NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
633483 | 6ak0 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H1 CYS 1 -3.900 0.402 2.728 2 HA CYS 1 HA CYS 1 -5.055 -1.889 1.562 3 HB2 CYS 1 HB2 CYS 1 -5.886 -2.519 3.639 4 HB3 CYS 1 HB3 CYS 1 -6.000 -0.861 4.213 5 H LEU 2 H LEU 2 -5.248 -0.735 -0.303 6 HA LEU 2 HA LEU 2 -7.283 1.344 -0.333 7 HB2 LEU 2 HB2 LEU 2 -4.627 1.818 -1.668 8 HB3 LEU 2 HB3 LEU 2 -5.962 2.944 -1.508 9 HG LEU 2 HG LEU 2 -4.403 1.894 0.849 10 HD11 LEU 2 HD11 LEU 2 -3.074 3.838 0.822 11 HD12 LEU 2 HD12 LEU 2 -4.049 4.579 -0.447 12 HD13 LEU 2 HD13 LEU 2 -3.022 3.194 -0.819 13 HD21 LEU 2 HD21 LEU 2 -5.665 3.240 2.146 14 HD22 LEU 2 HD22 LEU 2 -6.833 3.051 0.838 15 HD23 LEU 2 HD23 LEU 2 -5.807 4.484 0.904 16 H GLY 3 H GLY 3 -7.664 2.050 -2.710 17 HA2 GLY 3 HA2 GLY 3 -8.190 -0.370 -4.185 18 HA3 GLY 3 HA3 GLY 3 -8.661 1.259 -4.646 19 H VAL 4 H VAL 4 -5.419 1.323 -3.918 20 HA VAL 4 HA VAL 4 -4.733 1.362 -6.748 21 HB VAL 4 HB VAL 4 -2.835 1.944 -4.485 22 HG11 VAL 4 HG11 VAL 4 -2.074 3.614 -6.343 23 HG12 VAL 4 HG12 VAL 4 -2.953 2.520 -7.411 24 HG13 VAL 4 HG13 VAL 4 -1.613 1.915 -6.437 25 HG21 VAL 4 HG21 VAL 4 -4.329 3.519 -3.851 26 HG22 VAL 4 HG22 VAL 4 -5.150 3.523 -5.412 27 HG23 VAL 4 HG23 VAL 4 -3.636 4.405 -5.209 28 H GLY 5 H GLY 5 -2.634 0.366 -7.428 29 HA2 GLY 5 HA2 GLY 5 -2.085 -2.130 -5.961 30 HA3 GLY 5 HA3 GLY 5 -2.386 -2.158 -7.691 31 H SER 6 H SER 6 -0.533 0.321 -6.002 32 HA SER 6 HA SER 6 1.756 -0.300 -7.694 33 HB2 SER 6 HB2 SER 6 0.749 2.080 -7.063 34 HB3 SER 6 HB3 SER 6 1.832 1.905 -5.683 35 HG SER 6 HG SER 6 3.006 2.872 -7.278 36 H CYS 7 H CYS 7 0.784 -0.345 -4.342 37 HA CYS 7 HA CYS 7 3.032 -2.066 -3.688 38 HB2 CYS 7 HB2 CYS 7 3.344 0.592 -3.178 39 HB3 CYS 7 HB3 CYS 7 2.593 0.057 -1.679 40 H VAL 8 H VAL 8 2.609 -1.994 -0.869 41 HA VAL 8 HA VAL 8 -0.216 -2.749 -0.610 42 HB VAL 8 HB VAL 8 1.948 -4.418 0.610 43 HG11 VAL 8 HG11 VAL 8 -0.472 -5.809 0.028 44 HG12 VAL 8 HG12 VAL 8 -0.841 -4.327 0.906 45 HG13 VAL 8 HG13 VAL 8 0.285 -5.496 1.589 46 HG21 VAL 8 HG21 VAL 8 0.919 -4.467 -2.152 47 HG22 VAL 8 HG22 VAL 8 1.041 -6.027 -1.337 48 HG23 VAL 8 HG23 VAL 8 2.470 -5.008 -1.510 49 H ASP 9 H ASP 9 -1.069 -2.595 1.433 50 HA ASP 9 HA ASP 9 0.501 -0.973 3.311 51 HB2 ASP 9 HB2 ASP 9 -1.807 -0.455 4.299 52 HB3 ASP 9 HB3 ASP 9 -1.427 0.248 2.732 53 H PHE 10 H PHE 10 -0.880 -4.050 2.874 54 HA PHE 10 HA PHE 10 -1.082 -5.882 4.195 55 HB2 PHE 10 HB2 PHE 10 0.556 -4.884 6.421 56 HB3 PHE 10 HB3 PHE 10 0.744 -6.336 5.447 57 HD1 PHE 10 HD1 PHE 10 2.107 -3.202 6.234 58 HD2 PHE 10 HD2 PHE 10 1.615 -5.930 3.005 59 HE1 PHE 10 HE1 PHE 10 4.006 -2.159 5.069 60 HE2 PHE 10 HE2 PHE 10 3.514 -4.892 1.834 61 HZ PHE 10 HZ PHE 10 4.713 -3.004 2.867 62 H ALA 11 H ALA 11 -2.909 -3.639 4.563 63 HA ALA 11 HA ALA 11 -3.558 -3.828 7.410 64 HB1 ALA 11 HB1 ALA 11 -4.404 -1.957 5.228 65 HB2 ALA 11 HB2 ALA 11 -3.622 -1.590 6.765 66 HB3 ALA 11 HB3 ALA 11 -5.318 -2.074 6.732 67 H GLY 12 H GLY 12 -3.939 -6.018 5.468 68 HA2 GLY 12 HA2 GLY 12 -5.592 -7.725 5.729 69 HA3 GLY 12 HA3 GLY 12 -6.787 -6.476 6.043 70 H CYS 13 H CYS 13 -5.994 -4.812 3.816 71 HA CYS 13 HA CYS 13 -7.457 -6.208 1.740 72 HB2 CYS 13 HB2 CYS 13 -6.303 -3.416 1.650 73 HB3 CYS 13 HB3 CYS 13 -7.569 -4.079 0.621 74 H GLY 14 H GLY 14 -4.237 -4.888 2.293 75 HA2 GLY 14 HA2 GLY 14 -2.240 -5.640 1.401 76 HA3 GLY 14 HA3 GLY 14 -3.140 -6.716 0.348 77 H TYR 15 H TYR 15 -3.421 -3.178 0.649 78 HA TYR 15 HA TYR 15 -2.087 -2.836 -1.906 79 HB2 TYR 15 HB2 TYR 15 -5.019 -2.256 -1.520 80 HB3 TYR 15 HB3 TYR 15 -4.067 -1.522 -2.805 81 HD1 TYR 15 HD1 TYR 15 -2.843 -3.129 -4.410 82 HD2 TYR 15 HD2 TYR 15 -6.011 -4.340 -1.842 83 HE1 TYR 15 HE1 TYR 15 -3.228 -5.102 -5.826 84 HE2 TYR 15 HE2 TYR 15 -6.405 -6.317 -3.250 85 HH TYR 15 HH TYR 15 -5.021 -6.680 -6.338 86 H ALA 16 H ALA 16 -0.855 -1.128 -1.798 87 HA ALA 16 HA ALA 16 -1.725 1.256 -0.326 88 HB1 ALA 16 HB1 ALA 16 0.992 -0.016 -0.061 89 HB2 ALA 16 HB2 ALA 16 -0.254 0.053 1.186 90 HB3 ALA 16 HB3 ALA 16 0.513 1.537 0.623 91 H VAL 17 H VAL 17 -1.016 3.192 -1.149 92 HA VAL 17 HA VAL 17 -0.023 3.071 -3.885 93 HB VAL 17 HB VAL 17 -0.539 5.689 -2.561 94 HG11 VAL 17 HG11 VAL 17 -1.796 5.774 -4.926 95 HG12 VAL 17 HG12 VAL 17 -0.613 4.512 -5.267 96 HG13 VAL 17 HG13 VAL 17 -0.075 6.104 -4.733 97 HG21 VAL 17 HG21 VAL 17 -2.526 4.983 -1.777 98 HG22 VAL 17 HG22 VAL 17 -2.555 3.561 -2.819 99 HG23 VAL 17 HG23 VAL 17 -3.028 5.135 -3.459 100 H VAL 18 H VAL 18 1.371 3.005 -0.966 101 HA VAL 18 HA VAL 18 3.826 4.223 -1.981 102 HB VAL 18 HB VAL 18 2.969 4.858 0.828 103 HG11 VAL 18 HG11 VAL 18 5.250 5.447 -0.895 104 HG12 VAL 18 HG12 VAL 18 5.116 5.483 0.863 105 HG13 VAL 18 HG13 VAL 18 4.586 6.868 -0.090 106 HG21 VAL 18 HG21 VAL 18 2.416 7.158 -0.086 107 HG22 VAL 18 HG22 VAL 18 1.250 5.880 -0.431 108 HG23 VAL 18 HG23 VAL 18 2.377 6.408 -1.681 109 H CYS 19 H CYS 19 5.727 3.509 -0.894 110 HA CYS 19 HA CYS 19 5.331 1.015 0.625 111 HB2 CYS 19 HB2 CYS 19 7.760 1.627 -1.050 112 HB3 CYS 19 HB3 CYS 19 7.236 0.070 -0.418 113 H PHE 20 H PHE 20 6.589 4.155 0.724 114 HA PHE 20 HA PHE 20 8.635 3.551 2.698 115 HB2 PHE 20 HB2 PHE 20 7.770 6.323 1.927 116 HB3 PHE 20 HB3 PHE 20 9.348 5.772 2.476 117 HD1 PHE 20 HD1 PHE 20 9.775 3.457 0.684 118 HD2 PHE 20 HD2 PHE 20 8.214 7.334 -0.114 119 HE1 PHE 20 HE1 PHE 20 10.521 3.272 -1.654 120 HE2 PHE 20 HE2 PHE 20 8.956 7.156 -2.453 121 HZ PHE 20 HZ PHE 20 10.111 5.123 -3.226 122 H DTR 21 H DTR 21 5.324 4.280 2.631 123 HA DTR 21 HA DTR 21 3.835 5.151 4.151 124 HB2 DTR 21 HB2 DTR 21 4.558 6.044 6.336 125 HB3 DTR 21 HB3 DTR 21 6.210 5.561 5.984 126 HD1 DTR 21 HD1 DTR 21 7.490 6.962 4.019 127 HE1 DTR 21 HE1 DTR 21 7.125 9.364 3.173 128 HZ2 DTR 21 HZ2 DTR 21 5.124 11.351 3.299 129 HH2 DTR 21 HH2 DTR 21 2.882 11.715 4.234 130 HZ3 DTR 21 HZ3 DTR 21 1.753 9.975 5.522 131 HE3 DTR 21 HE3 DTR 21 2.821 7.796 5.930 Start of MODEL 2 1 H1 CYS 1 H1 CYS 1 -3.973 0.323 2.608 2 HA CYS 1 HA CYS 1 -5.150 -1.907 1.394 3 HB2 CYS 1 HB2 CYS 1 -5.979 -2.504 3.537 4 HB3 CYS 1 HB3 CYS 1 -6.326 -0.831 3.955 5 H LEU 2 H LEU 2 -5.319 -0.743 -0.451 6 HA LEU 2 HA LEU 2 -7.255 1.435 -0.479 7 HB2 LEU 2 HB2 LEU 2 -4.455 1.678 -1.573 8 HB3 LEU 2 HB3 LEU 2 -5.754 2.797 -1.940 9 HG LEU 2 HG LEU 2 -5.109 2.335 0.927 10 HD11 LEU 2 HD11 LEU 2 -3.498 4.461 0.258 11 HD12 LEU 2 HD12 LEU 2 -3.184 3.297 -1.028 12 HD13 LEU 2 HD13 LEU 2 -2.955 2.832 0.657 13 HD21 LEU 2 HD21 LEU 2 -6.870 3.925 -0.328 14 HD22 LEU 2 HD22 LEU 2 -5.486 5.016 -0.247 15 HD23 LEU 2 HD23 LEU 2 -6.147 4.318 1.231 16 H GLY 3 H GLY 3 -7.650 2.124 -2.852 17 HA2 GLY 3 HA2 GLY 3 -8.236 -0.303 -4.311 18 HA3 GLY 3 HA3 GLY 3 -8.719 1.326 -4.757 19 H VAL 4 H VAL 4 -5.486 1.454 -4.101 20 HA VAL 4 HA VAL 4 -4.836 1.428 -6.945 21 HB VAL 4 HB VAL 4 -2.971 2.199 -4.709 22 HG11 VAL 4 HG11 VAL 4 -3.098 2.733 -7.660 23 HG12 VAL 4 HG12 VAL 4 -1.792 2.006 -6.724 24 HG13 VAL 4 HG13 VAL 4 -2.131 3.730 -6.574 25 HG21 VAL 4 HG21 VAL 4 -4.516 3.762 -4.189 26 HG22 VAL 4 HG22 VAL 4 -5.331 3.629 -5.747 27 HG23 VAL 4 HG23 VAL 4 -3.854 4.582 -5.603 28 H GLY 5 H GLY 5 -2.727 0.477 -7.624 29 HA2 GLY 5 HA2 GLY 5 -2.100 -1.954 -6.070 30 HA3 GLY 5 HA3 GLY 5 -2.306 -1.999 -7.813 31 H SER 6 H SER 6 -0.621 0.486 -5.934 32 HA SER 6 HA SER 6 1.752 0.040 -7.565 33 HB2 SER 6 HB2 SER 6 0.595 2.336 -6.701 34 HB3 SER 6 HB3 SER 6 1.809 2.105 -5.443 35 HG SER 6 HG SER 6 3.401 2.123 -6.996 36 H CYS 7 H CYS 7 0.685 -0.185 -4.236 37 HA CYS 7 HA CYS 7 2.921 -1.928 -3.616 38 HB2 CYS 7 HB2 CYS 7 3.243 0.706 -3.002 39 HB3 CYS 7 HB3 CYS 7 2.475 0.118 -1.531 40 H VAL 8 H VAL 8 2.488 -1.989 -0.814 41 HA VAL 8 HA VAL 8 -0.344 -2.744 -0.598 42 HB VAL 8 HB VAL 8 1.817 -4.445 0.584 43 HG11 VAL 8 HG11 VAL 8 0.137 -5.501 1.553 44 HG12 VAL 8 HG12 VAL 8 -0.558 -5.862 -0.027 45 HG13 VAL 8 HG13 VAL 8 -1.000 -4.377 0.812 46 HG21 VAL 8 HG21 VAL 8 2.352 -4.978 -1.547 47 HG22 VAL 8 HG22 VAL 8 0.811 -4.402 -2.185 48 HG23 VAL 8 HG23 VAL 8 0.913 -5.990 -1.423 49 H ASP 9 H ASP 9 -1.220 -2.642 1.429 50 HA ASP 9 HA ASP 9 0.327 -1.078 3.374 51 HB2 ASP 9 HB2 ASP 9 -2.007 -0.712 4.418 52 HB3 ASP 9 HB3 ASP 9 -1.623 0.134 2.926 53 H PHE 10 H PHE 10 -1.061 -4.155 2.843 54 HA PHE 10 HA PHE 10 -1.164 -6.049 4.090 55 HB2 PHE 10 HB2 PHE 10 0.567 -4.874 6.220 56 HB3 PHE 10 HB3 PHE 10 0.597 -6.486 5.516 57 HD1 PHE 10 HD1 PHE 10 1.510 -6.751 3.168 58 HD2 PHE 10 HD2 PHE 10 2.018 -3.209 5.471 59 HE1 PHE 10 HE1 PHE 10 3.387 -6.084 1.722 60 HE2 PHE 10 HE2 PHE 10 3.895 -2.535 4.030 61 HZ PHE 10 HZ PHE 10 4.582 -3.974 2.152 62 H ALA 11 H ALA 11 -3.048 -3.878 4.567 63 HA ALA 11 HA ALA 11 -3.634 -4.173 7.418 64 HB1 ALA 11 HB1 ALA 11 -5.006 -2.285 7.262 65 HB2 ALA 11 HB2 ALA 11 -5.172 -2.439 5.513 66 HB3 ALA 11 HB3 ALA 11 -3.640 -1.913 6.210 67 H GLY 12 H GLY 12 -3.990 -6.312 5.414 68 HA2 GLY 12 HA2 GLY 12 -5.598 -8.072 5.702 69 HA3 GLY 12 HA3 GLY 12 -6.825 -6.850 6.000 70 H CYS 13 H CYS 13 -6.095 -5.173 3.776 71 HA CYS 13 HA CYS 13 -7.525 -6.595 1.709 72 HB2 CYS 13 HB2 CYS 13 -6.326 -3.833 1.497 73 HB3 CYS 13 HB3 CYS 13 -7.674 -4.502 0.582 74 H GLY 14 H GLY 14 -4.354 -5.001 1.994 75 HA2 GLY 14 HA2 GLY 14 -2.349 -5.975 1.191 76 HA3 GLY 14 HA3 GLY 14 -3.296 -6.954 0.085 77 H TYR 15 H TYR 15 -3.608 -3.451 0.510 78 HA TYR 15 HA TYR 15 -2.137 -2.974 -1.945 79 HB2 TYR 15 HB2 TYR 15 -5.039 -2.166 -1.758 80 HB3 TYR 15 HB3 TYR 15 -3.957 -1.907 -3.120 81 HD1 TYR 15 HD1 TYR 15 -5.842 -4.445 -1.225 82 HD2 TYR 15 HD2 TYR 15 -3.523 -3.646 -4.701 83 HE1 TYR 15 HE1 TYR 15 -6.550 -6.595 -2.184 84 HE2 TYR 15 HE2 TYR 15 -4.225 -5.794 -5.670 85 HH TYR 15 HH TYR 15 -6.770 -7.639 -4.403 86 H ALA 16 H ALA 16 -1.051 -1.156 -1.830 87 HA ALA 16 HA ALA 16 -2.082 1.157 -0.391 88 HB1 ALA 16 HB1 ALA 16 -0.777 -0.157 1.261 89 HB2 ALA 16 HB2 ALA 16 -0.141 1.458 0.969 90 HB3 ALA 16 HB3 ALA 16 0.644 0.056 0.243 91 H VAL 17 H VAL 17 -1.203 3.109 -1.038 92 HA VAL 17 HA VAL 17 0.136 3.024 -3.624 93 HB VAL 17 HB VAL 17 -0.708 5.516 -2.151 94 HG11 VAL 17 HG11 VAL 17 0.530 6.201 -3.956 95 HG12 VAL 17 HG12 VAL 17 -1.079 6.139 -4.673 96 HG13 VAL 17 HG13 VAL 17 0.058 4.819 -4.945 97 HG21 VAL 17 HG21 VAL 17 -2.691 5.025 -4.003 98 HG22 VAL 17 HG22 VAL 17 -2.823 4.807 -2.258 99 HG23 VAL 17 HG23 VAL 17 -2.400 3.439 -3.288 100 H VAL 18 H VAL 18 1.097 2.860 -0.538 101 HA VAL 18 HA VAL 18 3.637 4.233 -1.107 102 HB VAL 18 HB VAL 18 2.721 5.725 0.421 103 HG11 VAL 18 HG11 VAL 18 1.759 4.641 2.667 104 HG12 VAL 18 HG12 VAL 18 1.381 3.343 1.536 105 HG13 VAL 18 HG13 VAL 18 0.759 4.968 1.252 106 HG21 VAL 18 HG21 VAL 18 4.940 5.024 1.146 107 HG22 VAL 18 HG22 VAL 18 4.220 3.760 2.144 108 HG23 VAL 18 HG23 VAL 18 3.927 5.457 2.522 109 H CYS 19 H CYS 19 5.443 3.405 0.162 110 HA CYS 19 HA CYS 19 5.061 0.604 0.986 111 HB2 CYS 19 HB2 CYS 19 7.518 1.612 -0.441 112 HB3 CYS 19 HB3 CYS 19 7.078 -0.057 -0.102 113 H PHE 20 H PHE 20 7.061 3.500 1.277 114 HA PHE 20 