NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624256 | 6ey3 | 34198 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 1.807 0.001 0.856 2 HA CYS 1 HA CYS 1 1.395 -0.041 -2.062 3 HB2 CYS 1 2HB CYS 1 3.492 1.414 -0.447 4 HB3 CYS 1 3HB CYS 1 3.600 1.190 -2.190 5 H ARG 2 H ARG 2 2.854 -1.320 -3.365 6 HA ARG 2 HA ARG 2 3.866 -3.521 -1.882 7 HB2 ARG 2 3HB ARG 2 6.065 -2.798 -3.601 8 HB3 ARG 2 2HB ARG 2 5.663 -1.378 -2.655 9 HG2 ARG 2 3HG ARG 2 5.628 -3.807 -0.998 10 HG3 ARG 2 2HG ARG 2 7.175 -3.604 -1.796 11 HD2 ARG 2 3HD ARG 2 5.766 -1.474 -0.114 12 HD3 ARG 2 2HD ARG 2 7.123 -2.447 0.416 13 HE ARG 2 HE ARG 2 7.846 -1.163 -2.037 14 HH11 ARG 2 1HH1 ARG 2 9.365 1.629 -0.596 15 HH12 ARG 2 2HH1 ARG 2 9.196 0.681 -2.035 16 HH21 ARG 2 1HH2 ARG 2 8.219 1.028 1.331 17 HH22 ARG 2 2HH2 ARG 2 7.195 -0.369 1.329 18 HA PRO 3 HA PRO 3 3.082 -5.428 -5.725 19 HB2 PRO 3 3HB PRO 3 3.291 -7.548 -4.851 20 HB3 PRO 3 2HB PRO 3 4.786 -7.564 -5.764 21 HG2 PRO 3 3HG PRO 3 4.617 -7.687 -2.969 22 HG3 PRO 3 2HG PRO 3 6.065 -7.278 -3.867 23 HD2 PRO 3 3HD PRO 3 4.451 -5.530 -2.192 24 HD3 PRO 3 2HD PRO 3 5.961 -5.153 -2.997 25 H LEU 4 H LEU 4 4.134 -3.221 -6.456 26 HA LEU 4 HA LEU 4 6.323 -4.033 -8.241 27 HB2 LEU 4 3HB LEU 4 6.188 -1.206 -7.958 28 HB3 LEU 4 2HB LEU 4 6.120 -1.902 -6.351 29 HG LEU 4 HG LEU 4 8.281 -2.336 -8.428 30 HD11 LEU 4 1HD2 LEU 4 9.169 -1.372 -5.857 31 HD12 LEU 4 2HD2 LEU 4 7.915 -0.301 -6.526 32 HD13 LEU 4 3HD2 LEU 4 9.378 -0.659 -7.474 33 HD21 LEU 4 1HD1 LEU 4 8.578 -4.334 -7.469 34 HD22 LEU 4 2HD1 LEU 4 7.540 -3.933 -6.080 35 HD23 LEU 4 3HD1 LEU 4 9.243 -3.416 -6.097 36 H TRP 5 H TRP 5 3.180 -2.387 -7.851 37 HA TRP 5 HA TRP 5 1.688 -1.664 -9.320 38 HB2 TRP 5 3HB TRP 5 2.921 -3.725 -11.157 39 HB3 TRP 5 2HB TRP 5 1.750 -4.072 -9.901 40 HD1 TRP 5 HD1 TRP 5 1.932 -2.975 -13.492 41 HE1 TRP 5 HE1 TRP 5 -0.444 -2.458 -14.519 42 HE3 TRP 5 HE3 TRP 5 -0.571 -3.014 -9.066 43 HZ2 TRP 5 HZ2 TRP 5 -3.044 -2.130 -13.390 44 HZ3 TRP 5 HZ3 TRP 5 -3.026 -2.586 -9.116 45 HH2 TRP 5 HH2 TRP 5 -4.261 -2.155 -11.181 46 H THR 6 H THR 6 4.314 -0.313 -9.109 47 HA THR 6 HA THR 6 4.249 1.023 -11.716 48 HB THR 6 HB THR 6 6.673 -0.146 -10.267 49 HG1 THR 6 HG1 THR 6 6.052 -1.573 -11.860 50 HG21 THR 6 1HG2 THR 6 6.766 1.536 -12.804 51 HG22 THR 6 2HG2 THR 6 8.116 1.040 -11.756 52 HG23 THR 6 3HG2 THR 6 6.979 2.295 -11.208 53 H ALA 7 H ALA 7 5.467 1.078 -8.309 54 HA ALA 7 HA ALA 7 4.708 3.909 -8.275 55 HB1 ALA 7 1HB ALA 7 6.824 4.089 -6.715 56 HB2 ALA 7 2HB ALA 7 7.018 4.148 -8.483 57 HB3 ALA 7 3HB ALA 7 7.359 2.640 -7.600 58 H CYS 8 H CYS 8 3.005 2.046 -7.483 59 HA CYS 8 HA CYS 8 3.301 1.254 -4.750 60 HB2 CYS 8 2HB CYS 8 2.889 3.578 -4.291 61 HB3 CYS 8 3HB CYS 8 1.530 3.611 -5.411 62 H GLY 9 H GLY 9 0.441 2.363 -6.552 63 HA2 GLY 9 2HA GLY 9 -0.448 -0.450 -6.682 64 HA3 GLY 9 3HA GLY 9 -1.536 0.832 -6.170 Start of MODEL 2 1 H1 CYS 1 H CYS 1 2.573 -0.779 1.759 2 HA CYS 1 HA CYS 1 1.156 -1.395 -0.253 3 HB2 CYS 1 2HB CYS 1 2.085 -0.390 -2.383 4 HB3 CYS 1 3HB CYS 1 1.179 0.716 -1.355 5 H ARG 2 H ARG 2 2.495 -2.292 -2.481 6 HA ARG 2 HA ARG 2 4.105 -4.255 -1.346 7 HB2 ARG 2 3HB ARG 2 5.934 -2.723 -1.232 8 HB3 ARG 2 2HB ARG 2 6.228 -3.623 -2.706 9 HG2 ARG 2 3HG ARG 2 5.041 -1.768 -3.992 10 HG3 ARG 2 2HG ARG 2 4.957 -0.854 -2.499 11 HD2 ARG 2 3HD ARG 2 7.672 -1.907 -3.155 12 HD3 ARG 2 2HD ARG 2 7.056 -0.723 -4.291 13 HE ARG 2 HE ARG 2 7.099 0.935 -2.597 14 HH11 ARG 2 1HH1 ARG 2 8.387 0.679 0.637 15 HH12 ARG 2 2HH1 ARG 2 7.835 1.762 -0.598 16 HH21 ARG 2 1HH2 ARG 2 8.379 -1.611 0.260 17 HH22 ARG 2 2HH2 ARG 2 7.821 -2.238 -1.255 18 HA PRO 3 HA PRO 3 3.086 -5.988 -5.216 19 HB2 PRO 3 3HB PRO 3 3.513 -8.129 -4.485 20 HB3 PRO 3 2HB PRO 3 4.930 -7.984 -5.506 21 HG2 PRO 3 3HG PRO 3 4.989 -8.268 -2.718 22 HG3 PRO 3 2HG PRO 3 6.330 -7.703 -3.696 23 HD2 PRO 3 3HD PRO 3 4.731 -6.173 -1.806 24 HD3 PRO 3 2HD PRO 3 6.143 -5.642 -2.697 25 H LEU 4 H LEU 4 3.924 -3.669 -5.886 26 HA LEU 4 HA LEU 4 5.978 -4.235 -7.910 27 HB2 LEU 4 3HB LEU 4 5.774 -1.446 -7.359 28 HB3 LEU 4 2HB LEU 4 5.918 -2.289 -5.830 29 HG LEU 4 HG LEU 4 7.836 -2.449 -8.169 30 HD11 LEU 4 1HD2 LEU 4 9.108 -0.911 -7.158 31 HD12 LEU 4 2HD2 LEU 4 8.833 -1.602 -5.541 32 HD13 LEU 4 3HD2 LEU 4 7.632 -0.498 -6.252 33 HD21 LEU 4 1HD1 LEU 4 7.762 -3.996 -5.576 34 HD22 LEU 4 2HD1 LEU 4 9.250 -3.781 -6.529 35 HD23 LEU 4 3HD1 LEU 4 7.849 -4.617 -7.242 36 H TRP 5 H TRP 5 2.858 -2.702 -7.071 37 HA TRP 5 HA TRP 5 1.213 -1.903 -8.322 38 HB2 TRP 5 3HB TRP 5 2.256 -3.826 -10.408 39 HB3 TRP 5 2HB TRP 5 1.228 -4.268 -9.059 40 HD1 TRP 5 HD1 TRP 5 -1.312 -2.924 -9.094 41 HE1 TRP 5 HE1 TRP 5 -2.929 -2.385 -11.109 42 HE3 TRP 5 HE3 TRP 5 2.224 -3.326 -12.726 43 HZ2 TRP 5 HZ2 TRP 5 -2.556 -2.190 -13.931 44 HZ3 TRP 5 HZ3 TRP 5 1.514 -2.946 -15.085 45 HH2 TRP 5 HH2 TRP 5 -0.783 -2.396 -15.713 46 H THR 6 H THR 6 3.795 -0.496 -8.289 47 HA THR 6 HA THR 6 3.895 0.597 -11.014 48 HB THR 6 HB THR 6 6.106 1.513 -10.182 49 HG1 THR 6 HG1 THR 6 6.134 1.514 -7.967 50 HG21 THR 6 1HG2 THR 6 6.074 -1.402 -9.362 51 HG22 THR 6 2HG2 THR 6 7.290 -0.520 -10.317 52 HG23 THR 6 3HG2 THR 6 5.745 -0.993 -11.062 53 H ALA 7 H ALA 7 1.645 1.129 -9.209 54 HA ALA 7 HA ALA 7 0.449 2.835 -8.464 55 HB1 ALA 7 1HB ALA 7 2.080 3.909 -10.692 56 HB2 ALA 7 2HB ALA 7 1.396 5.144 -9.607 57 HB3 ALA 7 3HB ALA 7 0.322 3.981 -10.422 58 H CYS 8 H CYS 8 2.053 2.062 -6.601 59 HA CYS 8 HA CYS 8 2.412 4.224 -4.895 60 HB2 CYS 8 2HB CYS 8 2.477 1.522 -4.599 61 HB3 CYS 8 3HB CYS 8 4.183 1.913 -4.408 62 H GLY 9 H GLY 9 4.692 2.662 -7.079 63 HA2 GLY 9 2HA GLY 9 6.590 4.853 -6.511 64 HA3 GLY 9 3HA GLY 9 7.135 3.195 -6.713 Start of MODEL 3 1 H1 CYS 1 H CYS 1 1.641 -0.450 0.196 2 HA CYS 1 HA CYS 1 2.137 0.637 -2.239 3 HB2 CYS 1 2HB CYS 1 4.267 1.639 -0.342 4 HB3 CYS 1 3HB CYS 1 4.159 1.942 -2.074 5 H ARG 2 H ARG 2 3.336 -0.818 -3.475 6 HA ARG 2 HA ARG 2 4.543 -2.922 -1.926 7 HB2 ARG 2 3HB ARG 2 6.525 -2.852 -3.661 8 HB3 ARG 2 2HB ARG 2 6.011 -1.205 -3.968 9 HG2 ARG 2 3HG ARG 2 7.670 -0.992 -2.274 10 HG3 ARG 2 2HG ARG 2 6.153 -0.829 -1.412 11 HD2 ARG 2 3HD ARG 2 6.983 -3.650 -1.621 12 HD3 ARG 2 2HD ARG 2 8.209 -2.671 -0.839 13 HE ARG 2 HE ARG 2 5.503 -3.241 0.178 14 HH11 ARG 2 1HH1 ARG 2 6.108 -1.505 3.145 15 HH12 ARG 2 2HH1 ARG 2 5.038 -2.588 2.318 16 HH21 ARG 2 1HH2 ARG 2 8.013 -0.718 2.079 17 HH22 ARG 2 2HH2 ARG 2 8.365 -1.212 0.457 18 HA PRO 3 HA PRO 3 2.934 -5.305 -5.204 19 HB2 PRO 3 3HB PRO 3 3.274 -7.284 -4.077 20 HB3 PRO 3 2HB PRO 3 4.558 -7.503 -5.249 21 HG2 PRO 3 3HG PRO 3 4.945 -7.213 -2.488 22 HG3 PRO 3 2HG PRO 3 6.193 -7.007 -3.701 23 HD2 PRO 3 3HD PRO 3 4.975 -4.960 -2.029 24 HD3 PRO 3 2HD PRO 3 6.302 -4.776 -3.158 25 H LEU 4 H LEU 4 3.896 -3.265 -6.428 26 HA LEU 4 HA LEU 4 5.632 -4.446 -8.483 27 HB2 LEU 4 3HB LEU 4 6.640 -2.347 -8.818 28 HB3 LEU 4 2HB LEU 4 5.429 -1.509 -7.867 29 HG LEU 4 HG LEU 4 6.311 -2.330 -5.816 30 HD11 LEU 4 1HD2 LEU 4 6.965 -4.469 -5.798 31 HD12 LEU 4 2HD2 LEU 4 8.562 -3.834 -6.261 32 HD13 LEU 4 3HD2 LEU 4 7.448 -4.439 -7.511 33 HD21 LEU 4 1HD1 LEU 4 8.842 -1.781 -7.336 34 HD22 LEU 4 2HD1 LEU 4 8.332 -1.213 -5.728 35 HD23 LEU 4 3HD1 LEU 4 7.589 -0.526 -7.192 36 H TRP 5 H TRP 5 2.671 -2.660 -7.679 37 HA TRP 5 HA TRP 5 0.862 -2.204 -8.870 38 HB2 TRP 5 3HB TRP 5 2.001 -4.082 -10.949 39 HB3 TRP 5 2HB TRP 5 1.056 -4.572 -9.557 40 HD1 TRP 5 HD1 TRP 5 -1.583 -3.400 -9.540 41 HE1 TRP 5 HE1 TRP 5 -3.305 -3.077 -11.514 42 HE3 TRP 5 HE3 TRP 5 1.845 -3.725 -13.281 43 HZ2 TRP 5 HZ2 TRP 5 -3.045 -2.996 -14.355 44 HZ3 TRP 5 HZ3 TRP 5 1.028 -3.513 -15.626 45 HH2 TRP 5 HH2 TRP 5 -1.324 -3.160 -16.191 46 H THR 6 H THR 6 3.677 -0.889 -9.206 47 HA THR 6 HA THR 6 3.415 0.253 -11.869 48 HB THR 6 HB THR 6 5.473 0.472 -9.613 49 HG1 THR 6 HG1 THR 6 6.639 -0.682 -11.441 50 HG21 THR 6 1HG2 THR 6 5.134 2.003 -12.170 51 HG22 THR 6 2HG2 THR 6 6.747 1.299 -11.898 52 HG23 THR 6 3HG2 THR 6 6.058 2.433 -10.710 53 H ALA 7 H ALA 7 4.210 1.892 -8.757 54 HA ALA 7 HA ALA 7 1.847 3.344 -8.571 55 HB1 ALA 7 1HB ALA 7 3.494 4.203 -10.730 56 HB2 ALA 7 2HB ALA 7 3.645 5.424 -9.443 57 HB3 ALA 7 3HB ALA 7 2.039 4.995 -10.080 58 H CYS 8 H CYS 8 2.133 3.010 -6.441 59 HA CYS 8 HA CYS 8 3.656 4.831 -4.945 60 HB2 CYS 8 2HB CYS 8 1.573 3.200 -4.380 61 HB3 CYS 8 3HB CYS 8 2.880 2.303 -3.615 62 H GLY 9 H GLY 9 4.424 1.715 -6.241 63 HA2 GLY 9 2HA GLY 9 6.648 1.203 -4.491 64 HA3 GLY 9 3HA GLY 9 6.249 0.321 -5.957 Start of MODEL 4 1 H1 CYS 1 H CYS 1 1.734 0.065 0.805 2 HA CYS 1 HA CYS 1 0.419 -0.776 -1.550 3 HB2 CYS 1 2HB CYS 1 1.352 0.646 -3.209 4 HB3 CYS 1 3HB CYS 1 0.676 1.711 -1.981 5 H ARG 2 H ARG 2 2.552 -1.028 -3.377 6 HA ARG 2 HA ARG 2 4.168 -2.854 -1.845 7 HB2 ARG 2 3HB ARG 2 6.205 -1.971 -3.282 8 HB3 ARG 2 2HB ARG 2 5.238 -0.522 -3.478 9 HG2 ARG 2 3HG ARG 2 5.676 0.177 -1.357 10 HG3 ARG 2 2HG ARG 2 5.259 -1.383 -0.675 11 HD2 ARG 2 3HD ARG 2 7.943 -0.675 -1.961 12 HD3 ARG 2 2HD ARG 2 7.646 -0.808 -0.239 13 HE ARG 2 HE ARG 2 8.094 -3.000 -2.067 14 HH11 ARG 2 1HH1 ARG 2 7.111 -5.485 0.177 15 HH12 ARG 2 2HH1 ARG 2 7.941 -5.149 -1.306 16 HH21 ARG 2 1HH2 ARG 2 6.155 -3.753 1.390 17 HH22 ARG 2 2HH2 ARG 2 6.271 -2.124 0.812 18 HA PRO 3 HA PRO 3 3.664 -5.178 -5.500 19 HB2 PRO 3 3HB PRO 3 4.220 -7.142 -4.434 20 HB3 PRO 3 2HB PRO 3 5.718 -6.973 -5.328 21 HG2 PRO 3 3HG PRO 3 5.502 -6.878 -2.535 22 HG3 PRO 3 2HG PRO 3 6.878 -6.299 -3.453 23 HD2 PRO 3 3HD PRO 3 4.939 -4.724 -1.959 24 HD3 PRO 3 2HD PRO 3 6.380 -4.158 -2.780 25 H LEU 4 H LEU 4 4.309 -2.908 -6.442 26 HA LEU 4 HA LEU 4 6.609 -3.504 -8.170 27 HB2 LEU 4 3HB LEU 4 6.173 -0.711 -8.048 28 HB3 LEU 4 2HB LEU 4 6.144 -1.298 -6.397 29 HG LEU 4 HG LEU 4 8.383 -1.622 -8.409 30 HD11 LEU 4 1HD2 LEU 4 8.880 0.420 -7.629 31 HD12 LEU 4 2HD2 LEU 4 9.450 -0.452 -6.186 32 HD13 LEU 4 3HD2 LEU 4 7.816 0.253 -6.212 33 HD21 LEU 4 1HD1 LEU 4 9.502 -2.520 -6.152 34 HD22 LEU 4 2HD1 LEU 4 8.700 -3.589 -7.328 35 HD23 LEU 4 3HD1 LEU 4 7.831 -3.061 -5.866 36 H TRP 5 H TRP 5 3.340 -2.066 -7.806 37 HA TRP 5 HA TRP 5 1.771 -1.565 -9.289 38 HB2 TRP 5 3HB TRP 5 3.050 -3.747 -10.945 39 HB3 TRP 5 2HB TRP 5 1.937 -4.015 -9.618 40 HD1 TRP 5 HD1 TRP 5 1.871 -3.720 -13.271 41 HE1 TRP 5 HE1 TRP 5 -0.528 -3.272 -14.273 42 HE3 TRP 5 HE3 TRP 5 -0.296 -2.400 -8.865 43 HZ2 TRP 5 HZ2 TRP 5 -3.008 -2.434 -13.136 44 HZ3 TRP 5 HZ3 TRP 5 -2.711 -1.781 -8.898 45 HH2 TRP 5 HH2 TRP 5 -4.059 -1.783 -10.937 46 H THR 6 H THR 6 4.293 -0.047 -9.306 47 HA THR 6 HA THR 6 4.086 0.997 -12.033 48 HB THR 6 HB THR 6 6.682 1.225 -11.889 49 HG1 THR 6 HG1 THR 6 6.984 0.635 -9.698 50 HG21 THR 6 1HG2 THR 6 6.752 -0.618 -13.239 51 HG22 THR 6 2HG2 THR 6 5.060 -0.943 -12.793 52 HG23 THR 6 3HG2 THR 6 6.384 -1.682 -11.860 53 H ALA 7 H ALA 7 5.517 1.472 -8.737 54 HA ALA 7 HA ALA 7 4.432 4.175 -8.815 55 HB1 ALA 7 1HB ALA 7 6.449 5.256 -8.584 56 HB2 ALA 7 2HB ALA 7 6.994 3.872 -9.562 57 HB3 ALA 7 3HB ALA 7 7.230 3.863 -7.798 58 H CYS 8 H CYS 8 3.174 2.335 -7.518 59 HA CYS 8 HA CYS 8 4.184 1.931 -4.836 60 HB2 CYS 8 2HB CYS 8 2.878 4.280 -5.244 61 HB3 CYS 8 3HB CYS 8 1.531 3.228 -4.819 62 H GLY 9 H GLY 9 1.009 2.031 -6.473 63 HA2 GLY 9 2HA GLY 9 -0.566 0.393 -6.805 64 HA3 GLY 9 3HA GLY 9 0.736 -0.775 -6.645 Start of MODEL 5 1 H1 CYS 1 H CYS 1 1.452 0.911 1.075 2 HA CYS 1 HA CYS 1 1.494 -0.281 -1.115 3 HB2 CYS 1 2HB CYS 1 3.142 2.000 -0.373 4 HB3 CYS 1 3HB CYS 1 3.819 1.118 -1.738 5 H ARG 2 H ARG 2 3.332 -0.987 -2.819 6 HA ARG 2 HA ARG 2 4.747 -3.068 -1.404 7 HB2 ARG 2 3HB ARG 2 6.674 -2.510 -3.214 8 HB3 ARG 2 2HB ARG 2 5.987 -0.901 -3.106 9 HG2 ARG 2 3HG ARG 2 7.357 -0.639 -1.298 10 HG3 ARG 2 2HG ARG 2 6.154 -1.573 -0.431 11 HD2 ARG 2 3HD ARG 2 8.169 -3.173 -1.967 12 HD3 ARG 2 2HD ARG 2 8.796 -2.284 -0.593 13 HE ARG 2 HE ARG 2 7.054 -4.610 -0.496 14 HH11 ARG 2 1HH1 ARG 2 6.545 -4.405 2.950 15 HH12 ARG 2 2HH1 ARG 2 6.394 -5.404 1.542 16 HH21 ARG 2 1HH2 ARG 2 7.417 -2.262 2.764 17 HH22 ARG 2 2HH2 ARG 2 7.917 -1.661 1.219 18 HA PRO 3 HA PRO 3 3.572 -5.369 -4.918 19 HB2 PRO 3 3HB PRO 3 4.199 -7.366 -3.959 20 HB3 PRO 3 2HB PRO 3 5.514 -7.282 -5.115 21 HG2 PRO 3 3HG PRO 3 5.823 -7.184 -2.331 22 HG3 PRO 3 2HG PRO 3 7.038 -6.684 -3.491 23 HD2 PRO 3 3HD PRO 3 5.504 -5.004 -1.677 24 HD3 PRO 3 2HD PRO 3 6.799 -4.520 -2.754 25 H LEU 4 H LEU 4 4.182 -3.126 -5.965 26 HA LEU 4 HA LEU 4 6.122 -3.830 -8.058 27 HB2 LEU 4 3HB LEU 4 5.722 -1.020 -7.916 28 HB3 LEU 4 2HB LEU 4 6.005 -1.593 -6.284 29 HG LEU 4 HG LEU 4 8.048 -0.842 -7.514 30 HD11 LEU 4 1HD2 LEU 4 9.357 -2.253 -6.329 31 HD12 LEU 4 2HD2 LEU 4 8.557 -3.712 -6.962 32 HD13 LEU 4 3HD2 LEU 4 7.792 -2.771 -5.658 33 HD21 LEU 4 1HD1 LEU 4 8.536 -1.560 -9.554 34 HD22 LEU 4 2HD1 LEU 4 7.021 -2.494 -9.560 35 HD23 LEU 4 3HD1 LEU 4 8.531 -3.253 -9.002 36 H TRP 5 H TRP 5 2.947 -2.416 -7.200 37 HA TRP 5 HA TRP 5 1.116 -2.079 -8.396 38 HB2 TRP 5 3HB TRP 5 2.372 -3.922 -10.437 39 HB3 TRP 5 2HB TRP 5 1.474 -4.444 -9.026 40 HD1 TRP 5 HD1 TRP 5 -1.243 -3.480 -9.014 41 HE1 TRP 5 HE1 TRP 5 -2.996 -3.321 -10.980 42 HE3 TRP 5 HE3 TRP 5 2.177 -3.608 -12.775 43 HZ2 TRP 5 HZ2 TRP 5 -2.761 -3.267 -13.823 44 HZ3 TRP 5 HZ3 TRP 5 1.331 -3.498 -15.117 45 HH2 TRP 5 HH2 TRP 5 -1.044 -3.333 -15.670 46 H THR 6 H THR 6 3.658 -0.432 -8.662 47 HA THR 6 HA THR 6 3.369 0.577 -11.393 48 HB THR 6 HB THR 6 5.483 1.806 -10.773 49 HG1 THR 6 HG1 THR 6 6.301 1.001 -8.584 50 HG21 THR 6 1HG2 THR 6 5.618 -1.128 -9.907 51 HG22 THR 6 2HG2 THR 6 6.963 -0.132 -10.515 52 HG23 THR 6 3HG2 THR 6 5.638 -0.602 -11.608 53 H ALA 7 H ALA 7 1.242 0.884 -9.308 54 HA ALA 7 HA ALA 7 -0.083 2.456 -8.480 55 HB1 ALA 7 1HB ALA 7 -0.806 3.870 -10.105 56 HB2 ALA 7 2HB ALA 7 0.387 3.028 -11.123 57 HB3 ALA 7 3HB ALA 7 0.810 4.574 -10.349 58 H CYS 8 H CYS 8 1.873 2.226 -6.854 59 HA CYS 8 HA CYS 8 2.134 4.648 -5.517 60 HB2 CYS 8 2HB CYS 8 2.754 2.011 -4.976 61 HB3 CYS 8 3HB CYS 8 4.332 2.792 -4.988 62 H GLY 9 H GLY 9 4.259 3.117 -7.868 63 HA2 GLY 9 