NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
634528 | 6fgm | 27357 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 2.873 -0.744 -1.153 3 HB1 ALA 1 HB1 ALA 1 1.811 -0.588 -3.279 4 HB2 ALA 1 HB2 ALA 1 0.639 -1.277 -2.155 5 HB3 ALA 1 HB3 ALA 1 0.518 0.418 -2.627 6 H CYS 2 H CYS 2 4.330 0.843 -0.406 7 HA CYS 2 HA CYS 2 3.943 3.555 -1.462 8 HB2 CYS 2 HB2 CYS 2 5.882 2.528 0.621 9 HB3 CYS 2 HB3 CYS 2 5.755 4.203 0.094 10 H PHE 3 H PHE 3 6.130 4.637 -2.046 11 HA PHE 3 HA PHE 3 8.011 2.839 -3.335 12 HB2 PHE 3 HB2 PHE 3 7.560 4.670 -5.366 13 HB3 PHE 3 HB3 PHE 3 7.025 2.993 -5.346 14 HD1 PHE 3 HD1 PHE 3 6.026 6.469 -5.075 15 HD2 PHE 3 HD2 PHE 3 4.721 2.434 -4.713 16 HE1 PHE 3 HE1 PHE 3 3.685 7.222 -5.158 17 HE2 PHE 3 HE2 PHE 3 2.378 3.180 -4.797 18 HZ PHE 3 HZ PHE 3 1.857 5.577 -5.020 19 H LEU 4 H LEU 4 10.028 3.711 -3.578 20 HA LEU 4 HA LEU 4 10.632 6.041 -2.059 21 HB2 LEU 4 HB2 LEU 4 12.335 4.507 -1.980 22 HB3 LEU 4 HB3 LEU 4 12.177 4.085 -3.684 23 HG LEU 4 HG LEU 4 13.242 6.258 -4.260 24 HD11 LEU 4 HD11 LEU 4 14.613 7.020 -2.050 25 HD12 LEU 4 HD12 LEU 4 13.055 6.584 -1.351 26 HD13 LEU 4 HD13 LEU 4 13.139 7.795 -2.630 27 HD21 LEU 4 HD21 LEU 4 14.832 4.659 -4.428 28 HD22 LEU 4 HD22 LEU 4 14.553 4.051 -2.796 29 HD23 LEU 4 HD23 LEU 4 15.508 5.514 -3.042 30 H THR 5 H THR 5 10.866 8.097 -2.679 31 HA THR 5 HA THR 5 10.882 8.679 -5.569 32 HB THR 5 HB THR 5 9.797 10.919 -4.762 33 HG1 THR 5 HG1 THR 5 9.204 9.111 -2.645 34 HG21 THR 5 HG21 THR 5 7.988 8.528 -4.664 35 HG22 THR 5 HG22 THR 5 8.812 8.979 -6.157 36 HG23 THR 5 HG23 THR 5 7.700 10.110 -5.386 37 H ARG 6 H ARG 6 12.105 10.454 -6.273 38 HA ARG 6 HA ARG 6 14.488 10.926 -4.783 39 HB2 ARG 6 HB2 ARG 6 13.437 12.198 -7.316 40 HB3 ARG 6 HB3 ARG 6 15.042 12.484 -6.655 41 HG2 ARG 6 HG2 ARG 6 15.468 10.874 -8.231 42 HG3 ARG 6 HG3 ARG 6 15.256 9.894 -6.779 43 HD2 ARG 6 HD2 ARG 6 12.783 10.441 -8.258 44 HD3 ARG 6 HD3 ARG 6 13.969 9.483 -9.144 45 HE ARG 6 HE ARG 6 12.452 8.671 -6.833 46 HH11 ARG 6 HH11 ARG 6 15.288 8.098 -8.769 47 HH12 ARG 6 HH12 ARG 6 15.459 6.450 -8.265 48 HH21 ARG 6 HH21 ARG 6 12.666 6.502 -6.162 49 HH22 ARG 6 HH22 ARG 6 13.966 5.542 -6.783 50 H LEU 7 H LEU 7 11.446 12.251 -4.554 51 HA LEU 7 HA LEU 7 12.120 14.982 -4.062 52 HB2 LEU 7 HB2 LEU 7 9.836 13.858 -4.675 53 HB3 LEU 7 HB3 LEU 7 9.679 13.692 -2.928 54 HG LEU 7 HG LEU 7 10.245 16.294 -3.032 55 HD11 LEU 7 HD11 LEU 7 9.209 17.355 -4.931 56 HD12 LEU 7 HD12 LEU 7 8.786 15.789 -5.620 57 HD13 LEU 7 HD13 LEU 7 10.479 16.267 -5.490 58 HD21 LEU 7 HD21 LEU 7 7.568 14.984 -3.473 59 HD22 LEU 7 HD22 LEU 7 7.775 16.684 -3.051 60 HD23 LEU 7 HD23 LEU 7 8.310 15.427 -1.935 61 H GLY 8 H GLY 8 12.079 12.081 -2.163 62 HA2 GLY 8 HA2 GLY 8 13.531 13.236 -0.044 63 HA3 GLY 8 HA3 GLY 8 11.836 13.156 0.413 64 H THR 9 H THR 9 10.808 10.941 -0.002 65 HA THR 9 HA THR 9 12.552 8.663 0.098 66 HB THR 9 HB THR 9 12.654 9.580 2.450 67 HG1 THR 9 HG1 THR 9 13.140 7.436 2.232 68 HG21 THR 9 HG21 THR 9 10.820 9.694 3.813 69 HG22 THR 9 HG22 THR 9 9.955 8.430 2.939 70 HG23 THR 9 HG23 THR 9 10.050 10.058 2.269 71 H TYR 10 H TYR 10 10.857 6.837 1.304 72 HA TYR 10 HA TYR 10 9.138 6.116 -0.727 73 HB2 TYR 10 HB2 TYR 10 9.644 5.258 2.007 74 HB3 TYR 10 HB3 TYR 10 7.956 5.049 1.554 75 HD1 TYR 10 HD1 TYR 10 10.979 4.743 -0.593 76 HD2 TYR 10 HD2 TYR 10 7.739 2.735 1.298 77 HE1 TYR 10 HE1 TYR 10 11.563 2.680 -1.797 78 HE2 TYR 10 HE2 TYR 10 8.316 0.666 0.100 79 HH TYR 10 HH TYR 10 9.768 -0.334 -1.256 80 H VAL 11 H VAL 11 7.193 6.756 -1.391 81 HA VAL 11 HA VAL 11 5.430 8.179 0.470 82 HB VAL 11 HB VAL 11 6.532 9.966 -0.701 83 HG11 VAL 11 HG11 VAL 11 7.285 8.558 -2.623 84 HG12 VAL 11 HG12 VAL 11 5.660 8.709 -3.297 85 HG13 VAL 11 HG13 VAL 11 6.663 10.144 -3.079 86 HG21 VAL 11 HG21 VAL 11 3.969 9.910 -0.387 87 HG22 VAL 11 HG22 VAL 11 4.667 11.143 -1.438 88 HG23 VAL 11 HG23 VAL 11 3.916 9.709 -2.139 89 H CYS 12 H CYS 12 3.304 7.725 0.228 90 HA CYS 12 HA CYS 12 2.473 6.219 -2.157 91 HB2 CYS 12 HB2 CYS 12 0.917 5.203 -0.084 92 HB3 CYS 12 HB3 CYS 12 2.246 4.381 -0.895 Start of MODEL 2 1 H1 ALA 1 H ALA 1 0.209 0.843 -1.003 2 HA ALA 1 HA ALA 1 2.313 -0.253 -0.092 3 HB1 ALA 1 HB1 ALA 1 3.540 -0.609 -2.629 4 HB2 ALA 1 HB2 ALA 1 3.235 -1.810 -1.373 5 HB3 ALA 1 HB3 ALA 1 2.022 -1.507 -2.617 6 H CYS 2 H CYS 2 4.362 0.872 -0.221 7 HA CYS 2 HA CYS 2 4.024 3.573 -1.309 8 HB2 CYS 2 HB2 CYS 2 5.966 2.515 0.756 9 HB3 CYS 2 HB3 CYS 2 5.860 4.193 0.232 10 H PHE 3 H PHE 3 6.199 4.632 -1.933 11 HA PHE 3 HA PHE 3 8.069 2.821 -3.217 12 HB2 PHE 3 HB2 PHE 3 7.577 4.628 -5.269 13 HB3 PHE 3 HB3 PHE 3 7.079 2.940 -5.226 14 HD1 PHE 3 HD1 PHE 3 4.794 2.334 -4.605 15 HD2 PHE 3 HD2 PHE 3 6.006 6.400 -4.949 16 HE1 PHE 3 HE1 PHE 3 2.434 3.028 -4.676 17 HE2 PHE 3 HE2 PHE 3 3.648 7.100 -5.020 18 HZ PHE 3 HZ PHE 3 1.859 5.413 -4.882 19 H LEU 4 H LEU 4 10.081 3.691 -3.475 20 HA LEU 4 HA LEU 4 10.694 6.046 -2.006 21 HB2 LEU 4 HB2 LEU 4 12.411 4.532 -1.935 22 HB3 LEU 4 HB3 LEU 4 12.221 4.075 -3.626 23 HG LEU 4 HG LEU 4 13.260 6.242 -4.267 24 HD11 LEU 4 HD11 LEU 4 13.256 6.569 -1.323 25 HD12 LEU 4 HD12 LEU 4 13.067 7.770 -2.601 26 HD13 LEU 4 HD13 LEU 4 14.670 7.149 -2.204 27 HD21 LEU 4 HD21 LEU 4 15.568 5.566 -3.190 28 HD22 LEU 4 HD22 LEU 4 14.798 4.556 -4.414 29 HD23 LEU 4 HD23 LEU 4 14.662 4.132 -2.707 30 H THR 5 H THR 5 10.798 8.095 -2.650 31 HA THR 5 HA THR 5 10.794 8.647 -5.547 32 HB THR 5 HB THR 5 9.724 10.898 -4.706 33 HG1 THR 5 HG1 THR 5 9.803 10.450 -2.492 34 HG21 THR 5 HG21 THR 5 7.628 10.096 -5.341 35 HG22 THR 5 HG22 THR 5 7.921 8.502 -4.646 36 HG23 THR 5 HG23 THR 5 8.741 8.980 -6.132 37 H ARG 6 H ARG 6 12.025 10.375 -6.309 38 HA ARG 6 HA ARG 6 14.425 10.893 -4.875 39 HB2 ARG 6 HB2 ARG 6 13.307 12.125 -7.398 40 HB3 ARG 6 HB3 ARG 6 14.922 12.440 -6.776 41 HG2 ARG 6 HG2 ARG 6 15.339 10.813 -8.336 42 HG3 ARG 6 HG3 ARG 6 15.162 9.848 -6.869 43 HD2 ARG 6 HD2 ARG 6 12.658 10.354 -8.311 44 HD3 ARG 6 HD3 ARG 6 13.838 9.397 -9.207 45 HE ARG 6 HE ARG 6 12.367 8.596 -6.863 46 HH11 ARG 6 HH11 ARG 6 15.185 8.034 -8.828 47 HH12 ARG 6 HH12 ARG 6 15.384 6.395 -8.304 48 HH21 ARG 6 HH21 ARG 6 12.618 6.439 -6.166 49 HH22 ARG 6 HH22 ARG 6 13.922 5.488 -6.791 50 H LEU 7 H LEU 7 11.377 12.227 -4.625 51 HA LEU 7 HA LEU 7 12.049 14.959 -4.170 52 HB2 LEU 7 HB2 LEU 7 9.645 13.543 -3.060 53 HB3 LEU 7 HB3 LEU 7 9.814 15.247 -3.477 54 HG LEU 7 HG LEU 7 9.717 12.965 -5.450 55 HD11 LEU 7 HD11 LEU 7 7.535 14.290 -6.026 56 HD12 LEU 7 HD12 LEU 7 7.649 14.803 -4.343 57 HD13 LEU 7 HD13 LEU 7 7.541 13.087 -4.735 58 HD21 LEU 7 HD21 LEU 7 11.045 14.793 -6.294 59 HD22 LEU 7 HD22 LEU 7 9.802 15.956 -5.833 60 HD23 LEU 7 HD23 LEU 7 9.482 14.782 -7.110 61 H GLY 8 H GLY 8 12.017 12.085 -2.211 62 HA2 GLY 8 HA2 GLY 8 13.546 13.270 -0.157 63 HA3 GLY 8 HA3 GLY 8 11.864 13.204 0.346 64 H THR 9 H THR 9 10.815 10.997 0.037 65 HA THR 9 HA THR 9 12.563 8.714 0.127 66 HB THR 9 HB THR 9 11.051 8.486 2.538 67 HG1 THR 9 HG1 THR 9 11.896 10.213 3.710 68 HG21 THR 9 HG21 THR 9 12.929 7.174 2.482 69 HG22 THR 9 HG22 THR 9 13.550 8.536 3.416 70 HG23 THR 9 HG23 THR 9 13.904 8.413 1.693 71 H TYR 10 H TYR 10 10.968 6.843 1.264 72 HA TYR 10 HA TYR 10 9.194 6.117 -0.687 73 HB2 TYR 10 HB2 TYR 10 9.737 5.293 2.053 74 HB3 TYR 10 HB3 TYR 10 8.049 5.059 1.613 75 HD1 TYR 10 HD1 TYR 10 7.844 2.746 1.364 76 HD2 TYR 10 HD2 TYR 10 11.078 4.760 -0.529 77 HE1 TYR 10 HE1 TYR 10 8.436 0.672 0.183 78 HE2 TYR 10 HE2 TYR 10 11.679 2.692 -1.716 79 HH TYR 10 HH TYR 10 9.917 -0.333 -1.144 80 H VAL 11 H VAL 11 7.236 6.738 -1.329 81 HA VAL 11 HA VAL 11 5.496 8.177 0.542 82 HB VAL 11 HB VAL 11 6.565 9.947 -0.685 83 HG11 VAL 11 HG11 VAL 11 5.658 8.601 -3.226 84 HG12 VAL 11 HG12 VAL 11 6.605 10.084 -3.084 85 HG13 VAL 11 HG13 VAL 11 7.304 8.539 -2.595 86 HG21 VAL 11 HG21 VAL 11 3.923 9.654 -2.063 87 HG22 VAL 11 HG22 VAL 11 4.006 9.880 -0.316 88 HG23 VAL 11 HG23 VAL 11 4.678 11.102 -1.397 89 H CYS 12 H CYS 12 3.354 7.749 0.319 90 HA CYS 12 HA CYS 12 2.487 6.190 -2.015 91 HB2 CYS 12 HB2 CYS 12 0.990 5.174 0.098 92 HB3 CYS 12 HB3 CYS 12 2.313 4.361 -0.732 Start of MODEL 3 1 H1 ALA 1 H ALA 1 0.792 1.019 0.039 2 HA ALA 1 HA ALA 1 2.861 -0.669 -0.953 3 HB1 ALA 1 HB1 ALA 1 1.775 0.161 -3.397 4 HB2 ALA 1 HB2 ALA 1 1.892 -1.486 -2.776 5 HB3 ALA 1 HB3 ALA 1 0.435 -0.535 -2.486 6 H CYS 2 H CYS 2 4.317 0.869 -0.357 7 HA CYS 2 HA CYS 2 3.999 3.583 -1.419 8 HB2 CYS 2 HB2 CYS 2 5.916 2.495 0.653 9 HB3 CYS 2 HB3 CYS 2 5.823 4.178 0.145 10 H PHE 3 H PHE 3 6.178 4.640 -2.019 11 HA PHE 3 HA PHE 3 8.055 2.835 -3.301 12 HB2 PHE 3 HB2 PHE 3 7.586 4.664 -5.340 13 HB3 PHE 3 HB3 PHE 3 7.086 2.976 -5.318 14 HD1 PHE 3 HD1 PHE 3 6.015 6.434 -5.018 15 HD2 PHE 3 HD2 PHE 3 4.794 2.368 -4.720 16 HE1 PHE 3 HE1 PHE 3 3.659 7.139 -5.103 17 HE2 PHE 3 HE2 PHE 3 2.436 3.066 -4.805 18 HZ PHE 3 HZ PHE 3 1.866 5.454 -4.998 19 H LEU 4 H LEU 4 10.072 3.701 -3.531 20 HA LEU 4 HA LEU 4 10.679 6.040 -2.036 21 HB2 LEU 4 HB2 LEU 4 12.391 4.520 -1.963 22 HB3 LEU 4 HB3 LEU 4 12.215 4.080 -3.660 23 HG LEU 4 HG LEU 4 13.266 6.250 -4.272 24 HD11 LEU 4 HD11 LEU 4 14.662 7.116 -2.171 25 HD12 LEU 4 HD12 LEU 4 13.217 6.556 -1.330 26 HD13 LEU 4 HD13 LEU 4 13.081 7.769 -2.603 27 HD21 LEU 4 HD21 LEU 4 15.562 5.556 -3.182 28 HD22 LEU 4 HD22 LEU 4 14.800 4.559 -4.421 29 HD23 LEU 4 HD23 LEU 4 14.648 4.120 -2.719 30 H THR 5 H THR 5 10.794 8.095 -2.659 31 HA THR 5 HA THR 5 10.818 8.673 -5.551 32 HB THR 5 HB THR 5 9.748 10.921 -4.698 33 HG1 THR 5 HG1 THR 5 9.195 10.852 -2.665 34 HG21 THR 5 HG21 THR 5 7.654 10.130 -5.358 35 HG22 THR 5 HG22 THR 5 7.938 8.528 -4.678 36 HG23 THR 5 HG23 THR 5 8.771 9.021 -6.152 37 H ARG 6 H ARG 6 12.061 10.405 -6.286 38 HA ARG 6 HA ARG 6 14.449 10.902 -4.826 39 HB2 ARG 6 HB2 ARG 6 13.357 12.162 -7.347 40 HB3 ARG 6 HB3 ARG 6 14.967 12.465 -6.709 41 HG2 ARG 6 HG2 ARG 6 15.393 10.852 -8.281 42 HG3 ARG 6 HG3 ARG 6 15.201 9.874 -6.824 43 HD2 ARG 6 HD2 ARG 6 12.711 10.401 -8.283 44 HD3 ARG 6 HD3 ARG 6 13.896 9.448 -9.176 45 HE ARG 6 HE ARG 6 12.403 8.631 -6.853 46 HH11 ARG 6 HH11 ARG 6 15.235 