HA PHE 20 7.883 2.557 3.942 115 HB2 PHE 20 HB2 PHE 20 9.827 4.345 3.378 116 HB3 PHE 20 HB3 PHE 20 9.966 2.623 3.047 117 HD1 PHE 20 HD1 PHE 20 9.183 1.846 0.702 118 HD2 PHE 20 HD2 PHE 20 10.147 5.873 1.678 119 HE1 PHE 20 HE1 PHE 20 9.548 2.331 -1.682 120 HE2 PHE 20 HE2 PHE 20 10.512 6.367 -0.705 121 HZ PHE 20 HZ PHE 20 10.213 4.595 -2.388 122 H DTR 21 H DTR 21 7.955 5.620 2.159 123 HA DTR 21 HA DTR 21 7.658 7.766 2.951 124 HB2 DTR 21 HB2 DTR 21 7.070 8.277 5.194 125 HB3 DTR 21 HB3 DTR 21 6.383 6.680 5.461 126 HD1 DTR 21 HD1 DTR 21 9.692 6.505 3.743 127 HE1 DTR 21 HE1 DTR 21 11.514 5.788 5.413 128 HZ2 DTR 21 HZ2 DTR 21 11.798 5.483 8.205 129 HH2 DTR 21 HH2 DTR 21 10.499 5.744 10.274 130 HZ3 DTR 21 HZ3 DTR 21 8.177 6.499 10.221 131 HE3 DTR 21 HE3 DTR 21 7.057 7.024 8.094 Start of MODEL 3 1 H1 CYS 1 H1 CYS 1 -4.055 0.461 2.573 2 HA CYS 1 HA CYS 1 -5.091 -1.872 1.425 3 HB2 CYS 1 HB2 CYS 1 -5.923 -2.510 3.519 4 HB3 CYS 1 HB3 CYS 1 -6.214 -0.849 4.018 5 H LEU 2 H LEU 2 -5.342 -0.775 -0.449 6 HA LEU 2 HA LEU 2 -7.441 1.227 -0.546 7 HB2 LEU 2 HB2 LEU 2 -4.711 1.790 -1.697 8 HB3 LEU 2 HB3 LEU 2 -6.119 2.830 -1.805 9 HG LEU 2 HG LEU 2 -4.758 2.093 0.786 10 HD11 LEU 2 HD11 LEU 2 -3.856 4.366 0.749 11 HD12 LEU 2 HD12 LEU 2 -4.525 4.602 -0.865 12 HD13 LEU 2 HD13 LEU 2 -3.258 3.404 -0.603 13 HD21 LEU 2 HD21 LEU 2 -6.299 3.337 1.863 14 HD22 LEU 2 HD22 LEU 2 -7.293 2.942 0.461 15 HD23 LEU 2 HD23 LEU 2 -6.452 4.490 0.537 16 H GLY 3 H GLY 3 -7.788 1.900 -2.939 17 HA2 GLY 3 HA2 GLY 3 -8.173 -0.548 -4.406 18 HA3 GLY 3 HA3 GLY 3 -8.679 1.059 -4.904 19 H VAL 4 H VAL 4 -5.463 1.223 -4.069 20 HA VAL 4 HA VAL 4 -4.684 1.263 -6.874 21 HB VAL 4 HB VAL 4 -2.892 1.910 -4.542 22 HG11 VAL 4 HG11 VAL 4 -2.219 3.615 -6.501 23 HG12 VAL 4 HG12 VAL 4 -2.825 2.273 -7.472 24 HG13 VAL 4 HG13 VAL 4 -1.508 2.010 -6.329 25 HG21 VAL 4 HG21 VAL 4 -3.701 4.343 -5.315 26 HG22 VAL 4 HG22 VAL 4 -4.467 3.447 -4.004 27 HG23 VAL 4 HG23 VAL 4 -5.185 3.438 -5.615 28 H GLY 5 H GLY 5 -2.553 0.304 -7.491 29 HA2 GLY 5 HA2 GLY 5 -1.980 -2.160 -5.976 30 HA3 GLY 5 HA3 GLY 5 -2.232 -2.215 -7.713 31 H SER 6 H SER 6 -0.497 0.335 -6.013 32 HA SER 6 HA SER 6 1.860 -0.255 -7.623 33 HB2 SER 6 HB2 SER 6 0.801 2.103 -7.168 34 HB3 SER 6 HB3 SER 6 1.715 2.011 -5.663 35 HG SER 6 HG SER 6 3.398 2.548 -6.778 36 H CYS 7 H CYS 7 0.782 -0.274 -4.303 37 HA CYS 7 HA CYS 7 3.075 -1.887 -3.546 38 HB2 CYS 7 HB2 CYS 7 3.080 0.867 -3.010 39 HB3 CYS 7 HB3 CYS 7 2.629 0.108 -1.487 40 H VAL 8 H VAL 8 2.596 -1.785 -0.751 41 HA VAL 8 HA VAL 8 -0.207 -2.634 -0.523 42 HB VAL 8 HB VAL 8 2.001 -4.186 0.776 43 HG11 VAL 8 HG11 VAL 8 -0.813 -4.197 1.004 44 HG12 VAL 8 HG12 VAL 8 0.356 -5.246 1.800 45 HG13 VAL 8 HG13 VAL 8 -0.329 -5.710 0.244 46 HG21 VAL 8 HG21 VAL 8 2.566 -4.902 -1.277 47 HG22 VAL 8 HG22 VAL 8 1.074 -4.299 -1.999 48 HG23 VAL 8 HG23 VAL 8 1.085 -5.854 -1.168 49 H ASP 9 H ASP 9 -1.107 -2.468 1.497 50 HA ASP 9 HA ASP 9 0.355 -0.732 3.361 51 HB2 ASP 9 HB2 ASP 9 -2.006 -0.324 4.306 52 HB3 ASP 9 HB3 ASP 9 -1.611 0.398 2.752 53 H PHE 10 H PHE 10 -0.927 -3.870 2.981 54 HA PHE 10 HA PHE 10 -1.049 -5.681 4.342 55 HB2 PHE 10 HB2 PHE 10 0.821 -4.037 6.059 56 HB3 PHE 10 HB3 PHE 10 0.493 -5.752 6.279 57 HD1 PHE 10 HD1 PHE 10 1.673 -7.367 5.069 58 HD2 PHE 10 HD2 PHE 10 1.889 -3.281 3.902 59 HE1 PHE 10 HE1 PHE 10 3.481 -7.917 3.492 60 HE2 PHE 10 HE2 PHE 10 3.696 -3.822 2.323 61 HZ PHE 10 HZ PHE 10 4.494 -6.143 2.116 62 H ALA 11 H ALA 11 -2.996 -3.537 4.622 63 HA ALA 11 HA ALA 11 -3.663 -3.663 7.469 64 HB1 ALA 11 HB1 ALA 11 -5.417 -2.136 5.663 65 HB2 ALA 11 HB2 ALA 11 -3.757 -1.554 5.788 66 HB3 ALA 11 HB3 ALA 11 -4.751 -1.701 7.237 67 H GLY 12 H GLY 12 -3.908 -5.932 5.596 68 HA2 GLY 12 HA2 GLY 12 -5.478 -7.712 5.921 69 HA3 GLY 12 HA3 GLY 12 -6.741 -6.510 6.147 70 H CYS 13 H CYS 13 -5.964 -4.924 3.851 71 HA CYS 13 HA CYS 13 -7.312 -6.493 1.820 72 HB2 CYS 13 HB2 CYS 13 -6.285 -3.668 1.550 73 HB3 CYS 13 HB3 CYS 13 -7.558 -4.448 0.617 74 H GLY 14 H GLY 14 -4.212 -4.835 2.251 75 HA2 GLY 14 HA2 GLY 14 -2.146 -5.615 1.483 76 HA3 GLY 14 HA3 GLY 14 -2.981 -6.743 0.431 77 H TYR 15 H TYR 15 -3.434 -3.220 0.652 78 HA TYR 15 HA TYR 15 -2.038 -2.857 -1.864 79 HB2 TYR 15 HB2 TYR 15 -4.993 -2.286 -1.602 80 HB3 TYR 15 HB3 TYR 15 -3.987 -1.757 -2.945 81 HD1 TYR 15 HD1 TYR 15 -3.215 -3.334 -4.617 82 HD2 TYR 15 HD2 TYR 15 -5.598 -4.631 -1.340 83 HE1 TYR 15 HE1 TYR 15 -3.629 -5.467 -5.769 84 HE2 TYR 15 HE2 TYR 15 -6.017 -6.767 -2.482 85 HH TYR 15 HH TYR 15 -5.992 -7.710 -4.693 86 H ALA 16 H ALA 16 -0.909 -1.075 -1.770 87 HA ALA 16 HA ALA 16 -1.954 1.294 -0.396 88 HB1 ALA 16 HB1 ALA 16 0.817 0.201 0.046 89 HB2 ALA 16 HB2 ALA 16 -0.504 0.156 1.212 90 HB3 ALA 16 HB3 ALA 16 0.170 1.703 0.706 91 H VAL 17 H VAL 17 -1.273 3.240 -1.221 92 HA VAL 17 HA VAL 17 -0.119 3.101 -3.892 93 HB VAL 17 HB VAL 17 -0.781 5.745 -2.721 94 HG11 VAL 17 HG11 VAL 17 -0.335 6.043 -4.912 95 HG12 VAL 17 HG12 VAL 17 -2.036 5.616 -5.094 96 HG13 VAL 17 HG13 VAL 17 -0.789 4.394 -5.342 97 HG21 VAL 17 HG21 VAL 17 -3.248 5.123 -3.537 98 HG22 VAL 17 HG22 VAL 17 -2.723 4.952 -1.863 99 HG23 VAL 17 HG23 VAL 17 -2.751 3.545 -2.926 100 H VAL 18 H VAL 18 1.092 3.165 -0.890 101 HA VAL 18 HA VAL 18 3.438 4.742 -1.725 102 HB VAL 18 HB VAL 18 2.538 6.118 -0.082 103 HG11 VAL 18 HG11 VAL 18 0.799 4.534 0.671 104 HG12 VAL 18 HG12 VAL 18 1.563 5.400 2.004 105 HG13 VAL 18 HG13 VAL 18 2.007 3.726 1.670 106 HG21 VAL 18 HG21 VAL 18 4.016 5.983 1.847 107 HG22 VAL 18 HG22 VAL 18 4.894 5.648 0.355 108 HG23 VAL 18 HG23 VAL 18 4.433 4.323 1.424 109 H CYS 19 H CYS 19 5.438 4.099 -0.738 110 HA CYS 19 HA CYS 19 5.465 1.282 0.124 111 HB2 CYS 19 HB2 CYS 19 7.433 2.608 -1.750 112 HB3 CYS 19 HB3 CYS 19 7.537 0.953 -1.160 113 H PHE 20 H PHE 20 6.520 4.485 0.695 114 HA PHE 20 HA PHE 20 8.673 3.619 2.471 115 HB2 PHE 20 HB2 PHE 20 7.808 6.416 1.708 116 HB3 PHE 20 HB3 PHE 20 9.243 5.993 2.637 117 HD1 PHE 20 HD1 PHE 20 8.005 6.741 -0.559 118 HD2 PHE 20 HD2 PHE 20 10.887 4.336 1.445 119 HE1 PHE 20 HE1 PHE 20 9.294 6.554 -2.647 120 HE2 PHE 20 HE2 PHE 20 12.182 4.144 -0.639 121 HZ PHE 20 HZ PHE 20 11.385 5.254 -2.688 122 H DTR 21 H DTR 21 6.081 2.892 3.233 123 HA DTR 21 HA DTR 21 4.443 4.235 4.793 124 HB2 DTR 21 HB2 DTR 21 6.079 5.462 6.016 125 HB3 DTR 21 HB3 DTR 21 5.471 4.235 7.120 126 HD1 DTR 21 HD1 DTR 21 7.429 1.958 5.542 127 HE1 DTR 21 HE1 DTR 21 9.882 1.882 6.317 128 HZ2 DTR 21 HZ2 DTR 21 11.700 3.546 7.692 129 HH2 DTR 21 HH2 DTR 21 11.800 5.758 8.755 130 HZ3 DTR 21 HZ3 DTR 21 9.853 7.231 8.795 131 HE3 DTR 21 HE3 DTR 21 7.721 6.550 7.772 Start of MODEL 4 1 H1 CYS 1 H1 CYS 1 -3.608 0.621 2.688 2 HA CYS 1 HA CYS 1 -4.838 -1.658 1.609 3 HB2 CYS 1 HB2 CYS 1 -5.618 -2.191 3.752 4 HB3 CYS 1 HB3 CYS 1 -5.766 -0.503 4.224 5 H LEU 2 H LEU 2 -5.069 -0.564 -0.279 6 HA LEU 2 HA LEU 2 -7.034 1.576 -0.330 7 HB2 LEU 2 HB2 LEU 2 -4.244 1.892 -1.431 8 HB3 LEU 2 HB3 LEU 2 -5.580 2.953 -1.834 9 HG LEU 2 HG LEU 2 -4.764 2.559 1.025 10 HD11 LEU 2 HD11 LEU 2 -2.946 3.846 0.881 11 HD12 LEU 2 HD12 LEU 2 -3.694 4.936 -0.286 12 HD13 LEU 2 HD13 LEU 2 -2.962 3.428 -0.833 13 HD21 LEU 2 HD21 LEU 2 -6.220 4.678 -0.533 14 HD22 LEU 2 HD22 LEU 2 -5.632 4.932 1.110 15 HD23 LEU 2 HD23 LEU 2 -6.830 3.679 0.785 16 H GLY 3 H GLY 3 -7.487 2.202 -2.701 17 HA2 GLY 3 HA2 GLY 3 -7.995 -0.266 -4.116 18 HA3 GLY 3 HA3 GLY 3 -8.547 1.337 -4.579 19 H VAL 4 H VAL 4 -5.280 1.502 -3.959 20 HA VAL 4 HA VAL 4 -4.691 1.567 -6.808 21 HB VAL 4 HB VAL 4 -2.812 2.232 -4.543 22 HG11 VAL 4 HG11 VAL 4 -2.851 2.876 -7.484 23 HG12 VAL 4 HG12 VAL 4 -1.639 1.960 -6.589 24 HG13 VAL 4 HG13 VAL 4 -1.803 3.695 -6.326 25 HG21 VAL 4 HG21 VAL 4 -3.587 4.644 -5.433 26 HG22 VAL 4 HG22 VAL 4 -4.347 3.826 -4.067 27 HG23 VAL 4 HG23 VAL 4 -5.086 3.746 -5.666 28 H GLY 5 H GLY 5 -2.664 0.587 -7.610 29 HA2 GLY 5 HA2 GLY 5 -2.013 -1.906 -6.172 30 HA3 GLY 5 HA3 GLY 5 -2.311 -1.889 -7.903 31 H SER 6 H SER 6 -0.461 0.492 -6.036 32 HA SER 6 HA SER 6 1.814 0.029 -7.800 33 HB2 SER 6 HB2 SER 6 1.304 2.341 -7.480 34 HB3 SER 6 HB3 SER 6 1.208 2.147 -5.730 35 HG SER 6 HG SER 6 3.545 1.872 -7.320 36 H CYS 7 H CYS 7 0.946 -0.120 -4.405 37 HA CYS 7 HA CYS 7 3.026 -2.078 -3.916 38 HB2 CYS 7 HB2 CYS 7 3.706 0.493 -3.376 39 HB3 CYS 7 HB3 CYS 7 2.942 0.049 -1.854 40 H VAL 8 H VAL 8 2.764 -2.075 -1.087 41 HA VAL 8 HA VAL 8 -0.118 -2.548 -0.732 42 HB VAL 8 HB VAL 8 1.953 -4.379 0.421 43 HG11 VAL 8 HG11 VAL 8 0.222 -5.122 1.584 44 HG12 VAL 8 HG12 VAL 8 -0.482 -5.691 0.070 45 HG13 VAL 8 HG13 VAL 8 -0.889 -4.091 0.686 46 HG21 VAL 8 HG21 VAL 8 1.997 -4.404 -2.087 47 HG22 VAL 8 HG22 VAL 8 0.320 -4.945 -2.041 48 HG23 VAL 8 HG23 VAL 8 1.589 -5.947 -1.337 49 H ASP 9 H ASP 9 -0.908 -2.334 1.319 50 HA ASP 9 HA ASP 9 0.779 -0.753 3.120 51 HB2 ASP 9 HB2 ASP 9 -1.491 -0.350 4.298 52 HB3 ASP 9 HB3 ASP 9 -1.188 0.454 2.765 53 H PHE 10 H PHE 10 -0.752 -3.819 2.823 54 HA PHE 10 HA PHE 10 -0.784 -5.664 4.144 55 HB2 PHE 10 HB2 PHE 10 1.531 -4.129 5.253 56 HB3 PHE 10 HB3 PHE 10 0.974 -5.567 6.102 57 HD1 PHE 10 HD1 PHE 10 1.460 -7.730 5.297 58 HD2 PHE 10 HD2 PHE 10 2.318 -4.320 2.899 59 HE1 PHE 10 HE1 PHE 10 2.756 -9.144 3.756 60 HE2 PHE 10 HE2 PHE 10 3.615 -5.728 1.354 61 HZ PHE 10 HZ PHE 10 3.835 -8.143 1.781 62 H ALA 11 H ALA 11 -2.530 -3.409 4.734 63 HA ALA 11 HA ALA 11 -2.837 -3.616 7.639 64 HB1 ALA 11 HB1 ALA 11 -3.624 -1.527 7.606 65 HB2 ALA 11 HB2 ALA 11 -4.741 -1.885 6.289 66 HB3 ALA 11 HB3 ALA 11 -3.068 -1.456 5.934 67 H GLY 12 H GLY 12 -3.476 -5.773 5.743 68 HA2 GLY 12 HA2 GLY 12 -5.139 -7.438 6.240 69 HA3 GLY 12 HA3 GLY 12 -6.280 -6.142 6.564 70 H CYS 13 H CYS 13 -5.590 -4.614 4.198 71 HA CYS 13 HA CYS 13 -7.294 -5.993 2.336 72 HB2 CYS 13 HB2 CYS 13 -5.870 -3.332 2.156 73 HB3 CYS 13 HB3 CYS 13 -7.005 -3.937 0.953 74 H GLY 14 H GLY 14 -4.077 -4.482 1.894 75 HA2 GLY 14 HA2 GLY 14 -2.251 -5.928 1.109 76 HA3 GLY 14 HA3 GLY 14 -3.433 -6.735 0.094 77 H TYR 15 H TYR 15 -3.504 -3.259 0.403 78 HA TYR 15 HA TYR 15 -1.932 -2.893 -2.007 79 HB2 TYR 15 HB2 TYR 15 -4.904 -2.543 -1.929 80 HB3 TYR 15 HB3 TYR 15 -3.934 -1.492 -2.952 81 HD1 TYR 15 HD1 TYR 15 -2.115 -2.865 -4.400 82 HD2 TYR 15 HD2 TYR 15 -5.792 -4.415 -2.926 83 HE1 TYR 15 HE1 TYR 15 -2.085 -4.587 -6.154 84 HE2 TYR 15 HE2 TYR 15 -5.772 -6.143 -4.675 85 HH TYR 15 HH TYR 15 -3.016 -6.757 -6.623 86 H ALA 16 H ALA 16 -0.894 -1.032 -2.023 87 HA ALA 16 HA ALA 16 -1.892 1.259 -0.502 88 HB1 ALA 16 HB1 ALA 16 0.869 0.110 -0.159 89 HB2 ALA 16 HB2 ALA 16 -0.418 0.112 1.043 90 HB3 ALA 16 HB3 ALA 16 0.299 1.633 0.522 91 H VAL 17 H VAL 17 -0.999 3.264 -1.137 92 HA VAL 17 HA VAL 17 -0.087 3.266 -3.908 93 HB VAL 17 HB VAL 17 -0.572 5.710 -2.205 94 HG11 VAL 17 HG11 VAL 17 -1.268 5.707 -5.052 95 HG12 VAL 17 HG12 VAL 17 0.446 5.460 -4.717 96 HG13 VAL 17 HG13 VAL 17 -0.375 6.893 -4.100 97 HG21 VAL 17 HG21 VAL 17 -2.841 5.385 -3.752 98 HG22 VAL 17 HG22 VAL 17 -2.713 5.118 -2.015 99 HG23 VAL 17 HG23 VAL 17 -2.522 3.766 -3.130 100 H VAL 18 H VAL 18 1.263 2.956 -0.973 101 HA VAL 18 HA VAL 18 3.838 4.001 -1.891 102 HB VAL 18 HB VAL 18 3.053 4.396 0.982 103 HG11 VAL 18 HG11 VAL 18 5.304 5.086 -0.767 104 HG12 VAL 18 HG12 VAL 18 5.253 4.850 0.980 105 HG13 VAL 18 HG13 VAL 18 4.762 6.394 0.284 106 HG21 VAL 18 HG21 VAL 18 2.284 6.065 -1.356 107 HG22 VAL 18 HG22 VAL 18 2.776 6.882 0.128 108 HG23 VAL 18 HG23 VAL 18 1.417 5.758 0.149 109 H CYS 19 H CYS 19 5.652 3.067 -0.583 110 HA CYS 19 HA CYS 19 4.952 0.319 0.184 111 HB2 CYS 19 HB2 CYS 19 7.598 1.477 -0.709 112 HB3 CYS 19 HB3 CYS 19 7.333 -0.204 -0.258 113 H PHE 20 H PHE 20 6.375 3.262 1.343 114 HA PHE 20 HA PHE 20 7.385 1.992 3.760 115 HB2 PHE 20 HB2 PHE 20 7.331 4.941 3.101 116 HB3 PHE 20 HB3 PHE 20 8.318 4.134 4.316 117 HD1 PHE 20 HD1 PHE 20 10.228 2.752 3.642 118 HD2 PHE 20 HD2 PHE 20 7.964 4.970 0.803 119 HE1 PHE 20 HE1 PHE 20 12.041 2.492 1.999 120 HE2 PHE 20 HE2 PHE 20 9.772 4.714 -0.845 121 HZ PHE 20 HZ PHE 20 11.815 3.474 -0.248 122 H DTR 21 H DTR 21 4.732 3.951 2.648 123 HA DTR 21 HA DTR 21 3.537 5.177 4.646 124 HB2 DTR 21 HB2 DTR 21 2.059 3.034 5.512 125 HB3 DTR 21 HB3 DTR 21 3.661 2.321 5.371 126 HD1 DTR 21 HD1 DTR 21 5.123 5.172 6.285 127 HE1 DTR 21 HE1 DTR 21 5.142 5.702 8.804 128 HZ2 DTR 21 HZ2 DTR 21 3.726 4.928 11.121 129 HH2 DTR 21 HH2 DTR 21 1.887 3.448 11.802 130 HZ3 DTR 21 HZ3 DTR 21 0.701 2.073 10.170 131 HE3 DTR 21 HE3 DTR 21 1.306 2.120 7.786 Start of MODEL 5 1 H1 CYS 1 H1 CYS 1 -4.066 0.128 2.635 2 HA CYS 1 HA CYS 1 -5.250 -2.088 1.375 3 HB2 CYS 1 HB2 CYS 1 -6.145 -2.768 3.431 4 HB3 CYS 1 HB3 CYS 1 -6.356 -1.115 3.995 5 H LEU 2 H LEU 2 -5.386 -0.879 -0.450 6 HA LEU 2 HA LEU 2 -7.393 1.215 -0.493 7 HB2 LEU 2 HB2 LEU 2 -4.545 1.691 -1.358 8 HB3 LEU 2 HB3 LEU 2 -5.884 2.749 -1.763 9 HG LEU 2 HG LEU 2 -5.067 2.124 1.071 10 HD11 LEU 2 HD11 LEU 2 -3.251 3.258 -0.150 11 HD12 LEU 2 HD12 LEU 2 -3.951 4.260 1.120 12 HD13 LEU 2 HD13 LEU 2 -4.372 4.554 -0.567 13 HD21 LEU 2 HD21 LEU 2 -7.419 3.095 0.198 14 HD22 LEU 2 HD22 LEU 2 -6.502 4.594 0.350 15 HD23 LEU 2 HD23 LEU 2 -6.693 3.532 1.745 16 H GLY 3 H GLY 3 -7.693 2.012 -2.838 17 HA2 GLY 3 HA2 GLY 3 -7.987 -0.370 -4.467 18 HA3 GLY 3 HA3 GLY 3 -8.633 1.225 -4.822 19 H VAL 4 H VAL 4 -5.316 1.148 -3.980 20 HA VAL 4 HA VAL 4 -4.611 1.845 -6.715 21 HB VAL 4 HB VAL 4 -3.873 3.065 -4.537 22 HG11 VAL 4 HG11 VAL 4 -2.284 2.208 -3.229 23 HG12 VAL 4 HG12 VAL 4 -1.365 1.582 -4.593 24 HG13 VAL 4 HG13 VAL 4 -2.724 0.661 -3.949 25 HG21 VAL 4 HG21 VAL 4 -2.617 4.227 -5.946 26 HG22 VAL 4 HG22 VAL 4 -2.884 2.953 -7.135 27 HG23 VAL 4 HG23 VAL 4 -1.459 2.906 -6.097 28 H GLY 5 H GLY 5 -1.858 1.033 -6.617 29 HA2 GLY 5 HA2 GLY 5 -1.749 -1.803 -6.170 30 HA3 GLY 5 HA3 GLY 5 -1.893 -1.390 -7.870 31 H SER 6 H SER 6 -0.152 0.630 -5.603 32 HA SER 6 HA SER 6 2.285 0.195 -7.135 33 HB2 SER 6 HB2 SER 6 1.743 2.138 -4.875 34 HB3 SER 6 HB3 SER 6 3.165 2.128 -5.918 35 HG SER 6 HG SER 6 0.484 2.699 -6.628 36 H CYS 7 H CYS 7 1.057 -0.163 -3.860 37 HA CYS 7 HA CYS 7 3.081 -2.175 -3.306 38 HB2 CYS 7 HB2 CYS 7 2.697 -0.082 -1.198 39 HB3 CYS 7 HB3 CYS 7 4.044 -1.186 -1.440 40 H VAL 8 H VAL 8 2.557 -2.409 -0.552 41 HA VAL 8 HA VAL 8 -0.333 -2.966 -0.490 42 HB VAL 8 HB VAL 8 1.702 -4.770 0.771 43 HG11 VAL 8 HG11 VAL 8 -0.692 -6.098 0.087 44 HG12 VAL 8 HG12 VAL 8 -1.125 -4.588 0.885 45 HG13 VAL 8 HG13 VAL 8 -0.058 -5.734 1.691 46 HG21 VAL 8 HG21 VAL 8 1.065 -6.329 -1.176 47 HG22 VAL 8 HG22 VAL 8 2.237 -5.047 -1.479 48 HG23 VAL 8 HG23 VAL 8 0.562 -4.850 -1.995 49 H ASP 9 H ASP 9 -1.308 -2.887 1.516 50 HA ASP 9 HA ASP 9 0.190 -1.377 3.538 51 HB2 ASP 9 HB2 ASP 9 -2.147 -0.859 4.440 52 HB3 ASP 9 HB3 ASP 9 -1.699 -0.114 2.910 53 H PHE 10 H PHE 10 -1.222 -4.413 2.910 54 HA PHE 10 HA PHE 10 -1.499 -6.297 4.144 55 HB2 PHE 10 HB2 PHE 10 0.402 -4.929 6.057 56 HB3 PHE 10 HB3 PHE 10 0.032 -6.649 6.018 57 HD1 PHE 10 HD1 PHE 10 0.783 -8.029 4.108 58 HD2 PHE 10 HD2 PHE 10 1.970 -3.967 4.562 59 HE1 PHE 10 HE1 PHE 10 2.618 -8.390 2.510 60 HE2 PHE 10 HE2 PHE 10 3.807 -4.321 2.964 61 HZ PHE 10 HZ PHE 10 4.132 -6.535 1.935 62 H ALA 11 H ALA 11 -3.323 -4.068 4.561 63 HA ALA 11 HA ALA 11 -4.029 -4.362 7.385 64 HB1 ALA 11 HB1 ALA 11 -5.531 -2.574 5.530 65 HB2 ALA 11 HB2 ALA 11 -3.919 -2.103 6.066 66 HB3 ALA 11 HB3 ALA 11 -5.195 -2.383 7.251 67 H GLY 12 H GLY 12 -4.381 -6.465 5.345 68 HA2 GLY 12 HA2 GLY 12 -6.061 -8.168 5.540 69 HA3 GLY 12 HA3 GLY 12 -7.255 -6.907 5.812 70 H CYS 13 H CYS 13 -6.344 -5.233 3.637 71 HA CYS 13 HA CYS 13 -7.742 -6.582 1.492 72 HB2 CYS 13 HB2 CYS 13 -6.514 -3.825 1.422 73 HB3 CYS 13 HB3 CYS 13 -7.808 -4.455 0.406 74 H GLY 14 H GLY 14 -4.539 -5.145 2.025 75 HA2 GLY 14 HA2 GLY 14 -2.525 -6.062 1.236 76 HA3 GLY 14 HA3 GLY 14 -3.435 -7.032 0.093 77 H TYR 15 H TYR 15 -3.677 -3.524 0.560 78 HA TYR 15 HA TYR 15 -2.179 -3.047 -1.879 79 HB2 TYR 15 HB2 TYR 15 -5.106 -2.329 -1.657 80 HB3 TYR 15 HB3 TYR 15 -4.033 -1.794 -2.946 81 HD1 TYR 15 HD1 TYR 15 -6.426 -4.172 -2.053 82 HD2 TYR 15 HD2 TYR 15 -2.749 -3.797 -4.162 83 HE1 TYR 15 HE1 TYR 15 -6.948 -6.216 -3.316 84 HE2 TYR 15 HE2 TYR 15 -3.262 -5.840 -5.432 85 HH TYR 15 HH TYR 15 -6.021 -7.083 -5.882 86 H ALA 16 H ALA 16 -0.983 -1.299 -1.637 87 HA ALA 16 HA ALA 16 -1.942 0.910 0.061 88 HB1 ALA 16 HB1 ALA 16 0.427 1.204 0.822 89 HB2 ALA 16 HB2 ALA 16 0.776 -0.372 0.112 90 HB3 ALA 16 HB3 ALA 16 -0.383 -0.238 1.434 91 H VAL 17 H VAL 17 -1.309 2.963 -0.517 92 HA VAL 17 HA VAL 17 -0.490 3.250 -3.299 93 HB VAL 17 HB VAL 17 -1.335 5.367 -1.304 94 HG11 VAL 17 HG11 VAL 17 -1.786 6.488 -3.691 95 HG12 VAL 17 HG12 VAL 17 -0.408 5.471 -4.109 96 HG13 VAL 17 HG13 VAL 17 -0.263 6.665 -2.819 97 HG21 VAL 17 HG21 VAL 17 -2.985 4.435 -3.616 98 HG22 VAL 17 HG22 VAL 17 -3.490 5.275 -2.152 99 HG23 VAL 17 HG23 VAL 17 -3.033 3.574 -2.078 100 H VAL 18 H VAL 18 0.986 3.007 -0.348 101 HA VAL 18 HA VAL 18 3.443 4.177 -1.386 102 HB VAL 18 HB VAL 18 2.772 4.947 1.417 103 HG11 VAL 18 HG11 VAL 18 5.027 5.223 0.214 104 HG12 VAL 18 HG12 VAL 18 4.388 6.596 1.117 105 HG13 VAL 18 HG13 VAL 18 4.244 6.553 -0.640 106 HG21 VAL 18 HG21 VAL 18 0.816 5.658 0.079 107 HG22 VAL 18 HG22 VAL 18 1.899 6.567 -0.976 108 HG23 VAL 18 HG23 VAL 18 1.737 7.019 0.721 109 H CYS 19 H CYS 19 5.315 3.360 -0.426 110 HA CYS 19 HA CYS 19 5.035 1.416 1.723 111 HB2 CYS 19 HB2 CYS 19 6.448 -0.219 0.328 112 HB3 CYS 19 HB3 CYS 19 4.732 -0.093 -0.033 113 H PHE 20 H PHE 20 6.510 4.047 0.840 114 HA PHE 20 HA PHE 20 8.941 3.389 2.279 115 HB2 PHE 20 HB2 PHE 20 10.326 4.587 0.509 116 HB3 PHE 20 HB3 PHE 20 9.765 2.969 0.100 117 HD1 PHE 20 HD1 PHE 20 8.734 2.621 -1.927 118 HD2 PHE 20 HD2 PHE 20 8.786 6.543 -0.277 119 HE1 PHE 20 HE1 PHE 20 7.710 3.497 -3.986 120 HE2 PHE 20 HE2 PHE 20 7.761 7.426 -2.331 121 HZ PHE 20 HZ PHE 20 7.221 5.903 -4.190 122 H DTR 21 H DTR 21 6.472 5.083 2.533 123 HA DTR 21 HA DTR 21 5.827 7.256 2.948 124 HB2 DTR 21 HB2 DTR 21 8.495 8.502 2.875 125 HB3 DTR 21 HB3 DTR 21 7.980 7.787 1.351 126 HD1 DTR 21 HD1 DTR 21 4.974 8.521 1.240 127 HE1 DTR 21 HE1 DTR 21 4.212 10.972 1.037 128 HZ2 DTR 21 HZ2 DTR 21 5.253 13.542 1.562 129 HH2 DTR 21 HH2 DTR 21 7.290 14.613 2.423 130 HZ3 DTR 21 HZ3 DTR 21 9.210 13.285 3.138 131 HE3 DTR 21 HE3 DTR 21 9.174 10.828 3.022 Start of MODEL 6 1 H1 CYS 1 H1 CYS 1 -4.260 0.016 2.739 2 HA CYS 1 HA CYS 1 -5.264 -2.222 1.352 3 HB2 CYS 1 HB2 CYS 1 -6.193 -3.048 3.312 4 HB3 CYS 1 HB3 CYS 1 -6.391 -1.450 4.016 5 H LEU 2 H LEU 2 -5.411 -0.943 -0.430 6 HA LEU 2 HA LEU 2 -7.515 1.070 -0.418 7 HB2 LEU 2 HB2 LEU 2 -4.831 1.716 -1.612 8 HB3 LEU 2 HB3 LEU 2 -6.201 2.790 -1.398 9 HG LEU 2 HG LEU 2 -4.712 1.581 0.925 10 HD11 LEU 2 HD11 LEU 2 -3.253 2.978 -0.583 11 HD12 LEU 2 HD12 LEU 2 -3.381 3.519 1.091 12 HD13 LEU 2 HD13 LEU 2 -4.292 4.343 -0.175 13 HD21 LEU 2 HD21 LEU 2 -7.133 2.736 0.909 14 HD22 LEU 2 HD22 LEU 2 -6.121 4.169 1.085 15 HD23 LEU 2 HD23 LEU 2 -6.009 2.860 2.262 16 H GLY 3 H GLY 3 -7.893 1.886 -2.731 17 HA2 GLY 3 HA2 GLY 3 -8.231 -0.445 -4.386 18 HA3 GLY 3 HA3 GLY 3 -8.780 1.182 -4.751 19 H VAL 4 H VAL 4 -5.580 1.434 -3.950 20 HA VAL 4 HA VAL 4 -4.839 1.631 -6.762 21 HB VAL 4 HB VAL 4 -3.083 2.310 -4.408 22 HG11 VAL 4 HG11 VAL 4 -3.038 2.810 -7.339 23 HG12 VAL 4 HG12 VAL 4 -1.718 2.414 -6.239 24 HG13 VAL 4 HG13 VAL 4 -2.381 4.048 -6.269 25 HG21 VAL 4 HG21 VAL 4 -5.408 3.769 -5.534 26 HG22 VAL 4 HG22 VAL 4 -3.978 4.713 -5.118 27 HG23 VAL 4 HG23 VAL 4 -4.780 3.737 -3.887 28 H GLY 5 H GLY 5 -2.713 0.796 -7.478 29 HA2 GLY 5 HA2 GLY 5 -1.980 -1.692 -6.068 30 HA3 GLY 5 HA3 GLY 5 -2.217 -1.662 -7.807 31 H SER 6 H SER 6 -0.424 0.308 -5.428 32 HA SER 6 HA SER 6 1.898 0.187 -7.238 33 HB2 SER 6 HB2 SER 6 1.081 2.246 -5.181 34 HB3 SER 6 HB3 SER 6 2.677 2.219 -5.929 35 HG SER 6 HG SER 6 1.746 3.348 -7.434 36 H CYS 7 H CYS 7 0.796 -0.201 -3.941 37 HA CYS 7 HA CYS 7 3.059 -1.922 -3.354 38 HB2 CYS 7 HB2 CYS 7 3.165 0.746 -2.565 39 HB3 CYS 7 HB3 CYS 7 2.605 -0.095 -1.124 40 H VAL 8 H VAL 8 2.516 -2.007 -0.520 41 HA VAL 8 HA VAL 8 -0.286 -2.886 -0.456 42 HB VAL 8 HB VAL 8 1.906 -4.508 0.786 43 HG11 VAL 8 HG11 VAL 8 0.215 -5.479 1.831 44 HG12 VAL 8 HG12 VAL 8 -0.327 -6.084 0.266 45 HG13 VAL 8 HG13 VAL 8 -0.960 -4.564 0.891 46 HG21 VAL 8 HG21 VAL 8 1.891 -6.007 -1.034 47 HG22 VAL 8 HG22 VAL 8 2.021 -4.400 -1.749 48 HG23 VAL 8 HG23 VAL 8 0.471 -5.241 -1.746 49 H ASP 9 H ASP 9 -1.260 -2.871 1.528 50 HA ASP 9 HA ASP 9 0.116 -1.276 3.579 51 HB2 ASP 9 HB2 ASP 9 -2.269 -0.862 4.418 52 HB3 ASP 9 HB3 ASP 9 -1.802 -0.079 2.914 53 H PHE 10 H PHE 10 -1.196 -4.353 2.907 54 HA PHE 10 HA PHE 10 -1.436 -6.250 4.130 55 HB2 PHE 10 HB2 PHE 10 0.929 -5.207 4.893 56 HB3 PHE 10 HB3 PHE 10 0.092 -5.202 6.442 57 HD1 PHE 10 HD1 PHE 10 -0.775 -7.342 7.373 58 HD2 PHE 10 HD2 PHE 10 1.734 -7.208 3.938 59 HE1 PHE 10 HE1 PHE 10 -0.259 -9.730 7.661 60 HE2 PHE 10 HE2 PHE 10 2.254 -9.596 4.220 61 HZ PHE 10 HZ PHE 10 1.257 -10.861 6.083 62 H ALA 11 H ALA 11 -3.336 -4.071 4.480 63 HA ALA 11 HA ALA 11 -4.137 -4.380 7.277 64 HB1 ALA 11 HB1 ALA 11 -4.099 -2.157 5.748 65 HB2 ALA 11 HB2 ALA 11 -5.162 -2.376 7.138 66 HB3 ALA 11 HB3 ALA 11 -5.766 -2.680 5.510 67 H GLY 12 H GLY 12 -4.356 -6.499 5.228 68 HA2 GLY 12 HA2 GLY 12 -5.976 -8.254 5.341 69 HA3 GLY 12 HA3 GLY 12 -7.219 -7.045 5.630 70 H CYS 13 H CYS 13 -6.156 -5.328 3.464 71 HA CYS 13 HA CYS 13 -7.537 -6.664 1.276 72 HB2 CYS 13 HB2 CYS 13 -6.430 -3.850 1.389 73 HB3 CYS 13 HB3 CYS 13 -7.557 -4.492 0.198 74 H GLY 14 H GLY 14 -4.397 -5.205 1.995 75 HA2 GLY 14 HA2 GLY 14 -2.328 -5.963 1.234 76 HA3 GLY 14 HA3 GLY 14 -3.152 -6.991 0.075 77 H TYR 15 H TYR 15 -3.567 -3.490 0.511 78 HA TYR 15 HA TYR 15 -2.039 -2.979 -1.899 79 HB2 TYR 15 HB2 TYR 15 -4.948 -2.185 -1.794 80 HB3 TYR 15 HB3 TYR 15 -3.832 -1.951 -3.133 81 HD1 TYR 15 HD1 TYR 15 -6.250 -4.119 -1.656 82 HD2 TYR 15 HD2 TYR 15 -2.885 -4.051 -4.259 83 HE1 TYR 15 