NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
9563 | 1o8z | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 6 H1 SER 6 -6.451 -2.620 -9.318 2 H2 SER 6 H2 SER 6 -6.286 -1.920 -7.782 3 H3 SER 6 H3 SER 6 -6.468 -0.930 -9.150 4 HA SER 6 HA SER 6 -4.319 -1.374 -9.928 5 1HB SER 6 1HB SER 6 -3.150 -1.261 -7.448 6 2HB SER 6 2HB SER 6 -3.885 0.122 -8.258 7 HG SER 6 HG SER 6 -4.878 -1.489 -6.201 8 H ILE 7 H ILE 7 -5.349 -3.972 -10.027 9 HA ILE 7 HA ILE 7 -2.977 -5.544 -9.239 10 HB ILE 7 HB ILE 7 -4.309 -5.593 -7.215 11 1HG1 ILE 7 1HG1 ILE 7 -4.728 -8.119 -8.843 12 2HG1 ILE 7 2HG1 ILE 7 -3.308 -7.737 -7.869 13 1HG2 ILE 7 1HG2 ILE 7 -6.433 -4.928 -8.515 14 2HG2 ILE 7 2HG2 ILE 7 -6.636 -6.653 -8.826 15 3HG2 ILE 7 3HG2 ILE 7 -6.640 -6.049 -7.169 16 1HD1 ILE 7 1HD1 ILE 7 -4.750 -7.637 -5.847 17 2HD1 ILE 7 2HD1 ILE 7 -6.140 -8.085 -6.836 18 3HD1 ILE 7 3HD1 ILE 7 -4.809 -9.222 -6.617 19 HA PRO 8 HA PRO 8 -1.692 -6.085 -10.666 20 1HB PRO 8 1HB PRO 8 -1.456 -5.130 -13.370 21 2HB PRO 8 2HB PRO 8 -0.715 -6.564 -12.654 22 1HG PRO 8 1HG PRO 8 -2.870 -6.451 -14.550 23 2HG PRO 8 2HG PRO 8 -2.130 -7.884 -13.832 24 1HD PRO 8 1HD PRO 8 -4.744 -6.779 -13.294 25 2HD PRO 8 2HD PRO 8 -4.000 -8.226 -12.573 26 HA PRO 9 HA PRO 9 -2.431 -1.801 -9.927 27 1HB PRO 9 1HB PRO 9 0.266 -1.021 -10.556 28 2HB PRO 9 2HB PRO 9 -0.450 -1.276 -8.962 29 1HG PRO 9 1HG PRO 9 1.464 -2.931 -10.322 30 2HG PRO 9 2HG PRO 9 0.749 -3.185 -8.729 31 1HD PRO 9 1HD PRO 9 0.226 -4.652 -11.160 32 2HD PRO 9 2HD PRO 9 -0.496 -4.908 -9.554 33 H ILE 10 H ILE 10 -2.683 0.211 -11.104 34 HA ILE 10 HA ILE 10 -2.240 -0.052 -14.060 35 HB ILE 10 HB ILE 10 -4.281 1.594 -12.532 36 1HG1 ILE 10 1HG1 ILE 10 -4.746 -0.717 -12.059 37 2HG1 ILE 10 2HG1 ILE 10 -5.864 -0.226 -13.332 38 1HG2 ILE 10 1HG2 ILE 10 -3.587 2.175 -14.955 39 2HG2 ILE 10 2HG2 ILE 10 -4.395 0.673 -15.404 40 3HG2 ILE 10 3HG2 ILE 10 -5.308 1.969 -14.631 41 1HD1 ILE 10 1HD1 ILE 10 -3.684 -1.060 -14.785 42 2HD1 ILE 10 2HD1 ILE 10 -3.657 -2.176 -13.419 43 3HD1 ILE 10 3HD1 ILE 10 -5.095 -2.059 -14.434 44 H CYS 11 H CYS 11 -1.144 1.620 -15.091 45 HA CYS 11 HA CYS 11 -0.028 3.767 -13.339 46 1HB CYS 11 1HB CYS 11 0.764 2.445 -15.938 47 2HB CYS 11 2HB CYS 11 1.525 3.944 -15.407 48 H PHE 12 H PHE 12 -0.026 5.974 -14.155 49 HA PHE 