8.078 -8.800 47 HH12 ARG 6 HH12 ARG 6 15.424 6.433 -8.291 48 HH21 ARG 6 HH21 ARG 6 12.641 6.466 -6.174 49 HH22 ARG 6 HH22 ARG 6 13.947 5.517 -6.797 50 H LEU 7 H LEU 7 11.404 12.243 -4.590 51 HA LEU 7 HA LEU 7 12.081 14.968 -4.102 52 HB2 LEU 7 HB2 LEU 7 9.788 13.822 -4.662 53 HB3 LEU 7 HB3 LEU 7 9.667 13.685 -2.909 54 HG LEU 7 HG LEU 7 10.316 16.333 -3.267 55 HD11 LEU 7 HD11 LEU 7 8.554 17.056 -4.944 56 HD12 LEU 7 HD12 LEU 7 8.594 15.399 -5.543 57 HD13 LEU 7 HD13 LEU 7 10.050 16.392 -5.601 58 HD21 LEU 7 HD21 LEU 7 7.787 14.824 -2.783 59 HD22 LEU 7 HD22 LEU 7 7.731 16.577 -2.969 60 HD23 LEU 7 HD23 LEU 7 8.709 15.856 -1.690 61 H GLY 8 H GLY 8 12.020 12.076 -2.172 62 HA2 GLY 8 HA2 GLY 8 13.535 13.236 -0.092 63 HA3 GLY 8 HA3 GLY 8 11.848 13.169 0.395 64 H THR 9 H THR 9 10.796 10.970 0.058 65 HA THR 9 HA THR 9 12.537 8.680 0.139 66 HB THR 9 HB THR 9 11.002 8.434 2.534 67 HG1 THR 9 HG1 THR 9 11.349 10.267 3.544 68 HG21 THR 9 HG21 THR 9 13.491 8.463 3.436 69 HG22 THR 9 HG22 THR 9 13.863 8.361 1.716 70 HG23 THR 9 HG23 THR 9 12.875 7.116 2.480 71 H TYR 10 H TYR 10 10.926 6.803 1.244 72 HA TYR 10 HA TYR 10 9.168 6.102 -0.730 73 HB2 TYR 10 HB2 TYR 10 9.681 5.250 2.007 74 HB3 TYR 10 HB3 TYR 10 7.997 5.025 1.548 75 HD1 TYR 10 HD1 TYR 10 7.790 2.715 1.277 76 HD2 TYR 10 HD2 TYR 10 11.046 4.739 -0.568 77 HE1 TYR 10 HE1 TYR 10 8.389 0.650 0.082 78 HE2 TYR 10 HE2 TYR 10 11.653 2.680 -1.769 79 HH TYR 10 HH TYR 10 9.791 -0.316 -1.336 80 H VAL 11 H VAL 11 7.217 6.734 -1.384 81 HA VAL 11 HA VAL 11 5.464 8.162 0.484 82 HB VAL 11 HB VAL 11 6.549 9.940 -0.717 83 HG11 VAL 11 HG11 VAL 11 6.634 10.096 -3.105 84 HG12 VAL 11 HG12 VAL 11 7.289 8.526 -2.635 85 HG13 VAL 11 HG13 VAL 11 5.653 8.643 -3.285 86 HG21 VAL 11 HG21 VAL 11 3.918 9.663 -2.120 87 HG22 VAL 11 HG22 VAL 11 3.989 9.880 -0.371 88 HG23 VAL 11 HG23 VAL 11 4.672 11.105 -1.440 89 H CYS 12 H CYS 12 3.323 7.741 0.240 90 HA CYS 12 HA CYS 12 2.473 6.207 -2.117 91 HB2 CYS 12 HB2 CYS 12 0.955 5.174 -0.027 92 HB3 CYS 12 HB3 CYS 12 2.283 4.366 -0.853 Start of MODEL 4 1 H1 ALA 1 H ALA 1 2.406 -0.305 -2.480 2 HA ALA 1 HA ALA 1 2.615 -0.423 0.454 3 HB1 ALA 1 HB1 ALA 1 3.243 -2.576 -0.820 4 HB2 ALA 1 HB2 ALA 1 4.689 -1.686 -1.299 5 HB3 ALA 1 HB3 ALA 1 4.351 -1.966 0.409 6 H CYS 2 H CYS 2 2.569 1.906 -1.196 7 HA CYS 2 HA CYS 2 3.670 3.874 -1.487 8 HB2 CYS 2 HB2 CYS 2 5.538 2.698 0.583 9 HB3 CYS 2 HB3 CYS 2 5.512 4.386 0.083 10 H PHE 3 H PHE 3 5.911 4.832 -2.060 11 HA PHE 3 HA PHE 3 7.699 2.950 -3.355 12 HB2 PHE 3 HB2 PHE 3 7.328 4.813 -5.382 13 HB3 PHE 3 HB3 PHE 3 6.741 3.153 -5.373 14 HD1 PHE 3 HD1 PHE 3 5.849 6.660 -5.044 15 HD2 PHE 3 HD2 PHE 3 4.419 2.659 -4.793 16 HE1 PHE 3 HE1 PHE 3 3.532 7.486 -5.129 17 HE2 PHE 3 HE2 PHE 3 2.101 3.478 -4.879 18 HZ PHE 3 HZ PHE 3 1.655 5.894 -5.048 19 H LEU 4 H LEU 4 9.756 3.721 -3.579 20 HA LEU 4 HA LEU 4 10.471 6.015 -2.061 21 HB2 LEU 4 HB2 LEU 4 12.107 4.413 -1.997 22 HB3 LEU 4 HB3 LEU 4 11.916 3.997 -3.699 23 HG LEU 4 HG LEU 4 13.073 6.119 -4.287 24 HD11 LEU 4 HD11 LEU 4 12.996 7.643 -2.626 25 HD12 LEU 4 HD12 LEU 4 14.502 6.866 -2.140 26 HD13 LEU 4 HD13 LEU 4 12.987 6.420 -1.354 27 HD21 LEU 4 HD21 LEU 4 14.337 3.903 -2.761 28 HD22 LEU 4 HD22 LEU 4 15.327 5.302 -3.180 29 HD23 LEU 4 HD23 LEU 4 14.532 4.372 -4.451 30 H THR 5 H THR 5 10.690 8.067 -2.667 31 HA THR 5 HA THR 5 10.747 8.668 -5.553 32 HB THR 5 HB THR 5 9.788 10.958 -4.683 33 HG1 THR 5 HG1 THR 5 9.072 10.916 -2.695 34 HG21 THR 5 HG21 THR 5 7.862 8.656 -4.683 35 HG22 THR 5 HG22 THR 5 8.719 9.121 -6.153 36 HG23 THR 5 HG23 THR 5 7.657 10.276 -5.348 37 H ARG 6 H ARG 6 12.078 10.338 -6.273 38 HA ARG 6 HA ARG 6 14.484 10.705 -4.804 39 HB2 ARG 6 HB2 ARG 6 13.464 12.034 -7.320 40 HB3 ARG 6 HB3 ARG 6 15.086 12.251 -6.675 41 HG2 ARG 6 HG2 ARG 6 15.434 10.629 -8.256 42 HG3 ARG 6 HG3 ARG 6 15.186 9.652 -6.807 43 HD2 ARG 6 HD2 ARG 6 12.732 10.316 -8.270 44 HD3 ARG 6 HD3 ARG 6 13.870 9.311 -9.167 45 HE ARG 6 HE ARG 6 12.327 8.553 -6.856 46 HH11 ARG 6 HH11 ARG 6 15.138 7.872 -8.794 47 HH12 ARG 6 HH12 ARG 6 15.241 6.216 -8.296 48 HH21 ARG 6 HH21 ARG 6 12.453 6.375 -6.192 49 HH22 ARG 6 HH22 ARG 6 13.713 5.365 -6.816 50 H LEU 7 H LEU 7 11.509 12.195 -4.568 51 HA LEU 7 HA LEU 7 12.319 14.881 -4.063 52 HB2 LEU 7 HB2 LEU 7 9.974 13.854 -4.634 53 HB3 LEU 7 HB3 LEU 7 9.841 13.712 -2.883 54 HG LEU 7 HG LEU 7 10.292 16.192 -2.765 55 HD11 LEU 7 HD11 LEU 7 11.223 16.198 -5.152 56 HD12 LEU 7 HD12 LEU 7 10.179 17.534 -4.668 57 HD13 LEU 7 HD13 LEU 7 9.536 16.230 -5.666 58 HD21 LEU 7 HD21 LEU 7 7.843 15.021 -4.037 59 HD22 LEU 7 HD22 LEU 7 7.950 16.743 -3.670 60 HD23 LEU 7 HD23 LEU 7 8.085 15.554 -2.373 61 H GLY 8 H GLY 8 12.111 11.984 -2.149 62 HA2 GLY 8 HA2 GLY 8 13.675 13.056 -0.059 63 HA3 GLY 8 HA3 GLY 8 11.985 13.069 0.423 64 H THR 9 H THR 9 10.828 10.925 0.067 65 HA THR 9 HA THR 9 12.455 8.552 0.139 66 HB THR 9 HB THR 9 10.903 8.367 2.529 67 HG1 THR 9 HG1 THR 9 12.816 10.460 2.672 68 HG21 THR 9 HG21 THR 9 12.711 6.958 2.468 69 HG22 THR 9 HG22 THR 9 13.387 8.267 3.438 70 HG23 THR 9 HG23 THR 9 13.760 8.160 1.718 71 H TYR 10 H TYR 10 10.751 6.749 1.228 72 HA TYR 10 HA TYR 10 8.966 6.148 -0.755 73 HB2 TYR 10 HB2 TYR 10 9.435 5.251 1.975 74 HB3 TYR 10 HB3 TYR 10 7.741 5.114 1.516 75 HD1 TYR 10 HD1 TYR 10 7.414 2.822 1.223 76 HD2 TYR 10 HD2 TYR 10 10.774 4.689 -0.601 77 HE1 TYR 10 HE1 TYR 10 7.907 0.738 0.012 78 HE2 TYR 10 HE2 TYR 10 11.275 2.612 -1.818 79 HH TYR 10 HH TYR 10 10.338 -0.232 -1.064 80 H VAL 11 H VAL 11 7.048 6.875 -1.406 81 HA VAL 11 HA VAL 11 5.361 8.370 0.469 82 HB VAL 11 HB VAL 11 6.536 10.105 -0.712 83 HG11 VAL 11 HG11 VAL 11 5.597 8.846 -3.285 84 HG12 VAL 11 HG12 VAL 11 6.605 10.284 -3.110 85 HG13 VAL 11 HG13 VAL 11 7.231 8.703 -2.638 86 HG21 VAL 11 HG21 VAL 11 4.720 11.366 -1.435 87 HG22 VAL 11 HG22 VAL 11 3.894 9.967 -2.121 88 HG23 VAL 11 HG23 VAL 11 3.977 10.172 -0.372 89 H CYS 12 H CYS 12 3.203 8.058 0.212 90 HA CYS 12 HA CYS 12 2.289 6.586 -2.160 91 HB2 CYS 12 HB2 CYS 12 0.712 5.616 -0.083 92 HB3 CYS 12 HB3 CYS 12 2.001 4.748 -0.911 Start of MODEL 5 1 H1 ALA 1 H ALA 1 1.670 0.722 0.644 2 HA ALA 1 HA ALA 1 2.803 -0.717 -1.432 3 HB1 ALA 1 HB1 ALA 1 0.046 0.247 -2.011 4 HB2 ALA 1 HB2 ALA 1 1.255 0.303 -3.295 5 HB3 ALA 1 HB3 ALA 1 0.857 -1.233 -2.524 6 H CYS 2 H CYS 2 4.270 0.889 -0.393 7 HA CYS 2 HA CYS 2 3.965 3.605 -1.452 8 HB2 CYS 2 HB2 CYS 2 5.872 2.509 0.626 9 HB3 CYS 2 HB3 CYS 2 5.786 4.193 0.119 10 H PHE 3 H PHE 3 6.153 4.655 -2.039 11 HA PHE 3 HA PHE 3 8.027 2.844 -3.318 12 HB2 PHE 3 HB2 PHE 3 7.573 4.677 -5.356 13 HB3 PHE 3 HB3 PHE 3 7.064 2.991 -5.339 14 HD1 PHE 3 HD1 PHE 3 4.768 2.392 -4.753 15 HD2 PHE 3 HD2 PHE 3 6.008 6.454 -5.036 16 HE1 PHE 3 HE1 PHE 3 2.414 3.101 -4.846 17 HE2 PHE 3 HE2 PHE 3 3.656 7.170 -5.128 18 HZ PHE 3 HZ PHE 3 1.855 5.492 -5.033 19 H LEU 4 H LEU 4 10.048 3.702 -3.541 20 HA LEU 4 HA LEU 4 10.660 6.036 -2.040 21 HB2 LEU 4 HB2 LEU 4 12.365 4.509 -1.964 22 HB3 LEU 4 HB3 LEU 4 12.193 4.071 -3.662 23 HG LEU 4 HG LEU 4 13.255 6.238 -4.267 24 HD11 LEU 4 HD11 LEU 4 14.650 7.072 -2.137 25 HD12 LEU 4 HD12 LEU 4 13.169 6.552 -1.334 26 HD13 LEU 4 HD13 LEU 4 13.099 7.765 -2.612 27 HD21 LEU 4 HD21 LEU 4 15.545 5.534 -3.179 28 HD22 LEU 4 HD22 LEU 4 14.777 4.536 -4.414 29 HD23 LEU 4 HD23 LEU 4 14.626 4.104 -2.709 30 H THR 5 H THR 5 10.787 8.091 -2.660 31 HA THR 5 HA THR 5 10.822 8.674 -5.551 32 HB THR 5 HB THR 5 9.760 10.924 -4.698 33 HG1 THR 5 HG1 THR 5 9.826 10.422 -2.483 34 HG21 THR 5 HG21 THR 5 7.664 10.144 -5.366 35 HG22 THR 5 HG22 THR 5 7.938 8.540 -4.686 36 HG23 THR 5 HG23 THR 5 8.778 9.030 -6.157 37 H ARG 6 H ARG 6 12.075 10.402 -6.279 38 HA ARG 6 HA ARG 6 14.461 10.885 -4.812 39 HB2 ARG 6 HB2 ARG 6 13.381 12.155 -7.333 40 HB3 ARG 6 HB3 ARG 6 14.991 12.451 -6.689 41 HG2 ARG 6 HG2 ARG 6 15.414 10.840 -8.264 42 HG3 ARG 6 HG3 ARG 6 15.215 9.859 -6.810 43 HD2 ARG 6 HD2 ARG 6 12.731 10.398 -8.274 44 HD3 ARG 6 HD3 ARG 6 13.914 9.443 -9.166 45 HE ARG 6 HE ARG 6 12.410 8.627 -6.848 46 HH11 ARG 6 HH11 ARG 6 15.248 8.067 -8.785 47 HH12 ARG 6 HH12 ARG 6 15.430 6.421 -8.277 48 HH21 ARG 6 HH21 ARG 6 12.639 6.461 -6.171 49 HH22 ARG 6 HH22 ARG 6 13.945 5.508 -6.791 50 H LEU 7 H LEU 7 11.421 12.239 -4.581 51 HA LEU 7 HA LEU 7 12.107 14.961 -4.087 52 HB2 LEU 7 HB2 LEU 7 9.796 13.707 -4.583 53 HB3 LEU 7 HB3 LEU 7 9.694 13.798 -2.826 54 HG LEU 7 HG LEU 7 8.509 15.645 -3.886 55 HD11 LEU 7 HD11 LEU 7 9.354 17.376 -2.537 56 HD12 LEU 7 HD12 LEU 7 10.998 16.741 -2.610 57 HD13 LEU 7 HD13 LEU 7 9.761 15.881 -1.693 58 HD21 LEU 7 HD21 LEU 7 10.712 15.651 -5.634 59 HD22 LEU 7 HD22 LEU 7 10.743 17.195 -4.783 60 HD23 LEU 7 HD23 LEU 7 9.298 16.705 -5.668 61 H GLY 8 H GLY 8 12.021 12.066 -2.156 62 HA2 GLY 8 HA2 GLY 8 13.544 13.216 -0.075 63 HA3 GLY 8 HA3 GLY 8 11.856 13.158 0.409 64 H THR 9 H THR 9 10.793 10.963 0.061 65 HA THR 9 HA THR 9 12.522 8.664 0.147 66 HB THR 9 HB THR 9 10.977 8.422 2.536 67 HG1 THR 9 HG1 THR 9 11.952 10.121 3.741 68 HG21 THR 9 HG21 THR 9 12.846 7.097 2.494 69 HG22 THR 9 HG22 THR 9 13.467 8.446 3.445 70 HG23 THR 9 HG23 THR 9 13.839 8.334 1.725 71 H TYR 10 H TYR 10 10.899 6.793 1.243 72 HA TYR 10 HA TYR 10 9.145 6.103 -0.739 73 HB2 TYR 10 HB2 TYR 10 9.645 5.245 1.999 74 HB3 TYR 10 HB3 TYR 10 7.961 5.028 1.534 75 HD1 TYR 10 HD1 TYR 10 7.744 2.720 1.258 76 HD2 TYR 10 HD2 TYR 10 11.016 4.732 -0.573 77 HE1 TYR 10 HE1 TYR 10 8.338 0.654 0.061 78 HE2 TYR 10 HE2 TYR 10 11.618 2.672 -1.775 79 HH TYR 10 HH TYR 10 9.887 -0.359 -1.206 80 H VAL 11 H VAL 11 7.198 6.743 -1.398 81 HA VAL 11 HA VAL 11 5.445 8.176 0.466 82 HB VAL 11 HB VAL 11 6.542 9.952 -0.727 83 HG11 VAL 11 HG11 VAL 11 6.582 10.115 -3.136 84 HG12 VAL 11 HG12 VAL 11 7.315 8.588 -2.640 85 HG13 VAL 11 HG13 VAL 11 5.674 8.611 -3.285 86 HG21 VAL 11 HG21 VAL 11 4.674 11.127 -1.449 87 HG22 VAL 11 HG22 VAL 11 3.917 9.695 -2.147 88 HG23 VAL 11 HG23 VAL 11 3.977 9.896 -0.396 89 H CYS 12 H CYS 12 3.304 7.765 0.214 90 HA CYS 12 HA CYS 12 2.455 6.239 -2.148 91 HB2 CYS 12 HB2 CYS 12 0.925 5.210 -0.066 92 HB3 CYS 12 HB3 