 97 HE ARG 11 HE ARG 11 10.042 -7.996 1.950 98 HH11 ARG 11 HH11 ARG 11 10.577 -10.116 1.429 99 HH12 ARG 11 HH12 ARG 11 11.467 -10.448 -0.019 100 HH21 ARG 11 HH21 ARG 11 11.685 -7.131 -0.988 101 HH22 ARG 11 HH22 ARG 11 12.089 -8.766 -1.377 102 H ILE 12 HN ILE 12 9.115 -3.659 4.400 103 HA ILE 12 HA ILE 12 7.838 -5.988 5.792 104 HB ILE 12 HB ILE 12 10.334 -4.747 6.820 105 HG12 ILE 12 HG12 ILE 12 10.218 -6.207 4.174 106 HG13 ILE 12 HG11 ILE 12 10.802 -4.568 4.446 107 HG21 ILE 12 HG21 ILE 12 10.353 -7.583 6.184 108 HG22 ILE 12 HG22 ILE 12 8.915 -7.143 7.104 109 HG23 ILE 12 HG23 ILE 12 10.518 -6.791 7.750 110 HD11 ILE 12 HD11 ILE 12 12.442 -5.725 6.137 111 HD12 ILE 12 HD12 ILE 12 12.798 -5.784 4.411 112 HD13 ILE 12 HD13 ILE 12 12.077 -7.180 5.211 113 H LEU 13 HN LEU 13 8.590 -2.567 5.952 114 HA LEU 13 HA LEU 13 7.908 -2.219 8.750 115 HB2 LEU 13 HB2 LEU 13 8.570 -0.591 6.327 116 HB3 LEU 13 HB1 LEU 13 7.931 0.218 7.742 117 HG LEU 13 HG LEU 13 9.759 -1.238 8.984 118 HD11 LEU 13 HD11 LEU 13 10.358 -2.419 6.838 119 HD12 LEU 13 HD12 LEU 13 11.730 -1.646 7.635 120 HD13 LEU 13 HD13 LEU 13 10.979 -0.882 6.234 121 HD21 LEU 13 HD21 LEU 13 10.896 0.731 9.222 122 HD22 LEU 13 HD22 LEU 13 9.533 1.391 8.316 123 HD23 LEU 13 HD23 LEU 13 11.030 0.975 7.481 Start of MODEL 15 1 H1 PHE 1 HT1 PHE 1 11.645 9.593 2.658 2 H2 PHE 1 HT2 PHE 1 10.330 10.669 2.700 3 H3 PHE 1 HT3 PHE 1 11.834 11.183 2.099 4 HA PHE 1 HA PHE 1 9.843 9.409 0.829 5 HB2 PHE 1 HB2 PHE 1 10.838 12.086 0.642 6 HB3 PHE 1 HB1 PHE 1 11.277 11.239 -0.842 7 HD1 PHE 1 HD1 PHE 1 8.947 13.392 0.179 8 HD2 PHE 1 HD2 PHE 1 9.114 9.341 -1.239 9 HE1 PHE 1 HE1 PHE 1 6.605 13.575 -0.615 10 HE2 PHE 1 HE2 PHE 1 6.772 9.523 -2.034 11 HZ PHE 1 HZ PHE 1 5.516 11.639 -1.722 12 H VAL 2 HN VAL 2 10.696 7.483 0.125 13 HA VAL 2 HA VAL 2 13.327 7.511 -1.247 14 HB VAL 2 HB VAL 2 13.250 5.178 0.366 15 HG11 VAL 2 HG11 VAL 2 14.817 7.762 0.629 16 HG12 VAL 2 HG12 VAL 2 15.271 6.365 -0.346 17 HG13 VAL 2 HG13 VAL 2 15.240 6.239 1.413 18 HG21 VAL 2 HG21 VAL 2 13.022 6.073 2.617 19 HG22 VAL 2 HG22 VAL 2 11.544 6.422 1.720 20 HG23 VAL 2 HG23 VAL 2 12.739 7.694 1.982 21 H GLN 3 HN GLN 3 13.437 5.968 -2.867 22 HA GLN 3 HA GLN 3 10.924 4.467 -3.427 23 HB2 GLN 3 HB2 GLN 3 12.884 6.009 -4.907 24 HB3 GLN 3 HB1 GLN 3 12.695 4.401 -5.612 25 HG2 GLN 3 HG2 GLN 3 10.306 4.692 -5.769 26 HG3 GLN 3 HG1 GLN 3 10.393 6.219 -4.889 27 HE21 GLN 3 HE21 GLN 3 9.282 6.990 -7.020 28 HE22 GLN 3 HE22 GLN 3 10.305 7.456 -8.291 29 H TRP 4 HN TRP 4 14.416 4.017 -4.021 30 HA TRP 4 HA TRP 4 14.220 1.160 -4.208 31 HB2 TRP 4 HB2 TRP 4 16.075 3.215 -4.641 32 HB3 TRP 4 HB1 TRP 4 16.820 2.197 -3.408 33 HD1 TRP 4 HD1 TRP 4 17.341 -0.334 -4.034 34 HE1 TRP 4 HE1 TRP 4 17.603 -1.526 -6.305 35 HE3 TRP 4 HE3 TRP 4 15.242 3.158 -7.111 36 HZ2 TRP 4 HZ2 TRP 4 17.002 -1.059 -9.061 37 HZ3 TRP 4 HZ3 TRP 4 15.100 2.760 -9.552 38 HH2 TRP 4 HH2 TRP 4 15.977 0.658 -10.531 39 H PHE 5 HN PHE 5 14.763 3.393 -1.549 40 HA PHE 5 HA PHE 5 15.636 1.338 0.344 41 HB2 PHE 5 HB2 PHE 5 15.867 4.038 0.146 42 HB3 PHE 5 HB1 PHE 5 14.498 3.932 1.254 43 HD1 PHE 5 HD1 PHE 5 17.833 2.286 0.704 44 HD2 PHE 5 HD2 PHE 5 14.973 3.800 3.529 45 HE1 PHE 5 HE1 PHE 5 19.382 1.742 2.563 46 HE2 PHE 5 HE2 PHE 5 16.522 3.256 5.388 47 HZ PHE 5 HZ PHE 5 18.726 2.228 4.905 48 H SER 6 HN SER 6 12.602 2.618 -0.788 49 HA SER 6 HA SER 6 11.096 1.553 1.539 50 HB2 SER 6 HB2 SER 6 10.686 3.771 0.300 51 HB3 SER 6 HB1 SER 6 10.043 2.790 -1.016 52 HG SER 6 HG SER 6 8.910 1.846 1.100 53 H LYS 7 HN LYS 7 11.904 0.753 -1.771 54 HA LYS 7 HA LYS 7 9.835 -1.166 -2.303 55 HB2 LYS 7 HB2 LYS 7 12.660 -0.694 -3.276 56 HB3 LYS 7 HB1 LYS 7 11.654 -1.980 -3.943 57 HG2 LYS 7 HG2 LYS 7 10.239 0.577 -3.778 58 HG3 LYS 7 HG1 LYS 7 11.678 0.666 -4.794 59 HD2 LYS 7 HD2 LYS 7 10.737 -0.611 -6.408 60 HD3 LYS 7 HD1 LYS 7 10.135 -1.784 -5.235 61 HE2 LYS 7 HE2 LYS 7 8.734 0.814 -5.148 62 HE3 LYS 7 HE1 LYS 7 8.519 -0.081 -6.663 63 HZ1 LYS 7 HZ1 LYS 7 8.427 -1.564 -4.132 64 HZ2 LYS 7 HZ2 LYS 7 7.606 -1.866 -5.589 65 HZ3 LYS 7 HZ3 LYS 7 7.072 -0.633 -4.548 66 H PHE 8 HN PHE 8 12.644 -1.277 -0.264 67 HA PHE 8 HA PHE 8 12.385 -4.255 -0.033 68 HB2 PHE 8 HB2 PHE 8 14.562 -2.512 -0.532 69 HB3 PHE 8 HB1 PHE 8 14.779 -3.111 