12 HA PHE 12 -2.146 6.495 -16.216 50 1HB PHE 12 1HB PHE 12 -1.344 8.167 -13.813 51 2HB PHE 12 2HB PHE 12 -2.726 8.446 -14.873 52 HD1 PHE 12 HD1 PHE 12 -3.793 5.738 -15.262 53 HD2 PHE 12 HD2 PHE 12 -2.247 7.602 -11.714 54 HE1 PHE 12 HE1 PHE 12 -5.170 4.221 -13.865 55 HE2 PHE 12 HE2 PHE 12 -3.624 6.084 -10.317 56 HZ PHE 12 HZ PHE 12 -5.086 4.394 -11.392 57 HA PRO 13 HA PRO 13 0.756 8.793 -18.584 58 1HB PRO 13 1HB PRO 13 -0.966 11.069 -18.940 59 2HB PRO 13 2HB PRO 13 -0.665 9.746 -20.069 60 1HG PRO 13 1HG PRO 13 -3.046 10.259 -18.545 61 2HG PRO 13 2HG PRO 13 -2.744 8.936 -19.674 62 1HD PRO 13 1HD PRO 13 -2.918 8.804 -16.794 63 2HD PRO 13 2HD PRO 13 -2.614 7.470 -17.932 64 H ASP 14 H ASP 14 -0.582 10.031 -15.669 65 HA ASP 14 HA ASP 14 0.812 12.566 -15.550 66 1HB ASP 14 1HB ASP 14 0.143 12.410 -13.161 67 2HB ASP 14 2HB ASP 14 -1.193 11.996 -14.235 68 H GLY 1 H GLY 1 1.977 9.416 -15.510 69 1HA GLY 1 1HA GLY 1 4.579 10.320 -14.477 70 2HA GLY 1 2HA GLY 1 4.247 8.757 -15.224 71 H ARG 2 H ARG 2 1.810 8.630 -13.310 72 HA ARG 2 HA ARG 2 3.370 7.712 -10.916 73 1HB ARG 2 1HB ARG 2 0.688 9.113 -11.131 74 2HB ARG 2 2HB ARG 2 1.323 8.437 -9.631 75 1HG ARG 2 1HG ARG 2 3.370 9.878 -9.943 76 2HG ARG 2 2HG ARG 2 2.552 10.647 -11.303 77 1HD ARG 2 1HD ARG 2 0.661 11.244 -9.743 78 2HD ARG 2 2HD ARG 2 1.647 10.632 -8.402 79 HE ARG 2 HE ARG 2 2.825 12.673 -10.231 80 1HH1 ARG 2 1HH1 ARG 2 0.748 13.601 -8.135 81 2HH1 ARG 2 2HH1 ARG 2 1.801 14.109 -6.857 82 1HH2 ARG 2 1HH2 ARG 2 4.586 12.504 -8.158 83 2HH2 ARG 2 2HH2 ARG 2 3.975 13.488 -6.870 84 H CYS 3 H CYS 3 2.787 5.676 -10.126 85 HA CYS 3 HA CYS 3 0.607 4.244 -11.613 86 1HB CYS 3 1HB CYS 3 3.279 3.345 -10.496 87 2HB CYS 3 2HB CYS 3 2.062 2.224 -11.107 88 H THR 4 H THR 4 -0.465 2.517 -10.310 89 HA THR 4 HA THR 4 -0.826 3.397 -7.492 90 HB THR 4 HB THR 4 -2.894 2.128 -7.668 91 HG1 THR 4 HG1 THR 4 -1.952 0.383 -8.853 92 1HG2 THR 4 1HG2 THR 4 -2.249 3.668 -10.195 93 2HG2 THR 4 2HG2 THR 4 -3.876 3.178 -9.724 94 3HG2 THR 4 3HG2 THR 4 -2.970 4.310 -8.720 95 H LYS 5 H LYS 5 -1.062 1.606 -5.839 96 HA LYS 5 HA LYS 5 0.671 -0.758 -6.470 97 1HB LYS 5 1HB LYS 5 1.895 1.045 -5.271 98 2HB LYS 5 2HB LYS 5 0.693 0.983 -3.982 99 1HG LYS 5 1HG LYS 5 1.265 -1.411 -3.605 100 2HG LYS 5 2HG LYS 5 2.518 -1.284 -4.840 