CYS 12 2.252 4.397 -0.888 Start of MODEL 6 1 H1 ALA 1 H ALA 1 0.440 0.604 -1.477 2 HA ALA 1 HA ALA 1 2.697 -0.528 -0.045 3 HB1 ALA 1 HB1 ALA 1 3.852 -1.321 -2.009 4 HB2 ALA 1 HB2 ALA 1 2.285 -2.123 -1.887 5 HB3 ALA 1 HB3 ALA 1 2.516 -0.810 -3.042 6 H CYS 2 H CYS 2 4.403 0.847 0.071 7 HA CYS 2 HA CYS 2 4.018 3.501 -1.057 8 HB2 CYS 2 HB2 CYS 2 5.938 2.388 0.989 9 HB3 CYS 2 HB3 CYS 2 6.045 4.038 0.384 10 H PHE 3 H PHE 3 6.090 4.644 -1.793 11 HA PHE 3 HA PHE 3 7.945 2.901 -3.207 12 HB2 PHE 3 HB2 PHE 3 7.326 4.823 -5.133 13 HB3 PHE 3 HB3 PHE 3 6.896 3.116 -5.174 14 HD1 PHE 3 HD1 PHE 3 4.671 2.386 -4.384 15 HD2 PHE 3 HD2 PHE 3 5.698 6.500 -4.752 16 HE1 PHE 3 HE1 PHE 3 2.285 2.984 -4.314 17 HE2 PHE 3 HE2 PHE 3 3.314 7.105 -4.682 18 HZ PHE 3 HZ PHE 3 1.604 5.346 -4.462 19 H LEU 4 H LEU 4 9.892 3.908 -3.793 20 HA LEU 4 HA LEU 4 10.551 6.206 -2.180 21 HB2 LEU 4 HB2 LEU 4 12.273 4.695 -2.138 22 HB3 LEU 4 HB3 LEU 4 12.053 4.237 -3.826 23 HG LEU 4 HG LEU 4 13.049 6.455 -4.457 24 HD11 LEU 4 HD11 LEU 4 13.760 7.951 -2.946 25 HD12 LEU 4 HD12 LEU 4 14.352 6.710 -1.842 26 HD13 LEU 4 HD13 LEU 4 12.639 7.129 -1.860 27 HD21 LEU 4 HD21 LEU 4 15.401 5.710 -3.564 28 HD22 LEU 4 HD22 LEU 4 14.539 4.739 -4.758 29 HD23 LEU 4 HD23 LEU 4 14.515 4.271 -3.057 30 H THR 5 H THR 5 10.470 8.244 -2.833 31 HA THR 5 HA THR 5 10.356 8.793 -5.722 32 HB THR 5 HB THR 5 9.604 11.141 -4.540 33 HG1 THR 5 HG1 THR 5 8.453 10.728 -2.742 34 HG21 THR 5 HG21 THR 5 8.514 9.814 -6.394 35 HG22 THR 5 HG22 THR 5 7.406 10.638 -5.297 36 HG23 THR 5 HG23 THR 5 7.676 8.903 -5.138 37 H ARG 6 H ARG 6 11.371 10.792 -6.476 38 HA ARG 6 HA ARG 6 14.060 10.984 -5.613 39 HB2 ARG 6 HB2 ARG 6 12.389 12.627 -7.508 40 HB3 ARG 6 HB3 ARG 6 14.073 13.009 -7.177 41 HG2 ARG 6 HG2 ARG 6 14.065 11.745 -9.159 42 HG3 ARG 6 HG3 ARG 6 14.621 10.652 -7.890 43 HD2 ARG 6 HD2 ARG 6 11.710 10.719 -8.393 44 HD3 ARG 6 HD3 ARG 6 12.709 10.013 -9.663 45 HE ARG 6 HE ARG 6 12.124 8.880 -7.102 46 HH11 ARG 6 HH11 ARG 6 14.474 9.012 -9.667 47 HH12 ARG 6 HH12 ARG 6 15.152 7.460 -9.302 48 HH21 ARG 6 HH21 ARG 6 13.007 6.835 -6.612 49 HH22 ARG 6 HH22 ARG 6 14.316 6.222 -7.565 50 H LEU 7 H LEU 7 11.259 12.291 -4.336 51 HA LEU 7 HA LEU 7 12.183 14.846 -3.514 52 HB2 LEU 7 HB2 LEU 7 9.833 13.210 -3.168 53 HB3 LEU 7 HB3 LEU 7 10.286 13.988 -1.653 54 HG LEU 7 HG LEU 7 10.237 16.179 -2.836 55 HD11 LEU 7 HD11 LEU 7 8.910 16.163 -5.000 56 HD12 LEU 7 HD12 LEU 7 9.278 14.441 -5.090 57 HD13 LEU 7 HD13 LEU 7 10.587 15.623 -5.092 58 HD21 LEU 7 HD21 LEU 7 7.869 16.407 -2.761 59 HD22 LEU 7 HD22 LEU 7 8.321 15.234 -1.523 60 HD23 LEU 7 HD23 LEU 7 7.632 14.684 -3.052 61 H GLY 8 H GLY 8 12.478 11.623 -2.208 62 HA2 GLY 8 HA2 GLY 8 14.409 11.206 -0.774 63 HA3 GLY 8 HA3 GLY 8 14.082 12.748 0.002 64 H THR 9 H THR 9 11.547 10.491 -0.827 65 HA THR 9 HA THR 9 11.428 9.321 1.803 66 HB THR 9 HB THR 9 8.834 10.367 1.577 67 HG1 THR 9 HG1 THR 9 9.484 12.690 1.691 68 HG21 THR 9 HG21 THR 9 9.717 11.773 3.593 69 HG22 THR 9 HG22 THR 9 11.179 10.809 3.382 70 HG23 THR 9 HG23 THR 9 9.640 10.016 3.718 71 H TYR 10 H TYR 10 9.977 7.582 1.939 72 HA TYR 10 HA TYR 10 9.374 6.351 -0.582 73 HB2 TYR 10 HB2 TYR 10 9.943 5.405 1.937 74 HB3 TYR 10 HB3 TYR 10 8.214 5.103 1.805 75 HD1 TYR 10 HD1 TYR 10 7.842 2.878 1.325 76 HD2 TYR 10 HD2 TYR 10 11.032 4.890 -0.645 77 HE1 TYR 10 HE1 TYR 10 8.294 0.854 0.003 78 HE2 TYR 10 HE2 TYR 10 11.493 2.872 -1.973 79 HH TYR 10 HH TYR 10 9.557 -0.080 -1.561 80 H VAL 11 H VAL 11 7.943 8.453 -0.895 81 HA VAL 11 HA VAL 11 5.456 8.768 0.250 82 HB VAL 11 HB VAL 11 6.531 10.268 -1.473 83 HG11 VAL 11 HG11 VAL 11 7.015 8.525 -3.133 84 HG12 VAL 11 HG12 VAL 11 5.284 8.314 -3.404 85 HG13 VAL 11 HG13 VAL 11 6.063 9.841 -3.819 86 HG21 VAL 11 HG21 VAL 11 4.028 10.179 -0.659 87 HG22 VAL 11 HG22 VAL 11 4.526 11.266 -1.955 88 HG23 VAL 11 HG23 VAL 11 3.733 9.739 -2.342 89 H CYS 12 H CYS 12 3.376 8.035 -0.223 90 HA CYS 12 HA CYS 12 3.262 5.527 -1.768 91 HB2 CYS 12 HB2 CYS 12 1.317 6.107 0.432 92 HB3 CYS 12 HB3 CYS 12 1.869 4.554 -0.189 Start of MODEL 7 1 H1 ALA 1 H ALA 1 1.284 0.690 0.542 2 HA ALA 1 HA ALA 1 3.061 -0.833 -0.791 3 HB1 ALA 1 HB1 ALA 1 0.654 -0.379 -2.478 4 HB2 ALA 1 HB2 ALA 1 2.241 -0.347 -3.248 5 HB3 ALA 1 HB3 ALA 1 1.715 -1.785 -2.374 6 H CYS 2 H CYS 2 4.372 0.830 -0.062 7 HA CYS 2 HA CYS 2 3.989 3.507 -1.151 8 HB2 CYS 2 HB2 CYS 2 5.889 2.371 0.902 9 HB3 CYS 2 HB3 CYS 2 6.005 4.025 0.311 10 H PHE 3 H PHE 3 6.067 4.649 -1.865 11 HA PHE 3 HA PHE 3 7.931 2.910 -3.274 12 HB2 PHE 3 HB2 PHE 3 7.331 4.848 -5.192 13 HB3 PHE 3 HB3 PHE 3 6.899 3.142 -5.249 14 HD1 PHE 3 HD1 PHE 3 4.666 2.409 -4.480 15 HD2 PHE 3 HD2 PHE 3 5.702 6.524 -4.815 16 HE1 PHE 3 HE1 PHE 3 2.281 3.010 -4.426 17 HE2 PHE 3 HE2 PHE 3 3.318 7.132 -4.760 18 HZ PHE 3 HZ PHE 3 1.604 5.374 -4.565 19 H LEU 4 H LEU 4 9.883 3.919 -3.844 20 HA LEU 4 HA LEU 4 10.536 6.203 -2.207 21 HB2 LEU 4 HB2 LEU 4 12.254 4.688 -2.165 22 HB3 LEU 4 HB3 LEU 4 12.046 4.243 -3.858 23 HG LEU 4 HG LEU 4 13.050 6.464 -4.464 24 HD11 LEU 4 HD11 LEU 4 14.350 6.706 -1.853 25 HD12 LEU 4 HD12 LEU 4 12.632 7.101 -1.850 26 HD13 LEU 4 HD13 LEU 4 13.731 7.952 -2.936 27 HD21 LEU 4 HD21 LEU 4 14.539 4.749 -4.770 28 HD22 LEU 4 HD22 LEU 4 14.500 4.263 -3.075 29 HD23 LEU 4 HD23 LEU 4 15.395 5.704 -3.558 30 H THR 5 H THR 5 10.479 8.247 -2.844 31 HA THR 5 HA THR 5 10.380 8.818 -5.730 32 HB THR 5 HB THR 5 9.626 11.159 -4.536 33 HG1 THR 5 HG1 THR 5 9.435 10.389 -2.475 34 HG21 THR 5 HG21 THR 5 7.431 10.666 -5.310 35 HG22 THR 5 HG22 THR 5 7.698 8.929 -5.163 36 HG23 THR 5 HG23 THR 5 8.545 9.850 -6.405 37 H ARG 6 H ARG 6 11.406 10.821 -6.460 38 HA ARG 6 HA ARG 6 14.090 10.998 -5.578 39 HB2 ARG 6 HB2 ARG 6 12.436 12.663 -7.469 40 HB3 ARG 6 HB3 ARG 6 14.120 13.036 -7.124 41 HG2 ARG 6 HG2 ARG 6 14.121 11.789 -9.117 42 HG3 ARG 6 HG3 ARG 6 14.663 10.682 -7.853 43 HD2 ARG 6 HD2 ARG 6 11.756 10.767 -8.376 44 HD3 ARG 6 HD3 ARG 6 12.760 10.069 -9.647 45 HE ARG 6 HE ARG 6 12.159 8.917 -7.095 46 HH11 ARG 6 HH11 ARG 6 14.505 9.050 -9.664 47 HH12 ARG 6 HH12 ARG 6 15.169 7.488 -9.315 48 HH21 ARG 6 HH21 ARG 6 13.024 6.859 -6.626 49 HH22 ARG 6 HH22 ARG 6 14.324 6.242 -7.587 50 H LEU 7 H LEU 7 11.284 12.302 -4.309 51 HA LEU 7 HA LEU 7 12.208 14.848 -3.459 52 HB2 LEU 7 HB2 LEU 7 9.833 13.299 -3.252 53 HB3 LEU 7 HB3 LEU 7 10.282 13.835 -1.634 54 HG LEU 7 HG LEU 7 8.688 15.354 -2.719 55 HD11 LEU 7 HD11 LEU 7 9.615 17.166 -1.763 56 HD12 LEU 7 HD12 LEU 7 11.120 17.009 -2.669 57 HD13 LEU 7 HD13 LEU 7 10.844 16.014 -1.239 58 HD21 LEU 7 HD21 LEU 7 9.423 14.980 -5.038 59 HD22 LEU 7 HD22 LEU 7 10.908 15.868 -4.696 60 HD23 LEU 7 HD23 LEU 7 9.350 16.693 -4.626 61 H GLY 8 H GLY 8 12.467 11.614 -2.162 62 HA2 GLY 8 HA2 GLY 8 14.401 11.184 -0.727 63 HA3 GLY 8 HA3 GLY 8 14.067 12.718 0.062 64 H THR 9 H THR 9 11.525 10.488 -0.804 65 HA THR 9 HA THR 9 11.392 9.285 1.812 66 HB THR 9 HB THR 9 8.801 10.334 1.581 67 HG1 THR 9 HG1 THR 9 9.078 12.501 1.309 68 HG21 THR 9 HG21 THR 9 9.677 11.727 3.611 69 HG22 THR 9 HG22 THR 9 11.136 10.759 3.401 70 HG23 THR 9 HG23 THR 9 9.592 9.970 3.724 71 H TYR 10 H TYR 10 9.936 7.547 1.922 72 HA TYR 10 HA TYR 10 9.352 6.340 -0.614 73 HB2 TYR 10 HB2 TYR 10 9.898 5.370 1.900 74 HB3 TYR 10 HB3 TYR 10 8.169 5.074 1.753 75 HD1 TYR 10 HD1 TYR 10 7.793 2.856 1.250 76 HD2 TYR 10 HD2 TYR 10 11.006 4.873 -0.677 77 HE1 TYR 10 HE1 TYR 10 8.249 0.842 -0.086 78 HE2 TYR 10 HE2 TYR 10 11.469 2.865 -2.019 79 HH TYR 10 HH TYR 10 11.022 0.673 -2.268 80 H VAL 11 H VAL 11 7.927 8.447 -0.921 81 HA VAL 11 HA VAL 11 5.431 8.757 0.205 82 HB VAL 11 HB VAL 11 6.522 10.271 -1.494 83 HG11 VAL 11 HG11 VAL 11 5.294 8.333 -3.453 84 HG12 VAL 11 HG12 VAL 11 6.076 9.864 -3.849 85 HG13 VAL 11 HG13 VAL 11 7.021 8.541 -3.164 86 HG21 VAL 11 HG21 VAL 11 4.522 11.272 -1.992 87 HG22 VAL 11 HG22 VAL 11 3.731 9.748 -2.393 88 HG23 VAL 11 HG23 VAL 11 4.011 10.179 -0.706 89 H CYS 12 H CYS 12 3.355 8.028 -0.286 90 HA CYS 12 HA CYS 12 3.249 5.533 -1.852 91 HB2 CYS 12 HB2 CYS 12 1.283 6.106 0.331 92 HB3 CYS 12 HB3 CYS 12 1.835 4.556 -0.295 Start of MODEL 8 1 H1 ALA 1 H ALA 1 4.351 -1.401 0.522 2 HA ALA 1 HA ALA 1 2.588 -0.604 -1.646 3 HB1 ALA 1 HB1 ALA 1 2.053 0.507 1.093 4 HB2 ALA 1 HB2 ALA 1 1.074 0.657 -0.367 5 HB3 ALA 1 HB3 ALA 1 1.193 -0.897 0.460 6 H CYS 2 H CYS 2 2.402 2.016 -1.368 7 HA CYS 2 HA CYS 2 3.518 3.977 -1.650 8 HB2 CYS 2 HB2 CYS 2 5.350 2.798 0.451 9 HB3 CYS 2 HB3 CYS 2 5.339 4.485 -0.054 10 H PHE 3 H PHE 3 5.784 4.917 -2.179 11 HA PHE 3 HA PHE 3 7.563 3.014 -3.462 12 HB2 PHE 3 HB2 PHE 3 7.271 4.902 -5.472 13 HB3 PHE 3 HB3 PHE 3 6.631 3.262 -5.489 14 HD1 PHE 3 HD1 PHE 3 4.285 2.841 -4.907 15 HD2 PHE 3 HD2 PHE 3 5.848 6.791 -5.180 16 HE1 PHE 3 HE1 PHE 3 1.996 3.736 -5.019 17 HE2 PHE 3 HE2 PHE 3 3.562 7.692 -5.293 18 HZ PHE 3 HZ PHE 3 1.632 6.164 -5.211 19 H LEU 4 H LEU 4 9.639 3.751 -3.659 20 HA LEU 4 HA LEU 4 10.370 6.015 -2.095 21 HB2 LEU 4 HB2 LEU 4 11.962 4.366 -2.007 22 HB3 LEU 4 HB3 LEU 4 11.810 3.980 -3.720 23 HG LEU 4 HG LEU 4 13.029 6.085 -4.242 24 HD11 LEU 4 HD11 LEU 4 14.409 6.721 -1.999 25 HD12 LEU 4 HD12 LEU 4 12.815 6.374 -1.329 26 HD13 LEU 4 HD13 LEU 4 12.995 7.598 -2.585 27 HD21 LEU 4 HD21 LEU 4 14.180 3.794 -2.754 28 HD22 LEU 4 HD22 LEU 4 15.226 5.186 -3.040 29 HD23 LEU 4 HD23 LEU 4 14.483 4.346 -4.402 30 H THR 5 H THR 5 10.687 8.062 -2.682 31 HA THR 5 HA THR 5 10.812 8.678 -5.564 32 HB THR 5 HB THR 5 9.879 10.980 -4.721 33 HG1 THR 5 HG1 THR 5 9.481 10.886 -2.639 34 HG21 THR 5 HG21 THR 5 8.795 9.139 -6.186 35 HG22 THR 5 HG22 THR 5 7.752 10.342 -5.427 36 HG23 THR 5 HG23 THR 5 7.897 8.730 -4.726 37 H ARG 6 H ARG 6 12.169 10.365 -6.230 38 HA ARG 6 HA ARG 6 14.556 10.657 -4.703 39 HB2 ARG 6 HB2 ARG 6 13.628 12.026 -7.233 40 HB3 ARG 6 HB3 ARG 6 15.239 12.199 -6.548 41 HG2 ARG 6 HG2 ARG 6 15.580 10.582 -8.139 42 HG3 ARG 6 HG3 ARG 6 15.287 9.602 -6.700 43 HD2 ARG 6 HD2 ARG 6 12.873 10.324 -8.203 44 HD3 ARG 6 HD3 ARG 6 14.006 9.299 -9.084 45 HE ARG 6 HE ARG 6 12.411 8.565 -6.799 46 HH11 ARG 6 HH11 ARG 6 15.226 7.828 -8.709 47 HH12 