2HA GLY 9 5.382 5.305 -8.976 64 HA3 GLY 9 3HA GLY 9 6.339 5.098 -7.517 Start of MODEL 6 1 H1 CYS 1 H CYS 1 1.082 0.340 0.134 2 HA CYS 1 HA CYS 1 0.912 -1.624 -1.403 3 HB2 CYS 1 2HB CYS 1 2.050 -0.484 -3.388 4 HB3 CYS 1 3HB CYS 1 0.804 0.437 -2.551 5 H ARG 2 H ARG 2 2.608 -2.375 -3.407 6 HA ARG 2 HA ARG 2 4.336 -4.068 -2.011 7 HB2 ARG 2 3HB ARG 2 6.153 -2.704 -3.827 8 HB3 ARG 2 2HB ARG 2 5.451 -1.520 -2.742 9 HG2 ARG 2 3HG ARG 2 6.131 -3.876 -1.201 10 HG3 ARG 2 2HG ARG 2 7.519 -3.436 -2.176 11 HD2 ARG 2 3HD ARG 2 6.012 -1.624 -0.232 12 HD3 ARG 2 2HD ARG 2 7.641 -2.240 -0.039 13 HE ARG 2 HE ARG 2 7.768 -0.898 -2.457 14 HH11 ARG 2 1HH1 ARG 2 8.051 2.418 -1.410 15 HH12 ARG 2 2HH1 ARG 2 8.321 1.305 -2.709 16 HH21 ARG 2 1HH2 ARG 2 7.128 1.674 0.585 17 HH22 ARG 2 2HH2 ARG 2 6.709 0.004 0.775 18 HA PRO 3 HA PRO 3 3.874 -6.118 -5.832 19 HB2 PRO 3 3HB PRO 3 4.443 -8.153 -4.920 20 HB3 PRO 3 2HB PRO 3 5.935 -7.911 -5.806 21 HG2 PRO 3 3HG PRO 3 5.734 -8.027 -3.013 22 HG3 PRO 3 2HG PRO 3 7.103 -7.375 -3.892 23 HD2 PRO 3 3HD PRO 3 5.167 -5.925 -2.274 24 HD3 PRO 3 2HD PRO 3 6.601 -5.293 -3.058 25 H LEU 4 H LEU 4 4.532 -3.762 -6.572 26 HA LEU 4 HA LEU 4 6.767 -4.250 -8.415 27 HB2 LEU 4 3HB LEU 4 6.554 -1.487 -8.024 28 HB3 LEU 4 2HB LEU 4 6.410 -2.180 -6.421 29 HG LEU 4 HG LEU 4 8.699 -2.527 -8.371 30 HD11 LEU 4 1HD2 LEU 4 8.530 -1.235 -5.635 31 HD12 LEU 4 2HD2 LEU 4 8.719 -0.405 -7.198 32 HD13 LEU 4 3HD2 LEU 4 10.019 -1.456 -6.585 33 HD21 LEU 4 1HD1 LEU 4 7.878 -4.199 -6.083 34 HD22 LEU 4 2HD1 LEU 4 9.585 -3.694 -6.083 35 HD23 LEU 4 3HD1 LEU 4 8.918 -4.576 -7.477 36 H TRP 5 H TRP 5 3.596 -2.693 -7.762 37 HA TRP 5 HA TRP 5 1.943 -2.115 -9.115 38 HB2 TRP 5 3HB TRP 5 3.342 -3.795 -11.204 39 HB3 TRP 5 2HB TRP 5 2.241 -4.409 -9.988 40 HD1 TRP 5 HD1 TRP 5 2.170 -3.321 -13.485 41 HE1 TRP 5 HE1 TRP 5 -0.246 -2.785 -14.400 42 HE3 TRP 5 HE3 TRP 5 -0.077 -3.111 -8.929 43 HZ2 TRP 5 HZ2 TRP 5 -2.770 -2.343 -13.143 44 HZ3 TRP 5 HZ3 TRP 5 -2.521 -2.621 -8.862 45 HH2 TRP 5 HH2 TRP 5 -3.860 -2.244 -10.871 46 H THR 6 H THR 6 4.663 -0.691 -8.918 47 HA THR 6 HA THR 6 4.113 1.203 -11.051 48 HB THR 6 HB THR 6 6.605 1.164 -11.658 49 HG1 THR 6 HG1 THR 6 6.349 -1.422 -10.308 50 HG21 THR 6 1HG2 THR 6 5.246 -1.552 -12.033 51 HG22 THR 6 2HG2 THR 6 6.497 -0.825 -13.069 52 HG23 THR 6 3HG2 THR 6 4.860 -0.127 -13.027 53 H ALA 7 H ALA 7 3.805 1.013 -8.076 54 HA ALA 7 HA ALA 7 4.636 3.598 -7.478 55 HB1 ALA 7 1HB ALA 7 6.479 1.374 -6.550 56 HB2 ALA 7 2HB ALA 7 6.363 2.929 -5.691 57 HB3 ALA 7 3HB ALA 7 6.902 2.887 -7.387 58 H CYS 8 H CYS 8 2.615 3.765 -6.687 59 HA CYS 8 HA CYS 8 1.665 1.905 -4.653 60 HB2 CYS 8 2HB CYS 8 2.950 4.202 -3.856 61 HB3 CYS 8 3HB CYS 8 1.261 4.699 -3.857 62 H GLY 9 H GLY 9 1.037 4.814 -6.574 63 HA2 GLY 9 2HA GLY 9 -1.240 3.993 -7.830 64 HA3 GLY 9 3HA GLY 9 -1.818 4.605 -6.287 Start of MODEL 7 1 H1 CYS 1 H CYS 1 0.767 1.467 -0.383 2 HA CYS 1 HA CYS 1 1.288 0.614 -2.892 3 HB2 CYS 1 2HB CYS 1 3.065 2.198 -3.018 4 HB3 CYS 1 3HB CYS 1 1.890 2.852 -1.882 5 H ARG 2 H ARG 2 2.886 -0.602 -4.037 6 HA ARG 2 HA ARG 2 4.379 -2.337 -2.244 7 HB2 ARG 2 3HB ARG 2 6.218 -2.343 -4.029 8 HB3 ARG 2 2HB ARG 2 5.365 -1.039 -4.831 9 HG2 ARG 2 3HG ARG 2 6.652 0.323 -3.517 10 HG3 ARG 2 2HG ARG 2 5.473 -0.041 -2.272 11 HD2 ARG 2 3HD ARG 2 7.115 -2.223 -2.006 12 HD3 ARG 2 2HD ARG 2 8.278 -1.045 -2.582 13 HE ARG 2 HE ARG 2 8.002 0.207 -0.591 14 HH11 ARG 2 1HH1 ARG 2 6.133 -0.610 2.241 15 HH12 ARG 2 2HH1 ARG 2 7.358 0.428 1.591 16 HH21 ARG 2 1HH2 ARG 2 5.145 -2.224 0.896 17 HH22 ARG 2 2HH2 ARG 2 5.634 -2.390 -0.758 18 HA PRO 3 HA PRO 3 2.824 -5.515 -4.793 19 HB2 PRO 3 3HB PRO 3 3.525 -7.161 -3.345 20 HB3 PRO 3 2HB PRO 3 4.726 -7.465 -4.584 21 HG2 PRO 3 3HG PRO 3 5.295 -6.564 -1.992 22 HG3 PRO 3 2HG PRO 3 6.399 -6.469 -3.349 23 HD2 PRO 3 3HD PRO 3 5.051 -4.278 -1.987 24 HD3 PRO 3 2HD PRO 3 6.243 -4.177 -3.267 25 H LEU 4 H LEU 4 3.364 -3.690 -6.499 26 HA LEU 4 HA LEU 4 4.727 -5.201 -8.590 27 HB2 LEU 4 3HB LEU 4 5.373 -2.425 -8.860 28 HB3 LEU 4 2HB LEU 4 5.850 -2.961 -7.261 29 HG LEU 4 HG LEU 4 6.727 -4.143 -9.909 30 HD11 LEU 4 1HD2 LEU 4 9.001 -3.458 -8.634 31 HD12 LEU 4 2HD2 LEU 4 7.903 -2.214 -7.990 32 HD13 LEU 4 3HD2 LEU 4 8.127 -2.379 -9.748 33 HD21 LEU 4 1HD1 LEU 4 8.309 -5.459 -8.312 34 HD22 LEU 4 2HD1 LEU 4 6.648 -6.037 -8.587 35 HD23 LEU 4 3HD1 LEU 4 7.046 -5.149 -7.097 36 H TRP 5 H TRP 5 3.618 -1.782 -8.554 37 HA TRP 5 HA TRP 5 1.027 -2.180 -9.408 38 HB2 TRP 5 3HB TRP 5 2.309 -1.437 -11.910 39 HB3 TRP 5 2HB TRP 5 2.773 -3.047 -11.397 40 HD1 TRP 5 HD1 TRP 5 -0.603 -1.098 -11.802 41 HE1 TRP 5 HE1 TRP 5 -2.486 -2.705 -12.716 42 HE3 TRP 5 HE3 TRP 5 2.275 -5.289 -11.872 43 HZ2 TRP 5 HZ2 TRP 5 -2.559 -5.486 -13.351 44 HZ3 TRP 5 HZ3 TRP 5 1.221 -7.409 -12.653 45 HH2 TRP 5 HH2 TRP 5 -1.109 -7.550 -13.376 46 H THR 6 H THR 6 4.126 -0.393 -9.716 47 HA THR 6 HA THR 6 3.179 2.103 -10.389 48 HB THR 6 HB THR 6 5.298 2.840 -9.137 49 HG1 THR 6 HG1 THR 6 4.869 0.907 -7.613 50 HG21 THR 6 1HG2 THR 6 6.572 2.111 -10.899 51 HG22 THR 6 2HG2 THR 6 5.102 1.295 -11.483 52 HG23 THR 6 3HG2 THR 6 6.279 0.405 -10.487 53 H ALA 7 H ALA 7 2.968 0.376 -7.289 54 HA ALA 7 HA ALA 7 1.848 0.840 -5.439 55 HB1 ALA 7 1HB ALA 7 0.281 1.870 -7.510 56 HB2 ALA 7 2HB ALA 7 0.365 3.202 -6.333 57 HB3 ALA 7 3HB ALA 7 -0.237 1.605 -5.828 58 H CYS 8 H CYS 8 4.353 1.763 -5.575 59 HA CYS 8 HA CYS 8 4.231 4.392 -4.249 60 HB2 CYS 8 2HB CYS 8 5.248 1.891 -3.318 61 HB3 CYS 8 3HB CYS 8 6.600 3.003 -3.501 62 H GLY 9 H GLY 9 6.827 2.331 -5.567 63 HA2 GLY 9 2HA GLY 9 7.711 4.667 -7.149 64 HA3 GLY 9 3HA GLY 9 8.837 3.587 -6.340 Start of MODEL 8 1 H1 CYS 1 H CYS 1 1.396 -0.690 -2.523 2 HA CYS 1 HA CYS 1 3.351 1.192 -2.973 3 HB2 CYS 1 2HB CYS 1 2.661 1.018 -0.031 4 HB3 CYS 1 3HB CYS 1 4.073 1.830 -0.700 5 H ARG 2 H ARG 2 3.752 -1.118 -3.883 6 HA ARG 2 HA ARG 2 4.884 -2.810 -1.836 7 HB2 ARG 2 3HB ARG 2 6.730 -2.967 -3.987 8 HB3 ARG 2 2HB ARG 2 6.425 -1.252 -3.797 9 HG2 ARG 2 3HG ARG 2 6.798 -1.659 -1.241 10 HG3 ARG 2 2HG ARG 2 7.475 -3.205 -1.713 11 HD2 ARG 2 3HD ARG 2 9.433 -2.235 -2.345 12 HD3 ARG 2 2HD ARG 2 8.601 -1.104 -3.393 13 HE ARG 2 HE ARG 2 9.450 -0.624 -0.614 14 HH11 ARG 2 1HH1 ARG 2 8.338 2.683 -0.702 15 HH12 ARG 2 2HH1 ARG 2 9.263 1.512 0.177 16 HH21 ARG 2 1HH2 ARG 2 7.287 2.082 -2.682 17 HH22 ARG 2 2HH2 ARG 2 7.429 0.463 -3.281 18 HA PRO 3 HA PRO 3 3.406 -5.944 -4.484 19 HB2 PRO 3 3HB PRO 3 3.853 -7.612 -2.961 20 HB3 PRO 3 2HB PRO 3 5.132 -8.025 -4.086 21 HG2 PRO 3 3HG PRO 3 5.539 -7.122 -1.465 22 HG3 PRO 3 2HG PRO 3 6.761 -7.132 -2.721 23 HD2 PRO 3 3HD PRO 3 5.468 -4.824 -1.508 24 HD3 PRO 3 2HD PRO 3 6.771 -4.834 -2.680 25 H LEU 4 H LEU 4 4.215 -4.203 -6.163 26 HA LEU 4 HA LEU 4 5.896 -5.773 -7.991 27 HB2 LEU 4 3HB LEU 4 5.910 -2.807 -8.154 28 HB3 LEU 4 2HB LEU 4 6.750 -3.532 -6.797 29 HG LEU 4 HG LEU 4 7.279 -4.165 -9.714 30 HD11 LEU 4 1HD2 LEU 4 7.891 -1.839 -8.961 31 HD12 LEU 4 2HD2 LEU 4 9.237 -2.828 -9.577 32 HD13 LEU 4 3HD2 LEU 4 9.037 -2.589 -7.824 33 HD21 LEU 4 1HD1 LEU 4 9.452 -5.091 -8.525 34 HD22 LEU 4 2HD1 LEU 4 7.985 -6.085 -8.698 35 HD23 LEU 4 3HD1 LEU 4 8.336 -5.277 -7.151 36 H TRP 5 H TRP 5 3.988 -2.705 -8.261 37 HA TRP 5 HA TRP 5 1.811 -3.873 -9.570 38 HB2 TRP 5 3HB TRP 5 3.942 -2.763 -11.401 39 HB3 TRP 5 2HB TRP 5 3.354 -4.413 -11.345 40 HD1 TRP 5 HD1 TRP 5 0.538 -4.598 -11.999 41 HE1 TRP 5 HE1 TRP 5 -0.828 -3.403 -13.915 42 HE3 TRP 5 HE3 TRP 5 3.847 -0.803 -12.712 43 HZ2 TRP 5 HZ2 TRP 5 -0.382 -1.057 -15.478 44 HZ3 TRP 5 HZ3 TRP 5 3.305 0.898 -14.452 45 HH2 TRP 5 HH2 TRP 5 1.275 0.814 -15.811 46 H THR 6 H THR 6 4.078 -1.093 -9.227 47 HA THR 6 HA THR 6 2.364 0.973 -9.842 48 HB THR 6 HB THR 6 4.759 1.297 -9.476 49 HG1 THR 6 HG1 THR 6 4.454 2.957 -7.638 50 HG21 THR 6 1HG2 THR 6 4.241 0.725 -6.516 51 HG22 THR 6 2HG2 THR 6 5.807 1.065 -7.292 52 HG23 THR 6 3HG2 THR 6 4.968 -0.471 -7.616 53 H ALA 7 H ALA 7 2.748 -0.764 -6.701 54 HA ALA 7 HA ALA 7 1.512 -0.729 -4.860 55 HB1 ALA 7 1HB ALA 7 -0.731 -0.300 -6.875 56 HB2 ALA 7 2HB ALA 7 -0.926 -0.905 -5.213 57 HB3 ALA 7 3HB ALA 7 -0.032 -1.870 -6.413 58 H CYS 8 H CYS 8 2.787 1.520 -5.000 59 HA CYS 8 HA CYS 8 1.116 3.395 -3.653 60 HB2 CYS 8 2HB CYS 8 3.881 2.906 -3.870 61 HB3 CYS 8 3HB CYS 8 3.631 4.540 -4.477 62 H GLY 9 H GLY 9 2.072 2.947 -6.931 63 HA2 GLY 9 2HA GLY 9 1.979 5.513 -7.973 64 HA3 GLY 9 3HA GLY 9 1.493 4.069 -8.849 Start of MODEL 9 1 H1 CYS 1 H CYS 1 1.130 -2.399 1.448 2 HA CYS 1 HA CYS 1 0.718 -2.063 -0.993 3 HB2 CYS 1 2HB CYS 1 0.993 0.482 -0.528 4 HB3 CYS 1 3HB CYS 1 2.710 0.173 -0.766 5 H ARG 2 H ARG 2 2.401 -2.621 -2.705 6 HA ARG 2 HA ARG 2 4.297 -4.310 -1.469 7 HB2 ARG 2 3HB ARG 2 5.625 -2.242 -1.386 8 HB3 ARG 2 2HB ARG 2 6.312 -3.308 -2.595 9 HG2 ARG 2 3HG ARG 2 6.184 -1.516 -4.000 10 HG3 ARG 2 2HG ARG 2 4.475 -1.891 -4.110 11 HD2 ARG 2 3HD ARG 2 4.538 0.422 -3.519 12 HD3 ARG 2 2HD ARG 2 4.150 -0.397 -2.020 13 HE ARG 2 HE ARG 2 6.825 0.730 -2.738 14 HH11 ARG 2 1HH1 ARG 2 7.677 0.855 0.644 15 HH12 ARG 2 2HH1 ARG 2 8.165 1.266 -0.967 16 HH21 ARG 2 1HH2 ARG 2 5.661 -0.240 1.001 17 HH22 ARG 2 2HH2 ARG 2 4.646 -0.646 -0.342 18 HA PRO 3 HA PRO 3 3.738 -6.272 -5.322 19 HB2 PRO 3 3HB PRO 3 4.585 -8.267 -4.544 20 HB3 PRO 3 2HB PRO 3 5.963 -7.845 -5.541 21 HG2 PRO 3 3HG PRO 3 6.018 -8.070 -2.748 22 HG3 PRO 3 2HG PRO 3 7.233 -7.254 -3.711 23 HD2 PRO 3 3HD PRO 3 5.310 -6.062 -1.880 24 HD3 PRO 3 2HD PRO 3 6.601 -5.262 -2.754 25 H LEU 4 H LEU 4 3.933 -3.972 -6.199 26 HA LEU 4 HA LEU 4 6.013 -4.161 -8.242 27 HB2 LEU 4 3HB LEU 4 5.836 -1.450 -7.670 28 HB3 LEU 4 2HB LEU 4 5.857 -2.206 -6.089 29 HG LEU 4 HG LEU 4 8.098 -1.550 -6.883 30 HD11 LEU 4 1HD2 LEU 4 9.041 -3.233 -5.749 31 HD12 LEU 4 2HD2 LEU 4 8.415 -4.471 -6.865 32 HD13 LEU 4 3HD2 LEU 4 7.378 -3.839 -5.564 33 HD21 LEU 4 1HD1 LEU 4 8.681 -1.851 -9.001 34 HD22 LEU 4 2HD1 LEU 4 7.231 -2.838 -9.301 35 HD23 LEU 4 3HD1 LEU 4 8.725 -3.607 -8.714 36 H TRP 5 H TRP 5 3.376 -1.896 -7.169 37 HA TRP 5 HA TRP 5 1.601 -1.113 -8.234 38 HB2 TRP 5 3HB TRP 5 1.822 -3.580 -9.969 39 HB3 TRP 5 2HB TRP 5 1.022 -3.509 -8.411 40 HD1 TRP 5 HD1 TRP 5 -1.049 -1.397 -8.427 41 HE1 TRP 5 HE1 TRP 5 -2.956 -1.002 -10.209 42 HE3 TRP 5 HE3 TRP 5 1.242 -3.906 -12.210 43 HZ2 TRP 5 HZ2 TRP 5 -3.285 -1.766 -12.938 44 HZ3 TRP 5 HZ3 TRP 5 0.060 -4.035 -14.402 45 HH2 TRP 5 HH2 TRP 5 -2.126 -3.016 -14.798 46 H THR 6 H THR 6 4.316 -0.289 -8.941 47 HA THR 6 HA THR 6 4.171 0.103 -11.833 48 HB THR 6 HB THR 6 6.524 1.084 -11.319 49 HG1 THR 6 HG1 THR 6 7.157 0.790 -9.148 50 HG21 THR 6 1HG2 THR 6 7.501 -1.202 -10.687 51 HG22 THR 6 2HG2 THR 6 6.458 -1.219 -12.129 52 HG23 THR 6 3HG2 THR 6 5.828 -1.801 -10.569 53 H ALA 7 H ALA 7 4.347 2.000 -8.761 54 HA ALA 7 HA ALA 7 2.643 3.983 -9.833 55 HB1 ALA 7 1HB ALA 7 5.623 4.415 -9.909 56 HB2 ALA 7 2HB ALA 7 4.551 5.788 -9.545 57 HB3 ALA 7 3HB ALA 7 4.376 4.906 -11.081 58 H CYS 8 H CYS 8 2.796 2.243 -7.620 59 HA CYS 8 HA CYS 8 2.025 3.856 -5.521 60 HB2 CYS 8 2HB CYS 8 1.554 1.437 -5.660 61 HB3 CYS 8 3HB CYS 8 3.249 1.096 -5.324 62 H GLY 9 H GLY 9 5.014 1.922 -5.370 63 HA2 GLY 9 2HA GLY 9 6.255 4.177 -3.918 64 HA3 GLY 9 3HA GLY 9 6.581 2.489 -3.554 Start of MODEL 10 1 H1 CYS 1 H CYS 1 0.019 0.127 0.768 2 HA CYS 1 HA CYS 1 0.383 -0.847 -1.372 3 HB2 CYS 1 2HB CYS 1 1.485 1.570 -0.776 4 HB3 CYS 1 3HB CYS 1 2.896 0.698 -1.365 5 H ARG 2 H ARG 2 2.390 -1.504 -2.964 6 HA ARG 2 HA ARG 2 3.607 -3.669 -1.505 7 HB2 ARG 2 3HB ARG 2 5.631 -2.766 -3.307 8 HB3 ARG 2 2HB ARG 2 5.062 -1.326 -2.485 9 HG2 ARG 2 3HG ARG 2 5.528 -3.732 -0.755 10 HG3 ARG 2 2HG ARG 2 6.958 -2.994 -1.447 11 HD2 ARG 2 3HD ARG 2 4.833 -1.386 0.043 12 HD3 ARG 2 2HD ARG 2 6.225 -2.085 0.844 13 HE ARG 2 HE ARG 2 6.231 0.208 -1.003 14 HH11 ARG 2 1HH1 ARG 2 9.662 0.702 -0.601 15 HH12 ARG 2 2HH1 ARG 2 8.187 1.369 -1.217 16 HH21 ARG 2 1HH2 ARG 2 9.651 -1.371 0.442 17 HH22 ARG 2 2HH2 ARG 2 8.168 -2.251 0.604 18 HA PRO 3 HA PRO 3 2.881 -5.734 -5.278 19 HB2 PRO 3 3HB PRO 3 3.403 -7.792 -4.388 20 HB3 PRO 3 2HB PRO 3 4.842 -7.635 -5.376 21 HG2 PRO 3 3HG PRO 3 4.828 -7.724 -2.575 22 HG3 PRO 3 2HG PRO 3 6.166 -7.152 -3.552 23 HD2 PRO 3 3HD PRO 3 4.425 -5.591 -1.819 24 HD3 PRO 3 2HD PRO 3 5.833 -5.041 -2.705 25 H LEU 4 H LEU 4 3.548 -3.458 -6.145 26 HA LEU 4 HA LEU 4 5.738 -4.015 -8.024 27 HB2 LEU 4 3HB LEU 4 5.242 -1.210 -7.694 28 HB3 LEU 4 2HB LEU 4 5.469 -1.940 -6.117 29 HG LEU 4 HG LEU 4 7.538 -1.011 -7.198 30 HD11 LEU 4 1HD2 LEU 4 8.710 -2.378 -5.889 31 HD12 LEU 4 2HD2 LEU 4 8.315 -3.801 -6.883 32 HD13 LEU 4 3HD2 LEU 4 7.190 -3.262 -5.613 33 HD21 LEU 4 1HD1 LEU 4 8.299 -1.665 -9.193 34 HD22 LEU 4 2HD1 LEU 4 6.673 -2.344 -9.446 35 HD23 LEU 4 3HD1 LEU 4 7.990 -3.385 -8.853 36 H TRP 5 H TRP 5 2.491 -2.603 -7.449 37 HA TRP 5 HA TRP 5 0.849 -2.058 -8.832 38 HB2 TRP 5 3HB TRP 5 2.085 -4.122 -10.663 39 HB3 TRP 5 2HB TRP 5 1.034 -4.482 -9.307 40 HD1 TRP 5 HD1 TRP 5 -1.583 -3.345 -9.569 41 HE1 TRP 5 HE1 TRP 5 -3.149 -3.114 -11.680 42 HE3 TRP 5 HE3 TRP 5 2.118 -3.831 -13.021 43 HZ2 TRP 5 HZ2 TRP 5 -2.675 -3.160 -14.494 44 HZ3 TRP 5 HZ3 TRP 5 1.481 -3.726 -15.429 45 HH2 TRP 5 HH2 TRP 5 -0.820 -3.404 -16.185 46 H THR 6 H THR 6 3.374 -0.521 -8.879 47 HA THR 6 HA THR 6 3.335 0.394 -11.679 48 HB THR 6 HB THR 6 5.504 0.322 -9.529 49 HG1 THR 6 HG1 THR 6 5.488 -1.529 -10.840 50 HG21 THR 6 1HG2 THR 6 6.737 1.224 -11.819 51 HG22 THR 6 2HG2 THR 6 6.247 2.297 -10.486 52 HG23 THR 6 3HG2 THR 6 5.196 2.110 -11.910 53 H ALA 7 H ALA 7 4.473 1.979 -8.653 54 HA ALA 7 HA ALA 7 2.268 3.648 -8.341 55 HB1 ALA 7 1HB ALA 7 3.947 4.345 -10.574 56 HB2 ALA 7 2HB ALA 7 4.125 5.587 -9.311 57 HB3 ALA 7 3HB ALA 7 2.511 5.194 -9.951 58 H CYS 8 H CYS 8 2.690 3.220 -6.232 59 HA CYS 8 HA CYS 8 4.259 4.938 -4.752 60 HB2 CYS 8 2HB CYS 8 4.003 3.234 -2.894 61 HB3 CYS 8 3HB CYS 8 2.505 3.768 -3.650 62 H GLY 9 H GLY 9 5.027 1.641 -5.823 63 HA2 GLY 9 2HA GLY 9 7.451 1.286 -4.526 64 