NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
641067 | 6imh | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 1 H1 ACE 101 -10.314 -6.424 0.379 2 H2 ACE 1 H2 ACE 101 -10.320 -4.782 -0.266 3 H3 ACE 1 H3 ACE 101 -10.262 -5.044 1.477 4 H GLY 2 H1 GLY 1 -8.359 -7.125 1.534 5 HA2 GLY 2 HA2 GLY 1 -6.085 -7.449 1.653 6 HA3 GLY 2 HA3 GLY 1 -6.001 -6.646 0.087 7 H CYS 3 H CYS 2 -4.411 -5.181 0.255 8 HA CYS 3 HA CYS 2 -3.690 -3.888 2.633 9 HB2 CYS 3 HB2 CYS 2 -2.512 -4.177 0.206 10 HB3 CYS 3 HB3 CYS 2 -3.011 -2.486 0.134 11 HA PRO 4 HA PRO 3 -6.867 -0.744 2.714 12 HB2 PRO 4 HB2 PRO 3 -5.663 0.965 4.495 13 HB3 PRO 4 HB3 PRO 3 -6.487 -0.532 4.967 14 HG2 PRO 4 HG2 PRO 3 -3.579 0.008 4.645 15 HG3 PRO 4 HG3 PRO 3 -4.423 -0.977 5.855 16 HD2 PRO 4 HD2 PRO 3 -3.130 -2.042 3.711 17 HD3 PRO 4 HD3 PRO 3 -4.533 -2.816 4.476 18 H CYS 5 H CYS 4 -3.645 -0.229 1.636 19 HA CYS 5 HA CYS 4 -4.079 2.554 0.893 20 HB2 CYS 5 HB2 CYS 4 -1.756 0.679 0.391 21 HB3 CYS 5 HB3 CYS 4 -1.779 2.393 -0.027 22 H GLU 6 H GLU 5 -4.843 3.212 -1.009 23 HA GLU 6 HA GLU 5 -4.686 1.386 -3.288 24 HB2 GLU 6 HB2 GLU 5 -6.881 1.080 -2.339 25 HB3 GLU 6 HB3 GLU 5 -7.198 2.810 -2.470 26 HG2 GLU 6 HG2 GLU 5 -6.940 2.694 -4.910 27 HG3 GLU 6 HG3 GLU 5 -6.527 0.983 -4.806 28 HA PRO 7 HA PRO 6 -3.860 1.428 -5.182 29 HB2 PRO 7 HB2 PRO 6 -1.369 2.108 -6.057 30 HB3 PRO 7 HB3 PRO 6 -2.841 2.304 -7.025 31 HG2 PRO 7 HG2 PRO 6 -1.377 4.338 -5.415 32 HG3 PRO 7 HG3 PRO 6 -2.084 4.483 -7.027 33 HD2 PRO 7 HD2 PRO 6 -3.320 5.469 -4.838 34 HD3 PRO 7 HD3 PRO 6 -4.240 4.770 -6.190 35 H SER 8 H SER 7 -2.399 -0.146 -4.363 36 HA SER 8 HA SER 7 -1.621 0.239 -1.656 37 HB2 SER 8 HB2 SER 7 -0.827 -2.038 -1.754 38 HB3 SER 8 HB3 SER 7 -2.330 -1.943 -2.669 39 HG SER 8 HG SER 7 0.334 -2.052 -3.611 40 H TYR 9 H TYR 8 -0.009 0.668 -4.685 41 HA TYR 9 HA TYR 8 2.662 0.330 -3.940 42 HB2 TYR 9 HB2 TYR 8 3.082 1.064 -6.029 43 HB3 TYR 9 HB3 TYR 8 1.329 1.128 -6.223 44 HD1 TYR 9 HD1 TYR 8 4.382 3.078 -5.665 45 HD2 TYR 9 HD2 TYR 8 0.118 3.250 -5.974 46 HE1 TYR 9 HE1 TYR 8 4.501 5.542 -5.902 47 HE2 TYR 9 HE2 TYR 8 0.217 5.708 -6.211 48 HH TYR 9 HH TYR 8 3.230 7.372 -6.699 49 H LEU 10 H LEU 9 0.388 2.721 -2.985 50 HA LEU 10 HA LEU 9 2.165 4.860 -2.447 51 HB2 LEU 10 HB2 LEU 9 -0.569 4.142 -1.389 52 HB3 LEU 10 HB3 LEU 9 0.284 5.613 -0.924 53 HG LEU 10 HG LEU 9 -0.228 4.856 -3.805 54 HD11 LEU 10 HD11 LEU 9 -2.017 6.680 -3.624 55 HD12 LEU 10 HD12 LEU 9 -1.880 6.503 -1.875 56 HD13 LEU 10 HD13 LEU 9 -2.408 5.140 -2.862 57 HD21 LEU 10 HD21 LEU 9 0.106 7.395 -4.018 58 HD22 LEU 10 HD22 LEU 9 1.542 6.451 -3.625 59 HD23 LEU 10 HD23 LEU 9 0.703 7.347 -2.359 60 H CYS 11 H CYS 10 1.396 1.918 -0.778 61 HA CYS 11 HA CYS 10 3.021 2.840 1.518 62 HB2 CYS 11 HB2 CYS 10 0.825 0.754 1.569 63 HB3 CYS 11 HB3 CYS 10 1.721 1.384 2.951 64 HA PRO 12 HA PRO 11 5.137 -0.709 -0.651 65 HB2 PRO 12 HB2 PRO 11 7.642 0.437 -0.430 66 HB3 PRO 12 HB3 PRO 11 6.576 0.620 -1.836 67 HG2 PRO 12 HG2 PRO 11 7.097 2.497 0.407 68 HG3 PRO 12 HG3 PRO 11 6.786 2.830 -1.306 69 HD2 PRO 12 HD2 PRO 11 4.892 3.159 0.636 70 HD3 PRO 12 HD3 PRO 11 4.494 2.755 -1.046 71 H TRP 13 H TRP 12 5.629 1.059 2.312 72 HA TRP 13 HA TRP 12 7.481 -0.739 3.526 73 HB2 TRP 13 HB2 TRP 12 6.829 0.420 5.625 74 HB3 TRP 13 HB3 TRP 12 7.265 1.541 4.333 75 HD1 TRP 13 HD1 TRP 12 4.202 0.105 6.137 76 HE1 TRP 13 HE1 TRP 12 2.220 1.718 5.797 77 HE3 TRP 13 HE3 TRP 12 6.318 3.432 2.892 78 HZ2 TRP 13 HZ2 TRP 12 1.617 4.113 4.354 79 HZ3 TRP 13 HZ3 TRP 12 5.022 5.372 2.058 80 HH2 TRP 13 HH2 TRP 12 2.675 5.716 2.783 81 H LEU 14 H LEU 13 4.162 -0.984 2.810 82 HA LEU 14 HA LEU 13 3.628 -2.789 5.008 83 HB2 LEU 14 HB2 LEU 13 1.991 -1.276 3.089 84 HB3 LEU 14 HB3 LEU 13 1.363 -2.863 3.544 85 HG LEU 14 HG LEU 13 2.317 -0.834 5.578 86 HD11 LEU 14 HD11 LEU 13 0.381 0.001 4.193 87 HD12 LEU 14 HD12 LEU 13 0.013 -0.191 5.908 88 HD13 LEU 14 HD13 LEU 13 -0.539 -1.398 4.746 89 HD21 LEU 14 HD21 LEU 13 2.262 -3.013 6.543 90 HD22 LEU 14 HD22 LEU 13 0.793 -3.450 5.673 91 HD23 LEU 14 HD23 LEU 13 0.718 -2.297 7.005 92 HA PRO 15 HA PRO 14 5.059 -6.163 2.334 93 HB2 PRO 15 HB2 PRO 14 3.661 -7.743 4.447 94 HB3 PRO 15 HB3 PRO 14 5.307 -7.919 3.808 95 HG2 PRO 15 HG2 PRO 14 4.859 -6.853 6.202 96 HG3 PRO 15 HG3 PRO 14 6.152 -6.252 5.148 97 HD2 PRO 15 HD2 PRO 14 3.505 -5.029 5.773 98 HD3 PRO 15 HD3 PRO 14 5.065 -4.254 5.423 99 H GLY 16 H GLY 15 1.811 -6.021 3.759 100 HA2 GLY 16 HA2 GLY 15 0.553 -7.870 2.042 101 HA3 GLY 16 HA3 GLY 15 -0.266 -6.596 2.942 102 H CYS 17 H CYS 16 1.103 -4.390 1.771 103 HA CYS 17 HA CYS 16 -0.522 -3.889 -0.461 104 HB2 CYS 17 HB2 CYS 16 1.839 -2.542 0.778 105 HB3 CYS 17 HB3 CYS 16 1.340 -2.041 -0.834 106 HN1 NH2 18 HN1 NH2 102 -0.296 -4.566 -2.574 107 HN2 NH2 18 HN2 NH2 102 1.155 -5.112 -3.279 Start of MODEL 2 1 H1 ACE 1 H1 ACE 101 -8.730 -9.258 3.066 2 H2 ACE 1 H2 ACE 101 -8.768 -7.793 4.048 3 H3 ACE 1 H3 ACE 101 -7.711 -9.132 4.499 4 H GLY 2 H1 GLY 1 -8.351 -7.003 1.698 5 HA2 GLY 2 HA2 GLY 1 -5.661 -7.276 0.698 6 HA3 GLY 2 HA3 GLY 1 -6.911 -6.209 0.065 7 H CYS 3 H CYS 2 -4.488 -5.114 0.115 8 HA CYS 3 HA CYS 2 -3.727 -3.916 2.561 9 HB2 CYS 3 HB2 CYS 2 -2.585 -4.129 0.084 10 HB3 CYS 3 HB3 CYS 2 -3.041 -2.423 0.122 11 HA PRO 4 HA PRO 3 -6.877 -0.737 2.731 12 HB2 PRO 4 HB2 PRO 3 -5.667 0.997 4.471 13 HB3 PRO 4 HB3 PRO 3 -6.439 -0.518 4.980 14 HG2 PRO 4 HG2 PRO 3 -3.553 0.078 4.519 15 HG3 PRO 4 HG3 PRO 3 -4.320 -0.863 5.814 16 HD2 PRO 4 HD2 PRO 3 -3.120 -2.052 3.689 17 HD3 PRO 4 HD3 PRO 3 -4.534 -2.762 4.500 18 H CYS 5 H CYS 4 -3.612 -0.136 1.733 19 HA CYS 5 HA CYS 4 -4.108 2.609 0.917 20 HB2 CYS 5 HB2 CYS 4 -1.758 0.760 0.435 21 HB3 CYS 5 HB3 CYS 4 -1.811 2.464 -0.021 22 H GLU 6 H GLU 5 -4.924 3.213 -0.985 23 HA GLU 6 HA GLU 5 -4.708 1.365 -3.266 24 HB2 GLU 6 HB2 GLU 5 -6.942 1.084 -2.313 25 HB3 GLU 6 HB3 GLU 5 -7.229 2.820 -2.447 26 HG2 GLU 6 HG2 GLU 5 -6.950 2.706 -4.879 27 HG3 GLU 6 HG3 GLU 5 -6.585 0.984 -4.773 28 HA PRO 7 HA PRO 6 -3.838 1.415 -5.182 29 HB2 PRO 7 HB2 PRO 6 -1.370 2.167 -6.106 30 HB3 PRO 7 HB3 PRO 6 -2.865 2.385 -7.037 31 HG2 PRO 7 HG2 PRO 6 -1.395 4.367 -5.360 32 HG3 PRO 7 HG3 PRO 6 -2.090 4.562 -6.974 33 HD2 PRO 7 HD2 PRO 6 -3.376 5.474 -4.792 34 HD3 PRO 7 HD3 PRO 6 -4.267 4.772 -6.165 35 H SER 8 H SER 7 -2.426 -0.129 -4.328 36 HA SER 8 HA SER 7 -1.569 0.263 -1.658 37 HB2 SER 8 HB2 SER 7 -0.750 -2.007 -1.790 38 HB3 SER 8 HB3 SER 7 -2.279 -1.918 -2.661 39 HG SER 8 HG SER 7 -0.339 -2.977 -3.686 40 H TYR 9 H TYR 8 0.003 0.759 -4.705 41 HA TYR 9 HA TYR 8 2.684 0.401 -3.963 42 HB2 TYR 9 HB2 TYR 8 3.125 1.146 -6.044 43 HB3 TYR 9 HB3 TYR 8 1.374 1.180 -6.257 44 HD1 TYR 9 HD1 TYR 8 4.391 3.176 -5.752 45 HD2 TYR 9 HD2 TYR 8 0.112 3.290 -5.952 46 HE1 TYR 9 HE1 TYR 8 4.469 5.641 -6.001 47 HE2 TYR 9 HE2 TYR 8 0.178 5.747 -6.203 48 HH TYR 9 HH TYR 8 2.040 7.448 -7.130 49 H LEU 10 H LEU 9 0.412 2.790 -2.995 50 HA LEU 10 HA LEU 9 2.200 4.929 -2.434 51 HB2 LEU 10 HB2 LEU 9 -0.550 4.228 -1.392 52 HB3 LEU 10 HB3 LEU 9 0.315 5.696 -0.933 53 HG LEU 10 HG LEU 9 -0.187 4.929 -3.813 54 HD11 LEU 10 HD11 LEU 9 -1.836 6.636 -1.927 55 HD12 LEU 10 HD12 LEU 9 -2.367 5.209 -2.817 56 HD13 LEU 10 HD13 LEU 9 -1.997 6.700 -3.683 57 HD21 LEU 10 HD21 LEU 9 0.152 7.451 -4.052 58 HD22 LEU 10 HD22 LEU 9 1.585 6.530 -3.603 59 HD23 LEU 10 HD23 LEU 9 0.704 7.442 -2.378 60 H CYS 11 H CYS 10 1.418 1.966 -0.812 61 HA CYS 11 HA CYS 10 3.022 2.854 1.514 62 HB2 CYS 11 HB2 CYS 10 0.769 0.826 1.525 63 HB3 CYS 11 HB3 CYS 10 1.677 1.404 2.925 64 HA PRO 12 HA PRO 11 5.033 -0.745 -0.679 65 HB2 PRO 12 HB2 PRO 11 7.557 0.345 -0.590 66 HB3 PRO 12 HB3 PRO 11 6.417 0.600 -1.925 67 HG2 PRO 12 HG2 PRO 11 7.075 2.383 0.365 68 HG3 PRO 12 HG3 PRO 11 6.771 2.788 -1.333 69 HD2 PRO 12 HD2 PRO 11 4.891 3.134 0.608 70 HD3 PRO 12 HD3 PRO 11 4.467 2.746 -1.071 71 H TRP 13 H TRP 12 5.591 1.050 2.247 72 HA TRP 13 HA TRP 12 7.461 -0.737 3.444 73 HB2 TRP 13 HB2 TRP 12 6.797 0.410 5.560 74 HB3 TRP 13 HB3 TRP 12 7.273 1.525 4.280 75 HD1 TRP 13 HD1 TRP 12 4.153 0.137 6.029 76 HE1 TRP 13 HE1 TRP 12 2.209 1.793 5.672 77 HE3 TRP 13 HE3 TRP 12 6.389 3.448 2.849 78 HZ2 TRP 13 HZ2 TRP 12 1.677 4.208 4.235 79 HZ3 TRP 13 HZ3 TRP 12 5.145 5.418 2.006 80 HH2 TRP 13 HH2 TRP 12 2.793 5.803 2.695 81 H LEU 14 H LEU 13 4.106 -0.980 2.800 82 HA LEU 14 HA LEU 13 3.619 -2.779 5.027 83 HB2 LEU 14 HB2 LEU 13 1.960 -1.337 3.051 84 HB3 LEU 14 HB3 LEU 13 1.350 -2.912 3.569 85 HG LEU 14 HG LEU 13 2.282 -0.793 5.521 86 HD11 LEU 14 HD11 LEU 13 -0.030 -0.157 5.821 87 HD12 LEU 14 HD12 LEU 13 -0.569 -1.413 4.707 88 HD13 LEU 14 HD13 LEU 13 0.340 -0.028 4.102 89 HD21 LEU 14 HD21 LEU 13 2.244 -2.945 6.556 90 HD22 LEU 14 HD22 LEU 13 0.762 -3.405 5.718 91 HD23 LEU 14 HD23 LEU 13 0.710 -2.205 7.009 92 HA PRO 15 HA PRO 14 5.106 -6.205 2.434 93 HB2 PRO 15 HB2 PRO 14 3.672 -7.743 4.564 94 HB3 PRO 15 HB3 PRO 14 5.307 -7.977 3.913 95 HG2 PRO 15 HG2 PRO 14 4.963 -6.875 6.283 96 HG3 PRO 15 HG3 PRO 14 6.195 -6.249 5.168 97 HD2 PRO 15 HD2 PRO 14 3.514 -5.097 5.853 98 HD3 PRO 15 HD3 PRO 14 5.051 -4.264 5.521 99 H GLY 16 H GLY 15 1.849 -6.082 3.824 100 HA2 GLY 16 HA2 GLY 15 0.611 -7.950 2.116 101 HA3 GLY 16 HA3 GLY 15 -0.216 -6.668 2.997 102 H CYS 17 H CYS 16 1.121 -4.460 1.815 103 HA CYS 17 HA CYS 16 -0.490 -3.994 -0.434 104 HB2 CYS 17 HB2 CYS 16 1.861 -2.628 0.801 105 HB3 CYS 17 HB3 CYS 16 1.376 -2.148 -0.824 106 HN1 NH2 18 HN1 NH2 102 -0.267 -4.745 -2.517 107 HN2 NH2 18 HN2 NH2 102 1.189 -5.277 -3.218 Start of MODEL 3 1 H1 ACE 1 H1 ACE 101 -9.822 -8.007 2.421 2 H2 ACE 1 H2 ACE 101 -10.789 -6.623 1.910 3 H3 ACE 1 H3 ACE 101 -9.831 -6.533 3.389 4 H GLY 2 H1 GLY 1 -7.465 -7.736 2.432 5 HA2 GLY 2 HA2 GLY 1 -5.606 -7.388 1.087 6 HA3 GLY 2 HA3 GLY 1 -6.577 -6.343 0.055 7 H CYS 3 H CYS 2 -4.376 -5.195 0.224 8 HA CYS 3 HA CYS 2 -3.666 -3.895 2.623 9 HB2 CYS 3 HB2 CYS 2 -2.474 -4.161 0.185 10 HB3 CYS 3 HB3 CYS 2 -3.001 -2.475 0.130 11 HA PRO 4 HA PRO 3 -6.877 -0.751 2.673 12 HB2 PRO 4 HB2 PRO 3 -5.740 0.997 4.447 13 HB3 PRO 4 HB3 PRO 3 -6.503 -0.530 4.934 14 HG2 PRO 4 HG2 PRO 3 -3.616 0.107 4.556 15 HG3 PRO 4 HG3 PRO 3 -4.408 -0.846 5.827 16 HD2 PRO 4 HD2 PRO 3 -3.125 -2.008 3.728 17 HD3 PRO 4 HD3 PRO 3 -4.538 -2.751 4.513 18 H CYS 5 H CYS 4 -3.615 -0.158 1.712 19 HA CYS 5 HA CYS 4 -4.081 2.588 0.901 20 HB2 CYS 5 HB2 CYS 4 -1.748 0.705 0.420 21 HB3 CYS 5 HB3 CYS 4 -1.773 2.412 -0.032 22 H GLU 6 H GLU 5 -4.916 3.204 -0.963 23 HA GLU 6 HA GLU 5 -4.722 1.374 -3.250 24 HB2 GLU 6 HB2 GLU 5 -7.212 2.808 -2.362 25 HB3 GLU 6 HB3 GLU 5 -7.035 1.912 -3.869 26 HG2 GLU 6 HG2 GLU 5 -6.494 -0.121 -2.636 27 HG3 GLU 6 HG3 GLU 5 -6.611 0.749 -1.108 28 HA PRO 7 HA PRO 6 -3.848 1.395 -5.156 29 HB2 PRO 7 HB2 PRO 6 -1.355 2.132 -6.061 30 HB3 PRO 7 HB3 PRO 6 -2.831 2.276 -7.024 31 HG2 PRO 7 HG2 PRO 6 -1.377 4.368 -5.486 32 HG3 PRO 7 HG3 PRO 6 -2.154 4.469 -7.074 33 HD2 PRO 7 HD2 PRO 6 -3.326 5.443 -4.828 34 HD3 PRO 7 HD3 PRO 6 -4.269 4.756 -6.169 35 H SER 8 H SER 7 -2.408 -0.153 -4.339 36 HA SER 8 HA SER 7 -1.590 0.228 -1.646 37 HB2 SER 8 HB2 SER 7 -0.796 -2.035 -1.763 38 HB3 SER 8 HB3 SER 7 -2.307 -1.940 -2.669 39 HG SER 8 HG SER 7 -0.810 -3.020 -3.917 40 H TYR 9 H TYR 8 0.000 0.702 -4.686 41 HA TYR 9 HA TYR 8 2.676 0.351 -3.919 42 HB2 TYR 9 HB2 TYR 8 3.128 1.080 -6.008 43 HB3 TYR 9 HB3 TYR 8 1.378 1.121 -6.231 44 HD1 TYR 9 HD1 TYR 8 4.404 3.114 -5.673 45 HD2 TYR 9 HD2 TYR 8 0.130 3.230 -5.999 46 HE1 TYR 9 HE1 TYR 8 4.489 5.579 -5.943 47 HE2 TYR 9 HE2 TYR 8 0.207 5.684 -6.269 48 HH TYR 9 HH TYR 8 2.692 7.541 -5.432 49 H LEU 10 H LEU 9 0.382 2.740 -2.995 50 HA LEU 10 HA LEU 9 2.164 4.885 -2.439 51 HB2 LEU 10 HB2 LEU 9 -0.585 4.192 -1.400 52 HB3 LEU 10 HB3 LEU 9 0.278 5.658 -0.937 53 HG LEU 10 HG LEU 9 -0.251 