HE1 TYR 15 -6.940 -6.284 -2.594 84 HE2 TYR 15 HE2 TYR 15 -3.566 -6.216 -5.205 85 HH TYR 15 HH TYR 15 -6.634 -7.616 -4.573 86 H ALA 16 H ALA 16 -0.900 -1.234 -1.617 87 HA ALA 16 HA ALA 16 -1.982 1.055 -0.131 88 HB1 ALA 16 HB1 ALA 16 0.765 -0.101 0.299 89 HB2 ALA 16 HB2 ALA 16 -0.582 -0.191 1.432 90 HB3 ALA 16 HB3 ALA 16 0.130 1.370 1.034 91 H VAL 17 H VAL 17 -1.132 3.055 -0.704 92 HA VAL 17 HA VAL 17 -0.041 3.143 -3.401 93 HB VAL 17 HB VAL 17 -0.244 5.711 -2.882 94 HG11 VAL 17 HG11 VAL 17 -2.850 4.277 -3.167 95 HG12 VAL 17 HG12 VAL 17 -1.620 4.158 -4.425 96 HG13 VAL 17 HG13 VAL 17 -2.281 5.732 -3.985 97 HG21 VAL 17 HG21 VAL 17 -2.475 4.876 -1.110 98 HG22 VAL 17 HG22 VAL 17 -1.602 6.405 -1.185 99 HG23 VAL 17 HG23 VAL 17 -0.855 5.001 -0.424 100 H VAL 18 H VAL 18 1.106 2.980 -0.308 101 HA VAL 18 HA VAL 18 3.729 3.925 -1.144 102 HB VAL 18 HB VAL 18 2.428 5.015 1.349 103 HG11 VAL 18 HG11 VAL 18 4.748 4.821 1.748 104 HG12 VAL 18 HG12 VAL 18 4.470 6.509 1.321 105 HG13 VAL 18 HG13 VAL 18 5.149 5.399 0.131 106 HG21 VAL 18 HG21 VAL 18 2.956 6.280 -1.327 107 HG22 VAL 18 HG22 VAL 18 2.638 7.212 0.137 108 HG23 VAL 18 HG23 VAL 18 1.413 6.109 -0.491 109 H CYS 19 H CYS 19 5.417 3.348 0.443 110 HA CYS 19 HA CYS 19 4.657 1.197 2.275 111 HB2 CYS 19 HB2 CYS 19 6.430 0.971 -0.109 112 HB3 CYS 19 HB3 CYS 19 6.875 0.072 1.338 113 H PHE 20 H PHE 20 7.245 3.294 1.093 114 HA PHE 20 HA PHE 20 8.428 3.252 3.785 115 HB2 PHE 20 HB2 PHE 20 10.346 4.431 2.247 116 HB3 PHE 20 HB3 PHE 20 10.287 2.714 2.621 117 HD1 PHE 20 HD1 PHE 20 10.495 5.090 0.049 118 HD2 PHE 20 HD2 PHE 20 8.867 1.264 0.954 119 HE1 PHE 20 HE1 PHE 20 10.372 4.578 -2.355 120 HE2 PHE 20 HE2 PHE 20 8.741 0.745 -1.448 121 HZ PHE 20 HZ PHE 20 9.494 2.403 -3.106 122 H DTR 21 H DTR 21 8.713 5.568 1.135 123 HA DTR 21 HA DTR 21 8.836 7.868 1.243 124 HB2 DTR 21 HB2 DTR 21 8.324 9.127 3.259 125 HB3 DTR 21 HB3 DTR 21 7.682 7.688 4.036 126 HD1 DTR 21 HD1 DTR 21 10.604 6.405 2.394 127 HE1 DTR 21 HE1 DTR 21 12.666 6.405 3.934 128 HZ2 DTR 21 HZ2 DTR 21 13.464 7.585 6.371 129 HH2 DTR 21 HH2 DTR 21 12.608 9.102 8.103 130 HZ3 DTR 21 HZ3 DTR 21 10.371 10.068 7.942 131 HE3 DTR 21 HE3 DTR 21 8.896 9.555 6.041 Start of MODEL 7 1 H1 CYS 1 H1 CYS 1 -4.380 0.006 2.651 2 HA CYS 1 HA CYS 1 -5.391 -2.199 1.259 3 HB2 CYS 1 HB2 CYS 1 -6.394 -2.999 3.213 4 HB3 CYS 1 HB3 CYS 1 -6.681 -1.383 3.846 5 H LEU 2 H LEU 2 -5.497 -0.949 -0.534 6 HA LEU 2 HA LEU 2 -7.549 1.099 -0.605 7 HB2 LEU 2 HB2 LEU 2 -4.676 1.655 -1.324 8 HB3 LEU 2 HB3 LEU 2 -6.015 2.691 -1.782 9 HG LEU 2 HG LEU 2 -5.287 2.041 1.073 10 HD11 LEU 2 HD11 LEU 2 -4.590 4.425 -0.628 11 HD12 LEU 2 HD12 LEU 2 -3.477 3.285 0.128 12 HD13 LEU 2 HD13 LEU 2 -4.436 4.376 1.128 13 HD21 LEU 2 HD21 LEU 2 -7.663 2.931 0.106 14 HD22 LEU 2 HD22 LEU 2 -6.824 4.452 0.414 15 HD23 LEU 2 HD23 LEU 2 -7.041 3.285 1.718 16 H GLY 3 H GLY 3 -7.722 1.978 -2.948 17 HA2 GLY 3 HA2 GLY 3 -8.059 -0.324 -4.639 18 HA3 GLY 3 HA3 GLY 3 -8.481 1.334 -5.036 19 H VAL 4 H VAL 4 -5.343 1.380 -3.983 20 HA VAL 4 HA VAL 4 -4.367 1.563 -6.719 21 HB VAL 4 HB VAL 4 -2.791 2.079 -4.200 22 HG11 VAL 4 HG11 VAL 4 -1.724 3.741 -5.922 23 HG12 VAL 4 HG12 VAL 4 -2.413 2.630 -7.106 24 HG13 VAL 4 HG13 VAL 4 -1.257 2.041 -5.911 25 HG21 VAL 4 HG21 VAL 4 -4.390 3.650 -3.836 26 HG22 VAL 4 HG22 VAL 4 -4.873 3.712 -5.530 27 HG23 VAL 4 HG23 VAL 4 -3.415 4.549 -4.998 28 H GLY 5 H GLY 5 -2.260 0.584 -7.283 29 HA2 GLY 5 HA2 GLY 5 -1.803 -1.960 -5.863 30 HA3 GLY 5 HA3 GLY 5 -1.931 -1.908 -7.613 31 H SER 6 H SER 6 -0.251 0.379 -5.484 32 HA SER 6 HA SER 6 2.194 -0.106 -7.019 33 HB2 SER 6 HB2 SER 6 1.379 2.101 -5.119 34 HB3 SER 6 HB3 SER 6 3.005 1.958 -5.785 35 HG SER 6 HG SER 6 1.315 3.314 -6.920 36 H CYS 7 H CYS 7 0.884 -0.296 -3.787 37 HA CYS 7 HA CYS 7 3.050 -2.055 -2.982 38 HB2 CYS 7 HB2 CYS 7 2.630 0.681 -1.888 39 HB3 CYS 7 HB3 CYS 7 3.000 -0.592 -0.731 40 H VAL 8 H VAL 8 2.441 -2.311 -0.300 41 HA VAL 8 HA VAL 8 -0.433 -2.960 -0.307 42 HB VAL 8 HB VAL 8 1.611 -4.697 1.032 43 HG11 VAL 8 HG11 VAL 8 -0.701 -6.107 0.253 44 HG12 VAL 8 HG12 VAL 8 -1.229 -4.605 1.006 45 HG13 VAL 8 HG13 VAL 8 -0.163 -5.701 1.882 46 HG21 VAL 8 HG21 VAL 8 2.296 -5.204 -1.063 47 HG22 VAL 8 HG22 VAL 8 0.805 -4.621 -1.804 48 HG23 VAL 8 HG23 VAL 8 0.851 -6.214 -1.048 49 H ASP 9 H ASP 9 -1.478 -2.918 1.651 50 HA ASP 9 HA ASP 9 -0.119 -1.364 3.741 51 HB2 ASP 9 HB2 ASP 9 -2.537 -0.990 4.552 52 HB3 ASP 9 HB3 ASP 9 -2.023 -0.153 3.095 53 H PHE 10 H PHE 10 -1.508 -4.421 3.045 54 HA PHE 10 HA PHE 10 -1.721 -6.333 4.250 55 HB2 PHE 10 HB2 PHE 10 -0.191 -5.132 6.530 56 HB3 PHE 10 HB3 PHE 10 -0.154 -6.779 5.911 57 HD1 PHE 10 HD1 PHE 10 1.388 -3.559 5.851 58 HD2 PHE 10 HD2 PHE 10 0.957 -7.187 3.669 59 HE1 PHE 10 HE1 PHE 10 3.413 -3.019 4.562 60 HE2 PHE 10 HE2 PHE 10 2.982 -6.654 2.376 61 HZ PHE 10 HZ PHE 10 4.213 -4.568 2.822 62 H ALA 11 H ALA 11 -3.639 -4.161 4.542 63 HA ALA 11 HA ALA 11 -4.529 -4.472 7.312 64 HB1 ALA 11 HB1 ALA 11 -5.136 -2.514 5.146 65 HB2 ALA 11 HB2 ALA 11 -4.670 -2.228 6.822 66 HB3 ALA 11 HB3 ALA 11 -6.308 -2.760 6.440 67 H GLY 12 H GLY 12 -4.674 -6.603 5.278 68 HA2 GLY 12 HA2 GLY 12 -6.300 -8.359 5.360 69 HA3 GLY 12 HA3 GLY 12 -7.552 -7.142 5.565 70 H CYS 13 H CYS 13 -6.596 -5.424 3.451 71 HA CYS 13 HA CYS 13 -7.810 -6.819 1.225 72 HB2 CYS 13 HB2 CYS 13 -6.668 -4.026 1.201 73 HB3 CYS 13 HB3 CYS 13 -7.898 -4.701 0.138 74 H GLY 14 H GLY 14 -4.721 -5.174 1.871 75 HA2 GLY 14 HA2 GLY 14 -2.625 -6.074 1.241 76 HA3 GLY 14 HA3 GLY 14 -3.432 -7.048 0.027 77 H TYR 15 H TYR 15 -3.786 -3.549 0.538 78 HA TYR 15 HA TYR 15 -2.151 -3.009 -1.795 79 HB2 TYR 15 HB2 TYR 15 -5.102 -2.365 -1.759 80 HB3 TYR 15 HB3 TYR 15 -3.958 -1.750 -2.946 81 HD1 TYR 15 HD1 TYR 15 -5.871 -4.649 -1.832 82 HD2 TYR 15 HD2 TYR 15 -2.980 -3.247 -4.621 83 HE1 TYR 15 HE1 TYR 15 -6.230 -6.657 -3.205 84 HE2 TYR 15 HE2 TYR 15 -3.332 -5.251 -6.002 85 HH TYR 15 HH TYR 15 -4.989 -7.978 -4.897 86 H ALA 16 H ALA 16 -1.010 -1.265 -1.470 87 HA ALA 16 HA ALA 16 -2.110 1.013 0.001 88 HB1 ALA 16 HB1 ALA 16 0.583 -0.175 0.636 89 HB2 ALA 16 HB2 ALA 16 -0.859 -0.343 1.633 90 HB3 ALA 16 HB3 ALA 16 -0.147 1.247 1.380 91 H VAL 17 H VAL 17 -1.393 2.969 -0.678 92 HA VAL 17 HA VAL 17 0.143 2.980 -3.153 93 HB VAL 17 HB VAL 17 -0.747 5.555 -1.988 94 HG11 VAL 17 HG11 VAL 17 -0.327 4.317 -4.621 95 HG12 VAL 17 HG12 VAL 17 -0.044 5.972 -4.083 96 HG13 VAL 17 HG13 VAL 17 -1.671 5.455 -4.526 97 HG21 VAL 17 HG21 VAL 17 -2.721 4.518 -1.383 98 HG22 VAL 17 HG22 VAL 17 -2.647 3.364 -2.713 99 HG23 VAL 17 HG23 VAL 17 -3.075 5.045 -3.027 100 H VAL 18 H VAL 18 0.979 2.854 -0.057 101 HA VAL 18 HA VAL 18 3.067 4.915 -0.208 102 HB VAL 18 HB VAL 18 2.367 5.244 1.901 103 HG11 VAL 18 HG11 VAL 18 0.430 3.791 1.681 104 HG12 VAL 18 HG12 VAL 18 1.153 3.631 3.282 105 HG13 VAL 18 HG13 VAL 18 1.425 2.385 2.063 106 HG21 VAL 18 HG21 VAL 18 3.685 4.220 3.549 107 HG22 VAL 18 HG22 VAL 18 4.648 4.127 2.076 108 HG23 VAL 18 HG23 VAL 18 3.782 2.704 2.652 109 H CYS 19 H CYS 19 5.229 4.446 -0.025 110 HA CYS 19 HA CYS 19 6.096 1.683 0.175 111 HB2 CYS 19 HB2 CYS 19 6.841 3.322 -2.251 112 HB3 CYS 19 HB3 CYS 19 7.292 1.653 -1.921 113 H PHE 20 H PHE 20 7.065 5.024 -0.469 114 HA PHE 20 HA PHE 20 9.572 4.529 0.980 115 HB2 PHE 20 HB2 PHE 20 10.093 6.899 -0.034 116 HB3 PHE 20 HB3 PHE 20 10.236 5.453 -1.027 117 HD1 PHE 20 HD1 PHE 20 9.606 5.887 -3.183 118 HD2 PHE 20 HD2 PHE 20 7.355 7.600 -0.003 119 HE1 PHE 20 HE1 PHE 20 8.041 6.855 -4.817 120 HE2 PHE 20 HE2 PHE 20 5.786 8.569 -1.631 121 HZ PHE 20 HZ PHE 20 6.128 8.197 -4.041 122 H DTR 21 H DTR 21 7.694 4.607 2.748 123 HA DTR 21 HA DTR 21 6.561 5.759 4.397 124 HB2 DTR 21 HB2 DTR 21 6.419 8.135 4.498 125 HB3 DTR 21 HB3 DTR 21 7.824 8.337 3.462 126 HD1 DTR 21 HD1 DTR 21 5.710 5.739 1.954 127 HE1 DTR 21 HE1 DTR 21 4.265 6.713 0.061 128 HZ2 DTR 21 HZ2 DTR 21 3.497 9.256 -0.895 129 HH2 DTR 21 HH2 DTR 21 3.830 11.639 -0.398 130 HZ3 DTR 21 HZ3 DTR 21 5.227 12.355 1.472 131 HE3 DTR 21 HE3 DTR 21 6.351 10.717 2.923 Start of MODEL 8 1 H1 CYS 1 H1 CYS 1 -3.762 0.289 2.627 2 HA CYS 1 HA CYS 1 -5.118 -1.894 1.529 3 HB2 CYS 1 HB2 CYS 1 -5.912 -2.457 3.662 4 HB3 CYS 1 HB3 CYS 1 -6.011 -0.777 4.173 5 H LEU 2 H LEU 2 -5.348 -0.765 -0.324 6 HA LEU 2 HA LEU 2 -7.202 1.468 -0.311 7 HB2 LEU 2 HB2 LEU 2 -4.424 1.688 -1.462 8 HB3 LEU 2 HB3 LEU 2 -5.717 2.831 -1.773 9 HG LEU 2 HG LEU 2 -4.594 2.252 0.969 10 HD11 LEU 2 HD11 LEU 2 -2.854 3.269 -0.295 11 HD12 LEU 2 HD12 LEU 2 -3.570 4.522 0.719 12 HD13 LEU 2 HD13 LEU 2 -3.967 4.443 -0.997 13 HD21 LEU 2 HD21 LEU 2 -6.112 3.677 1.804 14 HD22 LEU 2 HD22 LEU 2 -7.009 3.332 0.326 15 HD23 LEU 2 HD23 LEU 2 -5.992 4.770 0.426 16 H GLY 3 H GLY 3 -7.587 2.197 -2.684 17 HA2 GLY 3 HA2 GLY 3 -8.188 -0.232 -4.168 18 HA3 GLY 3 HA3 GLY 3 -8.765 1.387 -4.537 19 H VAL 4 H VAL 4 -5.409 1.124 -3.939 20 HA VAL 4 HA VAL 4 -4.859 1.696 -6.737 21 HB VAL 4 HB VAL 4 -3.893 2.926 -4.657 22 HG11 VAL 4 HG11 VAL 4 -2.882 0.472 -4.049 23 HG12 VAL 4 HG12 VAL 4 -2.269 2.003 -3.431 24 HG13 VAL 4 HG13 VAL 4 -1.507 1.251 -4.828 25 HG21 VAL 4 HG21 VAL 4 -1.575 2.660 -6.272 26 HG22 VAL 4 HG22 VAL 4 -2.773 3.954 -6.264 27 HG23 VAL 4 HG23 VAL 4 -2.993 2.555 -7.316 28 H GLY 5 H GLY 5 -2.172 0.714 -6.815 29 HA2 GLY 5 HA2 GLY 5 -2.164 -2.096 -6.261 30 HA3 GLY 5 HA3 GLY 5 -2.466 -1.757 -7.957 31 H SER 6 H SER 6 -0.408 0.296 -6.007 32 HA SER 6 HA SER 6 1.846 -0.443 -7.716 33 HB2 SER 6 HB2 SER 6 2.090 1.743 -5.709 34 HB3 SER 6 HB3 SER 6 2.691 1.662 -7.364 35 HG SER 6 HG SER 6 0.756 3.078 -6.743 36 H CYS 7 H CYS 7 0.785 -0.497 -4.396 37 HA CYS 7 HA CYS 7 2.939 -2.323 -3.721 38 HB2 CYS 7 HB2 CYS 7 3.358 0.306 -3.153 39 HB3 CYS 7 HB3 CYS 7 2.551 -0.221 -1.680 40 H VAL 8 H VAL 8 2.520 -2.419 -0.970 41 HA VAL 8 HA VAL 8 -0.353 -2.990 -0.708 42 HB VAL 8 HB VAL 8 1.718 -4.822 0.445 43 HG11 VAL 8 HG11 VAL 8 -1.068 -4.580 0.739 44 HG12 VAL 8 HG12 VAL 8 -0.005 -5.818 1.401 45 HG13 VAL 8 HG13 VAL 8 -0.770 -6.061 -0.169 46 HG21 VAL 8 HG21 VAL 8 0.431 -4.935 -2.262 47 HG22 VAL 8 HG22 VAL 8 1.027 -6.385 -1.453 48 HG23 VAL 8 HG23 VAL 8 2.140 -5.075 -1.848 49 H ASP 9 H ASP 9 -1.185 -2.859 1.349 50 HA ASP 9 HA ASP 9 0.498 -1.409 3.271 51 HB2 ASP 9 HB2 ASP 9 -1.750 -0.774 4.307 52 HB3 ASP 9 HB3 ASP 9 -1.364 -0.053 2.751 53 H PHE 10 H PHE 10 -1.006 -4.390 2.715 54 HA PHE 10 HA PHE 10 -1.354 -6.249 3.968 55 HB2 PHE 10 HB2 PHE 10 1.144 -5.177 4.690 56 HB3 PHE 10 HB3 PHE 10 0.378 -5.661 6.199 57 HD1 PHE 10 HD1 PHE 10 1.492 -7.589 6.841 58 HD2 PHE 10 HD2 PHE 10 0.134 -7.205 2.826 59 HE1 PHE 10 HE1 PHE 10 2.119 -9.928 6.409 60 HE2 PHE 10 HE2 PHE 10 0.758 -9.544 2.387 61 HZ PHE 10 HZ PHE 10 1.752 -10.909 4.180 62 H ALA 11 H ALA 11 -3.012 -3.921 4.512 63 HA ALA 11 HA ALA 11 -3.543 -4.184 7.375 64 HB1 ALA 11 HB1 ALA 11 -5.326 -2.340 6.609 65 HB2 ALA 11 HB2 ALA 11 -4.124 -2.126 5.335 66 HB3 ALA 11 HB3 ALA 11 -3.657 -1.948 7.026 67 H GLY 12 H GLY 