HA3 GLY 9 3HA GLY 9 7.046 0.578 -6.082 Start of MODEL 11 1 H1 CYS 1 H CYS 1 0.351 0.975 -0.233 2 HA CYS 1 HA CYS 1 1.414 0.348 -2.284 3 HB2 CYS 1 2HB CYS 1 2.069 2.597 -1.336 4 HB3 CYS 1 3HB CYS 1 3.523 1.828 -0.707 5 H ARG 2 H ARG 2 3.215 -0.721 -3.419 6 HA ARG 2 HA ARG 2 4.310 -2.768 -1.707 7 HB2 ARG 2 3HB ARG 2 6.512 -2.380 -3.236 8 HB3 ARG 2 2HB ARG 2 5.899 -0.740 -3.280 9 HG2 ARG 2 3HG ARG 2 7.067 -0.515 -1.317 10 HG3 ARG 2 2HG ARG 2 5.638 -1.238 -0.605 11 HD2 ARG 2 3HD ARG 2 7.755 -3.095 -1.691 12 HD3 ARG 2 2HD ARG 2 8.097 -2.259 -0.190 13 HE ARG 2 HE ARG 2 5.521 -3.270 0.168 14 HH11 ARG 2 1HH1 ARG 2 6.250 -6.549 1.114 15 HH12 ARG 2 2HH1 ARG 2 5.062 -5.289 1.135 16 HH21 ARG 2 1HH2 ARG 2 8.308 -6.187 0.105 17 HH22 ARG 2 2HH2 ARG 2 8.656 -4.657 -0.628 18 HA PRO 3 HA PRO 3 3.604 -5.207 -5.254 19 HB2 PRO 3 3HB PRO 3 4.057 -7.171 -4.140 20 HB3 PRO 3 2HB PRO 3 5.515 -7.155 -5.111 21 HG2 PRO 3 3HG PRO 3 5.452 -6.945 -2.318 22 HG3 PRO 3 2HG PRO 3 6.820 -6.512 -3.323 23 HD2 PRO 3 3HD PRO 3 5.092 -4.734 -1.800 24 HD3 PRO 3 2HD PRO 3 6.529 -4.316 -2.711 25 H LEU 4 H LEU 4 4.421 -3.003 -6.274 26 HA LEU 4 HA LEU 4 6.599 -3.828 -8.065 27 HB2 LEU 4 3HB LEU 4 6.268 -1.018 -8.111 28 HB3 LEU 4 2HB LEU 4 6.261 -1.499 -6.425 29 HG LEU 4 HG LEU 4 8.434 -2.029 -8.466 30 HD11 LEU 4 1HD2 LEU 4 9.261 -0.090 -7.783 31 HD12 LEU 4 2HD2 LEU 4 9.419 -0.760 -6.141 32 HD13 LEU 4 3HD2 LEU 4 7.936 0.105 -6.611 33 HD21 LEU 4 1HD1 LEU 4 9.681 -2.975 -6.455 34 HD22 LEU 4 2HD1 LEU 4 8.409 -3.993 -7.172 35 HD23 LEU 4 3HD1 LEU 4 8.091 -3.102 -5.665 36 H TRP 5 H TRP 5 3.327 -2.482 -7.690 37 HA TRP 5 HA TRP 5 1.669 -2.226 -9.134 38 HB2 TRP 5 3HB TRP 5 3.321 -3.921 -11.016 39 HB3 TRP 5 2HB TRP 5 2.251 -4.541 -9.774 40 HD1 TRP 5 HD1 TRP 5 2.186 -3.800 -13.361 41 HE1 TRP 5 HE1 TRP 5 -0.240 -3.628 -14.384 42 HE3 TRP 5 HE3 TRP 5 -0.233 -3.419 -8.905 43 HZ2 TRP 5 HZ2 TRP 5 -2.841 -3.358 -13.240 44 HZ3 TRP 5 HZ3 TRP 5 -2.717 -3.204 -8.947 45 HH2 TRP 5 HH2 TRP 5 -4.016 -3.171 -11.016 46 H THR 6 H THR 6 4.222 -0.500 -9.013 47 HA THR 6 HA THR 6 4.303 0.594 -11.707 48 HB THR 6 HB THR 6 6.122 2.011 -10.626 49 HG1 THR 6 HG1 THR 6 4.933 1.693 -8.472 50 HG21 THR 6 1HG2 THR 6 6.253 -1.014 -10.166 51 HG22 THR 6 2HG2 THR 6 7.648 0.076 -9.982 52 HG23 THR 6 3HG2 THR 6 6.880 -0.126 -11.575 53 H ALA 7 H ALA 7 2.022 0.739 -9.438 54 HA ALA 7 HA ALA 7 0.412 2.179 -8.963 55 HB1 ALA 7 1HB ALA 7 0.641 2.539 -11.510 56 HB2 ALA 7 2HB ALA 7 1.492 4.045 -11.093 57 HB3 ALA 7 3HB ALA 7 -0.194 3.804 -10.577 58 H CYS 8 H CYS 8 1.083 2.685 -6.944 59 HA CYS 8 HA CYS 8 1.619 5.313 -6.268 60 HB2 CYS 8 2HB CYS 8 2.304 4.373 -4.024 61 HB3 CYS 8 3HB CYS 8 0.725 3.854 -4.606 62 H GLY 9 H GLY 9 3.888 2.609 -6.623 63 HA2 GLY 9 2HA GLY 9 6.151 4.357 -6.069 64 HA3 GLY 9 3HA GLY 9 6.218 2.627 -6.367 Start of MODEL 12 1 H1 CYS 1 H CYS 1 2.819 0.379 1.360 2 HA CYS 1 HA CYS 1 1.728 -0.389 -1.219 3 HB2 CYS 1 2HB CYS 1 4.321 1.046 -0.620 4 HB3 CYS 1 3HB CYS 1 3.499 0.952 -2.174 5 H ARG 2 H ARG 2 3.500 -1.224 -2.921 6 HA ARG 2 HA ARG 2 4.644 -3.535 -1.601 7 HB2 ARG 2 3HB ARG 2 6.575 -2.113 -1.876 8 HB3 ARG 2 2HB ARG 2 6.669 -3.300 -3.163 9 HG2 ARG 2 3HG ARG 2 7.010 -1.396 -4.433 10 HG3 ARG 2 2HG ARG 2 5.260 -1.443 -4.508 11 HD2 ARG 2 3HD ARG 2 5.386 0.707 -3.719 12 HD3 ARG 2 2HD ARG 2 5.607 -0.055 -2.157 13 HE ARG 2 HE ARG 2 7.753 1.111 -3.859 14 HH11 ARG 2 1HH1 ARG 2 9.972 1.053 -1.166 15 HH12 ARG 2 2HH1 ARG 2 9.718 1.587 -2.794 16 HH21 ARG 2 1HH2 ARG 2 8.316 -0.145 -0.066 17 HH22 ARG 2 2HH2 ARG 2 6.827 -0.506 -0.874 18 HA PRO 3 HA PRO 3 3.002 -5.568 -5.092 19 HB2 PRO 3 3HB PRO 3 3.222 -7.638 -4.109 20 HB3 PRO 3 2HB PRO 3 4.541 -7.821 -5.248 21 HG2 PRO 3 3HG PRO 3 4.832 -7.755 -2.461 22 HG3 PRO 3 2HG PRO 3 6.133 -7.511 -3.610 23 HD2 PRO 3 3HD PRO 3 4.931 -5.547 -1.829 24 HD3 PRO 3 2HD PRO 3 6.307 -5.334 -2.893 25 H LEU 4 H LEU 4 3.884 -3.561 -6.261 26 HA LEU 4 HA LEU 4 5.659 -4.647 -8.330 27 HB2 LEU 4 3HB LEU 4 6.222 -1.991 -8.367 28 HB3 LEU 4 2HB LEU 4 5.952 -2.237 -6.653 29 HG LEU 4 HG LEU 4 7.974 -3.670 -8.395 30 HD11 LEU 4 1HD2 LEU 4 8.493 -1.316 -7.750 31 HD12 LEU 4 2HD2 LEU 4 9.648 -2.517 -7.124 32 HD13 LEU 4 3HD2 LEU 4 8.420 -1.815 -6.043 33 HD21 LEU 4 1HD1 LEU 4 6.907 -4.315 -5.698 34 HD22 LEU 4 2HD1 LEU 4 8.670 -4.423 -5.916 35 HD23 LEU 4 3HD1 LEU 4 7.585 -5.375 -6.957 36 H TRP 5 H TRP 5 3.091 -2.298 -7.394 37 HA TRP 5 HA TRP 5 1.301 -1.616 -8.521 38 HB2 TRP 5 3HB TRP 5 1.948 -4.045 -9.847 39 HB3 TRP 5 2HB TRP 5 0.394 -3.253 -9.681 40 HD1 TRP 5 HD1 TRP 5 3.336 -3.508 -12.178 41 HE1 TRP 5 HE1 TRP 5 2.597 -2.750 -14.595 42 HE3 TRP 5 HE3 TRP 5 -1.271 -1.839 -10.818 43 HZ2 TRP 5 HZ2 TRP 5 0.222 -1.565 -15.644 44 HZ3 TRP 5 HZ3 TRP 5 -2.737 -0.896 -12.600 45 HH2 TRP 5 HH2 TRP 5 -2.057 -0.744 -14.942 46 H THR 6 H THR 6 4.469 -1.030 -9.086 47 HA THR 6 HA THR 6 4.157 0.550 -11.506 48 HB THR 6 HB THR 6 6.183 -0.929 -10.957 49 HG1 THR 6 HG1 THR 6 7.220 0.615 -12.183 50 HG21 THR 6 1HG2 THR 6 6.230 0.038 -8.478 51 HG22 THR 6 2HG2 THR 6 7.080 1.405 -9.236 52 HG23 THR 6 3HG2 THR 6 7.765 -0.235 -9.337 53 H ALA 7 H ALA 7 4.376 0.954 -7.971 54 HA ALA 7 HA ALA 7 3.135 3.442 -8.054 55 HB1 ALA 7 1HB ALA 7 5.396 4.593 -7.120 56 HB2 ALA 7 2HB ALA 7 4.918 4.652 -8.834 57 HB3 ALA 7 3HB ALA 7 6.112 3.452 -8.283 58 H CYS 8 H CYS 8 1.984 2.611 -6.404 59 HA CYS 8 HA CYS 8 3.417 1.889 -3.935 60 HB2 CYS 8 2HB CYS 8 1.819 4.178 -4.335 61 HB3 CYS 8 3HB CYS 8 0.858 3.076 -3.354 62 H GLY 9 H GLY 9 0.426 1.642 -5.809 63 HA2 GLY 9 2HA GLY 9 -0.077 -0.942 -4.467 64 HA3 GLY 9 3HA GLY 9 -1.378 0.177 -4.846 Start of MODEL 13 1 H1 CYS 1 H CYS 1 1.015 -0.271 -1.509 2 HA CYS 1 HA CYS 1 2.881 1.045 -3.117 3 HB2 CYS 1 2HB CYS 1 3.263 1.652 -0.179 4 HB3 CYS 1 3HB CYS 1 4.306 2.157 -1.505 5 H ARG 2 H ARG 2 3.658 -0.976 -3.769 6 HA ARG 2 HA ARG 2 4.477 -2.729 -1.617 7 HB2 ARG 2 3HB ARG 2 6.490 -1.410 -2.330 8 HB3 ARG 2 2HB ARG 2 6.678 -3.122 -2.653 9 HG2 ARG 2 3HG ARG 2 6.231 -2.837 -5.008 10 HG3 ARG 2 2HG ARG 2 5.614 -1.213 -4.773 11 HD2 ARG 2 3HD ARG 2 8.503 -2.014 -4.179 12 HD3 ARG 2 2HD ARG 2 7.986 -1.333 -5.709 13 HE ARG 2 HE ARG 2 7.016 0.425 -3.733 14 HH11 ARG 2 1HH1 ARG 2 9.839 2.443 -3.361 15 HH12 ARG 2 2HH1 ARG 2 8.130 2.321 -3.109 16 HH21 ARG 2 1HH2 ARG 2 10.998 0.682 -4.332 17 HH22 ARG 2 2HH2 ARG 2 10.154 -0.754 -4.805 18 HA PRO 3 HA PRO 3 2.989 -5.781 -4.353 19 HB2 PRO 3 3HB PRO 3 3.067 -7.420 -2.737 20 HB3 PRO 3 2HB PRO 3 4.433 -7.999 -3.670 21 HG2 PRO 3 3HG PRO 3 4.583 -7.032 -1.044 22 HG3 PRO 3 2HG PRO 3 5.951 -7.209 -2.125 23 HD2 PRO 3 3HD PRO 3 4.747 -4.741 -1.160 24 HD3 PRO 3 2HD PRO 3 6.184 -4.923 -2.147 25 H LEU 4 H LEU 4 4.188 -4.190 -5.952 26 HA LEU 4 HA LEU 4 5.767 -6.031 -7.591 27 HB2 LEU 4 3HB LEU 4 6.480 -3.163 -6.963 28 HB3 LEU 4 2HB LEU 4 7.320 -4.588 -6.385 29 HG LEU 4 HG LEU 4 7.167 -3.577 -9.233 30 HD11 LEU 4 1HD2 LEU 4 9.533 -3.241 -9.051 31 HD12 LEU 4 2HD2 LEU 4 9.573 -4.007 -7.445 32 HD13 LEU 4 3HD2 LEU 4 8.746 -2.446 -7.666 33 HD21 LEU 4 1HD1 LEU 4 8.284 -6.190 -8.191 34 HD22 LEU 4 2HD1 LEU 4 8.674 -5.501 -9.785 35 HD23 LEU 4 3HD1 LEU 4 6.997 -5.953 -9.398 36 H TRP 5 H TRP 5 5.033 -2.555 -8.103 37 HA TRP 5 HA TRP 5 2.714 -3.066 -9.661 38 HB2 TRP 5 3HB TRP 5 5.211 -2.348 -11.204 39 HB3 TRP 5 2HB TRP 5 4.498 -3.949 -11.167 40 HD1 TRP 5 HD1 TRP 5 4.338 -0.820 -13.143 41 HE1 TRP 5 HE1 TRP 5 2.319 -0.751 -14.841 42 HE3 TRP 5 HE3 TRP 5 1.832 -4.766 -11.140 43 HZ2 TRP 5 HZ2 TRP 5 -0.045 -2.318 -15.150 44 HZ3 TRP 5 HZ3 TRP 5 -0.324 -5.431 -12.200 45 HH2 TRP 5 HH2 TRP 5 -1.268 -4.278 -14.137 46 H THR 6 H THR 6 3.679 -1.458 -7.375 47 HA THR 6 HA THR 6 2.863 1.131 -8.390 48 HB THR 6 HB THR 6 5.311 1.214 -8.697 49 HG1 THR 6 HG1 THR 6 4.327 3.114 -7.788 50 HG21 THR 6 1HG2 THR 6 6.873 0.589 -7.077 51 HG22 THR 6 2HG2 THR 6 5.586 -0.570 -6.667 52 HG23 THR 6 3HG2 THR 6 5.761 0.934 -5.731 53 H ALA 7 H ALA 7 1.094 -0.179 -7.079 54 HA ALA 7 HA ALA 7 1.489 0.143 -4.224 55 HB1 ALA 7 1HB ALA 7 0.445 -1.907 -5.066 56 HB2 ALA 7 2HB ALA 7 -0.811 -0.954 -5.892 57 HB3 ALA 7 3HB ALA 7 -0.734 -0.973 -4.114 58 H CYS 8 H CYS 8 1.747 2.534 -5.246 59 HA CYS 8 HA CYS 8 -0.858 3.870 -4.907 60 HB2 CYS 8 2HB CYS 8 0.863 5.767 -4.046 61 HB3 CYS 8 3HB CYS 8 0.077 4.610 -2.976 62 H GLY 9 H GLY 9 2.406 5.023 -5.727 63 HA2 GLY 9 2HA GLY 9 3.146 6.321 -7.472 64 HA3 GLY 9 3HA GLY 9 2.092 5.325 -8.465 Start of MODEL 14 1 H1 CYS 1 H CYS 1 0.072 0.043 -1.344 2 HA CYS 1 HA CYS 1 1.910 0.735 -3.400 3 HB2 CYS 1 2HB CYS 1 1.340 2.395 -1.765 4 HB3 CYS 1 3HB CYS 1 1.851 1.350 -0.443 5 H ARG 2 H ARG 2 3.216 -0.971 -4.142 6 HA ARG 2 HA ARG 2 4.658 -2.376 -2.055 7 HB2 ARG 2 3HB ARG 2 6.636 -2.208 -3.906 8 HB3 ARG 2 2HB ARG 2 5.793 -0.725 -4.310 9 HG2 ARG 2 3HG ARG 2 7.003 0.224 -2.626 10 HG3 ARG 2 2HG ARG 2 5.873 -0.565 -1.544 11 HD2 ARG 2 3HD ARG 2 8.136 -2.274 -2.509 12 HD3 ARG 2 2HD ARG 2 8.587 -0.952 -1.451 13 HE ARG 2 HE ARG 2 7.221 -3.361 -0.663 14 HH11 ARG 2 1HH1 ARG 2 6.218 -2.182 2.465 15 HH12 ARG 2 2HH1 ARG 2 6.445 -3.585 1.475 16 HH21 ARG 2 1HH2 ARG 2 6.701 -0.075 1.620 17 HH22 ARG 2 2HH2 ARG 2 7.289 0.094 -0.001 18 HA PRO 3 HA PRO 3 4.020 -5.816 -4.659 19 HB2 PRO 3 3HB PRO 3 4.876 -7.297 -3.118 20 HB3 PRO 3 2HB PRO 3 6.215 -7.390 -4.244 21 HG2 PRO 3 3HG PRO 3 6.386 -6.380 -1.636 22 HG3 PRO 3 2HG PRO 3 7.569 -6.098 -2.898 23 HD2 PRO 3 3HD PRO 3 5.738 -4.175 -1.706 24 HD3 PRO 3 2HD PRO 3 6.999 -3.871 -2.884 25 H LEU 4 H LEU 4 4.381 -3.929 -6.352 26 HA LEU 4 HA LEU 4 6.288 -5.128 -8.227 27 HB2 LEU 4 3HB LEU 4 6.098 -2.316 -8.675 28 HB3 LEU 4 2HB LEU 4 6.490 -2.576 -6.986 29 HG LEU 4 HG LEU 4 8.452 -2.271 -8.525 30 HD11 LEU 4 1HD2 LEU 4 9.733 -4.253 -7.563 31 HD12 LEU 4 2HD2 LEU 4 8.194 -4.748 -6.817 32 HD13 LEU 4 3HD2 LEU 4 8.918 -3.175 -6.403 33 HD21 LEU 4 1HD1 LEU 4 7.164 -4.039 -10.171 34 HD22 LEU 4 2HD1 LEU 4 8.407 -5.070 -9.421 35 HD23 LEU 4 3HD1 LEU 4 8.882 -3.587 -10.284 36 H TRP 5 H TRP 5 4.182 -2.233 -8.556 37 HA TRP 5 HA TRP 5 1.971 -3.490 -9.647 38 HB2 TRP 5 3HB TRP 5 3.295 -2.384 -12.010 39 HB3 TRP 5 2HB TRP 5 4.102 -3.804 -11.375 40 HD1 TRP 5 HD1 TRP 5 2.654 -6.143 -11.417 41 HE1 TRP 5 HE1 TRP 5 0.598 -6.996 -12.834 42 HE3 TRP 5 HE3 TRP 5 1.203 -1.551 -13.048 43 HZ2 TRP 5 HZ2 TRP 5 -1.360 -5.684 -14.443 44 HZ3 TRP 5 HZ3 TRP 5 -0.791 -1.425 -14.539 45 HH2 TRP 5 HH2 TRP 5 -2.058 -3.394 -15.238 46 H THR 6 H THR 6 4.322 -0.771 -9.733 47 HA THR 6 HA THR 6 2.168 1.061 -9.122 48 HB THR 6 HB THR 6 3.843 1.259 -11.680 49 HG1 THR 6 HG1 THR 6 2.007 0.016 -12.091 50 HG21 THR 6 1HG2 THR 6 1.822 3.146 -11.823 51 HG22 THR 6 2HG2 THR 6 3.506 3.526 -11.390 52 HG23 THR 6 3HG2 THR 6 2.294 3.270 -10.111 53 H ALA 7 H ALA 7 3.769 0.458 -7.206 54 HA ALA 7 HA ALA 7 5.827 2.558 -7.262 55 HB1 ALA 7 1HB ALA 7 5.904 -0.292 -6.269 56 HB2 ALA 7 2HB ALA 7 6.927 0.947 -5.502 57 HB3 ALA 7 3HB ALA 7 7.102 0.598 -7.239 58 H CYS 8 H CYS 8 3.320 3.218 -6.621 59 HA CYS 8 HA CYS 8 2.467 2.848 -3.987 60 HB2 CYS 8 2HB CYS 8 4.790 4.315 -3.990 61 HB3 CYS 8 3HB CYS 8 3.558 5.572 -3.988 62 H GLY 9 H GLY 9 0.389 3.379 -4.047 63 HA2 GLY 9 2HA GLY 9 -1.105 5.405 -4.297 64 HA3 GLY 9 3HA GLY 9 -0.443 5.503 -5.922 Start of MODEL 15 1 H1 CYS 1 H CYS 1 4.751 3.084 -3.139 2 HA CYS 1 HA CYS 1 5.757 1.127 -3.715 3 HB2 CYS 1 2HB CYS 1 6.685 1.684 -0.958 4 HB3 CYS 1 3HB CYS 1 6.943 0.044 -1.544 5 H ARG 2 H ARG 2 5.490 -1.215 -3.750 6 HA ARG 2 HA ARG 2 2.975 -2.018 -3.122 7 HB2 ARG 2 3HB ARG 2 4.333 -3.737 -1.241 8 HB3 ARG 2 2HB ARG 2 4.697 -2.083 -0.793 9 HG2 ARG 2 3HG ARG 2 2.675 -2.115 0.265 10 HG3 ARG 2 2HG ARG 2 1.991 -1.897 -1.334 11 HD2 ARG 2 3HD ARG 2 2.649 -4.712 -0.466 12 HD3 ARG 2 2HD ARG 2 1.250 -3.943 0.256 13 HE ARG 2 HE ARG 2 1.560 -4.732 -2.566 14 HH11 ARG 2 1HH1 ARG 2 -1.701 -3.753 -3.333 15 HH12 ARG 2 2HH1 ARG 2 -0.299 -4.604 -3.890 16 HH21 ARG 2 1HH2 ARG 2 -1.692 -2.743 -1.244 17 HH22 ARG 2 2HH2 ARG 2 -0.283 -2.840 -0.241 18 HA PRO 3 HA PRO 3 5.833 -5.650 -4.247 19 HB2 PRO 3 3HB PRO 3 7.598 -6.058 -2.825 20 HB3 PRO 3 2HB PRO 3 8.547 -5.357 -4.121 21 HG2 PRO 3 3HG PRO 3 8.259 -4.242 -1.565 22 HG3 PRO 3 2HG PRO 3 8.831 -3.375 -2.977 23 HD2 PRO 3 3HD PRO 3 6.313 -3.018 -1.562 24 HD3 PRO 3 2HD PRO 3 6.937 -2.075 -2.901 25 H LEU 4 H LEU 4 4.691 -4.164 -5.987 26 HA LEU 4 HA LEU 4 6.277 -4.523 -8.276 27 HB2 LEU 4 3HB LEU 4 5.999 -1.675 -7.307 28 HB3 LEU 4 2HB LEU 4 7.487 -2.593 -7.429 29 HG LEU 4 HG LEU 4 5.746 -1.601 -9.695 30 HD11 LEU 4 1HD2 LEU 4 7.214 0.075 -8.693 31 HD12 LEU 4 2HD2 LEU 4 7.741 -0.341 -10.342 32 HD13 LEU 4 3HD2 LEU 4 8.617 -0.993 -8.936 33 HD21 LEU 4 1HD1 LEU 4 6.365 -3.541 -10.692 34 HD22 LEU 4 2HD1 LEU 4 7.792 -3.759 -9.651 35 HD23 LEU 4 3HD1 LEU 4 7.847 -2.608 -11.008 36 H TRP 5 H TRP 5 4.291 -1.627 -8.182 37 HA TRP 5 HA TRP 5 1.775 -2.811 -8.425 38 HB2 TRP 5 3HB TRP 5 2.526 -1.939 -11.147 39 HB3 TRP 5 2HB TRP 5 3.222 -3.460 -10.624 40 HD1 TRP 5 HD1 TRP 5 1.163 -5.245 -9.542 41 HE1 TRP 5 HE1 TRP 5 -1.194 -5.855 -10.559 42 HE3 TRP 5 HE3 TRP 5 0.797 -1.135 -12.513 43 HZ2 TRP 5 HZ2 TRP 5 -2.909 -4.578 -12.450 44 HZ3 TRP 5 HZ3 TRP 5 -1.251 -0.893 -13.913 45 HH2 TRP 5 HH2 TRP 5 -3.065 -2.531 -13.914 46 H THR 6 H THR 6 2.873 -0.683 -6.984 47 HA THR 6 HA THR 6 2.520 1.455 -6.490 48 HB THR 6 HB THR 6 0.446 1.484 -8.735 49 HG1 THR 6 HG1 THR 6 -0.673 0.068 -7.426 50 HG21 THR 6 1HG2 THR 6 -0.144 3.449 -7.729 51 HG22 THR 6 2HG2 THR 6 1.118 3.232 -6.493 52 HG23 THR 6 3HG2 THR 6 -0.498 2.526 -6.249 53 H ALA 7 H ALA 7 4.812 1.303 -7.615 54 HA ALA 7 HA ALA 7 4.868 3.614 -9.371 55 HB1 ALA 7 1HB ALA 7 4.897 2.067 -11.106 56 HB2 ALA 7 2HB ALA 7 5.707 0.822 -10.124 57 HB3 ALA 7 3HB ALA 7 6.635 2.207 -10.747 58 H CYS 8 H CYS 8 5.437 3.235 -6.642 59 HA CYS 8 HA CYS 8 7.870 4.505 -6.345 60 HB2 CYS 8 2HB CYS 8 6.442 4.647 -4.501 61 HB3 CYS 8 3HB CYS 8 6.167 2.908 -4.459 62 H GLY 9 H GLY 9 7.177 1.049 -5.798 63 HA2 GLY 9 2HA GLY 9 9.473 0.051 -6.984 64 HA3 GLY 9 3HA