4.888 -3.815 54 HD11 LEU 10 HD11 LEU 9 -2.403 5.228 -2.778 55 HD12 LEU 10 HD12 LEU 9 -2.017 6.695 -3.679 56 HD13 LEU 10 HD13 LEU 9 -1.823 6.659 -1.927 57 HD21 LEU 10 HD21 LEU 9 0.135 7.427 -4.048 58 HD22 LEU 10 HD22 LEU 9 1.553 6.448 -3.687 59 HD23 LEU 10 HD23 LEU 9 0.768 7.366 -2.403 60 H CYS 11 H CYS 10 1.437 1.921 -0.814 61 HA CYS 11 HA CYS 10 3.028 2.845 1.505 62 HB2 CYS 11 HB2 CYS 10 0.808 0.787 1.531 63 HB3 CYS 11 HB3 CYS 10 1.714 1.382 2.925 64 HA PRO 12 HA PRO 11 5.107 -0.738 -0.666 65 HB2 PRO 12 HB2 PRO 11 7.618 0.373 -0.536 66 HB3 PRO 12 HB3 PRO 11 6.492 0.639 -1.884 67 HG2 PRO 12 HG2 PRO 11 7.087 2.384 0.459 68 HG3 PRO 12 HG3 PRO 11 6.843 2.822 -1.244 69 HD2 PRO 12 HD2 PRO 11 4.894 3.143 0.613 70 HD3 PRO 12 HD3 PRO 11 4.526 2.735 -1.071 71 H TRP 13 H TRP 12 5.589 1.037 2.282 72 HA TRP 13 HA TRP 12 7.466 -0.751 3.487 73 HB2 TRP 13 HB2 TRP 12 6.802 0.398 5.597 74 HB3 TRP 13 HB3 TRP 12 7.269 1.520 4.318 75 HD1 TRP 13 HD1 TRP 12 4.177 0.135 6.108 76 HE1 TRP 13 HE1 TRP 12 2.217 1.769 5.749 77 HE3 TRP 13 HE3 TRP 12 6.352 3.417 2.860 78 HZ2 TRP 13 HZ2 TRP 12 1.653 4.165 4.293 79 HZ3 TRP 13 HZ3 TRP 12 5.088 5.373 2.014 80 HH2 TRP 13 HH2 TRP 12 2.742 5.751 2.725 81 H LEU 14 H LEU 13 4.126 -0.976 2.794 82 HA LEU 14 HA LEU 13 3.614 -2.780 5.018 83 HB2 LEU 14 HB2 LEU 13 1.966 -1.307 3.065 84 HB3 LEU 14 HB3 LEU 13 1.345 -2.886 3.556 85 HG LEU 14 HG LEU 13 2.290 -0.806 5.537 86 HD11 LEU 14 HD11 LEU 13 -0.109 -0.311 5.897 87 HD12 LEU 14 HD12 LEU 13 -0.519 -1.370 4.547 88 HD13 LEU 14 HD13 LEU 13 0.404 0.106 4.261 89 HD21 LEU 14 HD21 LEU 13 0.755 -3.412 5.709 90 HD22 LEU 14 HD22 LEU 13 0.714 -2.227 7.012 91 HD23 LEU 14 HD23 LEU 13 2.240 -2.972 6.548 92 HA PRO 15 HA PRO 14 5.063 -6.205 2.400 93 HB2 PRO 15 HB2 PRO 14 3.600 -7.756 4.496 94 HB3 PRO 15 HB3 PRO 14 5.249 -7.976 3.873 95 HG2 PRO 15 HG2 PRO 14 4.819 -6.896 6.255 96 HG3 PRO 15 HG3 PRO 14 6.119 -6.307 5.203 97 HD2 PRO 15 HD2 PRO 14 3.468 -5.059 5.816 98 HD3 PRO 15 HD3 PRO 14 5.037 -4.280 5.492 99 H GLY 16 H GLY 15 1.800 -6.042 3.772 100 HA2 GLY 16 HA2 GLY 15 0.542 -7.875 2.041 101 HA3 GLY 16 HA3 GLY 15 -0.268 -6.592 2.935 102 H CYS 17 H CYS 16 1.098 -4.395 1.795 103 HA CYS 17 HA CYS 16 -0.491 -3.876 -0.458 104 HB2 CYS 17 HB2 CYS 16 1.850 -2.543 0.827 105 HB3 CYS 17 HB3 CYS 16 1.393 -2.037 -0.796 106 HN1 NH2 18 HN1 NH2 102 -0.258 -4.591 -2.548 107 HN2 NH2 18 HN2 NH2 102 1.204 -5.115 -3.250 Start of MODEL 4 1 H1 ACE 1 H1 ACE 101 -7.704 -8.222 4.822 2 H2 ACE 1 H2 ACE 101 -7.834 -9.509 3.623 3 H3 ACE 1 H3 ACE 101 -9.188 -8.409 3.891 4 H GLY 2 H1 GLY 1 -5.797 -8.496 2.821 5 HA2 GLY 2 HA2 GLY 1 -4.877 -7.491 0.927 6 HA3 GLY 2 HA3 GLY 1 -6.405 -6.663 0.649 7 H CYS 3 H CYS 2 -4.245 -5.166 0.260 8 HA CYS 3 HA CYS 2 -3.409 -3.867 2.681 9 HB2 CYS 3 HB2 CYS 2 -2.231 -4.149 0.250 10 HB3 CYS 3 HB3 CYS 2 -2.875 -2.512 0.116 11 HA PRO 4 HA PRO 3 -6.810 -0.934 2.619 12 HB2 PRO 4 HB2 PRO 3 -5.865 0.850 4.445 13 HB3 PRO 4 HB3 PRO 3 -6.466 -0.759 4.900 14 HG2 PRO 4 HG2 PRO 3 -3.655 0.171 4.524 15 HG3 PRO 4 HG3 PRO 3 -4.344 -0.848 5.801 16 HD2 PRO 4 HD2 PRO 3 -2.973 -1.869 3.690 17 HD3 PRO 4 HD3 PRO 3 -4.284 -2.754 4.500 18 H CYS 5 H CYS 4 -3.584 -0.204 1.663 19 HA CYS 5 HA CYS 4 -4.111 2.549 0.920 20 HB2 CYS 5 HB2 CYS 4 -1.751 0.720 0.419 21 HB3 CYS 5 HB3 CYS 4 -1.806 2.420 -0.050 22 H GLU 6 H GLU 5 -4.881 3.238 -0.979 23 HA GLU 6 HA GLU 5 -4.696 1.431 -3.285 24 HB2 GLU 6 HB2 GLU 5 -6.916 1.123 -2.379 25 HB3 GLU 6 HB3 GLU 5 -7.217 2.860 -2.450 26 HG2 GLU 6 HG2 GLU 5 -6.935 2.835 -4.889 27 HG3 GLU 6 HG3 GLU 5 -6.528 1.120 -4.844 28 HA PRO 7 HA PRO 6 -3.849 1.511 -5.203 29 HB2 PRO 7 HB2 PRO 6 -1.319 2.257 -6.010 30 HB3 PRO 7 HB3 PRO 6 -2.767 2.370 -7.025 31 HG2 PRO 7 HG2 PRO 6 -1.375 4.496 -5.489 32 HG3 PRO 7 HG3 PRO 6 -2.172 4.576 -7.066 33 HD2 PRO 7 HD2 PRO 6 -3.303 5.541 -4.799 34 HD3 PRO 7 HD3 PRO 6 -4.262 4.883 -6.145 35 H SER 8 H SER 7 -2.400 -0.074 -4.417 36 HA SER 8 HA SER 7 -1.630 0.242 -1.697 37 HB2 SER 8 HB2 SER 7 -0.806 -2.031 -1.872 38 HB3 SER 8 HB3 SER 7 -2.341 -1.915 -2.728 39 HG SER 8 HG SER 7 -0.400 -2.961 -3.779 40 H TYR 9 H TYR 8 -0.020 0.762 -4.712 41 HA TYR 9 HA TYR 8 2.652 0.408 -3.955 42 HB2 TYR 9 HB2 TYR 8 3.073 1.143 -6.042 43 HB3 TYR 9 HB3 TYR 8 1.321 1.239 -6.239 44 HD1 TYR 9 HD1 TYR 8 4.404 3.131 -5.684 45 HD2 TYR 9 HD2 TYR 8 0.140 3.374 -5.947 46 HE1 TYR 9 HE1 TYR 8 4.556 5.597 -5.893 47 HE2 TYR 9 HE2 TYR 8 0.271 5.825 -6.161 48 HH TYR 9 HH TYR 8 3.242 7.546 -5.606 49 H LEU 10 H LEU 9 0.360 2.782 -2.976 50 HA LEU 10 HA LEU 9 2.131 4.923 -2.414 51 HB2 LEU 10 HB2 LEU 9 -0.587 4.177 -1.327 52 HB3 LEU 10 HB3 LEU 9 0.262 5.656 -0.876 53 HG LEU 10 HG LEU 9 -0.328 4.888 -3.744 54 HD11 LEU 10 HD11 LEU 9 -2.091 6.717 -3.532 55 HD12 LEU 10 HD12 LEU 9 -1.886 6.591 -1.785 56 HD13 LEU 10 HD13 LEU 9 -2.468 5.205 -2.707 57 HD21 LEU 10 HD21 LEU 9 1.469 6.465 -3.629 58 HD22 LEU 10 HD22 LEU 9 0.671 7.384 -2.351 59 HD23 LEU 10 HD23 LEU 9 0.030 7.417 -3.993 60 H CYS 11 H CYS 10 1.344 1.960 -0.780 61 HA CYS 11 HA CYS 10 3.046 2.818 1.482 62 HB2 CYS 11 HB2 CYS 10 0.792 0.808 1.609 63 HB3 CYS 11 HB3 CYS 10 1.710 1.469 2.960 64 HA PRO 12 HA PRO 11 4.913 -0.859 -0.692 65 HB2 PRO 12 HB2 PRO 11 7.473 0.130 -0.647 66 HB3 PRO 12 HB3 PRO 11 6.325 0.407 -1.971 67 HG2 PRO 12 HG2 PRO 11 7.110 2.204 0.261 68 HG3 PRO 12 HG3 PRO 11 6.747 2.587 -1.429 69 HD2 PRO 12 HD2 PRO 11 4.985 3.012 0.616 70 HD3 PRO 12 HD3 PRO 11 4.479 2.689 -1.055 71 H TRP 13 H TRP 12 5.731 0.969 2.185 72 HA TRP 13 HA TRP 12 7.506 -0.897 3.359 73 HB2 TRP 13 HB2 TRP 12 6.964 0.258 5.478 74 HB3 TRP 13 HB3 TRP 12 7.339 1.397 4.187 75 HD1 TRP 13 HD1 TRP 12 4.388 -0.029 6.163 76 HE1 TRP 13 HE1 TRP 12 2.395 1.590 5.949 77 HE3 TRP 13 HE3 TRP 12 6.308 3.292 2.794 78 HZ2 TRP 13 HZ2 TRP 12 1.711 3.991 4.547 79 HZ3 TRP 13 HZ3 TRP 12 4.969 5.238 2.043 80 HH2 TRP 13 HH2 TRP 12 2.674 5.591 2.914 81 H LEU 14 H LEU 13 4.070 -0.837 2.919 82 HA LEU 14 HA LEU 13 3.502 -2.654 5.055 83 HB2 LEU 14 HB2 LEU 13 1.966 -1.222 2.989 84 HB3 LEU 14 HB3 LEU 13 1.293 -2.774 3.497 85 HG LEU 14 HG LEU 13 2.212 -0.673 5.474 86 HD11 LEU 14 HD11 LEU 13 -0.577 -1.171 4.393 87 HD12 LEU 14 HD12 LEU 13 0.406 0.261 4.082 88 HD13 LEU 14 HD13 LEU 13 -0.172 -0.076 5.714 89 HD21 LEU 14 HD21 LEU 13 0.544 -2.007 6.912 90 HD22 LEU 14 HD22 LEU 13 2.045 -2.833 6.501 91 HD23 LEU 14 HD23 LEU 13 0.564 -3.212 5.624 92 HA PRO 15 HA PRO 14 4.963 -6.221 2.649 93 HB2 PRO 15 HB2 PRO 14 3.349 -7.669 4.696 94 HB3 PRO 15 HB3 PRO 14 5.034 -7.921 4.201 95 HG2 PRO 15 HG2 PRO 14 4.429 -6.749 6.507 96 HG3 PRO 15 HG3 PRO 14 5.824 -6.231 5.543 97 HD2 PRO 15 HD2 PRO 14 3.179 -4.914 5.906 98 HD3 PRO 15 HD3 PRO 14 4.785 -4.190 5.668 99 H GLY 16 H GLY 15 1.627 -5.932 3.817 100 HA2 GLY 16 HA2 GLY 15 0.444 -7.792 2.052 101 HA3 GLY 16 HA3 GLY 15 -0.397 -6.472 2.860 102 H CYS 17 H CYS 16 1.117 -4.337 1.772 103 HA CYS 17 HA CYS 16 -0.305 -3.830 -0.600 104 HB2 CYS 17 HB2 CYS 16 1.957 -2.520 0.842 105 HB3 CYS 17 HB3 CYS 16 1.638 -2.033 -0.821 106 HN1 NH2 18 HN1 NH2 102 0.118 -4.438 -2.702 107 HN2 NH2 18 HN2 NH2 102 1.598 -5.062 -3.263 Start of MODEL 5 1 H1 ACE 1 H1 ACE 101 -8.607 -9.248 3.436 2 H2 ACE 1 H2 ACE 101 -9.691 -9.555 2.079 3 H3 ACE 1 H3 ACE 101 -9.710 -7.987 2.885 4 H GLY 2 H1 GLY 1 -7.509 -6.844 2.882 5 HA2 GLY 2 HA2 GLY 1 -5.511 -7.406 0.999 6 HA3 GLY 2 HA3 GLY 1 -6.706 -6.377 0.218 7 H CYS 3 H CYS 2 -4.479 -5.144 0.228 8 HA CYS 3 HA CYS 2 -3.724 -3.894 2.648 9 HB2 CYS 3 HB2 CYS 2 -2.558 -4.148 0.189 10 HB3 CYS 3 HB3 CYS 2 -3.040 -2.450 0.185 11 HA PRO 4 HA PRO 3 -6.916 -0.752 2.688 12 HB2 PRO 4 HB2 PRO 3 -5.761 0.983 4.462 13 HB3 PRO 4 HB3 PRO 3 -6.516 -0.547 4.947 14 HG2 PRO 4 HG2 PRO 3 -3.634 0.097 4.550 15 HG3 PRO 4 HG3 PRO 3 -4.413 -0.873 5.814 16 HD2 PRO 4 HD2 PRO 3 -3.148 -1.971 3.682 17 HD3 PRO 4 HD3 PRO 3 -4.526 -2.753 4.488 18 H CYS 5 H CYS 4 -3.644 -0.155 1.731 19 HA CYS 5 HA CYS 4 -4.091 2.591 0.920 20 HB2 CYS 5 HB2 CYS 4 -1.783 0.693 0.428 21 HB3 CYS 5 HB3 CYS 4 -1.795 2.399 -0.023 22 H GLU 6 H GLU 5 -4.811 3.269 -1.003 23 HA GLU 6 HA GLU 5 -4.698 1.401 -3.253 24 HB2 GLU 6 HB2 GLU 5 -6.905 1.155 -2.314 25 HB3 GLU 6 HB3 GLU 5 -7.186 2.891 -2.437 26 HG2 GLU 6 HG2 GLU 5 -8.193 1.764 -4.364 27 HG3 GLU 6 HG3 GLU 5 -6.825 2.723 -4.917 28 HA PRO 7 HA PRO 6 -3.851 1.417 -5.151 29 HB2 PRO 7 HB2 PRO 6 -1.358 2.057 -6.057 30 HB3 PRO 7 HB3 PRO 6 -2.838 2.265 -7.016 31 HG2 PRO 7 HG2 PRO 6 -1.333 4.290 -5.429 32 HG3 PRO 7 HG3 PRO 6 -2.043 4.434 -7.040 33 HD2 PRO 7 HD2 PRO 6 -3.260 5.457 -4.856 34 HD3 PRO 7 HD3 PRO 6 -4.196 4.760 -6.198 35 H SER 8 H SER 7 -2.406 -0.160 -4.319 36 HA SER 8 HA SER 7 -1.602 0.251 -1.623 37 HB2 SER 8 HB2 SER 7 -0.860 -2.033 -1.682 38 HB3 SER 8 HB3 SER 7 -2.343 -1.935 -2.629 39 HG SER 8 HG SER 7 -1.160 -2.022 -4.478 40 H TYR 9 H TYR 8 -0.008 0.641 -4.668 41 HA TYR 9 HA TYR 8 2.667 0.280 -3.921 42 HB2 TYR 9 HB2 TYR 8 3.092 0.958 -6.028 43 HB3 TYR 9 HB3 TYR 8 1.341 1.033 -6.222 44 HD1 TYR 9 HD1 TYR 8 4.411 2.968 -5.740 45 HD2 TYR 9 HD2 TYR 8 0.145 3.169 -6.000 46 HE1 TYR 9 HE1 TYR 8 4.548 5.425 -6.037 47 HE2 TYR 9 HE2 TYR 8 0.262 5.619 -6.296 48 HH TYR 9 HH TYR 8 2.237 7.259 -7.253 49 H LEU 10 H LEU 9 0.412 2.700 -2.989 50 HA LEU 10 HA LEU 9 2.227 4.824 -2.493 51 HB2 LEU 10 HB2 LEU 9 -0.534 4.181 -1.464 52 HB3 LEU 10 HB3 LEU 9 0.346 5.630 -0.982 53 HG LEU 10 HG LEU 9 -0.153 4.883 -3.870 54 HD11 LEU 10 HD11 LEU 9 -1.734 6.686 -2.013 55 HD12 LEU 10 HD12 LEU 9 -2.322 5.242 -2.840 56 HD13 LEU 10 HD13 LEU 9 -1.912 6.686 -3.766 57 HD21 LEU 10 HD21 LEU 9 0.874 7.337 -2.424 58 HD22 LEU 10 HD22 LEU 9 0.259 7.424 -4.076 59 HD23 LEU 10 HD23 LEU 9 1.661 6.420 -3.707 60 H CYS 11 H CYS 10 1.409 1.917 -0.804 61 HA CYS 11 HA CYS 10 3.008 2.847 1.505 62 HB2 CYS 11 HB2 CYS 10 0.792 0.780 1.505 63 HB3 CYS 11 HB3 CYS 10 1.686 1.356 2.910 64 HA PRO 12 HA PRO 11 5.141 -0.724 -0.626 65 HB2 PRO 12 HB2 PRO 11 7.641 0.436 -0.432 66 HB3 PRO 12 HB3 PRO 11 6.568 0.591 -1.836 67 HG2 PRO 12 HG2 PRO 11 7.083 2.504 0.376 68 HG3 PRO 12 HG3 PRO 11 6.771 2.808 -1.339 69 HD2 PRO 12 HD2 PRO 11 4.886 3.162 0.602 70 HD3 PRO 12 HD3 PRO 11 4.482 2.733 -1.075 71 H TRP 13 H TRP 12 5.576 1.069 2.326 72 HA TRP 13 HA TRP 12 7.449 -0.702 3.559 73 HB2 TRP 13 HB2 TRP 12 6.736 0.451 5.657 74 HB3 TRP 13 HB3 TRP 12 7.243 1.557 4.382 75 HD1 TRP 13 HD1 TRP 12 4.097 0.210 6.096 76 HE1 TRP 13 HE1 TRP 12 2.160 1.856 5.673 77 HE3 TRP 13 HE3 TRP 12 6.384 3.449 2.887 78 HZ2 TRP 13 HZ2 TRP 12 1.654 4.248 4.187 79 HZ3 TRP 13 HZ3 TRP 12 5.158 5.408 1.992 80 HH2 TRP 13 HH2 TRP 12 2.796 5.810 2.636 81 H LEU 14 H LEU 13 4.145 -0.994 2.794 82 HA LEU 14 HA LEU 13 3.617 -2.800 4.998 83 HB2 LEU 14 HB2 LEU 13 1.954 -1.339 3.035 84 HB3 LEU 14 HB3 LEU 13 1.347 -2.905 3.579 85 HG LEU 14 HG LEU 13 2.323 -0.782 5.499 86 HD11 LEU 14 HD11 LEU 13 -0.022 -0.193 5.858 87 HD12 LEU 14 HD12 LEU 13 -0.521 -1.359 4.633 88 HD13 LEU 14 HD13 LEU 13 0.408 0.066 4.167 89 HD21 LEU 14 HD21 LEU 13 0.756 -3.363 5.748 90 HD22 LEU 14 HD22 LEU 13 0.770 -2.153 7.030 91 HD23 LEU 14 HD23 LEU 13 2.271 -2.937 6.543 92 HA PRO 15 HA PRO 14 5.099 -6.129 2.268 93 HB2 PRO 15 HB2 PRO 14 3.758 -7.752 4.390 94 HB3 PRO 15 HB3 PRO 14 5.394 -7.902 3.720 95 HG2 PRO 15 HG2 PRO 14 4.994 -6.861 6.124 96 HG3 PRO 15 HG3 PRO 14 6.233 -6.207 5.039 97 HD2 PRO 15 HD2 PRO 14 3.557 -5.096 5.738 98 HD3 PRO 15 HD3 PRO 14 5.085 -4.258 5.393 99 H GLY 16 H GLY 15 1.871 -6.038 3.733 100 HA2 GLY 16 HA2 GLY 15 0.608 -7.894 2.021 101 HA3 GLY 16 HA3 GLY 15 -0.210 -6.634 2.942 102 H CYS 17 H CYS 16 1.107 -4.404 1.785 103 HA CYS 17 HA CYS 16 -0.544 -3.890 -0.424 104 HB2 CYS 17 HB2 CYS 16 1.818 -2.536 0.809 105 HB3 CYS 17 HB3 CYS 16 1.296 -2.016 -0.789 106 HN1 NH2 18 HN1 NH2 102 -0.330 -4.529 -2.549 107 HN2 NH2 18 HN2 NH2 102 1.117 -5.053 -3.275 Start of MODEL 6 1 H1 ACE 1 H1 ACE 101 -7.631 -9.896 3.552 2 H2 ACE 1 H2 ACE 101 -7.966 -8.645 4.749 3 H3 ACE 1 H3 ACE 101 -6.320 -9.234 4.527 4 H GLY 2 H1 GLY 1 -5.213 -8.711 2.545 5 HA2 GLY 2 HA2 GLY 1 -4.798 -7.463 0.608 6 HA3 GLY 2 HA3 GLY 1 -6.389 -6.723 0.771 7 H CYS 3 H CYS 2 -4.453 -4.994 0.134 8 HA CYS 3 HA CYS 2 -3.373 -3.854 2.598 9 HB2 CYS 3 HB2 CYS 2 -2.280 -4.083 0.117 10 HB3 CYS 3 HB3 CYS 2 -2.908 -2.433 0.061 11 HA PRO 4 HA PRO 3 -6.759 -0.929 2.695 12 HB2 PRO 4 HB2 PRO 3 -5.782 0.850 4.499 13 HB3 PRO 4 HB3 PRO 3 -6.369 -0.759 4.963 14 HG2 PRO 4 HG2 PRO 3 -3.568 0.185 4.552 15 HG3 PRO 4 HG3 PRO 3 -4.235 -0.857 5.825 16 HD2 PRO 4 HD2 PRO 3 -2.887 -1.855 3.669 17 HD3 PRO 4 HD3 PRO 3 -4.178 -2.750 4.501 18 H CYS 5 H CYS 4 -3.576 -0.184 1.651 19 HA CYS 5 HA CYS 4 -4.142 2.580 0.944 20 HB2 CYS 5 HB2 CYS 4 -1.769 0.790 0.364 21 HB3 CYS 5 HB3 CYS 4 -1.859 2.507 -0.034 22 H GLU 6 H GLU 5 -4.956 3.243 -0.955 23 HA GLU 6 HA GLU 5 -4.780 1.433 -3.270 24 HB2 GLU 6 HB2 GLU 5 -7.015 1.198 -2.272 25 HB3 GLU 6 HB3 GLU 5 -7.258 2.938 -2.446 26 HG2 GLU 6 HG2 GLU 5 -7.054 2.789 -4.858 27 HG3 GLU 6 HG3 GLU 5 -6.623 1.084 -4.755 28 HA PRO 7 HA PRO 6 -3.911 1.488 -5.195 29 HB2 PRO 7 HB2 PRO 6 -1.448 2.227 -6.139 30 HB3 PRO 7 HB3 PRO 6 -2.947 2.454 -7.055 31 HG2 PRO 7 HG2 PRO 6 -1.446 4.423 -5.395 32 HG3 PRO 7 HG3 PRO 6 -2.174 4.631 -6.994 33 HD2 PRO 7 HD2 PRO 6 -3.397 5.530 -4.761 34 HD3 PRO 7 HD3 PRO 6 -4.327 4.870 -6.126 35 H SER 8 H SER 7 -2.486 -0.082 -4.413 36 HA SER 8 HA SER 7 -1.609 0.217 -1.745 37 HB2 SER 8 HB2 SER 7 -0.747 -2.041 -1.990 38 HB3 SER 8 HB3 SER 7 -2.315 -1.928 -2.785 39 HG SER 8 HG SER 7 -0.840 -2.947 -4.146 40 H TYR 9 H TYR 8 -0.033 0.819 -4.780 41 HA TYR 9 HA TYR 8 2.647 0.442 -4.027 42 HB2 TYR 9 HB2 TYR 8 3.124 1.255 -6.075 43 HB3 TYR 9 HB3 TYR 8 1.376 1.257 -6.320 44 HD1 TYR 9 HD1 TYR 8 4.344 3.305 -5.699 45 HD2 TYR 9 HD2 TYR 8 0.070 3.343 -6.028 46 HE1 TYR 9 HE1 TYR 8 4.381 5.774 -5.911 47 HE2 TYR 9 HE2 TYR 8 0.098 5.806 -6.240 48 HH TYR 9 HH TYR 8 2.165 7.547 -7.138 49 H LEU 10 H LEU 9 0.375 2.812 -3.016 50 HA LEU 10 HA LEU 9 2.166 4.934 -2.410 51 HB2 LEU 10 HB2 LEU 9 -0.581 4.226 -1.369 52 HB3 LEU 10 HB3 LEU 9 0.287 5.689 -0.904 53 HG LEU 10 HG LEU 9 -0.247 4.945 -3.785 54 HD11 LEU 10 HD11 LEU 9 -1.847 6.674 -1.878 55 HD12 LEU 10 HD12 LEU 9 -2.408 5.251 -2.756 56 HD13 LEU 10 HD13 LEU 9 -2.029 6.734 -3.631 57 HD21 LEU 10 HD21 LEU 9 1.549 6.513 -3.608 58 HD22 LEU 10 HD22 LEU 9 0.727 7.422 -2.340 59 HD23 LEU 10 HD23 LEU 9 0.126 7.477 -3.996 60 H CYS 11 H CYS 10 1.447 1.929 -0.843 61 HA CYS 11 HA CYS 10 3.032 2.816 1.496 62 HB2 CYS 11 HB2 CYS 10 0.781 0.792 1.524 63 HB3 CYS 11 HB3 CYS 10 1.684 1.388 2.917 64 HA PRO 12 HA PRO 11 5.034 -0.789 -0.707 65 HB2 PRO 12 HB2 PRO 11 7.572 0.265 -0.540 66 HB3 PRO 12 HB3 PRO 11 6.468 0.540 -1.901 67 HG2 PRO 12 HG2 PRO 11 7.072 2.299 0.428 68 HG3 PRO 12 HG3 PRO 11 6.841 2.723 -1.281 69 HD2 PRO 12 HD2 PRO 11 4.887 3.094 0.562 70 HD3 PRO 12 HD3 PRO 11 4.523 2.670 -1.121 71 H TRP 13 H TRP 12 5.703 1.001 2.231 72 HA TRP 13 HA TRP 12 7.483 -0.866 3.415 73 HB2 TRP 13 HB2 TRP 12 6.905 0.290 5.538 74 HB3 TRP 13 HB3 TRP 12 7.348 1.413 4.250 75 HD1 TRP 13 HD1 TRP 12 4.298 0.061 6.133 76 HE1 TRP 13 HE1 TRP 12 2.347 1.720 5.840 77 HE3 TRP 13 HE3 TRP 12 6.400 3.316 2.804 78 HZ2 TRP 13 HZ2 TRP 12 1.758 4.114 4.391 79 HZ3 TRP 13 HZ3 TRP 12 5.122 5.277 1.988 80 HH2 TRP 13 HH2 TRP 12 2.805 5.679 2.774 81 H LEU 14 H LEU 13 4.071 -0.912 2.899 82 HA LEU 14 HA LEU 13 3.539 -2.703 5.102 83 HB2 LEU 14 HB2 LEU 13 1.947 -1.267 3.071 84 HB3 LEU 14 HB3 LEU 13 1.286 -2.817 3.605 85 HG LEU 14 HG LEU 13 2.238 -0.697 5.548 86 HD11 LEU 14 HD11 LEU 13 -0.186 -0.163 5.840 87 HD12 LEU 14 HD12 LEU 13 -0.550 -1.199 4.459 88 HD13 LEU 14 HD13 LEU 13 0.410 0.262 4.235 89 HD21 LEU 14 HD21 LEU 13 0.592 -3.233 5.737 90 HD22 LEU 14 HD22 LEU 13 0.623 -2.031 7.027 91 HD23 LEU 14 HD23 LEU 13 2.103 -2.866 6.566 92 HA PRO 15 HA PRO 14 4.971 -6.282 2.711 93 HB2 PRO 15 HB2 PRO 14 3.288 -7.652 4.778 94 HB3 PRO 15 HB3 PRO 14 4.936 -8.035 4.232 95 HG2 PRO 15 HG2 PRO 14 4.569 -6.838 6.539 96 HG3 PRO 15 HG3 PRO 14 5.879 -6.313 5.464 97 HD2 PRO 15 HD2 PRO 14 3.234 -4.998 5.988 98 HD3 PRO 15 HD3 PRO 14 4.832 -4.260 5.722 99 H GLY 16 H GLY 15 1.623 -5.975 3.846 100 HA2 GLY 16 HA2 GLY 15 0.438 -7.828 2.091 101 HA3 GLY 16 HA3 GLY 15 -0.395 -6.489 2.873 102 H CYS 17 H CYS 16 1.117 -4.372 1.734 103 HA CYS 17 HA CYS 16 -0.323 -3.901 -0.622 104 HB2 CYS 17 HB2 CYS 16 1.999 -2.612 0.732 105 HB3 CYS 17 HB3 CYS 16 1.665 -2.164 -0.938 106 HN1 NH2 18 HN1 NH2 102 -0.016 -4.716 -2.670 107 HN2 NH2 18 HN2 NH2 102 1.452 -5.333 -3.271 Start of MODEL 7 1 H1 ACE 1 H1 ACE 101 -10.678 -6.980 2.077 2 H2 ACE 1 H2 ACE 101 -9.797 -6.504 3.529 3 H3 ACE 1 H3 ACE 101 -9.522 -8.092 2.811 4 H GLY 2 H1 GLY 1 -7.327 -7.829 2.421 5 HA2 GLY 2 HA2 GLY 1 -5.577 -7.384 0.951 6 HA3 GLY 2 HA3 GLY 1 -6.633 -6.285 0.066 7 H CYS 3 H CYS 2 -4.408 -5.116 0.186 8 HA CYS 3 HA CYS 2 -3.633 -3.907 2.637 9 HB2 CYS 3 HB2 CYS 2 -2.434 -4.171 0.231 10 HB3 CYS 3 HB3 CYS 2 -2.986 -2.498 0.114 11 HA PRO 4 HA PRO 3 -6.846 -0.781 2.739 12 HB2 PRO 4 HB2 PRO 3 -5.704 0.984 4.494 13 HB3 PRO 4 HB3 PRO 3 -6.464 -0.538 4.993 14 HG2 PRO 4 HG2 PRO 3 -3.580 0.096 4.597 15 HG3 PRO 4 HG3 PRO 3 -4.364 -0.845 5.880 16 HD2 PRO 4 HD2 PRO 3 -3.092 -2.036 3.791 17 HD3 PRO 4 HD3 PRO 3 -4.516 -2.764 4.571 18 H CYS 5 H CYS 4 -3.591 -0.153 1.753 19 HA CYS 5 HA CYS 4 -4.096 2.589 0.935 20 HB2 CYS 5 HB2 CYS 4 -1.735 0.756 0.440 21 HB3 CYS 5 HB3 CYS 4 -1.797 2.465 0.002 22 H GLU 6 H GLU 5 -4.916 3.191 -0.971 23 HA GLU 6 HA GLU 5 -4.720 1.334 -3.248 24 HB2 GLU 6 HB2 GLU 5 -6.955 1.092 -2.274 25 HB3 GLU 6 HB3 GLU 5 -7.208 2.830 -2.432 26 HG2 GLU 6 HG2 GLU 5 -6.991 2.689 -4.850 27 HG3 GLU 6 HG3 GLU 5 -6.605 0.973 -4.749 28 HA PRO 7 HA PRO 6 -3.842 1.367 -5.175 29 HB2 PRO 7 HB2 PRO 6 -1.376 2.116 -6.104 30 HB3 PRO 7 HB3 PRO 6 -2.866 2.298 -7.047 31 HG2 PRO 7 HG2 PRO 6 -1.403 4.331 -5.434 32 HG3 PRO 7 HG3 PRO 6 -2.139 4.487 -7.037 33 HD2 PRO 7 HD2 PRO 6 -3.375 5.421 -4.824 34 HD3 PRO 7 HD3 PRO 6 -4.291 4.715 -6.175 35 H SER 8 H SER 7 -2.447 -0.180 -4.326 36 HA SER 8 HA SER 7 -1.567 0.200 -1.669 37 HB2 SER 8 HB2 SER 7 -0.803 -2.066 -1.791 38 HB3 SER 8 HB3 SER 7 -2.293 -1.965 -2.726 39 HG SER 8 HG SER 7 -1.042 -2.862 -4.183 40 H TYR 9 H TYR 8 0.001 0.737 -4.709 41 HA TYR 9 HA TYR 8 2.684 0.361 -3.945 42 HB2 TYR 9 HB2 TYR 8 3.167 1.122 -6.015 43 HB3 TYR 9 HB3 TYR 8 1.419 1.140 -6.263 44 HD1 TYR 9 HD1 TYR 8 4.415 3.152 -5.687 45 HD2 TYR 9 HD2 TYR 8 0.135 3.247 -5.986 46 HE1 TYR 9 HE1 TYR 8 4.486 5.620 -5.938 47 HE2 TYR 9 HE2 TYR 8 0.198 5.706 -6.237 48 HH TYR 9 HH TYR 8 1.953 7.425 -7.063 49 H LEU 10 H LEU 9 0.406 2.768 -3.034 50 HA LEU 10 HA LEU 9 2.183 4.906 -2.450 51 HB2 LEU 10 HB2 LEU 9 -0.563 4.193 -1.404 52 HB3 LEU 10 HB3 LEU 9 0.291 5.670 -0.960 53 HG LEU 10 HG LEU 9 -0.235 4.878 -3.830 54 HD11 LEU 10 HD11 LEU 9 -2.405 5.190 -2.856 55 HD12 LEU 10 HD12 LEU 9 -2.016 6.700 -3.679 56 HD13 LEU 10 HD13 LEU 9 -1.857 6.584 -1.926 57 HD21 LEU 10 HD21 LEU 9 0.117 7.406 -4.085 58 HD22 LEU 10 HD22 LEU 9 1.548 6.462 -3.680 59 HD23 LEU 10 HD23 LEU 9 0.718 7.384 -2.426 60 H CYS 11 H CYS 10 1.475 1.926 -0.841 61 HA CYS 11 HA CYS 10 3.036 2.857 1.498 62 HB2 CYS 11 HB2 CYS 10 0.798 0.810 1.503 63 HB3 CYS 11 HB3 CYS 10 1.711 1.372 2.904 64 HA PRO 12 HA PRO 11 5.112 -0.727 -0.663 65 HB2 PRO 12 HB2 PRO 11 7.633 0.365 -0.486 66 HB3 PRO 12 HB3 PRO 11 6.534 0.631 -1.855 67 HG2 PRO 12 HG2 PRO 11 7.104 2.388 0.484 68 HG3 PRO 12 HG3 PRO 11 6.880 2.814 -1.225 69 HD2 PRO 12 HD2 PRO 11 4.909 3.153 0.614 70 HD3 PRO 12 HD3 PRO 11 4.559 2.740 -1.076 71 H TRP 13 H TRP 12 5.609 1.058 2.287 72 HA TRP 13 HA TRP 12 7.438 -0.739 3.525 73 HB2 TRP 13 HB2 TRP 12 6.742 0.411 5.626 74 HB3 TRP 13 HB3 TRP 12 7.245 1.524 4.354 75 HD1 TRP 13 HD1 TRP 12 4.102 0.180 6.088 76 HE1 TRP 13 HE1 TRP 12 2.173 1.846 5.698 77 HE3 TRP 13 HE3 TRP 12 6.379 3.429 2.872 78 HZ2 TRP 13 HZ2 TRP 12 1.667 4.245 4.225 79 HZ3 TRP 13 HZ3 TRP 12 5.154 5.400 2.000 80 HH2 TRP 13 HH2 TRP 12 2.803 5.812 2.670 81 H LEU 14 H LEU 13 4.094 -0.964 2.837 82 HA LEU 14 HA LEU 13 3.558 -2.790 5.040 83 HB2 LEU 14 HB2 LEU 13 1.938 -1.325 3.048 84 HB3 LEU 14 HB3 LEU 13 1.301 -2.889 3.568 85 HG LEU 14 HG LEU 13 2.228 -0.758 5.511 86 HD11 LEU 14 HD11 LEU 13 0.368 0.184 4.277 87 HD12 LEU 14 HD12 LEU 13 -0.234 -0.350 5.847 88 HD13 LEU 14 HD13 LEU 13 -0.540 -1.323 4.408 89 HD21 LEU 14 HD21 LEU 13 0.688 -3.357 5.718 90 HD22 LEU 14 HD22 LEU 13 0.646 -2.146 7.000 91 HD23 LEU 14 HD23 LEU 13 2.173 -2.906 6.555 92 HA PRO 15 HA PRO 14 5.039 -6.206 2.409 93 HB2 PRO 15 HB2 PRO 14 3.528 -7.732 4.502 94 HB3 PRO 15 HB3 PRO 14 5.159 -8.018 3.854 95 HG2 PRO 15 HG2 PRO 14 4.873 -6.940 6.230 96 HG3 PRO 15 HG3 PRO 14 6.095 -6.306 5.111 97 HD2 PRO 15 HD2 PRO 14 3.414 -5.147 5.824 98 HD3 PRO 15 HD3 PRO 14 4.961 -4.314 5.538 99 H GLY 16 H GLY 15 1.763 -6.055 3.748 100 HA2 GLY 16 HA2 GLY 15 0.525 -7.861 1.982 101 HA3 GLY 16 HA3 GLY 15 -0.295 -6.588 2.880 102 H CYS 17 H CYS 16 1.084 -4.373 1.760 103 HA CYS 17 HA CYS 16 -0.491 -3.844 -0.500 104 HB2 CYS 17 HB2 CYS 16 1.845 -2.528 0.807 105 HB3 CYS 17 HB3 CYS 16 1.417 -2.020 -0.825 106 HN1 NH2 18 HN1 NH2 102 -0.255 -4.557 -2.596 107 HN2 NH2 18 HN2 NH2 102 1.207 -5.081 -3.296 Start of MODEL 8 1 H1 ACE 1 H1 ACE 101 -7.493 -9.151 3.598 2 H2 ACE 1 H2 ACE 101 -6.025 -9.116 4.576 3 H3 ACE 1 H3 ACE 101 -6.188 -10.290 3.270 4 H GLY 2 H1 GLY 1 -7.604 -7.778 1.917 5 HA2 GLY 2 HA2 GLY 1 -5.424 -7.103 0.228 6 HA3 GLY 2 HA3 GLY 1 -6.987 -6.288 0.273 7 H CYS 3 H CYS 2 -4.310 -5.093 0.027 8 HA CYS 3 HA CYS 2 -3.573 -3.941 2.517 9 HB2 CYS 3 HB2 CYS 2 -2.356 -4.124 0.108 10 HB3 CYS 3 HB3 CYS 2 -2.914 -2.449 0.057 11 HA PRO 4 HA PRO 3 -6.820 -0.850 2.723 12 HB2 PRO 4 HB2 PRO 3 -5.631 0.896 4.480 13 HB3 PRO 4 HB3 PRO 3 -6.416 -0.615 4.971 14 HG2 PRO 4 HG2 PRO 3 -3.522 -0.030 4.560 15 HG3 PRO 4 HG3 PRO 3 -4.313 -0.976 5.837 16 HD2 PRO 4 HD2 PRO 3 -3.078 -2.172 3.740 17 HD3 PRO 4 HD3 PRO 3 -4.533 -2.866 4.495 18 H CYS 5 H CYS 4 -3.565 -0.162 1.740 19 HA CYS 5 HA CYS 4 -4.115 2.582 0.964 20 HB2 CYS 5 HB2 CYS 4 -1.741 0.770 0.467 21 HB3 CYS 5 HB3 CYS 4 -1.818 2.469 -0.006 22 H GLU 6 H GLU 5 -4.918 3.220 -0.951 23 HA GLU 6 HA GLU 5 -4.715 1.382 -3.243 24 HB2 GLU 6 HB2 GLU 5 -6.956 1.128 -2.269 25 HB3 GLU 6 HB3 GLU 5 -7.219 2.865 -2.444 26 HG2 GLU 6 HG2 GLU 5 -6.935 2.704 -4.862 27 HG3 GLU 6 HG3 GLU 5 -6.577 0.983 -4.729 28 HA PRO 7 HA PRO 6 -3.838 1.436 -5.185 29 HB2 PRO 7 HB2 PRO 6 -1.354 2.207 -6.067 30 HB3 PRO 7 HB3 PRO 6 -2.831 2.398 -7.024 31 HG2 PRO 7 HG2 PRO 6 -1.401 4.416 -5.366 32 HG3 PRO 7 HG3 PRO 6 -2.117 4.582 -6.975 33 HD2 PRO 7 HD2 PRO 6 -3.386 5.488 -4.776 34 HD3 PRO 7 HD3 PRO 6 -4.277 4.784 -6.146 35 H SER 8 H SER 7 -2.422 -0.119 -4.346 36 HA SER 8 HA SER 7 -1.572 0.252 -1.669 37 HB2 SER 8 HB2 SER 7 -0.829 -2.021 -1.779 38 HB3 SER 8 HB3 SER 7 -2.283 -1.923 -2.766 39 HG SER 8 HG SER 7 -0.675 -3.010 -3.896 40 H TYR 9 H TYR 8 -0.019 0.775 -4.719 41 HA TYR 9 HA TYR 8 2.667 0.424 -3.993 42 HB2 TYR 9 HB2 TYR 8 3.086 1.177 -6.075 43 HB3 TYR 9 HB3 TYR 8 1.333 1.246 -6.271 44 HD1 TYR 9 HD1 TYR 8 4.391 3.188 -5.702 45 HD2 TYR 9 HD2 TYR 8 0.116 3.364 -5.977 46 HE1 TYR 9 HE1 TYR 8 4.506 5.656 -5.910 47 HE2 TYR 9 HE2 TYR 8 0.219 5.824 -6.186 48 HH TYR 9 HH TYR 8 2.843 7.619 -5.378 49 H LEU 10 H LEU 9 0.373 2.808 -3.030 50 HA LEU 10 HA LEU 9 2.138 4.947 -2.426 51 HB2 LEU 10 HB2 LEU 9 -0.593 4.201 -1.368 52 HB3 LEU 10 HB3 LEU 9 0.266 5.663 -0.883 53 HG LEU 10 HG LEU 9 -0.249 4.966 -3.774 54 HD11 LEU 10 HD11 LEU 9 -1.911 