1.110 70 HD1 PHE 8 HD1 PHE 8 15.618 -5.279 1.485 71 HD2 PHE 8 HD2 PHE 8 14.022 -4.256 -2.370 72 HE1 PHE 8 HE1 PHE 8 16.383 -7.461 0.588 73 HE2 PHE 8 HE2 PHE 8 14.787 -6.438 -3.267 74 HZ PHE 8 HZ PHE 8 15.967 -8.041 -1.787 75 H LEU 9 HN LEU 9 12.818 -1.213 1.755 76 HA LEU 9 HA LEU 9 12.481 -2.542 4.366 77 HB2 LEU 9 HB2 LEU 9 12.585 0.400 3.628 78 HB3 LEU 9 HB1 LEU 9 12.949 -0.317 5.197 79 HG LEU 9 HG LEU 9 14.497 -0.809 2.637 80 HD11 LEU 9 HD11 LEU 9 14.603 1.432 4.163 81 HD12 LEU 9 HD12 LEU 9 16.006 0.769 3.324 82 HD13 LEU 9 HD13 LEU 9 15.750 0.415 5.033 83 HD21 LEU 9 HD21 LEU 9 14.691 -2.782 3.920 84 HD22 LEU 9 HD22 LEU 9 14.690 -1.896 5.445 85 HD23 LEU 9 HD23 LEU 9 16.105 -1.841 4.394 86 H GLY 10 HN GLY 10 10.671 -0.266 2.289 87 HA2 GLY 10 HA2 GLY 10 8.453 0.150 4.007 88 HA3 GLY 10 HA1 GLY 10 8.380 0.250 2.247 89 H ARG 11 HN ARG 11 9.327 -2.565 1.982 90 HA ARG 11 HA ARG 11 6.771 -3.886 1.910 91 HB2 ARG 11 HB2 ARG 11 9.567 -5.064 1.882 92 HB3 ARG 11 HB1 ARG 11 8.115 -5.780 1.182 93 HG2 ARG 11 HG2 ARG 11 9.660 -3.365 0.251 94 HG3 ARG 11 HG1 ARG 11 9.181 -4.789 -0.672 95 HD2 ARG 11 HD2 ARG 11 7.345 -2.597 0.361 96 HD3 ARG 11 HD1 ARG 11 7.704 -2.981 -1.333 97 HE ARG 11 HE ARG 11 6.812 -5.383 -0.211 98 HH11 ARG 11 HH11 ARG 11 4.666 -6.038 -0.311 99 HH12 ARG 11 HH12 ARG 11 3.415 -4.859 -0.514 100 HH21 ARG 11 HH21 ARG 11 5.577 -2.157 -0.602 101 HH22 ARG 11 HH22 ARG 11 3.930 -2.677 -0.678 102 H ILE 12 HN ILE 12 9.106 -3.450 4.427 103 HA ILE 12 HA ILE 12 7.785 -5.596 6.056 104 HB ILE 12 HB ILE 12 10.360 -4.576 7.000 105 HG12 ILE 12 HG12 ILE 12 10.146 -5.685 4.192 106 HG13 ILE 12 HG11 ILE 12 10.885 -4.164 4.690 107 HG21 ILE 12 HG21 ILE 12 10.606 -6.758 7.602 108 HG22 ILE 12 HG22 ILE 12 10.101 -7.350 6.018 109 HG23 ILE 12 HG23 ILE 12 8.890 -6.877 7.210 110 HD11 ILE 12 HD11 ILE 12 12.476 -5.587 6.115 111 HD12 ILE 12 HD12 ILE 12 12.706 -5.668 4.369 112 HD13 ILE 12 HD13 ILE 12 11.872 -6.975 5.210 113 H LEU 13 HN LEU 13 8.845 -2.236 5.921 114 HA LEU 13 HA LEU 13 8.167 -1.671 8.708 115 HB2 LEU 13 HB2 LEU 13 9.272 -0.336 6.286 116 HB3 LEU 13 HB1 LEU 13 8.581 0.693 7.523 117 HG LEU 13 HG LEU 13 10.054 -0.998 9.051 118 HD11 LEU 13 HD11 LEU 13 10.990 -2.197 7.155 119 HD12 LEU 13 HD12 LEU 13 12.266 -1.220 7.886 120 HD13 LEU 13 HD13 LEU 13 11.484 -0.681 6.400 121 HD21 LEU 13 HD21 LEU 13 10.204 1.711 8.136 122 HD22 LEU 13 HD22 LEU 13 11.839 1.049 8.175 123 HD23 LEU 13 HD23 LEU 13 10.844 1.029 9.632 Start of MODEL 16 1 H1 PHE 1 HT1 PHE 1 9.910 11.316 0.430 2 H2 PHE 1 HT2 PHE 1 10.259 9.891 -0.428 3 H3 PHE 1 HT3 PHE 1 10.883 11.379 -0.959 4 HA PHE 1 HA PHE 1 12.406 11.521 0.809 5 HB2 PHE 1 HB2 PHE 1 10.246 10.018 2.020 6 HB3 PHE 1 HB1 PHE 1 11.795 9.261 2.393 7 HD1 PHE 1 HD1 PHE 1 13.507 10.448 3.672 8 HD2 PHE 1 HD2 PHE 1 9.748 12.306 2.738 9 HE1 PHE 1 HE1 PHE 1 13.974 12.229 5.333 10 HE2 PHE 1 HE2 PHE 1 10.215 14.087 4.400 11 HZ PHE 1 HZ PHE 1 12.328 14.048 5.697 12 H VAL 2 HN VAL 2 11.428 8.081 0.622 13 HA VAL 2 HA VAL 2 13.838 7.540 -1.062 14 HB VAL 2 HB VAL 2 13.710 5.435 0.747 15 HG11 VAL 2 HG11 VAL 2 15.853 6.155 0.367 16 HG12 VAL 2 HG12 VAL 2 15.583 7.032 1.873 17 HG13 VAL 2 HG13 VAL 2 15.382 7.855 0.327 18 HG21 VAL 2 HG21 VAL 2 13.322 8.020 2.277 19 HG22 VAL 2 HG22 VAL 2 13.471 6.395 2.945 20 HG23 VAL 2 HG23 VAL 2 12.036 6.843 2.023 21 H GLN 3 HN GLN 3 13.018 6.525 -2.850 22 HA GLN 3 HA GLN 3 10.593 4.810 -2.566 23 HB2 GLN 3 HB2 GLN 3 10.335 5.210 -4.918 24 HB3 GLN 3 HB1 GLN 3 10.832 6.750 -4.217 25 HG2 GLN 3 HG2 GLN 3 13.203 6.192 -4.812 26 HG3 GLN 3 HG1 GLN 3 12.613 4.749 -5.638 27 HE21 GLN 3 HE21 GLN 3 12.963 8.220 -5.886 28 HE22 GLN 3 HE22 GLN 3 12.275 8.379 -7.429 29 H TRP 4 HN TRP 4 13.970 4.748 -3.657 30 HA TRP 4 HA TRP 4 13.886 2.020 -4.658 31 HB2 TRP 4 HB2 TRP 4 15.681 4.262 -4.461 32 HB3 TRP 4 HB1 TRP 4 16.511 2.813 -3.893 33 HD1 TRP 4 HD1 TRP 4 15.397 4.542 -6.989 34 HE1 TRP 4 HE1 TRP 4 15.858 3.063 -9.050 35 HE3 TRP 4 HE3 TRP 4 16.521 0.129 -4.676 36 HZ2 TRP 4 HZ2 TRP 4 16.605 0.365 -9.640 37 HZ3 TRP 4 HZ3 TRP 4 17.102 -1.877 -6.010 38 HH2 TRP 4 HH2 TRP 4 17.146 -1.765 -8.487 39 H PHE 5 HN PHE 5 14.824 3.553 -1.590 40 HA PHE 5 HA PHE 5 15.786 1.087 -0.373 41 HB2 PHE 5 HB2 PHE 5 16.401 3.527 0.129 42 