GLY 9 9.892 0.360 -5.305 Start of MODEL 16 1 H1 CYS 1 H CYS 1 0.226 0.204 -2.097 2 HA CYS 1 HA CYS 1 1.828 -0.685 -3.719 3 HB2 CYS 1 2HB CYS 1 2.970 0.037 -1.020 4 HB3 CYS 1 3HB CYS 1 3.978 -0.224 -2.440 5 H ARG 2 H ARG 2 3.810 -2.151 -3.995 6 HA ARG 2 HA ARG 2 3.085 -4.719 -3.522 7 HB2 ARG 2 3HB ARG 2 5.411 -4.655 -1.774 8 HB3 ARG 2 2HB ARG 2 4.204 -3.552 -1.145 9 HG2 ARG 2 3HG ARG 2 2.693 -5.801 -1.887 10 HG3 ARG 2 2HG ARG 2 4.169 -6.502 -1.253 11 HD2 ARG 2 3HD ARG 2 3.303 -6.178 0.827 12 HD3 ARG 2 2HD ARG 2 3.591 -4.466 0.594 13 HE ARG 2 HE ARG 2 1.077 -5.407 -0.596 14 HH11 ARG 2 1HH1 ARG 2 -0.860 -3.810 1.828 15 HH12 ARG 2 2HH1 ARG 2 -0.873 -4.614 0.294 16 HH21 ARG 2 1HH2 ARG 2 1.137 -3.539 2.980 17 HH22 ARG 2 2HH2 ARG 2 2.614 -4.140 2.305 18 HA PRO 3 HA PRO 3 7.614 -4.318 -4.925 19 HB2 PRO 3 3HB PRO 3 9.043 -3.202 -3.506 20 HB3 PRO 3 2HB PRO 3 8.916 -1.926 -4.701 21 HG2 PRO 3 3HG PRO 3 8.010 -1.736 -2.056 22 HG3 PRO 3 2HG PRO 3 7.526 -0.669 -3.359 23 HD2 PRO 3 3HD PRO 3 5.903 -2.653 -1.981 24 HD3 PRO 3 2HD PRO 3 5.391 -1.507 -3.203 25 H LEU 4 H LEU 4 7.461 -4.648 -7.044 26 HA LEU 4 HA LEU 4 7.374 -4.094 -9.191 27 HB2 LEU 4 3HB LEU 4 6.963 -1.215 -8.987 28 HB3 LEU 4 2HB LEU 4 8.333 -1.762 -8.041 29 HG LEU 4 HG LEU 4 7.917 -2.280 -10.998 30 HD11 LEU 4 1HD2 LEU 4 8.761 -0.262 -11.350 31 HD12 LEU 4 2HD2 LEU 4 10.251 -0.757 -10.512 32 HD13 LEU 4 3HD2 LEU 4 8.930 0.010 -9.599 33 HD21 LEU 4 1HD1 LEU 4 10.591 -2.722 -10.360 34 HD22 LEU 4 2HD1 LEU 4 9.360 -3.952 -10.735 35 HD23 LEU 4 3HD1 LEU 4 9.685 -3.504 -9.043 36 H TRP 5 H TRP 5 5.235 -1.734 -7.431 37 HA TRP 5 HA TRP 5 3.055 -1.371 -7.549 38 HB2 TRP 5 3HB TRP 5 2.938 -4.247 -8.473 39 HB3 TRP 5 2HB TRP 5 2.877 -3.685 -6.814 40 HD1 TRP 5 HD1 TRP 5 0.552 -4.878 -9.299 41 HE1 TRP 5 HE1 TRP 5 -1.942 -4.080 -8.970 42 HE3 TRP 5 HE3 TRP 5 1.631 -1.107 -6.063 43 HZ2 TRP 5 HZ2 TRP 5 -3.156 -2.009 -7.428 44 HZ3 TRP 5 HZ3 TRP 5 -0.267 0.255 -5.192 45 HH2 TRP 5 HH2 TRP 5 -2.593 -0.145 -5.825 46 H THR 6 H THR 6 4.346 -0.112 -9.493 47 HA THR 6 HA THR 6 2.857 -0.757 -11.955 48 HB THR 6 HB THR 6 4.847 0.321 -13.104 49 HG1 THR 6 HG1 THR 6 6.722 0.427 -11.461 50 HG21 THR 6 1HG2 THR 6 6.570 -1.455 -12.446 51 HG22 THR 6 2HG2 THR 6 4.989 -2.115 -12.927 52 HG23 THR 6 3HG2 THR 6 5.422 -2.009 -11.204 53 H ALA 7 H ALA 7 3.904 1.729 -9.622 54 HA ALA 7 HA ALA 7 1.651 3.309 -10.220 55 HB1 ALA 7 1HB ALA 7 2.415 4.841 -11.696 56 HB2 ALA 7 2HB ALA 7 3.692 3.657 -12.065 57 HB3 ALA 7 3HB ALA 7 3.997 4.956 -10.888 58 H CYS 8 H CYS 8 2.896 2.048 -8.028 59 HA CYS 8 HA CYS 8 2.711 3.957 -6.044 60 HB2 CYS 8 2HB CYS 8 2.560 1.624 -5.491 61 HB3 CYS 8 3HB CYS 8 4.199 1.328 -6.060 62 H GLY 9 H GLY 9 5.524 2.954 -7.896 63 HA2 GLY 9 2HA GLY 9 7.026 5.163 -6.639 64 HA3 GLY 9 3HA GLY 9 7.778 3.604 -6.942 Start of MODEL 17 1 H1 CYS 1 H CYS 1 1.871 -0.279 1.005 2 HA CYS 1 HA CYS 1 1.601 0.161 -1.764 3 HB2 CYS 1 2HB CYS 1 3.436 1.988 -0.269 4 HB3 CYS 1 3HB CYS 1 3.914 1.430 -1.869 5 H ARG 2 H ARG 2 3.560 -0.719 -3.048 6 HA ARG 2 HA ARG 2 4.970 -2.599 -1.331 7 HB2 ARG 2 3HB ARG 2 6.501 -1.039 -2.468 8 HB3 ARG 2 2HB ARG 2 6.723 -2.648 -3.127 9 HG2 ARG 2 3HG ARG 2 6.210 -1.902 -5.204 10 HG3 ARG 2 2HG ARG 2 4.635 -1.367 -4.650 11 HD2 ARG 2 3HD ARG 2 5.608 0.642 -5.423 12 HD3 ARG 2 2HD ARG 2 5.904 0.724 -3.697 13 HE ARG 2 HE ARG 2 7.930 0.026 -5.779 14 HH11 ARG 2 1HH1 ARG 2 10.498 0.815 -3.552 15 HH12 ARG 2 2HH1 ARG 2 10.108 0.368 -5.180 16 HH21 ARG 2 1HH2 ARG 2 8.808 1.067 -1.982 17 HH22 ARG 2 2HH2 ARG 2 7.157 0.807 -2.437 18 HA PRO 3 HA PRO 3 3.201 -5.826 -3.671 19 HB2 PRO 3 3HB PRO 3 4.039 -7.448 -2.267 20 HB3 PRO 3 2HB PRO 3 5.117 -7.775 -3.610 21 HG2 PRO 3 3HG PRO 3 5.930 -6.829 -1.100 22 HG3 PRO 3 2HG PRO 3 6.899 -6.758 -2.559 23 HD2 PRO 3 3HD PRO 3 5.686 -4.543 -1.112 24 HD3 PRO 3 2HD PRO 3 6.750 -4.465 -2.503 25 H LEU 4 H LEU 4 3.608 -4.012 -5.443 26 HA LEU 4 HA LEU 4 4.590 -5.584 -7.670 27 HB2 LEU 4 3HB LEU 4 5.662 -3.022 -8.101 28 HB3 LEU 4 2HB LEU 4 6.112 -3.451 -6.462 29 HG LEU 4 HG LEU 4 6.563 -5.417 -8.693 30 HD11 LEU 4 1HD2 LEU 4 8.890 -4.430 -8.894 31 HD12 LEU 4 2HD2 LEU 4 8.247 -2.984 -8.078 32 HD13 LEU 4 3HD2 LEU 4 7.568 -3.500 -9.640 33 HD21 LEU 4 1HD1 LEU 4 8.693 -5.517 -6.957 34 HD22 LEU 4 2HD1 LEU 4 7.258 -6.569 -6.909 35 HD23 LEU 4 3HD1 LEU 4 7.333 -5.118 -5.881 36 H TRP 5 H TRP 5 4.133 -2.041 -7.599 37 HA TRP 5 HA TRP 5 1.527 -1.663 -7.906 38 HB2 TRP 5 3HB TRP 5 2.537 -3.131 -10.282 39 HB3 TRP 5 2HB TRP 5 0.971 -3.188 -9.497 40 HD1 TRP 5 HD1 TRP 5 -0.839 -1.266 -10.257 41 HE1 TRP 5 HE1 TRP 5 -1.103 0.259 -12.394 42 HE3 TRP 5 HE3 TRP 5 3.914 -1.905 -11.947 43 HZ2 TRP 5 HZ2 TRP 5 0.666 1.011 -14.504 44 HZ3 TRP 5 HZ3 TRP 5 4.565 -0.740 -14.053 45 HH2 TRP 5 HH2 TRP 5 3.028 0.677 -15.320 46 H THR 6 H THR 6 4.818 -1.220 -9.125 47 HA THR 6 HA THR 6 4.650 1.103 -10.544 48 HB THR 6 HB THR 6 6.718 0.093 -8.526 49 HG1 THR 6 HG1 THR 6 6.454 -1.246 -10.378 50 HG21 THR 6 1HG2 THR 6 7.138 2.510 -8.956 51 HG22 THR 6 2HG2 THR 6 6.954 2.236 -10.705 52 HG23 THR 6 3HG2 THR 6 8.327 1.515 -9.830 53 H ALA 7 H ALA 7 4.332 0.663 -7.014 54 HA ALA 7 HA ALA 7 3.159 3.285 -6.865 55 HB1 ALA 7 1HB ALA 7 5.684 3.615 -6.671 56 HB2 ALA 7 2HB ALA 7 5.597 2.689 -5.153 57 HB3 ALA 7 3HB ALA 7 4.714 4.227 -5.309 58 H CYS 8 H CYS 8 1.368 2.042 -6.329 59 HA CYS 8 HA CYS 8 1.485 0.682 -3.717 60 HB2 CYS 8 2HB CYS 8 -0.101 2.958 -4.546 61 HB3 CYS 8 3HB CYS 8 -1.134 1.624 -4.044 62 H GLY 9 H GLY 9 -0.022 0.875 -6.893 63 HA2 GLY 9 2HA GLY 9 -0.845 -0.845 -8.204 64 HA3 GLY 9 3HA GLY 9 -0.452 -1.969 -6.912 Start of MODEL 18 1 H1 CYS 1 H CYS 1 2.587 1.318 0.478 2 HA CYS 1 HA CYS 1 3.029 1.451 -2.145 3 HB2 CYS 1 2HB CYS 1 5.635 0.648 -0.838 4 HB3 CYS 1 3HB CYS 1 5.281 0.439 -2.550 5 H ARG 2 H ARG 2 4.060 -0.961 -3.060 6 HA ARG 2 HA ARG 2 2.071 -2.688 -2.413 7 HB2 ARG 2 3HB ARG 2 4.321 -4.148 -1.242 8 HB3 ARG 2 2HB ARG 2 4.039 -2.670 -0.345 9 HG2 ARG 2 3HG ARG 2 1.564 -3.303 -0.238 10 HG3 ARG 2 2HG ARG 2 1.986 -4.846 -0.953 11 HD2 ARG 2 3HD ARG 2 2.989 -3.743 1.713 12 HD3 ARG 2 2HD ARG 2 1.897 -5.094 1.487 13 HE ARG 2 HE ARG 2 3.720 -6.448 0.732 14 HH11 ARG 2 1HH1 ARG 2 7.116 -5.725 1.087 15 HH12 ARG 2 2HH1 ARG 2 5.946 -6.963 0.767 16 HH21 ARG 2 1HH2 ARG 2 6.421 -3.546 1.480 17 HH22 ARG 2 2HH2 ARG 2 4.733 -3.157 1.453 18 HA PRO 3 HA PRO 3 5.598 -4.778 -4.824 19 HB2 PRO 3 3HB PRO 3 7.645 -4.889 -3.776 20 HB3 PRO 3 2HB PRO 3 8.076 -3.628 -4.913 21 HG2 PRO 3 3HG PRO 3 7.973 -3.305 -2.132 22 HG3 PRO 3 2HG PRO 3 7.980 -1.992 -3.292 23 HD2 PRO 3 3HD PRO 3 5.791 -2.841 -1.572 24 HD3 PRO 3 2HD PRO 3 5.839 -1.459 -2.647 25 H LEU 4 H LEU 4 6.478 -4.661 -7.034 26 HA LEU 4 HA LEU 4 6.630 -3.691 -9.028 27 HB2 LEU 4 3HB LEU 4 5.851 -0.961 -8.347 28 HB3 LEU 4 2HB LEU 4 7.156 -1.560 -7.343 29 HG LEU 4 HG LEU 4 7.151 -1.493 -10.374 30 HD11 LEU 4 1HD2 LEU 4 7.381 0.674 -8.818 31 HD12 LEU 4 2HD2 LEU 4 8.293 0.465 -10.333 32 HD13 LEU 4 3HD2 LEU 4 9.071 0.115 -8.770 33 HD21 LEU 4 1HD1 LEU 4 9.612 -2.011 -10.066 34 HD22 LEU 4 2HD1 LEU 4 8.478 -3.343 -9.736 35 HD23 LEU 4 3HD1 LEU 4 9.218 -2.449 -8.387 36 H TRP 5 H TRP 5 3.972 -2.174 -7.068 37 HA TRP 5 HA TRP 5 1.768 -2.255 -7.345 38 HB2 TRP 5 3HB TRP 5 2.618 -4.590 -8.726 39 HB3 TRP 5 2HB TRP 5 1.084 -4.261 -7.944 40 HD1 TRP 5 HD1 TRP 5 2.724 -4.042 -11.446 41 HE1 TRP 5 HE1 TRP 5 0.893 -3.984 -13.346 42 HE3 TRP 5 HE3 TRP 5 -1.266 -3.680 -8.315 43 HZ2 TRP 5 HZ2 TRP 5 -1.954 -3.797 -13.326 44 HZ3 TRP 5 HZ3 TRP 5 -3.537 -3.565 -9.337 45 HH2 TRP 5 HH2 TRP 5 -3.916 -3.618 -11.751 46 H THR 6 H THR 6 4.051 -0.842 -9.173 47 HA THR 6 HA THR 6 2.267 0.155 -11.263 48 HB THR 6 HB THR 6 5.240 0.689 -10.770 49 HG1 THR 6 HG1 THR 6 5.468 -1.186 -12.139 50 HG21 THR 6 1HG2 THR 6 3.571 1.913 -12.583 51 HG22 THR 6 2HG2 THR 6 4.027 0.456 -13.498 52 HG23 THR 6 3HG2 THR 6 5.286 1.570 -12.914 53 H ALA 7 H ALA 7 1.786 0.764 -8.395 54 HA ALA 7 HA ALA 7 1.156 2.514 -7.197 55 HB1 ALA 7 1HB ALA 7 1.054 3.445 -9.967 56 HB2 ALA 7 2HB ALA 7 1.375 4.778 -8.832 57 HB3 ALA 7 3HB ALA 7 -0.069 3.758 -8.622 58 H CYS 8 H CYS 8 3.330 1.889 -6.296 59 HA CYS 8 HA CYS 8 4.695 4.085 -5.356 60 HB2 CYS 8 2HB CYS 8 4.749 1.573 -4.624 61 HB3 CYS 8 3HB CYS 8 6.141 1.480 -5.698 62 H GLY 9 H GLY 9 5.429 2.095 -8.183 63 HA2 GLY 9 2HA GLY 9 6.764 2.503 -10.006 64 HA3 GLY 9 3HA GLY 9 6.728 4.198 -9.544 Start of MODEL 19 1 H1 CYS 1 H CYS 1 -0.235 -0.536 -0.883 2 HA CYS 1 HA CYS 1 1.171 -0.941 -3.143 3 HB2 CYS 1 2HB CYS 1 2.182 0.591 -0.737 4 HB3 CYS 1 3HB CYS 1 2.767 0.780 -2.387 5 H ARG 2 H ARG 2 3.064 -1.958 -3.868 6 HA ARG 2 HA ARG 2 4.275 -3.643 -1.846 7 HB2 ARG 2 3HB ARG 2 6.366 -2.946 -3.653 8 HB3 ARG 2 2HB ARG 2 5.562 -1.435 -3.280 9 HG2 ARG 2 3HG ARG 2 5.872 -1.771 -0.881 10 HG3 ARG 2 2HG ARG 2 6.434 -3.413 -1.126 11 HD2 ARG 2 3HD ARG 2 8.345 -1.881 -0.724 12 HD3 ARG 2 2HD ARG 2 8.441 -2.581 -2.328 13 HE ARG 2 HE ARG 2 7.067 -0.271 -2.834 14 HH11 ARG 2 1HH1 ARG 2 9.517 2.204 -2.617 15 HH12 ARG 2 2HH1 ARG 2 7.963 1.788 -3.258 16 HH21 ARG 2 1HH2 ARG 2 10.689 0.671 -1.328 17 HH22 ARG 2 2HH2 ARG 2 10.009 -0.890 -1.007 18 HA PRO 3 HA PRO 3 4.223 -6.613 -5.042 19 HB2 PRO 3 3HB PRO 3 5.027 -8.288 -3.682 20 HB3 PRO 3 2HB PRO 3 6.478 -8.105 -4.646 21 HG2 PRO 3 3HG PRO 3 6.301 -7.557 -1.904 22 HG3 PRO 3 2HG PRO 3 7.583 -6.991 -2.957 23 HD2 PRO 3 3HD PRO 3 5.496 -5.415 -1.679 24 HD3 PRO 3 2HD PRO 3 6.845 -4.837 -2.637 25 H LEU 4 H LEU 4 4.594 -4.460 -6.359 26 HA LEU 4 HA LEU 4 6.581 -5.281 -8.309 27 HB2 LEU 4 3HB LEU 4 6.601 -2.583 -6.953 28 HB3 LEU 4 2HB LEU 4 7.828 -3.828 -6.827 29 HG LEU 4 HG LEU 4 7.106 -2.357 -9.377 30 HD11 LEU 4 1HD2 LEU 4 9.105 -1.810 -7.227 31 HD12 LEU 4 2HD2 LEU 4 8.150 -0.687 -8.224 32 HD13 LEU 4 3HD2 LEU 4 9.571 -1.504 -8.918 33 HD21 LEU 4 1HD1 LEU 4 9.534 -4.086 -8.889 34 HD22 LEU 4 2HD1 LEU 4 8.913 -3.444 -10.429 35 HD23 LEU 4 3HD1 LEU 4 8.019 -4.723 -9.573 36 H TRP 5 H TRP 5 5.129 -2.039 -8.094 37 HA TRP 5 HA TRP 5 3.633 -2.659 -10.509 38 HB2 TRP 5 3HB TRP 5 3.302 0.042 -9.707 39 HB3 TRP 5 2HB TRP 5 4.987 -0.366 -9.451 40 HD1 TRP 5 HD1 TRP 5 6.484 -0.168 -11.588 41 HE1 TRP 5 HE1 TRP 5 6.175 0.005 -14.203 42 HE3 TRP 5 HE3 TRP 5 1.453 -0.905 -11.570 43 HZ2 TRP 5 HZ2 TRP 5 3.912 -0.182 -15.932 44 HZ3 TRP 5 HZ3 TRP 5 0.270 -0.896 -13.764 45 HH2 TRP 5 HH2 TRP 5 1.418 -0.550 -15.895 46 H THR 6 H THR 6 3.275 -2.604 -7.093 47 HA THR 6 HA THR 6 1.521 -2.472 -5.706 48 HB THR 6 HB THR 6 -0.122 -4.127 -6.232 49 HG1 THR 6 HG1 THR 6 0.497 -3.733 -9.049 50 HG21 THR 6 1HG2 THR 6 2.263 -5.028 -6.560 51 HG22 THR 6 2HG2 THR 6 2.053 -4.721 -8.300 52 HG23 THR 6 3HG2 THR 6 1.006 -5.897 -7.471 53 H ALA 7 H ALA 7 1.945 -0.023 -6.974 54 HA ALA 7 HA ALA 7 -0.792 0.846 -7.584 55 HB1 ALA 7 1HB ALA 7 0.351 2.822 -8.598 56 HB2 ALA 7 2HB ALA 7 0.828 1.285 -9.359 57 HB3 ALA 7 3HB ALA 7 1.921 2.083 -8.203 58 H CYS 8 H CYS 8 1.263 3.357 -6.880 59 HA CYS 8 HA CYS 8 -0.033 3.834 -4.324 60 HB2 CYS 8 2HB CYS 8 2.442 2.652 -4.286 61 HB3 CYS 8 3HB CYS 8 2.854 4.361 -4.179 62 H GLY 9 H GLY 9 2.271 4.964 -6.765 63 HA2 GLY 9 2HA GLY 9 2.261 7.009 -7.874 64 HA3 GLY 9 3HA GLY 9 0.958 7.542 -6.823 Start of MODEL 20 1 H1 CYS 1 H CYS 1 2.705 2.439 -2.930 2 HA CYS 1 HA CYS 1 4.363 1.325 -4.606 3 HB2 CYS 1 2HB CYS 1 5.828 1.094 -1.970 4 HB3 CYS 1 3HB CYS 1 6.343 0.443 -3.523 5 H ARG 2 H ARG 2 4.836 -1.179 -4.295 6 HA ARG 2 HA ARG 2 2.456 -2.332 -3.653 7 HB2 ARG 2 3HB ARG 2 4.105 -3.508 -1.546 8 HB3 ARG 2 2HB ARG 2 3.963 -1.781 -1.283 9 HG2 ARG 2 3HG ARG 2 1.450 -1.997 -1.549 10 HG3 ARG 2 2HG ARG 2 1.646 -3.734 -1.670 11 HD2 ARG 2 3HD ARG 2 2.381 -1.985 0.725 12 HD3 ARG 2 2HD ARG 2 1.077 -3.153 0.646 13 HE ARG 2 HE ARG 2 2.665 -4.941 0.761 14 HH11 ARG 2 1HH1 ARG 2 6.019 -4.668 1.683 15 HH12 ARG 2 2HH1 ARG 2 4.683 -5.749 1.465 16 HH21 ARG 2 1HH2 ARG 2 5.759 -2.401 1.261 17 HH22 ARG 2 2HH2 ARG 2 4.228 -1.789 0.728 18 HA PRO 3 HA PRO 3 5.929 -5.520 -4.279 19 HB2 PRO 3 3HB PRO 3 7.660 -5.475 -2.762 20 HB3 PRO 3 2HB PRO 3 8.548 -4.763 -4.094 21 HG2 PRO 3 3HG PRO 3 7.949 -3.454 -1.690 22 HG3 PRO 3 2HG PRO 3 8.445 -2.654 -3.168 23 HD2 PRO 3 3HD PRO 3 5.832 -2.580 -1.888 24 HD3 PRO 3 2HD PRO 3 6.363 -1.690 -3.302 25 H LEU 4 H LEU 4 4.647 -4.176 -6.162 26 HA LEU 4 HA LEU 4 6.184 -4.717 -8.410 27 HB2 LEU 4 3HB LEU 4 6.176 -1.821 -7.571 28 HB3 LEU 4 2HB LEU 4 7.564 -2.857 -7.835 29 HG LEU 4 HG LEU 4 5.869 -2.654 -10.211 30 HD11 LEU 4 1HD2 LEU 4 7.309 -0.119 -9.905 31 HD12 LEU 4 2HD2 LEU 4 5.934 -0.301 -8.789 32 HD13 LEU 4 3HD2 LEU 4 5.682 -0.453 -10.545 33 HD21 LEU 4 1HD1 LEU 4 8.119 -3.610 -10.214 34 HD22 LEU 4 2HD1 LEU 4 8.795 -2.044 -9.706 35 HD23 LEU 4 3HD1 LEU 4 8.013 -2.201 -11.297 36 H TRP 5 H TRP 5 4.333 -1.700 -8.382 37 HA TRP 5 HA TRP 5 1.883 -3.132 -9.022 38 HB2 TRP 5 3HB TRP 5 2.424 -1.000 -10.945 39 HB3 TRP 5 2HB TRP 5 3.561 -2.328 -11.067 40 HD1 TRP 5 HD1 TRP 5 2.182 -4.901 -11.209 41 HE1 TRP 5 HE1 TRP 5 0.110 -5.595 -12.688 42 HE3 TRP 5 HE3 TRP 5 0.491 -0.170 -11.991 43 HZ2 TRP 5 HZ2 TRP 5 -1.957 -4.120 -13.990 44 HZ3 TRP 5 HZ3 TRP 5 -1.561 0.115 -13.378 45 HH2 TRP 5 HH2 TRP 5 -2.775 -1.763 -14.362 46 H THR 6 H THR 6 3.222 -1.304 -6.901 47 HA THR 6 HA THR 6 2.541 0.315 -5.536 48 HB THR 6 HB THR 6 0.187 -0.823 -6.530 49 HG1 THR 6 HG1 THR 6 -0.626 0.650 -4.682 50 HG21 THR 6 1HG2 THR 6 -0.267 2.180 -6.434 51 HG22 THR 6 2HG2 THR 6 -1.347 0.910 -7.058 52 HG23 THR 6 3HG2 THR 6 0.092 1.391 -7.989 53 H ALA 7 H ALA 7 3.539 0.694 -8.561 54 HA ALA 7 HA ALA 7 3.182 3.613 -8.464 55 HB1 ALA 7 1HB ALA 7 2.195 3.256 -10.478 56 HB2 ALA 7 2HB ALA 7 2.886 1.624 -10.637 57 HB3 ALA 7 3HB ALA 7 3.862 3.049 -11.065 58 H CYS 8 H CYS 8 5.104 2.083 -7.031 59 HA CYS 8 HA CYS 8 7.594 2.817 -8.429 60 HB2 CYS 8 2HB CYS 8 8.345 3.062 -5.865 61 HB3 CYS 8 3HB CYS 8 7.673 4.400 -6.791 62 H GLY 9 H GLY 9 6.676 1.048 -5.466 63 HA2 GLY 9 2HA GLY 9 6.904 -1.307 -5.191 64 HA3 GLY 9 3HA GLY 9 8.040 -1.324 -6.531 Start of MODEL 21 1 H1 CYS 1 H CYS 1 -0.612 -1.359 -0.875 2 HA CYS 1 HA CYS 1 0.341 -1.589 -2.939 3 HB2 CYS 1 2HB CYS 1 1.260 0.917 -2.117 4 HB3 CYS 1 3HB CYS 1 2.712 0.052 -2.608 5 H ARG 2 H ARG 2 2.806 -2.065 -3.919 6 HA ARG 2 HA ARG 2 3.771 -4.046 -2.035 7 HB2 ARG 2 3HB ARG 2 5.330 -2.108 -1.930 8 HB3 ARG 2 2HB ARG 2 6.124 -3.508 -2.623 9 HG2 ARG 2 3HG ARG 2 6.600 -2.324 -4.494 10 HG3 ARG 2 2HG ARG 2 4.888 -2.106 -4.800 11 HD2 ARG 2 3HD ARG 2 6.098 0.080 -4.625 12 HD3 ARG 2 2HD ARG 2 4.839 -0.072 -3.415 13 HE ARG 2 HE ARG 2 6.482 0.011 -1.760 14 HH11 ARG 2 1HH1 ARG 2 9.946 -0.376 -1.925 15 HH12 ARG 2 2HH1 ARG 2 8.603 0.038 -0.912 16 HH21 ARG 2 1HH2 ARG 2 9.590 -0.958 -4.143 17 HH22 ARG 2 2HH2 ARG 2 7.981 -0.978 -4.786 18 HA PRO 3 HA PRO 3 3.869 -6.559 -5.598 19 HB2 PRO 3 3HB PRO 3 4.219 -8.473 -4.367 20 HB3 PRO 3 2HB PRO 3 5.836 -8.371 -5.036 21 HG2 PRO 3 3HG PRO 3 5.212 -8.131 -2.314 22 HG3 PRO 3 2HG PRO 3 6.721 -7.619 -3.044 23 HD2 PRO 3 3HD PRO 3 4.617 -5.943 -1.933 24 HD3 PRO 3 2HD PRO 3 6.175 -5.440 -2.558 25 H LEU 4 H LEU 4 4.723 -4.322 -6.501 26 HA LEU 4 HA LEU 4 7.125 -5.115 -7.984 27 HB2 LEU 4 3HB LEU 4 6.541 -2.418 -6.756 28 HB3 LEU 4 2HB LEU 4 7.777 -3.552 -6.248 29 HG LEU 4 HG LEU 4 7.677 -2.011 -8.853 30 HD11 LEU 4 1HD2 LEU 4 9.654 -1.902 -6.558 31 HD12 LEU 4 2HD2 LEU 4 8.363 -0.717 -6.873 32 HD13 LEU 4 3HD2 LEU 4 9.689 -0.921 -8.043 33 HD21 LEU 4 1HD1 LEU 4 9.963 -3.046 -9.231 34 HD22 LEU 4 2HD1 LEU 4 8.559 -4.116 -9.460 35 HD23 LEU 4 3HD1 LEU 4 9.530 -4.229 -7.973 36 H TRP 5 H TRP 5 5.118 -2.128 -8.116 37 HA TRP 5 HA TRP 5 4.348 -2.954 -10.831 38 HB2 TRP 5 3HB TRP 5 5.477 -1.085 -11.332 39 HB3 TRP 5 2HB TRP 5 3.962 -0.317 -10.901 40 HD1 TRP 5 HD1 TRP 5 4.000 0.189 -7.925 41 HE1 TRP 5 HE1 TRP 5 5.830 1.535 -6.582 42 HE3 TRP 5 HE3 TRP 5 7.692 -0.363 -11.377 43 HZ2 TRP 5 HZ2 TRP 5 8.555 2.203 -7.103 44 HZ3 TRP 5 HZ3 TRP 5 9.908 0.667 -10.882 45 HH2 TRP 5 HH2 TRP 5 10.369 1.914 -8.831 46 H THR 6 H THR 6 3.352 -2.398 -7.580 47 HA THR 6 HA THR 6 1.374 -2.042 -6.594 48 HB THR 6 HB THR 6 -0.214 -3.733 -7.194 49 HG1 THR 6 HG1 THR 6 -0.752 -3.298 -9.329 50 HG21 THR 6 1HG2 THR 6 2.444 -4.465 -7.183 51 HG22 THR 6 2HG2 THR 6 1.969 -4.973 -8.821 52 HG23 THR 6 3HG2 THR 6 1.109 -5.622 -7.404 53 H ALA 7 H ALA 7 2.101 0.205 -8.024 54 HA ALA 7 HA ALA 7 -0.539 1.092 -8.947 55 HB1 ALA 7 1HB ALA 7 2.009 2.154 -10.164 56 HB2 ALA 7 2HB ALA 7 0.360 2.138 -10.833 57 HB3 ALA 7 3HB ALA 7 1.306 0.632 -10.762 58 H CYS 8 H CYS 8 -0.539 1.612 -6.614 59 HA CYS 8 HA CYS 8 -0.513 3.143 -4.932 60 HB2 CYS 8 2HB CYS 8 2.164 4.144 -5.825 61 HB3 CYS 8 3HB CYS 8 1.560 3.882 -4.192 62 H GLY 9 H GLY 9 -1.974 4.703 -5.251 63 HA2 GLY 9 2HA GLY 9 -1.237 7.288 -6.044 64 HA3 GLY 9 3HA GLY 9 -1.994 6.498 -7.419 Start of MODEL 22 1 H1 CYS 1 H CYS 1 3.052 2.766 -3.270 2 HA CYS 1 HA CYS 1 4.897 1.488 -3.955 3 HB2 CYS 1 2HB CYS 1 5.861 2.502 -1.460 4 HB3 CYS 1 3HB CYS 1 6.144 0.764 -1.507 5 H ARG 2 H ARG 2 5.255 -0.874 -3.934 6 HA ARG 2 HA ARG 2 2.990 -2.248 -3.363 7 HB2 ARG 2 3HB ARG 2 4.764 -3.469 -1.375 8 HB3 ARG 2 2HB ARG 2 4.455 -1.796 -0.958 9 HG2 ARG 2 3HG ARG 2 2.736 -3.241 0.055 10 HG3 ARG 2 2HG ARG 2 2.000 -2.187 -1.136 11 HD2 ARG 2 3HD ARG 2 1.227 -4.599 -1.279 12 HD3 ARG 2 2HD ARG 2 1.880 -3.974 -2.780 13 HE ARG 2 HE ARG 2 3.702 -5.448 -2.594 14 HH11 ARG 2 1HH1 ARG 2 4.492 -7.717 -0.063 15 HH12 ARG 2 2HH1 ARG 2 4.852 -7.196 -1.675 16 HH21 ARG 2 1HH2 ARG 2 2.842 -6.641 1.163 17 HH22 ARG 2 2HH2 ARG 2 1.970 -5.316 0.466 18 HA PRO 3 HA PRO 3 6.680 -5.102 -4.297 19 HB2 PRO 3 3HB PRO 3 8.440 -5.039 -2.814 20 HB3 PRO 3 2HB PRO 3 9.236 -4.155 -4.100 21 HG2 PRO 3 3HG PRO 3 8.597 -3.092 -1.587 22 HG3 PRO 3 2HG PRO 3 8.991 -2.141 -3.005 23 HD2 PRO 3 3HD PRO 3 6.413 -2.378 -1.675 24 HD3 PRO 3 2HD PRO 3 6.837 -1.339 -3.021 25 H LEU 4 H LEU 4 5.289 -4.060 -6.134 26 HA LEU 4 HA LEU 4 7.014 -4.016 -8.345 27 HB2 LEU 4 3HB LEU 4 5.925 -1.334 -7.485 28 HB3 LEU 4 2HB LEU 4 7.611 -1.809 -7.532 29 HG LEU 4 HG LEU 4 5.842 -1.695 -9.987 30 HD11 LEU 4 1HD2 LEU 4 6.994 0.470 -8.459 31 HD12 LEU 4 2HD2 LEU 4 5.936 0.520 -9.890 32 HD13 LEU 4 3HD2 LEU 4 7.701 0.403 -10.091 33 HD21 LEU 4 1HD1 LEU 4 7.892 -3.162 -10.029 34 HD22 LEU 4 2HD1 LEU 4 8.862 -1.684 -9.818 35 HD23 LEU 4 3HD1 LEU 4 7.838 -1.878 -11.261 36 H TRP 5 H TRP 5 4.271 -1.797 -8.350 37 HA TRP 5 HA TRP 5 2.395 -3.893 -9.001 38 HB2 TRP 5 3HB TRP 5 3.073 -1.819 -11.090 39 HB3 TRP 5 2HB TRP 5 3.679 -3.463 -11.115 40 HD1 TRP 5 HD1 TRP 5 0.855 -1.495 -12.431 41 HE1 TRP 5 HE1 TRP 5 -1.129 -2.968 -13.357 42 HE3 TRP 5 HE3 TRP 5 2.404 -5.850 -10.313 43 HZ2 TRP 5 HZ2 TRP 5 -1.813 -5.727 -13.105 44 HZ3 TRP 5 HZ3 TRP 5 1.020 -7.887 -10.702 45 HH2 TRP 5 HH2 TRP 5 -1.023 -7.873 -12.043 46 H THR 6 H THR 6 2.748 -1.962 -6.844 47 HA THR 6 HA THR 6 1.559 -0.485 -5.684 48 HB THR 6 HB THR 6 -0.645 -0.914 -7.763 49 HG1 THR 6 HG1 THR 6 0.385 -2.411 -5.463 50 HG21 THR 6 1HG2 THR 6 -2.019 0.052 -6.213 51 HG22 THR 6 2HG2 THR 6 -0.562 0.552 -5.321 52 HG23 THR 6 3HG2 THR 6 -1.362 -0.988 -4.927 53 H ALA 7 H ALA 7 3.456 0.749 -6.963 54 HA ALA 7 HA ALA 7 2.108 3.059 -8.185 55 HB1 ALA 7 1HB ALA 7 4.802 1.819 -8.878 56 HB2 ALA 7 2HB ALA 7 4.169 3.339 -9.554 57 HB3 ALA 7 3HB ALA 7 3.337 1.802 -9.889 58 H CYS 8 H CYS 8 5.382 3.449 -7.963 59 HA CYS 8 HA CYS 8 5.154 4.865 -5.390 60 HB2 CYS 8 2HB CYS 8 6.740 2.657 -5.824 61 HB3 CYS 8 3HB CYS 8 7.860 3.988 -6.099 62 H GLY 9 H GLY 9 6.656 4.717 -8.577 63 HA2 GLY 9 2HA GLY 9 6.789 7.614 -8.641 64 HA3 GLY 9 3HA GLY 9 8.347 6.803 -8.686 Start of MODEL 23 1 H1 CYS 1 H CYS 1 4.986 0.554 0.513 2 HA CYS 1 HA CYS 1 3.836 0.810 -2.132 3 HB2 CYS 1 2HB CYS 1 6.410 0.621 -1.226 4 HB3 CYS 1 3HB CYS 1 6.111 -1.023 -1.781 5 H ARG 2 H ARG 2 4.391 -1.588 -3.424 6 HA ARG 2 HA ARG 2 2.170 -3.040 -2.858 7 HB2 ARG 2 3HB ARG 2 4.345 -4.886 -2.013 8 HB3 ARG 2 2HB ARG 2 4.049 -3.589 -0.871 9 HG2 ARG 2 3HG ARG 2 1.643 -5.018 -1.982 10 HG3 ARG 2 2HG ARG 2 2.636 -5.896 -0.836 11 HD2 ARG 2 3HD ARG 2 1.346 -3.164 -0.369 12 HD3 ARG 2 2HD ARG 2 0.839 -4.679 0.350 13 HE ARG 2 HE ARG 2 3.568 -4.395 1.004 14 HH11 ARG 2 1HH1 ARG 2 3.227 -2.506 3.919 15 HH12 ARG 2 2HH1 ARG 2 4.273 -3.539 3.002 16 HH21 ARG 2 1HH2 ARG 2 1.110 -1.992 3.117 17 HH22 ARG 2 2HH2 ARG 2 0.576 -2.641 1.602 18 HA PRO 3 HA PRO 3 5.172 -5.302 -5.777 19 HB2 PRO 3 3HB PRO 3 7.242 -5.839 -4.924 20 HB3 PRO 3 2HB PRO 3 7.784 -4.515 -5.936 21 HG2 PRO 3 3HG PRO 3 7.912 -4.544 -3.137 22 HG3 PRO 3 2HG PRO 3 8.042 -3.106 -4.130 23 HD2 PRO 3 3HD PRO 3 5.867 -3.852 -2.345 24 HD3 PRO 3 2HD PRO 3 6.053 -2.362 -3.249 25 H LEU 4 H LEU 4 5.395 -5.074 -8.011 26 HA LEU 4 HA LEU 4 5.495 -3.945 -9.924 27 HB2 LEU 4 3HB LEU 4 5.855 -1.231 -8.900 28 HB3 LEU 4 2HB LEU 4 7.048 -2.356 -8.283 29 HG LEU 4 HG LEU 4 6.445 -1.952 -11.225 30 HD11 LEU 4 1HD2 LEU 4 7.353 0.097 -10.274 31 HD12 LEU 4 2HD2 LEU 4 8.554 -0.697 -11.321 32 HD13 LEU 4 3HD2 LEU 4 8.701 -0.814 -9.551 33 HD21 LEU 4 1HD1 LEU 4 8.993 -3.001 -10.965 34 HD22 LEU 4 2HD1 LEU 4 7.527 -3.887 -11.447 35 HD23 LEU 4 3HD1 LEU 4 8.049 -3.889 -9.746 36 H TRP 5 H TRP 5 3.920 -2.016 -7.285 37 HA TRP 5 HA TRP 5 1.991 -0.892 -7.277 38 HB2 TRP 5 3HB TRP 5 1.267 -3.171 -6.849 39 HB3 TRP 5 2HB TRP 5 0.037 -2.245 -7.686 40 HD1 TRP 5 HD1 TRP 5 -0.568 -3.033 -10.220 41 HE1 TRP 5 HE1 TRP 5 -0.160 -5.225 -11.632 42 HE3 TRP 5 HE3 TRP 5 3.007 -4.965 -7.164 43 HZ2 TRP 5 HZ2 TRP 5 1.574 -7.470 -11.319 44 HZ3 TRP 5 HZ3 TRP 5 4.007 -7.162 -7.789 45 HH2 TRP 5 HH2 TRP 5 3.345 -8.406 -9.786 46 H THR 6 H THR 6 3.679 -0.067 -9.392 47 HA THR 6 HA THR 6 1.711 0.414 -11.533 48 HB THR 6 HB THR 6 3.689 -1.096 -12.123 49 HG1 THR 6 HG1 THR 6 3.964 0.181 -14.069 50 HG21 THR 6 1HG2 THR 6 5.353 1.425 -12.210 51 HG22 THR 6 2HG2 THR 6 5.886 -0.273 -12.151 52 HG23 THR 6 3HG2 THR 6 5.287 0.523 -10.676 53 H ALA 7 H ALA 7 4.231 1.720 -9.373 54 HA ALA 7 HA ALA 7 3.031 4.317 -9.654 55 HB1 ALA 7 1HB ALA 7 5.963 3.967 -10.379 56 HB2 ALA 7 2HB ALA 7 4.995 5.459 -10.452 57 HB3 ALA 7 3HB ALA 7 4.663 4.126 -11.584 58 H CYS 8 H CYS 8 2.712 3.159 -7.493 59 HA CYS 8 HA CYS 8 3.145 2.952 -5.263 60 HB2 CYS 8 2HB CYS 8 5.266 1.842 -6.052 61 HB3 CYS 8 3HB CYS 8 6.056 3.411 -5.929 62 H GLY 9 H GLY 9 5.495 5.350 -6.487 63 HA2 GLY 9 2HA GLY 9 5.614 7.626 -6.104 64 HA3 GLY 9 3HA GLY 9 4.052 7.532 -5.303 Start of MODEL 24 1 H1 CYS 1 H CYS 1 3.428 1.406 -5.265 2 HA CYS 1 HA CYS 1 5.696 1.374 -3.676 3 HB2 CYS 1 2HB CYS 1 2.866 2.205 -3.021 4 HB3 CYS 1 3HB CYS 1 4.228 2.487 -1.942 5 H ARG 2 H ARG 2 5.102 -1.383 -4.047 6 HA ARG 2 HA ARG 2 3.652 -2.528 -2.057 7 HB2 ARG 2 3HB ARG 2 6.258 -3.092 -0.938 8 HB3 ARG 2 2HB ARG 2 6.085 -1.350 -1.023 9 HG2 ARG 2 3HG ARG 2 5.089 -1.773 1.047 10 HG3 ARG 2 2HG ARG 2 3.681 -1.805 0.005 11 HD2 ARG 2 3HD ARG 2 5.071 -4.428 0.233 12 HD3 ARG 2 2HD ARG 2 4.411 -3.840 1.745 13 HE ARG 2 HE ARG 2 2.345 -3.433 -0.072 14 HH11 ARG 2 1HH1 ARG 2 0.957 -6.631 -0.227 15 HH12 ARG 2 2HH1 ARG 2 0.684 -4.943 -0.501 16 HH21 ARG 2 1HH2 ARG 2 3.010 -7.360 0.574 17 HH22 ARG 2 2HH2 ARG 2 4.269 -6.216 0.899 18 HA PRO 3 HA PRO 3 6.888 -5.485 -3.904 19 HB2 PRO 3 3HB PRO 3 9.100 -4.929 -3.585 20 HB3 PRO 3 2HB PRO 3 9.031 -4.496 -5.282 21 HG2 PRO 3 3HG PRO 3 9.482 -2.690 -3.187 22 HG3 PRO 3 2HG PRO 3 8.993 -2.240 -4.809 23 HD2 PRO 3 3HD PRO 3 7.430 -2.066 -2.360 24 HD3 PRO 3 2HD PRO 3 6.985 -1.510 -3.962 25 H LEU 4 H LEU 4 4.705 -3.934 -5.081 26 HA LEU 4 HA LEU 4 4.653 -5.282 -7.536 27 HB2 LEU 4 3HB LEU 4 5.023 -2.308 -7.854 28 HB3 LEU 4 2HB LEU 4 6.353 -3.442 -7.985 29 HG LEU 4 HG LEU 4 3.864 -3.562 -9.707 30 HD11 LEU 4 1HD2 LEU 4 5.699 -2.753 -11.452 31 HD12 LEU 4 2HD2 LEU 4 6.383 -1.993 -9.995 32 HD13 LEU 4 3HD2 LEU 4 4.721 -1.608 -10.503 33 HD21 LEU 4 1HD1 LEU 4 6.558 -4.905 -10.055 34 HD22 LEU 4 2HD1 LEU 4 5.131 -5.076 -11.105 35 HD23 LEU 4 3HD1 LEU 4 5.087 -5.693 -9.436 36 H TRP 5 H TRP 5 3.210 -2.362 -8.231 37 HA TRP 5 HA TRP 5 0.798 -3.046 -6.697 38 HB2 TRP 5 3HB TRP 5 -0.048 -3.771 -8.629 39 HB3 TRP 5 2HB TRP 5 -0.267 -2.065 -8.962 40 HD1 TRP 5 HD1 TRP 5 2.032 -0.948 -10.376 41 HE1 TRP 5 HE1 TRP 5 3.338 -1.921 -12.452 42 HE3 TRP 5 HE3 TRP 5 0.553 -5.768 -9.713 43 HZ2 TRP 5 HZ2 TRP 5 3.601 -4.538 -13.559 44 HZ3 TRP 5 HZ3 TRP 5 1.379 -7.470 -11.336 45 HH2 TRP 5 HH2 TRP 5 2.853 -6.921 -13.207 46 H THR 6 H THR 6 2.670 -0.622 -8.630 47 HA THR 6 HA THR 6 2.086 1.391 -6.658 48 HB THR 6 HB THR 6 0.899 1.452 -9.473 49 HG1 THR 6 HG1 THR 6 -0.544 0.671 -7.897 50 HG21 THR 6 1HG2 THR 6 1.743 3.692 -9.243 51 HG22 THR 6 2HG2 THR 6 1.444 3.704 -7.488 52 HG23 THR 6 3HG2 THR 6 0.076 3.780 -8.625 53 H ALA 7 H ALA 7 2.822 1.975 -10.102 54 HA ALA 7 HA ALA 7 4.582 2.985 -11.012 55 HB1 ALA 7 1HB ALA 7 6.812 1.717 -10.013 56 HB2 ALA 7 2HB ALA 7 5.764 1.069 -11.298 57 HB3 ALA 7 3HB ALA 7 5.524 0.556 -9.611 58 H CYS 8 H CYS 8 3.551 4.068 -8.505 59 HA CYS 8 HA CYS 8 5.067 6.257 -8.088 60 HB2 CYS 8 2HB CYS 8 4.069 6.443 -5.842 61 HB3 CYS 8 3HB CYS 8 2.880 5.955 -7.045 62 H GLY 9 H GLY 9 5.555 3.109 -6.560 63 HA2 GLY 9 2HA GLY 9 7.653 3.972 -4.831 64 HA3 GLY 9 3HA GLY 9 7.257 2.307 -5.232 Start of MODEL 25 1 H1 CYS 1 H CYS 1 -0.953 0.447 -3.447 2 HA CYS 1 HA CYS 1 1.326 0.577 -3.926 3 HB2 CYS 1 2HB CYS 1 1.152 1.102 -0.951 4 HB3 CYS 1 3HB CYS 1 2.469 1.617 -2.000 5 H ARG 2 H ARG 2 3.088 -0.750 -4.265 6 HA ARG 2 HA ARG 2 3.626 -2.660 -2.152 7 HB2 ARG 2 3HB ARG 2 5.662 -2.824 -4.134 8 HB3 ARG 2 2HB ARG 2 5.275 -1.119 -4.028 9 HG2 ARG 2 3HG ARG 2 5.561 -1.229 -1.529 10 HG3 ARG 2 2HG ARG 2 5.998 -2.921 -1.668 11 HD2 ARG 2 3HD ARG 2 8.150 -2.213 -1.911 12 HD3 ARG 2 2HD ARG 2 7.699 -1.704 -3.526 13 HE ARG 2 HE ARG 2 7.078 0.249 -1.408 14 HH11 ARG 2 1HH1 ARG 2 9.517 2.465 -2.557 15 HH12 ARG 2 2HH1 ARG 2 8.159 2.261 -1.502 16 HH21 ARG 2 1HH2 ARG 2 10.240 0.696 -3.874 17 HH22 ARG 2 2HH2 ARG 2 9.421 -0.828 -3.802 18 HA PRO 3 HA PRO 3 2.629 -6.016 -4.759 19 HB2 PRO 3 3HB PRO 3 3.221 -7.598 -3.194 20 HB3 PRO 3 2HB PRO 3 4.556 -7.897 -4.289 21 HG2 PRO 3 3HG PRO 3 4.818 -6.905 -1.680 22 HG3 PRO 3 2HG PRO 3 6.057 -6.811 -2.916 23 HD2 PRO 3 3HD PRO 3 4.507 -4.629 -1.773 24 HD3 PRO 3 2HD PRO 3 5.825 -4.525 -2.923 25 H LEU 4 H LEU 4 3.041 -4.453 -6.589 26 HA LEU 4 HA LEU 4 4.438 -5.922 -8.554 27 HB2 LEU 4 3HB LEU 4 5.754 -3.400 -7.541 28 HB3 LEU 4 2HB LEU 4 6.392 -5.029 -7.434 29 HG LEU 4 HG LEU 4 5.946 -3.438 -9.974 30 HD11 LEU 4 1HD2 LEU 4 8.646 -4.397 -9.347 31 HD12 LEU 4 2HD2 LEU 4 8.006 -3.225 -8.170 32 HD13 LEU 4 3HD2 LEU 4 8.087 -2.799 -9.897 33 HD21 LEU 4 1HD1 LEU 4 7.157 -6.200 -9.696 34 HD22 LEU 4 2HD1 LEU 4 6.904 -5.276 -11.196 35 HD23 LEU 4 3HD1 LEU 4 5.505 -5.866 -10.268 36 H TRP 5 H TRP 5 4.444 -2.363 -8.520 37 HA TRP 5 HA TRP 5 2.040 -2.445 -10.214 38 HB2 TRP 5 3HB TRP 5 3.350 -0.270 -11.136 39 HB3 TRP 5 2HB TRP 5 4.717 -1.282 -10.713 40 HD1 TRP 5 HD1 TRP 5 1.388 -1.859 -12.709 41 HE1 TRP 5 HE1 TRP 5 1.851 -3.322 -14.856 42 HE3 TRP 5 HE3 TRP 5 6.359 -2.495 -11.846 43 HZ2 TRP 5 HZ2 TRP 5 4.192 -4.554 -15.928 44 HZ3 TRP 5 HZ3 TRP 5 7.660 -3.842 -13.492 45 HH2 TRP 5 HH2 TRP 5 6.654 -4.854 -15.476 46 H THR 6 H THR 6 2.767 -1.958 -7.206 47 HA THR 6 HA THR 6 1.761 -0.719 -5.626 48 HB THR 6 HB THR 6 0.792 1.273 -7.711 49 HG1 THR 6 HG1 THR 6 -0.026 -1.461 -7.045 50 HG21 THR 6 1HG2 THR 6 -0.578 -0.033 -5.304 51 HG22 THR 6 2HG2 THR 6 -1.204 1.314 -6.285 52 HG23 THR 6 3HG2 THR 6 0.217 1.558 -5.242 53 H ALA 7 H ALA 7 3.472 1.038 -8.251 54 HA ALA 7 HA ALA 7 4.926 2.716 -8.179 55 HB1 ALA 7 1HB ALA 7 6.528 1.226 -7.401 56 HB2 ALA 7 2HB ALA 7 5.668 0.933 -5.871 57 HB3 ALA 7 3HB ALA 7 6.563 2.452 -6.111 58 H CYS 8 H CYS 8 2.308 3.025 -6.826 59 HA CYS 8 HA CYS 8 2.360 5.628 -6.058 60 HB2 CYS 8 2HB CYS 8 0.174 5.319 -5.638 61 HB3 CYS 8 3HB CYS 8 0.445 3.641 -6.095 62 H GLY 9 H GLY 9 3.278 2.861 -4.134 63 HA2 GLY 9 2HA GLY 9 4.309 4.695 -2.092 64 HA3 GLY 9 3HA GLY 9 3.221 3.415 -1.577 Start of MODEL 