ARG 6 HH12 ARG 6 15.283 6.166 -8.221 48 HH21 ARG 6 HH21 ARG 6 12.475 6.380 -6.148 49 HH22 ARG 6 HH22 ARG 6 13.717 5.344 -6.765 50 H LEU 7 H LEU 7 11.609 12.188 -4.502 51 HA LEU 7 HA LEU 7 12.462 14.859 -3.963 52 HB2 LEU 7 HB2 LEU 7 10.114 13.899 -4.615 53 HB3 LEU 7 HB3 LEU 7 9.926 13.727 -2.871 54 HG LEU 7 HG LEU 7 10.731 16.373 -3.994 55 HD11 LEU 7 HD11 LEU 7 8.138 16.778 -3.918 56 HD12 LEU 7 HD12 LEU 7 8.079 15.054 -4.285 57 HD13 LEU 7 HD13 LEU 7 8.919 16.159 -5.373 58 HD21 LEU 7 HD21 LEU 7 9.966 15.294 -1.468 59 HD22 LEU 7 HD22 LEU 7 8.781 16.505 -1.957 60 HD23 LEU 7 HD23 LEU 7 10.491 16.931 -1.862 61 H GLY 8 H GLY 8 12.196 11.946 -2.100 62 HA2 GLY 8 HA2 GLY 8 13.699 12.975 0.049 63 HA3 GLY 8 HA3 GLY 8 11.997 13.004 0.486 64 H THR 9 H THR 9 10.828 10.869 0.032 65 HA THR 9 HA THR 9 12.417 8.479 0.127 66 HB THR 9 HB THR 9 12.539 9.359 2.491 67 HG1 THR 9 HG1 THR 9 12.907 7.232 2.433 68 HG21 THR 9 HG21 THR 9 9.844 9.814 2.167 69 HG22 THR 9 HG22 THR 9 10.706 9.806 3.705 70 HG23 THR 9 HG23 THR 9 9.879 8.351 3.150 71 H TYR 10 H TYR 10 10.585 6.754 1.282 72 HA TYR 10 HA TYR 10 8.857 6.173 -0.787 73 HB2 TYR 10 HB2 TYR 10 9.262 5.248 1.941 74 HB3 TYR 10 HB3 TYR 10 7.570 5.158 1.463 75 HD1 TYR 10 HD1 TYR 10 7.202 2.869 1.170 76 HD2 TYR 10 HD2 TYR 10 10.601 4.677 -0.642 77 HE1 TYR 10 HE1 TYR 10 7.655 0.781 -0.048 78 HE2 TYR 10 HE2 TYR 10 11.063 2.594 -1.867 79 HH TYR 10 HH TYR 10 8.825 0.052 -2.080 80 H VAL 11 H VAL 11 6.978 6.961 -1.477 81 HA VAL 11 HA VAL 11 5.278 8.468 0.377 82 HB VAL 11 HB VAL 11 6.512 10.195 -0.746 83 HG11 VAL 11 HG11 VAL 11 5.633 8.990 -3.366 84 HG12 VAL 11 HG12 VAL 11 6.669 10.400 -3.136 85 HG13 VAL 11 HG13 VAL 11 7.241 8.799 -2.667 86 HG21 VAL 11 HG21 VAL 11 3.915 10.118 -2.239 87 HG22 VAL 11 HG22 VAL 11 3.946 10.307 -0.486 88 HG23 VAL 11 HG23 VAL 11 4.742 11.497 -1.515 89 H CYS 12 H CYS 12 3.132 8.157 0.094 90 HA CYS 12 HA CYS 12 2.244 6.743 -2.326 91 HB2 CYS 12 HB2 CYS 12 0.588 5.806 -0.295 92 HB3 CYS 12 HB3 CYS 12 1.874 4.908 -1.095 Start of MODEL 9 1 H1 ALA 1 H ALA 1 1.132 -0.669 -0.136 2 HA ALA 1 HA ALA 1 3.692 -1.331 -0.169 3 HB1 ALA 1 HB1 ALA 1 3.600 -0.790 -2.759 4 HB2 ALA 1 HB2 ALA 1 2.643 -2.090 -2.045 5 HB3 ALA 1 HB3 ALA 1 1.893 -0.532 -2.393 6 H CYS 2 H CYS 2 2.579 1.831 -1.371 7 HA CYS 2 HA CYS 2 3.648 3.819 -1.648 8 HB2 CYS 2 HB2 CYS 2 5.521 2.668 0.432 9 HB3 CYS 2 HB3 CYS 2 5.469 4.357 -0.062 10 H PHE 3 H PHE 3 5.889 4.815 -2.185 11 HA PHE 3 HA PHE 3 7.702 2.962 -3.494 12 HB2 PHE 3 HB2 PHE 3 7.353 4.852 -5.491 13 HB3 PHE 3 HB3 PHE 3 6.746 3.200 -5.511 14 HD1 PHE 3 HD1 PHE 3 5.895 6.710 -5.176 15 HD2 PHE 3 HD2 PHE 3 4.413 2.728 -4.915 16 HE1 PHE 3 HE1 PHE 3 3.590 7.565 -5.266 17 HE2 PHE 3 HE2 PHE 3 2.106 3.577 -5.005 18 HZ PHE 3 HZ PHE 3 1.691 5.998 -5.182 19 H LEU 4 H LEU 4 9.758 3.748 -3.699 20 HA LEU 4 HA LEU 4 10.447 6.020 -2.128 21 HB2 LEU 4 HB2 LEU 4 12.079 4.409 -2.062 22 HB3 LEU 4 HB3 LEU 4 11.923 4.029 -3.776 23 HG LEU 4 HG LEU 4 13.089 6.164 -4.295 24 HD11 LEU 4 HD11 LEU 4 13.073 7.678 -2.648 25 HD12 LEU 4 HD12 LEU 4 14.463 6.790 -2.025 26 HD13 LEU 4 HD13 LEU 4 12.850 6.457 -1.395 27 HD21 LEU 4 HD21 LEU 4 14.290 3.879 -2.853 28 HD22 LEU 4 HD22 LEU 4 15.308 5.301 -3.080 29 HD23 LEU 4 HD23 LEU 4 14.602 4.489 -4.478 30 H THR 5 H THR 5 10.773 8.075 -2.704 31 HA THR 5 HA THR 5 10.850 8.711 -5.582 32 HB THR 5 HB THR 5 9.853 10.980 -4.742 33 HG1 THR 5 HG1 THR 5 9.155 9.157 -2.670 34 HG21 THR 5 HG21 THR 5 8.803 9.111 -6.187 35 HG22 THR 5 HG22 THR 5 7.731 10.276 -5.410 36 HG23 THR 5 HG23 THR 5 7.941 8.669 -4.714 37 H ARG 6 H ARG 6 12.158 10.443 -6.238 38 HA ARG 6 HA ARG 6 14.540 10.783 -4.712 39 HB2 ARG 6 HB2 ARG 6 13.575 12.149 -7.230 40 HB3 ARG 6 HB3 ARG 6 15.182 12.353 -6.546 41 HG2 ARG 6 HG2 ARG 6 15.559 10.757 -8.150 42 HG3 ARG 6 HG3 ARG 6 15.288 9.759 -6.719 43 HD2 ARG 6 HD2 ARG 6 12.858 10.440 -8.215 44 HD3 ARG 6 HD3 ARG 6 14.013 9.449 -9.106 45 HE ARG 6 HE ARG 6 12.435 8.659 -6.828 46 HH11 ARG 6 HH11 ARG 6 15.267 8.002 -8.743 47 HH12 ARG 6 HH12 ARG 6 15.362 6.338 -8.269 48 HH21 ARG 6 HH21 ARG 6 12.548 6.470 -6.197 49 HH22 ARG 6 HH22 ARG 6 13.814 5.467 -6.822 50 H LEU 7 H LEU 7 11.555 12.235 -4.492 51 HA LEU 7 HA LEU 7 12.340 14.924 -3.937 52 HB2 LEU 7 HB2 LEU 7 10.017 13.910 -4.596 53 HB3 LEU 7 HB3 LEU 7 9.834 13.719 -2.853 54 HG LEU 7 HG LEU 7 10.654 16.368 -3.230 55 HD11 LEU 7 HD11 LEU 7 8.628 17.041 -4.723 56 HD12 LEU 7 HD12 LEU 7 8.824 15.419 -5.389 57 HD13 LEU 7 HD13 LEU 7 10.157 16.572 -5.468 58 HD21 LEU 7 HD21 LEU 7 9.187 16.096 -1.518 59 HD22 LEU 7 HD22 LEU 7 8.210 14.916 -2.393 60 HD23 LEU 7 HD23 LEU 7 8.049 16.636 -2.752 61 H GLY 8 H GLY 8 12.159 11.991 -2.099 62 HA2 GLY 8 HA2 GLY 8 13.633 13.039 0.058 63 HA3 GLY 8 HA3 GLY 8 11.931 13.025 0.496 64 H THR 9 H THR 9 10.813 10.866 0.028 65 HA THR 9 HA THR 9 12.455 8.513 0.100 66 HB THR 9 HB THR 9 12.571 9.379 2.471 67 HG1 THR 9 HG1 THR 9 12.666 7.335 3.104 68 HG21 THR 9 HG21 THR 9 9.906 9.845 2.196 69 HG22 THR 9 HG22 THR 9 10.738 9.701 3.744 70 HG23 THR 9 HG23 THR 9 9.897 8.310 3.062 71 H TYR 10 H TYR 10 10.669 6.739 1.253 72 HA TYR 10 HA TYR 10 8.942 6.134 -0.809 73 HB2 TYR 10 HB2 TYR 10 9.382 5.200 1.911 74 HB3 TYR 10 HB3 TYR 10 7.691 5.075 1.440 75 HD1 TYR 10 HD1 TYR 10 7.377 2.778 1.136 76 HD2 TYR 10 HD2 TYR 10 10.720 4.678 -0.685 77 HE1 TYR 10 HE1 TYR 10 7.872 0.709 -0.098 78 HE2 TYR 10 HE2 TYR 10 11.224 2.615 -1.925 79 HH TYR 10 HH TYR 10 10.306 0.601 -2.599 80 H VAL 11 H VAL 11 7.038 6.878 -1.480 81 HA VAL 11 HA VAL 11 5.318 8.338 0.393 82 HB VAL 11 HB VAL 11 6.510 10.095 -0.735 83 HG11 VAL 11 HG11 VAL 11 5.604 8.928 -3.361 84 HG12 VAL 11 HG12 VAL 11 6.670 10.312 -3.109 85 HG13 VAL 11 HG13 VAL 11 7.213 8.689 -2.680 86 HG21 VAL 11 HG21 VAL 11 3.948 10.153 -0.439 87 HG22 VAL 11 HG22 VAL 11 4.705 11.368 -1.469 88 HG23 VAL 11 HG23 VAL 11 3.895 9.979 -2.194 89 H CYS 12 H CYS 12 3.177 7.982 0.122 90 HA CYS 12 HA CYS 12 2.304 6.561 -2.298 91 HB2 CYS 12 HB2 CYS 12 0.686 5.572 -0.260 92 HB3 CYS 12 HB3 CYS 12 1.986 4.710 -1.076 Start of MODEL 10 1 H1 ALA 1 H ALA 1 3.056 -1.987 -1.771 2 HA ALA 1 HA ALA 1 2.016 -0.083 -1.085 3 HB1 ALA 1 HB1 ALA 1 3.238 -0.184 1.613 4 HB2 ALA 1 HB2 ALA 1 1.561 0.083 1.136 5 HB3 ALA 1 HB3 ALA 1 2.233 -1.548 1.121 6 H CYS 2 H CYS 2 2.407 2.072 -1.210 7 HA CYS 2 HA CYS 2 3.566 4.007 -1.501 8 HB2 CYS 2 HB2 CYS 2 5.372 2.786 0.597 9 HB3 CYS 2 HB3 CYS 2 5.417 4.468 0.081 10 H PHE 3 H PHE 3 5.809 4.908 -2.093 11 HA PHE 3 HA PHE 3 7.577 2.973 -3.340 12 HB2 PHE 3 HB2 PHE 3 7.253 4.795 -5.406 13 HB3 PHE 3 HB3 PHE 3 6.624 3.151 -5.364 14 HD1 PHE 3 HD1 PHE 3 4.288 2.731 -4.759 15 HD2 PHE 3 HD2 PHE 3 5.819 6.684 -5.142 16 HE1 PHE 3 HE1 PHE 3 1.991 3.606 -4.875 17 HE2 PHE 3 HE2 PHE 3 3.525 7.565 -5.258 18 HZ PHE 3 HZ PHE 3 1.607 6.026 -5.123 19 H LEU 4 H LEU 4 9.647 3.708 -3.572 20 HA LEU 4 HA LEU 4 10.375 6.041 -2.105 21 HB2 LEU 4 HB2 LEU 4 11.959 4.384 -1.941 22 HB3 LEU 4 HB3 LEU 4 11.826 3.943 -3.642 23 HG LEU 4 HG LEU 4 13.036 6.056 -4.206 24 HD11 LEU 4 HD11 LEU 4 14.421 6.672 -1.938 25 HD12 LEU 4 HD12 LEU 4 12.796 6.396 -1.312 26 HD13 LEU 4 HD13 LEU 4 13.060 7.592 -2.581 27 HD21 LEU 4 HD21 LEU 4 14.438 4.252 -4.342 28 HD22 LEU 4 HD22 LEU 4 14.217 3.810 -2.649 29 HD23 LEU 4 HD23 LEU 4 15.245 5.178 -3.076 30 H THR 5 H THR 5 10.898 8.039 -2.789 31 HA THR 5 HA THR 5 11.028 8.520 -5.691 32 HB THR 5 HB THR 5 9.980 10.836 -5.002 33 HG1 THR 5 HG1 THR 5 9.036 10.859 -3.104 34 HG21 THR 5 HG21 THR 5 7.903 10.094 -5.796 35 HG22 THR 5 HG22 THR 5 8.106 8.489 -5.093 36 HG23 THR 5 HG23 THR 5 9.058 8.963 -6.500 37 H ARG 6 H ARG 6 12.191 10.454 -6.312 38 HA ARG 6 HA ARG 6 14.571 10.804 -4.759 39 HB2 ARG 6 HB2 ARG 6 13.861 12.565 -7.076 40 HB3 ARG 6 HB3 ARG 6 15.434 11.947 -6.590 41 HG2 ARG 6 HG2 ARG 6 13.213 10.436 -7.942 42 HG3 ARG 6 HG3 ARG 6 14.797 10.848 -8.601 43 HD2 ARG 6 HD2 ARG 6 15.528 8.878 -7.878 44 HD3 ARG 6 HD3 ARG 6 15.324 9.474 -6.231 45 HE ARG 6 HE ARG 6 12.861 8.606 -6.793 46 HH11 ARG 6 HH11 ARG 6 15.980 7.130 -7.261 47 HH12 ARG 6 HH12 ARG 6 15.386 5.513 -7.080 48 HH21 ARG 6 HH21 ARG 6 12.068 6.481 -6.552 49 HH22 ARG 6 HH22 ARG 6 13.161 5.144 -6.678 50 H LEU 7 H LEU 7 11.562 12.107 -4.461 51 HA LEU 7 HA LEU 7 12.214 14.841 -3.940 52 HB2 LEU 7 HB2 LEU 7 9.925 13.651 -4.505 53 HB3 LEU 7 HB3 LEU 7 9.811 13.549 -2.749 54 HG LEU 7 HG LEU 7 10.491 16.216 -3.358 55 HD11 LEU 7 HD11 LEU 7 8.274 15.149 -5.096 56 HD12 LEU 7 HD12 LEU 7 9.777 15.898 -5.632 57 HD13 LEU 7 HD13 LEU 7 8.570 16.858 -4.778 58 HD21 LEU 7 HD21 LEU 7 9.130 15.301 -1.474 59 HD22 LEU 7 HD22 LEU 7 7.796 15.097 -2.609 60 HD23 LEU 7 HD23 LEU 7 8.424 16.709 -2.267 61 H GLY 8 H GLY 8 12.222 11.906 -2.088 62 HA2 GLY 8 HA2 GLY 8 13.760 12.942 -0.006 63 HA3 GLY 8 HA3 GLY 8 12.081 13.029 0.504 64 H THR 9 H THR 9 10.853 10.876 0.000 65 HA THR 9 HA THR 9 12.398 8.470 0.163 66 HB THR 9 HB THR 9 10.788 8.370 2.531 67 HG1 THR 9 HG1 THR 9 11.295 10.168 3.529 68 HG21 THR 9 HG21 THR 9 12.500 6.861 2.549 69 HG22 THR 9 HG22 THR 9 13.279 8.159 3.454 70 HG23 THR 9 HG23 THR 9 13.619 7.955 1.736 71 H TYR 10 H TYR 10 10.612 6.732 1.243 72 HA TYR 10 HA TYR 10 8.849 6.167 -0.770 73 HB2 TYR 10 HB2 TYR 10 9.216 5.297 1.990 74 HB3 TYR 10 HB3 TYR 10 7.539 5.190 1.469 75 HD1 TYR 10 HD1 TYR 10 10.575 4.707 -0.614 76 HD2 TYR 10 HD2 TYR 10 7.238 2.868 1.279 77 HE1 TYR 10 HE1 TYR 10 11.079 2.603 -1.783 78 HE2 TYR 10 HE2 TYR 10 7.733 0.758 0.116 79 HH TYR 10 HH TYR 10 8.895 -0.087 -1.748 80 H VAL 11 H VAL 11 6.989 6.978 -1.481 81 HA VAL 11 HA VAL 11 5.316 8.553 0.347 82 HB VAL 11 HB VAL 11 6.555 10.226 -0.846 83 HG11 VAL 11 HG11 VAL 11 7.269 8.767 -2.716 84 HG12 VAL 11 HG12 VAL 11 5.656 8.924 -3.413 85 HG13 VAL 11 HG13 VAL 11 6.688 10.345 -3.248 86 HG21 VAL 11 HG21 VAL 11 3.948 10.118 -2.319 87 HG22 VAL 11 HG22 VAL 11 3.995 10.377 -0.575 88 HG23 VAL 11 HG23 VAL 11 4.794 11.517 -1.657 89 H CYS 12 H CYS 12 3.187 8.170 0.155 90 HA CYS 12 HA CYS 12 2.235 6.740 -2.234 91 HB2 CYS 12 HB2 CYS 12 0.632 5.823 -0.154 92 HB3 CYS 12 HB3 CYS 12 1.908 4.921 -0.966 