HB3 PHE 5 HB1 PHE 5 14.860 3.633 0.978 43 HD1 PHE 5 HD1 PHE 5 14.875 3.198 3.262 44 HD2 PHE 5 HD2 PHE 5 17.807 1.310 0.753 45 HE1 PHE 5 HE1 PHE 5 15.902 2.144 5.257 46 HE2 PHE 5 HE2 PHE 5 18.834 0.256 2.750 47 HZ PHE 5 HZ PHE 5 17.882 0.672 5.000 48 H SER 6 HN SER 6 12.707 2.815 -0.508 49 HA SER 6 HA SER 6 11.403 1.382 1.638 50 HB2 SER 6 HB2 SER 6 10.666 3.153 -0.660 51 HB3 SER 6 HB1 SER 6 9.374 2.252 0.134 52 HG SER 6 HG SER 6 9.467 3.670 1.652 53 H LYS 7 HN LYS 7 12.057 0.639 -1.713 54 HA LYS 7 HA LYS 7 10.008 -1.243 -2.286 55 HB2 LYS 7 HB2 LYS 7 12.844 -0.745 -3.126 56 HB3 LYS 7 HB1 LYS 7 12.025 -2.195 -3.709 57 HG2 LYS 7 HG2 LYS 7 10.091 -0.334 -4.139 58 HG3 LYS 7 HG1 LYS 7 11.535 0.651 -4.375 59 HD2 LYS 7 HD2 LYS 7 11.249 -2.052 -5.687 60 HD3 LYS 7 HD1 LYS 7 10.592 -0.598 -6.437 61 HE2 LYS 7 HE2 LYS 7 13.223 0.067 -5.611 62 HE3 LYS 7 HE1 LYS 7 13.328 -1.514 -6.410 63 HZ1 LYS 7 HZ1 LYS 7 11.708 0.708 -7.516 64 HZ2 LYS 7 HZ2 LYS 7 12.240 -0.699 -8.305 65 HZ3 LYS 7 HZ3 LYS 7 13.348 0.526 -7.908 66 H PHE 8 HN PHE 8 12.742 -1.461 -0.151 67 HA PHE 8 HA PHE 8 12.280 -4.409 0.191 68 HB2 PHE 8 HB2 PHE 8 14.574 -2.786 -0.285 69 HB3 PHE 8 HB1 PHE 8 14.711 -3.410 1.355 70 HD1 PHE 8 HD1 PHE 8 15.122 -5.727 1.785 71 HD2 PHE 8 HD2 PHE 8 14.260 -4.385 -2.202 72 HE1 PHE 8 HE1 PHE 8 15.779 -7.947 0.895 73 HE2 PHE 8 HE2 PHE 8 14.916 -6.604 -3.092 74 HZ PHE 8 HZ PHE 8 15.677 -8.386 -1.543 75 H LEU 9 HN LEU 9 12.565 -1.276 1.711 76 HA LEU 9 HA LEU 9 12.463 -2.229 4.459 77 HB2 LEU 9 HB2 LEU 9 13.580 -0.221 4.183 78 HB3 LEU 9 HB1 LEU 9 12.571 0.280 2.845 79 HG LEU 9 HG LEU 9 10.765 0.804 4.326 80 HD11 LEU 9 HD11 LEU 9 11.862 0.645 6.903 81 HD12 LEU 9 HD12 LEU 9 12.281 -0.886 6.133 82 HD13 LEU 9 HD13 LEU 9 10.595 -0.383 6.236 83 HD21 LEU 9 HD21 LEU 9 11.651 2.783 5.131 84 HD22 LEU 9 HD22 LEU 9 12.969 2.284 4.071 85 HD23 LEU 9 HD23 LEU 9 13.072 1.986 5.806 86 H GLY 10 HN GLY 10 10.312 -0.355 2.325 87 HA2 GLY 10 HA2 GLY 10 8.040 -0.257 3.987 88 HA3 GLY 10 HA1 GLY 10 7.960 -0.258 2.224 89 H ARG 11 HN ARG 11 9.361 -2.911 2.147 90 HA ARG 11 HA ARG 11 7.060 -4.624 2.080 91 HB2 ARG 11 HB2 ARG 11 9.999 -5.347 2.306 92 HB3 ARG 11 HB1 ARG 11 8.724 -6.334 1.593 93 HG2 ARG 11 HG2 ARG 11 9.969 -3.805 0.533 94 HG3 ARG 11 HG1 ARG 11 9.734 -5.348 -0.286 95 HD2 ARG 11 HD2 ARG 11 7.578 -3.343 0.461 96 HD3 ARG 11 HD1 ARG 11 8.082 -3.814 -1.173 97 HE ARG 11 HE ARG 11 7.428 -6.210 0.132 98 HH11 ARG 11 HH11 ARG 11 5.390 -7.147 -0.041 99 HH12 ARG 11 HH12 ARG 11 4.024 -6.163 -0.448 100 HH21 ARG 11 HH21 ARG 11 5.843 -3.225 -0.676 101 HH22 ARG 11 HH22 ARG 11 4.281 -3.957 -0.804 102 H ILE 12 HN ILE 12 9.183 -3.663 4.648 103 HA ILE 12 HA ILE 12 8.158 -5.870 6.395 104 HB ILE 12 HB ILE 12 10.383 -4.108 7.262 105 HG12 ILE 12 HG12 ILE 12 10.616 -5.950 4.869 106 HG13 ILE 12 HG11 ILE 12 10.976 -4.225 4.925 107 HG21 ILE 12 HG21 ILE 12 9.594 -6.166 8.456 108 HG22 ILE 12 HG22 ILE 12 11.301 -6.227 8.017 109 HG23 ILE 12 HG23 ILE 12 10.114 -7.121 7.067 110 HD11 ILE 12 HD11 ILE 12 12.436 -6.375 6.485 111 HD12 ILE 12 HD12 ILE 12 12.788 -4.647 6.540 112 HD13 ILE 12 HD13 ILE 12 13.048 -5.554 5.049 113 H LEU 13 HN LEU 13 8.609 -2.369 6.097 114 HA LEU 13 HA LEU 13 7.442 -1.793 8.710 115 HB2 LEU 13 HB2 LEU 13 8.658 -0.405 6.370 116 HB3 LEU 13 HB1 LEU 13 7.684 0.545 7.476 117 HG LEU 13 HG LEU 13 10.100 0.493 8.113 118 HD11 LEU 13 HD11 LEU 13 9.542 0.575 10.319 119 HD12 LEU 13 HD12 LEU 13 8.877 -1.058 10.300 120 HD13 LEU 13 HD13 LEU 13 7.900 0.297 9.736 121 HD21 LEU 13 HD21 LEU 13 10.233 -1.986 7.275 122 HD22 LEU 13 HD22 LEU 13 9.705 -2.374 8.913 123 HD23 LEU 13 HD23 LEU 13 11.210 -1.490 8.657 Start of MODEL 17 1 H1 PHE 1 HT1 PHE 1 12.043 12.541 1.163 2 H2 PHE 1 HT2 PHE 1 13.513 11.964 0.535 3 H3 PHE 1 HT3 PHE 1 12.720 11.111 1.772 4 HA PHE 1 HA PHE 1 10.879 10.594 0.280 5 HB2 PHE 1 HB2 PHE 1 11.937 12.854 -0.983 6 HB3 PHE 1 HB1 PHE 1 12.269 11.537 -2.107 7 HD1 PHE 1 HD1 PHE 1 10.271 9.848 -2.491 8 HD2 PHE 1 HD2 PHE 1 9.827 13.856 -1.010 9 HE1 PHE 1 HE1 PHE 1 7.891 9.842 -3.189 10 HE2 PHE 1 HE2 PHE 1 7.447 13.850 -1.708 11 HZ PHE 1 HZ PHE 1 6.480 11.843 -2.797 12 H VAL 2 HN VAL 2 11.326 8.419 0.227 13 HA VAL 2 HA VAL 2 13.727 7.520 -1.325 14 HB VAL 2 HB VAL 2 