26 1 H1 CYS 1 H CYS 1 3.287 -3.180 1.540 2 HA CYS 1 HA CYS 1 2.093 -2.050 -0.357 3 HB2 CYS 1 2HB CYS 1 4.589 -1.487 0.653 4 HB3 CYS 1 3HB CYS 1 4.898 -1.590 -1.077 5 H ARG 2 H ARG 2 3.273 -1.362 -2.795 6 HA ARG 2 HA ARG 2 3.385 -1.998 -4.856 7 HB2 ARG 2 3HB ARG 2 2.200 -4.061 -5.604 8 HB3 ARG 2 2HB ARG 2 2.151 -4.651 -3.955 9 HG2 ARG 2 3HG ARG 2 0.000 -3.676 -4.318 10 HG3 ARG 2 2HG ARG 2 0.866 -2.501 -3.347 11 HD2 ARG 2 3HD ARG 2 1.551 -1.744 -5.949 12 HD3 ARG 2 2HD ARG 2 -0.106 -2.283 -6.140 13 HE ARG 2 HE ARG 2 0.806 0.067 -4.648 14 HH11 ARG 2 1HH1 ARG 2 -2.423 0.901 -3.621 15 HH12 ARG 2 2HH1 ARG 2 -0.783 1.443 -3.753 16 HH21 ARG 2 1HH2 ARG 2 -3.005 -1.223 -4.354 17 HH22 ARG 2 2HH2 ARG 2 -1.800 -2.266 -5.032 18 HA PRO 3 HA PRO 3 7.045 -4.596 -3.868 19 HB2 PRO 3 3HB PRO 3 8.312 -3.132 -2.622 20 HB3 PRO 3 2HB PRO 3 8.999 -2.711 -4.178 21 HG2 PRO 3 3HG PRO 3 7.509 -0.971 -2.565 22 HG3 PRO 3 2HG PRO 3 7.834 -0.724 -4.269 23 HD2 PRO 3 3HD PRO 3 5.285 -1.350 -3.011 24 HD3 PRO 3 2HD PRO 3 5.591 -0.989 -4.698 25 H LEU 4 H LEU 4 5.534 -3.409 -6.369 26 HA LEU 4 HA LEU 4 6.881 -4.991 -8.205 27 HB2 LEU 4 3HB LEU 4 7.430 -2.263 -9.121 28 HB3 LEU 4 2HB LEU 4 8.357 -2.723 -7.706 29 HG LEU 4 HG LEU 4 8.265 -4.297 -10.295 30 HD11 LEU 4 1HD2 LEU 4 10.823 -3.374 -10.067 31 HD12 LEU 4 2HD2 LEU 4 9.889 -1.993 -9.443 32 HD13 LEU 4 3HD2 LEU 4 9.552 -2.633 -11.070 33 HD21 LEU 4 1HD1 LEU 4 10.182 -5.521 -9.361 34 HD22 LEU 4 2HD1 LEU 4 8.713 -5.718 -8.375 35 HD23 LEU 4 3HD1 LEU 4 10.007 -4.620 -7.836 36 H TRP 5 H TRP 5 4.733 -2.344 -7.308 37 HA TRP 5 HA TRP 5 2.618 -2.010 -7.962 38 HB2 TRP 5 3HB TRP 5 2.914 -3.862 -10.309 39 HB3 TRP 5 2HB TRP 5 2.731 -4.495 -8.685 40 HD1 TRP 5 HD1 TRP 5 0.756 -2.289 -11.209 41 HE1 TRP 5 HE1 TRP 5 -1.837 -2.422 -10.738 42 HE3 TRP 5 HE3 TRP 5 1.138 -5.072 -6.971 43 HZ2 TRP 5 HZ2 TRP 5 -3.402 -3.648 -8.691 44 HZ3 TRP 5 HZ3 TRP 5 -0.971 -5.694 -5.796 45 HH2 TRP 5 HH2 TRP 5 -3.184 -5.029 -6.591 46 H THR 6 H THR 6 5.400 -1.017 -9.097 47 HA THR 6 HA THR 6 4.266 0.396 -11.422 48 HB THR 6 HB THR 6 6.247 -1.247 -11.739 49 HG1 THR 6 HG1 THR 6 5.571 0.805 -12.994 50 HG21 THR 6 1HG2 THR 6 8.022 1.010 -10.868 51 HG22 THR 6 2HG2 THR 6 8.341 -0.742 -10.871 52 HG23 THR 6 3HG2 THR 6 7.375 -0.015 -9.564 53 H ALA 7 H ALA 7 5.309 0.656 -8.155 54 HA ALA 7 HA ALA 7 5.389 3.573 -8.492 55 HB1 ALA 7 1HB ALA 7 7.663 2.785 -8.096 56 HB2 ALA 7 2HB ALA 7 7.120 1.824 -6.700 57 HB3 ALA 7 3HB ALA 7 7.061 3.602 -6.633 58 H CYS 8 H CYS 8 5.891 2.577 -5.367 59 HA CYS 8 HA CYS 8 3.041 2.403 -4.701 60 HB2 CYS 8 2HB CYS 8 4.698 0.680 -3.848 61 HB3 CYS 8 3HB CYS 8 5.377 1.955 -2.841 62 H GLY 9 H GLY 9 5.933 4.318 -4.130 63 HA2 GLY 9 2HA GLY 9 5.613 6.725 -3.858 64 HA3 GLY 9 3HA GLY 9 4.220 6.357 -2.853 Start of MODEL 27 1 H1 CYS 1 H CYS 1 6.306 -0.387 -3.142 2 HA CYS 1 HA CYS 1 3.436 0.186 -2.791 3 HB2 CYS 1 2HB CYS 1 4.603 0.229 -5.519 4 HB3 CYS 1 3HB CYS 1 3.355 1.249 -4.811 5 H ARG 2 H ARG 2 4.173 -2.362 -2.049 6 HA ARG 2 HA ARG 2 2.617 -3.880 -3.721 7 HB2 ARG 2 3HB ARG 2 4.520 -5.553 -2.278 8 HB3 ARG 2 2HB ARG 2 4.040 -4.215 -1.253 9 HG2 ARG 2 3HG ARG 2 1.906 -5.722 -2.779 10 HG3 ARG 2 2HG ARG 2 2.589 -6.451 -1.340 11 HD2 ARG 2 3HD ARG 2 1.449 -3.618 -1.386 12 HD3 ARG 2 2HD ARG 2 0.494 -5.024 -0.959 13 HE ARG 2 HE ARG 2 2.809 -5.159 0.644 14 HH11 ARG 2 1HH1 ARG 2 1.735 -3.183 3.312 15 HH12 ARG 2 2HH1 ARG 2 2.868 -4.387 2.794 16 HH21 ARG 2 1HH2 ARG 2 0.159 -2.355 1.824 17 HH22 ARG 2 2HH2 ARG 2 0.115 -2.941 0.194 18 HA PRO 3 HA PRO 3 6.702 -5.590 -5.457 19 HB2 PRO 3 3HB PRO 3 8.421 -5.887 -3.955 20 HB3 PRO 3 2HB PRO 3 9.085 -4.465 -4.735 21 HG2 PRO 3 3HG PRO 3 8.275 -4.589 -2.054 22 HG3 PRO 3 2HG PRO 3 8.532 -3.108 -2.955 23 HD2 PRO 3 3HD PRO 3 6.010 -4.200 -2.000 24 HD3 PRO 3 2HD PRO 3 6.282 -2.664 -2.798 25 H LEU 4 H LEU 4 5.107 -3.889 -6.653 26 HA LEU 4 HA LEU 4 6.726 -2.911 -8.708 27 HB2 LEU 4 3HB LEU 4 5.549 -0.516 -7.510 28 HB3 LEU 4 2HB LEU 4 6.807 -1.231 -6.522 29 HG LEU 4 HG LEU 4 7.369 0.597 -8.316 30 HD11 LEU 4 1HD2 LEU 4 9.241 -1.740 -8.384 31 HD12 LEU 4 2HD2 LEU 4 8.880 -0.955 -6.828 32 HD13 LEU 4 3HD2 LEU 4 9.578 -0.006 -8.162 33 HD21 LEU 4 1HD1 LEU 4 6.251 -1.033 -10.079 34 HD22 LEU 4 2HD1 LEU 4 7.891 -1.724 -10.121 35 HD23 LEU 4 3HD1 LEU 4 7.640 -0.004 -10.501 36 H TRP 5 H TRP 5 3.677 -2.743 -6.830 37 HA TRP 5 HA TRP 5 1.587 -3.109 -7.521 38 HB2 TRP 5 3HB TRP 5 2.459 -3.192 -10.400 39 HB3 TRP 5 2HB TRP 5 2.731 -4.548 -9.324 40 HD1 TRP 5 HD1 TRP 5 0.177 -3.309 -11.662 41 HE1 TRP 5 HE1 TRP 5 -2.171 -4.486 -11.404 42 HE3 TRP 5 HE3 TRP 5 1.148 -5.424 -7.142 43 HZ2 TRP 5 HZ2 TRP 5 -3.332 -6.133 -9.383 44 HZ3 TRP 5 HZ3 TRP 5 -0.646 -6.802 -6.095 45 HH2 TRP 5 HH2 TRP 5 -2.824 -7.171 -7.141 46 H THR 6 H THR 6 2.850 -0.547 -7.055 47 HA THR 6 HA THR 6 2.224 1.596 -7.154 48 HB THR 6 HB THR 6 0.206 0.966 -9.340 49 HG1 THR 6 HG1 THR 6 -0.013 0.562 -6.445 50 HG21 THR 6 1HG2 THR 6 0.409 3.316 -8.375 51 HG22 THR 6 2HG2 THR 6 0.033 2.631 -6.776 52 HG23 THR 6 3HG2 THR 6 -1.176 2.560 -8.081 53 H ALA 7 H ALA 7 4.445 1.762 -7.969 54 HA ALA 7 HA ALA 7 4.472 3.289 -10.350 55 HB1 ALA 7 1HB ALA 7 4.979 0.408 -10.548 56 HB2 ALA 7 2HB ALA 7 6.358 1.379 -11.116 57 HB3 ALA 7 3HB ALA 7 4.747 1.614 -11.836 58 H CYS 8 H CYS 8 5.086 4.110 -7.983 59 HA CYS 8 HA CYS 8 6.686 5.182 -6.771 60 HB2 CYS 8 2HB CYS 8 8.579 2.902 -7.119 61 HB3 CYS 8 3HB CYS 8 8.176 3.813 -5.668 62 H GLY 9 H GLY 9 7.445 6.894 -7.875 63 HA2 GLY 9 2HA GLY 9 8.842 8.175 -9.168 64 HA3 GLY 9 3HA GLY 9 10.044 6.920 -8.904 Start of MODEL 28 1 H1 CYS 1 H CYS 1 0.041 -1.479 -4.146 2 HA CYS 1 HA CYS 1 2.264 -0.750 -4.313 3 HB2 CYS 1 2HB CYS 1 1.443 1.162 -2.649 4 HB3 CYS 1 3HB CYS 1 2.342 0.192 -1.487 5 H ARG 2 H ARG 2 3.497 -2.595 -4.348 6 HA ARG 2 HA ARG 2 3.132 -4.694 -2.709 7 HB2 ARG 2 3HB ARG 2 5.674 -3.962 -1.570 8 HB3 ARG 2 2HB ARG 2 4.598 -2.600 -1.327 9 HG2 ARG 2 3HG ARG 2 2.862 -4.422 -0.524 10 HG3 ARG 2 2HG ARG 2 4.265 -5.459 -0.364 11 HD2 ARG 2 3HD ARG 2 4.138 -4.494 1.780 12 HD3 ARG 2 2HD ARG 2 5.311 -3.455 0.995 13 HE ARG 2 HE ARG 2 2.798 -2.306 0.449 14 HH11 ARG 2 1HH1 ARG 2 2.447 -0.364 3.327 15 HH12 ARG 2 2HH1 ARG 2 1.920 -0.603 1.695 16 HH21 ARG 2 1HH2 ARG 2 4.045 -1.772 4.249 17 HH22 ARG 2 2HH2 ARG 2 4.711 -3.062 3.304 18 HA PRO 3 HA PRO 3 7.324 -4.872 -4.952 19 HB2 PRO 3 3HB PRO 3 8.857 -3.240 -4.416 20 HB3 PRO 3 2HB PRO 3 8.427 -2.596 -5.988 21 HG2 PRO 3 3HG PRO 3 7.943 -1.309 -3.546 22 HG3 PRO 3 2HG PRO 3 7.163 -0.905 -5.062 23 HD2 PRO 3 3HD PRO 3 5.966 -2.133 -2.711 24 HD3 PRO 3 2HD PRO 3 5.164 -1.623 -4.183 25 H LEU 4 H LEU 4 6.337 -2.018 -6.761 26 HA LEU 4 HA LEU 4 5.068 -3.756 -8.705 27 HB2 LEU 4 3HB LEU 4 6.758 -3.809 -10.109 28 HB3 LEU 4 2HB LEU 4 6.626 -2.070 -10.283 29 HG LEU 4 HG LEU 4 8.150 -2.042 -8.123 30 HD11 LEU 4 1HD2 LEU 4 9.695 -4.261 -9.009 31 HD12 LEU 4 2HD2 LEU 4 8.037 -4.833 -8.706 32 HD13 LEU 4 3HD2 LEU 4 8.937 -3.991 -7.422 33 HD21 LEU 4 1HD1 LEU 4 8.839 -1.001 -10.146 34 HD22 LEU 4 2HD1 LEU 4 9.076 -2.569 -10.954 35 HD23 LEU 4 3HD1 LEU 4 10.163 -2.074 -9.635 36 H TRP 5 H TRP 5 3.207 -2.831 -9.393 37 HA TRP 5 HA TRP 5 2.426 -0.337 -8.374 38 HB2 TRP 5 3HB TRP 5 0.495 -0.639 -9.968 39 HB3 TRP 5 2HB TRP 5 1.262 -2.116 -10.518 40 HD1 TRP 5 HD1 TRP 5 2.177 -3.184 -7.558 41 HE1 TRP 5 HE1 TRP 5 0.411 -4.183 -5.871 42 HE3 TRP 5 HE3 TRP 5 -1.882 -0.974 -9.678 43 HZ2 TRP 5 HZ2 TRP 5 -2.421 -3.943 -5.618 44 HZ3 TRP 5 HZ3 TRP 5 -4.111 -1.409 -8.650 45 HH2 TRP 5 HH2 TRP 5 -4.418 -2.835 -6.689 46 H THR 6 H THR 6 4.532 -1.233 -10.928 47 HA THR 6 HA THR 6 3.942 0.656 -12.889 48 HB THR 6 HB THR 6 5.575 -1.397 -12.839 49 HG1 THR 6 HG1 THR 6 5.230 0.463 -14.470 50 HG21 THR 6 1HG2 THR 6 7.819 -1.017 -12.205 51 HG22 THR 6 2HG2 THR 6 6.949 -0.168 -10.905 52 HG23 THR 6 3HG2 THR 6 7.635 0.752 -12.265 53 H ALA 7 H ALA 7 5.614 0.971 -9.759 54 HA ALA 7 HA ALA 7 5.401 3.833 -10.027 55 HB1 ALA 7 1HB ALA 7 7.562 4.302 -10.442 56 HB2 ALA 7 2HB ALA 7 7.795 2.575 -10.806 57 HB3 ALA 7 3HB ALA 7 8.108 3.189 -9.165 58 H CYS 8 H CYS 8 4.280 1.648 -8.476 59 HA CYS 8 HA CYS 8 5.405 1.465 -5.904 60 HB2 CYS 8 2HB CYS 8 4.958 3.813 -5.663 61 HB3 CYS 8 3HB CYS 8 3.320 3.619 -6.279 62 H GLY 9 H GLY 9 2.016 2.203 -6.635 63 HA2 GLY 9 2HA GLY 9 1.376 -0.658 -6.395 64 HA3 GLY 9 3HA GLY 9 0.572 0.493 -5.338 Start of MODEL 29 1 H1 CYS 1 H CYS 1 0.022 -2.634 -2.434 2 HA CYS 1 HA CYS 1 1.443 -2.884 -4.381 3 HB2 CYS 1 2HB CYS 1 3.312 -0.958 -3.001 4 HB3 CYS 1 3HB CYS 1 3.413 -1.564 -4.651 5 H ARG 2 H ARG 2 4.139 -3.483 -4.205 6 HA ARG 2 HA ARG 2 4.119 -5.788 -2.791 7 HB2 ARG 2 3HB ARG 2 6.070 -4.435 -1.139 8 HB3 ARG 2 2HB ARG 2 4.572 -3.532 -1.037 9 HG2 ARG 2 3HG ARG 2 3.330 -5.531 -0.357 10 HG3 ARG 2 2HG ARG 2 4.717 -6.558 -0.663 11 HD2 ARG 2 3HD ARG 2 4.897 -6.275 1.654 12 HD3 ARG 2 2HD ARG 2 5.937 -4.981 1.094 13 HE ARG 2 HE ARG 2 3.239 -4.684 2.277 14 HH11 ARG 2 1HH1 ARG 2 3.578 -1.213 2.402 15 HH12 ARG 2 2HH1 ARG 2 2.626 -2.572 2.898 16 HH21 ARG 2 1HH2 ARG 2 5.477 -1.537 1.107 17 HH22 ARG 2 2HH2 ARG 2 5.941 -3.138 0.636 18 HA PRO 3 HA PRO 3 8.503 -4.526 -4.136 19 HB2 PRO 3 3HB PRO 3 9.361 -2.605 -3.199 20 HB3 PRO 3 2HB PRO 3 9.052 -1.929 -4.786 21 HG2 PRO 3 3HG PRO 3 7.775 -1.119 -2.427 22 HG3 PRO 3 2HG PRO 3 7.199 -0.775 -4.045 23 HD2 PRO 3 3HD PRO 3 6.013 -2.552 -2.070 24 HD3 PRO 3 2HD PRO 3 5.377 -2.118 -3.644 25 H LEU 4 H LEU 4 6.252 -2.371 -5.792 26 HA LEU 4 HA LEU 4 6.381 -4.010 -8.111 27 HB2 LEU 4 3HB LEU 4 8.123 -3.109 -9.114 28 HB3 LEU 4 2HB LEU 4 7.158 -1.660 -9.310 29 HG LEU 4 HG LEU 4 8.175 -1.305 -6.781 30 HD11 LEU 4 1HD2 LEU 4 10.030 -2.461 -6.412 31 HD12 LEU 4 2HD2 LEU 4 10.736 -1.880 -7.939 32 HD13 LEU 4 3HD2 LEU 4 9.749 -3.361 -7.921 33 HD21 LEU 4 1HD1 LEU 4 8.423 0.604 -7.911 34 HD22 LEU 4 2HD1 LEU 4 8.628 -0.235 -9.468 35 HD23 LEU 4 3HD1 LEU 4 10.021 -0.027 -8.379 36 H TRP 5 H TRP 5 4.399 -3.912 -9.037 37 HA TRP 5 HA TRP 5 2.542 -1.978 -8.025 38 HB2 TRP 5 3HB TRP 5 2.181 -4.096 -10.152 39 HB3 TRP 5 2HB TRP 5 1.992 -4.367 -8.431 40 HD1 TRP 5 HD1 TRP 5 -0.106 -3.667 -11.322 41 HE1 TRP 5 HE1 TRP 5 -2.483 -2.682 -10.736 42 HE3 TRP 5 HE3 TRP 5 1.018 -2.407 -6.525 43 HZ2 TRP 5 HZ2 TRP 5 -3.601 -1.513 -8.386 44 HZ3 TRP 5 HZ3 TRP 5 -0.774 -1.348 -5.153 45 HH2 TRP 5 HH2 TRP 5 -3.018 -0.897 -6.010 46 H THR 6 H THR 6 5.032 -1.755 -10.192 47 HA THR 6 HA THR 6 3.522 -0.136 -12.120 48 HB THR 6 HB THR 6 6.382 -1.236 -12.194 49 HG1 THR 6 HG1 THR 6 3.780 -2.006 -13.316 50 HG21 THR 6 1HG2 THR 6 5.640 -0.974 -14.777 51 HG22 THR 6 2HG2 THR 6 6.409 0.372 -13.902 52 HG23 THR 6 3HG2 THR 6 4.641 0.334 -14.099 53 H ALA 7 H ALA 7 3.987 0.731 -9.338 54 HA ALA 7 HA ALA 7 5.211 3.257 -10.030 55 HB1 ALA 7 1HB ALA 7 6.675 1.217 -8.649 56 HB2 ALA 7 2HB ALA 7 6.299 2.508 -7.484 57 HB3 ALA 7 3HB ALA 7 7.166 2.893 -8.990 58 H CYS 8 H CYS 8 2.601 2.029 -9.357 59 HA CYS 8 HA CYS 8 0.721 2.534 -8.181 60 HB2 CYS 8 2HB CYS 8 2.379 3.201 -5.772 61 HB3 CYS 8 3HB CYS 8 0.813 2.403 -5.855 62 H GLY 9 H GLY 9 -0.218 4.340 -8.895 63 HA2 GLY 9 2HA GLY 9 -0.777 6.557 -9.098 64 HA3 GLY 9 3HA GLY 9 -0.068 6.764 -7.504 Start of MODEL 30 1 H1 CYS 1 H CYS 1 6.568 0.273 -6.123 2 HA CYS 1 HA CYS 1 7.887 -0.900 -4.587 3 HB2 CYS 1 2HB CYS 1 8.250 0.688 -2.602 4 HB3 CYS 1 3HB CYS 1 8.559 1.324 -4.214 5 H ARG 2 H ARG 2 5.301 -2.112 -4.460 6 HA ARG 2 HA ARG 2 4.121 -2.032 -2.016 7 HB2 ARG 2 3HB ARG 2 5.491 -4.554 -1.647 8 HB3 ARG 2 2HB ARG 2 6.709 -3.315 -1.872 9 HG2 ARG 2 3HG ARG 2 5.170 -1.949 -0.151 10 HG3 ARG 2 2HG ARG 2 4.623 -3.553 0.299 11 HD2 ARG 2 3HD ARG 2 6.442 -3.385 1.732 12 HD3 ARG 2 2HD ARG 2 7.262 -4.072 0.344 13 HE ARG 2 HE ARG 2 8.337 -2.011 -0.037 14 HH11 ARG 2 1HH1 ARG 2 8.074 0.988 1.729 15 HH12 ARG 2 2HH1 ARG 2 8.970 0.109 0.535 16 HH21 ARG 2 1HH2 ARG 2 6.232 0.011 2.748 17 HH22 ARG 2 2HH2 ARG 2 5.753 -1.596 2.315 18 HA PRO 3 HA PRO 3 3.197 -6.066 -4.359 19 HB2 PRO 3 3HB PRO 3 4.981 -7.469 -4.747 20 HB3 PRO 3 2HB PRO 3 4.828 -6.886 -6.393 21 HG2 PRO 3 3HG PRO 3 7.042 -6.432 -4.735 22 HG3 PRO 3 2HG PRO 3 6.680 -5.527 -6.191 23 HD2 PRO 3 3HD PRO 3 6.567 -4.596 -3.437 24 HD3 PRO 3 2HD PRO 3 6.318 -3.662 -4.898 25 H LEU 4 H LEU 4 3.166 -3.135 -5.194 26 HA LEU 4 HA LEU 4 2.019 -1.948 -6.661 27 HB2 LEU 4 3HB LEU 4 0.379 -3.172 -8.168 28 HB3 LEU 4 2HB LEU 4 0.908 -4.652 -7.392 29 HG LEU 4 HG LEU 4 -0.217 -2.303 -5.851 30 HD11 LEU 4 1HD2 LEU 4 -2.188 -4.213 -5.825 31 HD12 LEU 4 2HD2 LEU 4 -1.599 -4.296 -7.503 32 HD13 LEU 4 3HD2 LEU 4 -2.174 -2.748 -6.836 33 HD21 LEU 4 1HD1 LEU 4 -0.763 -4.567 -4.423 34 HD22 LEU 4 2HD1 LEU 4 0.639 -3.501 -4.161 35 HD23 LEU 4 3HD1 LEU 4 0.811 -4.970 -5.151 36 H TRP 5 H TRP 5 2.810 -0.872 -8.403 37 HA TRP 5 HA TRP 5 3.975 -2.430 -10.566 38 HB2 TRP 5 3HB TRP 5 5.563 -0.215 -9.279 39 HB3 TRP 5 2HB TRP 5 5.755 -1.894 -8.816 40 HD1 TRP 5 HD1 TRP 5 6.775 0.548 -11.527 41 HE1 TRP 5 HE1 TRP 5 8.362 -0.559 -13.322 42 HE3 TRP 5 HE3 TRP 5 6.087 -4.238 -9.953 43 HZ2 TRP 5 HZ2 TRP 5 9.134 -3.252 -13.869 44 HZ3 TRP 5 HZ3 TRP 5 7.294 -6.047 -11.172 45 HH2 TRP 5 HH2 TRP 5 8.775 -5.616 -13.068 46 H THR 6 H THR 6 1.584 -0.590 -9.789 47 HA THR 6 HA THR 6 0.357 0.973 -10.785 48 HB THR 6 HB THR 6 2.298 0.837 -13.138 49 HG1 THR 6 HG1 THR 6 0.986 -1.099 -13.644 50 HG21 THR 6 1HG2 THR 6 0.420 2.363 -13.514 51 HG22 THR 6 2HG2 THR 6 -0.727 1.189 -12.825 52 HG23 THR 6 3HG2 THR 6 0.064 0.851 -14.384 53 H ALA 7 H ALA 7 3.004 1.548 -9.251 54 HA ALA 7 HA ALA 7 2.696 4.307 -9.195 55 HB1 ALA 7 1HB ALA 7 4.316 3.366 -11.392 56 HB2 ALA 7 2HB ALA 7 5.343 4.250 -10.239 57 HB3 ALA 7 3HB ALA 7 3.908 5.038 -10.938 58 H CYS 8 H CYS 8 2.613 3.277 -7.080 59 HA CYS 8 HA CYS 8 4.766 2.010 -5.828 60 HB2 CYS 8 2HB CYS 8 5.391 4.654 -6.322 61 HB3 CYS 8 3HB CYS 8 4.805 4.694 -4.662 62 H GLY 9 H GLY 9 3.863 1.009 -4.159 63 HA2 GLY 9 2HA GLY 9 1.413 2.142 -3.005 64 HA3 GLY 9 3HA GLY 9 1.927 0.466 -2.885 Start of MODEL 31 