101 1HD LYS 5 1HD LYS 5 3.605 0.519 -3.516 102 2HD LYS 5 2HD LYS 5 2.378 0.317 -2.266 103 1HE LYS 5 1HE LYS 5 3.305 -2.281 -2.695 104 2HE LYS 5 2HE LYS 5 4.771 -1.285 -2.767 105 1HZ LYS 5 1HZ LYS 5 3.823 -0.104 -0.752 106 2HZ LYS 5 2HZ LYS 5 2.728 -1.392 -0.617 107 3HZ LYS 5 3HZ LYS 5 4.397 -1.681 -0.488 No H/Q in entry = 107 Start of MODEL 2 1 H1 SER 6 H1 SER 6 -4.121 -1.954 -10.343 2 H2 SER 6 H2 SER 6 -5.496 -2.017 -9.351 3 H3 SER 6 H3 SER 6 -4.582 -0.588 -9.443 4 HA SER 6 HA SER 6 -2.854 -1.431 -8.167 5 1HB SER 6 1HB SER 6 -5.508 -2.608 -7.287 6 2HB SER 6 2HB SER 6 -4.102 -2.459 -6.234 7 HG SER 6 HG SER 6 -4.199 -0.141 -7.016 8 H ILE 7 H ILE 7 -4.709 -3.892 -9.808 9 HA ILE 7 HA ILE 7 -2.447 -5.700 -9.923 10 HB ILE 7 HB ILE 7 -3.091 -6.007 -7.579 11 1HG1 ILE 7 1HG1 ILE 7 -4.220 -8.502 -8.202 12 2HG1 ILE 7 2HG1 ILE 7 -3.221 -8.092 -9.596 13 1HG2 ILE 7 1HG2 ILE 7 -5.702 -5.628 -8.632 14 2HG2 ILE 7 2HG2 ILE 7 -5.662 -7.247 -7.935 15 3HG2 ILE 7 3HG2 ILE 7 -5.245 -5.849 -6.943 16 1HD1 ILE 7 1HD1 ILE 7 -1.794 -7.377 -7.214 17 2HD1 ILE 7 2HD1 ILE 7 -2.364 -9.037 -7.047 18 3HD1 ILE 7 3HD1 ILE 7 -1.363 -8.584 -8.425 19 HA PRO 8 HA PRO 8 -1.755 -6.005 -11.771 20 1HB PRO 8 1HB PRO 8 -2.363 -4.604 -14.210 21 2HB PRO 8 2HB PRO 8 -1.537 -6.152 -14.022 22 1HG PRO 8 1HG PRO 8 -4.185 -5.677 -15.026 23 2HG PRO 8 2HG PRO 8 -3.358 -7.225 -14.837 24 1HD PRO 8 1HD PRO 8 -5.552 -6.184 -13.274 25 2HD PRO 8 2HD PRO 8 -4.721 -7.746 -13.085 26 HA PRO 9 HA PRO 9 -1.976 -1.921 -10.104 27 1HB PRO 9 1HB PRO 9 0.541 -1.154 -11.267 28 2HB PRO 9 2HB PRO 9 0.219 -1.664 -9.607 29 1HG PRO 9 1HG PRO 9 1.592 -3.122 -11.667 30 2HG PRO 9 2HG PRO 9 1.267 -3.633 -10.009 31 1HD PRO 9 1HD PRO 9 0.040 -4.605 -12.436 32 2HD PRO 9 2HD PRO 9 -0.283 -5.123 -10.765 33 H ILE 10 H ILE 10 -2.769 0.054 -10.857 34 HA ILE 10 HA ILE 10 -2.984 0.383 -13.806 35 HB ILE 10 HB ILE 10 -4.289 1.833 -11.477 36 1HG1 ILE 10 1HG1 ILE 10 -5.353 -0.396 -13.241 37 2HG1 ILE 10 2HG1 ILE 10 -4.808 -0.603 -11.576 38 1HG2 ILE 10 1HG2 ILE 10 -4.574 1.949 -14.461 39 2HG2 ILE 10 2HG2 ILE 10 -6.001 2.206 -13.458 40 3HG2 ILE 10 3HG2 ILE 10 -4.599 3.263 -13.286 41 1HD1 ILE 10 1HD1 ILE 10 -6.518 1.393 -11.144 42 2HD1 ILE 10 2HD1 ILE 10 -7.255 0.768 -12.619 43 3HD1 ILE 10 3HD1 ILE 10 -7.072 -0.279 -11.211 44 H CYS 11 H CYS 11 -1.939 2.049 -14.874 45 HA CYS 11 HA CYS 11 -0.392 3.996 -13.192 46 1HB CYS 11 1HB CYS 11 0.204 2.567 -15.793 47 2HB CYS 11 2HB CYS 11 1.152 3.947 -15.241 48 H PHE 12 H PHE 12 -0.242 6.167 -14.050 49 HA PHE 12 HA PHE 12 -2.380 6.821 -16.052 50 1HB PHE 12 1HB PHE 12 -1.212 8.447 -13.768 51 2HB PHE 12 2HB PHE 12 -2.543 8.949 -14.811 52 HD1 PHE 12 HD1 PHE 12 -3.921 6.264 -15.076 53 HD2 PHE 12 HD2 PHE 12 -2.334 8.328 -11.660 54 HE1 PHE 12 HE1 PHE 12 -5.522 5.065 -13.609 55 HE2 PHE 12 HE2 PHE 12 -3.935 7.130 -10.193 56 HZ PHE 12 HZ PHE 12 -5.529 5.499 -11.167 57 HA PRO 13 HA PRO 13 0.567 8.649 -18.750 58 1HB PRO 13 1HB PRO 13 -0.829 11.150 -19.028 59 2HB PRO 13 2HB PRO 13 -0.835 9.771 -20.131 60 1HG PRO 13 1HG PRO 13 -2.957 10.669 -18.417 61 2HG PRO 13 2HG PRO 13 -2.963 9.289 -19.517 62 1HD PRO 13 1HD PRO 13 -2.875 9.255 -16.630 63 2HD PRO 13 2HD PRO 13 -2.885 7.863 -17.740 64 H ASP 14 H ASP 14 -0.268 10.112 -15.761 65 HA ASP 14 HA ASP 14 1.580 12.374 -15.908 66 1HB ASP 14 1HB ASP 14 0.959 12.551 -13.502 67 2HB ASP 14 2HB ASP 14 -0.460 12.374 -14.535 68 H GLY 1 H GLY 1 2.064 9.072 -15.653 69 1HA GLY 1 1HA GLY 1 4.813 9.471 -14.690 70 2HA GLY 1 2HA GLY 1 4.143 7.965 -15.318 71 H ARG 2 H ARG 2 1.777 8.212 -13.488 72 HA ARG 2 HA ARG 2 3.163 7.427 -10.944 73 1HB ARG 2 1HB ARG 2 0.520 8.860 -11.372 74 2HB ARG 2 2HB ARG 2 1.196 8.420 -9.803 75 1HG ARG 2 1HG ARG 2 3.197 9.814 -10.308 76 2HG ARG 2 2HG ARG 2 2.449 10.299 -11.830 77 1HD ARG 2 1HD ARG 2 0.482 11.168 -10.478 78 2HD ARG 2 2HD ARG 2 1.453 10.884 -9.021 79 HE ARG 2 HE ARG 2 1.813 13.092 -10.797 80 1HH1 ARG 2 1HH1 ARG 2 3.278 11.243 -8.386 81 2HH1 ARG 2 2HH1 ARG 2 4.875 11.864 -8.644 82 1HH2 ARG 2 1HH2 ARG 2 4.013 13.630 -11.501 83 2HH2 ARG 2 2HH2 ARG 2 5.290 13.215 -10.408 84 H CYS 3 H CYS 3 2.424 5.509 -10.001 85 HA CYS 3 HA CYS 3 0.166 4.104 -11.393 86 1HB CYS 3 1HB CYS 3 2.810 3.056 -10.329 87 2HB CYS 3 2HB CYS 3 1.520 2.033 -10.962 88 H THR 4 H THR 4 -0.963 2.527 -9.983 89 HA THR 4 HA THR 4 -1.140 3.511 -7.190 90 HB THR 4 HB THR 4 -3.207 2.102 -7.232 91 HG1 THR 4 HG1 THR 4 -2.624 0.501 -8.629 92 1HG2 THR 4 1HG2 THR 4 -2.598 4.300 -9.102 93 2HG2 THR 4 2HG2 THR 4 -4.037 3.366 -9.509 94 3HG2 THR 4 3HG2 THR 4 -3.909 4.147 -7.933 95 H LYS 5 H LYS 