13.225 5.723 0.818 15 HG11 VAL 2 HG11 VAL 2 15.366 6.974 -0.424 16 HG12 VAL 2 HG12 VAL 2 15.477 5.882 0.957 17 HG13 VAL 2 HG13 VAL 2 15.416 7.625 1.214 18 HG21 VAL 2 HG21 VAL 2 11.962 7.569 1.883 19 HG22 VAL 2 HG22 VAL 2 13.364 8.622 1.704 20 HG23 VAL 2 HG23 VAL 2 13.448 7.217 2.765 21 H GLN 3 HN GLN 3 12.849 6.399 -3.026 22 HA GLN 3 HA GLN 3 10.416 4.724 -2.535 23 HB2 GLN 3 HB2 GLN 3 9.842 5.208 -4.740 24 HB3 GLN 3 HB1 GLN 3 10.736 6.667 -4.320 25 HG2 GLN 3 HG2 GLN 3 12.811 5.558 -5.231 26 HG3 GLN 3 HG1 GLN 3 11.785 4.247 -5.813 27 HE21 GLN 3 HE21 GLN 3 10.872 4.546 -7.861 28 HE22 GLN 3 HE22 GLN 3 10.776 6.036 -8.669 29 H TRP 4 HN TRP 4 13.736 4.700 -3.736 30 HA TRP 4 HA TRP 4 13.677 1.953 -4.704 31 HB2 TRP 4 HB2 TRP 4 15.514 4.224 -4.430 32 HB3 TRP 4 HB1 TRP 4 16.310 2.674 -4.160 33 HD1 TRP 4 HD1 TRP 4 13.346 2.922 -6.525 34 HE1 TRP 4 HE1 TRP 4 14.152 2.477 -8.932 35 HE3 TRP 4 HE3 TRP 4 18.396 2.844 -5.766 36 HZ2 TRP 4 HZ2 TRP 4 16.611 2.134 -10.349 37 HZ3 TRP 4 HZ3 TRP 4 19.945 2.458 -7.661 38 HH2 TRP 4 HH2 TRP 4 19.061 2.103 -9.950 39 H PHE 5 HN PHE 5 14.577 3.582 -1.692 40 HA PHE 5 HA PHE 5 15.683 1.199 -0.432 41 HB2 PHE 5 HB2 PHE 5 16.122 3.721 -0.011 42 HB3 PHE 5 HB1 PHE 5 14.629 3.682 0.929 43 HD1 PHE 5 HD1 PHE 5 15.171 3.685 3.205 44 HD2 PHE 5 HD2 PHE 5 17.408 1.199 0.510 45 HE1 PHE 5 HE1 PHE 5 16.408 2.717 5.125 46 HE2 PHE 5 HE2 PHE 5 18.646 0.232 2.430 47 HZ PHE 5 HZ PHE 5 18.146 0.992 4.736 48 H SER 6 HN SER 6 12.541 2.858 -0.440 49 HA SER 6 HA SER 6 11.315 1.407 1.700 50 HB2 SER 6 HB2 SER 6 10.122 3.272 1.035 51 HB3 SER 6 HB1 SER 6 10.492 3.025 -0.671 52 HG SER 6 HG SER 6 8.863 1.212 0.733 53 H LYS 7 HN LYS 7 11.821 0.635 -1.703 54 HA LYS 7 HA LYS 7 9.978 -1.449 -2.116 55 HB2 LYS 7 HB2 LYS 7 12.826 -0.974 -3.016 56 HB3 LYS 7 HB1 LYS 7 11.835 -2.275 -3.675 57 HG2 LYS 7 HG2 LYS 7 10.557 0.402 -3.598 58 HG3 LYS 7 HG1 LYS 7 11.901 0.230 -4.726 59 HD2 LYS 7 HD2 LYS 7 9.618 -1.753 -4.589 60 HD3 LYS 7 HD1 LYS 7 9.602 -0.354 -5.662 61 HE2 LYS 7 HE2 LYS 7 11.548 -1.137 -6.849 62 HE3 LYS 7 HE1 LYS 7 11.843 -2.402 -5.642 63 HZ1 LYS 7 HZ1 LYS 7 10.061 -3.623 -6.350 64 HZ2 LYS 7 HZ2 LYS 7 10.475 -2.893 -7.828 65 HZ3 LYS 7 HZ3 LYS 7 9.196 -2.270 -6.897 66 H PHE 8 HN PHE 8 12.894 -1.422 -0.155 67 HA PHE 8 HA PHE 8 12.592 -4.367 0.338 68 HB2 PHE 8 HB2 PHE 8 14.763 -2.611 -0.273 69 HB3 PHE 8 HB1 PHE 8 15.007 -3.217 1.361 70 HD1 PHE 8 HD1 PHE 8 16.650 -4.898 1.191 71 HD2 PHE 8 HD2 PHE 8 13.367 -4.848 -1.579 72 HE1 PHE 8 HE1 PHE 8 17.382 -7.086 0.284 73 HE2 PHE 8 HE2 PHE 8 14.100 -7.036 -2.487 74 HZ PHE 8 HZ PHE 8 16.106 -8.156 -1.555 75 H LEU 9 HN LEU 9 12.627 -1.174 1.725 76 HA LEU 9 HA LEU 9 12.717 -2.110 4.506 77 HB2 LEU 9 HB2 LEU 9 13.833 -0.109 4.176 78 HB3 LEU 9 HB1 LEU 9 12.765 0.398 2.887 79 HG LEU 9 HG LEU 9 11.031 0.928 4.446 80 HD11 LEU 9 HD11 LEU 9 12.764 -0.624 6.283 81 HD12 LEU 9 HD12 LEU 9 11.005 -0.498 6.238 82 HD13 LEU 9 HD13 LEU 9 11.962 0.779 6.990 83 HD21 LEU 9 HD21 LEU 9 12.797 2.350 6.084 84 HD22 LEU 9 HD22 LEU 9 12.117 2.905 4.553 85 HD23 LEU 9 HD23 LEU 9 13.687 2.100 4.581 86 H GLY 10 HN GLY 10 10.514 -0.190 2.472 87 HA2 GLY 10 HA2 GLY 10 8.298 -0.092 4.206 88 HA3 GLY 10 HA1 GLY 10 8.157 -0.063 2.453 89 H ARG 11 HN ARG 11 9.488 -2.749 2.276 90 HA ARG 11 HA ARG 11 7.147 -4.388 2.229 91 HB2 ARG 11 HB2 ARG 11 8.594 -5.892 1.285 92 HB3 ARG 11 HB1 ARG 11 9.590 -4.445 1.149 93 HG2 ARG 11 HG2 ARG 11 10.669 -5.013 3.313 94 HG3 ARG 11 HG1 ARG 11 9.718 -6.501 3.374 95 HD2 ARG 11 HD2 ARG 11 10.874 -6.398 0.794 96 HD3 ARG 11 HD1 ARG 11 12.171 -6.017 1.946 97 HE ARG 11 HE ARG 11 10.465 -8.228 2.813 98 HH11 ARG 11 HH11 ARG 11 11.427 -10.255 2.915 99 HH12 ARG 11 HH12 ARG 11 12.948 -10.526 2.134 100 HH21 ARG 11 HH21 ARG 11 13.232 -7.294 0.929 101 HH22 ARG 11 HH22 ARG 11 13.961 -8.859 1.017 102 H ILE 12 HN ILE 12 9.561 -3.797 4.717 103 HA ILE 12 HA ILE 12 8.640 -6.040 6.403 104 HB ILE 12 HB ILE 12 10.407 -3.755 7.265 105 HG12 ILE 12 HG12 ILE 12 10.889 -5.727 5.096 106 HG13 ILE 12 HG11 ILE 12 11.537 -4.103 5.298 107 HG21 ILE 12 HG21 ILE 12 11.382 -5.368 8.681 108 HG22 ILE 12 HG22 ILE 12 10.812 -6.713 7.691 109 HG23 ILE 12 HG23 ILE 12 9.675 -5.810 8.691 110 HD11 ILE 12 HD11 ILE 12 12.823 -5.134 7.324 