Start of MODEL 11 1 H1 ALA 1 H ALA 1 2.081 0.202 -2.165 2 HA ALA 1 HA ALA 1 2.391 -0.250 0.410 3 HB1 ALA 1 HB1 ALA 1 3.187 -2.559 -0.226 4 HB2 ALA 1 HB2 ALA 1 4.675 -1.797 -0.790 5 HB3 ALA 1 HB3 ALA 1 4.211 -1.677 0.908 6 H CYS 2 H CYS 2 2.541 1.939 -1.127 7 HA CYS 2 HA CYS 2 3.663 3.893 -1.433 8 HB2 CYS 2 HB2 CYS 2 5.509 2.711 0.653 9 HB3 CYS 2 HB3 CYS 2 5.519 4.393 0.132 10 H PHE 3 H PHE 3 5.886 4.831 -2.045 11 HA PHE 3 HA PHE 3 7.677 2.924 -3.301 12 HB2 PHE 3 HB2 PHE 3 7.304 4.734 -5.370 13 HB3 PHE 3 HB3 PHE 3 6.705 3.080 -5.318 14 HD1 PHE 3 HD1 PHE 3 5.839 6.598 -5.096 15 HD2 PHE 3 HD2 PHE 3 4.381 2.619 -4.696 16 HE1 PHE 3 HE1 PHE 3 3.529 7.439 -5.195 17 HE2 PHE 3 HE2 PHE 3 2.069 3.453 -4.795 18 HZ PHE 3 HZ PHE 3 1.640 5.865 -5.046 19 H LEU 4 H LEU 4 9.732 3.696 -3.555 20 HA LEU 4 HA LEU 4 10.431 6.044 -2.099 21 HB2 LEU 4 HB2 LEU 4 12.049 4.419 -1.948 22 HB3 LEU 4 HB3 LEU 4 11.905 3.970 -3.647 23 HG LEU 4 HG LEU 4 13.071 6.101 -4.231 24 HD11 LEU 4 HD11 LEU 4 14.080 7.450 -2.619 25 HD12 LEU 4 HD12 LEU 4 13.856 6.255 -1.342 26 HD13 LEU 4 HD13 LEU 4 12.468 7.143 -1.970 27 HD21 LEU 4 HD21 LEU 4 14.507 4.326 -4.374 28 HD22 LEU 4 HD22 LEU 4 14.306 3.882 -2.679 29 HD23 LEU 4 HD23 LEU 4 15.306 5.268 -3.116 30 H THR 5 H THR 5 10.920 8.050 -2.790 31 HA THR 5 HA THR 5 11.004 8.530 -5.694 32 HB THR 5 HB THR 5 9.931 10.831 -4.992 33 HG1 THR 5 HG1 THR 5 9.239 9.057 -2.891 34 HG21 THR 5 HG21 THR 5 7.855 10.057 -5.758 35 HG22 THR 5 HG22 THR 5 8.093 8.455 -5.059 36 HG23 THR 5 HG23 THR 5 9.018 8.945 -6.478 37 H ARG 6 H ARG 6 12.128 10.482 -6.331 38 HA ARG 6 HA ARG 6 14.524 10.869 -4.809 39 HB2 ARG 6 HB2 ARG 6 13.759 12.615 -7.119 40 HB3 ARG 6 HB3 ARG 6 15.347 12.021 -6.653 41 HG2 ARG 6 HG2 ARG 6 13.131 10.475 -7.973 42 HG3 ARG 6 HG3 ARG 6 14.700 10.910 -8.655 43 HD2 ARG 6 HD2 ARG 6 15.470 8.952 -7.938 44 HD3 ARG 6 HD3 ARG 6 15.278 9.547 -6.289 45 HE ARG 6 HE ARG 6 12.822 8.641 -6.821 46 HH11 ARG 6 HH11 ARG 6 15.958 7.213 -7.322 47 HH12 ARG 6 HH12 ARG 6 15.392 5.587 -7.131 48 HH21 ARG 6 HH21 ARG 6 12.065 6.504 -6.568 49 HH22 ARG 6 HH22 ARG 6 13.178 5.184 -6.703 50 H LEU 7 H LEU 7 11.501 12.124 -4.470 51 HA LEU 7 HA LEU 7 12.118 14.870 -3.963 52 HB2 LEU 7 HB2 LEU 7 9.841 13.651 -4.501 53 HB3 LEU 7 HB3 LEU 7 9.750 13.540 -2.744 54 HG LEU 7 HG LEU 7 10.371 16.229 -3.694 55 HD11 LEU 7 HD11 LEU 7 8.103 16.694 -4.516 56 HD12 LEU 7 HD12 LEU 7 7.742 14.969 -4.465 57 HD13 LEU 7 HD13 LEU 7 8.977 15.579 -5.566 58 HD21 LEU 7 HD21 LEU 7 8.542 14.894 -1.750 59 HD22 LEU 7 HD22 LEU 7 8.243 16.568 -2.218 60 HD23 LEU 7 HD23 LEU 7 9.778 16.121 -1.473 61 H GLY 8 H GLY 8 12.187 11.938 -2.106 62 HA2 GLY 8 HA2 GLY 8 13.738 12.999 -0.045 63 HA3 GLY 8 HA3 GLY 8 12.064 13.064 0.485 64 H THR 9 H THR 9 10.861 10.892 -0.008 65 HA THR 9 HA THR 9 12.443 8.509 0.146 66 HB THR 9 HB THR 9 10.855 8.388 2.527 67 HG1 THR 9 HG1 THR 9 11.158 10.341 3.277 68 HG21 THR 9 HG21 THR 9 12.592 6.906 2.530 69 HG22 THR 9 HG22 THR 9 13.353 8.216 3.433 70 HG23 THR 9 HG23 THR 9 13.687 8.020 1.713 71 H TYR 10 H TYR 10 10.693 6.746 1.244 72 HA TYR 10 HA TYR 10 8.922 6.151 -0.754 73 HB2 TYR 10 HB2 TYR 10 9.322 5.293 2.006 74 HB3 TYR 10 HB3 TYR 10 7.644 5.157 1.495 75 HD1 TYR 10 HD1 TYR 10 10.674 4.719 -0.606 76 HD2 TYR 10 HD2 TYR 10 7.380 2.830 1.312 77 HE1 TYR 10 HE1 TYR 10 11.205 2.621 -1.774 78 HE2 TYR 10 HE2 TYR 10 7.902 0.727 0.151 79 HH TYR 10 HH TYR 10 10.586 0.524 -2.166 80 H VAL 11 H VAL 11 7.030 6.911 -1.442 81 HA VAL 11 HA VAL 11 5.353 8.470 0.393 82 HB VAL 11 HB VAL 11 6.553 10.163 -0.810 83 HG11 VAL 11 HG11 VAL 11 5.654 8.859 -3.375 84 HG12 VAL 11 HG12 VAL 11 6.688 10.279 -3.205 85 HG13 VAL 11 HG13 VAL 11 7.269 8.697 -2.685 86 HG21 VAL 11 HG21 VAL 11 3.998 10.278 -0.521 87 HG22 VAL 11 HG22 VAL 11 4.766 11.422 -1.622 88 HG23 VAL 11 HG23 VAL 11 3.935 10.004 -2.262 89 H CYS 12 H CYS 12 3.230 8.049 0.221 90 HA CYS 12 HA CYS 12 2.283 6.602 -2.160 91 HB2 CYS 12 HB2 CYS 12 0.710 5.663 -0.067 92 HB3 CYS 12 HB3 CYS 12 1.995 4.780 -0.886 Start of MODEL 12 1 H1 ALA 1 H ALA 1 2.083 -0.372 -2.290 2 HA ALA 1 HA ALA 1 2.116 -0.057 0.093 3 HB1 ALA 1 HB1 ALA 1 3.548 -1.232 1.502 4 HB2 ALA 1 HB2 ALA 1 3.111 -2.422 0.275 5 HB3 ALA 1 HB3 ALA 1 4.675 -1.612 0.199 6 H CYS 2 H CYS 2 2.500 1.979 -1.118 7 HA CYS 2 HA CYS 2 3.631 3.927 -1.428 8 HB2 CYS 2 HB2 CYS 2 5.469 2.742 0.662 9 HB3 CYS 2 HB3 CYS 2 5.488 4.422 0.137 10 H PHE 3 H PHE 3 5.860 4.854 -2.040 11 HA PHE 3 HA PHE 3 7.642 2.936 -3.291 12 HB2 PHE 3 HB2 PHE 3 7.280 4.743 -5.364 13 HB3 PHE 3 HB3 PHE 3 6.671 3.092 -5.308 14 HD1 PHE 3 HD1 PHE 3 5.826 6.616 -5.096 15 HD2 PHE 3 HD2 PHE 3 4.344 2.647 -4.685 16 HE1 PHE 3 HE1 PHE 3 3.521 7.470 -5.198 17 HE2 PHE 3 HE2 PHE 3 2.037 3.494 -4.788 18 HZ PHE 3 HZ PHE 3 1.623 5.908 -5.046 19 H LEU 4 H LEU 4 9.701 3.697 -3.543 20 HA LEU 4 HA LEU 4 10.411 6.043 -2.091 21 HB2 LEU 4 HB2 LEU 4 12.021 4.410 -1.938 22 HB3 LEU 4 HB3 LEU 4 11.875 3.960 -3.636 23 HG LEU 4 HG LEU 4 13.053 6.082 -4.224 24 HD11 LEU 4 HD11 LEU 4 12.449 7.122 -1.954 25 HD12 LEU 4 HD12 LEU 4 14.049 7.443 -2.622 26 HD13 LEU 4 HD13 LEU 4 13.852 6.246 -1.341 27 HD21 LEU 4 HD21 LEU 4 14.480 4.299 -4.357 28 HD22 LEU 4 HD22 LEU 4 14.277 3.865 -2.660 29 HD23 LEU 4 HD23 LEU 4 15.282 5.245 -3.103 30 H THR 5 H THR 5 10.913 8.045 -2.784 31 HA THR 5 HA THR 5 10.997 8.521 -5.689 32 HB THR 5 HB THR 5 9.940 10.830 -4.987 33 HG1 THR 5 HG1 THR 5 9.910 10.184 -2.717 34 HG21 THR 5 HG21 THR 5 7.860 10.071 -5.755 35 HG22 THR 5 HG22 THR 5 8.085 8.468 -5.055 36 HG23 THR 5 HG23 THR 5 9.015 8.949 -6.473 37 H ARG 6 H ARG 6 12.132 10.466 -6.329 38 HA ARG 6 HA ARG 6 14.531 10.841 -4.809 39 HB2 ARG 6 HB2 ARG 6 13.779 12.586 -7.124 40 HB3 ARG 6 HB3 ARG 6 15.362 11.980 -6.656 41 HG2 ARG 6 HG2 ARG 6 13.135 10.448 -7.971 42 HG3 ARG 6 HG3 ARG 6 14.706 10.870 -8.656 43 HD2 ARG 6 HD2 ARG 6 15.466 8.910 -7.934 44 HD3 ARG 6 HD3 ARG 6 15.275 9.509 -6.286 45 HE ARG 6 HE ARG 6 12.815 8.616 -6.819 46 HH11 ARG 6 HH11 ARG 6 15.943 7.169 -7.312 47 HH12 ARG 6 HH12 ARG 6 15.368 5.547 -7.119 48 HH21 ARG 6 HH21 ARG 6 12.045 6.484 -6.563 49 HH22 ARG 6 HH22 ARG 6 13.150 5.158 -6.693 50 H LEU 7 H LEU 7 11.517 12.114 -4.471 51 HA LEU 7 HA LEU 7 12.153 14.858 -3.972 52 HB2 LEU 7 HB2 LEU 7 9.854 13.522 -4.428 53 HB3 LEU 7 HB3 LEU 7 9.780 13.683 -2.674 54 HG LEU 7 HG LEU 7 8.550 15.467 -3.806 55 HD11 LEU 7 HD11 LEU 7 9.268 17.173 -2.432 56 HD12 LEU 7 HD12 LEU 7 10.972 16.774 -2.647 57 HD13 LEU 7 HD13 LEU 7 9.949 15.754 -1.636 58 HD21 LEU 7 HD21 LEU 7 10.311 15.401 -5.761 59 HD22 LEU 7 HD22 LEU 7 11.087 16.663 -4.804 60 HD23 LEU 7 HD23 LEU 7 9.432 16.880 -5.375 61 H GLY 8 H GLY 8 12.197 11.929 -2.108 62 HA2 GLY 8 HA2 GLY 8 13.753 12.986 -0.046 63 HA3 GLY 8 HA3 GLY 8 12.078 13.059 0.481 64 H THR 9 H THR 9 10.864 10.894 -0.007 65 HA THR 9 HA THR 9 12.434 8.503 0.151 66 HB THR 9 HB THR 9 10.843 8.394 2.531 67 HG1 THR 9 HG1 THR 9 11.684 10.057 3.703 68 HG21 THR 9 HG21 THR 9 12.575 6.902 2.526 69 HG22 THR 9 HG22 THR 9 13.332 8.203 3.445 70 HG23 THR 9 HG23 THR 9 13.680 8.019 1.726 71 H TYR 10 H TYR 10 10.674 6.751 1.250 72 HA TYR 10 HA TYR 10 8.903 6.162 -0.749 73 HB2 TYR 10 HB2 TYR 10 9.296 5.306 2.012 74 HB3 TYR 10 HB3 TYR 10 7.617 5.178 1.500 75 HD1 TYR 10 HD1 TYR 10 7.342 2.852 1.323 76 HD2 TYR 10 HD2 TYR 10 10.648 4.720 -0.596 77 HE1 TYR 10 HE1 TYR 10 7.853 0.743 0.165 78 HE2 TYR 10 HE2 TYR 10 11.168 2.617 -1.760 79 HH TYR 10 HH TYR 10 10.393 -0.168 -0.960 80 H VAL 11 H VAL 11 7.015 6.930 -1.440 81 HA VAL 11 HA VAL 11 5.344 8.501 0.390 82 HB VAL 11 HB VAL 11 6.554 10.185 -0.815 83 HG11 VAL 11 HG11 VAL 11 7.283 8.739 -2.684 84 HG12 VAL 11 HG12 VAL 11 5.661 8.852 -3.369 85 HG13 VAL 11 HG13 VAL 11 6.661 10.298 -3.223 86 HG21 VAL 11 HG21 VAL 11 4.005 10.322 -0.524 87 HG22 VAL 11 HG22 VAL 11 4.773 11.449 -1.641 88 HG23 VAL 11 HG23 VAL 11 3.931 10.029 -2.262 89 H CYS 12 H CYS 12 3.218 8.093 0.215 90 HA CYS 12 HA CYS 12 2.266 6.644 -2.162 91 HB2 CYS 12 HB2 CYS 12 0.687 5.718 -0.068 92 HB3 CYS 12 HB3 CYS 12 1.967 4.826 -0.885 Start of MODEL 13 1 H1 ALA 1 H ALA 1 0.089 0.028 -0.572 2 HA ALA 1 HA ALA 1 2.800 -0.590 -0.854 3 HB1 ALA 1 HB1 ALA 1 1.994 0.146 -3.388 4 HB2 ALA 1 HB2 ALA 1 1.848 -1.460 -2.672 5 HB3 ALA 1 HB3 ALA 1 0.492 -0.335 -2.598 6 H CYS 2 H CYS 2 4.321 0.869 -0.313 7 HA CYS 2 HA CYS 2 4.080 3.613 -1.317 8 HB2 CYS 2 HB2 CYS 2 5.948 2.413 0.738 9 HB3 CYS 2 HB3 CYS 2 5.954 4.103 0.244 10 H PHE 3 H PHE 3 6.193 4.639 -2.010 11 HA PHE 3 HA PHE 3 8.074 2.818 -3.273 12 HB2 PHE 3 HB2 PHE 3 7.575 4.615 -5.333 13 HB3 PHE 3 HB3 PHE 3 7.080 2.926 -5.281 14 HD1 PHE 3 HD1 PHE 3 6.002 6.379 -5.073 15 HD2 PHE 3 HD2 PHE 3 4.798 2.325 -4.594 16 HE1 PHE 3 HE1 PHE 3 3.643 7.076 -5.140 17 HE2 PHE 3 HE2 PHE 3 2.437 3.015 -4.662 18 HZ PHE 3 HZ PHE 3 1.857 5.392 -4.936 19 H LEU 4 H LEU 4 10.088 3.674 -3.494 20 HA LEU 4 HA LEU 4 10.679 6.069 -2.076 21 HB2 LEU 4 HB2 LEU 4 12.369 4.517 -1.918 22 HB3 LEU 4 HB3 LEU 4 12.246 4.056 -3.614 23 HG LEU 4 HG LEU 4 13.310 6.238 -4.206 24 HD11 LEU 4 HD11 LEU 4 12.982 6.649 -1.362 25 HD12 LEU 4 HD12 LEU 4 13.365 7.808 -2.635 26 HD13 LEU 4 HD13 LEU 4 14.655 6.881 -1.869 27 HD21 LEU 4 HD21 LEU 4 14.656 4.095 -2.634 28 HD22 LEU 4 HD22 LEU 4 15.584 5.520 -3.102 29 HD23 LEU 4 HD23 LEU 4 14.821 4.519 -4.338 30 H THR 5 H THR 5 11.039 8.091 -2.784 31 HA THR 5 HA THR 5 11.114 8.549 -5.692 32 HB THR 5 HB THR 5 9.915 10.796 -5.010 33 HG1 THR 5 HG1 THR 5 9.343 10.740 -2.973 34 HG21 THR 5 HG21 THR 5 7.893 9.908 -5.792 35 HG22 THR 5 HG22 THR 5 8.204 8.328 -5.075 36 HG23 THR 5 HG23 THR 5 9.117 8.849 -6.490 37 H ARG 6 H ARG 6 12.139 10.547 -6.345 38 HA ARG 6 HA ARG 6 14.498 11.083 -4.811 39 HB2 ARG 6 HB2 ARG 6 13.662 12.754 -7.151 40 HB3 ARG 6 HB3 ARG 6 15.274 12.249 -6.665 41 HG2 ARG 6 HG2 ARG 6 13.152 10.572 -7.978 42 HG3 ARG 6 HG3 ARG 6 14.699 11.081 -8.657 43 HD2 ARG 6 HD2 ARG 6 15.576 9.182 -7.905 44 HD3 ARG 6 HD3 ARG 6 15.326 9.780 -6.265 45 HE ARG 6 HE ARG 6 12.933 8.730 -6.822 46 HH11 ARG 6 HH11 ARG 6 16.151 7.479 -7.268 47 HH12 ARG 6 HH12 ARG 6 15.676 