12 -4.142 -6.259 5.352 68 HA2 GLY 12 HA2 GLY 12 -5.879 -7.884 5.661 69 HA3 GLY 12 HA3 GLY 12 -6.986 -6.574 6.048 70 H CYS 13 H CYS 13 -6.041 -4.950 3.781 71 HA CYS 13 HA CYS 13 -7.718 -6.185 1.752 72 HB2 CYS 13 HB2 CYS 13 -6.367 -3.481 1.673 73 HB3 CYS 13 HB3 CYS 13 -7.701 -4.034 0.665 74 H GLY 14 H GLY 14 -4.404 -5.018 2.146 75 HA2 GLY 14 HA2 GLY 14 -2.498 -5.959 1.192 76 HA3 GLY 14 HA3 GLY 14 -3.521 -6.908 0.128 77 H TYR 15 H TYR 15 -3.600 -3.388 0.561 78 HA TYR 15 HA TYR 15 -2.262 -3.001 -1.985 79 HB2 TYR 15 HB2 TYR 15 -5.136 -2.171 -1.567 80 HB3 TYR 15 HB3 TYR 15 -4.140 -1.693 -2.937 81 HD1 TYR 15 HD1 TYR 15 -6.204 -4.284 -1.496 82 HD2 TYR 15 HD2 TYR 15 -3.364 -3.445 -4.550 83 HE1 TYR 15 HE1 TYR 15 -6.889 -6.324 -2.685 84 HE2 TYR 15 HE2 TYR 15 -4.042 -5.483 -5.748 85 HH TYR 15 HH TYR 15 -6.051 -7.871 -4.323 86 H ALA 16 H ALA 16 -0.980 -1.316 -1.846 87 HA ALA 16 HA ALA 16 -1.754 1.022 -0.245 88 HB1 ALA 16 HB1 ALA 16 0.922 -0.350 -0.087 89 HB2 ALA 16 HB2 ALA 16 -0.298 -0.286 1.184 90 HB3 ALA 16 HB3 ALA 16 0.513 1.190 0.668 91 H VAL 17 H VAL 17 -1.025 2.970 -0.989 92 HA VAL 17 HA VAL 17 -0.051 2.976 -3.735 93 HB VAL 17 HB VAL 17 -0.728 5.399 -2.066 94 HG11 VAL 17 HG11 VAL 17 -0.442 4.861 -5.006 95 HG12 VAL 17 HG12 VAL 17 0.408 6.045 -4.012 96 HG13 VAL 17 HG13 VAL 17 -1.298 6.275 -4.392 97 HG21 VAL 17 HG21 VAL 17 -2.576 3.567 -2.303 98 HG22 VAL 17 HG22 VAL 17 -2.699 4.187 -3.948 99 HG23 VAL 17 HG23 VAL 17 -2.968 5.263 -2.579 100 H VAL 18 H VAL 18 1.257 2.965 -0.685 101 HA VAL 18 HA VAL 18 3.816 3.935 -1.687 102 HB VAL 18 HB VAL 18 2.846 5.030 0.940 103 HG11 VAL 18 HG11 VAL 18 5.248 5.240 -0.706 104 HG12 VAL 18 HG12 VAL 18 5.019 5.552 1.015 105 HG13 VAL 18 HG13 VAL 18 4.621 6.798 -0.167 106 HG21 VAL 18 HG21 VAL 18 2.424 7.175 -0.285 107 HG22 VAL 18 HG22 VAL 18 1.262 5.893 -0.623 108 HG23 VAL 18 HG23 VAL 18 2.530 6.263 -1.791 109 H CYS 19 H CYS 19 5.616 3.335 -0.325 110 HA CYS 19 HA CYS 19 5.055 1.432 1.814 111 HB2 CYS 19 HB2 CYS 19 6.354 0.763 -0.797 112 HB3 CYS 19 HB3 CYS 19 6.904 -0.051 0.664 113 H PHE 20 H PHE 20 6.367 4.148 1.352 114 HA PHE 20 HA PHE 20 8.663 3.627 3.050 115 HB2 PHE 20 HB2 PHE 20 10.018 5.247 1.523 116 HB3 PHE 20 HB3 PHE 20 9.898 3.548 1.081 117 HD1 PHE 20 HD1 PHE 20 8.713 6.943 0.313 118 HD2 PHE 20 HD2 PHE 20 8.754 2.861 -0.891 119 HE1 PHE 20 HE1 PHE 20 7.810 7.585 -1.884 120 HE2 PHE 20 HE2 PHE 20 7.853 3.496 -3.090 121 HZ PHE 20 HZ PHE 20 7.380 5.861 -3.589 122 H DTR 21 H DTR 21 6.314 4.756 3.786 123 HA DTR 21 HA DTR 21 5.573 7.279 3.668 124 HB2 DTR 21 HB2 DTR 21 7.917 8.075 3.783 125 HB3 DTR 21 HB3 DTR 21 6.950 8.681 5.118 126 HD1 DTR 21 HD1 DTR 21 9.797 6.209 4.383 127 HE1 DTR 21 HE1 DTR 21 10.998 5.676 6.594 128 HZ2 DTR 21 HZ2 DTR 21 10.656 6.200 9.346 129 HH2 DTR 21 HH2 DTR 21 9.118 7.363 10.869 130 HZ3 DTR 21 HZ3 DTR 21 7.154 8.541 10.024 131 HE3 DTR 21 HE3 DTR 21 6.645 8.605 7.618 Start of MODEL 9 1 H1 CYS 1 H1 CYS 1 -4.141 0.193 2.402 2 HA CYS 1 HA CYS 1 -5.184 -2.090 1.152 3 HB2 CYS 1 HB2 CYS 1 -6.008 -2.948 3.135 4 HB3 CYS 1 HB3 CYS 1 -6.219 -1.361 3.860 5 H LEU 2 H LEU 2 -5.494 -0.862 -0.642 6 HA LEU 2 HA LEU 2 -7.714 1.001 -0.575 7 HB2 LEU 2 HB2 LEU 2 -6.100 2.490 -2.139 8 HB3 LEU 2 HB3 LEU 2 -6.363 2.787 -0.433 9 HG LEU 2 HG LEU 2 -4.288 1.170 -0.176 10 HD11 LEU 2 HD11 LEU 2 -2.761 2.041 -2.183 11 HD12 LEU 2 HD12 LEU 2 -4.306 1.956 -3.023 12 HD13 LEU 2 HD13 LEU 2 -3.645 0.517 -2.249 13 HD21 LEU 2 HD21 LEU 2 -4.066 4.054 -1.023 14 HD22 LEU 2 HD22 LEU 2 -2.853 3.139 -0.128 15 HD23 LEU 2 HD23 LEU 2 -4.419 3.479 0.607 16 H GLY 3 H GLY 3 -8.096 1.860 -2.915 17 HA2 GLY 3 HA2 GLY 3 -8.476 -0.459 -4.539 18 HA3 GLY 3 HA3 GLY 3 -8.903 1.189 -4.966 19 H VAL 4 H VAL 4 -5.737 1.323 -4.103 20 HA VAL 4 HA VAL 4 -4.902 1.330 -6.894 21 HB VAL 4 HB VAL 4 -3.128 2.004 -4.562 22 HG11 VAL 4 HG11 VAL 4 -1.763 2.108 -6.361 23 HG12 VAL 4 HG12 VAL 4 -2.472 3.716 -6.514 24 HG13 VAL 4 HG13 VAL 4 -3.089 2.383 -7.491 25 HG21 VAL 4 HG21 VAL 4 -4.515 3.659 -3.993 26 HG22 VAL 4 HG22 VAL 4 -5.523 3.404 -5.417 27 HG23 VAL 4 HG23 VAL 4 -4.085 4.418 -5.525 28 H GLY 5 H GLY 5 -2.748 0.386 -7.453 29 HA2 GLY 5 HA2 GLY 5 -2.159 -2.035 -5.882 30 HA3 GLY 5 HA3 GLY 5 -2.428 -2.151 -7.613 31 H SER 6 H SER 6 -0.654 0.399 -5.907 32 HA SER 6 HA SER 6 1.655 -0.151 -7.599 33 HB2 SER 6 HB2 SER 6 2.412 2.000 -7.075 34 HB3 SER 6 HB3 SER 6 0.660 2.196 -7.060 35 HG SER 6 HG SER 6 2.403 1.921 -4.844 36 H CYS 7 H CYS 7 0.653 -0.314 -4.267 37 HA CYS 7 HA CYS 7 2.944 -1.977 -3.623 38 HB2 CYS 7 HB2 CYS 7 3.180 0.673 -3.048 39 HB3 CYS 7 HB3 CYS 7 2.414 0.091 -1.574 40 H VAL 8 H VAL 8 2.456 -1.935 -0.787 41 HA VAL 8 HA VAL 8 -0.344 -2.799 -0.613 42 HB VAL 8 HB VAL 8 1.861 -4.398 0.627 43 HG11 VAL 8 HG11 VAL 8 -0.339 -6.006 0.257 44 HG12 VAL 8 HG12 VAL 8 -1.028 -4.449 0.710 45 HG13 VAL 8 HG13 VAL 8 0.148 -5.229 1.762 46 HG21 VAL 8 HG21 VAL 8 0.379 -5.144 -1.880 47 HG22 VAL 8 HG22 VAL 8 1.740 -5.985 -1.139 48 HG23 VAL 8 HG23 VAL 8 1.980 -4.405 -1.885 49 H ASP 9 H ASP 9 -1.267 -2.680 1.376 50 HA ASP 9 HA ASP 9 0.175 -1.024 3.329 51 HB2 ASP 9 HB2 ASP 9 -2.182 -0.657 4.276 52 HB3 ASP 9 HB3 ASP 9 -1.809 0.101 2.734 53 H PHE 10 H PHE 10 -1.180 -4.139 2.832 54 HA PHE 10 HA PHE 10 -1.306 -6.003 4.124 55 HB2 PHE 10 HB2 PHE 10 1.016 -4.559 5.018 56 HB3 PHE 10 HB3 PHE 10 0.271 -5.376 6.385 57 HD1 PHE 10 HD1 PHE 10 0.101 -6.703 2.959 58 HD2 PHE 10 HD2 PHE 10 2.074 -6.903 6.725 59 HE1 PHE 10 HE1 PHE 10 1.176 -8.807 2.280 60 HE2 PHE 10 HE2 PHE 10 3.151 -9.008 6.052 61 HZ PHE 10 HZ PHE 10 2.705 -9.963 3.827 62 H ALA 11 H ALA 11 -3.183 -3.824 4.550 63 HA ALA 11 HA ALA 11 -3.763 -4.044 7.407 64 HB1 ALA 11 HB1 ALA 11 -4.046 -1.835 6.970 65 HB2 ALA 11 HB2 ALA 11 -5.671 -2.383 6.556 66 HB3 ALA 11 HB3 ALA 11 -4.480 -2.115 5.283 67 H GLY 12 H GLY 12 -4.133 -6.213 5.414 68 HA2 GLY 12 HA2 GLY 12 -5.751 -7.964 5.809 69 HA3 GLY 12 HA3 GLY 12 -6.977 -6.722 6.015 70 H CYS 13 H CYS 13 -6.072 -5.200 3.679 71 HA CYS 13 HA CYS 13 -7.479 -6.764 1.674 72 HB2 CYS 13 HB2 CYS 13 -6.407 -3.951 1.413 73 HB3 CYS 13 HB3 CYS 13 -7.630 -4.726 0.412 74 H GLY 14 H GLY 14 -4.440 -4.894 1.796 75 HA2 GLY 14 HA2 GLY 14 -2.361 -5.908 1.132 76 HA3 GLY 14 HA3 GLY 14 -3.259 -6.918 0.014 77 H TYR 15 H TYR 15 -3.593 -3.407 0.430 78 HA TYR 15 HA TYR 15 -2.120 -2.938 -2.022 79 HB2 TYR 15 HB2 TYR 15 -5.090 -2.708 -1.830 80 HB3 TYR 15 HB3 TYR 15 -4.214 -1.543 -2.818 81 HD1 TYR 15 HD1 TYR 15 -2.098 -3.165 -4.010 82 HD2 TYR 15 HD2 TYR 15 -6.183 -4.127 -3.311 83 HE1 TYR 15 HE1 TYR 15 -2.029 -4.781 -5.861 84 HE2 TYR 15 HE2 TYR 15 -6.125 -5.747 -5.160 85 HH TYR 15 HH TYR 15 -3.211 -6.757 -6.628 86 H ALA 16 H ALA 16 -0.995 -1.155 -1.862 87 HA ALA 16 HA ALA 16 -2.022 1.184 -0.449 88 HB1 ALA 16 HB1 ALA 16 -0.727 -0.121 1.212 89 HB2 ALA 16 HB2 ALA 16 -0.062 1.479 0.895 90 HB3 ALA 16 HB3 ALA 16 0.693 0.053 0.184 91 H VAL 17 H VAL 17 -1.166 3.122 -1.127 92 HA VAL 17 HA VAL 17 0.173 3.027 -3.712 93 HB VAL 17 HB VAL 17 -0.743 5.491 -2.225 94 HG11 VAL 17 HG11 VAL 17 0.306 4.907 -4.920 95 HG12 VAL 17 HG12 VAL 17 0.440 6.366 -3.938 96 HG13 VAL 17 HG13 VAL 17 -1.041 6.043 -4.839 97 HG21 VAL 17 HG21 VAL 17 -2.641 5.039 -4.148 98 HG22 VAL 17 HG22 VAL 17 -2.823 4.694 -2.429 99 HG23 VAL 17 HG23 VAL 17 -2.324 3.417 -3.536 100 H VAL 18 H VAL 18 1.166 2.901 -0.628 101 HA VAL 18 HA VAL 18 3.677 4.311 -1.248 102 HB VAL 18 HB VAL 18 2.414 4.334 1.490 103 HG11 VAL 18 HG11 VAL 18 4.099 6.232 1.761 104 HG12 VAL 18 HG12 VAL 18 4.846 5.617 0.287 105 HG13 VAL 18 HG13 VAL 18 4.735 4.587 1.714 106 HG21 VAL 18 HG21 VAL 18 1.916 6.714 1.060 107 HG22 VAL 18 HG22 VAL 18 1.008 5.628 0.008 108 HG23 VAL 18 HG23 VAL 18 2.413 6.492 -0.617 109 H CYS 19 H CYS 19 5.515 3.558 0.020 110 HA CYS 19 HA CYS 19 5.193 0.843 1.095 111 HB2 CYS 19 HB2 CYS 19 7.582 1.571 -0.578 112 HB3 CYS 19 HB3 CYS 19 6.988 -0.028 -0.144 113 H PHE 20 H PHE 20 7.242 3.702 0.834 114 HA PHE 20 HA PHE 20 8.097 3.284 3.599 115 HB2 PHE 20 HB2 PHE 20 10.399 4.270 2.628 116 HB3 PHE 20 HB3 PHE 20 10.084 2.544 2.761 117 HD1 PHE 20 HD1 PHE 20 10.156 5.405 0.436 118 HD2 PHE 20 HD2 PHE 20 9.914 1.176 0.840 119 HE1 PHE 20 HE1 PHE 20 10.539 5.156 -1.982 120 HE2 PHE 20 HE2 PHE 20 10.298 0.918 -1.576 121 HZ PHE 20 HZ PHE 20 10.611 2.910 -2.991 122 H DTR 21 H DTR 21 7.388 4.991 4.636 123 HA DTR 21 HA DTR 21 6.313 7.291 3.964 124 HB2 DTR 21 HB2 DTR 21 8.013 8.038 2.475 125 HB3 DTR 21 HB3 DTR 21 8.185 9.012 3.928 126 HD1 DTR 21 HD1 DTR 21 9.694 6.100 5.167 127 HE1 DTR 21 HE1 DTR 21 12.230 5.993 4.734 128 HZ2 DTR 21 HZ2 DTR 21 14.126 7.246 3.059 129 HH2 DTR 21 HH2 DTR 21 14.252 8.955 1.298 130 HZ3 DTR 21 HZ3 DTR 21 12.253 10.128 0.531 131 HE3 DTR 21 HE3 DTR 21 10.042 9.641 1.495 Start of MODEL 10 1 H1 CYS 1 H1 CYS 1 -4.217 -0.086 2.818 2 HA CYS 1 HA CYS 1 -5.336 -2.271 1.482 3 HB2 CYS 1 HB2 CYS 1 -6.321 -3.032 3.445 4 HB3 CYS 1 HB3 CYS 1 -6.459 -1.416 4.125 5 H LEU 2 H LEU 2 -5.468 -1.048 -0.319 6 HA LEU 2 HA LEU 2 -7.440 1.082 -0.346 7 HB2 LEU 2 HB2 LEU 2 -4.590 1.514 -1.227 8 HB3 LEU 2 HB3 LEU 2 -5.912 2.608 -1.582 9 HG LEU 2 HG LEU 2 -5.102 1.903 1.233 10 HD11 LEU 2 HD11 LEU 2 -3.872 3.994 1.299 11 HD12 LEU 2 HD12 LEU 2 -4.225 4.275 -0.406 12 HD13 LEU 2 HD13 LEU 2 -3.201 2.920 0.072 13 HD21 LEU 2 HD21 LEU 2 -6.362 4.474 0.543 14 HD22 LEU 2 HD22 LEU 2 -6.640 3.403 1.916 15 HD23 LEU 2 HD23 LEU 2 -7.380 3.046 0.356 16 H GLY 3 H GLY 3 -7.714 1.912 -2.674 17 HA2 GLY 3 HA2 GLY 3 -7.978 -0.449 -4.358 18 HA3 GLY 3 HA3 GLY 3 -8.686 1.131 -4.659 19 H VAL 4 H VAL 4 -5.355 1.069 -3.827 20 HA VAL 4 HA VAL 4 -4.672 1.956 -6.510 21 HB VAL 4 HB VAL 4 -3.938 3.025 -4.241 22 HG11 VAL 4 HG11 VAL 4 -2.313 2.098 -3.024 23 HG12 VAL 4 HG12 VAL 4 -1.396 1.614 -4.447 24 HG13 VAL 4 HG13 VAL 4 -2.720 0.605 -3.867 25 HG21 VAL 4 HG21 VAL 4 -1.541 3.259 -5.641 26 HG22 VAL 4 HG22 VAL 4 -2.959 4.300 -5.767 27 HG23 VAL 4 HG23 VAL 4 -2.767 2.935 -6.868 28 H GLY 5 H GLY 5 -1.895 1.162 -6.432 29 HA2 GLY 5 HA2 GLY 5 -1.739 -1.684 -6.180 30 HA3 GLY 5 HA3 GLY 5 -1.926 -1.182 -7.853 31 H SER 6 H SER 6 -0.128 0.529 -5.328 32 HA SER 6 HA SER 6 2.286 0.225 -6.975 33 HB2 SER 6 HB2 SER 6 1.875 2.522 -6.643 34 HB3 SER 6 HB3 SER 6 1.427 2.287 -4.953 35 HG SER 6 HG SER 6 4.013 2.082 -6.099 36 H CYS 7 H CYS 7 0.999 -0.202 -3.747 37 HA CYS 7 HA CYS 7 3.112 -2.096 -3.134 38 HB2 CYS 7 HB2 CYS 7 3.417 0.506 -2.265 39 HB3 CYS 7 HB3 CYS 7 2.661 -0.274 -0.881 40 H VAL 8 H VAL 8 2.492 -2.316 -0.365 41 HA VAL 8 HA VAL 8 -0.370 -2.984 -0.390 42 HB VAL 8 HB VAL 8 1.663 -4.824 0.821 43 HG11 VAL 8 HG11 VAL 8 -0.090 -5.917 1.602 44 HG12 VAL 8 HG12 VAL 8 -0.736 -6.095 -0.029 45 HG13 VAL 8 HG13 VAL 8 -1.143 -4.675 0.931 46 HG21 VAL 8 HG21 VAL 8 2.306 -5.227 -1.312 47 HG22 VAL 8 HG22 VAL 8 0.805 -4.598 -1.992 48 HG23 VAL 8 HG23 VAL 8 0.852 -6.225 -1.315 49 H ASP 9 H ASP 9 -1.374 -3.029 1.605 50 HA ASP 9 HA ASP 9 0.073 -1.606 3.728 51 HB2 ASP 9 