111 HD12 ILE 12 HD12 ILE 12 13.415 -5.453 5.695 112 HD13 ILE 12 HD13 ILE 12 12.476 -6.677 6.545 113 H LEU 13 HN LEU 13 7.813 -2.740 5.860 114 HA LEU 13 HA LEU 13 6.742 -2.210 8.513 115 HB2 LEU 13 HB2 LEU 13 6.287 -0.745 5.910 116 HB3 LEU 13 HB1 LEU 13 6.324 -0.087 7.530 117 HG LEU 13 HG LEU 13 8.615 -0.999 5.841 118 HD11 LEU 13 HD11 LEU 13 7.694 1.480 7.176 119 HD12 LEU 13 HD12 LEU 13 8.562 1.276 5.654 120 HD13 LEU 13 HD13 LEU 13 9.434 1.194 7.185 121 HD21 LEU 13 HD21 LEU 13 9.341 -2.143 7.688 122 HD22 LEU 13 HD22 LEU 13 8.360 -1.180 8.797 123 HD23 LEU 13 HD23 LEU 13 9.871 -0.528 8.163 Start of MODEL 18 1 H1 PHE 1 HT1 PHE 1 12.223 10.639 2.331 2 H2 PHE 1 HT2 PHE 1 11.334 11.958 1.732 3 H3 PHE 1 HT3 PHE 1 12.804 11.518 1.002 4 HA PHE 1 HA PHE 1 10.412 9.751 1.069 5 HB2 PHE 1 HB2 PHE 1 11.443 11.772 -0.945 6 HB3 PHE 1 HB1 PHE 1 10.227 10.554 -1.330 7 HD1 PHE 1 HD1 PHE 1 8.071 10.504 0.012 8 HD2 PHE 1 HD2 PHE 1 10.860 13.765 0.210 9 HE1 PHE 1 HE1 PHE 1 6.307 11.954 0.984 10 HE2 PHE 1 HE2 PHE 1 9.097 15.215 1.181 11 HZ PHE 1 HZ PHE 1 6.821 14.308 1.568 12 H VAL 2 HN VAL 2 11.006 7.706 0.467 13 HA VAL 2 HA VAL 2 13.459 7.350 -1.208 14 HB VAL 2 HB VAL 2 13.402 5.246 0.651 15 HG11 VAL 2 HG11 VAL 2 15.388 6.419 -0.276 16 HG12 VAL 2 HG12 VAL 2 15.461 6.293 1.481 17 HG13 VAL 2 HG13 VAL 2 15.009 7.820 0.725 18 HG21 VAL 2 HG21 VAL 2 13.269 6.354 2.819 19 HG22 VAL 2 HG22 VAL 2 11.759 6.624 1.947 20 HG23 VAL 2 HG23 VAL 2 12.966 7.908 2.042 21 H GLN 3 HN GLN 3 12.615 6.363 -3.020 22 HA GLN 3 HA GLN 3 10.345 4.468 -2.750 23 HB2 GLN 3 HB2 GLN 3 10.186 4.746 -5.135 24 HB3 GLN 3 HB1 GLN 3 10.542 6.342 -4.475 25 HG2 GLN 3 HG2 GLN 3 12.958 5.963 -4.949 26 HG3 GLN 3 HG1 GLN 3 12.547 4.414 -5.686 27 HE21 GLN 3 HE21 GLN 3 13.675 6.971 -6.932 28 HE22 GLN 3 HE22 GLN 3 12.609 7.327 -8.204 29 H TRP 4 HN TRP 4 13.751 4.555 -3.759 30 HA TRP 4 HA TRP 4 13.840 1.747 -4.534 31 HB2 TRP 4 HB2 TRP 4 15.384 4.062 -4.810 32 HB3 TRP 4 HB1 TRP 4 16.362 3.015 -3.783 33 HD1 TRP 4 HD1 TRP 4 15.504 0.221 -4.980 34 HE1 TRP 4 HE1 TRP 4 16.322 -0.466 -7.326 35 HE3 TRP 4 HE3 TRP 4 16.604 4.818 -6.915 36 HZ2 TRP 4 HZ2 TRP 4 17.311 0.769 -9.708 37 HZ3 TRP 4 HZ3 TRP 4 17.481 5.033 -9.222 38 HH2 TRP 4 HH2 TRP 4 17.836 3.017 -10.621 39 H PHE 5 HN PHE 5 14.592 3.630 -1.631 40 HA PHE 5 HA PHE 5 15.763 1.378 -0.179 41 HB2 PHE 5 HB2 PHE 5 15.831 4.103 -0.020 42 HB3 PHE 5 HB1 PHE 5 14.674 3.732 1.259 43 HD1 PHE 5 HD1 PHE 5 17.583 4.848 1.512 44 HD2 PHE 5 HD2 PHE 5 15.900 0.907 1.811 45 HE1 PHE 5 HE1 PHE 5 19.448 4.165 2.997 46 HE2 PHE 5 HE2 PHE 5 17.765 0.224 3.297 47 HZ PHE 5 HZ PHE 5 19.539 1.853 3.889 48 H SER 6 HN SER 6 12.561 2.652 -0.719 49 HA SER 6 HA SER 6 11.354 1.364 1.629 50 HB2 SER 6 HB2 SER 6 10.318 3.355 0.880 51 HB3 SER 6 HB1 SER 6 10.412 2.868 -0.813 52 HG SER 6 HG SER 6 8.303 2.645 0.118 53 H LYS 7 HN LYS 7 12.063 0.529 -1.684 54 HA LYS 7 HA LYS 7 10.130 -1.528 -2.129 55 HB2 LYS 7 HB2 LYS 7 12.949 -1.004 -3.093 56 HB3 LYS 7 HB1 LYS 7 11.960 -2.312 -3.739 57 HG2 LYS 7 HG2 LYS 7 10.431 0.140 -3.665 58 HG3 LYS 7 HG1 LYS 7 11.938 0.395 -4.542 59 HD2 LYS 7 HD2 LYS 7 10.437 -2.113 -5.126 60 HD3 LYS 7 HD1 LYS 7 9.750 -0.606 -5.734 61 HE2 LYS 7 HE2 LYS 7 11.511 -0.242 -7.196 62 HE3 LYS 7 HE1 LYS 7 12.684 -1.062 -6.147 63 HZ1 LYS 7 HZ1 LYS 7 10.458 -2.396 -7.607 64 HZ2 LYS 7 HZ2 LYS 7 11.625 -3.166 -6.642 65 HZ3 LYS 7 HZ3 LYS 7 12.082 -2.415 -8.096 66 H PHE 8 HN PHE 8 12.821 -1.412 0.021 67 HA PHE 8 HA PHE 8 12.797 -4.396 0.304 68 HB2 PHE 8 HB2 PHE 8 14.851 -2.551 -0.147 69 HB3 PHE 8 HB1 PHE 8 14.978 -2.926 1.568 70 HD1 PHE 8 HD1 PHE 8 14.145 -4.848 -1.554 71 HD2 PHE 8 HD2 PHE 8 16.483 -4.627 2.042 72 HE1 PHE 8 HE1 PHE 8 15.203 -7.023 -2.108 73 HE2 PHE 8 HE2 PHE 8 17.541 -6.801 1.489 74 HZ PHE 8 HZ PHE 8 16.901 -7.999 -0.586 75 H LEU 9 HN LEU 9 12.886 -1.297 2.040 76 HA LEU 9 HA LEU 9 12.385 -2.611 4.637 77 HB2 LEU 9 HB2 LEU 9 12.512 0.326 3.895 78 HB3 LEU 9 HB1 LEU 9 12.779 -0.386 5.485 79 HG LEU 9 HG LEU 9 14.522 -0.673 3.026 80 HD11 LEU 9 HD11 LEU 9 14.979 0.441 5.811 81 HD12 LEU 9 HD12 LEU 9 14.907 1.364 4.309 82 HD13 LEU 9 HD13 LEU 9 16.241 0.247 4.595 83 HD21 LEU 9 HD21 LEU 9 14.819 -2.793 3.842 84 HD22 LEU 9 HD22 LEU 9 14.236 -2.366 5.450 