6.600 -1.838 55 HD12 LEU 10 HD12 LEU 9 -2.427 5.193 -2.769 56 HD13 LEU 10 HD13 LEU 9 -2.076 6.712 -3.591 57 HD21 LEU 10 HD21 LEU 9 0.050 7.515 -3.921 58 HD22 LEU 10 HD22 LEU 9 1.497 6.576 -3.561 59 HD23 LEU 10 HD23 LEU 9 0.656 7.429 -2.267 60 H CYS 11 H CYS 10 1.357 1.969 -0.808 61 HA CYS 11 HA CYS 10 3.022 2.826 1.483 62 HB2 CYS 11 HB2 CYS 10 0.747 0.834 1.552 63 HB3 CYS 11 HB3 CYS 10 1.684 1.413 2.928 64 HA PRO 12 HA PRO 11 4.934 -0.806 -0.716 65 HB2 PRO 12 HB2 PRO 11 7.487 0.218 -0.644 66 HB3 PRO 12 HB3 PRO 11 6.342 0.499 -1.969 67 HG2 PRO 12 HG2 PRO 11 7.083 2.273 0.301 68 HG3 PRO 12 HG3 PRO 11 6.739 2.679 -1.392 69 HD2 PRO 12 HD2 PRO 11 4.920 3.059 0.617 70 HD3 PRO 12 HD3 PRO 11 4.451 2.719 -1.059 71 H TRP 13 H TRP 12 5.714 1.003 2.183 72 HA TRP 13 HA TRP 12 7.501 -0.858 3.350 73 HB2 TRP 13 HB2 TRP 12 6.949 0.277 5.476 74 HB3 TRP 13 HB3 TRP 12 7.318 1.429 4.192 75 HD1 TRP 13 HD1 TRP 12 4.359 -0.055 6.130 76 HE1 TRP 13 HE1 TRP 12 2.352 1.549 5.918 77 HE3 TRP 13 HE3 TRP 12 6.277 3.323 2.814 78 HZ2 TRP 13 HZ2 TRP 12 1.655 3.954 4.531 79 HZ3 TRP 13 HZ3 TRP 12 4.923 5.262 2.071 80 HH2 TRP 13 HH2 TRP 12 2.615 5.580 2.923 81 H LEU 14 H LEU 13 4.069 -0.873 2.903 82 HA LEU 14 HA LEU 13 3.552 -2.703 5.064 83 HB2 LEU 14 HB2 LEU 13 1.969 -1.260 3.045 84 HB3 LEU 14 HB3 LEU 13 1.321 -2.836 3.520 85 HG LEU 14 HG LEU 13 2.215 -0.764 5.538 86 HD11 LEU 14 HD11 LEU 13 -0.075 -0.057 5.751 87 HD12 LEU 14 HD12 LEU 13 -0.627 -1.314 4.644 88 HD13 LEU 14 HD13 LEU 13 0.328 0.038 4.036 89 HD21 LEU 14 HD21 LEU 13 0.597 -2.159 6.953 90 HD22 LEU 14 HD22 LEU 13 2.093 -2.965 6.486 91 HD23 LEU 14 HD23 LEU 13 0.596 -3.322 5.628 92 HA PRO 15 HA PRO 14 5.016 -6.254 2.650 93 HB2 PRO 15 HB2 PRO 14 3.392 -7.694 4.708 94 HB3 PRO 15 HB3 PRO 14 5.058 -7.996 4.172 95 HG2 PRO 15 HG2 PRO 14 4.587 -6.841 6.497 96 HG3 PRO 15 HG3 PRO 14 5.923 -6.291 5.467 97 HD2 PRO 15 HD2 PRO 14 3.254 -5.000 5.940 98 HD3 PRO 15 HD3 PRO 14 4.848 -4.246 5.693 99 H GLY 16 H GLY 15 1.693 -5.995 3.849 100 HA2 GLY 16 HA2 GLY 15 0.483 -7.834 2.087 101 HA3 GLY 16 HA3 GLY 15 -0.343 -6.521 2.923 102 H CYS 17 H CYS 16 1.141 -4.371 1.810 103 HA CYS 17 HA CYS 16 -0.344 -3.863 -0.525 104 HB2 CYS 17 HB2 CYS 16 1.944 -2.542 0.867 105 HB3 CYS 17 HB3 CYS 16 1.561 -2.039 -0.778 106 HN1 NH2 18 HN1 NH2 102 0.009 -4.561 -2.609 107 HN2 NH2 18 HN2 NH2 102 1.499 -5.114 -3.221 Start of MODEL 9 1 H1 ACE 1 H1 ACE 101 -10.055 -7.922 1.843 2 H2 ACE 1 H2 ACE 101 -8.948 -8.728 2.954 3 H3 ACE 1 H3 ACE 101 -9.589 -9.600 1.562 4 H GLY 2 H1 GLY 1 -7.720 -6.664 2.353 5 HA2 GLY 2 HA2 GLY 1 -5.513 -7.321 0.728 6 HA3 GLY 2 HA3 GLY 1 -6.582 -6.260 -0.182 7 H CYS 3 H CYS 2 -4.294 -5.130 0.115 8 HA CYS 3 HA CYS 2 -3.700 -3.904 2.563 9 HB2 CYS 3 HB2 CYS 2 -2.482 -4.034 0.101 10 HB3 CYS 3 HB3 CYS 2 -2.962 -2.340 0.202 11 HA PRO 4 HA PRO 3 -6.917 -0.796 2.628 12 HB2 PRO 4 HB2 PRO 3 -5.776 0.955 4.404 13 HB3 PRO 4 HB3 PRO 3 -6.549 -0.567 4.887 14 HG2 PRO 4 HG2 PRO 3 -3.661 0.071 4.559 15 HG3 PRO 4 HG3 PRO 3 -4.471 -0.928 5.778 16 HD2 PRO 4 HD2 PRO 3 -3.142 -1.968 3.647 17 HD3 PRO 4 HD3 PRO 3 -4.515 -2.783 4.424 18 H CYS 5 H CYS 4 -3.629 -0.139 1.753 19 HA CYS 5 HA CYS 4 -4.085 2.586 0.896 20 HB2 CYS 5 HB2 CYS 4 -1.774 0.674 0.464 21 HB3 CYS 5 HB3 CYS 4 -1.772 2.365 -0.037 22 H GLU 6 H GLU 5 -4.895 3.217 -0.976 23 HA GLU 6 HA GLU 5 -4.707 1.392 -3.256 24 HB2 GLU 6 HB2 GLU 5 -7.228 2.782 -2.382 25 HB3 GLU 6 HB3 GLU 5 -7.001 1.923 -3.906 26 HG2 GLU 6 HG2 GLU 5 -6.463 -0.144 -2.722 27 HG3 GLU 6 HG3 GLU 5 -6.609 0.687 -1.174 28 HA PRO 7 HA PRO 6 -3.857 1.439 -5.144 29 HB2 PRO 7 HB2 PRO 6 -1.370 2.145 -6.021 30 HB3 PRO 7 HB3 PRO 6 -2.843 2.331 -6.991 31 HG2 PRO 7 HG2 PRO 6 -1.399 4.373 -5.374 32 HG3 PRO 7 HG3 PRO 6 -2.099 4.514 -6.991 33 HD2 PRO 7 HD2 PRO 6 -3.356 5.489 -4.807 34 HD3 PRO 7 HD3 PRO 6 -4.266 4.784 -6.165 35 H SER 8 H SER 7 -2.417 -0.115 -4.281 36 HA SER 8 HA SER 7 -1.599 0.348 -1.592 37 HB2 SER 8 HB2 SER 7 -0.936 -1.941 -1.574 38 HB3 SER 8 HB3 SER 7 -2.369 -1.856 -2.594 39 HG SER 8 HG SER 7 -1.101 -2.007 -4.379 40 H TYR 9 H TYR 8 -0.063 0.718 -4.652 41 HA TYR 9 HA TYR 8 2.624 0.335 -3.969 42 HB2 TYR 9 HB2 TYR 8 2.998 1.039 -6.078 43 HB3 TYR 9 HB3 TYR 8 1.243 1.150 -6.227 44 HD1 TYR 9 HD1 TYR 8 4.358 3.019 -5.808 45 HD2 TYR 9 HD2 TYR 8 0.094 3.296 -5.889 46 HE1 TYR 9 HE1 TYR 8 4.525 5.480 -6.043 47 HE2 TYR 9 HE2 TYR 8 0.235 5.749 -6.127 48 HH TYR 9 HH TYR 8 1.714 7.547 -5.818 49 H LEU 10 H LEU 9 0.382 2.751 -2.996 50 HA LEU 10 HA LEU 9 2.179 4.878 -2.483 51 HB2 LEU 10 HB2 LEU 9 -0.553 4.170 -1.413 52 HB3 LEU 10 HB3 LEU 9 0.313 5.623 -0.916 53 HG LEU 10 HG LEU 9 -0.213 4.936 -3.813 54 HD11 LEU 10 HD11 LEU 9 -2.032 6.654 -3.664 55 HD12 LEU 10 HD12 LEU 9 -1.813 6.681 -1.914 56 HD13 LEU 10 HD13 LEU 9 -2.376 5.211 -2.709 57 HD21 LEU 10 HD21 LEU 9 0.741 7.386 -2.315 58 HD22 LEU 10 HD22 LEU 9 0.139 7.478 -3.969 59 HD23 LEU 10 HD23 LEU 9 1.569 6.514 -3.603 60 H CYS 11 H CYS 10 1.339 1.962 -0.777 61 HA CYS 11 HA CYS 10 3.047 2.841 1.476 62 HB2 CYS 11 HB2 CYS 10 0.821 0.802 1.590 63 HB3 CYS 11 HB3 CYS 10 1.731 1.462 2.946 64 HA PRO 12 HA PRO 11 5.023 -0.783 -0.700 65 HB2 PRO 12 HB2 PRO 11 7.556 0.269 -0.604 66 HB3 PRO 12 HB3 PRO 11 6.416 0.574 -1.931 67 HG2 PRO 12 HG2 PRO 11 7.083 2.284 0.418 68 HG3 PRO 12 HG3 PRO 11 6.835 2.742 -1.276 69 HD2 PRO 12 HD2 PRO 11 4.914 3.098 0.599 70 HD3 PRO 12 HD3 PRO 11 4.519 2.713 -1.090 71 H TRP 13 H TRP 12 5.656 1.006 2.232 72 HA TRP 13 HA TRP 12 7.507 -0.802 3.414 73 HB2 TRP 13 HB2 TRP 12 6.889 0.365 5.527 74 HB3 TRP 13 HB3 TRP 12 7.321 1.476 4.226 75 HD1 TRP 13 HD1 TRP 12 4.259 0.068 6.056 76 HE1 TRP 13 HE1 TRP 12 2.293 1.704 5.741 77 HE3 TRP 13 HE3 TRP 12 6.387 3.391 2.818 78 HZ2 TRP 13 HZ2 TRP 12 1.705 4.115 4.315 79 HZ3 TRP 13 HZ3 TRP 12 5.105 5.350 2.004 80 HH2 TRP 13 HH2 TRP 12 2.767 5.714 2.746 81 H LEU 14 H LEU 13 4.131 -0.971 2.841 82 HA LEU 14 HA LEU 13 3.633 -2.755 5.049 83 HB2 LEU 14 HB2 LEU 13 1.989 -1.319 3.075 84 HB3 LEU 14 HB3 LEU 13 1.371 -2.895 3.580 85 HG LEU 14 HG LEU 13 2.309 -0.798 5.553 86 HD11 LEU 14 HD11 LEU 13 0.388 0.013 4.158 87 HD12 LEU 14 HD12 LEU 13 -0.018 -0.184 5.864 88 HD13 LEU 14 HD13 LEU 13 -0.533 -1.395 4.690 89 HD21 LEU 14 HD21 LEU 13 0.768 -3.401 5.731 90 HD22 LEU 14 HD22 LEU 13 0.733 -2.210 7.031 91 HD23 LEU 14 HD23 LEU 13 2.256 -2.963 6.569 92 HA PRO 15 HA PRO 14 5.091 -6.254 2.555 93 HB2 PRO 15 HB2 PRO 14 3.498 -7.675 4.658 94 HB3 PRO 15 HB3 PRO 14 5.145 -8.003 4.082 95 HG2 PRO 15 HG2 PRO 14 4.754 -6.810 6.402 96 HG3 PRO 15 HG3 PRO 14 6.061 -6.282 5.329 97 HD2 PRO 15 HD2 PRO 14 3.431 -4.983 5.886 98 HD3 PRO 15 HD3 PRO 14 5.017 -4.247 5.559 99 H GLY 16 H GLY 15 1.770 -6.074 3.816 100 HA2 GLY 16 HA2 GLY 15 0.593 -7.887 1.996 101 HA3 GLY 16 HA3 GLY 15 -0.265 -6.637 2.894 102 H CYS 17 H CYS 16 1.131 -4.393 1.858 103 HA CYS 17 HA CYS 16 -0.396 -3.833 -0.428 104 HB2 CYS 17 HB2 CYS 16 1.919 -2.515 0.933 105 HB3 CYS 17 HB3 CYS 16 1.443 -1.956 -0.667 106 HN1 NH2 18 HN1 NH2 102 -0.094 -4.514 -2.525 107 HN2 NH2 18 HN2 NH2 102 1.392 -5.002 -3.195 Start of MODEL 10 1 H1 ACE 1 H1 ACE 101 -9.767 -6.056 2.889 2 H2 ACE 1 H2 ACE 101 -8.888 -7.464 3.488 3 H3 ACE 1 H3 ACE 101 -9.733 -7.545 1.942 4 H GLY 2 H1 GLY 1 -7.038 -8.212 2.159 5 HA2 GLY 2 HA2 GLY 1 -5.002 -7.826 1.162 6 HA3 GLY 2 HA3 GLY 1 -5.857 -6.714 0.097 7 H CYS 3 H CYS 2 -4.695 -4.858 0.066 8 HA CYS 3 HA CYS 2 -3.585 -3.880 2.598 9 HB2 CYS 3 HB2 CYS 2 -2.443 -4.060 0.108 10 HB3 CYS 3 HB3 CYS 2 -2.942 -2.366 0.171 11 HA PRO 4 HA PRO 3 -6.839 -0.809 2.694 12 HB2 PRO 4 HB2 PRO 3 -5.763 0.963 4.464 13 HB3 PRO 4 HB3 PRO 3 -6.448 -0.599 4.955 14 HG2 PRO 4 HG2 PRO 3 -3.596 0.174 4.549 15 HG3 PRO 4 HG3 PRO 3 -4.329 -0.821 5.824 16 HD2 PRO 4 HD2 PRO 3 -3.020 -1.911 3.691 17 HD3 PRO 4 HD3 PRO 3 -4.374 -2.724 4.508 18 H CYS 5 H CYS 4 -3.600 -0.126 1.707 19 HA CYS 5 HA CYS 4 -4.133 2.621 0.928 20 HB2 CYS 5 HB2 CYS 4 -1.769 0.798 0.417 21 HB3 CYS 5 HB3 CYS 4 -1.838 2.505 -0.029 22 H GLU 6 H GLU 5 -4.956 3.244 -0.980 23 HA GLU 6 HA GLU 5 -4.761 1.398 -3.268 24 HB2 GLU 6 HB2 GLU 5 -7.003 1.171 -2.332 25 HB3 GLU 6 HB3 GLU 5 -7.238 2.917 -2.447 26 HG2 GLU 6 HG2 GLU 5 -6.985 2.835 -4.873 27 HG3 GLU 6 HG3 GLU 5 -6.630 1.111 -4.804 28 HA PRO 7 HA PRO 6 -3.863 1.424 -5.181 29 HB2 PRO 7 HB2 PRO 6 -1.385 2.148 -6.109 30 HB3 PRO 7 HB3 PRO 6 -2.872 2.345 -7.051 31 HG2 PRO 7 HG2 PRO 6 -1.396 4.365 -5.434 32 HG3 PRO 7 HG3 PRO 6 -2.122 4.525 -7.040 33 HD2 PRO 7 HD2 PRO 6 -3.359 5.477 -4.835 34 HD3 PRO 7 HD3 PRO 6 -4.278 4.775 -6.189 35 H SER 8 H SER 7 -2.478 -0.132 -4.303 36 HA SER 8 HA SER 7 -1.608 0.294 -1.644 37 HB2 SER 8 HB2 SER 7 -0.893 -1.990 -1.697 38 HB3 SER 8 HB3 SER 7 -2.356 -1.895 -2.670 39 HG SER 8 HG SER 7 -1.209 -2.188 -4.449 40 H TYR 9 H TYR 8 -0.036 0.742 -4.693 41 HA TYR 9 HA TYR 8 2.638 0.346 -3.937 42 HB2 TYR 9 HB2 TYR 8 3.118 1.083 -6.013 43 HB3 TYR 9 HB3 TYR 8 1.370 1.122 -6.251 44 HD1 TYR 9 HD1 TYR 8 4.392 3.108 -5.728 45 HD2 TYR 9 HD2 TYR 8 0.115 3.243 -5.967 46 HE1 TYR 9 HE1 TYR 8 4.484 5.572 -5.997 47 HE2 TYR 9 HE2 TYR 8 0.195 5.697 -6.239 48 HH TYR 9 HH TYR 8 1.679 7.546 -5.770 49 H LEU 10 H LEU 9 0.391 2.786 -3.026 50 HA LEU 10 HA LEU 9 2.188 4.906 -2.462 51 HB2 LEU 10 HB2 LEU 9 -0.557 4.222 -1.396 52 HB3 LEU 10 HB3 LEU 9 0.316 5.693 -0.963 53 HG LEU 10 HG LEU 9 -0.231 4.894 -3.823 54 HD11 LEU 10 HD11 LEU 9 -1.994 6.743 -3.660 55 HD12 LEU 10 HD12 LEU 9 -1.843 6.596 -1.908 56 HD13 LEU 10 HD13 LEU 9 -2.397 5.221 -2.866 57 HD21 LEU 10 HD21 LEU 9 0.749 7.396 -2.431 58 HD22 LEU 10 HD22 LEU 9 0.135 7.423 -4.084 59 HD23 LEU 10 HD23 LEU 9 1.562 6.467 -3.689 60 H CYS 11 H CYS 10 1.394 1.955 -0.819 61 HA CYS 11 HA CYS 10 3.016 2.846 1.495 62 HB2 CYS 11 HB2 CYS 10 0.751 0.835 1.540 63 HB3 CYS 11 HB3 CYS 10 1.665 1.428 2.927 64 HA PRO 12 HA PRO 11 4.977 -0.795 -0.679 65 HB2 PRO 12 HB2 PRO 11 7.515 0.251 -0.619 66 HB3 PRO 12 HB3 PRO 11 6.360 0.545 -1.936 67 HG2 PRO 12 HG2 PRO 11 7.069 2.282 0.380 68 HG3 PRO 12 HG3 PRO 11 6.786 2.719 -1.317 69 HD2 PRO 12 HD2 PRO 11 4.900 3.089 0.607 70 HD3 PRO 12 HD3 PRO 11 4.477 2.710 -1.072 71 H TRP 13 H TRP 12 5.606 1.018 2.228 72 HA TRP 13 HA TRP 12 7.453 -0.783 3.422 73 HB2 TRP 13 HB2 TRP 12 6.802 0.354 5.546 74 HB3 TRP 13 HB3 TRP 12 7.277 1.475 4.270 75 HD1 TRP 13 HD1 TRP 12 4.161 0.103 6.042 76 HE1 TRP 13 HE1 TRP 12 2.225 1.770 5.698 77 HE3 TRP 13 HE3 TRP 12 6.389 3.392 2.835 78 HZ2 TRP 13 HZ2 TRP 12 1.694 4.186 4.259 79 HZ3 TRP 13 HZ3 TRP 12 5.149 5.368 1.997 80 HH2 TRP 13 HH2 TRP 12 2.805 5.769 2.704 81 H LEU 14 H LEU 13 4.064 -0.962 2.856 82 HA LEU 14 HA LEU 13 3.585 -2.769 5.065 83 HB2 LEU 14 HB2 LEU 13 1.937 -1.356 3.060 84 HB3 LEU 14 HB3 LEU 13 1.325 -2.926 3.591 85 HG LEU 14 HG LEU 13 2.236 -0.782 5.526 86 HD11 LEU 14 HD11 LEU 13 0.368 0.147 4.298 87 HD12 LEU 14 HD12 LEU 13 -0.235 -0.397 5.864 88 HD13 LEU 14 HD13 LEU 13 -0.525 -1.369 4.422 89 HD21 LEU 14 HD21 LEU 13 0.721 -3.398 5.738 90 HD22 LEU 14 HD22 LEU 13 0.658 -2.185 7.017 91 HD23 LEU 14 HD23 LEU 13 2.196 -2.924 6.581 92 HA PRO 15 HA PRO 14 5.075 -6.263 2.573 93 HB2 PRO 15 HB2 PRO 14 3.472 -7.747 4.624 94 HB3 PRO 15 HB3 PRO 14 5.128 -8.048 4.056 95 HG2 PRO 15 HG2 PRO 14 4.714 -6.929 6.403 96 HG3 PRO 15 HG3 PRO 14 6.017 -6.348 5.348 97 HD2 PRO 15 HD2 PRO 14 3.349 -5.098 5.910 98 HD3 PRO 15 HD3 PRO 14 4.929 -4.322 5.645 99 H GLY 16 H GLY 15 1.755 -6.075 3.800 100 HA2 GLY 16 HA2 GLY 15 0.560 -7.892 2.005 101 HA3 GLY 16 HA3 GLY 15 -0.281 -6.608 2.873 102 H CYS 17 H CYS 16 1.152 -4.411 1.802 103 HA CYS 17 HA CYS 16 -0.345 -3.872 -0.515 104 HB2 CYS 17 HB2 CYS 16 1.957 -2.557 0.868 105 HB3 CYS 17 HB3 CYS 16 1.529 -2.024 -0.754 106 HN1 NH2 18 HN1 NH2 102 0.023 -4.449 -2.637 107 HN2 NH2 18 HN2 NH2 102 