HB2 ASP 9 -2.285 -1.113 4.583 52 HB3 ASP 9 HB3 ASP 9 -1.796 -0.309 3.097 53 H PHE 10 H PHE 10 -1.353 -4.597 2.919 54 HA PHE 10 HA PHE 10 -1.654 -6.538 4.055 55 HB2 PHE 10 HB2 PHE 10 0.045 -5.319 6.232 56 HB3 PHE 10 HB3 PHE 10 -0.177 -7.028 5.872 57 HD1 PHE 10 HD1 PHE 10 1.825 -4.150 5.320 58 HD2 PHE 10 HD2 PHE 10 0.654 -7.859 3.593 59 HE1 PHE 10 HE1 PHE 10 3.809 -4.094 3.865 60 HE2 PHE 10 HE2 PHE 10 2.636 -7.810 2.136 61 HZ PHE 10 HZ PHE 10 4.216 -5.926 2.271 62 H ALA 11 H ALA 11 -3.506 -4.327 4.456 63 HA ALA 11 HA ALA 11 -4.380 -4.747 7.219 64 HB1 ALA 11 HB1 ALA 11 -4.222 -2.446 5.826 65 HB2 ALA 11 HB2 ALA 11 -5.338 -2.704 7.166 66 HB3 ALA 11 HB3 ALA 11 -5.897 -2.894 5.504 67 H GLY 12 H GLY 12 -4.619 -6.746 5.063 68 HA2 GLY 12 HA2 GLY 12 -6.299 -8.444 5.026 69 HA3 GLY 12 HA3 GLY 12 -7.507 -7.212 5.363 70 H CYS 13 H CYS 13 -6.498 -5.365 3.369 71 HA CYS 13 HA CYS 13 -7.811 -6.532 1.062 72 HB2 CYS 13 HB2 CYS 13 -6.631 -3.762 1.299 73 HB3 CYS 13 HB3 CYS 13 -7.859 -4.313 0.165 74 H GLY 14 H GLY 14 -4.636 -5.328 1.998 75 HA2 GLY 14 HA2 GLY 14 -2.579 -6.011 1.195 76 HA3 GLY 14 HA3 GLY 14 -3.397 -6.972 -0.022 77 H TYR 15 H TYR 15 -3.670 -3.477 0.598 78 HA TYR 15 HA TYR 15 -2.153 -2.907 -1.807 79 HB2 TYR 15 HB2 TYR 15 -5.114 -2.505 -1.599 80 HB3 TYR 15 HB3 TYR 15 -4.148 -1.405 -2.577 81 HD1 TYR 15 HD1 TYR 15 -2.234 -3.015 -3.929 82 HD2 TYR 15 HD2 TYR 15 -6.260 -3.981 -2.949 83 HE1 TYR 15 HE1 TYR 15 -2.297 -4.616 -5.794 84 HE2 TYR 15 HE2 TYR 15 -6.334 -5.585 -4.811 85 HH TYR 15 HH TYR 15 -4.279 -6.988 -6.116 86 H ALA 16 H ALA 16 -0.903 -1.249 -1.416 87 HA ALA 16 HA ALA 16 -1.862 0.960 0.273 88 HB1 ALA 16 HB1 ALA 16 0.835 -0.368 0.451 89 HB2 ALA 16 HB2 ALA 16 -0.425 -0.353 1.685 90 HB3 ALA 16 HB3 ALA 16 0.402 1.142 1.251 91 H VAL 17 H VAL 17 -1.243 2.976 -0.337 92 HA VAL 17 HA VAL 17 -0.135 3.208 -3.021 93 HB VAL 17 HB VAL 17 -1.075 5.463 -1.243 94 HG11 VAL 17 HG11 VAL 17 0.058 6.437 -2.994 95 HG12 VAL 17 HG12 VAL 17 -1.585 6.376 -3.632 96 HG13 VAL 17 HG13 VAL 17 -0.399 5.172 -4.135 97 HG21 VAL 17 HG21 VAL 17 -2.756 3.519 -1.780 98 HG22 VAL 17 HG22 VAL 17 -2.823 4.303 -3.358 99 HG23 VAL 17 HG23 VAL 17 -3.257 5.205 -1.908 100 H VAL 18 H VAL 18 1.068 3.046 0.049 101 HA VAL 18 HA VAL 18 3.545 4.370 -0.766 102 HB VAL 18 HB VAL 18 2.397 4.931 1.962 103 HG11 VAL 18 HG11 VAL 18 4.071 6.953 1.435 104 HG12 VAL 18 HG12 VAL 18 4.823 5.693 0.458 105 HG13 VAL 18 HG13 VAL 18 4.589 5.446 2.189 106 HG21 VAL 18 HG21 VAL 18 0.834 6.035 0.654 107 HG22 VAL 18 HG22 VAL 18 2.006 6.411 -0.610 108 HG23 VAL 18 HG23 VAL 18 2.052 7.283 0.922 109 H CYS 19 H CYS 19 5.383 3.786 0.595 110 HA CYS 19 HA CYS 19 5.027 1.535 2.391 111 HB2 CYS 19 HB2 CYS 19 6.068 1.276 -0.346 112 HB3 CYS 19 HB3 CYS 19 7.091 0.551 0.890 113 H PHE 20 H PHE 20 7.330 3.629 0.707 114 HA PHE 20 HA PHE 20 8.954 3.669 3.164 115 HB2 PHE 20 HB2 PHE 20 10.673 4.547 1.212 116 HB3 PHE 20 HB3 PHE 20 10.610 2.907 1.846 117 HD1 PHE 20 HD1 PHE 20 10.023 1.107 0.474 118 HD2 PHE 20 HD2 PHE 20 9.374 5.089 -0.878 119 HE1 PHE 20 HE1 PHE 20 9.506 0.254 -1.775 120 HE2 PHE 20 HE2 PHE 20 8.854 4.244 -3.130 121 HZ PHE 20 HZ PHE 20 8.920 1.823 -3.580 122 H DTR 21 H DTR 21 7.869 5.562 0.394 123 HA DTR 21 HA DTR 21 8.795 8.015 0.589 124 HB2 DTR 21 HB2 DTR 21 8.483 8.016 3.059 125 HB3 DTR 21 HB3 DTR 21 7.606 9.312 2.264 126 HD1 DTR 21 HD1 DTR 21 6.955 5.905 3.961 127 HE1 DTR 21 HE1 DTR 21 4.514 5.870 4.770 128 HZ2 DTR 21 HZ2 DTR 21 2.219 7.503 4.584 129 HH2 DTR 21 HH2 DTR 21 1.495 9.636 3.604 130 HZ3 DTR 21 HZ3 DTR 21 3.037 11.022 2.315 131 HE3 DTR 21 HE3 DTR 21 5.370 10.330 1.951 Start of MODEL 11 1 H1 CYS 1 H1 CYS 1 -3.816 0.342 2.991 2 HA CYS 1 HA CYS 1 -5.307 -1.932 2.118 3 HB2 CYS 1 HB2 CYS 1 -5.643 -0.903 4.755 4 HB3 CYS 1 HB3 CYS 1 -7.060 -0.451 3.814 5 H LEU 2 H LEU 2 -5.308 -0.941 0.097 6 HA LEU 2 HA LEU 2 -7.228 1.216 -0.191 7 HB2 LEU 2 HB2 LEU 2 -4.381 1.446 -1.145 8 HB3 LEU 2 HB3 LEU 2 -5.681 2.480 -1.706 9 HG LEU 2 HG LEU 2 -4.824 2.271 1.179 10 HD11 LEU 2 HD11 LEU 2 -3.679 4.362 0.880 11 HD12 LEU 2 HD12 LEU 2 -4.170 4.434 -0.813 12 HD13 LEU 2 HD13 LEU 2 -3.046 3.188 -0.272 13 HD21 LEU 2 HD21 LEU 2 -7.189 3.161 0.183 14 HD22 LEU 2 HD22 LEU 2 -6.235 4.644 0.189 15 HD23 LEU 2 HD23 LEU 2 -6.454 3.730 1.682 16 H GLY 3 H GLY 3 -7.692 1.658 -2.538 17 HA2 GLY 3 HA2 GLY 3 -7.895 -0.912 -3.902 18 HA3 GLY 3 HA3 GLY 3 -8.758 0.561 -4.321 19 H VAL 4 H VAL 4 -5.352 0.738 -3.762 20 HA VAL 4 HA VAL 4 -4.949 1.447 -6.555 21 HB VAL 4 HB VAL 4 -4.065 2.729 -4.477 22 HG11 VAL 4 HG11 VAL 4 -2.735 0.364 -4.006 23 HG12 VAL 4 HG12 VAL 4 -2.387 1.925 -3.268 24 HG13 VAL 4 HG13 VAL 4 -1.494 1.410 -4.696 25 HG21 VAL 4 HG21 VAL 4 -3.281 2.592 -7.151 26 HG22 VAL 4 HG22 VAL 4 -1.784 2.655 -6.221 27 HG23 VAL 4 HG23 VAL 4 -3.002 3.913 -6.017 28 H GLY 5 H GLY 5 -2.149 0.753 -6.700 29 HA2 GLY 5 HA2 GLY 5 -1.925 -2.087 -6.287 30 HA3 GLY 5 HA3 GLY 5 -2.189 -1.653 -7.967 31 H SER 6 H SER 6 -0.358 0.430 -5.841 32 HA SER 6 HA SER 6 2.002 -0.041 -7.494 33 HB2 SER 6 HB2 SER 6 2.870 1.948 -6.049 34 HB3 SER 6 HB3 SER 6 1.648 2.261 -7.281 35 HG SER 6 HG SER 6 1.042 1.745 -4.560 36 H CYS 7 H CYS 7 0.891 -0.289 -4.184 37 HA CYS 7 HA CYS 7 3.038 -2.145 -3.572 38 HB2 CYS 7 HB2 CYS 7 3.066 0.597 -2.668 39 HB3 CYS 7 HB3 CYS 7 2.913 -0.485 -1.289 40 H VAL 8 H VAL 8 2.570 -2.315 -0.802 41 HA VAL 8 HA VAL 8 -0.311 -2.879 -0.633 42 HB VAL 8 HB VAL 8 1.725 -4.762 0.497 43 HG11 VAL 8 HG11 VAL 8 -0.033 -5.662 1.486 44 HG12 VAL 8 HG12 VAL 8 -0.707 -6.035 -0.100 45 HG13 VAL 8 HG13 VAL 8 -1.106 -4.512 0.692 46 HG21 VAL 8 HG21 VAL 8 2.203 -5.250 -1.662 47 HG22 VAL 8 HG22 VAL 8 0.686 -4.576 -2.258 48 HG23 VAL 8 HG23 VAL 8 0.714 -6.186 -1.538 49 H ASP 9 H ASP 9 -1.202 -2.799 1.390 50 HA ASP 9 HA ASP 9 0.455 -1.465 3.423 51 HB2 ASP 9 HB2 ASP 9 -1.697 -0.659 4.398 52 HB3 ASP 9 HB3 ASP 9 -1.391 -0.062 2.775 53 H PHE 10 H PHE 10 -1.145 -4.357 2.704 54 HA PHE 10 HA PHE 10 -1.613 -6.247 3.875 55 HB2 PHE 10 HB2 PHE 10 0.450 -5.243 5.837 56 HB3 PHE 10 HB3 PHE 10 0.004 -6.914 5.510 57 HD1 PHE 10 HD1 PHE 10 0.612 -7.936 3.321 58 HD2 PHE 10 HD2 PHE 10 2.070 -4.129 4.540 59 HE1 PHE 10 HE1 PHE 10 2.397 -8.085 1.634 60 HE2 PHE 10 HE2 PHE 10 3.858 -4.270 2.856 61 HZ PHE 10 HZ PHE 10 4.023 -6.250 1.400 62 H ALA 11 H ALA 11 -3.307 -4.031 4.454 63 HA ALA 11 HA ALA 11 -3.838 -4.402 7.317 64 HB1 ALA 11 HB1 ALA 11 -5.493 -2.387 6.655 65 HB2 ALA 11 HB2 ALA 11 -4.212 -2.139 5.469 66 HB3 ALA 11 HB3 ALA 11 -3.830 -2.148 7.191 67 H GLY 12 H GLY 12 -4.554 -6.210 5.049 68 HA2 GLY 12 HA2 GLY 12 -6.402 -7.750 5.256 69 HA3 GLY 12 HA3 GLY 12 -7.420 -6.397 5.721 70 H CYS 13 H CYS 13 -5.821 -5.027 3.338 71 HA CYS 13 HA CYS 13 -7.753 -5.919 1.309 72 HB2 CYS 13 HB2 CYS 13 -6.178 -3.348 1.241 73 HB3 CYS 13 HB3 CYS 13 -7.615 -3.761 0.317 74 H GLY 14 H GLY 14 -4.366 -5.206 1.918 75 HA2 GLY 14 HA2 GLY 14 -2.522 -6.219 0.938 76 HA3 GLY 14 HA3 GLY 14 -3.595 -7.014 -0.201 77 H TYR 15 H TYR 15 -3.680 -3.545 0.296 78 HA TYR 15 HA TYR 15 -2.022 -3.074 -2.034 79 HB2 TYR 15 HB2 TYR 15 -4.978 -2.858 -2.060 80 HB3 TYR 15 HB3 TYR 15 -4.085 -1.568 -2.858 81 HD1 TYR 15 HD1 TYR 15 -5.922 -4.101 -3.787 82 HD2 TYR 15 HD2 TYR 15 -1.807 -3.039 -4.008 83 HE1 TYR 15 HE1 TYR 15 -5.668 -5.522 -5.777 84 HE2 TYR 15 HE2 TYR 15 -1.543 -4.457 -5.999 85 HH TYR 15 HH TYR 15 -3.533 -6.792 -6.872 86 H ALA 16 H ALA 16 -0.898 -1.296 -1.833 87 HA ALA 16 HA ALA 16 -1.891 0.937 -0.204 88 HB1 ALA 16 HB1 ALA 16 0.847 -0.299 -0.001 89 HB2 ALA 16 HB2 ALA 16 -0.401 -0.281 1.242 90 HB3 ALA 16 HB3 ALA 16 0.370 1.224 0.748 91 H VAL 17 H VAL 17 -1.241 2.962 -0.854 92 HA VAL 17 HA VAL 17 -0.213 3.115 -3.575 93 HB VAL 17 HB VAL 17 -1.106 5.405 -1.816 94 HG11 VAL 17 HG11 VAL 17 -1.606 5.800 -4.586 95 HG12 VAL 17 HG12 VAL 17 0.066 5.273 -4.396 96 HG13 VAL 17 HG13 VAL 17 -0.516 6.691 -3.524 97 HG21 VAL 17 HG21 VAL 17 -3.297 5.195 -2.578 98 HG22 VAL 17 HG22 VAL 17 -2.825 3.532 -2.226 99 HG23 VAL 17 HG23 VAL 17 -2.837 4.112 -3.891 100 H VAL 18 H VAL 18 1.118 2.883 -0.617 101 HA VAL 18 HA VAL 18 3.576 4.182 -1.486 102 HB VAL 18 HB VAL 18 2.521 4.806 1.265 103 HG11 VAL 18 HG11 VAL 18 4.800 5.144 1.305 104 HG12 VAL 18 HG12 VAL 18 4.214 6.742 0.843 105 HG13 VAL 18 HG13 VAL 18 4.862 5.652 -0.383 106 HG21 VAL 18 HG21 VAL 18 0.986 5.769 -0.388 107 HG22 VAL 18 HG22 VAL 18 2.346 6.557 -1.187 108 HG23 VAL 18 HG23 VAL 18 1.900 7.019 0.456 109 H CYS 19 H CYS 19 5.434 3.539 -0.223 110 HA CYS 19 HA CYS 19 5.005 1.150 1.429 111 HB2 CYS 19 HB2 CYS 19 6.426 1.345 -1.118 112 HB3 CYS 19 HB3 CYS 19 7.407 0.640 0.162 113 H PHE 20 H PHE 20 7.257 3.685 0.441 114 HA PHE 20 HA PHE 20 8.470 3.549 3.122 115 HB2 PHE 20 HB2 PHE 20 10.421 4.769 1.781 116 HB3 PHE 20 HB3 PHE 20 10.304 3.015 1.857 117 HD1 PHE 20 HD1 PHE 20 9.329 1.769 -0.067 118 HD2 PHE 20 HD2 PHE 20 10.217 5.926 -0.263 119 HE1 PHE 20 HE1 PHE 20 9.253 1.665 -2.524 120 HE2 PHE 20 HE2 PHE 20 10.142 5.830 -2.721 121 HZ PHE 20 HZ PHE 20 9.659 3.697 -3.854 122 H DTR 21 H DTR 21 7.047 5.040 4.001 123 HA DTR 21 HA DTR 21 5.943 7.314 3.283 124 HB2 DTR 21 HB2 DTR 21 7.843 8.287 2.223 125 HB3 DTR 21 HB3 DTR 21 7.638 9.150 3.742 126 HD1 DTR 21 HD1 DTR 21 9.079 6.497 5.312 127 HE1 DTR 21 HE1 DTR 21 11.653 6.492 5.321 128 HZ2 DTR 21 HZ2 DTR 21 13.757 7.708 3.885 129 HH2 DTR 21 HH2 DTR 21 14.116 9.279 2.030 130 HZ3 DTR 21 HZ3 DTR 21 12.233 10.281 0.842 131 HE3 DTR 21 HE3 DTR 21 9.911 9.755 1.461 Start of MODEL 12 1 H1 CYS 1 H1 CYS 1 -3.837 0.258 2.992 2 HA CYS 1 HA CYS 1 -5.348 -1.948 2.070 3 HB2 CYS 1 HB2 CYS 1 -5.771 -0.895 4.721 4 HB3 CYS 1 HB3 CYS 1 -7.173 -0.562 3.712 5 H LEU 2 H LEU 2 -5.368 -0.934 0.077 6 HA LEU 2 HA LEU 2 -7.167 1.333 -0.148 7 HB2 LEU 2 HB2 LEU 2 -4.322 1.418 -1.133 8 HB3 LEU 2 HB3 LEU 2 -5.569 2.534 -1.660 9 HG LEU 2 HG LEU 2 -4.815 2.231 1.238 10 HD11 LEU 2 HD11 LEU 2 -3.032 3.563 1.032 11 HD12 LEU 2 HD12 LEU 2 -3.819 4.591 -0.167 12 HD13 LEU 2 HD13 LEU 2 -3.056 3.081 -0.665 13 HD21 LEU 2 HD21 LEU 2 -6.745 3.413 1.307 14 HD22 LEU 2 HD22 LEU 2 -6.585 3.983 -0.355 15 HD23 LEU 2 HD23 LEU 2 -5.660 4.753 0.934 16 H GLY 3 H GLY 3 -7.504 1.890 -2.540 17 HA2 GLY 3 HA2 GLY 3 -7.992 -0.634 -3.914 18 HA3 GLY 3 HA3 GLY 3 -8.651 0.935 -4.352 19 H VAL 4 H VAL 4 -5.316 1.027 -3.736 20 HA VAL 4 HA VAL 4 -4.795 1.288 -6.604 21 HB VAL 4 HB VAL 4 -2.755 1.868 -4.483 22 HG11 VAL 4 HG11 VAL 4 -1.642 2.377 -6.352 23 HG12 VAL 4 HG12 VAL 4 -2.665 3.811 -6.432 24 HG13 VAL 4 HG13 VAL 4 -3.108 2.362 -7.331 25 HG21 VAL 4 HG21 VAL 4 -5.283 3.308 -4.956 26 HG22 VAL 4 HG22 VAL 4 -3.835 4.311 -4.887 27 HG23 VAL 4 HG23 VAL 4 -4.250 3.266 -3.528 28 H GLY 5 H GLY 5 -2.622 0.462 -7.384 29 HA2 GLY 5 HA2 GLY 5 -1.975 -2.111 -6.092 30 HA3 GLY 5 HA3 GLY 5 -2.230 -2.001 -7.825 31 H SER 6 H SER 6 -0.502 0.369 -5.856 32 HA SER 6 HA SER 6 1.865 -0.077 -7.513 33 HB2 SER 6 HB2 SER 6 2.518 2.020 -5.885 34 HB3 SER 6 HB3 SER 6 1.737 2.186 -7.457 35 HG SER 6 HG SER 6 0.240 3.140 -6.329 36 H CYS 7 H CYS 7 0.733 -0.331 -4.235 37 HA CYS 7 HA CYS 7 3.035 -1.951 -3.525 38 HB2 CYS 7 HB2 CYS 7 3.098 0.716 -2.851 39 HB3 CYS 7 HB3 CYS 7 2.382 -0.007 -1.415 40 H VAL 8 H VAL 8 2.420 -2.009 -0.724 41 HA VAL 8 HA VAL 8 -0.385 -2.808 -0.609 42 HB VAL 8 HB VAL 8 1.778 -4.662 0.324 43 HG11 VAL 8 HG11 VAL 8 -1.085 -4.556 0.686 44 HG12 VAL 8 HG12 VAL 8 0.123 -5.526 1.522 45 HG13 VAL 8 HG13 VAL 8 -0.558 -6.089 -0.004 46 HG21 VAL 8 HG21 VAL 8 1.025 -6.123 -1.577 47 HG22 VAL 8 HG22 VAL 8 1.916 -4.676 -2.051 48 HG23 VAL 8 HG23 VAL 8 0.160 -4.722 -2.209 49 H ASP 9 H ASP 9 -1.239 -2.892 1.421 50 HA ASP 9 HA ASP 9 0.393 -1.640 3.529 51 HB2 ASP 9 HB2 ASP 9 -1.772 -0.869 4.516 52 HB3 ASP 9 HB3 ASP 9 -1.423 -0.177 2.939 53 H PHE 10 H PHE 10 -1.266 -4.451 2.624 54 HA PHE 10 HA PHE 10 -1.817 -6.385 3.667 55 HB2 PHE 10 HB2 PHE 10 0.773 -5.622 4.496 56 HB3 PHE 10 HB3 PHE 10 -0.039 -6.255 5.925 57 HD1 PHE 10 HD1 PHE 10 0.930 -8.336 6.263 58 HD2 PHE 10 HD2 PHE 10 -0.423 -7.267 2.372 59 HE1 PHE 10 HE1 PHE 10 1.358 -10.632 5.487 60 HE2 PHE 10 HE2 PHE 10 0.002 -9.560 1.589 61 HZ PHE 10 HZ PHE 10 0.893 -11.246 3.148 62 H ALA 11 H ALA 11 -3.292 -4.035 4.476 63 HA ALA 11 HA ALA 11 -3.819 -4.565 7.303 64 HB1 ALA 11 HB1 ALA 11 -5.459 -2.512 6.757 65 HB2 ALA 11 HB2 ALA 11 -4.230 -2.250 5.519 66 HB3 ALA 11 HB3 ALA 11 -3.770 -2.303 7.221 67 H GLY 12 H GLY 12 -4.600 -6.294 4.992 68 HA2 GLY 12 HA2 GLY 12 -6.476 -7.819 5.237 69 HA3 GLY 12 HA3 GLY 12 -7.471 -6.441 5.679 70 H CYS 13 H CYS 13 -5.828 -5.116 3.318 71 HA CYS 13 HA CYS 13 -7.696 -6.039 1.240 72 HB2 CYS 13 HB2 CYS 13 -6.266 -3.391 1.190 73 HB3 CYS 13 HB3 CYS 13 -7.723 -3.866 0.327 74 H GLY 14 H GLY 14 -4.371 -5.312 2.026 75 HA2 GLY 14 HA2 GLY 14 -2.439 -6.093 1.045 76 HA3 GLY 14 HA3 GLY 14 -3.429 -6.992 -0.093 77 H TYR 15 H TYR 15 -3.601 -3.504 0.426 78 HA TYR 15 HA TYR 15 -2.089 -3.002 -1.996 79 HB2 TYR 15 HB2 TYR 15 -5.050 -2.635 -1.795 80 HB3 TYR 15 HB3 TYR 15 -4.107 -1.546 -2.806 81 HD1 TYR 15 HD1 TYR 15 -6.250 -3.978 -3.259 82 HD2 TYR 15 HD2 TYR 15 -2.100 -3.351 -3.959 83 HE1 TYR 15 HE1 TYR 15 -6.313 -5.635 -5.075 84 HE2 TYR 15 HE2 TYR 15 -2.151 -5.005 -5.778 85 HH TYR 15 HH TYR 15 -3.686 -6.066 -7.265 86 H ALA 16 H ALA 16 -0.912 -1.269 -1.763 87 HA ALA 16 HA ALA 16 -1.874 1.046 -0.257 88 HB1 ALA 16 HB1 ALA 16 0.828 -0.182 0.247 89 HB2 ALA 16 HB2 ALA 16 -0.560 -0.329 1.320 90 HB3 ALA 16 HB3 ALA 16 0.154 1.253 1.019 91 H VAL 17 H VAL 17 -1.134 2.983 -1.004 92 HA VAL 17 HA VAL 17 0.252 2.901 -3.564 93 HB VAL 17 HB VAL 17 -0.433 5.550 -2.476 94 HG11 VAL 17 HG11 VAL 17 0.163 4.515 -4.921 95 HG12 VAL 17 HG12 VAL 17 -0.627 6.068 -4.649 96 HG13 VAL 17 HG13 VAL 17 -1.594 4.638 -5.007 97 HG21 VAL 17 HG21 VAL 17 -2.398 4.807 -1.603 98 HG22 VAL 17 HG22 VAL 17 -2.479 3.407 -2.671 99 HG23 VAL 17 HG23 VAL 17 -2.904 5.007 -3.279 100 H VAL 18 H VAL 18 1.174 2.960 -0.432 101 HA VAL 18 HA VAL 18 3.659 4.394 -1.094 102 HB VAL 18 HB VAL 18 2.320 4.598 1.600 103 HG11 VAL 18 HG11 VAL 18 4.828 5.653 0.396 104 HG12 VAL 18 HG12 VAL 18 4.531 5.020 2.015 105 HG13 VAL 18 HG13 VAL 18 3.979 6.639 1.586 106 HG21 VAL 18 HG21 VAL 18 2.242 6.466 -0.754 107 HG22 VAL 18 HG22 VAL 18 1.919 6.999 0.896 108 HG23 VAL 18 HG23 VAL 18 0.888 5.782 0.144 109 H CYS 19 H CYS 19 5.484 3.798 0.297 110 HA CYS 19 HA CYS 19 5.220 1.298 1.762 111 HB2 CYS 19 HB2 CYS 19 7.510 1.273 -0.093 112 HB3 CYS 19 HB3 CYS 19 6.437 -0.034 0.389 113 H PHE 20 H PHE 20 7.427 3.800 0.583 114 HA PHE 20 HA PHE 20 9.000 3.522 3.050 115 HB2 PHE 20 HB2 PHE 20 10.089 5.328 1.020 116 HB3 PHE 20 HB3 PHE 20 10.860 3.995 1.870 117 HD1 PHE 20 HD1 PHE 20 9.023 5.002 -1.115 118 HD2 PHE 20 HD2 PHE 20 10.844 1.754 0.946 119 HE1 PHE 20 HE1 PHE 20 8.943 3.657 -3.173 120 HE2 PHE 20 HE2 PHE 20 10.768 0.403 -1.108 121 HZ PHE 20 HZ PHE 20 9.818 1.354 -3.172 122 H DTR 21 H DTR 21 6.475 5.262 1.987 123 HA DTR 21 HA DTR 21 5.705 7.420 2.222 124 HB2 DTR 21 HB2 DTR 21 7.060 9.236 2.954 125 HB3 DTR 21 HB3 DTR 21 8.229 8.158 3.706 126 HD1 DTR 21 HD1 DTR 21 7.035 7.345 0.188 127 HE1 DTR 21 HE1 DTR 21 8.971 7.727 -1.464 128 HZ2 DTR 21 HZ2 DTR 21 11.567 8.838 -1.433 129 HH2 DTR 21 HH2 DTR 21 13.138 9.917 0.117 130 HZ3 DTR 21 HZ3 DTR 21 12.551 10.290 2.457 131 HE3 DTR 21 HE3 DTR 21 10.364 9.597 3.346 Start of MODEL 13 1 H1 CYS 1 H1 CYS 1 -3.932 0.421 2.666 2 HA CYS 1 HA CYS 1 -5.348 -1.791 1.712 3 HB2 CYS 1 HB2 CYS 1 -6.104 -0.542 4.288 4 HB3 CYS 1 HB3 CYS 1 -7.410 -0.738 3.124 5 H LEU 2 H LEU 2 -5.436 -0.806 -0.265 6 HA LEU 2 HA LEU 2 -7.171 1.512 -0.487 7 HB2 LEU 2 HB2 LEU 2 -4.382 1.526 -1.636 8 HB3 LEU 2 HB3 LEU 2 -5.606 2.750 -1.914 9 HG LEU 2 HG LEU 2 -4.402 2.108 0.779 10 HD11 LEU 2 HD11 LEU 2 -2.775 3.584 0.402 11 HD12 LEU 2 HD12 LEU 2 -3.876 4.733 -0.357 12 HD13 LEU 2 HD13 LEU 2 -3.179 3.421 -1.306 13 HD21 LEU 2 HD21 LEU 2 -5.859 3.531 1.703 14 HD22 LEU 2 HD22 LEU 2 -6.811 3.292 0.239 15 HD23 LEU 2 HD23 LEU 2 -5.729 4.677 0.369 16 H GLY 3 H GLY 3 -7.553 2.061 -2.863 17 HA2 GLY 3 HA2 GLY 3 -8.143 -0.440 -4.222 18 HA3 GLY 3 HA3 GLY 3 -8.714 1.157 -4.679 19 H VAL 4 H VAL 4 -5.417 1.262 -4.104 20 HA VAL 4 HA VAL 4 -4.885 1.236 -6.986 21 HB VAL 4 HB VAL 4 -3.066 2.254 -4.805 22 HG11 VAL 4 HG11 VAL 4 -2.316 3.675 -6.850 23 HG12 VAL 4 HG12 VAL 4 -3.081 2.393 -7.789 24 HG13 VAL 4 HG13 VAL 4 -1.756 2.010 -6.691 25 HG21 VAL 4 HG21 VAL 4 -5.450 3.467 -6.048 26 HG22 VAL 4 HG22 VAL 4 -4.024 4.499 -5.944 27 HG23 VAL 4 HG23 VAL 4 -4.700 3.781 -4.483 28 H GLY 5 H GLY 5 -2.790 0.344 -7.723 29 HA2 GLY 5 HA2 GLY 5 -1.989 -1.983 -6.088 30 HA3 GLY 5 HA3 GLY 5 -2.201 -2.082 -7.828 31 H SER 6 H SER 6 -0.495 0.184 -5.653 32 HA SER 6 HA SER 6 1.858 -0.077 -7.401 33 HB2 SER 6 HB2 SER 6 2.449 2.028 -5.774 34 HB3 SER 6 HB3 SER 6 1.644 2.185 -7.335 35 HG SER 6 HG SER 6 0.204 3.148 -6.107 36 H CYS 7 H CYS 7 0.722 -0.303 -4.108 37 HA CYS 7 HA CYS 7 3.018 -1.929 -3.392 38 HB2 CYS 7 HB2 CYS 7 2.900 0.812 -2.667 39 HB3 CYS 7 HB3 CYS 7 2.566 -0.112 -1.207 40 H VAL 8 H VAL 8 2.465 -1.987 -0.599 41 HA VAL 8 HA VAL 8 -0.348 -2.812 -0.475 42 HB VAL 8 HB VAL 8 1.806 -4.512 0.717 43 HG11 VAL 8 HG11 VAL 8 -1.024 -4.473 0.887 44 HG12 VAL 8 HG12 VAL 8 0.115 -5.564 1.670 45 HG13 VAL 8 HG13 VAL 8 -0.531 -5.958 0.077 46 HG21 VAL 8 HG21 VAL 8 0.966 -6.049 -1.305 47 HG22 VAL 8 HG22 VAL 8 2.363 -4.980 -1.432 48 HG23 VAL 8 HG23 VAL 8 0.798 -4.464 -2.059 49 H ASP 9 H ASP 9 -1.276 -2.739 1.523 50 HA ASP 9 HA ASP 9 0.265 -1.297 3.573 51 HB2 ASP 9 HB2 ASP 9 -2.002 -0.660 4.507 52 HB3 ASP 9 HB3 ASP 9 -1.582 0.058 2.961 53 H PHE 10 H PHE 10 -1.074 -4.290 2.854 54 HA PHE 10 HA PHE 10 -1.491 -6.184 4.038 55 HB2 PHE 10 HB2 PHE 10 0.979 -5.374 4.668 56 HB3 PHE 10 HB3 PHE 10 0.255 -5.287 6.271 57 HD1 PHE 10 HD1 PHE 10 0.344 -7.632 3.367 58 HD2 PHE 10 HD2 PHE 10 0.448 -7.144 7.593 59 HE1 PHE 10 HE1 PHE 10 0.660 -10.058 3.635 60 HE2 PHE 10 HE2 PHE 10 0.766 -9.568 7.869 61 HZ PHE 10 HZ PHE 10 0.873 -11.028 5.889 62 H ALA 11 H ALA 11 -3.256 -3.939 4.571 63 HA ALA 11 HA ALA 11 -3.873 -4.288 7.407 64 HB1 ALA 11 HB1 ALA 11 -4.471 -2.205 5.399 65 HB2 ALA 11 HB2 ALA 11 -4.063 -2.051 7.108 66 HB3 ALA 11 HB3 ALA 11 -5.701 -2.496 6.629 67 H GLY 12 H GLY 12 -4.335 -6.323 5.287 68 HA2 GLY 12 HA2 GLY 12 -6.018 -8.026 5.546 69 HA3 GLY 12 HA3 GLY 12 -7.185 -6.764 5.907 70 H CYS 13 H CYS 13 -5.867 -5.256 3.548 71 HA CYS 13 HA CYS 13 -7.565 -6.495 1.505 72 HB2 CYS 13 HB2 CYS 13 -6.271 -3.807 1.179 73 HB3 CYS 13 HB3 CYS 13 -7.782 -4.401 0.501 74 H GLY 14 H GLY 14 -4.336 -5.136 1.995 75 HA2 GLY 14 HA2 GLY 14 -2.349 -6.075 1.172 76 HA3 GLY 14 HA3 GLY 14 -3.290 -7.019 0.030 77 H TYR 15 H TYR 15 -3.592 -3.530 0.506 78 HA TYR 15 HA TYR 15 -2.060 -3.013 -1.902 79 HB2 TYR 15 HB2 TYR 15 -4.958 -2.189 -1.778 80 HB3 TYR 15 HB3 TYR 15 -3.845 -1.967 -3.123 81 HD1 TYR 15 HD1 TYR 15 -6.023 -4.310 -1.378 82 HD2 TYR 15 HD2 TYR 15 -3.182 -3.877 -4.515 83 HE1 TYR 15 HE1 TYR 15 -6.736 -6.469 -2.314 84 HE2 TYR 15 HE2 TYR 15 -3.889 -6.034 -5.461 85 HH TYR 15 HH TYR 15 -6.690 -7.557 -4.676 86 H ALA 16 H ALA 16 -0.960 -1.229 -1.714 87 HA ALA 16 HA ALA 16 -2.007 1.083 -0.274 88 HB1 ALA 16 HB1 ALA 16 0.716 -0.045 0.338 89 HB2 ALA 16 HB2 ALA 16 -0.700 -0.234 1.367 90 HB3 ALA 16 HB3 ALA 16 -0.041 1.370 1.069 91 H VAL 17 H VAL 17 -1.262 3.025 -1.026 92 HA VAL 17 HA VAL 17 0.174 2.919 -3.556 93 HB VAL 17 HB VAL 17 -1.040 5.314 -2.164 94 HG11 VAL 17 HG11 VAL 17 0.307 4.900 -4.786 95 HG12 VAL 17 HG12 VAL 17 0.396 6.266 -3.674 96 HG13 VAL 17 HG13 VAL 17 -1.027 6.049 -4.693 97 HG21 VAL 17 HG21 VAL 17 -3.045 4.856 -3.069 98 HG22 VAL 17 HG22 VAL 17 -2.439 3.201 -3.140 99 HG23 VAL 17 HG23 VAL 17 -2.340 4.237 -4.563 100 H VAL 18 H VAL 18 1.072 2.941 -0.445 101 HA VAL 18 HA VAL 18 3.418 4.658 -0.958 102 HB VAL 18 HB VAL 18 2.335 5.740 0.792 103 HG11 VAL 18 HG11 VAL 18 0.629 4.055 1.225 104 HG12 VAL 18 HG12 VAL 18 1.337 4.640 2.731 105 HG13 VAL 18 HG13 VAL 18 1.812 3.069 2.085 106 HG21 VAL 18 HG21 VAL 18 4.679 5.354 1.335 107 HG22 VAL 18 HG22 VAL 18 4.248 3.858 2.163 108 HG23 VAL 18 HG23 VAL 18 3.689 5.407 2.792 109 H CYS 19 H CYS 19 5.395 3.987 0.110 110 HA CYS 19 HA CYS 19 5.547 1.149 0.797 111 HB2 CYS 19 HB2 CYS 19 7.481 2.359 -1.171 112 HB3 CYS 19 HB3 CYS 19 7.291 0.662 -0.744 113 H PHE 20 H PHE 20 7.559 4.034 0.308 114 HA PHE 20 HA PHE 20 9.115 3.301 2.677 115 HB2 PHE 20 HB2 PHE 20 10.849 4.663 1.866 116 HB3 PHE 20 HB3 PHE 20 10.186 3.911 0.420 117 HD1 PHE 20 HD1 PHE 20 8.509 5.259 -0.953 118 HD2 PHE 20 HD2 PHE 20 11.001 6.975 2.040 119 HE1 PHE 20 HE1 PHE 20 8.169 7.484 -1.949 120 HE2 PHE 20 HE2 PHE 20 10.664 9.202 1.050 121 HZ PHE 20 HZ PHE 20 9.247 9.458 -0.947 122 H DTR 21 H DTR 21 6.361 4.820 2.299 123 HA DTR 21 HA DTR 21 5.318 6.706 3.114 124 HB2 DTR 21 HB2 DTR 21 7.584 7.704 4.729 125 HB3 DTR 21 HB3 DTR 21 7.837 7.701 2.986 126 HD1 DTR 21 HD1 DTR 21 6.337 9.358 1.520 127 HE1 DTR 21 HE1 DTR 21 4.965 11.443 2.145 128 HZ2 DTR 21 HZ2 DTR 21 3.931 12.651 4.477 129 HH2 DTR 21 HH2 DTR 21 3.854 12.303 6.907 130 HZ3 DTR 21 HZ3 DTR 21 4.929 10.371 7.942 131 HE3 DTR 21 HE3 DTR 21 6.129 8.704 6.587 Start of MODEL 14 1 H1 CYS 1 H1 CYS 1 -4.079 0.192 2.607 2 HA CYS 1 HA CYS 1 -5.238 -2.043 1.376 3 HB2 CYS 1 HB2 CYS 1 -6.128 -2.697 3.445 4 HB3 CYS 1 HB3 CYS 1 -6.359 -1.037 3.978 5 H LEU 2 H LEU 2 -5.392 -0.864 -0.470 6 HA LEU 2 HA LEU 2 -7.388 1.243 -0.529 7 HB2 LEU 2 HB2 LEU 2 -4.593 1.703 -1.566 8 HB3 LEU 2 HB3 LEU 2 -5.945 2.808 -1.731 9 HG LEU 2 HG LEU 2 -4.762 1.974 0.917 10 HD11 LEU 2 HD11 LEU 2 -4.400 4.633 -0.423 11 HD12 LEU 2 HD12 LEU 2 -3.251 3.311 -0.633 12 HD13 LEU 2 HD13 LEU 2 -3.548 3.975 0.974 13 HD21 LEU 2 HD21 LEU 2 -6.310 3.258 1.926 14 HD22 LEU 2 HD22 LEU 2 -7.233 2.963 0.452 15 HD23 LEU 2 HD23 LEU 2 -6.313 4.457 0.632 16 H GLY 3 H GLY 3 -7.723 1.995 -2.873 17 HA2 GLY 3 HA2 GLY 3 -8.181 -0.361 -4.447 18 HA3 GLY 3 HA3 