85 HD23 LEU 9 HD23 LEU 9 15.887 -1.963 4.975 86 H GLY 10 HN GLY 10 10.739 -0.373 2.390 87 HA2 GLY 10 HA2 GLY 10 8.384 0.034 3.928 88 HA3 GLY 10 HA1 GLY 10 8.463 0.157 2.171 89 H ARG 11 HN ARG 11 9.490 -2.723 2.134 90 HA ARG 11 HA ARG 11 6.923 -4.011 1.748 91 HB2 ARG 11 HB2 ARG 11 9.703 -5.204 2.004 92 HB3 ARG 11 HB1 ARG 11 8.322 -5.922 1.176 93 HG2 ARG 11 HG2 ARG 11 9.843 -3.424 0.386 94 HG3 ARG 11 HG1 ARG 11 9.722 -4.934 -0.513 95 HD2 ARG 11 HD2 ARG 11 8.072 -3.763 -1.625 96 HD3 ARG 11 HD1 ARG 11 7.083 -4.337 -0.267 97 HE ARG 11 HE ARG 11 8.546 -1.872 0.321 98 HH11 ARG 11 HH11 ARG 11 7.310 -0.019 0.617 99 HH12 ARG 11 HH12 ARG 11 5.648 -0.005 0.131 100 HH21 ARG 11 HH21 ARG 11 5.663 -3.263 -1.038 101 HH22 ARG 11 HH22 ARG 11 4.725 -1.830 -0.799 102 H ILE 12 HN ILE 12 9.065 -3.624 4.452 103 HA ILE 12 HA ILE 12 7.553 -5.710 5.989 104 HB ILE 12 HB ILE 12 10.072 -4.689 7.100 105 HG12 ILE 12 HG12 ILE 12 10.016 -5.922 4.340 106 HG13 ILE 12 HG11 ILE 12 10.789 -4.417 4.833 107 HG21 ILE 12 HG21 ILE 12 10.216 -6.836 7.842 108 HG22 ILE 12 HG22 ILE 12 9.815 -7.507 6.261 109 HG23 ILE 12 HG23 ILE 12 8.531 -6.942 7.330 110 HD11 ILE 12 HD11 ILE 12 12.186 -5.873 6.439 111 HD12 ILE 12 HD12 ILE 12 12.568 -5.978 4.720 112 HD13 ILE 12 HD13 ILE 12 11.615 -7.246 5.489 113 H LEU 13 HN LEU 13 8.695 -2.382 5.895 114 HA LEU 13 HA LEU 13 7.745 -1.767 8.601 115 HB2 LEU 13 HB2 LEU 13 9.252 -0.540 6.347 116 HB3 LEU 13 HB1 LEU 13 8.471 0.554 7.472 117 HG LEU 13 HG LEU 13 9.602 -1.217 9.196 118 HD11 LEU 13 HD11 LEU 13 11.722 -1.946 8.439 119 HD12 LEU 13 HD12 LEU 13 11.685 -0.870 7.042 120 HD13 LEU 13 HD13 LEU 13 10.642 -2.293 7.087 121 HD21 LEU 13 HD21 LEU 13 11.217 0.500 9.657 122 HD22 LEU 13 HD22 LEU 13 9.761 1.321 9.094 123 HD23 LEU 13 HD23 LEU 13 11.131 1.107 8.005 Start of MODEL 19 1 H1 PHE 1 HT1 PHE 1 13.143 12.153 -0.558 2 H2 PHE 1 HT2 PHE 1 11.642 12.887 -0.247 3 H3 PHE 1 HT3 PHE 1 11.922 12.115 -1.735 4 HA PHE 1 HA PHE 1 11.524 10.876 0.927 5 HB2 PHE 1 HB2 PHE 1 10.329 10.389 -1.817 6 HB3 PHE 1 HB1 PHE 1 9.712 9.809 -0.269 7 HD1 PHE 1 HD1 PHE 1 10.079 12.725 -2.484 8 HD2 PHE 1 HD2 PHE 1 8.602 11.327 1.299 9 HE1 PHE 1 HE1 PHE 1 8.767 14.813 -2.226 10 HE2 PHE 1 HE2 PHE 1 7.289 13.416 1.558 11 HZ PHE 1 HZ PHE 1 7.372 15.158 -0.205 12 H VAL 2 HN VAL 2 11.195 8.290 0.019 13 HA VAL 2 HA VAL 2 13.735 7.574 -1.383 14 HB VAL 2 HB VAL 2 13.538 5.705 0.627 15 HG11 VAL 2 HG11 VAL 2 15.619 6.739 0.096 16 HG12 VAL 2 HG12 VAL 2 15.293 7.186 1.770 17 HG13 VAL 2 HG13 VAL 2 15.000 8.347 0.475 18 HG21 VAL 2 HG21 VAL 2 12.792 8.385 1.830 19 HG22 VAL 2 HG22 VAL 2 13.020 6.863 2.690 20 HG23 VAL 2 HG23 VAL 2 11.649 7.062 1.598 21 H GLN 3 HN GLN 3 13.069 6.324 -3.086 22 HA GLN 3 HA GLN 3 10.621 4.645 -2.781 23 HB2 GLN 3 HB2 GLN 3 10.501 4.785 -5.151 24 HB3 GLN 3 HB1 GLN 3 11.068 6.378 -4.648 25 HG2 GLN 3 HG2 GLN 3 13.427 5.568 -5.020 26 HG3 GLN 3 HG1 GLN 3 12.752 4.090 -5.706 27 HE21 GLN 3 HE21 GLN 3 12.009 7.616 -6.071 28 HE22 GLN 3 HE22 GLN 3 11.998 7.581 -7.769 29 H TRP 4 HN TRP 4 14.081 4.461 -3.525 30 HA TRP 4 HA TRP 4 14.023 1.599 -4.138 31 HB2 TRP 4 HB2 TRP 4 15.773 3.840 -4.357 32 HB3 TRP 4 HB1 TRP 4 16.617 2.605 -3.422 33 HD1 TRP 4 HD1 TRP 4 16.195 -0.009 -4.602 34 HE1 TRP 4 HE1 TRP 4 16.593 -0.610 -7.077 35 HE3 TRP 4 HE3 TRP 4 15.950 4.646 -6.692 36 HZ2 TRP 4 HZ2 TRP 4 16.782 0.710 -9.609 37 HZ3 TRP 4 HZ3 TRP 4 16.243 4.944 -9.134 38 HH2 TRP 4 HH2 TRP 4 16.658 2.983 -10.594 39 H PHE 5 HN PHE 5 14.698 3.623 -1.314 40 HA PHE 5 HA PHE 5 15.716 1.402 0.305 41 HB2 PHE 5 HB2 PHE 5 16.205 3.959 0.390 42 HB3 PHE 5 HB1 PHE 5 14.693 4.064 1.292 43 HD1 PHE 5 HD1 PHE 5 15.007 4.159 3.592 44 HD2 PHE 5 HD2 PHE 5 17.615 1.695 1.229 45 HE1 PHE 5 HE1 PHE 5 16.183 3.432 5.649 46 HE2 PHE 5 HE2 PHE 5 18.792 0.968 3.288 47 HZ PHE 5 HZ PHE 5 18.075 1.836 5.499 48 H SER 6 HN SER 6 12.607 2.800 -0.424 49 HA SER 6 HA SER 6 11.307 1.563 1.936 50 HB2 SER 6 HB2 SER 6 10.904 3.860 0.552 51 HB3 SER 6 HB1 SER 6 9.757 2.806 -0.276 52 HG SER 6 HG SER 6 9.080 3.990 1.733 53 H LYS 7 HN LYS 7 11.873 0.926 -1.444 54 HA LYS 7 HA LYS 7 9.686 -0.877 -1.949 55 HB2 LYS 7 HB2 LYS 7 12.265 -0.047 -3.131 56 HB3 LYS 7 HB1 LYS 7 11.742 -1.669 -3.579 57 HG2 LYS 7 HG2 LYS 7 9.419 -0.126 -3.747 58 HG3 LYS 7 HG1 LYS 7 10.676 0.911 -4.421 59 HD2 LYS 7 HD2 LYS 7 11.311 -1.486 -5.567 60 HD3 LYS 7 HD1 LYS 7 9.555 -1.619 -5.465 61 HE2 LYS 7 HE2 LYS 7 9.281 0.490 -6.674 62 HE3 LYS 7 HE1 LYS 7 11.038 0.741 -6.685 63 HZ1 LYS 7 HZ1 LYS 7 11.296 -0.744 -8.322 64 HZ2 LYS 7 HZ2 LYS 7 9.616 -0.647 -8.560 65 HZ3 LYS 7 HZ3 LYS 7 10.268 -1.874 -7.583 66 H PHE 8 HN PHE 8 12.678 -1.208 -0.206 67 HA PHE 8 HA PHE 8 12.389 -4.185 -0.157 68 HB2 PHE 8 HB2 PHE 8 14.536 -2.386 -0.530 69 HB3 PHE 8 HB1 PHE 8 14.777 -3.096 1.063 70 HD1 PHE 8 HD1 PHE 8 14.825 -3.670 -2.524 71 HD2 PHE 8 HD2 PHE 8 14.842 -5.601 1.313 72 HE1 PHE 8 HE1 PHE 8 15.625 -5.765 -3.582 73 HE2 PHE 8 HE2 PHE 8 15.642 -7.697 0.255 74 HZ PHE 8 HZ PHE 8 16.033 -7.779 -2.193 75 H LEU 9 HN LEU 9 12.547 -1.273 1.828 76 HA LEU 9 HA LEU 9 12.378 -2.823 4.342 77 HB2 LEU 9 HB2 LEU 9 12.308 0.164 3.809 78 HB3 LEU 9 HB1 LEU 9 12.669 -0.626 5.341 79 HG LEU 9 HG LEU 9 14.308 -0.918 2.811 80 HD11 LEU 9 HD11 LEU 9 15.416 0.939 3.438 81 HD12 LEU 9 HD12 LEU 9 15.694 0.259 5.042 82 HD13 LEU 9 HD13 LEU 9 14.227 1.184 4.718 83 HD21 LEU 9 HD21 LEU 9 14.342 -2.186 5.510 84 HD22 LEU 9 HD22 LEU 9 15.903 -1.766 4.803 85 HD23 LEU 9 HD23 LEU 9 14.813 -2.857 3.948 86 H GLY 10 HN GLY 10 10.455 -0.363 2.591 87 HA2 GLY 10 HA2 GLY 10 8.227 -0.245 4.288 88 HA3 GLY 10 HA1 GLY 10 8.124 -0.036 2.540 89 H ARG 11 HN ARG 11 9.236 -2.819 2.163 90 HA ARG 11 HA ARG 11 6.705 -4.218 2.053 91 HB2 ARG 11 HB2 ARG 11 7.921 -5.705 0.785 92 HB3 ARG 11 HB1 ARG 11 8.983 -4.303 0.685 93 HG2 ARG 11 HG2 ARG 11 10.239 -5.176 2.660 94 HG3 ARG 11 HG1 ARG 11 9.240 -6.631 2.605 95 HD2 ARG 11 HD2 ARG 11 10.181 -6.136 -0.037 96 HD3 ARG 11 HD1 ARG 11 11.578 -6.047 1.056 97 HE ARG 11 HE ARG 11 9.968 -8.431 0.526 98 HH11 ARG 11 HH11 ARG 11 10.557 -10.299 1.629 99 HH12 ARG 11 HH12 ARG 11 11.615 -10.192 2.997 100 HH21 ARG 11 HH21 ARG 11 11.951 -6.751 2.834 101 HH22 ARG 11 HH22 ARG 11 12.396 -8.197 3.671 102 H ILE 12 HN ILE 12 9.221 -3.956 4.438 103 HA ILE 12 HA ILE 12 8.166 -6.335 5.919 104 HB ILE 12 HB ILE 12 10.543 -4.792 6.841 105 HG12 ILE 12 HG12 ILE 12 10.451 -6.333 4.243 106 HG13 ILE 12 HG11 ILE 12 11.002 -4.677 4.492 107 HG21 ILE 12 HG21 ILE 12 11.337 -6.948 7.440 108 HG22 ILE 12 HG22 ILE 12 10.248 -7.749 6.307 109 HG23 ILE 12 HG23 ILE 12 9.605 -7.001 7.768 110 HD11 ILE 12 HD11 ILE 12 12.787 -5.643 6.036 111 HD12 ILE 12 HD12 ILE 12 12.981 -6.012 4.322 112 HD13 ILE 12 HD13 ILE 12 12.331 -7.231 5.419 113 H LEU 13 HN LEU 13 8.598 -2.852 6.038 114 HA LEU 13 HA LEU 13 7.876 -2.551 8.834 115 HB2 LEU 13 HB2 LEU 13 8.420 -0.873 6.409 116 HB3 LEU 13 HB1 LEU 13 7.761 -0.123 7.847 117 HG LEU 13 HG LEU 13 9.721 -1.571 8.980 118 HD11 LEU 13 HD11 LEU 13 10.482 -2.512 6.841 119 HD12 LEU 13 HD12 LEU 13 11.725 -1.458 7.519 120 HD13 LEU 13 HD13 LEU 13 10.709 -0.885 6.197 121 HD21 LEU 13 HD21 LEU 13 10.649 0.468 9.425 122 HD22 LEU 13 HD22 LEU 13 9.211 1.076 8.608 123 HD23 LEU 13 HD23 LEU 13 10.725 0.913 7.720 Start of MODEL 20 1 H1 PHE 1 HT1 PHE 1 12.845 12.167 0.696 2 H2 PHE 1 HT2 PHE 1 13.213 10.718 1.505 3 H3 PHE 1 HT3 PHE 1 11.821 11.599 1.923 4 HA PHE 1 HA PHE 1 10.764 10.146 0.575 5 HB2 PHE 1 HB2 PHE 1 12.151 12.177 -1.184 6 HB3 PHE 1 HB1 PHE 1 10.943 11.065 -1.830 7 HD1 PHE 1 HD1 PHE 1 8.599 11.155 -1.050 8 HD2 PHE 1 HD2 PHE 1 11.536 13.977 0.316 9 HE1 PHE 1 HE1 PHE 1 6.791 12.622 -0.194 10 HE2 PHE 1 HE2 PHE 1 9.728 15.443 1.172 11 HZ PHE 1 HZ PHE 1 7.356 14.766 0.918 12 H VAL 2 HN VAL 2 11.355 8.024 0.308 13 HA VAL 2 HA VAL 2 13.647 7.431 -1.529 14 HB VAL 2 HB VAL 2 13.534 5.428 0.457 15 HG11 VAL 2 HG11 VAL 2 15.369 7.828 0.175 16 HG12 VAL 2 HG12 VAL 2 15.556 6.285 -0.656 17 HG13 VAL 2 HG13 VAL 2 15.733 6.368 1.095 18 HG21 VAL 2 HG21 VAL 2 13.699 6.701 2.543 19 HG22 VAL 2 HG22 VAL 2 12.137 7.005 1.783 20 HG23 VAL 2 HG23 VAL 2 13.422 8.208 1.668 21 H GLN 3 HN GLN 3 12.759 6.303 -3.217 22 HA GLN 3 HA GLN 3 10.377 4.575 -2.711 23 HB2 GLN 3 HB2 GLN 3 9.922 4.898 -5.021 24 HB3 GLN 3 HB1 GLN 3 10.545 6.457 -4.481 25 HG2 GLN 3 HG2 GLN 3 12.848 5.651 -5.218 26 HG3 GLN 3 HG1 GLN 3 12.030 4.294 -5.992 27 HE21 GLN 3 HE21 GLN 3 12.522 7.797 -6.135 28 HE22 GLN 3 HE22 GLN 3 11.808 8.014 -7.660 29 H TRP 4 HN TRP 4 13.712 