5.825 -7.069 48 HH21 ARG 6 HH21 ARG 6 12.295 6.556 -6.559 49 HH22 ARG 6 HH22 ARG 6 13.482 5.301 -6.667 50 H LEU 7 H LEU 7 11.408 12.179 -4.515 51 HA LEU 7 HA LEU 7 11.903 14.959 -4.019 52 HB2 LEU 7 HB2 LEU 7 9.679 13.513 -4.547 53 HB3 LEU 7 HB3 LEU 7 9.537 13.698 -2.801 54 HG LEU 7 HG LEU 7 8.275 15.411 -4.005 55 HD11 LEU 7 HD11 LEU 7 8.854 17.147 -2.617 56 HD12 LEU 7 HD12 LEU 7 10.584 16.865 -2.802 57 HD13 LEU 7 HD13 LEU 7 9.619 15.785 -1.796 58 HD21 LEU 7 HD21 LEU 7 10.316 17.117 -4.926 59 HD22 LEU 7 HD22 LEU 7 9.085 16.284 -5.877 60 HD23 LEU 7 HD23 LEU 7 10.651 15.520 -5.596 61 H GLY 8 H GLY 8 12.042 12.036 -2.163 62 HA2 GLY 8 HA2 GLY 8 13.438 13.198 -0.034 63 HA3 GLY 8 HA3 GLY 8 11.743 13.112 0.425 64 H THR 9 H THR 9 10.723 10.895 0.023 65 HA THR 9 HA THR 9 12.470 8.621 0.115 66 HB THR 9 HB THR 9 10.932 8.386 2.523 67 HG1 THR 9 HG1 THR 9 11.143 10.702 2.565 68 HG21 THR 9 HG21 THR 9 12.796 7.332 3.202 69 HG22 THR 9 HG22 THR 9 13.829 8.698 2.782 70 HG23 THR 9 HG23 THR 9 13.349 7.541 1.542 71 H TYR 10 H TYR 10 10.860 6.740 1.239 72 HA TYR 10 HA TYR 10 9.105 6.026 -0.733 73 HB2 TYR 10 HB2 TYR 10 9.591 5.205 2.027 74 HB3 TYR 10 HB3 TYR 10 7.923 4.948 1.526 75 HD1 TYR 10 HD1 TYR 10 7.829 2.606 1.355 76 HD2 TYR 10 HD2 TYR 10 10.963 4.725 -0.593 77 HE1 TYR 10 HE1 TYR 10 8.494 0.543 0.194 78 HE2 TYR 10 HE2 TYR 10 11.636 2.667 -1.761 79 HH TYR 10 HH TYR 10 9.978 0.241 -2.318 80 H VAL 11 H VAL 11 7.302 6.899 -1.481 81 HA VAL 11 HA VAL 11 5.509 8.285 0.400 82 HB VAL 11 HB VAL 11 6.596 10.018 -0.853 83 HG11 VAL 11 HG11 VAL 11 6.640 10.100 -3.267 84 HG12 VAL 11 HG12 VAL 11 7.373 8.592 -2.717 85 HG13 VAL 11 HG13 VAL 11 5.733 8.592 -3.366 86 HG21 VAL 11 HG21 VAL 11 3.967 9.703 -2.255 87 HG22 VAL 11 HG22 VAL 11 4.039 9.996 -0.517 88 HG23 VAL 11 HG23 VAL 11 4.730 11.168 -1.639 89 H CYS 12 H CYS 12 3.420 7.717 0.294 90 HA CYS 12 HA CYS 12 2.497 6.207 -2.056 91 HB2 CYS 12 HB2 CYS 12 1.044 5.185 0.086 92 HB3 CYS 12 HB3 CYS 12 2.351 4.376 -0.772 Start of MODEL 14 1 H1 ALA 1 H ALA 1 0.960 -0.835 -0.415 2 HA ALA 1 HA ALA 1 3.037 -0.481 0.972 3 HB1 ALA 1 HB1 ALA 1 4.907 -1.551 0.408 4 HB2 ALA 1 HB2 ALA 1 3.920 -2.481 -0.720 5 HB3 ALA 1 HB3 ALA 1 4.779 -1.045 -1.277 6 H CYS 2 H CYS 2 4.894 1.086 0.099 7 HA CYS 2 HA CYS 2 3.518 3.054 -1.601 8 HB2 CYS 2 HB2 CYS 2 5.482 3.357 0.661 9 HB3 CYS 2 HB3 CYS 2 5.192 4.664 -0.484 10 H PHE 3 H PHE 3 5.418 4.694 -2.415 11 HA PHE 3 HA PHE 3 7.429 3.013 -3.757 12 HB2 PHE 3 HB2 PHE 3 7.026 5.015 -5.561 13 HB3 PHE 3 HB3 PHE 3 6.252 3.436 -5.641 14 HD1 PHE 3 HD1 PHE 3 5.793 6.979 -5.007 15 HD2 PHE 3 HD2 PHE 3 3.930 3.154 -4.912 16 HE1 PHE 3 HE1 PHE 3 3.587 8.061 -4.868 17 HE2 PHE 3 HE2 PHE 3 1.721 4.229 -4.774 18 HZ PHE 3 HZ PHE 3 1.548 6.686 -4.752 19 H LEU 4 H LEU 4 9.449 3.912 -4.086 20 HA LEU 4 HA LEU 4 10.136 6.075 -2.306 21 HB2 LEU 4 HB2 LEU 4 11.734 4.413 -2.271 22 HB3 LEU 4 HB3 LEU 4 11.646 4.149 -4.011 23 HG LEU 4 HG LEU 4 12.839 6.309 -4.338 24 HD11 LEU 4 HD11 LEU 4 13.141 7.730 -2.666 25 HD12 LEU 4 HD12 LEU 4 13.996 6.502 -1.733 26 HD13 LEU 4 HD13 LEU 4 12.243 6.642 -1.606 27 HD21 LEU 4 HD21 LEU 4 14.165 4.146 -2.715 28 HD22 LEU 4 HD22 LEU 4 15.046 5.455 -3.503 29 HD23 LEU 4 HD23 LEU 4 14.119 4.307 -4.471 30 H THR 5 H THR 5 10.971 8.072 -2.860 31 HA THR 5 HA THR 5 10.936 8.801 -5.706 32 HB THR 5 HB THR 5 9.946 11.044 -4.968 33 HG1 THR 5 HG1 THR 5 9.814 11.091 -2.831 34 HG21 THR 5 HG21 THR 5 8.018 8.769 -4.622 35 HG22 THR 5 HG22 THR 5 8.777 9.094 -6.181 36 HG23 THR 5 HG23 THR 5 7.768 10.322 -5.418 37 H ARG 6 H ARG 6 12.264 10.577 -6.271 38 HA ARG 6 HA ARG 6 14.628 10.796 -4.667 39 HB2 ARG 6 HB2 ARG 6 13.817 12.220 -7.208 40 HB3 ARG 6 HB3 ARG 6 15.411 12.313 -6.472 41 HG2 ARG 6 HG2 ARG 6 15.736 10.716 -8.086 42 HG3 ARG 6 HG3 ARG 6 15.357 9.719 -6.679 43 HD2 ARG 6 HD2 ARG 6 13.017 10.568 -8.223 44 HD3 ARG 6 HD3 ARG 6 14.137 9.540 -9.116 45 HE ARG 6 HE ARG 6 12.419 8.756 -6.965 46 HH11 ARG 6 HH11 ARG 6 15.425 8.068 -8.582 47 HH12 ARG 6 HH12 ARG 6 15.457 6.406 -8.094 48 HH21 ARG 6 HH21 ARG 6 12.450 6.569 -6.317 49 HH22 ARG 6 HH22 ARG 6 13.764 5.554 -6.807 50 H LEU 7 H LEU 7 11.698 12.260 -4.421 51 HA LEU 7 HA LEU 7 12.529 14.955 -3.885 52 HB2 LEU 7 HB2 LEU 7 10.205 14.021 -4.624 53 HB3 LEU 7 HB3 LEU 7 9.961 13.797 -2.893 54 HG LEU 7 HG LEU 7 10.585 16.310 -2.732 55 HD11 LEU 7 HD11 LEU 7 9.693 17.479 -4.838 56 HD12 LEU 7 HD12 LEU 7 10.035 15.955 -5.656 57 HD13 LEU 7 HD13 LEU 7 11.338 16.845 -4.868 58 HD21 LEU 7 HD21 LEU 7 8.031 16.521 -3.869 59 HD22 LEU 7 HD22 LEU 7 8.439 16.306 -2.166 60 HD23 LEU 7 HD23 LEU 7 8.127 14.899 -3.184 61 H GLY 8 H GLY 8 12.134 12.026 -2.047 62 HA2 GLY 8 HA2 GLY 8 13.584 13.052 0.161 63 HA3 GLY 8 HA3 GLY 8 11.867 13.027 0.535 64 H THR 9 H THR 9 10.786 10.856 -0.059 65 HA THR 9 HA THR 9 12.374 8.498 -0.010 66 HB THR 9 HB THR 9 12.637 9.319 2.363 67 HG1 THR 9 HG1 THR 9 12.966 7.153 2.032 68 HG21 THR 9 HG21 THR 9 10.865 9.418 3.840 69 HG22 THR 9 HG22 THR 9 9.854 8.353 2.863 70 HG23 THR 9 HG23 THR 9 10.114 10.024 2.365 71 H TYR 10 H TYR 10 10.613 6.744 1.227 72 HA TYR 10 HA TYR 10 8.757 6.220 -0.757 73 HB2 TYR 10 HB2 TYR 10 9.399 5.163 1.861 74 HB3 TYR 10 HB3 TYR 10 7.663 5.120 1.573 75 HD1 TYR 10 HD1 TYR 10 7.255 2.833 1.254 76 HD2 TYR 10 HD2 TYR 10 10.393 4.717 -0.916 77 HE1 TYR 10 HE1 TYR 10 7.528 0.800 -0.104 78 HE2 TYR 10 HE2 TYR 10 10.674 2.690 -2.280 79 HH TYR 10 HH TYR 10 8.518 -0.091 -1.906 80 H VAL 11 H VAL 11 7.091 7.413 -1.380 81 HA VAL 11 HA VAL 11 5.312 8.535 0.670 82 HB VAL 11 HB VAL 11 6.509 10.461 0.036 83 HG11 VAL 11 HG11 VAL 11 6.156 9.670 -2.854 84 HG12 VAL 11 HG12 VAL 11 7.016 11.087 -2.248 85 HG13 VAL 11 HG13 VAL 11 7.637 9.469 -1.918 86 HG21 VAL 11 HG21 VAL 11 4.091 10.440 -1.764 87 HG22 VAL 11 HG22 VAL 11 4.030 10.672 -0.017 88 HG23 VAL 11 HG23 VAL 11 4.864 11.847 -1.034 89 H CYS 12 H CYS 12 3.631 7.167 0.355 90 HA CYS 12 HA CYS 12 2.775 5.987 -1.981 91 HB2 CYS 12 HB2 CYS 12 1.509 6.653 0.613 92 HB3 CYS 12 HB3 CYS 12 0.409 6.306 -0.716 Start of MODEL 15 1 H1 ALA 1 H ALA 1 0.735 1.429 -0.234 2 HA ALA 1 HA ALA 1 2.726 -0.391 -1.068 3 HB1 ALA 1 HB1 ALA 1 2.435 -0.201 -3.510 4 HB2 ALA 1 HB2 ALA 1 1.113 -1.074 -2.733 5 HB3 ALA 1 HB3 ALA 1 0.886 0.599 -3.242 6 H CYS 2 H CYS 2 4.290 0.972 -0.409 7 HA CYS 2 HA CYS 2 4.237 3.756 -1.311 8 HB2 CYS 2 HB2 CYS 2 6.031 2.375 0.697 9 HB3 CYS 2 HB3 CYS 2 6.069 4.093 0.314 10 H PHE 3 H PHE 3 6.368 4.706 -1.973 11 HA PHE 3 HA PHE 3 8.232 2.867 -3.222 12 HB2 PHE 3 HB2 PHE 3 7.727 4.712 -5.275 13 HB3 PHE 3 HB3 PHE 3 7.337 2.995 -5.269 14 HD1 PHE 3 HD1 PHE 3 5.087 2.231 -4.762 15 HD2 PHE 3 HD2 PHE 3 6.039 6.378 -4.889 16 HE1 PHE 3 HE1 PHE 3 2.690 2.775 -4.863 17 HE2 PHE 3 HE2 PHE 3 3.643 6.928 -4.990 18 HZ PHE 3 HZ PHE 3 1.965 5.126 -4.976 19 H LEU 4 H LEU 4 10.256 3.679 -3.312 20 HA LEU 4 HA LEU 4 10.833 6.097 -1.944 21 HB2 LEU 4 HB2 LEU 4 12.497 4.532 -1.701 22 HB3 LEU 4 HB3 LEU 4 12.421 4.034 -3.390 23 HG LEU 4 HG LEU 4 13.545 6.166 -4.007 24 HD11 LEU 4 HD11 LEU 4 13.106 7.666 -2.295 25 HD12 LEU 4 HD12 LEU 4 14.792 7.233 -2.017 26 HD13 LEU 4 HD13 LEU 4 13.522 6.506 -1.033 27 HD21 LEU 4 HD21 LEU 4 15.771 5.497 -3.162 28 HD22 LEU 4 HD22 LEU 4 14.846 4.146 -3.818 29 HD23 LEU 4 HD23 LEU 4 14.984 4.356 -2.072 30 H THR 5 H THR 5 10.535 8.057 -2.756 31 HA THR 5 HA THR 5 10.828 8.473 -5.647 32 HB THR 5 HB THR 5 9.851 10.834 -4.794 33 HG1 THR 5 HG1 THR 5 8.778 10.659 -2.956 34 HG21 THR 5 HG21 THR 5 8.953 8.855 -6.360 35 HG22 THR 5 HG22 THR 5 7.951 10.227 -5.887 36 HG23 THR 5 HG23 THR 5 7.814 8.695 -5.024 37 H ARG 6 H ARG 6 11.808 10.544 -6.345 38 HA ARG 6 HA ARG 6 14.325 10.934 -4.976 39 HB2 ARG 6 HB2 ARG 6 13.560 12.610 -7.313 40 HB3 ARG 6 HB3 ARG 6 15.100 11.852 -6.930 41 HG2 ARG 6 HG2 ARG 6 12.651 10.530 -8.068 42 HG3 ARG 6 HG3 ARG 6 14.202 10.793 -8.867 43 HD2 ARG 6 HD2 ARG 6 14.905 8.825 -8.118 44 HD3 ARG 6 HD3 ARG 6 14.718 9.401 -6.462 45 HE ARG 6 HE ARG 6 12.724 8.245 -6.303 46 HH11 ARG 6 HH11 ARG 6 13.896 8.193 -9.580 47 HH12 ARG 6 HH12 ARG 6 12.776 6.977 -10.099 48 HH21 ARG 6 HH21 ARG 6 11.245 6.644 -6.974 49 HH22 ARG 6 HH22 ARG 6 11.268 6.097 -8.616 50 H LEU 7 H LEU 7 11.386 12.106 -4.379 51 HA LEU 7 HA LEU 7 12.049 14.911 -4.084 52 HB2 LEU 7 HB2 LEU 7 9.746 13.812 -4.658 53 HB3 LEU 7 HB3 LEU 7 9.611 13.651 -2.908 54 HG LEU 7 HG LEU 7 10.274 16.335 -3.991 55 HD11 LEU 7 HD11 LEU 7 7.961 16.843 -4.472 56 HD12 LEU 7 HD12 LEU 7 7.489 15.185 -4.099 57 HD13 LEU 7 HD13 LEU 7 8.507 15.518 -5.500 58 HD21 LEU 7 HD21 LEU 7 9.308 17.089 -2.051 59 HD22 LEU 7 HD22 LEU 7 9.919 15.520 -1.523 60 HD23 LEU 7 HD23 LEU 7 8.213 15.712 -1.930 61 H GLY 8 H GLY 8 11.877 12.034 -2.119 62 HA2 GLY 8 HA2 GLY 8 13.402 13.210 -0.035 63 HA3 GLY 8 HA3 GLY 8 11.710 13.116 0.433 64 H THR 9 H THR 9 10.704 10.885 0.013 65 HA THR 9 HA THR 9 12.456 8.621 0.103 66 HB THR 9 HB THR 9 10.956 8.387 2.534 67 HG1 THR 9 HG1 THR 9 12.406 10.078 3.593 68 HG21 THR 9 HG21 THR 9 13.491 8.372 3.354 69 HG22 THR 9 HG22 THR 9 13.775 8.196 1.622 70 HG23 THR 9 HG23 THR 9 12.780 7.018 2.476 71 H TYR 10 H TYR 10 10.866 6.740 1.258 72 HA TYR 10 HA TYR 10 9.093 6.001 -0.681 73 HB2 TYR 10 HB2 TYR 10 9.560 5.243 2.111 74 HB3 TYR 10 HB3 TYR 10 7.913 4.942 1.570 75 HD1 TYR 10 HD1 TYR 10 7.864 2.598 1.430 76 HD2 TYR 10 HD2 TYR 10 11.023 4.739 -0.450 77 HE1 TYR 10 HE1 TYR 10 8.603 0.527 0.328 78 HE2 TYR 10 HE2 TYR 10 11.770 2.675 -1.559 79 HH TYR 10 HH TYR 10 10.598 0.430 -2.253 80 H VAL 11 H VAL 11 7.205 6.726 -1.389 81 HA VAL 11 HA VAL 11 5.452 8.192 0.461 82 HB VAL 11 HB VAL 11 6.550 9.893 -0.852 83 HG11 VAL 11 HG11 VAL 11 6.535 9.941 -3.252 84 HG12 VAL 11 HG12 VAL 11 7.206 8.396 -2.727 85 HG13 VAL 11 HG13 VAL 11 5.546 8.483 -3.320 86 HG21 VAL 11 HG21 VAL 11 4.671 11.061 -1.567 87 HG22 VAL 11 HG22 VAL 11 3.863 9.604 -2.146 88 HG23 VAL 11 HG23 VAL 11 4.005 9.904 -0.414 89 H CYS 12 H CYS 12 3.343 7.670 0.342 90 HA CYS 12 HA CYS 12 2.383 6.170 -1.988 91 HB2 CYS 12 HB2 CYS 12 1.055 4.955 0.099 92 HB3 CYS 12 HB3 CYS 12 2.426 4.278 -0.774 Start of MODEL 16 1 