GLY 3 -8.589 1.288 -4.894 19 H VAL 4 H VAL 4 -5.436 1.456 -4.060 20 HA VAL 4 HA VAL 4 -4.601 1.364 -6.849 21 HB VAL 4 HB VAL 4 -2.882 2.179 -4.514 22 HG11 VAL 4 HG11 VAL 4 -2.780 2.491 -7.473 23 HG12 VAL 4 HG12 VAL 4 -1.493 2.097 -6.334 24 HG13 VAL 4 HG13 VAL 4 -2.081 3.755 -6.461 25 HG21 VAL 4 HG21 VAL 4 -3.707 4.545 -5.441 26 HG22 VAL 4 HG22 VAL 4 -4.521 3.702 -4.123 27 HG23 VAL 4 HG23 VAL 4 -5.160 3.599 -5.764 28 H GLY 5 H GLY 5 -2.394 0.435 -7.340 29 HA2 GLY 5 HA2 GLY 5 -1.836 -1.937 -5.688 30 HA3 GLY 5 HA3 GLY 5 -2.060 -2.101 -7.420 31 H SER 6 H SER 6 -0.299 0.454 -5.681 32 HA SER 6 HA SER 6 2.047 -0.150 -7.315 33 HB2 SER 6 HB2 SER 6 1.998 2.073 -5.309 34 HB3 SER 6 HB3 SER 6 2.771 2.011 -6.893 35 HG SER 6 HG SER 6 0.637 3.254 -6.454 36 H CYS 7 H CYS 7 0.937 -0.182 -4.023 37 HA CYS 7 HA CYS 7 3.132 -1.905 -3.222 38 HB2 CYS 7 HB2 CYS 7 3.807 0.526 -2.785 39 HB3 CYS 7 HB3 CYS 7 2.502 0.575 -1.609 40 H VAL 8 H VAL 8 2.623 -2.422 -0.681 41 HA VAL 8 HA VAL 8 -0.292 -2.837 -0.541 42 HB VAL 8 HB VAL 8 1.729 -4.641 0.739 43 HG11 VAL 8 HG11 VAL 8 -0.041 -5.607 1.639 44 HG12 VAL 8 HG12 VAL 8 -0.669 -5.956 0.029 45 HG13 VAL 8 HG13 VAL 8 -1.095 -4.448 0.833 46 HG21 VAL 8 HG21 VAL 8 0.660 -4.685 -2.048 47 HG22 VAL 8 HG22 VAL 8 1.051 -6.196 -1.227 48 HG23 VAL 8 HG23 VAL 8 2.303 -4.979 -1.475 49 H ASP 9 H ASP 9 -1.270 -2.774 1.478 50 HA ASP 9 HA ASP 9 0.214 -1.232 3.486 51 HB2 ASP 9 HB2 ASP 9 -2.135 -0.789 4.420 52 HB3 ASP 9 HB3 ASP 9 -1.709 -0.004 2.906 53 H PHE 10 H PHE 10 -1.210 -4.283 2.883 54 HA PHE 10 HA PHE 10 -1.418 -6.175 4.117 55 HB2 PHE 10 HB2 PHE 10 0.585 -4.698 5.824 56 HB3 PHE 10 HB3 PHE 10 0.081 -6.353 6.148 57 HD1 PHE 10 HD1 PHE 10 -0.033 -7.558 3.524 58 HD2 PHE 10 HD2 PHE 10 2.771 -4.773 5.103 59 HE1 PHE 10 HE1 PHE 10 1.668 -8.385 1.950 60 HE2 PHE 10 HE2 PHE 10 4.477 -5.595 3.532 61 HZ PHE 10 HZ PHE 10 3.927 -7.403 1.953 62 H ALA 11 H ALA 11 -3.262 -3.965 4.543 63 HA ALA 11 HA ALA 11 -3.944 -4.253 7.373 64 HB1 ALA 11 HB1 ALA 11 -5.397 -2.375 7.102 65 HB2 ALA 11 HB2 ALA 11 -5.242 -2.441 5.347 66 HB3 ALA 11 HB3 ALA 11 -3.858 -1.980 6.338 67 H GLY 12 H GLY 12 -4.286 -6.376 5.349 68 HA2 GLY 12 HA2 GLY 12 -5.938 -8.100 5.566 69 HA3 GLY 12 HA3 GLY 12 -7.146 -6.857 5.855 70 H CYS 13 H CYS 13 -6.276 -5.178 3.653 71 HA CYS 13 HA CYS 13 -7.694 -6.560 1.538 72 HB2 CYS 13 HB2 CYS 13 -6.501 -3.789 1.421 73 HB3 CYS 13 HB3 CYS 13 -7.805 -4.445 0.436 74 H GLY 14 H GLY 14 -4.516 -5.037 1.991 75 HA2 GLY 14 HA2 GLY 14 -2.498 -5.963 1.201 76 HA3 GLY 14 HA3 GLY 14 -3.411 -6.929 0.058 77 H TYR 15 H TYR 15 -3.691 -3.426 0.541 78 HA TYR 15 HA TYR 15 -2.189 -2.928 -1.890 79 HB2 TYR 15 HB2 TYR 15 -5.145 -2.367 -1.680 80 HB3 TYR 15 HB3 TYR 15 -4.104 -1.606 -2.876 81 HD1 TYR 15 HD1 TYR 15 -2.572 -3.412 -4.189 82 HD2 TYR 15 HD2 TYR 15 -6.343 -4.198 -2.383 83 HE1 TYR 15 HE1 TYR 15 -2.879 -5.340 -5.683 84 HE2 TYR 15 HE2 TYR 15 -6.660 -6.129 -3.871 85 HH TYR 15 HH TYR 15 -5.719 -6.775 -6.275 86 H ALA 16 H ALA 16 -1.043 -1.165 -1.683 87 HA ALA 16 HA ALA 16 -2.020 1.103 -0.104 88 HB1 ALA 16 HB1 ALA 16 -0.606 -0.195 1.400 89 HB2 ALA 16 HB2 ALA 16 0.138 1.351 1.002 90 HB3 ALA 16 HB3 ALA 16 0.709 -0.128 0.230 91 H VAL 17 H VAL 17 -1.278 3.086 -0.749 92 HA VAL 17 HA VAL 17 -0.137 3.178 -3.431 93 HB VAL 17 HB VAL 17 -1.038 5.480 -1.686 94 HG11 VAL 17 HG11 VAL 17 -0.340 5.236 -4.601 95 HG12 VAL 17 HG12 VAL 17 0.356 6.313 -3.390 96 HG13 VAL 17 HG13 VAL 17 -1.290 6.579 -3.965 97 HG21 VAL 17 HG21 VAL 17 -3.128 4.792 -2.012 98 HG22 VAL 17 HG22 VAL 17 -2.598 3.492 -3.077 99 HG23 VAL 17 HG23 VAL 17 -2.899 5.102 -3.731 100 H VAL 18 H VAL 18 0.855 3.294 -0.218 101 HA VAL 18 HA VAL 18 3.302 4.797 -0.892 102 HB VAL 18 HB VAL 18 2.282 4.126 1.861 103 HG11 VAL 18 HG11 VAL 18 4.502 4.565 2.179 104 HG12 VAL 18 HG12 VAL 18 3.844 6.198 2.290 105 HG13 VAL 18 HG13 VAL 18 4.598 5.651 0.793 106 HG21 VAL 18 HG21 VAL 18 0.748 5.620 0.557 107 HG22 VAL 18 HG22 VAL 18 2.070 6.783 0.463 108 HG23 VAL 18 HG23 VAL 18 1.401 6.334 2.032 109 H CYS 19 H CYS 19 5.317 3.976 0.017 110 HA CYS 19 HA CYS 19 5.331 1.131 0.672 111 HB2 CYS 19 HB2 CYS 19 5.890 2.058 -1.907 112 HB3 CYS 19 HB3 CYS 19 7.465 1.734 -1.196 113 H PHE 20 H PHE 20 7.303 4.032 0.191 114 HA PHE 20 HA PHE 20 9.067 3.111 2.358 115 HB2 PHE 20 HB2 PHE 20 10.603 4.957 1.423 116 HB3 PHE 20 HB3 PHE 20 10.424 3.476 0.487 117 HD1 PHE 20 HD1 PHE 20 9.716 3.551 -1.729 118 HD2 PHE 20 HD2 PHE 20 9.183 6.961 0.761 119 HE1 PHE 20 HE1 PHE 20 9.032 4.870 -3.689 120 HE2 PHE 20 HE2 PHE 20 8.497 8.287 -1.195 121 HZ PHE 20 HZ PHE 20 8.420 7.241 -3.424 122 H DTR 21 H DTR 21 6.426 4.921 2.079 123 HA DTR 21 HA DTR 21 5.629 6.897 2.966 124 HB2 DTR 21 HB2 DTR 21 8.057 7.540 4.542 125 HB3 DTR 21 HB3 DTR 21 8.222 7.616 2.790 126 HD1 DTR 21 HD1 DTR 21 5.372 8.830 2.077 127 HE1 DTR 21 HE1 DTR 21 4.853 11.279 2.672 128 HZ2 DTR 21 HZ2 DTR 21 5.799 13.249 4.456 129 HH2 DTR 21 HH2 DTR 21 7.492 13.550 6.210 130 HZ3 DTR 21 HZ3 DTR 21 8.996 11.732 6.839 131 HE3 DTR 21 HE3 DTR 21 8.870 9.536 5.738 Start of MODEL 15 1 H1 CYS 1 H1 CYS 1 -4.363 0.027 2.688 2 HA CYS 1 HA CYS 1 -5.386 -2.248 1.420 3 HB2 CYS 1 HB2 CYS 1 -6.351 -2.949 3.427 4 HB3 CYS 1 HB3 CYS 1 -6.612 -1.305 3.993 5 H LEU 2 H LEU 2 -5.525 -1.095 -0.430 6 HA LEU 2 HA LEU 2 -7.574 0.956 -0.570 7 HB2 LEU 2 HB2 LEU 2 -4.715 1.453 -1.383 8 HB3 LEU 2 HB3 LEU 2 -6.059 2.469 -1.867 9 HG LEU 2 HG LEU 2 -5.355 1.971 1.020 10 HD11 LEU 2 HD11 LEU 2 -4.173 4.062 1.029 11 HD12 LEU 2 HD12 LEU 2 -4.535 4.321 -0.678 12 HD13 LEU 2 HD13 LEU 2 -3.461 3.009 -0.193 13 HD21 LEU 2 HD21 LEU 2 -7.495 2.799 1.024 14 HD22 LEU 2 HD22 LEU 2 -7.256 3.730 -0.455 15 HD23 LEU 2 HD23 LEU 2 -6.564 4.297 1.065 16 H GLY 3 H GLY 3 -7.853 1.679 -2.929 17 HA2 GLY 3 HA2 GLY 3 -7.987 -0.748 -4.530 18 HA3 GLY 3 HA3 GLY 3 -8.753 0.790 -4.900 19 H VAL 4 H VAL 4 -5.439 0.899 -4.014 20 HA VAL 4 HA VAL 4 -4.747 1.714 -6.718 21 HB VAL 4 HB VAL 4 -4.095 2.898 -4.481 22 HG11 VAL 4 HG11 VAL 4 -2.815 0.561 -3.957 23 HG12 VAL 4 HG12 VAL 4 -2.420 2.113 -3.222 24 HG13 VAL 4 HG13 VAL 4 -1.507 1.542 -4.615 25 HG21 VAL 4 HG21 VAL 4 -1.681 2.936 -6.060 26 HG22 VAL 4 HG22 VAL 4 -2.900 4.190 -5.832 27 HG23 VAL 4 HG23 VAL 4 -3.120 2.963 -7.080 28 H GLY 5 H GLY 5 -1.957 1.052 -6.606 29 HA2 GLY 5 HA2 GLY 5 -1.672 -1.775 -6.229 30 HA3 GLY 5 HA3 GLY 5 -1.855 -1.343 -7.922 31 H SER 6 H SER 6 -0.177 0.526 -5.428 32 HA SER 6 HA SER 6 2.281 0.259 -7.019 33 HB2 SER 6 HB2 SER 6 2.955 2.371 -6.232 34 HB3 SER 6 HB3 SER 6 1.221 2.559 -6.495 35 HG SER 6 HG SER 6 1.427 3.313 -4.500 36 H CYS 7 H CYS 7 0.923 -0.078 -3.814 37 HA CYS 7 HA CYS 7 3.139 -1.786 -3.036 38 HB2 CYS 7 HB2 CYS 7 3.139 0.897 -2.251 39 HB3 CYS 7 HB3 CYS 7 2.530 0.027 -0.848 40 H VAL 8 H VAL 8 2.473 -1.989 -0.312 41 HA VAL 8 HA VAL 8 -0.350 -2.811 -0.355 42 HB VAL 8 HB VAL 8 1.750 -4.503 0.947 43 HG11 VAL 8 HG11 VAL 8 0.030 -5.657 1.717 44 HG12 VAL 8 HG12 VAL 8 -0.543 -5.935 0.073 45 HG13 VAL 8 HG13 VAL 8 -1.069 -4.507 0.960 46 HG21 VAL 8 HG21 VAL 8 2.455 -4.786 -1.221 47 HG22 VAL 8 HG22 VAL 8 0.848 -4.499 -1.890 48 HG23 VAL 8 HG23 VAL 8 1.217 -6.037 -1.109 49 H ASP 9 H ASP 9 -1.389 -2.817 1.604 50 HA ASP 9 HA ASP 9 -0.044 -1.299 3.728 51 HB2 ASP 9 HB2 ASP 9 -2.429 -0.880 4.533 52 HB3 ASP 9 HB3 ASP 9 -1.958 -0.096 3.030 53 H PHE 10 H PHE 10 -1.239 -4.372 2.942 54 HA PHE 10 HA PHE 10 -1.549 -6.296 4.105 55 HB2 PHE 10 HB2 PHE 10 0.804 -5.192 4.972 56 HB3 PHE 10 HB3 PHE 10 -0.056 -5.449 6.487 57 HD1 PHE 10 HD1 PHE 10 1.464 -7.060 3.576 58 HD2 PHE 10 HD2 PHE 10 -0.563 -7.674 7.268 59 HE1 PHE 10 HE1 PHE 10 2.098 -9.437 3.525 60 HE2 PHE 10 HE2 PHE 10 0.069 -10.051 7.224 61 HZ PHE 10 HZ PHE 10 1.401 -10.936 5.350 62 H ALA 11 H ALA 11 -3.444 -4.129 4.527 63 HA ALA 11 HA ALA 11 -4.241 -4.524 7.312 64 HB1 ALA 11 HB1 ALA 11 -4.824 -2.471 5.255 65 HB2 ALA 11 HB2 ALA 11 -4.473 -2.286 6.974 66 HB3 ALA 11 HB3 ALA 11 -6.077 -2.803 6.452 67 H GLY 12 H GLY 12 -4.456 -6.574 5.185 68 HA2 GLY 12 HA2 GLY 12 -6.069 -8.345 5.275 69 HA3 GLY 12 HA3 GLY 12 -7.316 -7.145 5.584 70 H CYS 13 H CYS 13 -6.265 -5.382 3.452 71 HA CYS 13 HA CYS 13 -7.637 -6.687 1.241 72 HB2 CYS 13 HB2 CYS 13 -6.542 -3.871 1.365 73 HB3 CYS 13 HB3 CYS 13 -7.711 -4.507 0.213 74 H GLY 14 H GLY 14 -4.488 -5.311 2.032 75 HA2 GLY 14 HA2 GLY 14 -2.425 -6.024 1.235 76 HA3 GLY 14 HA3 GLY 14 -3.249 -7.017 0.047 77 H TYR 15 H TYR 15 -3.668 -3.530 0.569 78 HA TYR 15 HA TYR 15 -2.124 -2.948 -1.818 79 HB2 TYR 15 HB2 TYR 15 -5.106 -2.561 -1.672 80 HB3 TYR 15 HB3 TYR 15 -4.097 -1.637 -2.781 81 HD1 TYR 15 HD1 TYR 15 -3.219 -2.632 -4.769 82 HD2 TYR 15 HD2 TYR 15 -5.306 -5.014 -1.928 83 HE1 TYR 15 HE1 TYR 15 -3.332 -4.468 -6.400 84 HE2 TYR 15 HE2 TYR 15 -5.424 -6.857 -3.550 85 HH TYR 15 HH TYR 15 -3.862 -7.511 -5.710 86 H ALA 16 H ALA 16 -1.014 -1.170 -1.521 87 HA ALA 16 HA ALA 16 -2.123 1.021 0.092 88 HB1 ALA 16 HB1 ALA 16 -0.645 -0.148 1.585 89 HB2 ALA 16 HB2 ALA 16 0.104 1.374 1.109 90 HB3 ALA 16 HB3 ALA 16 0.640 -0.138 0.378 91 H VAL 17 H VAL 17 -1.517 3.072 -0.523 92 HA VAL 17 HA VAL 17 -0.425 3.267 -3.217 93 HB VAL 17 HB VAL 17 -1.442 5.510 -1.462 94 HG11 VAL 17 HG11 VAL 17 -1.873 6.479 -3.820 95 HG12 VAL 17 HG12 VAL 17 -0.708 5.267 -4.353 96 HG13 VAL 17 HG13 VAL 17 -0.231 6.493 -3.178 97 HG21 VAL 17 HG21 VAL 17 -3.074 4.308 -3.650 98 HG22 VAL 17 HG22 VAL 17 -3.591 5.213 -2.228 99 HG23 VAL 17 HG23 VAL 17 -3.056 3.541 -2.062 100 H VAL 18 H VAL 18 0.850 3.031 -0.247 101 HA VAL 18 HA VAL 18 3.194 4.644 -0.986 102 HB VAL 18 HB VAL 18 2.278 6.043 0.634 103 HG11 VAL 18 HG11 VAL 18 1.287 3.540 1.844 104 HG12 VAL 18 HG12 VAL 18 0.490 5.101 1.649 105 HG13 VAL 18 HG13 VAL 18 1.655 4.861 2.952 106 HG21 VAL 18 HG21 VAL 18 4.115 4.228 2.187 107 HG22 VAL 18 HG22 VAL 18 3.714 5.895 2.595 108 HG23 VAL 18 HG23 VAL 18 4.619 5.541 1.123 109 H CYS 19 H CYS 19 5.159 3.970 0.086 110 HA CYS 19 HA CYS 19 5.109 1.117 0.821 111 HB2 CYS 19 HB2 CYS 19 7.183 2.644 -0.756 112 HB3 CYS 19 HB3 CYS 19 7.431 1.014 -0.138 113 H PHE 20 H PHE 20 7.713 3.512 0.931 114 HA PHE 20 HA PHE 20 7.617 3.572 3.834 115 HB2 PHE 20 HB2 PHE 20 9.914 2.377 2.290 116 HB3 PHE 20 HB3 PHE 20 10.085 2.963 3.942 117 HD1 PHE 20 HD1 PHE 20 8.671 1.924 5.744 118 HD2 PHE 20 HD2 PHE 20 9.020 0.260 1.843 119 HE1 PHE 20 HE1 PHE 20 7.857 -0.235 6.597 120 HE2 PHE 20 HE2 PHE 20 8.206 -1.902 2.688 121 HZ PHE 20 HZ PHE 20 7.624 -2.153 5.068 122 H DTR 21 H DTR 21 7.649 5.339 1.256 123 HA DTR 21 HA DTR 21 8.647 7.267 0.485 124 HB2 DTR 21 HB2 DTR 21 10.613 8.253 1.534 125 HB3 DTR 21 HB3 DTR 21 10.490 7.136 2.885 126 HD1 DTR 21 HD1 DTR 21 11.580 4.768 2.592 127 HE1 DTR 21 HE1 DTR 21 12.961 3.662 0.725 128 HZ2 DTR 21 HZ2 DTR 21 13.644 4.177 -1.964 129 HH2 DTR 21 HH2 DTR 21 13.263 5.850 -3.721 130 HZ3 DTR 21 HZ3 DTR 21 11.883 7.823 -3.310 131 HE3 DTR 21 HE3 DTR 21 10.828 8.204 -1.120
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