1.504 -5.014 -3.257 Start of MODEL 11 1 H1 ACE 1 H1 ACE 101 -6.717 -10.187 3.400 2 H2 ACE 1 H2 ACE 101 -7.960 -8.939 3.502 3 H3 ACE 1 H3 ACE 101 -6.617 -8.942 4.645 4 H GLY 2 H1 GLY 1 -7.778 -7.546 1.861 5 HA2 GLY 2 HA2 GLY 1 -5.369 -7.181 0.363 6 HA3 GLY 2 HA3 GLY 1 -6.860 -6.259 0.178 7 H CYS 3 H CYS 2 -4.359 -5.019 0.011 8 HA CYS 3 HA CYS 2 -3.566 -3.905 2.506 9 HB2 CYS 3 HB2 CYS 2 -2.447 -4.014 0.014 10 HB3 CYS 3 HB3 CYS 2 -2.959 -2.326 0.105 11 HA PRO 4 HA PRO 3 -6.797 -0.807 2.777 12 HB2 PRO 4 HB2 PRO 3 -5.635 0.898 4.569 13 HB3 PRO 4 HB3 PRO 3 -6.357 -0.655 5.032 14 HG2 PRO 4 HG2 PRO 3 -3.492 0.042 4.583 15 HG3 PRO 4 HG3 PRO 3 -4.227 -0.959 5.852 16 HD2 PRO 4 HD2 PRO 3 -2.998 -2.049 3.685 17 HD3 PRO 4 HD3 PRO 3 -4.385 -2.824 4.485 18 H CYS 5 H CYS 4 -3.615 -0.197 1.635 19 HA CYS 5 HA CYS 4 -4.138 2.592 0.934 20 HB2 CYS 5 HB2 CYS 4 -1.755 0.792 0.444 21 HB3 CYS 5 HB3 CYS 4 -1.831 2.497 -0.001 22 H GLU 6 H GLU 5 -4.931 3.234 -0.965 23 HA GLU 6 HA GLU 5 -4.718 1.408 -3.259 24 HB2 GLU 6 HB2 GLU 5 -7.211 2.853 -2.367 25 HB3 GLU 6 HB3 GLU 5 -7.037 1.951 -3.873 26 HG2 GLU 6 HG2 GLU 5 -6.456 -0.083 -2.572 27 HG3 GLU 6 HG3 GLU 5 -6.695 0.827 -1.081 28 HA PRO 7 HA PRO 6 -3.844 1.438 -5.198 29 HB2 PRO 7 HB2 PRO 6 -1.349 2.187 -6.084 30 HB3 PRO 7 HB3 PRO 6 -2.824 2.333 -7.053 31 HG2 PRO 7 HG2 PRO 6 -1.392 4.416 -5.491 32 HG3 PRO 7 HG3 PRO 6 -2.166 4.527 -7.076 33 HD2 PRO 7 HD2 PRO 6 -3.352 5.487 -4.835 34 HD3 PRO 7 HD3 PRO 6 -4.289 4.791 -6.176 35 H SER 8 H SER 7 -2.438 -0.117 -4.361 36 HA SER 8 HA SER 7 -1.595 0.242 -1.681 37 HB2 SER 8 HB2 SER 7 -0.807 -2.032 -1.820 38 HB3 SER 8 HB3 SER 7 -2.313 -1.930 -2.726 39 HG SER 8 HG SER 7 0.335 -1.858 -3.749 40 H TYR 9 H TYR 8 -0.016 0.767 -4.717 41 HA TYR 9 HA TYR 8 2.662 0.409 -3.948 42 HB2 TYR 9 HB2 TYR 8 3.125 1.147 -6.025 43 HB3 TYR 9 HB3 TYR 8 1.375 1.197 -6.258 44 HD1 TYR 9 HD1 TYR 8 4.404 3.172 -5.650 45 HD2 TYR 9 HD2 TYR 8 0.137 3.316 -6.037 46 HE1 TYR 9 HE1 TYR 8 4.510 5.635 -5.904 47 HE2 TYR 9 HE2 TYR 8 0.231 5.771 -6.292 48 HH TYR 9 HH TYR 8 2.078 7.462 -7.116 49 H LEU 10 H LEU 9 0.363 2.790 -3.008 50 HA LEU 10 HA LEU 9 2.128 4.935 -2.428 51 HB2 LEU 10 HB2 LEU 9 -0.601 4.208 -1.349 52 HB3 LEU 10 HB3 LEU 9 0.248 5.695 -0.934 53 HG LEU 10 HG LEU 9 -0.340 4.861 -3.778 54 HD11 LEU 10 HD11 LEU 9 -2.479 5.207 -2.759 55 HD12 LEU 10 HD12 LEU 9 -2.098 6.705 -3.607 56 HD13 LEU 10 HD13 LEU 9 -1.896 6.607 -1.858 57 HD21 LEU 10 HD21 LEU 9 0.023 7.386 -4.085 58 HD22 LEU 10 HD22 LEU 9 1.457 6.432 -3.716 59 HD23 LEU 10 HD23 LEU 9 0.680 7.381 -2.448 60 H CYS 11 H CYS 10 1.371 1.959 -0.814 61 HA CYS 11 HA CYS 10 2.990 2.839 1.505 62 HB2 CYS 11 HB2 CYS 10 0.723 0.827 1.521 63 HB3 CYS 11 HB3 CYS 10 1.654 1.373 2.917 64 HA PRO 12 HA PRO 11 4.965 -0.766 -0.699 65 HB2 PRO 12 HB2 PRO 11 7.501 0.298 -0.636 66 HB3 PRO 12 HB3 PRO 11 6.347 0.568 -1.957 67 HG2 PRO 12 HG2 PRO 11 7.059 2.341 0.324 68 HG3 PRO 12 HG3 PRO 11 6.719 2.748 -1.369 69 HD2 PRO 12 HD2 PRO 11 4.883 3.101 0.623 70 HD3 PRO 12 HD3 PRO 11 4.429 2.748 -1.053 71 H TRP 13 H TRP 12 5.611 1.023 2.223 72 HA TRP 13 HA TRP 12 7.462 -0.804 3.379 73 HB2 TRP 13 HB2 TRP 12 6.911 0.344 5.504 74 HB3 TRP 13 HB3 TRP 12 7.289 1.483 4.210 75 HD1 TRP 13 HD1 TRP 12 4.325 0.040 6.164 76 HE1 TRP 13 HE1 TRP 12 2.325 1.649 5.934 77 HE3 TRP 13 HE3 TRP 12 6.254 3.371 2.808 78 HZ2 TRP 13 HZ2 TRP 12 1.637 4.038 4.522 79 HZ3 TRP 13 HZ3 TRP 12 4.906 5.306 2.043 80 HH2 TRP 13 HH2 TRP 12 2.602 5.643 2.895 81 H LEU 14 H LEU 13 4.080 -0.963 2.826 82 HA LEU 14 HA LEU 13 3.580 -2.740 5.054 83 HB2 LEU 14 HB2 LEU 13 1.948 -1.343 3.026 84 HB3 LEU 14 HB3 LEU 13 1.325 -2.899 3.581 85 HG LEU 14 HG LEU 13 2.256 -0.744 5.489 86 HD11 LEU 14 HD11 LEU 13 -0.089 -0.127 5.772 87 HD12 LEU 14 HD12 LEU 13 -0.576 -1.335 4.582 88 HD13 LEU 14 HD13 LEU 13 0.364 0.070 4.078 89 HD21 LEU 14 HD21 LEU 13 0.651 -2.099 6.989 90 HD22 LEU 14 HD22 LEU 13 2.177 -2.870 6.569 91 HD23 LEU 14 HD23 LEU 13 0.698 -3.329 5.726 92 HA PRO 15 HA PRO 14 5.054 -6.268 2.600 93 HB2 PRO 15 HB2 PRO 14 3.478 -7.711 4.702 94 HB3 PRO 15 HB3 PRO 14 5.126 -8.023 4.114 95 HG2 PRO 15 HG2 PRO 14 4.755 -6.859 6.444 96 HG3 PRO 15 HG3 PRO 14 6.034 -6.291 5.354 97 HD2 PRO 15 HD2 PRO 14 3.364 -5.050 5.934 98 HD3 PRO 15 HD3 PRO 14 4.937 -4.268 5.641 99 H GLY 16 H GLY 15 1.742 -6.024 3.843 100 HA2 GLY 16 HA2 GLY 15 0.523 -7.888 2.115 101 HA3 GLY 16 HA3 GLY 15 -0.302 -6.569 2.939 102 H CYS 17 H CYS 16 1.135 -4.420 1.786 103 HA CYS 17 HA CYS 16 -0.360 -3.944 -0.544 104 HB2 CYS 17 HB2 CYS 16 1.981 -2.622 0.769 105 HB3 CYS 17 HB3 CYS 16 1.549 -2.141 -0.868 106 HN1 NH2 18 HN1 NH2 102 -0.033 -4.660 -2.630 107 HN2 NH2 18 HN2 NH2 102 1.438 -5.262 -3.243 Start of MODEL 12 1 H1 ACE 1 H1 ACE 101 -8.858 -9.046 2.791 2 H2 ACE 1 H2 ACE 101 -8.422 -8.022 4.159 3 H3 ACE 1 H3 ACE 101 -7.674 -9.609 3.971 4 H GLY 2 H1 GLY 1 -8.250 -6.947 1.669 5 HA2 GLY 2 HA2 GLY 1 -5.568 -7.232 0.602 6 HA3 GLY 2 HA3 GLY 1 -6.818 -6.145 0.009 7 H CYS 3 H CYS 2 -4.546 -4.943 0.013 8 HA CYS 3 HA CYS 2 -3.709 -3.887 2.520 9 HB2 CYS 3 HB2 CYS 2 -2.659 -3.921 -0.058 10 HB3 CYS 3 HB3 CYS 2 -3.019 -2.218 0.247 11 HA PRO 4 HA PRO 3 -6.795 -0.657 2.857 12 HB2 PRO 4 HB2 PRO 3 -5.523 1.020 4.600 13 HB3 PRO 4 HB3 PRO 3 -6.253 -0.521 5.092 14 HG2 PRO 4 HG2 PRO 3 -3.401 0.132 4.540 15 HG3 PRO 4 HG3 PRO 3 -4.106 -0.878 5.817 16 HD2 PRO 4 HD2 PRO 3 -2.970 -1.921 3.568 17 HD3 PRO 4 HD3 PRO 3 -4.283 -2.728 4.450 18 H CYS 5 H CYS 4 -3.616 -0.104 1.649 19 HA CYS 5 HA CYS 4 -4.148 2.669 0.913 20 HB2 CYS 5 HB2 CYS 4 -1.764 0.863 0.395 21 HB3 CYS 5 HB3 CYS 4 -1.850 2.575 -0.036 22 H GLU 6 H GLU 5 -4.909 3.296 -1.017 23 HA GLU 6 HA GLU 5 -4.743 1.397 -3.246 24 HB2 GLU 6 HB2 GLU 5 -6.968 1.149 -2.318 25 HB3 GLU 6 HB3 GLU 5 -7.230 2.892 -2.467 26 HG2 GLU 6 HG2 GLU 5 -7.018 2.786 -4.875 27 HG3 GLU 6 HG3 GLU 5 -6.546 1.089 -4.796 28 HA PRO 7 HA PRO 6 -3.871 1.380 -5.166 29 HB2 PRO 7 HB2 PRO 6 -1.365 2.062 -6.077 30 HB3 PRO 7 HB3 PRO 6 -2.837 2.225 -7.047 31 HG2 PRO 7 HG2 PRO 6 -1.368 4.305 -5.505 32 HG3 PRO 7 HG3 PRO 6 -2.103 4.406 -7.113 33 HD2 PRO 7 HD2 PRO 6 -3.315 5.429 -4.922 34 HD3 PRO 7 HD3 PRO 6 -4.241 4.712 -6.257 35 H SER 8 H SER 7 -2.451 -0.169 -4.307 36 HA SER 8 HA SER 7 -1.638 0.275 -1.620 37 HB2 SER 8 HB2 SER 7 -0.905 -2.004 -1.651 38 HB3 SER 8 HB3 SER 7 -2.386 -1.920 -2.601 39 HG SER 8 HG SER 7 -0.864 -3.065 -3.762 40 H TYR 9 H TYR 8 -0.043 0.685 -4.657 41 HA TYR 9 HA TYR 8 2.632 0.300 -3.877 42 HB2 TYR 9 HB2 TYR 8 3.100 0.975 -5.981 43 HB3 TYR 9 HB3 TYR 8 1.350 1.032 -6.209 44 HD1 TYR 9 HD1 TYR 8 4.398 2.995 -5.708 45 HD2 TYR 9 HD2 TYR 8 0.128 3.162 -6.005 46 HE1 TYR 9 HE1 TYR 8 4.516 5.452 -6.031 47 HE2 TYR 9 HE2 TYR 8 0.231 5.607 -6.328 48 HH TYR 9 HH TYR 8 3.173 7.392 -5.840 49 H LEU 10 H LEU 9 0.369 2.746 -3.013 50 HA LEU 10 HA LEU 9 2.192 4.870 -2.492 51 HB2 LEU 10 HB2 LEU 9 -0.580 4.253 -1.461 52 HB3 LEU 10 HB3 LEU 9 0.305 5.719 -1.038 53 HG LEU 10 HG LEU 9 -0.202 4.869 -3.895 54 HD11 LEU 10 HD11 LEU 9 -2.372 5.255 -2.928 55 HD12 LEU 10 HD12 LEU 9 -1.946 6.716 -3.821 56 HD13 LEU 10 HD13 LEU 9 -1.795 6.680 -2.064 57 HD21 LEU 10 HD21 LEU 9 0.209 7.386 -4.206 58 HD22 LEU 10 HD22 LEU 9 1.616 6.421 -3.765 59 HD23 LEU 10 HD23 LEU 9 0.793 7.389 -2.542 60 H CYS 11 H CYS 10 1.424 1.936 -0.847 61 HA CYS 11 HA CYS 10 2.982 2.866 1.487 62 HB2 CYS 11 HB2 CYS 10 0.711 0.861 1.478 63 HB3 CYS 11 HB3 CYS 10 1.632 1.388 2.888 64 HA PRO 12 HA PRO 11 5.041 -0.756 -0.637 65 HB2 PRO 12 HB2 PRO 11 7.562 0.331 -0.501 66 HB3 PRO 12 HB3 PRO 11 6.447 0.593 -1.858 67 HG2 PRO 12 HG2 PRO 11 7.049 2.358 0.470 68 HG3 PRO 12 HG3 PRO 11 6.812 2.780 -1.239 69 HD2 PRO 12 HD2 PRO 11 4.865 3.138 0.613 70 HD3 PRO 12 HD3 PRO 11 4.499 2.723 -1.072 71 H TRP 13 H TRP 12 5.547 1.051 2.290 72 HA TRP 13 HA TRP 12 7.402 -0.715 3.535 73 HB2 TRP 13 HB2 TRP 12 6.642 0.422 5.640 74 HB3 TRP 13 HB3 TRP 12 7.185 1.532 4.381 75 HD1 TRP 13 HD1 TRP 12 3.982 0.167 5.989 76 HE1 TRP 13 HE1 TRP 12 2.063 1.826 5.534 77 HE3 TRP 13 HE3 TRP 12 6.381 3.460 2.919 78 HZ2 TRP 13 HZ2 TRP 12 1.614 4.246 4.077 79 HZ3 TRP 13 HZ3 TRP 12 5.190 5.441 2.021 80 HH2 TRP 13 HH2 TRP 12 2.811 5.837 2.595 81 H LEU 14 H LEU 13 4.063 -0.985 2.814 82 HA LEU 14 HA LEU 13 3.543 -2.781 5.031 83 HB2 LEU 14 HB2 LEU 13 1.916 -1.408 2.985 84 HB3 LEU 14 HB3 LEU 13 1.317 -2.978 3.537 85 HG LEU 14 HG LEU 13 2.192 -0.801 5.444 86 HD11 LEU 14 HD11 LEU 13 -0.650 -1.454 4.657 87 HD12 LEU 14 HD12 LEU 13 0.262 -0.128 3.934 88 HD13 LEU 14 HD13 LEU 13 -0.088 -0.121 5.662 89 HD21 LEU 14 HD21 LEU 13 0.680 -3.413 5.693 90 HD22 LEU 14 HD22 LEU 13 0.603 -2.175 6.947 91 HD23 LEU 14 HD23 LEU 13 2.145 -2.922 6.543 92 HA PRO 15 HA PRO 14 5.167 -6.226 2.534 93 HB2 PRO 15 HB2 PRO 14 3.614 -7.737 4.602 94 HB3 PRO 15 HB3 PRO 14 5.279 -7.988 4.035 95 HG2 PRO 15 HG2 PRO 14 4.819 -6.850 6.371 96 HG3 PRO 15 HG3 PRO 14 6.115 -6.252 5.318 97 HD2 PRO 15 HD2 PRO 14 3.422 -5.067 5.863 98 HD3 PRO 15 HD3 PRO 14 4.980 -4.254 5.575 99 H GLY 16 H GLY 15 1.838 -6.144 3.751 100 HA2 GLY 16 HA2 GLY 15 0.724 -8.003 1.945 101 HA3 GLY 16 HA3 GLY 15 -0.172 -6.768 2.827 102 H CYS 17 H CYS 16 1.163 -4.505 1.764 103 HA CYS 17 HA CYS 16 -0.374 -3.985 -0.516 104 HB2 CYS 17 HB2 CYS 16 1.970 -2.630 0.773 105 HB3 CYS 17 HB3 CYS 16 1.418 -2.087 -0.804 106 HN1 NH2 18 HN1 NH2 102 -0.062 -4.543 -2.642 107 HN2 NH2 18 HN2 NH2 102 1.405 -5.093 -3.310 Start of MODEL 13 1 H1 ACE 1 H1 ACE 101 -7.671 -8.983 3.883 2 H2 ACE 1 H2 ACE 101 -9.208 -8.945 3.018 3 H3 ACE 1 H3 ACE 101 -8.897 -7.791 4.315 4 H GLY 2 H1 GLY 1 -6.167 -8.432 2.412 5 HA2 GLY 2 HA2 GLY 1 -5.203 -7.359 0.576 6 HA3 GLY 2 HA3 GLY 1 -6.678 -6.416 0.385 7 H CYS 3 H CYS 2 -4.552 -4.928 0.058 8 HA CYS 3 HA CYS 2 -3.603 -3.880 2.586 9 HB2 CYS 3 HB2 CYS 2 -2.441 -4.067 0.134 10 HB3 CYS 3 HB3 CYS 2 -2.970 -2.384 0.137 11 HA PRO 4 HA PRO 3 -6.838 -0.777 2.726 12 HB2 PRO 4 HB2 PRO 3 -5.680 0.979 4.493 13 HB3 PRO 4 HB3 PRO 3 -6.474 -0.532 4.979 14 HG2 PRO 4 HG2 PRO 3 -3.579 0.069 4.672 15 HG3 PRO 4 HG3 PRO 3 -4.409 -0.923 5.884 16 HD2 PRO 4 HD2 PRO 3 -3.070 -2.006 3.753 17 HD3 PRO 4 HD3 PRO 3 -4.472 -2.790 4.515 18 H CYS 5 H CYS 4 -3.599 -0.164 1.722 19 HA CYS 5 HA CYS 4 -4.090 2.586 0.923 20 HB2 CYS 5 HB2 CYS 4 -1.755 0.723 0.449 21 HB3 CYS 5 HB3 CYS 4 -1.796 2.422 -0.033 22 H GLU 6 H GLU 5 -4.890 3.201 -0.993 23 HA GLU 6 HA GLU 5 -4.707 1.339 -3.261 24 HB2 GLU 6 HB2 GLU 5 -6.935 1.057 -2.334 25 HB3 GLU 6 HB3 GLU 5 -7.209 2.796 -2.410 26 HG2 GLU 6 HG2 GLU 5 -6.988 2.772 -4.827 27 HG3 GLU 6 HG3 GLU 5 -6.567 1.060 -4.809 28 HA PRO 7 HA PRO 6 -3.821 1.380 -5.185 29 HB2 PRO 7 HB2 PRO 6 -1.336 2.129 -6.080 30 HB3 PRO 7 HB3 PRO 6 -2.814 2.272 -7.051 31 HG2 PRO 7 HG2 PRO 6 -1.380 4.366 -5.494 32 HG3 PRO 7 HG3 PRO 6 -2.158 4.469 -7.081 33 HD2 PRO 7 HD2 PRO 6 -3.344 5.425 -4.837 34 HD3 PRO 7 HD3 PRO 6 -4.278 4.732 -6.181 35 H SER 8 H SER 7 -2.414 -0.162 -4.326 36 HA SER 8 HA SER 7 -1.590 0.241 -1.650 37 HB2 SER 8 HB2 SER 7 -0.828 -2.037 -1.740 38 HB3 SER 8 HB3 SER 7 -2.310 -1.939 -2.686 39 HG SER 8 HG SER 7 -1.209 -2.439 -4.396 40 H TYR 9 H TYR 8 0.005 0.725 -4.683 41 HA TYR 9 HA TYR 8 2.680 0.365 -3.904 42 HB2 TYR 9 HB2 TYR 8 3.151 1.085 -5.987 43 HB3 TYR 9 HB3 TYR 8 1.403 1.120 -6.224 44 HD1 TYR 9 HD1 TYR 8 4.418 3.118 -5.689 45 HD2 TYR 9 HD2 TYR 8 0.144 3.237 -5.964 46 HE1 TYR 9 HE1 TYR 8 4.503 5.580 -5.968 47 HE2 TYR 9 HE2 TYR 8 0.216 5.690 -6.244 48 HH TYR 9 HH TYR 8 2.335 7.563 -5.406 49 H LEU 10 H LEU 9 0.387 2.755 -2.991 50 HA LEU 10 HA LEU 9 2.139 4.917 -2.445 51 HB2 LEU 10 HB2 LEU 9 -0.571 4.169 -1.331 52 HB3 LEU 10 HB3 LEU 9 0.270 5.664 -0.926 53 HG LEU 10 HG LEU 9 -0.335 4.821 -3.766 54 HD11 LEU 10 HD11 LEU 9 -2.467 5.141 -2.720 55 HD12 LEU 10 HD12 