H1 ALA 1 H ALA 1 0.293 1.386 -1.025 2 HA ALA 1 HA ALA 1 2.317 -0.066 -0.377 3 HB1 ALA 1 HB1 ALA 1 2.928 -1.545 -1.910 4 HB2 ALA 1 HB2 ALA 1 1.699 -0.931 -3.016 5 HB3 ALA 1 HB3 ALA 1 3.318 -0.230 -3.019 6 H CYS 2 H CYS 2 4.328 0.970 -0.300 7 HA CYS 2 HA CYS 2 4.260 3.746 -1.225 8 HB2 CYS 2 HB2 CYS 2 6.072 2.387 0.782 9 HB3 CYS 2 HB3 CYS 2 6.102 4.102 0.385 10 H PHE 3 H PHE 3 6.384 4.697 -1.909 11 HA PHE 3 HA PHE 3 8.246 2.854 -3.155 12 HB2 PHE 3 HB2 PHE 3 7.722 4.679 -5.220 13 HB3 PHE 3 HB3 PHE 3 7.337 2.961 -5.197 14 HD1 PHE 3 HD1 PHE 3 5.092 2.195 -4.670 15 HD2 PHE 3 HD2 PHE 3 6.031 6.343 -4.836 16 HE1 PHE 3 HE1 PHE 3 2.693 2.731 -4.760 17 HE2 PHE 3 HE2 PHE 3 3.633 6.886 -4.925 18 HZ PHE 3 HZ PHE 3 1.960 5.079 -4.887 19 H LEU 4 H LEU 4 10.267 3.671 -3.266 20 HA LEU 4 HA LEU 4 10.845 6.102 -1.921 21 HB2 LEU 4 HB2 LEU 4 12.517 4.545 -1.678 22 HB3 LEU 4 HB3 LEU 4 12.429 4.033 -3.362 23 HG LEU 4 HG LEU 4 13.541 6.164 -4.005 24 HD11 LEU 4 HD11 LEU 4 12.805 7.170 -1.678 25 HD12 LEU 4 HD12 LEU 4 14.260 7.723 -2.506 26 HD13 LEU 4 HD13 LEU 4 14.386 6.561 -1.185 27 HD21 LEU 4 HD21 LEU 4 15.777 5.512 -2.882 28 HD22 LEU 4 HD22 LEU 4 14.992 4.357 -3.959 29 HD23 LEU 4 HD23 LEU 4 14.859 4.164 -2.210 30 H THR 5 H THR 5 10.538 8.055 -2.745 31 HA THR 5 HA THR 5 10.807 8.450 -5.641 32 HB THR 5 HB THR 5 9.828 10.814 -4.800 33 HG1 THR 5 HG1 THR 5 9.699 10.165 -2.616 34 HG21 THR 5 HG21 THR 5 7.920 10.191 -5.872 35 HG22 THR 5 HG22 THR 5 7.796 8.666 -4.996 36 HG23 THR 5 HG23 THR 5 8.925 8.821 -6.343 37 H ARG 6 H ARG 6 11.775 10.520 -6.362 38 HA ARG 6 HA ARG 6 14.301 10.928 -5.015 39 HB2 ARG 6 HB2 ARG 6 13.512 12.584 -7.358 40 HB3 ARG 6 HB3 ARG 6 15.057 11.835 -6.981 41 HG2 ARG 6 HG2 ARG 6 12.604 10.496 -8.092 42 HG3 ARG 6 HG3 ARG 6 14.149 10.758 -8.903 43 HD2 ARG 6 HD2 ARG 6 14.864 8.799 -8.145 44 HD3 ARG 6 HD3 ARG 6 14.687 9.386 -6.492 45 HE ARG 6 HE ARG 6 12.697 8.225 -6.310 46 HH11 ARG 6 HH11 ARG 6 13.848 8.150 -9.595 47 HH12 ARG 6 HH12 ARG 6 12.730 6.926 -10.096 48 HH21 ARG 6 HH21 ARG 6 11.220 6.613 -6.958 49 HH22 ARG 6 HH22 ARG 6 11.235 6.052 -8.596 50 H LEU 7 H LEU 7 11.361 12.094 -4.405 51 HA LEU 7 HA LEU 7 12.017 14.904 -4.134 52 HB2 LEU 7 HB2 LEU 7 9.586 13.510 -3.051 53 HB3 LEU 7 HB3 LEU 7 9.779 15.218 -3.439 54 HG LEU 7 HG LEU 7 9.663 12.966 -5.444 55 HD11 LEU 7 HD11 LEU 7 7.625 14.878 -4.386 56 HD12 LEU 7 HD12 LEU 7 7.487 13.147 -4.691 57 HD13 LEU 7 HD13 LEU 7 7.511 14.281 -6.042 58 HD21 LEU 7 HD21 LEU 7 9.381 14.919 -7.034 59 HD22 LEU 7 HD22 LEU 7 10.998 14.673 -6.374 60 HD23 LEU 7 HD23 LEU 7 9.962 15.945 -5.723 61 H GLY 8 H GLY 8 11.878 12.039 -2.150 62 HA2 GLY 8 HA2 GLY 8 13.413 13.235 -0.086 63 HA3 GLY 8 HA3 GLY 8 11.725 13.142 0.397 64 H THR 9 H THR 9 10.720 10.905 0.000 65 HA THR 9 HA THR 9 12.478 8.646 0.094 66 HB THR 9 HB THR 9 10.994 8.426 2.538 67 HG1 THR 9 HG1 THR 9 11.158 10.445 3.181 68 HG21 THR 9 HG21 THR 9 13.805 8.229 1.604 69 HG22 THR 9 HG22 THR 9 12.820 7.061 2.485 70 HG23 THR 9 HG23 THR 9 13.539 8.427 3.336 71 H TYR 10 H TYR 10 10.900 6.770 1.275 72 HA TYR 10 HA TYR 10 9.116 6.011 -0.647 73 HB2 TYR 10 HB2 TYR 10 9.602 5.277 2.148 74 HB3 TYR 10 HB3 TYR 10 7.953 4.967 1.619 75 HD1 TYR 10 HD1 TYR 10 7.910 2.622 1.498 76 HD2 TYR 10 HD2 TYR 10 11.052 4.758 -0.418 77 HE1 TYR 10 HE1 TYR 10 8.648 0.545 0.408 78 HE2 TYR 10 HE2 TYR 10 11.798 2.687 -1.514 79 HH TYR 10 HH TYR 10 9.950 -0.287 -1.280 80 H VAL 11 H VAL 11 7.217 6.718 -1.345 81 HA VAL 11 HA VAL 11 5.474 8.197 0.504 82 HB VAL 11 HB VAL 11 6.559 9.891 -0.829 83 HG11 VAL 11 HG11 VAL 11 5.566 8.411 -3.262 84 HG12 VAL 11 HG12 VAL 11 6.479 9.922 -3.248 85 HG13 VAL 11 HG13 VAL 11 7.235 8.427 -2.695 86 HG21 VAL 11 HG21 VAL 11 3.866 9.585 -2.105 87 HG22 VAL 11 HG22 VAL 11 4.015 9.896 -0.375 88 HG23 VAL 11 HG23 VAL 11 4.671 11.049 -1.538 89 H CYS 12 H CYS 12 3.365 7.671 0.402 90 HA CYS 12 HA CYS 12 2.394 6.150 -1.911 91 HB2 CYS 12 HB2 CYS 12 1.083 4.947 0.193 92 HB3 CYS 12 HB3 CYS 12 2.450 4.267 -0.682 Start of MODEL 17 1 H1 ALA 1 H ALA 1 0.485 -0.271 -0.241 2 HA ALA 1 HA ALA 1 2.732 -0.399 -1.113 3 HB1 ALA 1 HB1 ALA 1 0.554 0.343 -2.992 4 HB2 ALA 1 HB2 ALA 1 2.202 0.266 -3.617 5 HB3 ALA 1 HB3 ALA 1 1.479 -1.154 -2.862 6 H CYS 2 H CYS 2 4.286 0.974 -0.413 7 HA CYS 2 HA CYS 2 4.235 3.759 -1.314 8 HB2 CYS 2 HB2 CYS 2 6.028 2.375 0.693 9 HB3 CYS 2 HB3 CYS 2 6.066 4.094 0.311 10 H PHE 3 H PHE 3 6.367 4.707 -1.975 11 HA PHE 3 HA PHE 3 8.231 2.868 -3.225 12 HB2 PHE 3 HB2 PHE 3 7.727 4.712 -5.277 13 HB3 PHE 3 HB3 PHE 3 7.336 2.996 -5.271 14 HD1 PHE 3 HD1 PHE 3 5.085 2.234 -4.765 15 HD2 PHE 3 HD2 PHE 3 6.040 6.380 -4.891 16 HE1 PHE 3 HE1 PHE 3 2.688 2.780 -4.867 17 HE2 PHE 3 HE2 PHE 3 3.645 6.932 -4.992 18 HZ PHE 3 HZ PHE 3 1.965 5.131 -4.980 19 H LEU 4 H LEU 4 10.255 3.678 -3.313 20 HA LEU 4 HA LEU 4 10.832 6.097 -1.945 21 HB2 LEU 4 HB2 LEU 4 12.495 4.530 -1.701 22 HB3 LEU 4 HB3 LEU 4 12.420 4.033 -3.390 23 HG LEU 4 HG LEU 4 13.545 6.166 -4.005 24 HD11 LEU 4 HD11 LEU 4 13.575 7.803 -2.506 25 HD12 LEU 4 HD12 LEU 4 14.779 6.875 -1.613 26 HD13 LEU 4 HD13 LEU 4 13.069 6.714 -1.214 27 HD21 LEU 4 HD21 LEU 4 14.774 4.043 -3.706 28 HD22 LEU 4 HD22 LEU 4 15.072 4.482 -2.023 29 HD23 LEU 4 HD23 LEU 4 15.750 5.462 -3.324 30 H THR 5 H THR 5 10.538 8.057 -2.757 31 HA THR 5 HA THR 5 10.833 8.472 -5.648 32 HB THR 5 HB THR 5 9.853 10.832 -4.798 33 HG1 THR 5 HG1 THR 5 9.083 10.661 -2.844 34 HG21 THR 5 HG21 THR 5 7.821 8.686 -5.032 35 HG22 THR 5 HG22 THR 5 8.959 8.860 -6.368 36 HG23 THR 5 HG23 THR 5 7.950 10.223 -5.887 37 H ARG 6 H ARG 6 11.813 10.545 -6.344 38 HA ARG 6 HA ARG 6 14.328 10.935 -4.973 39 HB2 ARG 6 HB2 ARG 6 13.564 12.612 -7.310 40 HB3 ARG 6 HB3 ARG 6 15.104 11.856 -6.925 41 HG2 ARG 6 HG2 ARG 6 12.657 10.532 -8.067 42 HG3 ARG 6 HG3 ARG 6 14.210 10.796 -8.863 43 HD2 ARG 6 HD2 ARG 6 14.913 8.829 -8.114 44 HD3 ARG 6 HD3 ARG 6 14.724 9.404 -6.458 45 HE ARG 6 HE ARG 6 12.730 8.248 -6.302 46 HH11 ARG 6 HH11 ARG 6 13.908 8.194 -9.577 47 HH12 ARG 6 HH12 ARG 6 12.791 6.976 -10.097 48 HH21 ARG 6 HH21 ARG 6 11.254 6.644 -6.974 49 HH22 ARG 6 HH22 ARG 6 11.282 6.096 -8.616 50 H LEU 7 H LEU 7 11.386 12.106 -4.380 51 HA LEU 7 HA LEU 7 12.047 14.911 -4.081 52 HB2 LEU 7 HB2 LEU 7 9.603 13.514 -3.029 53 HB3 LEU 7 HB3 LEU 7 9.804 15.225 -3.401 54 HG LEU 7 HG LEU 7 9.842 13.066 -5.501 55 HD11 LEU 7 HD11 LEU 7 7.688 13.055 -4.323 56 HD12 LEU 7 HD12 LEU 7 7.536 13.638 -5.980 57 HD13 LEU 7 HD13 LEU 7 7.518 14.783 -4.638 58 HD21 LEU 7 HD21 LEU 7 8.962 15.725 -6.244 59 HD22 LEU 7 HD22 LEU 7 10.209 14.705 -6.963 60 HD23 LEU 7 HD23 LEU 7 10.596 15.729 -5.579 61 H GLY 8 H GLY 8 11.877 12.032 -2.118 62 HA2 GLY 8 HA2 GLY 8 13.400 13.208 -0.032 63 HA3 GLY 8 HA3 GLY 8 11.708 13.114 0.435 64 H THR 9 H THR 9 10.702 10.883 0.012 65 HA THR 9 HA THR 9 12.454 8.619 0.101 66 HB THR 9 HB THR 9 10.954 8.385 2.533 67 HG1 THR 9 HG1 THR 9 11.139 10.679 2.617 68 HG21 THR 9 HG21 THR 9 12.777 7.014 2.476 69 HG22 THR 9 HG22 THR 9 13.490 8.369 3.351 70 HG23 THR 9 HG23 THR 9 13.772 8.191 1.619 71 H TYR 10 H TYR 10 10.864 6.738 1.257 72 HA TYR 10 HA TYR 10 9.091 5.999 -0.682 73 HB2 TYR 10 HB2 TYR 10 9.559 5.241 2.109 74 HB3 TYR 10 HB3 TYR 10 7.911 4.940 1.569 75 HD1 TYR 10 HD1 TYR 10 7.860 2.597 1.428 76 HD2 TYR 10 HD2 TYR 10 11.021 4.737 -0.452 77 HE1 TYR 10 HE1 TYR 10 8.599 0.526 0.325 78 HE2 TYR 10 HE2 TYR 10 11.767 2.673 -1.561 79 HH TYR 10 HH TYR 10 9.878 -0.200 -1.561 80 H VAL 11 H VAL 11 7.205 6.729 -1.392 81 HA VAL 11 HA VAL 11 5.452 8.193 0.460 82 HB VAL 11 HB VAL 11 6.551 9.894 -0.852 83 HG11 VAL 11 HG11 VAL 11 5.568 8.441 -3.305 84 HG12 VAL 11 HG12 VAL 11 6.491 9.945 -3.269 85 HG13 VAL 11 HG13 VAL 11 7.233 8.439 -2.726 86 HG21 VAL 11 HG21 VAL 11 4.672 11.062 -1.569 87 HG22 VAL 11 HG22 VAL 11 3.863 9.605 -2.146 88 HG23 VAL 11 HG23 VAL 11 4.006 9.907 -0.415 89 H CYS 12 H CYS 12 3.342 7.674 0.339 90 HA CYS 12 HA CYS 12 2.382 6.175 -1.992 91 HB2 CYS 12 HB2 CYS 12 1.053 4.959 0.094 92 HB3 CYS 12 HB3 CYS 12 2.423 4.281 -0.779 Start of MODEL 18 1 H1 ALA 1 H ALA 1 0.657 -0.103 0.026 2 HA ALA 1 HA ALA 1 2.704 -0.368 -0.971 3 HB1 ALA 1 HB1 ALA 1 2.107 -1.184 -2.944 4 HB2 ALA 1 HB2 ALA 1 0.633 -0.216 -2.929 5 HB3 ALA 1 HB3 ALA 1 2.119 0.451 -3.604 6 H CYS 2 H CYS 2 4.296 0.970 -0.396 7 HA CYS 2 HA CYS 2 4.241 3.753 -1.302 8 HB2 CYS 2 HB2 CYS 2 6.037 2.375 0.706 9 HB3 CYS 2 HB3 CYS 2 6.074 4.092 0.321 10 H PHE 3 H PHE 3 6.372 4.703 -1.966 11 HA PHE 3 HA PHE 3 8.237 2.864 -3.214 12 HB2 PHE 3 HB2 PHE 3 7.730 4.705 -5.269 13 HB3 PHE 3 HB3 PHE 3 7.340 2.988 -5.261 14 HD1 PHE 3 HD1 PHE 3 6.042 6.371 -4.881 15 HD2 PHE 3 HD2 PHE 3 5.090 2.225 -4.754 16 HE1 PHE 3 HE1 PHE 3 3.646 6.922 -4.981 17 HE2 PHE 3 HE2 PHE 3 2.693 2.768 -4.854 18 HZ PHE 3 HZ PHE 3 1.968 5.119 -4.969 19 H LEU 4 H LEU 4 10.260 3.677 -3.307 20 HA LEU 4 HA LEU 4 10.836 6.098 -1.941 21 HB2 LEU 4 HB2 LEU 4 12.502 4.534 -1.699 22 HB3 LEU 4 HB3 LEU 4 12.424 4.035 -3.388 23 HG LEU 4 HG LEU 4 13.545 6.169 -4.008 24 HD11 LEU 4 HD11 LEU 4 13.962 6.462 -1.037 25 HD12 LEU 4 HD12 LEU 4 12.865 7.443 -2.008 26 HD13 LEU 4 HD13 LEU 4 14.602 7.509 -2.304 27 HD21 LEU 4 HD21 LEU 4 14.951 4.299 -3.936 28 HD22 LEU 4 HD22 LEU 4 14.881 4.201 -2.176 29 HD23 LEU 4 HD23 LEU 4 15.778 5.507 -2.952 30 H THR 5 H THR 5 10.539 8.057 -2.754 31 HA THR 5 HA THR 5 10.828 8.471 -5.646 32 HB THR 5 HB THR 5 9.847 10.831 -4.796 33 HG1 THR 5 HG1 THR 5 9.782 9.900 -2.593 34 HG21 THR 5 HG21 THR 5 7.944 10.218 -5.884 35 HG22 THR 5 HG22 THR 5 7.814 8.686 -5.020 36 HG23 THR 5 HG23 THR 5 8.951 8.851 -6.358 37 H ARG 6 H ARG 6 11.806 10.542 -6.346 38 HA ARG 6 HA ARG 6 14.322 10.937 -4.979 39 HB2 ARG 6 HB2 ARG 6 13.551 12.611 -7.316 40 HB3 ARG 6 HB3 ARG 6 15.094 11.858 -6.933 41 HG2 ARG 6 HG2 ARG 6 12.647 10.530 -8.070 42 HG3 ARG 6 HG3 ARG 6 14.198 10.795 -8.869 43 HD2 ARG 6 HD2 ARG 6 14.904 8.830 -8.119 44 HD3 ARG 6 HD3 ARG 6 14.717 9.406 -6.464 45 HE ARG 6 HE ARG 6 12.724 8.248 -6.304 46 HH11 ARG 6 HH11 ARG 6 13.899 8.191 -9.580 47 HH12 ARG 6 HH12 ARG 6 12.783 6.971 -10.097 48 HH21 ARG 