5 -1.227 1.891 -5.415 96 HA LYS 5 HA LYS 5 -0.005 -0.753 -5.975 97 1HB LYS 5 1HB LYS 5 1.874 0.815 -5.754 98 2HB LYS 5 2HB LYS 5 1.228 1.394 -4.217 99 1HG LYS 5 1HG LYS 5 1.477 -0.871 -3.262 100 2HG LYS 5 2HG LYS 5 2.127 -1.446 -4.797 101 1HD LYS 5 1HD LYS 5 3.964 0.241 -4.595 102 2HD LYS 5 2HD LYS 5 3.345 0.674 -3.002 103 1HE LYS 5 1HE LYS 5 3.522 -2.069 -2.801 104 2HE LYS 5 2HE LYS 5 4.925 -1.679 -3.815 105 1HZ LYS 5 1HZ LYS 5 5.054 0.307 -2.081 106 2HZ LYS 5 2HZ LYS 5 4.310 -0.842 -1.080 107 3HZ LYS 5 3HZ LYS 5 5.814 -1.185 -1.792 No H/Q in entry = 107 Start of MODEL 3 1 H1 SER 6 H1 SER 6 -5.322 -3.027 -7.373 2 H2 SER 6 H2 SER 6 -5.459 -1.338 -7.435 3 H3 SER 6 H3 SER 6 -6.084 -2.287 -8.698 4 HA SER 6 HA SER 6 -4.116 -1.592 -9.645 5 1HB SER 6 1HB SER 6 -2.456 -2.015 -7.231 6 2HB SER 6 2HB SER 6 -2.488 -0.648 -8.345 7 HG SER 6 HG SER 6 -3.430 -0.592 -6.002 8 H ILE 7 H ILE 7 -5.147 -4.144 -9.768 9 HA ILE 7 HA ILE 7 -2.673 -5.797 -9.847 10 HB ILE 7 HB ILE 7 -4.014 -7.642 -8.730 11 1HG1 ILE 7 1HG1 ILE 7 -5.824 -5.831 -7.379 12 2HG1 ILE 7 2HG1 ILE 7 -6.102 -5.786 -9.121 13 1HG2 ILE 7 1HG2 ILE 7 -3.518 -5.075 -7.192 14 2HG2 ILE 7 2HG2 ILE 7 -3.774 -6.653 -6.447 15 3HG2 ILE 7 3HG2 ILE 7 -2.358 -6.376 -7.461 16 1HD1 ILE 7 1HD1 ILE 7 -5.823 -8.396 -7.622 17 2HD1 ILE 7 2HD1 ILE 7 -7.379 -7.580 -7.787 18 3HD1 ILE 7 3HD1 ILE 7 -6.511 -8.124 -9.223 19 HA PRO 8 HA PRO 8 -1.658 -6.051 -11.541 20 1HB PRO 8 1HB PRO 8 -1.821 -4.586 -14.012 21 2HB PRO 8 2HB PRO 8 -1.032 -6.137 -13.717 22 1HG PRO 8 1HG PRO 8 -3.452 -5.640 -15.178 23 2HG PRO 8 2HG PRO 8 -2.669 -7.192 -14.875 24 1HD PRO 8 1HD PRO 8 -5.116 -6.184 -13.716 25 2HD PRO 8 2HD PRO 8 -4.333 -7.754 -13.423 26 HA PRO 9 HA PRO 9 -2.005 -1.963 -9.941 27 1HB PRO 9 1HB PRO 9 0.468 -1.029 -11.075 28 2HB PRO 9 2HB PRO 9 0.168 -1.583 -9.426 29 1HG PRO 9 1HG PRO 9 1.635 -2.925 -11.500 30 2HG PRO 9 2HG PRO 9 1.333 -3.481 -9.851 31 1HD PRO 9 1HD PRO 9 0.179 -4.484 -12.301 32 2HD PRO 9 2HD PRO 9 -0.122 -5.047 -10.641 33 H ILE 10 H ILE 10 -2.381 0.273 -10.635 34 HA ILE 10 HA ILE 10 -2.845 0.510 -13.588 35 HB ILE 10 HB ILE 10 -4.133 1.932 -11.233 36 1HG1 ILE 10 1HG1 ILE 10 -5.168 -0.331 -12.971 37 2HG1 ILE 10 2HG1 ILE 10 -4.623 -0.502 -11.302 38 1HG2 ILE 10 1HG2 ILE 10 -4.469 2.046 -14.211 39 