LEU 9 -2.116 6.636 -3.585 56 HD13 LEU 10 HD13 LEU 9 -1.894 6.556 -1.837 57 HD21 LEU 10 HD21 LEU 9 1.442 6.415 -3.724 58 HD22 LEU 10 HD22 LEU 9 0.670 7.354 -2.446 59 HD23 LEU 10 HD23 LEU 9 -0.008 7.355 -4.073 60 H CYS 11 H CYS 10 1.359 1.974 -0.767 61 HA CYS 11 HA CYS 10 3.034 2.865 1.507 62 HB2 CYS 11 HB2 CYS 10 0.791 0.835 1.604 63 HB3 CYS 11 HB3 CYS 10 1.701 1.483 2.969 64 HA PRO 12 HA PRO 11 4.968 -0.793 -0.671 65 HB2 PRO 12 HB2 PRO 11 7.508 0.237 -0.642 66 HB3 PRO 12 HB3 PRO 11 6.341 0.551 -1.943 67 HG2 PRO 12 HG2 PRO 11 7.081 2.262 0.386 68 HG3 PRO 12 HG3 PRO 11 6.801 2.714 -1.306 69 HD2 PRO 12 HD2 PRO 11 4.920 3.093 0.616 70 HD3 PRO 12 HD3 PRO 11 4.491 2.718 -1.062 71 H TRP 13 H TRP 12 5.604 1.018 2.229 72 HA TRP 13 HA TRP 12 7.458 -0.778 3.426 73 HB2 TRP 13 HB2 TRP 12 6.781 0.365 5.551 74 HB3 TRP 13 HB3 TRP 12 7.296 1.474 4.281 75 HD1 TRP 13 HD1 TRP 12 4.121 0.138 5.979 76 HE1 TRP 13 HE1 TRP 12 2.213 1.830 5.592 77 HE3 TRP 13 HE3 TRP 12 6.472 3.414 2.851 78 HZ2 TRP 13 HZ2 TRP 12 1.750 4.258 4.150 79 HZ3 TRP 13 HZ3 TRP 12 5.281 5.410 1.992 80 HH2 TRP 13 HH2 TRP 12 2.923 5.836 2.635 81 H LEU 14 H LEU 13 4.075 -0.946 2.845 82 HA LEU 14 HA LEU 13 3.597 -2.763 5.044 83 HB2 LEU 14 HB2 LEU 13 1.944 -1.315 3.084 84 HB3 LEU 14 HB3 LEU 13 1.323 -2.887 3.595 85 HG LEU 14 HG LEU 13 2.283 -0.793 5.557 86 HD11 LEU 14 HD11 LEU 13 -0.558 -1.347 4.649 87 HD12 LEU 14 HD12 LEU 13 0.384 0.075 4.201 88 HD13 LEU 14 HD13 LEU 13 -0.064 -0.189 5.885 89 HD21 LEU 14 HD21 LEU 13 2.208 -2.951 6.571 90 HD22 LEU 14 HD22 LEU 13 0.715 -3.378 5.735 91 HD23 LEU 14 HD23 LEU 13 0.690 -2.185 7.035 92 HA PRO 15 HA PRO 14 5.050 -6.226 2.481 93 HB2 PRO 15 HB2 PRO 14 3.498 -7.720 4.566 94 HB3 PRO 15 HB3 PRO 14 5.136 -8.021 3.949 95 HG2 PRO 15 HG2 PRO 14 4.803 -6.914 6.312 96 HG3 PRO 15 HG3 PRO 14 6.067 -6.320 5.218 97 HD2 PRO 15 HD2 PRO 14 3.405 -5.087 5.865 98 HD3 PRO 15 HD3 PRO 14 4.972 -4.299 5.568 99 H GLY 16 H GLY 15 1.754 -6.031 3.771 100 HA2 GLY 16 HA2 GLY 15 0.518 -7.847 2.004 101 HA3 GLY 16 HA3 GLY 15 -0.300 -6.559 2.882 102 H CYS 17 H CYS 16 1.111 -4.367 1.776 103 HA CYS 17 HA CYS 16 -0.420 -3.836 -0.511 104 HB2 CYS 17 HB2 CYS 16 1.910 -2.522 0.820 105 HB3 CYS 17 HB3 CYS 16 1.465 -2.004 -0.804 106 HN1 NH2 18 HN1 NH2 102 0.077 -3.950 -2.731 107 HN2 NH2 18 HN2 NH2 102 1.456 -4.737 -3.340 Start of MODEL 14 1 H1 ACE 1 H1 ACE 101 -7.046 -9.400 4.591 2 H2 ACE 1 H2 ACE 101 -8.190 -9.474 3.251 3 H3 ACE 1 H3 ACE 101 -8.190 -8.081 4.331 4 H GLY 2 H1 GLY 1 -8.032 -7.191 1.955 5 HA2 GLY 2 HA2 GLY 1 -5.399 -7.244 0.769 6 HA3 GLY 2 HA3 GLY 1 -6.767 -6.275 0.231 7 H CYS 3 H CYS 2 -4.350 -5.097 0.194 8 HA CYS 3 HA CYS 2 -3.606 -3.843 2.616 9 HB2 CYS 3 HB2 CYS 2 -2.535 -3.975 0.058 10 HB3 CYS 3 HB3 CYS 2 -2.987 -2.277 0.240 11 HA PRO 4 HA PRO 3 -6.812 -0.707 2.774 12 HB2 PRO 4 HB2 PRO 3 -5.675 1.022 4.545 13 HB3 PRO 4 HB3 PRO 3 -6.334 -0.554 5.032 14 HG2 PRO 4 HG2 PRO 3 -3.507 0.240 4.523 15 HG3 PRO 4 HG3 PRO 3 -4.182 -0.772 5.814 16 HD2 PRO 4 HD2 PRO 3 -2.961 -1.811 3.606 17 HD3 PRO 4 HD3 PRO 3 -4.248 -2.662 4.486 18 H CYS 5 H CYS 4 -3.625 -0.115 1.631 19 HA CYS 5 HA CYS 4 -4.143 2.657 0.899 20 HB2 CYS 5 HB2 CYS 4 -1.775 0.832 0.381 21 HB3 CYS 5 HB3 CYS 4 -1.842 2.543 -0.053 22 H GLU 6 H GLU 5 -4.940 3.293 -1.007 23 HA GLU 6 HA GLU 5 -4.758 1.423 -3.263 24 HB2 GLU 6 HB2 GLU 5 -7.005 1.189 -2.330 25 HB3 GLU 6 HB3 GLU 5 -7.248 2.933 -2.497 26 HG2 GLU 6 HG2 GLU 5 -8.244 1.769 -4.417 27 HG3 GLU 6 HG3 GLU 5 -6.880 2.748 -4.944 28 HA PRO 7 HA PRO 6 -3.888 1.402 -5.172 29 HB2 PRO 7 HB2 PRO 6 -1.387 2.077 -6.101 30 HB3 PRO 7 HB3 PRO 6 -2.863 2.279 -7.058 31 HG2 PRO 7 HG2 PRO 6 -1.372 4.302 -5.455 32 HG3 PRO 7 HG3 PRO 6 -2.069 4.451 -7.076 33 HD2 PRO 7 HD2 PRO 6 -3.322 5.454 -4.905 34 HD3 PRO 7 HD3 PRO 6 -4.238 4.740 -6.253 35 H SER 8 H SER 7 -2.462 -0.155 -4.326 36 HA SER 8 HA SER 7 -1.634 0.274 -1.642 37 HB2 SER 8 HB2 SER 7 -0.879 -1.998 -1.695 38 HB3 SER 8 HB3 SER 7 -2.371 -1.916 -2.627 39 HG SER 8 HG SER 7 0.273 -2.263 -3.469 40 H TYR 9 H TYR 8 -0.042 0.669 -4.688 41 HA TYR 9 HA TYR 8 2.632 0.295 -3.927 42 HB2 TYR 9 HB2 TYR 8 3.078 1.000 -6.030 43 HB3 TYR 9 HB3 TYR 8 1.328 1.065 -6.241 44 HD1 TYR 9 HD1 TYR 8 4.383 3.019 -5.710 45 HD2 TYR 9 HD2 TYR 8 0.114 3.186 -6.031 46 HE1 TYR 9 HE1 TYR 8 4.501 5.481 -5.997 47 HE2 TYR 9 HE2 TYR 8 0.219 5.638 -6.318 48 HH TYR 9 HH TYR 8 3.249 7.303 -6.790 49 H LEU 10 H LEU 9 0.370 2.737 -3.020 50 HA LEU 10 HA LEU 9 2.191 4.852 -2.494 51 HB2 LEU 10 HB2 LEU 9 -0.570 4.224 -1.450 52 HB3 LEU 10 HB3 LEU 9 0.317 5.686 -1.013 53 HG LEU 10 HG LEU 9 -0.188 4.869 -3.880 54 HD11 LEU 10 HD11 LEU 9 -2.361 5.228 -2.881 55 HD12 LEU 10 HD12 LEU 9 -1.958 6.675 -3.804 56 HD13 LEU 10 HD13 LEU 9 -1.793 6.675 -2.049 57 HD21 LEU 10 HD21 LEU 9 0.798 7.373 -2.495 58 HD22 LEU 10 HD22 LEU 9 0.203 7.396 -4.155 59 HD23 LEU 10 HD23 LEU 9 1.614 6.428 -3.740 60 H CYS 11 H CYS 10 1.391 1.934 -0.820 61 HA CYS 11 HA CYS 10 2.986 2.862 1.492 62 HB2 CYS 11 HB2 CYS 10 0.728 0.845 1.516 63 HB3 CYS 11 HB3 CYS 10 1.642 1.417 2.915 64 HA PRO 12 HA PRO 11 5.045 -0.769 -0.621 65 HB2 PRO 12 HB2 PRO 11 7.571 0.328 -0.420 66 HB3 PRO 12 HB3 PRO 11 6.499 0.542 -1.819 67 HG2 PRO 12 HG2 PRO 11 7.044 2.384 0.452 68 HG3 PRO 12 HG3 PRO 11 6.797 2.745 -1.267 69 HD2 PRO 12 HD2 PRO 11 4.855 3.132 0.593 70 HD3 PRO 12 HD3 PRO 11 4.492 2.689 -1.087 71 H TRP 13 H TRP 12 5.593 1.057 2.302 72 HA TRP 13 HA TRP 12 7.402 -0.728 3.565 73 HB2 TRP 13 HB2 TRP 12 6.641 0.421 5.662 74 HB3 TRP 13 HB3 TRP 12 7.188 1.524 4.398 75 HD1 TRP 13 HD1 TRP 12 3.982 0.187 6.021 76 HE1 TRP 13 HE1 TRP 12 2.073 1.856 5.562 77 HE3 TRP 13 HE3 TRP 12 6.387 3.441 2.910 78 HZ2 TRP 13 HZ2 TRP 12 1.630 4.265 4.085 79 HZ3 TRP 13 HZ3 TRP 12 5.205 5.420 2.003 80 HH2 TRP 13 HH2 TRP 12 2.831 5.837 2.585 81 H LEU 14 H LEU 13 4.077 -1.013 2.804 82 HA LEU 14 HA LEU 13 3.561 -2.809 5.032 83 HB2 LEU 14 HB2 LEU 13 1.910 -1.426 3.000 84 HB3 LEU 14 HB3 LEU 13 1.320 -2.997 3.561 85 HG LEU 14 HG LEU 13 2.219 -0.823 5.461 86 HD11 LEU 14 HD11 LEU 13 -0.193 -0.343 5.778 87 HD12 LEU 14 HD12 LEU 13 -0.566 -1.438 4.446 88 HD13 LEU 14 HD13 LEU 13 0.351 0.037 4.143 89 HD21 LEU 14 HD21 LEU 13 0.630 -2.199 6.972 90 HD22 LEU 14 HD22 LEU 13 2.174 -2.940 6.566 91 HD23 LEU 14 HD23 LEU 13 0.710 -3.437 5.719 92 HA PRO 15 HA PRO 14 5.150 -6.237 2.495 93 HB2 PRO 15 HB2 PRO 14 3.619 -7.764 4.568 94 HB3 PRO 15 HB3 PRO 14 5.279 -8.011 3.984 95 HG2 PRO 15 HG2 PRO 14 4.844 -6.891 6.332 96 HG3 PRO 15 HG3 PRO 14 6.128 -6.287 5.269 97 HD2 PRO 15 HD2 PRO 14 3.441 -5.098 5.848 98 HD3 PRO 15 HD3 PRO 14 4.996 -4.283 5.553 99 H GLY 16 H GLY 15 1.836 -6.109 3.741 100 HA2 GLY 16 HA2 GLY 15 0.676 -7.953 1.945 101 HA3 GLY 16 HA3 GLY 15 -0.191 -6.704 2.834 102 H CYS 17 H CYS 16 1.150 -4.456 1.771 103 HA CYS 17 HA CYS 16 -0.388 -3.910 -0.495 104 HB2 CYS 17 HB2 CYS 16 1.964 -2.593 0.808 105 HB3 CYS 17 HB3 CYS 16 1.481 -2.060 -0.798 106 HN1 NH2 18 HN1 NH2 102 -0.095 -4.401 -2.641 107 HN2 NH2 18 HN2 NH2 102 1.346 -5.007 -3.319 Start of MODEL 15 1 H1 ACE 1 H1 ACE 101 -8.494 -8.814 3.449 2 H2 ACE 1 H2 ACE 101 -7.410 -8.551 4.816 3 H3 ACE 1 H3 ACE 101 -7.257 -10.008 3.837 4 H GLY 2 H1 GLY 1 -8.006 -7.331 1.934 5 HA2 GLY 2 HA2 GLY 1 -5.407 -7.336 0.685 6 HA3 GLY 2 HA3 GLY 1 -6.787 -6.337 0.230 7 H CYS 3 H CYS 2 -4.409 -5.095 0.155 8 HA CYS 3 HA CYS 2 -3.641 -3.914 2.636 9 HB2 CYS 3 HB2 CYS 2 -2.463 -4.108 0.180 10 HB3 CYS 3 HB3 CYS 2 -2.999 -2.427 0.171 11 HA PRO 4 HA PRO 3 -6.892 -0.834 2.737 12 HB2 PRO 4 HB2 PRO 3 -5.798 0.946 4.498 13 HB3 PRO 4 HB3 PRO 3 -6.495 -0.609 4.995 14 HG2 PRO 4 HG2 PRO 3 -3.638 0.137 4.576 15 HG3 PRO 4 HG3 PRO 3 -4.373 -0.841 5.861 16 HD2 PRO 4 HD2 PRO 3 -3.083 -1.960 3.740 17 HD3 PRO 4 HD3 PRO 3 -4.451 -2.753 4.553 18 H CYS 5 H CYS 4 -3.634 -0.128 1.788 19 HA CYS 5 HA CYS 4 -4.169 2.597 0.952 20 HB2 CYS 5 HB2 CYS 4 -1.817 0.764 0.406 21 HB3 CYS 5 HB3 CYS 4 -1.891 2.474 -0.021 22 H GLU 6 H GLU 5 -4.746 3.293 -1.034 23 HA GLU 6 HA GLU 5 -4.698 1.408 -3.275 24 HB2 GLU 6 HB2 GLU 5 -7.073 2.318 -3.824 25 HB3 GLU 6 HB3 GLU 5 -6.898 1.015 -2.651 26 HG2 GLU 6 HG2 GLU 5 -7.012 2.615 -0.809 27 HG3 GLU 6 HG3 GLU 5 -7.081 3.957 -1.948 28 HA PRO 7 HA PRO 6 -3.817 1.437 -5.205 29 HB2 PRO 7 HB2 PRO 6 -1.351 2.164 -6.150 30 HB3 PRO 7 HB3 PRO 6 -2.848 2.379 -7.075 31 HG2 PRO 7 HG2 PRO 6 -1.348 4.374 -5.443 32 HG3 PRO 7 HG3 PRO 6 -2.074 4.548 -7.048 33 HD2 PRO 7 HD2 PRO 6 -3.311 5.493 -4.843 34 HD3 PRO 7 HD3 PRO 6 -4.229 4.796 -6.198 35 H SER 8 H SER 7 -2.495 -0.127 -4.304 36 HA SER 8 HA SER 7 -1.585 0.265 -1.664 37 HB2 SER 8 HB2 SER 7 -0.821 -2.011 -1.765 38 HB3 SER 8 HB3 SER 7 -2.325 -1.915 -2.678 39 HG SER 8 HG SER 7 -1.112 -1.834 -4.572 40 H TYR 9 H TYR 8 -0.003 0.740 -4.722 41 HA TYR 9 HA TYR 8 2.673 0.353 -3.950 42 HB2 TYR 9 HB2 TYR 8 3.168 1.096 -6.019 43 HB3 TYR 9 HB3 TYR 8 1.422 1.140 -6.275 44 HD1 TYR 9 HD1 TYR 8 4.444 3.107 -5.708 45 HD2 TYR 9 HD2 TYR 8 0.169 3.272 -5.995 46 HE1 TYR 9 HE1 TYR 8 4.557 5.570 -5.966 47 HE2 TYR 9 HE2 TYR 8 0.270 5.727 -6.254 48 HH TYR 9 HH TYR 8 2.892 7.375 -7.116 49 H LEU 10 H LEU 9 0.413 2.774 -3.032 50 HA LEU 10 HA LEU 9 2.200 4.905 -2.461 51 HB2 LEU 10 HB2 LEU 9 -0.545 4.198 -1.424 52 HB3 LEU 10 HB3 LEU 9 0.317 5.659 -0.944 53 HG LEU 10 HG LEU 9 -0.186 4.932 -3.834 54 HD11 LEU 10 HD11 LEU 9 -1.830 6.602 -1.914 55 HD12 LEU 10 HD12 LEU 9 -2.365 5.203 -2.846 56 HD13 LEU 10 HD13 LEU 9 -1.987 6.717 -3.665 57 HD21 LEU 10 HD21 LEU 9 1.584 6.523 -3.630 58 HD22 LEU 10 HD22 LEU 9 0.746 7.404 -2.356 59 HD23 LEU 10 HD23 LEU 9 0.151 7.475 -4.015 60 H CYS 11 H CYS 10 1.410 1.954 -0.823 61 HA CYS 11 HA CYS 10 3.019 2.849 1.497 62 HB2 CYS 11 HB2 CYS 10 0.776 0.812 1.528 63 HB3 CYS 11 HB3 CYS 10 1.672 1.423 2.918 64 HA PRO 12 HA PRO 11 4.999 -0.763 -0.690 65 HB2 PRO 12 HB2 PRO 11 7.534 0.298 -0.616 66 HB3 PRO 12 HB3 PRO 11 6.385 0.574 -1.940 67 HG2 PRO 12 HG2 PRO 11 7.079 2.337 0.358 68 HG3 PRO 12 HG3 PRO 11 6.776 2.756 -1.339 69 HD2 PRO 12 HD2 PRO 11 4.904 3.116 0.607 70 HD3 PRO 12 HD3 PRO 11 4.474 2.743 -1.072 71 H TRP 13 H TRP 12 5.591 1.035 2.226 72 HA TRP 13 HA TRP 12 7.451 -0.741 3.439 73 HB2 TRP 13 HB2 TRP 12 6.771 0.416 5.548 74 HB3 TRP 13 HB3 TRP 12 7.251 1.521 4.260 75 HD1 TRP 13 HD1 TRP 12 4.119 0.142 6.005 76 HE1 TRP 13 HE1 TRP 12 2.181 1.802 5.640 77 HE3 TRP 13 HE3 TRP 12 6.375 3.447 2.830 78 HZ2 TRP 13 HZ2 TRP 12 1.660 4.221 4.202 79 HZ3 TRP 13 HZ3 TRP 12 5.137 5.422 1.986 80 HH2 TRP 13 HH2 TRP 12 2.786 5.813 2.667 81 H LEU 14 H LEU 13 4.073 -0.963 2.851 82 HA LEU 14 HA LEU 13 3.588 -2.775 5.062 83 HB2 LEU 14 HB2 LEU 13 1.947 -1.364 3.047 84 HB3 LEU 14 HB3 LEU 13 1.334 -2.927 3.590 85 HG LEU 14 HG LEU 13 2.256 -0.801 5.533 86 HD11 LEU 14 HD11 LEU 13 -0.238 -0.368 5.820 87 HD12 LEU 14 HD12 LEU 13 -0.481 -1.247 4.311 88 HD13 LEU 14 HD13 LEU 13 0.463 0.242 4.322 89 HD21 LEU 14 HD21 LEU 13 0.249 -3.043 5.911 90 HD22 LEU 14 HD22 LEU 13 1.079 -2.109 7.154 91 HD23 LEU 14 HD23 LEU 13 1.972 -3.279 6.188 92 HA PRO 15 HA PRO 14 5.089 -6.236 2.499 93 HB2 PRO 15 HB2 PRO 14 3.543 -7.731 4.591 94 HB3 PRO 15 HB3 PRO 14 5.179 -8.038 3.969 95 HG2 PRO 15 HG2 PRO 14 4.873 -6.922 6.324 96 HG3 PRO 15 HG3 PRO 14 6.108 -6.305 5.209 97 HD2 PRO 15 HD2 PRO 14 3.423 -5.133 5.878 98 HD3 PRO 15 HD3 PRO 14 4.975 -4.309 5.596 99 H GLY 16 H GLY 15 1.794 -6.092 3.793 100 HA2 GLY 16 HA2 GLY 15 0.590 -7.904 2.002 101 HA3 GLY 16 HA3 GLY 15 -0.252 -6.645 2.901 102 H CYS 17 H CYS 16 1.127 -4.408 1.818 103 HA CYS 17 HA CYS 16 -0.428 -3.871 -0.457 104 HB2 CYS 17 HB2 CYS 16 1.878 -2.552 0.892 105 HB3 CYS 17 HB3 CYS 16 1.477 -2.038 -0.745 106 HN1 NH2 18 HN1 NH2 102 -0.158 -4.557 -2.557 107 HN2 NH2 18 HN2 NH2 102 1.313 -5.071 -3.242 Start of MODEL 16 