6 HH21 ARG 6 11.249 6.641 -6.973 49 HH22 ARG 6 HH22 ARG 6 11.275 6.091 -8.614 50 H LEU 7 H LEU 7 11.379 12.106 -4.385 51 HA LEU 7 HA LEU 7 12.038 14.912 -4.088 52 HB2 LEU 7 HB2 LEU 7 9.598 13.513 -3.031 53 HB3 LEU 7 HB3 LEU 7 9.796 15.224 -3.403 54 HG LEU 7 HG LEU 7 9.697 12.992 -5.432 55 HD11 LEU 7 HD11 LEU 7 7.636 14.678 -4.182 56 HD12 LEU 7 HD12 LEU 7 7.502 13.098 -4.953 57 HD13 LEU 7 HD13 LEU 7 7.561 14.558 -5.940 58 HD21 LEU 7 HD21 LEU 7 9.865 15.987 -5.726 59 HD22 LEU 7 HD22 LEU 7 9.491 14.874 -7.043 60 HD23 LEU 7 HD23 LEU 7 11.059 14.795 -6.239 61 H GLY 8 H GLY 8 11.881 12.034 -2.124 62 HA2 GLY 8 HA2 GLY 8 13.405 13.213 -0.042 63 HA3 GLY 8 HA3 GLY 8 11.714 13.119 0.429 64 H THR 9 H THR 9 10.708 10.887 0.011 65 HA THR 9 HA THR 9 12.461 8.624 0.100 66 HB THR 9 HB THR 9 10.962 8.391 2.533 67 HG1 THR 9 HG1 THR 9 11.339 10.798 2.347 68 HG21 THR 9 HG21 THR 9 13.499 8.377 3.350 69 HG22 THR 9 HG22 THR 9 13.780 8.198 1.618 70 HG23 THR 9 HG23 THR 9 12.786 7.022 2.477 71 H TYR 10 H TYR 10 10.872 6.744 1.260 72 HA TYR 10 HA TYR 10 9.098 6.002 -0.678 73 HB2 TYR 10 HB2 TYR 10 9.568 5.247 2.114 74 HB3 TYR 10 HB3 TYR 10 7.920 4.943 1.575 75 HD1 TYR 10 HD1 TYR 10 7.871 2.600 1.435 76 HD2 TYR 10 HD2 TYR 10 11.030 4.742 -0.447 77 HE1 TYR 10 HE1 TYR 10 8.611 0.529 0.334 78 HE2 TYR 10 HE2 TYR 10 11.777 2.677 -1.554 79 HH TYR 10 HH TYR 10 11.459 0.495 -1.792 80 H VAL 11 H VAL 11 7.206 6.722 -1.384 81 HA VAL 11 HA VAL 11 5.455 8.188 0.467 82 HB VAL 11 HB VAL 11 6.551 9.890 -0.846 83 HG11 VAL 11 HG11 VAL 11 5.558 8.455 -3.305 84 HG12 VAL 11 HG12 VAL 11 6.511 9.940 -3.256 85 HG13 VAL 11 HG13 VAL 11 7.221 8.416 -2.720 86 HG21 VAL 11 HG21 VAL 11 4.007 9.898 -0.407 87 HG22 VAL 11 HG22 VAL 11 4.670 11.058 -1.558 88 HG23 VAL 11 HG23 VAL 11 3.865 9.601 -2.139 89 H CYS 12 H CYS 12 3.345 7.668 0.347 90 HA CYS 12 HA CYS 12 2.385 6.166 -1.982 91 HB2 CYS 12 HB2 CYS 12 1.058 4.951 0.104 92 HB3 CYS 12 HB3 CYS 12 2.430 4.274 -0.768 Start of MODEL 19 1 H1 ALA 1 H ALA 1 2.851 0.042 -2.863 2 HA ALA 1 HA ALA 1 1.939 0.272 -0.159 3 HB1 ALA 1 HB1 ALA 1 2.404 -2.027 0.046 4 HB2 ALA 1 HB2 ALA 1 3.907 -1.887 -0.867 5 HB3 ALA 1 HB3 ALA 1 3.793 -1.201 0.754 6 H CYS 2 H CYS 2 2.610 2.396 -1.278 7 HA CYS 2 HA CYS 2 3.991 4.202 -1.299 8 HB2 CYS 2 HB2 CYS 2 5.628 2.572 0.655 9 HB3 CYS 2 HB3 CYS 2 5.792 4.301 0.368 10 H PHE 3 H PHE 3 6.158 4.965 -1.974 11 HA PHE 3 HA PHE 3 7.904 3.005 -3.201 12 HB2 PHE 3 HB2 PHE 3 7.507 4.860 -5.276 13 HB3 PHE 3 HB3 PHE 3 7.047 3.161 -5.260 14 HD1 PHE 3 HD1 PHE 3 5.885 6.598 -4.878 15 HD2 PHE 3 HD2 PHE 3 4.765 2.492 -4.799 16 HE1 PHE 3 HE1 PHE 3 3.515 7.246 -5.000 17 HE2 PHE 3 HE2 PHE 3 2.393 3.134 -4.921 18 HZ PHE 3 HZ PHE 3 1.765 5.513 -5.023 19 H LEU 4 H LEU 4 9.972 3.687 -3.258 20 HA LEU 4 HA LEU 4 10.694 6.071 -1.919 21 HB2 LEU 4 HB2 LEU 4 12.275 4.421 -1.693 22 HB3 LEU 4 HB3 LEU 4 12.150 3.923 -3.378 23 HG LEU 4 HG LEU 4 13.385 5.985 -4.019 24 HD11 LEU 4 HD11 LEU 4 12.812 6.758 -1.400 25 HD12 LEU 4 HD12 LEU 4 13.819 7.608 -2.571 26 HD13 LEU 4 HD13 LEU 4 14.553 6.476 -1.435 27 HD21 LEU 4 HD21 LEU 4 14.818 4.214 -4.031 28 HD22 LEU 4 HD22 LEU 4 14.514 3.811 -2.341 29 HD23 LEU 4 HD23 LEU 4 15.563 5.169 -2.750 30 H THR 5 H THR 5 10.398 8.030 -2.748 31 HA THR 5 HA THR 5 10.729 8.444 -5.630 32 HB THR 5 HB THR 5 9.872 10.848 -4.764 33 HG1 THR 5 HG1 THR 5 8.584 10.651 -3.003 34 HG21 THR 5 HG21 THR 5 7.723 8.825 -4.987 35 HG22 THR 5 HG22 THR 5 8.870 8.906 -6.324 36 HG23 THR 5 HG23 THR 5 7.951 10.339 -5.862 37 H ARG 6 H ARG 6 11.805 10.464 -6.333 38 HA ARG 6 HA ARG 6 14.345 10.732 -4.978 39 HB2 ARG 6 HB2 ARG 6 13.649 12.442 -7.312 40 HB3 ARG 6 HB3 ARG 6 15.153 11.612 -6.936 41 HG2 ARG 6 HG2 ARG 6 12.637 10.408 -8.061 42 HG3 ARG 6 HG3 ARG 6 14.196 10.596 -8.867 43 HD2 ARG 6 HD2 ARG 6 14.806 8.597 -8.121 44 HD3 ARG 6 HD3 ARG 6 14.658 9.183 -6.465 45 HE ARG 6 HE ARG 6 12.611 8.126 -6.291 46 HH11 ARG 6 HH11 ARG 6 13.761 8.009 -9.575 47 HH12 ARG 6 HH12 ARG 6 12.583 6.846 -10.084 48 HH21 ARG 6 HH21 ARG 6 11.053 6.595 -6.950 49 HH22 ARG 6 HH22 ARG 6 11.042 6.043 -8.591 50 H LEU 7 H LEU 7 11.466 12.046 -4.370 51 HA LEU 7 HA LEU 7 12.271 14.815 -4.074 52 HB2 LEU 7 HB2 LEU 7 9.758 13.543 -3.028 53 HB3 LEU 7 HB3 LEU 7 10.047 15.244 -3.388 54 HG LEU 7 HG LEU 7 9.750 13.006 -5.390 55 HD11 LEU 7 HD11 LEU 7 7.986 15.305 -4.585 56 HD12 LEU 7 HD12 LEU 7 7.625 13.581 -4.511 57 HD13 LEU 7 HD13 LEU 7 7.766 14.386 -6.074 58 HD21 LEU 7 HD21 LEU 7 11.322 14.501 -6.317 59 HD22 LEU 7 HD22 LEU 7 10.449 15.913 -5.720 60 HD23 LEU 7 HD23 LEU 7 9.767 14.940 -7.025 61 H GLY 8 H GLY 8 11.997 11.943 -2.127 62 HA2 GLY 8 HA2 GLY 8 13.561 13.041 -0.036 63 HA3 GLY 8 HA3 GLY 8 11.868 13.028 0.433 64 H THR 9 H THR 9 10.756 10.847 -0.002 65 HA THR 9 HA THR 9 12.395 8.502 0.083 66 HB THR 9 HB THR 9 10.890 8.333 2.518 67 HG1 THR 9 HG1 THR 9 11.113 10.426 3.011 68 HG21 THR 9 HG21 THR 9 13.412 8.180 3.341 69 HG22 THR 9 HG22 THR 9 13.704 8.023 1.608 70 HG23 THR 9 HG23 THR 9 12.649 6.876 2.433 71 H TYR 10 H TYR 10 10.720 6.694 1.233 72 HA TYR 10 HA TYR 10 8.908 6.050 -0.703 73 HB2 TYR 10 HB2 TYR 10 9.341 5.262 2.088 74 HB3 TYR 10 HB3 TYR 10 7.683 5.035 1.542 75 HD1 TYR 10 HD1 TYR 10 7.491 2.713 1.338 76 HD2 TYR 10 HD2 TYR 10 10.827 4.687 -0.417 77 HE1 TYR 10 HE1 TYR 10 8.141 0.616 0.229 78 HE2 TYR 10 HE2 TYR 10 11.485 2.596 -1.532 79 HH TYR 10 HH TYR 10 11.082 0.418 -1.747 80 H VAL 11 H VAL 11 7.017 6.810 -1.378 81 HA VAL 11 HA VAL 11 5.348 8.359 0.477 82 HB VAL 11 HB VAL 11 6.521 10.029 -0.807 83 HG11 VAL 11 HG11 VAL 11 7.102 8.503 -2.701 84 HG12 VAL 11 HG12 VAL 11 5.462 8.730 -3.311 85 HG13 VAL 11 HG13 VAL 11 6.559 10.107 -3.193 86 HG21 VAL 11 HG21 VAL 11 4.698 11.286 -1.515 87 HG22 VAL 11 HG22 VAL 11 3.833 9.874 -2.121 88 HG23 VAL 11 HG23 VAL 11 3.976 10.142 -0.384 89 H CYS 12 H CYS 12 3.210 7.960 0.331 90 HA CYS 12 HA CYS 12 2.196 6.520 -2.015 91 HB2 CYS 12 HB2 CYS 12 0.791 5.353 0.043 92 HB3 CYS 12 HB3 CYS 12 2.148 4.621 -0.808 Start of MODEL 20 1 H1 ALA 1 H ALA 1 2.353 -1.873 -1.179 2 HA ALA 1 HA ALA 1 2.125 0.263 -2.080 3 HB1 ALA 1 HB1 ALA 1 1.571 0.555 0.867 4 HB2 ALA 1 HB2 ALA 1 1.112 1.744 -0.352 5 HB3 ALA 1 HB3 ALA 1 0.424 0.121 -0.401 6 H CYS 2 H CYS 2 2.543 2.735 -1.465 7 HA CYS 2 HA CYS 2 4.071 4.412 -1.302 8 HB2 CYS 2 HB2 CYS 2 5.536 2.534 0.564 9 HB3 CYS 2 HB3 CYS 2 5.782 4.273 0.430 10 H PHE 3 H PHE 3 6.156 5.082 -2.066 11 HA PHE 3 HA PHE 3 7.891 3.072 -3.236 12 HB2 PHE 3 HB2 PHE 3 7.521 4.933 -5.327 13 HB3 PHE 3 HB3 PHE 3 7.087 3.227 -5.316 14 HD1 PHE 3 HD1 PHE 3 4.809 2.525 -4.839 15 HD2 PHE 3 HD2 PHE 3 5.869 6.645 -4.992 16 HE1 PHE 3 HE1 PHE 3 2.428 3.129 -4.990 17 HE2 PHE 3 HE2 PHE 3 3.491 7.255 -5.141 18 HZ PHE 3 HZ PHE 3 1.766 5.496 -5.140 19 H LEU 4 H LEU 4 9.967 3.710 -3.240 20 HA LEU 4 HA LEU 4 10.727 6.089 -1.931 21 HB2 LEU 4 HB2 LEU 4 12.282 4.417 -1.700 22 HB3 LEU 4 HB3 LEU 4 12.150 3.917 -3.385 23 HG LEU 4 HG LEU 4 13.419 5.955 -4.030 24 HD11 LEU 4 HD11 LEU 4 12.997 7.434 -2.231 25 HD12 LEU 4 HD12 LEU 4 14.717 7.051 -2.172 26 HD13 LEU 4 HD13 LEU 4 13.603 6.278 -1.045 27 HD21 LEU 4 HD21 LEU 4 14.807 4.140 -4.025 28 HD22 LEU 4 HD22 LEU 4 14.525 3.787 -2.320 29 HD23 LEU 4 HD23 LEU 4 15.587 5.118 -2.782 30 H THR 5 H THR 5 10.452 8.050 -2.765 31 HA THR 5 HA THR 5 10.829 8.455 -5.646 32 HB THR 5 HB THR 5 9.935 10.852 -4.834 33 HG1 THR 5 HG1 THR 5 8.767 8.990 -3.015 34 HG21 THR 5 HG21 THR 5 8.017 10.303 -5.924 35 HG22 THR 5 HG22 THR 5 7.806 8.802 -5.022 36 HG23 THR 5 HG23 THR 5 8.957 8.875 -6.357 37 H ARG 6 H ARG 6 11.899 10.495 -6.320 38 HA ARG 6 HA ARG 6 14.417 10.765 -4.928 39 HB2 ARG 6 HB2 ARG 6 13.738 12.501 -7.248 40 HB3 ARG 6 HB3 ARG 6 15.244 11.678 -6.863 41 HG2 ARG 6 HG2 ARG 6 12.753 10.470 -8.038 42 HG3 ARG 6 HG3 ARG 6 14.322 10.678 -8.818 43 HD2 ARG 6 HD2 ARG 6 14.934 8.674 -8.088 44 HD3 ARG 6 HD3 ARG 6 14.758 9.238 -6.427 45 HE ARG 6 HE ARG 6 12.714 8.168 -6.296 46 HH11 ARG 6 HH11 ARG 6 13.915 8.095 -9.563 47 HH12 ARG 6 HH12 ARG 6 12.752 6.931 -10.104 48 HH21 ARG 6 HH21 ARG 6 11.177 6.635 -6.996 49 HH22 ARG 6 HH22 ARG 6 11.194 6.102 -8.643 50 H LEU 7 H LEU 7 11.517 12.061 -4.354 51 HA LEU 7 HA LEU 7 12.305 14.827 -4.004 52 HB2 LEU 7 HB2 LEU 7 9.783 13.534 -3.007 53 HB3 LEU 7 HB3 LEU 7 10.070 15.238 -3.353 54 HG LEU 7 HG LEU 7 9.988 13.079 -5.457 55 HD11 LEU 7 HD11 LEU 7 7.790 14.809 -5.696 56 HD12 LEU 7 HD12 LEU 7 7.847 14.309 -4.006 57 HD13 LEU 7 HD13 LEU 7 7.779 13.094 -5.283 58 HD21 LEU 7 HD21 LEU 7 9.678 15.047 -6.956 59 HD22 LEU 7 HD22 LEU 7 11.259 14.975 -6.177 60 HD23 LEU 7 HD23 LEU 7 10.030 16.090 -5.578 61 H GLY 8 H GLY 8 12.029 11.927 -2.103 62 HA2 GLY 8 HA2 GLY 8 13.557 12.996 0.023 63 HA3 GLY 8 HA3 GLY 8 11.857 12.987 0.470 64 H THR 9 H THR 9 10.738 10.821 0.017 65 HA THR 9 HA THR 9 12.368 8.465 0.097 66 HB THR 9 HB THR 9 10.821 8.273 2.500 67 HG1 THR 9 HG1 THR 9 11.026 10.388 2.969 68 HG21 THR 9 HG21 THR 9 12.587 6.820 2.428 69 HG22 THR 9 HG22 THR 9 13.323 8.115 3.372 70 HG23 THR 9 HG23 THR 9 13.654 7.985 1.645 71 H TYR 10 H TYR 10 10.668 6.652 1.194 72 HA TYR 10 HA TYR 10 8.891 6.030 -0.778 73 HB2 TYR 10 HB2 TYR 10 9.253 5.228 2.021 74 HB3 TYR 10 HB3 TYR 10 7.613 5.001 1.424 75 HD1 TYR 10 HD1 TYR 10 10.823 4.667 -0.429 76 HD2 TYR 10 HD2 TYR 10 7.424 2.684 1.189 77 HE1 TYR 10 HE1 TYR 10 11.521 2.582 -1.533 78 HE2 TYR 10 HE2 TYR 10 8.113 0.594 0.090 79 HH TYR 10 HH TYR 10 10.481 0.478 -2.317 80 H VAL 11 H VAL 11 6.970 6.734 -1.456 81 HA VAL 11 HA VAL 11 5.305 8.327 0.362 82 HB VAL 11 HB VAL 11 6.508 9.956 -0.972 83 HG11 VAL 11 HG11 VAL 11 5.318 8.776 -3.463 84 HG12 VAL 11 HG12 VAL 11 6.610 9.969 -3.313 85 HG13 VAL 11 HG13 VAL 11 6.905 8.287 -2.868 86 HG21 VAL 11 HG21 VAL 11 4.693 11.243 -1.609 87 HG22 VAL 11 HG22 VAL 11 3.795 9.857 -2.230 88 HG23 VAL 11 HG23 VAL 11 3.959 10.093 -0.490 89 H CYS 12 H CYS 12 3.163 7.937 0.210 90 HA CYS 12 HA CYS 12 2.143 6.478 -2.116 91 HB2 CYS 12 HB2 CYS 12 0.766 5.263 -0.089 92 HB3 CYS 12 HB3 CYS 12 2.168 4.575 -0.903
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