4.526 -3.864 30 HA TRP 4 HA TRP 4 13.620 1.738 -4.749 31 HB2 TRP 4 HB2 TRP 4 15.411 4.038 -4.739 32 HB3 TRP 4 HB1 TRP 4 16.270 2.553 -4.331 33 HD1 TRP 4 HD1 TRP 4 14.901 0.442 -6.071 34 HE1 TRP 4 HE1 TRP 4 15.032 0.514 -8.644 35 HE3 TRP 4 HE3 TRP 4 16.003 5.380 -6.757 36 HZ2 TRP 4 HZ2 TRP 4 15.538 2.417 -10.720 37 HZ3 TRP 4 HZ3 TRP 4 16.304 6.296 -9.040 38 HH2 TRP 4 HH2 TRP 4 16.073 4.822 -11.021 39 H PHE 5 HN PHE 5 14.487 3.490 -1.814 40 HA PHE 5 HA PHE 5 15.683 1.116 -0.539 41 HB2 PHE 5 HB2 PHE 5 16.309 3.620 -0.292 42 HB3 PHE 5 HB1 PHE 5 14.894 3.730 0.754 43 HD1 PHE 5 HD1 PHE 5 15.270 3.454 3.030 44 HD2 PHE 5 HD2 PHE 5 17.811 1.414 0.232 45 HE1 PHE 5 HE1 PHE 5 16.587 2.513 4.911 46 HE2 PHE 5 HE2 PHE 5 19.126 0.472 2.111 47 HZ PHE 5 HZ PHE 5 18.514 1.022 4.451 48 H SER 6 HN SER 6 12.613 2.852 -0.569 49 HA SER 6 HA SER 6 11.482 1.620 1.790 50 HB2 SER 6 HB2 SER 6 9.424 2.604 0.928 51 HB3 SER 6 HB1 SER 6 10.746 3.735 0.644 52 HG SER 6 HG SER 6 9.389 3.401 -1.199 53 H LYS 7 HN LYS 7 11.878 0.617 -1.529 54 HA LYS 7 HA LYS 7 9.824 -1.345 -1.749 55 HB2 LYS 7 HB2 LYS 7 12.604 -1.029 -2.899 56 HB3 LYS 7 HB1 LYS 7 11.501 -2.298 -3.432 57 HG2 LYS 7 HG2 LYS 7 10.264 0.368 -3.338 58 HG3 LYS 7 HG1 LYS 7 11.603 0.256 -4.480 59 HD2 LYS 7 HD2 LYS 7 10.037 -2.122 -4.725 60 HD3 LYS 7 HD1 LYS 7 8.940 -0.743 -4.778 61 HE2 LYS 7 HE2 LYS 7 9.955 0.153 -6.697 62 HE3 LYS 7 HE1 LYS 7 11.485 -0.696 -6.399 63 HZ1 LYS 7 HZ1 LYS 7 10.391 -1.929 -8.072 64 HZ2 LYS 7 HZ2 LYS 7 8.891 -1.843 -7.277 65 HZ3 LYS 7 HZ3 LYS 7 10.137 -2.808 -6.642 66 H PHE 8 HN PHE 8 12.809 -1.329 0.050 67 HA PHE 8 HA PHE 8 12.529 -4.261 0.612 68 HB2 PHE 8 HB2 PHE 8 14.674 -2.505 -0.119 69 HB3 PHE 8 HB1 PHE 8 14.991 -3.123 1.497 70 HD1 PHE 8 HD1 PHE 8 15.391 -3.802 -1.924 71 HD2 PHE 8 HD2 PHE 8 14.423 -5.736 1.788 72 HE1 PHE 8 HE1 PHE 8 16.065 -5.985 -2.887 73 HE2 PHE 8 HE2 PHE 8 15.097 -7.920 0.825 74 HZ PHE 8 HZ PHE 8 15.918 -8.045 -1.512 75 H LEU 9 HN LEU 9 12.600 -1.033 1.922 76 HA LEU 9 HA LEU 9 12.783 -1.917 4.723 77 HB2 LEU 9 HB2 LEU 9 13.947 0.045 4.308 78 HB3 LEU 9 HB1 LEU 9 12.840 0.563 3.057 79 HG LEU 9 HG LEU 9 11.170 1.116 4.717 80 HD11 LEU 9 HD11 LEU 9 13.237 0.354 6.796 81 HD12 LEU 9 HD12 LEU 9 11.874 -0.672 6.351 82 HD13 LEU 9 HD13 LEU 9 11.587 0.899 7.098 83 HD21 LEU 9 HD21 LEU 9 13.223 2.549 6.101 84 HD22 LEU 9 HD22 LEU 9 12.154 3.134 4.825 85 HD23 LEU 9 HD23 LEU 9 13.697 2.386 4.410 86 H GLY 10 HN GLY 10 10.566 -0.003 2.692 87 HA2 GLY 10 HA2 GLY 10 8.396 -0.027 4.580 88 HA3 GLY 10 HA1 GLY 10 8.236 0.334 2.861 89 H ARG 11 HN ARG 11 9.519 -2.305 2.201 90 HA ARG 11 HA ARG 11 7.144 -3.886 1.904 91 HB2 ARG 11 HB2 ARG 11 8.559 -4.830 0.430 92 HB3 ARG 11 HB1 ARG 11 9.851 -3.812 1.059 93 HG2 ARG 11 HG2 ARG 11 10.389 -5.480 2.755 94 HG3 ARG 11 HG1 ARG 11 9.034 -6.482 2.233 95 HD2 ARG 11 HD2 ARG 11 10.259 -6.211 -0.136 96 HD3 ARG 11 HD1 ARG 11 11.675 -6.042 0.918 97 HE ARG 11 HE ARG 11 10.314 -8.190 2.007 98 HH11 ARG 11 HH11 ARG 11 10.662 -10.330 1.404 99 HH12 ARG 11 HH12 ARG 11 11.267 -10.689 -0.178 100 HH21 ARG 11 HH21 ARG 11 11.444 -7.378 -1.177 101 HH22 ARG 11 HH22 ARG 11 11.707 -9.028 -1.627 102 H ILE 12 HN ILE 12 9.410 -3.532 4.504 103 HA ILE 12 HA ILE 12 8.680 -6.125 5.752 104 HB ILE 12 HB ILE 12 10.318 -3.964 7.048 105 HG12 ILE 12 HG12 ILE 12 11.048 -5.516 4.576 106 HG13 ILE 12 HG11 ILE 12 11.284 -3.803 4.910 107 HG21 ILE 12 HG21 ILE 12 9.747 -6.408 7.882 108 HG22 ILE 12 HG22 ILE 12 11.365 -5.745 8.116 109 HG23 ILE 12 HG23 ILE 12 11.052 -6.860 6.786 110 HD11 ILE 12 HD11 ILE 12 12.762 -6.133 6.159 111 HD12 ILE 12 HD12 ILE 12 12.884 -4.474 6.746 112 HD13 ILE 12 HD13 ILE 12 13.435 -4.876 5.119 113 H LEU 13 HN LEU 13 8.078 -2.679 6.024 114 HA LEU 13 HA LEU 13 6.703 -2.855 8.593 115 HB2 LEU 13 HB2 LEU 13 7.382 -0.823 6.489 116 HB3 LEU 13 HB1 LEU 13 6.288 -0.407 7.789 117 HG LEU 13 HG LEU 13 8.235 -1.555 9.233 118 HD11 LEU 13 HD11 LEU 13 9.644 -0.342 6.838 119 HD12 LEU 13 HD12 LEU 13 9.580 -2.063 7.217 120 HD13 LEU 13 HD13 LEU 13 10.427 -0.954 8.295 121 HD21 LEU 13 HD21 LEU 13 9.004 1.176 8.478 122 HD22 LEU 13 HD22 LEU 13 8.486 0.550 10.043 123 HD23 LEU 13 HD23 LEU 13 7.284 1.008 8.836
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