1 H1 ACE 1 H1 ACE 101 -6.900 -8.602 4.776 2 H2 ACE 1 H2 ACE 101 -6.034 -10.012 4.166 3 H3 ACE 1 H3 ACE 101 -7.566 -9.532 3.434 4 H GLY 2 H1 GLY 1 -7.630 -7.681 2.087 5 HA2 GLY 2 HA2 GLY 1 -5.261 -7.244 0.545 6 HA3 GLY 2 HA3 GLY 1 -6.801 -6.416 0.338 7 H CYS 3 H CYS 2 -4.174 -5.239 0.190 8 HA CYS 3 HA CYS 2 -3.505 -3.926 2.578 9 HB2 CYS 3 HB2 CYS 2 -2.265 -4.188 0.200 10 HB3 CYS 3 HB3 CYS 2 -2.873 -2.538 0.047 11 HA PRO 4 HA PRO 3 -6.835 -0.917 2.594 12 HB2 PRO 4 HB2 PRO 3 -5.784 0.830 4.420 13 HB3 PRO 4 HB3 PRO 3 -6.505 -0.729 4.863 14 HG2 PRO 4 HG2 PRO 3 -3.633 0.005 4.553 15 HG3 PRO 4 HG3 PRO 3 -4.416 -1.003 5.783 16 HD2 PRO 4 HD2 PRO 3 -3.065 -2.052 3.684 17 HD3 PRO 4 HD3 PRO 3 -4.460 -2.865 4.431 18 H CYS 5 H CYS 4 -3.570 -0.194 1.712 19 HA CYS 5 HA CYS 4 -4.082 2.551 0.948 20 HB2 CYS 5 HB2 CYS 4 -1.735 0.706 0.456 21 HB3 CYS 5 HB3 CYS 4 -1.781 2.406 -0.018 22 H GLU 6 H GLU 5 -4.860 3.234 -0.943 23 HA GLU 6 HA GLU 5 -4.677 1.428 -3.238 24 HB2 GLU 6 HB2 GLU 5 -6.889 1.160 -2.199 25 HB3 GLU 6 HB3 GLU 5 -7.217 2.865 -2.508 26 HG2 GLU 6 HG2 GLU 5 -6.315 1.031 -4.739 27 HG3 GLU 6 HG3 GLU 5 -8.012 1.107 -4.273 28 HA PRO 7 HA PRO 6 -3.873 1.514 -5.170 29 HB2 PRO 7 HB2 PRO 6 -1.384 2.254 -6.037 30 HB3 PRO 7 HB3 PRO 6 -2.858 2.396 -7.009 31 HG2 PRO 7 HG2 PRO 6 -1.426 4.489 -5.457 32 HG3 PRO 7 HG3 PRO 6 -2.213 4.595 -7.035 33 HD2 PRO 7 HD2 PRO 6 -3.358 5.549 -4.775 34 HD3 PRO 7 HD3 PRO 6 -4.320 4.871 -6.109 35 H SER 8 H SER 7 -2.392 -0.061 -4.403 36 HA SER 8 HA SER 7 -1.590 0.275 -1.697 37 HB2 SER 8 HB2 SER 7 -0.774 -1.992 -1.854 38 HB3 SER 8 HB3 SER 7 -2.291 -1.893 -2.741 39 HG SER 8 HG SER 7 0.105 -2.624 -3.614 40 H TYR 9 H TYR 8 -0.016 0.788 -4.735 41 HA TYR 9 HA TYR 8 2.669 0.464 -4.016 42 HB2 TYR 9 HB2 TYR 8 3.065 1.228 -6.099 43 HB3 TYR 9 HB3 TYR 8 1.310 1.293 -6.278 44 HD1 TYR 9 HD1 TYR 8 4.362 3.239 -5.750 45 HD2 TYR 9 HD2 TYR 8 0.092 3.402 -5.939 46 HE1 TYR 9 HE1 TYR 8 4.469 5.707 -5.944 47 HE2 TYR 9 HE2 TYR 8 0.175 5.860 -6.135 48 HH TYR 9 HH TYR 8 2.749 7.541 -7.022 49 H LEU 10 H LEU 9 0.367 2.798 -2.986 50 HA LEU 10 HA LEU 9 2.128 4.946 -2.416 51 HB2 LEU 10 HB2 LEU 9 -0.597 4.185 -1.356 52 HB3 LEU 10 HB3 LEU 9 0.245 5.660 -0.879 53 HG LEU 10 HG LEU 9 -0.307 4.929 -3.765 54 HD11 LEU 10 HD11 LEU 9 -2.085 6.735 -3.561 55 HD12 LEU 10 HD12 LEU 9 -1.894 6.615 -1.812 56 HD13 LEU 10 HD13 LEU 9 -2.460 5.223 -2.736 57 HD21 LEU 10 HD21 LEU 9 0.700 7.390 -2.316 58 HD22 LEU 10 HD22 LEU 9 0.038 7.483 -3.948 59 HD23 LEU 10 HD23 LEU 9 1.473 6.509 -3.632 60 H CYS 11 H CYS 10 1.344 1.970 -0.806 61 HA CYS 11 HA CYS 10 3.030 2.811 1.473 62 HB2 CYS 11 HB2 CYS 10 0.769 0.806 1.564 63 HB3 CYS 11 HB3 CYS 10 1.703 1.419 2.927 64 HA PRO 12 HA PRO 11 4.933 -0.818 -0.752 65 HB2 PRO 12 HB2 PRO 11 7.480 0.200 -0.673 66 HB3 PRO 12 HB3 PRO 11 6.332 0.522 -1.989 67 HG2 PRO 12 HG2 PRO 11 7.054 2.223 0.348 68 HG3 PRO 12 HG3 PRO 11 6.775 2.684 -1.339 69 HD2 PRO 12 HD2 PRO 11 4.900 3.050 0.587 70 HD3 PRO 12 HD3 PRO 11 4.469 2.693 -1.098 71 H TRP 13 H TRP 12 5.706 0.969 2.164 72 HA TRP 13 HA TRP 12 7.515 -0.893 3.305 73 HB2 TRP 13 HB2 TRP 12 7.004 0.273 5.428 74 HB3 TRP 13 HB3 TRP 12 7.363 1.402 4.121 75 HD1 TRP 13 HD1 TRP 12 4.427 -0.020 6.127 76 HE1 TRP 13 HE1 TRP 12 2.431 1.597 5.921 77 HE3 TRP 13 HE3 TRP 12 6.323 3.294 2.742 78 HZ2 TRP 13 HZ2 TRP 12 1.736 3.992 4.520 79 HZ3 TRP 13 HZ3 TRP 12 4.979 5.238 1.995 80 HH2 TRP 13 HH2 TRP 12 2.687 5.591 2.877 81 H LEU 14 H LEU 13 4.085 -0.888 2.896 82 HA LEU 14 HA LEU 13 3.571 -2.671 5.078 83 HB2 LEU 14 HB2 LEU 13 1.966 -1.286 3.040 84 HB3 LEU 14 HB3 LEU 13 1.328 -2.835 3.594 85 HG LEU 14 HG LEU 13 2.286 -0.704 5.516 86 HD11 LEU 14 HD11 LEU 13 0.013 0.045 5.747 87 HD12 LEU 14 HD12 LEU 13 -0.576 -1.234 4.684 88 HD13 LEU 14 HD13 LEU 13 0.395 0.083 4.026 89 HD21 LEU 14 HD21 LEU 13 0.638 -3.239 5.735 90 HD22 LEU 14 HD22 LEU 13 0.656 -2.019 7.010 91 HD23 LEU 14 HD23 LEU 13 2.144 -2.854 6.568 92 HA PRO 15 HA PRO 14 4.988 -6.269 2.693 93 HB2 PRO 15 HB2 PRO 14 3.369 -7.662 4.785 94 HB3 PRO 15 HB3 PRO 14 5.040 -7.960 4.267 95 HG2 PRO 15 HG2 PRO 14 4.517 -6.738 6.560 96 HG3 PRO 15 HG3 PRO 14 5.886 -6.245 5.550 97 HD2 PRO 15 HD2 PRO 14 3.258 -4.905 5.957 98 HD3 PRO 15 HD3 PRO 14 4.866 -4.202 5.674 99 H GLY 16 H GLY 15 1.657 -5.945 3.883 100 HA2 GLY 16 HA2 GLY 15 0.449 -7.813 2.145 101 HA3 GLY 16 HA3 GLY 15 -0.379 -6.482 2.953 102 H CYS 17 H CYS 16 1.122 -4.357 1.825 103 HA CYS 17 HA CYS 16 -0.326 -3.877 -0.538 104 HB2 CYS 17 HB2 CYS 16 1.950 -2.545 0.861 105 HB3 CYS 17 HB3 CYS 16 1.602 -2.075 -0.800 106 HN1 NH2 18 HN1 NH2 102 0.036 -4.668 -2.586 107 HN2 NH2 18 HN2 NH2 102 1.529 -5.233 -3.173 Start of MODEL 17 1 H1 ACE 1 H1 ACE 101 -10.366 -5.793 2.220 2 H2 ACE 1 H2 ACE 101 -9.648 -7.352 2.623 3 H3 ACE 1 H3 ACE 101 -10.508 -7.146 1.098 4 H GLY 2 H1 GLY 1 -7.545 -7.609 2.182 5 HA2 GLY 2 HA2 GLY 1 -5.518 -7.433 1.064 6 HA3 GLY 2 HA3 GLY 1 -6.296 -6.397 -0.127 7 H CYS 3 H CYS 2 -4.141 -5.264 0.185 8 HA CYS 3 HA CYS 2 -3.489 -3.944 2.552 9 HB2 CYS 3 HB2 CYS 2 -2.278 -4.174 0.160 10 HB3 CYS 3 HB3 CYS 2 -2.882 -2.519 0.031 11 HA PRO 4 HA PRO 3 -6.802 -0.910 2.689 12 HB2 PRO 4 HB2 PRO 3 -5.693 0.862 4.466 13 HB3 PRO 4 HB3 PRO 3 -6.435 -0.677 4.944 14 HG2 PRO 4 HG2 PRO 3 -3.555 0.001 4.577 15 HG3 PRO 4 HG3 PRO 3 -4.336 -0.972 5.839 16 HD2 PRO 4 HD2 PRO 3 -3.031 -2.116 3.746 17 HD3 PRO 4 HD3 PRO 3 -4.457 -2.870 4.498 18 H CYS 5 H CYS 4 -3.564 -0.178 1.731 19 HA CYS 5 HA CYS 4 -4.134 2.557 0.952 20 HB2 CYS 5 HB2 CYS 4 -1.743 0.768 0.470 21 HB3 CYS 5 HB3 CYS 4 -1.833 2.465 -0.012 22 H GLU 6 H GLU 5 -4.919 3.198 -0.955 23 HA GLU 6 HA GLU 5 -4.692 1.388 -3.256 24 HB2 GLU 6 HB2 GLU 5 -6.922 1.043 -2.344 25 HB3 GLU 6 HB3 GLU 5 -7.231 2.779 -2.416 26 HG2 GLU 6 HG2 GLU 5 -6.962 2.767 -4.832 27 HG3 GLU 6 HG3 GLU 5 -6.530 1.058 -4.808 28 HA PRO 7 HA PRO 6 -3.822 1.482 -5.195 29 HB2 PRO 7 HB2 PRO 6 -1.367 2.272 -6.094 30 HB3 PRO 7 HB3 PRO 6 -2.857 2.483 -7.035 31 HG2 PRO 7 HG2 PRO 6 -1.414 4.466 -5.339 32 HG3 PRO 7 HG3 PRO 6 -2.129 4.673 -6.942 33 HD2 PRO 7 HD2 PRO 6 -3.391 5.526 -4.721 34 HD3 PRO 7 HD3 PRO 6 -4.286 4.855 -6.104 35 H SER 8 H SER 7 -2.369 -0.061 -4.394 36 HA SER 8 HA SER 7 -1.521 0.272 -1.713 37 HB2 SER 8 HB2 SER 7 -0.679 -1.984 -1.901 38 HB3 SER 8 HB3 SER 7 -2.209 -1.892 -2.767 39 HG SER 8 HG SER 7 0.291 -2.435 -3.678 40 H TYR 9 H TYR 8 0.031 0.880 -4.747 41 HA TYR 9 HA TYR 8 2.721 0.545 -4.009 42 HB2 TYR 9 HB2 TYR 8 3.165 1.350 -6.070 43 HB3 TYR 9 HB3 TYR 8 1.414 1.353 -6.294 44 HD1 TYR 9 HD1 TYR 8 4.388 3.403 -5.698 45 HD2 TYR 9 HD2 TYR 8 0.110 3.423 -5.968 46 HE1 TYR 9 HE1 TYR 8 4.410 5.877 -5.888 47 HE2 TYR 9 HE2 TYR 8 0.121 5.887 -6.158 48 HH TYR 9 HH TYR 8 1.564 7.680 -6.723 49 H LEU 10 H LEU 9 0.398 2.858 -2.983 50 HA LEU 10 HA LEU 9 2.149 5.016 -2.359 51 HB2 LEU 10 HB2 LEU 9 -0.583 4.237 -1.320 52 HB3 LEU 10 HB3 LEU 9 0.258 5.710 -0.837 53 HG LEU 10 HG LEU 9 -0.276 4.994 -3.722 54 HD11 LEU 10 HD11 LEU 9 -2.436 5.242 -2.681 55 HD12 LEU 10 HD12 LEU 9 -2.094 6.748 -3.532 56 HD13 LEU 10 HD13 LEU 9 -1.898 6.660 -1.781 57 HD21 LEU 10 HD21 LEU 9 0.036 7.540 -3.905 58 HD22 LEU 10 HD22 LEU 9 1.483 6.599 -3.551 59 HD23 LEU 10 HD23 LEU 9 0.661 7.470 -2.256 60 H CYS 11 H CYS 10 1.346 2.012 -0.821 61 HA CYS 11 HA CYS 10 2.998 2.794 1.502 62 HB2 CYS 11 HB2 CYS 10 0.689 0.839 1.488 63 HB3 CYS 11 HB3 CYS 10 1.629 1.345 2.891 64 HA PRO 12 HA PRO 11 4.862 -0.822 -0.809 65 HB2 PRO 12 HB2 PRO 11 7.413 0.171 -0.773 66 HB3 PRO 12 HB3 PRO 11 6.236 0.550 -2.049 67 HG2 PRO 12 HG2 PRO 11 7.014 2.158 0.341 68 HG3 PRO 12 HG3 PRO 11 6.753 2.683 -1.332 69 HD2 PRO 12 HD2 PRO 11 4.865 3.033 0.580 70 HD3 PRO 12 HD3 PRO 11 4.439 2.697 -1.104 71 H TRP 13 H TRP 12 5.678 0.949 2.091 72 HA TRP 13 HA TRP 12 7.479 -0.935 3.212 73 HB2 TRP 13 HB2 TRP 12 7.026 0.230 5.339 74 HB3 TRP 13 HB3 TRP 12 7.364 1.371 4.038 75 HD1 TRP 13 HD1 TRP 12 4.463 -0.060 6.096 76 HE1 TRP 13 HE1 TRP 12 2.466 1.562 5.947 77 HE3 TRP 13 HE3 TRP 12 6.293 3.283 2.699 78 HZ2 TRP 13 HZ2 TRP 12 1.742 3.967 4.578 79 HZ3 TRP 13 HZ3 TRP 12 4.935 5.233 1.997 80 HH2 TRP 13 HH2 TRP 12 2.663 5.581 2.931 81 H LEU 14 H LEU 13 4.031 -0.876 2.855 82 HA LEU 14 HA LEU 13 3.541 -2.641 5.063 83 HB2 LEU 14 HB2 LEU 13 1.912 -1.313 3.001 84 HB3 LEU 14 HB3 LEU 13 1.279 -2.844 3.606 85 HG LEU 14 HG LEU 13 2.227 -0.628 5.436 86 HD11 LEU 14 HD11 LEU 13 -0.623 -1.249 4.617 87 HD12 LEU 14 HD12 LEU 13 0.317 0.097 3.970 88 HD13 LEU 14 HD13 LEU 13 -0.082 0.046 5.687 89 HD21 LEU 14 HD21 LEU 13 0.645 -3.187 5.780 90 HD22 LEU 14 HD22 LEU 13 0.637 -1.912 6.998 91 HD23 LEU 14 HD23 LEU 13 2.145 -2.724 6.583 92 HA PRO 15 HA PRO 14 4.988 -6.296 2.805 93 HB2 PRO 15 HB2 PRO 14 3.291 -7.622 4.890 94 HB3 PRO 15 HB3 PRO 14 4.951 -7.998 4.379 95 HG2 PRO 15 HG2 PRO 14 4.519 -6.739 6.652 96 HG3 PRO 15 HG3 PRO 14 5.859 -6.249 5.596 97 HD2 PRO 15 HD2 PRO 14 3.208 -4.902 6.022 98 HD3 PRO 15 HD3 PRO 14 4.812 -4.181 5.757 99 H GLY 16 H GLY 15 1.630 -5.977 3.909 100 HA2 GLY 16 HA2 GLY 15 0.471 -7.850 2.145 101 HA3 GLY 16 HA3 GLY 15 -0.381 -6.531 2.943 102 H CYS 17 H CYS 16 1.110 -4.383 1.842 103 HA CYS 17 HA CYS 16 -0.312 -3.904 -0.532 104 HB2 CYS 17 HB2 CYS 16 1.959 -2.585 0.881 105 HB3 CYS 17 HB3 CYS 16 1.643 -2.123 -0.789 106 HN1 NH2 18 HN1 NH2 102 0.044 -4.712 -2.572 107 HN2 NH2 18 HN2 NH2 102 1.538 -5.274 -3.160 Start of MODEL 18 1 H1 ACE 1 H1 ACE 101 -9.028 -9.215 2.758 2 H2 ACE 1 H2 ACE 101 -7.686 -9.093 3.896 3 H3 ACE 1 H3 ACE 101 -7.841 -10.515 2.864 4 H GLY 2 H1 GLY 1 -6.911 -7.148 3.015 5 HA2 GLY 2 HA2 GLY 1 -5.059 -7.426 0.864 6 HA3 GLY 2 HA3 GLY 1 -6.479 -6.518 0.349 7 H CYS 3 H CYS 2 -4.169 -5.200 0.215 8 HA CYS 3 HA CYS 2 -3.457 -3.892 2.638 9 HB2 CYS 3 HB2 CYS 2 -2.239 -4.146 0.219 10 HB3 CYS 3 HB3 CYS 2 -2.850 -2.491 0.115 11 HA PRO 4 HA PRO 3 -6.821 -0.905 2.605 12 HB2 PRO 4 HB2 PRO 3 -5.819 0.873 4.423 13 HB3 PRO 4 HB3 PRO 3 -6.496 -0.705 4.879 14 HG2 PRO 4 HG2 PRO 3 -3.646 0.105 4.546 15 HG3 PRO 4 HG3 PRO 3 -4.395 -0.897 5.802 16 HD2 PRO 4 HD2 PRO 3 -3.028 -1.964 3.715 17 HD3 PRO 4 HD3 PRO 3 -4.398 -2.794 4.483 18 H CYS 5 H CYS 4 -3.581 -0.179 1.674 19 HA CYS 5 HA CYS 4 -4.114 2.568 0.912 20 HB2 CYS 5 HB2 CYS 4 -1.748 0.738 0.415 21 HB3 CYS 5 HB3 CYS 4 -1.804 2.440 -0.053 22 H GLU 6 H GLU 5 -4.929 3.228 -0.945 23 HA GLU 6 HA GLU 5 -4.736 1.426 -3.252 24 HB2 GLU 6 HB2 GLU 5 -7.237 2.858 -2.367 25 HB3 GLU 6 HB3 GLU 5 -7.034 1.972 -3.881 26 HG2 GLU 6 HG2 GLU 5 -6.482 -0.067 -2.649 27 HG3 GLU 6 HG3 GLU 5 -6.664 0.792 -1.121 28 HA PRO 7 HA PRO 6 -3.877 1.470 -5.155 29 HB2 PRO 7 HB2 PRO 6 -1.392 2.188 -6.075 30 HB3 PRO 7 HB3 PRO 6 -2.876 2.393 -7.020 31 HG2 PRO 7 HG2 PRO 6 -1.394 4.403 -5.396 32 HG3 PRO 7 HG3 PRO 6 -2.113 4.572 -7.005 33 HD2 PRO 7 HD2 PRO 6 -3.351 5.521 -4.797 34 HD3 PRO 7 HD3 PRO 6 -4.273 4.832 -6.153 35 H SER 8 H SER 7 -2.427 -0.086 -4.350 36 HA SER 8 HA SER 7 -1.597 0.285 -1.655 37 HB2 SER 8 HB2 SER 7 -0.848 -1.986 -1.766 38 HB3 SER 8 HB3 SER 7 -2.331 -1.878 -2.708 39 HG SER 8 HG SER 7 -1.189 -2.587 -4.305 40 H TYR 9 H TYR 8 -0.024 0.761 -4.700 41 HA TYR 9 HA TYR 8 2.658 0.398 -3.960 42 HB2 TYR 9 HB2 TYR 8 3.090 1.141 -6.047 43 HB3 TYR 9 HB3 TYR 8 1.338 1.188 -6.252 44 HD1 TYR 9 HD1 TYR 8 4.372 3.166 -5.711 45 HD2 TYR 9 HD2 TYR 8 0.100 3.298 -5.989 46 HE1 TYR 9 HE1 TYR 8 4.465 5.630 -5.960 47 HE2 TYR 9 HE2 TYR 8 0.177 5.755 -6.237 48 HH TYR 9 HH TYR 8 1.647 7.504 -6.804 49 H LEU 10 H LEU 9 0.377 2.789 -2.994 50 HA LEU 10 HA LEU 9 2.145 4.937 -2.449 51 HB2 LEU 10 HB2 LEU 9 -0.554 4.174 -1.334 52 HB3 LEU 10 HB3 LEU 9 0.287 5.660 -0.892 53 HG LEU 10 HG LEU 9 -0.286 4.888 -3.757 54 HD11 LEU 10 HD11 LEU 9 -2.098 6.694 -3.530 55 HD12 LEU 10 HD12 LEU 9 -1.920 6.501 -1.786 56 HD13 LEU 