1 H1 CYS 1 H CYS 1 2.009 1.057 -0.620 2 HA CYS 1 HA CYS 1 2.528 0.280 -2.861 3 HB2 CYS 1 2HB CYS 1 4.716 2.293 -2.475 4 HB3 CYS 1 3HB CYS 1 4.944 0.964 -3.607 5 H ARG 2 H ARG 2 4.310 -1.378 -3.495 6 HA ARG 2 HA ARG 2 4.642 -3.085 -1.409 7 HB2 ARG 2 3HB ARG 2 7.435 -2.216 -1.952 8 HB3 ARG 2 2HB ARG 2 6.487 -1.017 -1.096 9 HG2 ARG 2 3HG ARG 2 6.328 -3.876 -0.147 10 HG3 ARG 2 2HG ARG 2 7.791 -2.978 0.205 11 HD2 ARG 2 3HD ARG 2 4.948 -2.146 0.961 12 HD3 ARG 2 2HD ARG 2 6.176 -2.738 2.062 13 HE ARG 2 HE ARG 2 6.030 -0.051 0.881 14 HH11 ARG 2 1HH1 ARG 2 8.896 1.013 2.565 15 HH12 ARG 2 2HH1 ARG 2 7.523 1.508 1.632 16 HH21 ARG 2 1HH2 ARG 2 9.219 -1.233 3.051 17 HH22 ARG 2 2HH2 ARG 2 8.088 -2.414 2.482 18 HA PRO 3 HA PRO 3 7.223 -4.289 -5.221 19 HB2 PRO 3 3HB PRO 3 8.865 -2.811 -5.871 20 HB3 PRO 3 2HB PRO 3 7.743 -2.440 -7.165 21 HG2 PRO 3 3HG PRO 3 8.536 -0.638 -5.171 22 HG3 PRO 3 2HG PRO 3 7.129 -0.440 -6.197 23 HD2 PRO 3 3HD PRO 3 7.192 -0.998 -3.341 24 HD3 PRO 3 2HD PRO 3 5.790 -0.685 -4.345 25 H LEU 4 H LEU 4 6.937 -4.168 -7.932 26 HA LEU 4 HA LEU 4 4.019 -4.432 -8.099 27 HB2 LEU 4 3HB LEU 4 4.697 -5.879 -10.136 28 HB3 LEU 4 2HB LEU 4 6.288 -5.907 -9.402 29 HG LEU 4 HG LEU 4 3.777 -6.794 -7.961 30 HD11 LEU 4 1HD2 LEU 4 3.925 -8.285 -9.776 31 HD12 LEU 4 2HD2 LEU 4 4.697 -9.127 -8.411 32 HD13 LEU 4 3HD2 LEU 4 5.700 -8.372 -9.673 33 HD21 LEU 4 1HD1 LEU 4 6.726 -7.117 -7.355 34 HD22 LEU 4 2HD1 LEU 4 5.424 -7.980 -6.502 35 HD23 LEU 4 3HD1 LEU 4 5.514 -6.204 -6.424 36 H TRP 5 H TRP 5 4.548 -1.880 -8.234 37 HA TRP 5 HA TRP 5 5.371 -1.091 -10.880 38 HB2 TRP 5 3HB TRP 5 4.260 1.105 -9.565 39 HB3 TRP 5 2HB TRP 5 4.995 0.160 -8.286 40 HD1 TRP 5 HD1 TRP 5 7.750 -0.471 -8.790 41 HE1 TRP 5 HE1 TRP 5 9.680 1.005 -9.820 42 HE3 TRP 5 HE3 TRP 5 4.683 2.855 -11.112 43 HZ2 TRP 5 HZ2 TRP 5 9.707 3.345 -11.453 44 HZ3 TRP 5 HZ3 TRP 5 5.742 4.705 -12.403 45 HH2 TRP 5 HH2 TRP 5 8.163 4.980 -12.595 46 H THR 6 H THR 6 2.920 -2.881 -10.255 47 HA THR 6 HA THR 6 0.735 -3.017 -10.754 48 HB THR 6 HB THR 6 0.351 -2.566 -13.133 49 HG1 THR 6 HG1 THR 6 2.160 -1.136 -14.092 50 HG21 THR 6 1HG2 THR 6 3.321 -2.787 -13.324 51 HG22 THR 6 2HG2 THR 6 2.064 -3.854 -13.995 52 HG23 THR 6 3HG2 THR 6 2.553 -4.017 -12.291 53 H ALA 7 H ALA 7 1.379 -0.805 -8.968 54 HA ALA 7 HA ALA 7 -1.080 0.426 -8.887 55 HB1 ALA 7 1HB ALA 7 -0.782 1.724 -10.792 56 HB2 ALA 7 2HB ALA 7 0.976 1.863 -10.553 57 HB3 ALA 7 3HB ALA 7 -0.138 2.811 -9.538 58 H CYS 8 H CYS 8 -0.904 0.130 -6.754 59 HA CYS 8 HA CYS 8 1.389 0.647 -5.189 60 HB2 CYS 8 2HB CYS 8 0.416 2.998 -5.910 61 HB3 CYS 8 3HB CYS 8 -0.719 2.682 -4.601 62 H GLY 9 H GLY 9 -2.111 1.211 -4.745 63 HA2 GLY 9 2HA GLY 9 -3.639 -0.145 -3.608 64 HA3 GLY 9 3HA GLY 9 -2.314 -1.192 -3.123 Start of MODEL 32 1 H1 CYS 1 H CYS 1 -1.113 -0.815 -1.133 2 HA CYS 1 HA CYS 1 -0.443 -2.978 -2.107 3 HB2 CYS 1 2HB CYS 1 0.291 -2.113 -4.387 4 HB3 CYS 1 3HB CYS 1 -1.230 -1.479 -3.765 5 H ARG 2 H ARG 2 1.562 -3.438 -3.991 6 HA ARG 2 HA ARG 2 3.657 -4.104 -2.289 7 HB2 ARG 2 3HB ARG 2 5.121 -2.523 -4.178 8 HB3 ARG 2 2HB ARG 2 3.854 -1.483 -3.558 9 HG2 ARG 2 3HG ARG 2 4.905 -2.914 -1.308 10 HG3 ARG 2 2HG ARG 2 6.285 -2.365 -2.238 11 HD2 ARG 2 3HD ARG 2 5.993 -0.249 -1.468 12 HD3 ARG 2 2HD ARG 2 4.384 -0.198 -2.160 13 HE ARG 2 HE ARG 2 4.582 -1.668 0.389 14 HH11 ARG 2 1HH1 ARG 2 2.742 0.767 2.081 15 HH12 ARG 2 2HH1 ARG 2 3.411 -0.828 2.163 16 HH21 ARG 2 1HH2 ARG 2 3.034 2.052 0.170 17 HH22 ARG 2 2HH2 ARG 2 3.922 1.415 -1.174 18 HA PRO 3 HA PRO 3 4.611 -6.607 -5.744 19 HB2 PRO 3 3HB PRO 3 6.364 -7.682 -4.708 20 HB3 PRO 3 2HB PRO 3 7.336 -6.787 -5.859 21 HG2 PRO 3 3HG PRO 3 7.427 -6.441 -3.080 22 HG3 PRO 3 2HG PRO 3 8.051 -5.298 -4.251 23 HD2 PRO 3 3HD PRO 3 5.741 -4.986 -2.509 24 HD3 PRO 3 2HD PRO 3 6.435 -3.800 -3.597 25 H LEU 4 H LEU 4 3.797 -5.879 -7.627 26 HA LEU 4 HA LEU 4 3.991 -5.142 -9.718 27 HB2 LEU 4 3HB LEU 4 6.598 -3.884 -9.685 28 HB3 LEU 4 2HB LEU 4 6.675 -5.498 -9.007 29 HG LEU 4 HG LEU 4 5.592 -4.767 -11.742 30 HD11 LEU 4 1HD2 LEU 4 7.636 -5.048 -12.565 31 HD12 LEU 4 2HD2 LEU 4 7.845 -6.588 -11.697 32 HD13 LEU 4 3HD2 LEU 4 8.240 -5.051 -10.890 33 HD21 LEU 4 1HD1 LEU 4 6.093 -7.554 -11.500 34 HD22 LEU 4 2HD1 LEU 4 4.546 -6.720 -11.783 35 HD23 LEU 4 3HD1 LEU 4 5.081 -7.063 -10.120 36 H TRP 5 H TRP 5 5.670 -2.944 -7.366 37 HA TRP 5 HA TRP 5 5.634 -0.606 -7.644 38 HB2 TRP 5 3HB TRP 5 3.027 -0.558 -6.432 39 HB3 TRP 5 2HB TRP 5 3.925 -1.938 -5.831 40 HD1 TRP 5 HD1 TRP 5 3.285 1.237 -4.540 41 HE1 TRP 5 HE1 TRP 5 5.225 2.390 -3.172 42 HE3 TRP 5 HE3 TRP 5 7.021 -1.692 -6.361 43 HZ2 TRP 5 HZ2 TRP 5 8.041 1.956 -3.008 44 HZ3 TRP 5 HZ3 TRP 5 9.337 -1.262 -5.546 45 HH2 TRP 5 HH2 TRP 5 9.875 0.489 -3.927 46 H THR 6 H THR 6 5.429 -0.608 -10.098 47 HA THR 6 HA THR 6 2.742 -0.295 -11.122 48 HB THR 6 HB THR 6 5.493 -0.011 -12.444 49 HG1 THR 6 HG1 THR 6 4.746 -2.287 -13.078 50 HG21 THR 6 1HG2 THR 6 4.286 0.462 -14.326 51 HG22 THR 6 2HG2 THR 6 2.760 0.314 -13.423 52 HG23 THR 6 3HG2 THR 6 3.501 -1.127 -14.159 53 H ALA 7 H ALA 7 3.818 1.597 -9.027 54 HA ALA 7 HA ALA 7 3.328 4.025 -10.602 55 HB1 ALA 7 1HB ALA 7 5.608 4.273 -10.204 56 HB2 ALA 7 2HB ALA 7 5.541 3.395 -8.657 57 HB3 ALA 7 3HB ALA 7 4.919 5.060 -8.763 58 H CYS 8 H CYS 8 1.901 2.009 -8.756 59 HA CYS 8 HA CYS 8 -0.019 3.655 -7.683 60 HB2 CYS 8 2HB CYS 8 -0.955 1.759 -6.846 61 HB3 CYS 8 3HB CYS 8 0.266 0.983 -7.850 62 H GLY 9 H GLY 9 3.109 2.865 -6.396 63 HA2 GLY 9 2HA GLY 9 4.265 3.710 -4.600 64 HA3 GLY 9 3HA GLY 9 3.050 4.977 -4.523 Start of MODEL 33 1 H1 CYS 1 H CYS 1 3.781 3.595 -2.068 2 HA CYS 1 HA CYS 1 4.685 1.698 -4.116 3 HB2 CYS 1 2HB CYS 1 5.900 2.093 -1.384 4 HB3 CYS 1 3HB CYS 1 6.633 1.347 -2.801 5 H ARG 2 H ARG 2 4.078 -0.447 -4.080 6 HA ARG 2 HA ARG 2 2.103 -1.299 -2.447 7 HB2 ARG 2 3HB ARG 2 4.205 -2.976 -1.343 8 HB3 ARG 2 2HB ARG 2 4.607 -1.299 -1.028 9 HG2 ARG 2 3HG ARG 2 1.875 -1.378 -0.449 10 HG3 ARG 2 2HG ARG 2 2.419 -2.953 0.093 11 HD2 ARG 2 3HD ARG 2 3.334 -0.217 1.037 12 HD3 ARG 2 2HD ARG 2 2.730 -1.554 1.996 13 HE ARG 2 HE ARG 2 5.474 -1.126 1.208 14 HH11 ARG 2 1HH1 ARG 2 6.569 -4.313 2.115 15 HH12 ARG 2 2HH1 ARG 2 7.052 -2.698 1.716 16 HH21 ARG 2 1HH2 ARG 2 4.318 -4.880 2.133 17 HH22 ARG 2 2HH2 ARG 2 3.122 -3.688 1.748 18 HA PRO 3 HA PRO 3 4.280 -4.879 -4.703 19 HB2 PRO 3 3HB PRO 3 6.495 -5.236 -4.185 20 HB3 PRO 3 2HB PRO 3 6.775 -4.520 -5.759 21 HG2 PRO 3 3HG PRO 3 7.592 -3.399 -3.324 22 HG3 PRO 3 2HG PRO 3 7.478 -2.526 -4.839 23 HD2 PRO 3 3HD PRO 3 5.810 -2.221 -2.474 24 HD3 PRO 3 2HD PRO 3 5.772 -1.271 -3.946 25 H LEU 4 H LEU 4 5.236 -5.405 -7.111 26 HA LEU 4 HA LEU 4 4.946 -5.059 -9.276 27 HB2 LEU 4 3HB LEU 4 4.142 -2.270 -9.303 28 HB3 LEU 4 2HB LEU 4 5.560 -2.516 -8.304 29 HG LEU 4 HG LEU 4 5.283 -3.360 -11.203 30 HD11 LEU 4 1HD2 LEU 4 7.122 -1.208 -10.184 31 HD12 LEU 4 2HD2 LEU 4 5.428 -0.847 -10.593 32 HD13 LEU 4 3HD2 LEU 4 6.523 -1.501 -11.834 33 HD21 LEU 4 1HD1 LEU 4 7.838 -3.607 -10.934 34 HD22 LEU 4 2HD1 LEU 4 6.784 -4.893 -10.299 35 HD23 LEU 4 3HD1 LEU 4 7.497 -3.697 -9.190 36 H TRP 5 H TRP 5 2.599 -2.524 -8.247 37 HA TRP 5 HA TRP 5 0.359 -4.106 -8.030 38 HB2 TRP 5 3HB TRP 5 0.426 -4.934 -10.180 39 HB3 TRP 5 2HB TRP 5 -0.687 -3.586 -10.304 40 HD1 TRP 5 HD1 TRP 5 0.702 -1.160 -11.202 41 HE1 TRP 5 HE1 TRP 5 2.386 -0.876 -13.214 42 HE3 TRP 5 HE3 TRP 5 2.010 -6.065 -11.486 43 HZ2 TRP 5 HZ2 TRP 5 4.040 -2.693 -14.665 44 HZ3 TRP 5 HZ3 TRP 5 3.665 -6.727 -13.229 45 HH2 TRP 5 HH2 TRP 5 4.671 -5.132 -14.785 46 H THR 6 H THR 6 1.915 -1.118 -9.259 47 HA THR 6 HA THR 6 -0.390 0.447 -8.355 48 HB THR 6 HB THR 6 1.350 2.221 -9.505 49 HG1 THR 6 HG1 THR 6 2.946 0.666 -10.031 50 HG21 THR 6 1HG2 THR 6 -0.880 0.545 -10.495 51 HG22 THR 6 2HG2 THR 6 0.277 0.974 -11.778 52 HG23 THR 6 3HG2 THR 6 -0.522 2.255 -10.835 53 H ALA 7 H ALA 7 3.063 1.404 -8.318 54 HA ALA 7 HA ALA 7 3.102 1.302 -5.433 55 HB1 ALA 7 1HB ALA 7 3.594 3.739 -5.241 56 HB2 ALA 7 2HB ALA 7 1.941 3.419 -5.820 57 HB3 ALA 7 3HB ALA 7 3.202 3.930 -6.967 58 H CYS 8 H CYS 8 5.112 3.681 -6.505 59 HA CYS 8 HA CYS 8 7.147 3.026 -7.961 60 HB2 CYS 8 2HB CYS 8 8.665 3.531 -5.771 61 HB3 CYS 8 3HB CYS 8 7.835 4.776 -6.699 62 H GLY 9 H GLY 9 7.503 1.823 -4.633 63 HA2 GLY 9 2HA GLY 9 7.657 -0.581 -4.202 64 HA3 GLY 9 3HA GLY 9 8.442 -0.738 -5.766 Start of MODEL 34 1 H1 CYS 1 H CYS 1 0.770 1.029 -0.908 2 HA CYS 1 HA CYS 1 1.171 -0.845 -2.302 3 HB2 CYS 1 2HB CYS 1 2.863 1.425 -2.503 4 HB3 CYS 1 3HB CYS 1 3.849 0.008 -2.846 5 H ARG 2 H ARG 2 3.750 -1.925 -3.067 6 HA ARG 2 HA ARG 2 3.863 -3.992 -1.243 7 HB2 ARG 2 3HB ARG 2 6.563 -3.004 -0.964 8 HB3 ARG 2 2HB ARG 2 5.481 -1.704 -0.505 9 HG2 ARG 2 3HG ARG 2 4.290 -3.246 1.065 10 HG3 ARG 2 2HG ARG 2 5.364 -4.551 0.602 11 HD2 ARG 2 3HD ARG 2 6.634 -3.853 2.377 12 HD3 ARG 2 2HD ARG 2 7.205 -2.614 1.277 13 HE ARG 2 HE ARG 2 5.241 -2.258 3.462 14 HH11 ARG 2 1HH1 ARG 2 5.223 1.202 3.009 15 HH12 ARG 2 2HH1 ARG 2 4.723 -0.106 4.029 16 HH21 ARG 2 1HH2 ARG 2 6.418 0.768 1.067 17 HH22 ARG 2 2HH2 ARG 2 6.811 -0.864 0.638 18 HA PRO 3 HA PRO 3 7.281 -4.265 -4.527 19 HB2 PRO 3 3HB PRO 3 8.895 -2.624 -4.469 20 HB3 PRO 3 2HB PRO 3 8.076 -2.043 -5.906 21 HG2 PRO 3 3HG PRO 3 8.227 -0.651 -3.478 22 HG3 PRO 3 2HG PRO 3 7.085 -0.305 -4.761 23 HD2 PRO 3 3HD PRO 3 6.531 -1.424 -2.132 24 HD3 PRO 3 2HD PRO 3 5.379 -0.970 -3.371 25 H LEU 4 H LEU 4 7.609 -3.418 -7.169 26 HA LEU 4 HA LEU 4 5.175 -4.464 -8.204 27 HB2 LEU 4 3HB LEU 4 6.704 -3.394 -10.295 28 HB3 LEU 4 2HB LEU 4 7.872 -3.935 -9.105 29 HG LEU 4 HG LEU 4 5.743 -5.592 -10.475 30 HD11 LEU 4 1HD2 LEU 4 8.519 -5.035 -11.013 31 HD12 LEU 4 2HD2 LEU 4 7.342 -5.971 -11.965 32 HD13 LEU 4 3HD2 LEU 4 8.289 -6.770 -10.686 33 HD21 LEU 4 1HD1 LEU 4 6.732 -7.518 -9.186 34 HD22 LEU 4 2HD1 LEU 4 5.751 -6.378 -8.234 35 HD23 LEU 4 3HD1 LEU 4 7.528 -6.315 -8.143 36 H TRP 5 H TRP 5 6.542 -1.250 -7.618 37 HA TRP 5 HA TRP 5 5.808 0.798 -8.086 38 HB2 TRP 5 3HB TRP 5 3.081 -0.438 -7.680 39 HB3 TRP 5 2HB TRP 5 4.191 -0.055 -6.379 40 HD1 TRP 5 HD1 TRP 5 1.669 1.597 -8.689 41 HE1 TRP 5 HE1 TRP 5 1.339 4.154 -8.130 42 HE3 TRP 5 HE3 TRP 5 5.606 1.946 -5.490 43 HZ2 TRP 5 HZ2 TRP 5 2.730 5.996 -6.451 44 HZ3 TRP 5 HZ3 TRP 5 6.051 4.160 -4.434 45 HH2 TRP 5 HH2 TRP 5 4.688 6.142 -4.869 46 H THR 6 H THR 6 6.195 -1.123 -10.362 47 HA THR 6 HA THR 6 5.625 -1.421 -12.517 48 HB THR 6 HB THR 6 5.750 0.723 -13.748 49 HG1 THR 6 HG1 THR 6 5.619 2.651 -12.174 50 HG21 THR 6 1HG2 THR 6 7.297 1.561 -11.340 51 HG22 THR 6 2HG2 THR 6 7.855 1.327 -13.014 52 HG23 THR 6 3HG2 THR 6 7.682 -0.074 -11.928 53 H ALA 7 H ALA 7 3.376 -1.733 -10.638 54 HA ALA 7 HA ALA 7 1.350 -2.111 -12.435 55 HB1 ALA 7 1HB ALA 7 0.896 0.108 -12.898 56 HB2 ALA 7 2HB ALA 7 1.439 0.666 -11.297 57 HB3 ALA 7 3HB ALA 7 -0.146 -0.123 -11.474 58 H CYS 8 H CYS 8 1.126 -0.414 -9.333 59 HA CYS 8 HA CYS 8 0.990 -2.679 -7.677 60 HB2 CYS 8 2HB CYS 8 0.831 0.140 -7.366 61 HB3 CYS 8 3HB CYS 8 -0.571 -0.556 -6.561 62 H GLY 9 H GLY 9 -1.488 -0.894 -9.428 63 HA2 GLY 9 2HA GLY 9 -3.436 -2.075 -10.226 64 HA3 GLY 9 3HA GLY 9 -3.380 -3.056 -8.769 Start of MODEL 35 1 H1 CYS 1 H CYS 1 4.641 1.276 -1.325 2 HA CYS 1 HA CYS 1 3.325 0.181 -3.613 3 HB2 CYS 1 2HB CYS 1 6.318 0.593 -3.778 4 HB3 CYS 1 3HB CYS 1 5.349 -0.333 -4.919 5 H ARG 2 H ARG 2 4.873 -2.071 -4.179 6 HA ARG 2 HA ARG 2 4.247 -3.695 -2.104 7 HB2 ARG 2 3HB ARG 2 7.114 -3.940 -1.835 8 HB3 ARG 2 2HB ARG 2 6.703 -2.257 -1.573 9 HG2 ARG 2 3HG ARG 2 4.723 -3.436 -0.100 10 HG3 ARG 2 2HG ARG 2 5.959 -4.669 0.042 11 HD2 ARG 2 3HD ARG 2 6.780 -3.393 1.753 12 HD3 ARG 2 2HD ARG 2 7.446 -2.375 0.492 13 HE ARG 2 HE ARG 2 4.665 -1.723 1.143 14 HH11 ARG 2 1HH1 ARG 2 5.549 1.208 2.819 15 HH12 ARG 2 2HH1 ARG 2 4.248 0.296 2.130 16 HH21 ARG 2 1HH2 ARG 2 7.715 0.379 2.741 17 HH22 ARG 2 2HH2 ARG 2 8.031 -1.151 1.993 18 HA PRO 3 HA PRO 3 7.163 -5.783 -5.228 19 HB2 PRO 3 3HB PRO 3 9.285 -4.908 -5.406 20 HB3 PRO 3 2HB PRO 3 8.682 -4.270 -6.923 21 HG2 PRO 3 3HG PRO 3 9.480 -2.710 -4.736 22 HG3 PRO 3 2HG PRO 3 8.496 -2.137 -6.069 23 HD2 PRO 3 3HD PRO 3 7.687 -2.559 -3.305 24 HD3 PRO 3 2HD PRO 3 6.738 -1.878 -4.611 25 H LEU 4 H LEU 4 4.767 -3.763 -5.652 26 HA LEU 4 HA LEU 4 3.145 -3.616 -7.142 27 HB2 LEU 4 3HB LEU 4 3.082 -5.373 -8.997 28 HB3 LEU 4 2HB LEU 4 4.514 -6.057 -8.254 29 HG LEU 4 HG LEU 4 1.961 -5.619 -6.698 30 HD11 LEU 4 1HD2 LEU 4 0.998 -7.112 -8.067 31 HD12 LEU 4 2HD2 LEU 4 1.986 -8.302 -7.186 32 HD13 LEU 4 3HD2 LEU 4 2.553 -7.653 -8.744 33 HD21 LEU 4 1HD1 LEU 4 3.379 -7.862 -5.778 34 HD22 LEU 4 2HD1 LEU 4 3.222 -6.272 -4.994 35 HD23 LEU 4 3HD1 LEU 4 4.601 -6.601 -6.071 36 H TRP 5 H TRP 5 2.879 -2.007 -8.604 37 HA TRP 5 HA TRP 5 4.854 -1.754 -10.732 38 HB2 TRP 5 3HB TRP 5 4.174 0.806 -9.457 39 HB3 TRP 5 2HB TRP 5 5.150 -0.255 -8.460 40 HD1 TRP 5 HD1 TRP 5 5.308 1.312 -12.033 41 HE1 TRP 5 HE1 TRP 5 7.814 1.707 -12.760 42 HE3 TRP 5 HE3 TRP 5 7.392 -0.850 -7.929 43 HZ2 TRP 5 HZ2 TRP 5 10.330 1.085 -11.565 44 HZ3 TRP 5 HZ3 TRP 5 9.880 -0.914 -7.787 45 HH2 TRP 5 HH2 TRP 5 11.337 0.008 -9.520 46 H THR 6 H THR 6 1.881 -2.511 -10.105 47 HA THR 6 HA THR 6 -0.116 -2.228 -11.041 48 HB THR 6 HB THR 6 1.335 -0.729 -13.273 49 HG1 THR 6 HG1 THR 6 2.101 -2.812 -13.855 50 HG21 THR 6 1HG2 THR 6 -0.419 -2.925 -14.033 51 HG22 THR 6 2HG2 THR 6 -0.546 -1.206 -14.477 52 HG23 THR 6 3HG2 THR 6 -1.309 -1.798 -12.981 53 H ALA 7 H ALA 7 1.124 -0.095 -9.237 54 HA ALA 7 HA ALA 7 -0.978 1.853 -9.764 55 HB1 ALA 7 1HB ALA 7 1.971 2.514 -9.397 56 HB2 ALA 7 2HB ALA 7 0.652 3.707 -9.326 57 HB3 ALA 7 3HB ALA 7 0.976 2.826 -10.839 58 H CYS 8 H CYS 8 1.314 2.918 -7.594 59 HA CYS 8 HA CYS 8 -0.182 1.798 -5.316 60 HB2 CYS 8 2HB CYS 8 2.219 2.347 -4.194 61 HB3 CYS 8 3HB CYS 8 1.781 0.768 -4.837 62 H GLY 9 H GLY 9 2.369 4.262 -5.606 63 HA2 GLY 9 2HA GLY 9 1.611 6.646 -5.634 64 HA3 GLY 9 3HA GLY 9 0.493 6.178 -4.361 Start of MODEL 36 1 H1 CYS 1 H CYS 