10 HD13 LEU 9 -2.450 5.140 -2.774 57 HD21 LEU 10 HD21 LEU 9 0.002 7.422 -3.998 58 HD22 LEU 10 HD22 LEU 9 1.464 6.514 -3.621 59 HD23 LEU 10 HD23 LEU 9 0.629 7.406 -2.349 60 H CYS 11 H CYS 10 1.324 1.993 -0.772 61 HA CYS 11 HA CYS 10 3.043 2.847 1.482 62 HB2 CYS 11 HB2 CYS 10 0.794 0.833 1.586 63 HB3 CYS 11 HB3 CYS 10 1.708 1.478 2.946 64 HA PRO 12 HA PRO 11 4.947 -0.797 -0.734 65 HB2 PRO 12 HB2 PRO 11 7.495 0.218 -0.662 66 HB3 PRO 12 HB3 PRO 11 6.345 0.542 -1.974 67 HG2 PRO 12 HG2 PRO 11 7.071 2.239 0.368 68 HG3 PRO 12 HG3 PRO 11 6.797 2.703 -1.324 69 HD2 PRO 12 HD2 PRO 11 4.917 3.075 0.599 70 HD3 PRO 12 HD3 PRO 11 4.491 2.715 -1.085 71 H TRP 13 H TRP 12 5.673 0.981 2.183 72 HA TRP 13 HA TRP 12 7.494 -0.875 3.331 73 HB2 TRP 13 HB2 TRP 12 6.963 0.294 5.454 74 HB3 TRP 13 HB3 TRP 12 7.344 1.420 4.151 75 HD1 TRP 13 HD1 TRP 12 4.376 0.010 6.119 76 HE1 TRP 13 HE1 TRP 12 2.392 1.642 5.893 77 HE3 TRP 13 HE3 TRP 12 6.338 3.326 2.770 78 HZ2 TRP 13 HZ2 TRP 12 1.731 4.047 4.492 79 HZ3 TRP 13 HZ3 TRP 12 5.017 5.284 2.016 80 HH2 TRP 13 HH2 TRP 12 2.717 5.646 2.871 81 H LEU 14 H LEU 13 4.070 -0.900 2.863 82 HA LEU 14 HA LEU 13 3.573 -2.677 5.078 83 HB2 LEU 14 HB2 LEU 13 1.937 -1.265 3.075 84 HB3 LEU 14 HB3 LEU 13 1.307 -2.831 3.602 85 HG LEU 14 HG LEU 13 2.272 -0.728 5.553 86 HD11 LEU 14 HD11 LEU 13 0.432 0.250 4.318 87 HD12 LEU 14 HD12 LEU 13 -0.164 -0.255 5.899 88 HD13 LEU 14 HD13 LEU 13 -0.511 -1.233 4.474 89 HD21 LEU 14 HD21 LEU 13 2.177 -2.874 6.602 90 HD22 LEU 14 HD22 LEU 13 0.695 -3.308 5.753 91 HD23 LEU 14 HD23 LEU 13 0.654 -2.100 7.038 92 HA PRO 15 HA PRO 14 4.982 -6.287 2.717 93 HB2 PRO 15 HB2 PRO 14 3.286 -7.659 4.764 94 HB3 PRO 15 HB3 PRO 14 4.958 -7.999 4.273 95 HG2 PRO 15 HG2 PRO 14 4.418 -6.769 6.562 96 HG3 PRO 15 HG3 PRO 14 5.826 -6.318 5.586 97 HD2 PRO 15 HD2 PRO 14 3.244 -4.882 5.963 98 HD3 PRO 15 HD3 PRO 14 4.872 -4.230 5.674 99 H GLY 16 H GLY 15 1.619 -6.003 3.830 100 HA2 GLY 16 HA2 GLY 15 0.478 -7.846 2.021 101 HA3 GLY 16 HA3 GLY 15 -0.389 -6.555 2.847 102 H CYS 17 H CYS 16 1.098 -4.378 1.798 103 HA CYS 17 HA CYS 16 -0.322 -3.836 -0.554 104 HB2 CYS 17 HB2 CYS 16 1.978 -2.557 0.860 105 HB3 CYS 17 HB3 CYS 16 1.617 -2.042 -0.785 106 HN1 NH2 18 HN1 NH2 102 0.051 -4.455 -2.654 107 HN2 NH2 18 HN2 NH2 102 1.519 -5.081 -3.247 Start of MODEL 19 1 H1 ACE 1 H1 ACE 101 -9.241 -7.201 3.883 2 H2 ACE 1 H2 ACE 101 -9.216 -8.599 2.808 3 H3 ACE 1 H3 ACE 101 -10.425 -7.335 2.582 4 H GLY 2 H1 GLY 1 -6.966 -8.048 2.408 5 HA2 GLY 2 HA2 GLY 1 -5.453 -7.381 0.760 6 HA3 GLY 2 HA3 GLY 1 -6.687 -6.316 0.093 7 H CYS 3 H CYS 2 -4.433 -5.070 0.083 8 HA CYS 3 HA CYS 2 -3.638 -3.906 2.564 9 HB2 CYS 3 HB2 CYS 2 -2.470 -4.115 0.113 10 HB3 CYS 3 HB3 CYS 2 -2.989 -2.427 0.101 11 HA PRO 4 HA PRO 3 -6.853 -0.776 2.689 12 HB2 PRO 4 HB2 PRO 3 -5.727 0.974 4.461 13 HB3 PRO 4 HB3 PRO 3 -6.469 -0.562 4.947 14 HG2 PRO 4 HG2 PRO 3 -3.591 0.111 4.560 15 HG3 PRO 4 HG3 PRO 3 -4.364 -0.858 5.829 16 HD2 PRO 4 HD2 PRO 3 -3.078 -1.999 3.717 17 HD3 PRO 4 HD3 PRO 3 -4.480 -2.758 4.507 18 H CYS 5 H CYS 4 -3.612 -0.160 1.677 19 HA CYS 5 HA CYS 4 -4.102 2.603 0.916 20 HB2 CYS 5 HB2 CYS 4 -1.766 0.748 0.393 21 HB3 CYS 5 HB3 CYS 4 -1.810 2.462 -0.029 22 H GLU 6 H GLU 5 -4.945 3.227 -0.981 23 HA GLU 6 HA GLU 5 -4.760 1.387 -3.276 24 HB2 GLU 6 HB2 GLU 5 -6.995 1.152 -2.318 25 HB3 GLU 6 HB3 GLU 5 -7.232 2.899 -2.428 26 HG2 GLU 6 HG2 GLU 5 -7.039 2.842 -4.836 27 HG3 GLU 6 HG3 GLU 5 -6.606 1.134 -4.803 28 HA PRO 7 HA PRO 6 -3.863 1.425 -5.200 29 HB2 PRO 7 HB2 PRO 6 -1.381 2.168 -6.118 30 HB3 PRO 7 HB3 PRO 6 -2.866 2.363 -7.064 31 HG2 PRO 7 HG2 PRO 6 -1.404 4.381 -5.430 32 HG3 PRO 7 HG3 PRO 6 -2.129 4.547 -7.036 33 HD2 PRO 7 HD2 PRO 6 -3.373 5.477 -4.827 34 HD3 PRO 7 HD3 PRO 6 -4.287 4.782 -6.186 35 H SER 8 H SER 7 -2.470 -0.128 -4.340 36 HA SER 8 HA SER 7 -1.607 0.257 -1.673 37 HB2 SER 8 HB2 SER 7 -0.848 -2.018 -1.783 38 HB3 SER 8 HB3 SER 7 -2.335 -1.917 -2.718 39 HG SER 8 HG SER 7 0.159 -2.579 -3.507 40 H TYR 9 H TYR 8 -0.025 0.765 -4.711 41 HA TYR 9 HA TYR 8 2.649 0.378 -3.938 42 HB2 TYR 9 HB2 TYR 8 3.138 1.138 -6.004 43 HB3 TYR 9 HB3 TYR 8 1.391 1.166 -6.255 44 HD1 TYR 9 HD1 TYR 8 4.392 3.174 -5.674 45 HD2 TYR 9 HD2 TYR 8 0.119 3.270 -5.980 46 HE1 TYR 9 HE1 TYR 8 4.465 5.641 -5.922 47 HE2 TYR 9 HE2 TYR 8 0.180 5.726 -6.230 48 HH TYR 9 HH TYR 8 3.160 7.445 -6.716 49 H LEU 10 H LEU 9 0.375 2.772 -2.988 50 HA LEU 10 HA LEU 9 2.146 4.913 -2.411 51 HB2 LEU 10 HB2 LEU 9 -0.587 4.190 -1.342 52 HB3 LEU 10 HB3 LEU 9 0.268 5.667 -0.901 53 HG LEU 10 HG LEU 9 -0.275 4.883 -3.770 54 HD11 LEU 10 HD11 LEU 9 -1.908 6.550 -1.842 55 HD12 LEU 10 HD12 LEU 9 -2.444 5.172 -2.803 56 HD13 LEU 10 HD13 LEU 9 -2.063 6.702 -3.592 57 HD21 LEU 10 HD21 LEU 9 0.058 7.416 -4.012 58 HD22 LEU 10 HD22 LEU 9 1.499 6.482 -3.618 59 HD23 LEU 10 HD23 LEU 9 0.664 7.392 -2.358 60 H CYS 11 H CYS 10 1.423 1.928 -0.801 61 HA CYS 11 HA CYS 10 3.026 2.827 1.525 62 HB2 CYS 11 HB2 CYS 10 0.783 0.791 1.539 63 HB3 CYS 11 HB3 CYS 10 1.687 1.373 2.939 64 HA PRO 12 HA PRO 11 5.033 -0.786 -0.672 65 HB2 PRO 12 HB2 PRO 11 7.560 0.287 -0.604 66 HB3 PRO 12 HB3 PRO 11 6.406 0.570 -1.926 67 HG2 PRO 12 HG2 PRO 11 7.080 2.309 0.401 68 HG3 PRO 12 HG3 PRO 11 6.810 2.747 -1.298 69 HD2 PRO 12 HD2 PRO 11 4.897 3.101 0.594 70 HD3 PRO 12 HD3 PRO 11 4.497 2.696 -1.083 71 H TRP 13 H TRP 12 5.638 1.032 2.238 72 HA TRP 13 HA TRP 12 7.489 -0.776 3.429 73 HB2 TRP 13 HB2 TRP 12 6.869 0.383 5.550 74 HB3 TRP 13 HB3 TRP 12 7.346 1.491 4.264 75 HD1 TRP 13 HD1 TRP 12 4.245 0.179 6.096 76 HE1 TRP 13 HE1 TRP 12 2.315 1.853 5.748 77 HE3 TRP 13 HE3 TRP 12 6.450 3.398 2.800 78 HZ2 TRP 13 HZ2 TRP 12 1.780 4.245 4.273 79 HZ3 TRP 13 HZ3 TRP 12 5.210 5.367 1.946 80 HH2 TRP 13 HH2 TRP 12 2.880 5.794 2.677 81 H LEU 14 H LEU 13 4.128 -0.987 2.809 82 HA LEU 14 HA LEU 13 3.641 -2.765 5.054 83 HB2 LEU 14 HB2 LEU 13 1.978 -1.336 3.063 84 HB3 LEU 14 HB3 LEU 13 1.357 -2.892 3.627 85 HG LEU 14 HG LEU 13 2.326 -0.730 5.514 86 HD11 LEU 14 HD11 LEU 13 0.395 0.057 4.140 87 HD12 LEU 14 HD12 LEU 13 -0.022 -0.136 5.842 88 HD13 LEU 14 HD13 LEU 13 -0.519 -1.354 4.669 89 HD21 LEU 14 HD21 LEU 13 2.288 -2.846 6.613 90 HD22 LEU 14 HD22 LEU 13 0.802 -3.331 5.798 91 HD23 LEU 14 HD23 LEU 13 0.756 -2.094 7.053 92 HA PRO 15 HA PRO 14 5.081 -6.248 2.502 93 HB2 PRO 15 HB2 PRO 14 3.549 -7.726 4.610 94 HB3 PRO 15 HB3 PRO 14 5.180 -8.037 3.981 95 HG2 PRO 15 HG2 PRO 14 4.870 -6.913 6.337 96 HG3 PRO 15 HG3 PRO 14 6.124 -6.328 5.226 97 HD2 PRO 15 HD2 PRO 14 3.471 -5.092 5.895 98 HD3 PRO 15 HD3 PRO 14 5.034 -4.306 5.575 99 H GLY 16 H GLY 15 1.797 -6.057 3.821 100 HA2 GLY 16 HA2 GLY 15 0.555 -7.888 2.079 101 HA3 GLY 16 HA3 GLY 15 -0.261 -6.596 2.952 102 H CYS 17 H CYS 16 1.125 -4.406 1.809 103 HA CYS 17 HA CYS 16 -0.440 -3.902 -0.467 104 HB2 CYS 17 HB2 CYS 16 1.893 -2.573 0.838 105 HB3 CYS 17 HB3 CYS 16 1.467 -2.081 -0.800 106 HN1 NH2 18 HN1 NH2 102 -0.187 -4.634 -2.551 107 HN2 NH2 18 HN2 NH2 102 1.277 -5.173 -3.234 Start of MODEL 20 1 H1 ACE 1 H1 ACE 101 -3.593 -9.465 -0.699 2 H2 ACE 1 H2 ACE 101 -2.240 -8.498 -0.108 3 H3 ACE 1 H3 ACE 101 -3.241 -7.901 -1.432 4 H GLY 2 H1 GLY 1 -5.478 -7.335 -0.953 5 HA2 GLY 2 HA2 GLY 1 -7.082 -6.247 0.298 6 HA3 GLY 2 HA3 GLY 1 -6.600 -7.303 1.619 7 H CYS 3 H CYS 2 -4.362 -5.058 0.078 8 HA CYS 3 HA CYS 2 -3.612 -3.924 2.557 9 HB2 CYS 3 HB2 CYS 2 -2.444 -4.082 0.109 10 HB3 CYS 3 HB3 CYS 2 -2.975 -2.398 0.113 11 HA PRO 4 HA PRO 3 -6.833 -0.826 2.807 12 HB2 PRO 4 HB2 PRO 3 -5.630 0.915 4.552 13 HB3 PRO 4 HB3 PRO 3 -6.385 -0.611 5.050 14 HG2 PRO 4 HG2 PRO 3 -3.509 0.011 4.578 15 HG3 PRO 4 HG3 PRO 3 -4.263 -0.945 5.870 16 HD2 PRO 4 HD2 PRO 3 -3.062 -2.112 3.738 17 HD3 PRO 4 HD3 PRO 3 -4.483 -2.834 4.531 18 H CYS 5 H CYS 4 -3.622 -0.180 1.708 19 HA CYS 5 HA CYS 4 -4.174 2.573 0.941 20 HB2 CYS 5 HB2 CYS 4 -1.790 0.776 0.407 21 HB3 CYS 5 HB3 CYS 4 -1.884 2.482 -0.031 22 H GLU 6 H GLU 5 -4.808 3.262 -1.013 23 HA GLU 6 HA GLU 5 -4.718 1.407 -3.279 24 HB2 GLU 6 HB2 GLU 5 -7.093 2.281 -3.834 25 HB3 GLU 6 HB3 GLU 5 -6.910 0.990 -2.651 26 HG2 GLU 6 HG2 GLU 5 -7.052 2.611 -0.819 27 HG3 GLU 6 HG3 GLU 5 -7.151 3.939 -1.976 28 HA PRO 7 HA PRO 6 -3.841 1.442 -5.201 29 HB2 PRO 7 HB2 PRO 6 -1.368 2.188 -6.113 30 HB3 PRO 7 HB3 PRO 6 -2.850 2.374 -7.064 31 HG2 PRO 7 HG2 PRO 6 -1.387 4.400 -5.445 32 HG3 PRO 7 HG3 PRO 6 -2.126 4.561 -7.047 33 HD2 PRO 7 HD2 PRO 6 -3.349 5.493 -4.820 34 HD3 PRO 7 HD3 PRO 6 -4.274 4.808 -6.178 35 H SER 8 H SER 7 -2.476 -0.121 -4.337 36 HA SER 8 HA SER 7 -1.591 0.261 -1.680 37 HB2 SER 8 HB2 SER 7 -0.834 -2.014 -1.793 38 HB3 SER 8 HB3 SER 7 -2.329 -1.909 -2.717 39 HG SER 8 HG SER 7 0.336 -2.095 -3.616 40 H TYR 9 H TYR 8 -0.018 0.754 -4.723 41 HA TYR 9 HA TYR 8 2.660 0.369 -3.963 42 HB2 TYR 9 HB2 TYR 8 3.131 1.099 -6.043 43 HB3 TYR 9 HB3 TYR 8 1.382 1.149 -6.277 44 HD1 TYR 9 HD1 TYR 8 4.421 3.101 -5.794 45 HD2 TYR 9 HD2 TYR 8 0.139 3.288 -5.942 46 HE1 TYR 9 HE1 TYR 8 4.538 5.564 -6.056 47 HE2 TYR 9 HE2 TYR 8 0.245 5.744 -6.206 48 HH TYR 9 HH TYR 8 2.548 7.380 -7.231 49 H LEU 10 H LEU 9 0.401 2.773 -3.023 50 HA LEU 10 HA LEU 9 2.196 4.910 -2.464 51 HB2 LEU 10 HB2 LEU 9 -0.552 4.216 -1.414 52 HB3 LEU 10 HB3 LEU 9 0.315 5.679 -0.952 53 HG LEU 10 HG LEU 9 -0.216 4.928 -3.831 54 HD11 LEU 10 HD11 LEU 9 -1.818 6.657 -1.925 55 HD12 LEU 10 HD12 LEU 9 -2.382 5.239 -2.810 56 HD13 LEU 10 HD13 LEU 9 -1.999 6.726 -3.678 57 HD21 LEU 10 HD21 LEU 9 1.575 6.498 -3.664 58 HD22 LEU 10 HD22 LEU 9 0.762 7.402 -2.387 59 HD23 LEU 10 HD23 LEU 9 0.152 7.465 -4.041 60 H CYS 11 H CYS 10 1.403 1.956 -0.826 61 HA CYS 11 HA CYS 10 3.015 2.848 1.494 62 HB2 CYS 11 HB2 CYS 10 0.763 0.821 1.540 63 HB3 CYS 11 HB3 CYS 10 1.659 1.443 2.924 64 HA PRO 12 HA PRO 11 4.977 -0.784 -0.685 65 HB2 PRO 12 HB2 PRO 11 7.516 0.269 -0.608 66 HB3 PRO 12 HB3 PRO 11 6.373 0.547 -1.936 67 HG2 PRO 12 HG2 PRO 11 7.061 2.306 0.366 68 HG3 PRO 12 HG3 PRO 11 6.777 2.727 -1.335 69 HD2 PRO 12 HD2 PRO 11 4.889 3.102 0.586 70 HD3 PRO 12 HD3 PRO 11 4.470 2.711 -1.091 71 H TRP 13 H TRP 12 5.617 1.024 2.232 72 HA TRP 13 HA TRP 12 7.467 -0.779 3.416 73 HB2 TRP 13 HB2 TRP 12 6.834 0.372 5.540 74 HB3 TRP 13 HB3 TRP 12 7.296 1.483 4.250 75 HD1 TRP 13 HD1 TRP 12 4.203 0.132 6.069 76 HE1 TRP 13 HE1 TRP 12 2.265 1.798 5.737 77 HE3 TRP 13 HE3 TRP 12 6.393 3.390 2.804 78 HZ2 TRP 13 HZ2 TRP 12 1.719 4.201 4.285 79 HZ3 TRP 13 HZ3 TRP 12 5.144 5.361 1.968 80 HH2 TRP 13 HH2 TRP 12 2.811 5.771 2.703 81 H LEU 14 H LEU 13 4.082 -0.959 2.877 82 HA LEU 14 HA LEU 13 3.594 -2.774 5.084 83 HB2 LEU 14 HB2 LEU 13 1.948 -1.357 3.075 84 HB3 LEU 14 HB3 LEU 13 1.325 -2.913 3.635 85 HG LEU 14 HG LEU 13 2.263 -0.743 5.529 86 HD11 LEU 14 HD11 LEU 13 0.366 0.104 4.206 87 HD12 LEU 14 HD12 LEU 13 -0.137 -0.236 5.862 88 HD13 LEU 14 HD13 LEU 13 -0.549 -1.361 4.567 89 HD21 LEU 14 HD21 LEU 13 0.691 -2.113 7.053 90 HD22 LEU 14 HD22 LEU 13 2.219 -2.873 6.615 91 HD23 LEU 14 HD23 LEU 13 0.733 -3.345 5.792 92 HA PRO 15 HA PRO 14 5.063 -6.252 2.547 93 HB2 PRO 15 HB2 PRO 14 3.493 -7.724 4.634 94 HB3 PRO 15 HB3 PRO 14 5.132 -8.038 4.027 95 HG2 PRO 15 HG2 PRO 14 4.801 -6.910 6.376 96 HG3 PRO 15 HG3 PRO 14 6.061 -6.319 5.277 97 HD2 PRO 15 HD2 PRO 14 3.390 -5.104 5.907 98 HD3 PRO 15 HD3 PRO 14 4.956 -4.305 5.627 99 H GLY 16 H GLY 15 1.758 -6.051 3.814 100 HA2 GLY 16 HA2 GLY 15 0.548 -7.872 2.039 101 HA3 GLY 16 HA3 GLY 15 -0.285 -6.585 2.905 102 H CYS 17 H CYS 16 1.130 -4.391 1.798 103 HA CYS 17 HA CYS 16 -0.378 -3.882 -0.516 104 HB2 CYS 17 HB2 CYS 16 1.919 -2.555 0.854 105 HB3 CYS 17 HB3 CYS 16 1.524 -2.051 -0.788 106 HN1 NH2 18 HN1 NH2 102 -0.044 -4.576 -2.616 107 HN2 NH2 18 HN2 NH2 102 1.443 -5.115 -3.244
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