1 0.488 -0.838 -0.725 2 HA CYS 1 HA CYS 1 1.803 -1.328 -3.303 3 HB2 CYS 1 2HB CYS 1 1.832 0.859 -1.373 4 HB3 CYS 1 3HB CYS 1 3.453 0.352 -1.835 5 H ARG 2 H ARG 2 3.859 -2.358 -3.476 6 HA ARG 2 HA ARG 2 4.321 -4.357 -1.700 7 HB2 ARG 2 3HB ARG 2 6.719 -2.830 -1.137 8 HB3 ARG 2 2HB ARG 2 5.336 -1.846 -0.700 9 HG2 ARG 2 3HG ARG 2 4.452 -3.604 0.755 10 HG3 ARG 2 2HG ARG 2 5.650 -4.750 0.186 11 HD2 ARG 2 3HD ARG 2 6.642 -4.050 2.188 12 HD3 ARG 2 2HD ARG 2 7.399 -2.950 1.054 13 HE ARG 2 HE ARG 2 5.302 -2.271 3.029 14 HH11 ARG 2 1HH1 ARG 2 5.624 1.134 2.336 15 HH12 ARG 2 2HH1 ARG 2 4.929 -0.047 3.396 16 HH21 ARG 2 1HH2 ARG 2 6.935 0.457 0.545 17 HH22 ARG 2 2HH2 ARG 2 7.218 -1.230 0.267 18 HA PRO 3 HA PRO 3 7.957 -3.686 -4.693 19 HB2 PRO 3 3HB PRO 3 9.073 -1.678 -4.533 20 HB3 PRO 3 2HB PRO 3 8.226 -1.313 -6.023 21 HG2 PRO 3 3HG PRO 3 7.844 0.035 -3.596 22 HG3 PRO 3 2HG PRO 3 6.738 0.086 -4.955 23 HD2 PRO 3 3HD PRO 3 6.327 -1.177 -2.365 24 HD3 PRO 3 2HD PRO 3 5.180 -1.026 -3.681 25 H LEU 4 H LEU 4 8.281 -2.912 -7.295 26 HA LEU 4 HA LEU 4 5.828 -4.069 -8.397 27 HB2 LEU 4 3HB LEU 4 7.362 -4.464 -10.395 28 HB3 LEU 4 2HB LEU 4 8.688 -4.019 -9.340 29 HG LEU 4 HG LEU 4 6.759 -6.246 -8.662 30 HD11 LEU 4 1HD2 LEU 4 8.736 -6.204 -10.755 31 HD12 LEU 4 2HD2 LEU 4 7.618 -7.503 -10.274 32 HD13 LEU 4 3HD2 LEU 4 9.209 -7.364 -9.490 33 HD21 LEU 4 1HD1 LEU 4 9.071 -6.916 -7.475 34 HD22 LEU 4 2HD1 LEU 4 7.833 -5.897 -6.700 35 HD23 LEU 4 3HD1 LEU 4 9.249 -5.145 -7.475 36 H TRP 5 H TRP 5 4.832 -1.863 -8.046 37 HA TRP 5 HA TRP 5 5.826 0.224 -9.767 38 HB2 TRP 5 3HB TRP 5 3.168 0.387 -8.438 39 HB3 TRP 5 2HB TRP 5 4.582 0.301 -7.406 40 HD1 TRP 5 HD1 TRP 5 3.247 2.544 -10.308 41 HE1 TRP 5 HE1 TRP 5 4.130 5.017 -10.050 42 HE3 TRP 5 HE3 TRP 5 6.222 1.620 -6.289 43 HZ2 TRP 5 HZ2 TRP 5 5.932 6.282 -8.234 44 HZ3 TRP 5 HZ3 TRP 5 7.509 3.529 -5.334 45 HH2 TRP 5 HH2 TRP 5 7.399 5.796 -6.241 46 H THR 6 H THR 6 4.507 -2.650 -10.464 47 HA THR 6 HA THR 6 3.239 -3.490 -12.089 48 HB THR 6 HB THR 6 3.588 -0.784 -13.468 49 HG1 THR 6 HG1 THR 6 5.573 -1.686 -12.417 50 HG21 THR 6 1HG2 THR 6 4.193 -3.280 -14.917 51 HG22 THR 6 2HG2 THR 6 3.135 -1.933 -15.399 52 HG23 THR 6 3HG2 THR 6 2.504 -3.232 -14.358 53 H ALA 7 H ALA 7 2.002 -1.860 -9.836 54 HA ALA 7 HA ALA 7 -0.654 -2.103 -10.772 55 HB1 ALA 7 1HB ALA 7 0.582 0.657 -10.581 56 HB2 ALA 7 2HB ALA 7 -1.162 0.399 -10.341 57 HB3 ALA 7 3HB ALA 7 -0.404 -0.035 -11.891 58 H CYS 8 H CYS 8 -0.136 0.494 -8.640 59 HA CYS 8 HA CYS 8 -0.144 -1.226 -6.266 60 HB2 CYS 8 2HB CYS 8 1.542 0.512 -6.246 61 HB3 CYS 8 3HB CYS 8 0.330 1.744 -6.582 62 H GLY 9 H GLY 9 -1.995 1.313 -7.874 63 HA2 GLY 9 2HA GLY 9 -4.335 1.506 -7.821 64 HA3 GLY 9 3HA GLY 9 -4.369 0.444 -6.421 Start of MODEL 37 1 H1 CYS 1 H CYS 1 0.439 -5.581 -3.102 2 HA CYS 1 HA CYS 1 1.532 -3.866 -4.433 3 HB2 CYS 1 2HB CYS 1 0.620 -2.313 -2.195 4 HB3 CYS 1 3HB CYS 1 2.346 -2.053 -2.419 5 H ARG 2 H ARG 2 3.942 -2.731 -3.709 6 HA ARG 2 HA ARG 2 5.343 -5.098 -2.940 7 HB2 ARG 2 3HB ARG 2 6.122 -4.424 -0.891 8 HB3 ARG 2 2HB ARG 2 6.441 -2.795 -1.454 9 HG2 ARG 2 3HG ARG 2 4.112 -2.141 -1.133 10 HG3 ARG 2 2HG ARG 2 3.627 -3.799 -0.835 11 HD2 ARG 2 3HD ARG 2 5.727 -3.242 1.029 12 HD3 ARG 2 2HD ARG 2 4.675 -1.840 1.049 13 HE ARG 2 HE ARG 2 3.329 -4.476 1.187 14 HH11 ARG 2 1HH1 ARG 2 2.136 -3.790 4.394 15 HH12 ARG 2 2HH1 ARG 2 2.051 -4.867 3.040 16 HH21 ARG 2 1HH2 ARG 2 3.549 -1.950 4.325 17 HH22 ARG 2 2HH2 ARG 2 4.518 -1.654 2.920 18 HA PRO 3 HA PRO 3 8.201 -1.745 -4.707 19 HB2 PRO 3 3HB PRO 3 8.233 0.269 -3.592 20 HB3 PRO 3 2HB PRO 3 7.330 0.831 -4.985 21 HG2 PRO 3 3HG PRO 3 6.331 0.723 -2.368 22 HG3 PRO 3 2HG PRO 3 5.346 0.868 -3.811 23 HD2 PRO 3 3HD PRO 3 5.555 -1.412 -2.013 24 HD3 PRO 3 2HD PRO 3 4.486 -1.222 -3.389 25 H LEU 4 H LEU 4 6.682 -3.434 -6.091 26 HA LEU 4 HA LEU 4 5.976 -3.886 -8.132 27 HB2 LEU 4 3HB LEU 4 7.286 -3.158 -9.778 28 HB3 LEU 4 2HB LEU 4 6.924 -1.471 -9.472 29 HG LEU 4 HG LEU 4 8.576 -1.430 -7.648 30 HD11 LEU 4 1HD2 LEU 4 8.366 -4.267 -7.832 31 HD12 LEU 4 2HD2 LEU 4 9.273 -3.285 -6.657 32 HD13 LEU 4 3HD2 LEU 4 10.052 -3.808 -8.170 33 HD21 LEU 4 1HD1 LEU 4 9.214 -0.833 -9.959 34 HD22 LEU 4 2HD1 LEU 4 9.745 -2.510 -10.226 35 HD23 LEU 4 3HD1 LEU 4 10.569 -1.498 -9.016 36 H TRP 5 H TRP 5 3.874 -3.864 -8.703 37 HA TRP 5 HA TRP 5 2.215 -1.698 -7.963 38 HB2 TRP 5 3HB TRP 5 1.746 -4.181 -9.614 39 HB3 TRP 5 2HB TRP 5 1.373 -3.936 -7.920 40 HD1 TRP 5 HD1 TRP 5 -0.497 -4.192 -10.940 41 HE1 TRP 5 HE1 TRP 5 -2.778 -2.867 -10.994 42 HE3 TRP 5 HE3 TRP 5 0.567 -1.159 -7.000 43 HZ2 TRP 5 HZ2 TRP 5 -3.858 -0.747 -9.419 44 HZ3 TRP 5 HZ3 TRP 5 -1.156 0.511 -6.322 45 HH2 TRP 5 HH2 TRP 5 -3.305 0.745 -7.462 46 H THR 6 H THR 6 4.499 -2.013 -10.402 47 HA THR 6 HA THR 6 3.293 -1.179 -12.723 48 HB THR 6 HB THR 6 6.011 -0.318 -11.603 49 HG1 THR 6 HG1 THR 6 5.070 -2.658 -13.108 50 HG21 THR 6 1HG2 THR 6 6.359 -1.032 -14.233 51 HG22 THR 6 2HG2 THR 6 6.079 0.647 -13.712 52 HG23 THR 6 3HG2 THR 6 4.722 -0.338 -14.309 53 H ALA 7 H ALA 7 4.197 0.767 -9.847 54 HA ALA 7 HA ALA 7 2.283 2.736 -10.582 55 HB1 ALA 7 1HB ALA 7 4.809 4.161 -10.357 56 HB2 ALA 7 2HB ALA 7 3.565 4.261 -11.626 57 HB3 ALA 7 3HB ALA 7 4.844 3.028 -11.729 58 H CYS 8 H CYS 8 2.954 0.902 -8.461 59 HA CYS 8 HA CYS 8 2.378 2.382 -6.218 60 HB2 CYS 8 2HB CYS 8 2.502 -0.223 -6.645 61 HB3 CYS 8 3HB CYS 8 4.091 -0.048 -5.906 62 H GLY 9 H GLY 9 5.488 1.782 -7.689 63 HA2 GLY 9 2HA GLY 9 6.967 2.823 -5.423 64 HA3 GLY 9 3HA GLY 9 7.638 2.312 -6.965 Start of MODEL 38 1 H1 CYS 1 H CYS 1 4.404 -0.361 1.613 2 HA CYS 1 HA CYS 1 3.217 -0.622 -0.319 3 HB2 CYS 1 2HB CYS 1 4.740 1.541 -0.591 4 HB3 CYS 1 3HB CYS 1 5.454 0.580 -1.882 5 H ARG 2 H ARG 2 3.024 -1.760 -2.438 6 HA ARG 2 HA ARG 2 4.433 -4.143 -2.346 7 HB2 ARG 2 3HB ARG 2 5.251 -3.314 -4.957 8 HB3 ARG 2 2HB ARG 2 5.713 -2.009 -3.882 9 HG2 ARG 2 3HG ARG 2 6.399 -4.420 -2.516 10 HG3 ARG 2 2HG ARG 2 6.912 -4.650 -4.176 11 HD2 ARG 2 3HD ARG 2 7.714 -2.391 -2.290 12 HD3 ARG 2 2HD ARG 2 8.759 -3.611 -2.991 13 HE ARG 2 HE ARG 2 7.744 -2.413 -5.234 14 HH11 ARG 2 1HH1 ARG 2 9.462 0.622 -5.378 15 HH12 ARG 2 2HH1 ARG 2 8.574 -0.559 -6.282 16 HH21 ARG 2 1HH2 ARG 2 9.810 0.320 -3.103 17 HH22 ARG 2 2HH2 ARG 2 9.181 -1.085 -2.309 18 HA PRO 3 HA PRO 3 1.241 -5.180 -5.142 19 HB2 PRO 3 3HB PRO 3 1.763 -7.422 -5.159 20 HB3 PRO 3 2HB PRO 3 2.278 -7.088 -6.800 21 HG2 PRO 3 3HG PRO 3 3.977 -7.899 -4.724 22 HG3 PRO 3 2HG PRO 3 4.508 -7.162 -6.223 23 HD2 PRO 3 3HD PRO 3 4.577 -6.017 -3.548 24 HD3 PRO 3 2HD PRO 3 5.213 -5.329 -5.029 25 H LEU 4 H LEU 4 1.770 -2.778 -5.832 26 HA LEU 4 HA LEU 4 1.784 -1.325 -7.493 27 HB2 LEU 4 3HB LEU 4 0.952 -2.376 -9.778 28 HB3 LEU 4 2HB LEU 4 0.535 -3.727 -8.744 29 HG LEU 4 HG LEU 4 -0.390 -0.906 -8.171 30 HD11 LEU 4 1HD2 LEU 4 -1.478 -2.923 -10.089 31 HD12 LEU 4 2HD2 LEU 4 -1.429 -1.147 -10.193 32 HD13 LEU 4 3HD2 LEU 4 -2.621 -1.944 -9.138 33 HD21 LEU 4 1HD1 LEU 4 -1.046 -1.853 -6.267 34 HD22 LEU 4 2HD1 LEU 4 -0.687 -3.491 -6.864 35 HD23 LEU 4 3HD1 LEU 4 -2.257 -2.735 -7.229 36 H TRP 5 H TRP 5 4.208 -2.995 -6.863 37 HA TRP 5 HA TRP 5 5.525 -3.443 -9.350 38 HB2 TRP 5 3HB TRP 5 7.183 -3.111 -6.951 39 HB3 TRP 5 2HB TRP 5 5.886 -4.274 -6.759 40 HD1 TRP 5 HD1 TRP 5 5.914 -6.387 -8.622 41 HE1 TRP 5 HE1 TRP 5 7.897 -7.657 -9.815 42 HE3 TRP 5 HE3 TRP 5 9.400 -2.771 -7.833 43 HZ2 TRP 5 HZ2 TRP 5 10.639 -7.020 -10.284 44 HZ3 TRP 5 HZ3 TRP 5 11.706 -3.173 -8.691 45 HH2 TRP 5 HH2 TRP 5 12.348 -5.210 -9.880 46 H THR 6 H THR 6 4.263 -0.764 -8.916 47 HA THR 6 HA THR 6 6.045 0.874 -10.118 48 HB THR 6 HB THR 6 6.692 0.482 -7.251 49 HG1 THR 6 HG1 THR 6 7.788 1.759 -9.655 50 HG21 THR 6 1HG2 THR 6 6.264 3.268 -8.425 51 HG22 THR 6 2HG2 THR 6 7.471 2.961 -7.153 52 HG23 THR 6 3HG2 THR 6 5.746 2.662 -6.833 53 H ALA 7 H ALA 7 3.393 0.372 -7.869 54 HA ALA 7 HA ALA 7 1.364 1.307 -7.909 55 HB1 ALA 7 1HB ALA 7 2.125 3.583 -9.695 56 HB2 ALA 7 2HB ALA 7 0.665 2.564 -9.701 57 HB3 ALA 7 3HB ALA 7 2.185 1.946 -10.391 58 H CYS 8 H CYS 8 1.235 2.007 -5.897 59 HA CYS 8 HA CYS 8 1.091 3.482 -4.161 60 HB2 CYS 8 2HB CYS 8 3.877 4.337 -4.922 61 HB3 CYS 8 3HB CYS 8 3.168 4.232 -3.314 62 H GLY 9 H GLY 9 -0.412 4.999 -4.694 63 HA2 GLY 9 2HA GLY 9 -0.677 7.418 -4.691 64 HA3 GLY 9 3HA GLY 9 0.642 7.502 -5.850 Start of MODEL 39 1 H1 CYS 1 H CYS 1 4.151 -1.240 -5.318 2 HA CYS 1 HA CYS 1 5.365 0.072 -3.024 3 HB2 CYS 1 2HB CYS 1 2.362 0.071 -3.280 4 HB3 CYS 1 3HB CYS 1 3.354 0.923 -2.100 5 H ARG 2 H ARG 2 5.089 -2.734 -4.293 6 HA ARG 2 HA ARG 2 3.371 -4.211 -2.740 7 HB2 ARG 2 3HB ARG 2 5.861 -5.072 -1.548 8 HB3 ARG 2 2HB ARG 2 5.724 -3.344 -1.294 9 HG2 ARG 2 3HG ARG 2 3.180 -4.044 -0.654 10 HG3 ARG 2 2HG ARG 2 3.968 -5.562 -0.273 11 HD2 ARG 2 3HD ARG 2 4.329 -4.544 1.764 12 HD3 ARG 2 2HD ARG 2 5.720 -3.864 0.943 13 HE ARG 2 HE ARG 2 3.241 -2.305 0.628 14 HH11 ARG 2 1HH1 ARG 2 4.463 0.293 2.611 15 HH12 ARG 2 2HH1 ARG 2 3.218 -0.198 1.513 16 HH21 ARG 2 1HH2 ARG 2 6.156 -1.188 3.184 17 HH22 ARG 2 2HH2 ARG 2 6.173 -2.785 2.514 18 HA PRO 3 HA PRO 3 6.685 -6.888 -4.839 19 HB2 PRO 3 3HB PRO 3 8.854 -6.585 -4.127 20 HB3 PRO 3 2HB PRO 3 9.042 -5.788 -5.677 21 HG2 PRO 3 3HG PRO 3 9.280 -4.523 -3.187 22 HG3 PRO 3 2HG PRO 3 9.043 -3.694 -4.713 23 HD2 PRO 3 3HD PRO 3 7.164 -3.940 -2.504 24 HD3 PRO 3 2HD PRO 3 6.972 -3.016 -3.981 25 H LEU 4 H LEU 4 6.402 -3.655 -6.070 26 HA LEU 4 HA LEU 4 5.355 -4.755 -8.510 27 HB2 LEU 4 3HB LEU 4 7.097 -4.515 -9.829 28 HB3 LEU 4 2HB LEU 4 7.267 -2.834 -9.364 29 HG LEU 4 HG LEU 4 8.453 -4.007 -7.232 30 HD11 LEU 4 1HD2 LEU 4 8.785 -6.183 -7.567 31 HD12 LEU 4 2HD2 LEU 4 9.978 -5.714 -8.802 32 HD13 LEU 4 3HD2 LEU 4 8.301 -6.076 -9.277 33 HD21 LEU 4 1HD1 LEU 4 10.372 -3.049 -7.995 34 HD22 LEU 4 2HD1 LEU 4 9.215 -2.284 -9.110 35 HD23 LEU 4 3HD1 LEU 4 10.174 -3.685 -9.646 36 H TRP 5 H TRP 5 3.701 -3.484 -9.215 37 HA TRP 5 HA TRP 5 2.672 -1.476 -7.707 38 HB2 TRP 5 3HB TRP 5 1.732 -0.759 -10.109 39 HB3 TRP 5 2HB TRP 5 2.373 -2.333 -10.538 40 HD1 TRP 5 HD1 TRP 5 1.144 -4.498 -9.403 41 HE1 TRP 5 HE1 TRP 5 -1.210 -4.905 -8.282 42 HE3 TRP 5 HE3 TRP 5 0.058 0.415 -8.672 43 HZ2 TRP 5 HZ2 TRP 5 -3.217 -3.165 -7.238 44 HZ3 TRP 5 HZ3 TRP 5 -2.120 0.975 -7.596 45 HH2 TRP 5 HH2 TRP 5 -3.731 -0.721 -6.887 46 H THR 6 H THR 6 5.353 -1.416 -10.027 47 HA THR 6 HA THR 6 6.479 0.329 -10.951 48 HB THR 6 HB THR 6 7.537 -0.264 -8.748 49 HG1 THR 6 HG1 THR 6 7.377 2.616 -9.274 50 HG21 THR 6 1HG2 THR 6 7.174 1.155 -6.799 51 HG22 THR 6 2HG2 THR 6 5.576 0.554 -7.302 52 HG23 THR 6 3HG2 THR 6 6.073 2.214 -7.712 53 H ALA 7 H ALA 7 3.751 0.847 -11.305 54 HA ALA 7 HA ALA 7 2.416 2.515 -11.876 55 HB1 ALA 7 1HB ALA 7 3.420 4.349 -12.784 56 HB2 ALA 7 2HB ALA 7 4.916 3.449 -12.440 57 HB3 ALA 7 3HB ALA 7 4.350 4.700 -11.308 58 H CYS 8 H CYS 8 1.555 1.737 -9.742 59 HA CYS 8 HA CYS 8 0.499 2.151 -7.771 60 HB2 CYS 8 2HB CYS 8 3.131 2.906 -7.351 61 HB3 CYS 8 3HB CYS 8 2.215 4.311 -6.816 62 H GLY 9 H GLY 9 -1.381 3.179 -7.704 63 HA2 GLY 9 2HA GLY 9 -2.698 5.125 -7.346 64 HA3 GLY 9 3HA GLY 9 -1.430 6.087 -8.091 Start of MODEL 40 1 H1 CYS 1 H CYS 1 6.483 0.851 0.704 2 HA CYS 1 HA CYS 1 4.150 0.068 -0.170 3 HB2 CYS 1 2HB CYS 1 6.274 1.607 -1.433 4 HB3 CYS 1 3HB CYS 1 5.225 0.836 -2.618 5 H ARG 2 H ARG 2 3.526 -0.766 -2.594 6 HA ARG 2 HA ARG 2 4.254 -3.476 -2.507 7 HB2 ARG 2 3HB ARG 2 4.919 -2.863 -5.222 8 HB3 ARG 2 2HB ARG 2 5.812 -1.716 -4.243 9 HG2 ARG 2 3HG ARG 2 6.043 -4.241 -2.918 10 HG3 ARG 2 2HG ARG 2 6.303 -4.559 -4.622 11 HD2 ARG 2 3HD ARG 2 8.408 -3.732 -4.430 12 HD3 ARG 2 2HD ARG 2 7.737 -2.155 -4.063 13 HE ARG 2 HE ARG 2 7.696 -3.878 -1.725 14 HH11 ARG 2 1HH1 ARG 2 10.525 -2.434 -0.280 15 HH12 ARG 2 2HH1 ARG 2 9.147 -3.448 -0.013 16 HH21 ARG 2 1HH2 ARG 2 10.899 -1.512 -2.376 17 HH22 ARG 2 2HH2 ARG 2 9.799 -1.837 -3.674 18 HA PRO 3 HA PRO 3 0.612 -3.731 -4.913 19 HB2 PRO 3 3HB PRO 3 0.635 -6.031 -5.026 20 HB3 PRO 3 2HB PRO 3 1.001 -5.747 -6.716 21 HG2 PRO 3 3HG PRO 3 2.732 -6.981 -4.890 22 HG3 PRO 3 2HG PRO 3 3.218 -6.313 -6.436 23 HD2 PRO 3 3HD PRO 3 3.863 -5.316 -3.779 24 HD3 PRO 3 2HD PRO 3 4.442 -4.719 -5.321 25 H LEU 4 H LEU 4 1.824 -1.501 -5.653 26 HA LEU 4 HA LEU 4 2.116 -0.068 -7.316 27 HB2 LEU 4 3HB LEU 4 0.367 -0.344 -9.205 28 HB3 LEU 4 2HB LEU 4 -0.253 -1.667 -8.238 29 HG LEU 4 HG LEU 4 0.148 1.002 -6.932 30 HD11 LEU 4 1HD2 LEU 4 -2.363 1.366 -7.640 31 HD12 LEU 4 2HD2 LEU 4 -1.885 0.368 -9.034 32 HD13 LEU 4 3HD2 LEU 4 -1.024 1.887 -8.691 33 HD21 LEU 4 1HD1 LEU 4 -2.025 -1.077 -6.580 34 HD22 LEU 4 2HD1 LEU 4 -1.654 0.305 -5.522 35 HD23 LEU 4 3HD1 LEU 4 -0.505 -1.048 -5.654 36 H TRP 5 H TRP 5 3.802 -2.490 -7.308 37 HA TRP 5 HA TRP 5 4.072 -3.529 -9.888 38 HB2 TRP 5 3HB TRP 5 6.285 -3.212 -7.864 39 HB3 TRP 5 2HB TRP 5 5.008 -4.399 -7.688 40 HD1 TRP 5 HD1 TRP 5 4.846 -6.191 -9.950 41 HE1 TRP 5 HE1 TRP 5 6.772 -7.386 -11.302 42 HE3 TRP 5 HE3 TRP 5 8.532 -2.978 -8.557 43 HZ2 TRP 5 HZ2 TRP 5 9.558 -6.864 -11.630 44 HZ3 TRP 5 HZ3 TRP 5 10.827 -3.392 -9.438 45 HH2 TRP 5 HH2 TRP 5 11.368 -5.256 -10.924 46 H THR 6 H THR 6 4.299 -0.354 -8.849 47 HA THR 6 HA THR 6 5.278 0.644 -11.221 48 HB THR 6 HB THR 6 7.566 1.426 -9.826 49 HG1 THR 6 HG1 THR 6 7.010 -0.220 -8.208 50 HG21 THR 6 1HG2 THR 6 6.922 -0.290 -12.089 51 HG22 THR 6 2HG2 THR 6 8.216 -1.043 -11.127 52 HG23 THR 6 3HG2 THR 6 8.429 0.602 -11.774 53 H ALA 7 H ALA 7 3.185 1.057 -9.284 54 HA ALA 7 HA ALA 7 2.064 2.823 -8.533 55 HB1 ALA 7 1HB ALA 7 2.642 4.986 -9.186 56 HB2 ALA 7 2HB ALA 7 3.512 4.007 -10.391 57 HB3 ALA 7 3HB ALA 7 4.387 4.688 -8.999 58 H CYS 8 H CYS 8 2.115 1.913 -6.506 59 HA CYS 8 HA CYS 8 4.213 2.037 -4.659 60 HB2 CYS 8 2HB CYS 8 3.637 4.522 -4.931 61 HB3 CYS 8 3HB CYS 8 2.142 4.148 -4.079 62 H GLY 9 H GLY 9 0.683 2.583 -4.682 63 HA2 GLY 9 2HA GLY 9 -0.146 0.092 -3.902 64 HA3 GLY 9 3HA GLY 9 0.275 0.897 -2.397
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