2HG2 ILE 10 2HG2 ILE 10 -5.888 2.266 -13.187 40 3HG2 ILE 10 3HG2 ILE 10 -4.511 3.356 -13.031 41 1HD1 ILE 10 1HD1 ILE 10 -6.676 1.589 -11.853 42 2HD1 ILE 10 2HD1 ILE 10 -7.203 -0.092 -11.919 43 3HD1 ILE 10 3HD1 ILE 10 -6.483 0.548 -10.442 44 H CYS 11 H CYS 11 -1.843 2.195 -14.664 45 HA CYS 11 HA CYS 11 -0.390 4.230 -13.000 46 1HB CYS 11 1HB CYS 11 0.424 2.677 -15.470 47 2HB CYS 11 2HB CYS 11 1.307 4.096 -14.909 48 H PHE 12 H PHE 12 -0.315 6.357 -13.913 49 HA PHE 12 HA PHE 12 -2.330 6.832 -16.078 50 1HB PHE 12 1HB PHE 12 -1.341 8.339 -13.667 51 2HB PHE 12 2HB PHE 12 -2.121 9.211 -14.986 52 HD1 PHE 12 HD1 PHE 12 -2.578 6.382 -12.595 53 HD2 PHE 12 HD2 PHE 12 -4.477 9.181 -15.243 54 HE1 PHE 12 HE1 PHE 12 -4.799 5.680 -11.745 55 HE2 PHE 12 HE2 PHE 12 -6.698 8.478 -14.393 56 HZ PHE 12 HZ PHE 12 -6.860 6.728 -12.644 57 HA PRO 13 HA PRO 13 0.653 8.460 -18.858 58 1HB PRO 13 1HB PRO 13 -0.656 10.989 -19.270 59 2HB PRO 13 2HB PRO 13 -0.710 9.556 -20.298 60 1HG PRO 13 1HG PRO 13 -2.800 10.614 -18.636 61 2HG PRO 13 2HG PRO 13 -2.853 9.179 -19.664 62 1HD PRO 13 1HD PRO 13 -2.766 9.290 -16.780 63 2HD PRO 13 2HD PRO 13 -2.822 7.845 -17.816 64 H ASP 14 H ASP 14 -0.216 10.228 -16.010 65 HA ASP 14 HA ASP 14 1.825 12.312 -16.280 66 1HB ASP 14 1HB ASP 14 1.072 12.820 -13.961 67 2HB ASP 14 2HB ASP 14 -0.291 12.639 -15.066 68 H GLY 1 H GLY 1 2.154 9.085 -15.856 69 1HA GLY 1 1HA GLY 1 4.775 9.377 -14.582 70 2HA GLY 1 2HA GLY 1 4.093 7.880 -15.216 71 H ARG 2 H ARG 2 1.568 8.652 -13.567 72 HA ARG 2 HA ARG 2 2.588 8.076 -10.827 73 1HB ARG 2 1HB ARG 2 0.945 9.946 -11.465 74 2HB ARG 2 2HB ARG 2 -0.240 8.666 -11.726 75 1HG ARG 2 1HG ARG 2 -0.528 9.437 -9.463 76 2HG ARG 2 2HG ARG 2 0.265 7.863 -9.373 77 1HD ARG 2 1HD ARG 2 2.461 8.975 -9.121 78 2HD ARG 2 2HD ARG 2 1.666 10.558 -9.214 79 HE ARG 2 HE ARG 2 0.669 8.647 -7.169 80 1HH1 ARG 2 1HH1 ARG 2 2.952 11.103 -7.852 81 2HH1 ARG 2 2HH1 ARG 2 2.754 11.912 -6.333 82 1HH2 ARG 2 1HH2 ARG 2 0.184 9.842 -5.266 83 2HH2 ARG 2 2HH2 ARG 2 1.187 11.198 -4.869 84 H CYS 3 H CYS 3 2.278 6.071 -9.903 85 HA CYS 3 HA CYS 3 0.475 4.141 -11.330 86 1HB CYS 3 1HB CYS 3 3.267 3.884 -10.209 87 2HB CYS 3 2HB CYS 3 2.261 2.462 -10.482 88 H THR 4 H THR 4 -0.460 2.488 -9.904 89 HA THR 4 HA THR 4 -0.645 3.406 -7.055 90 HB THR 4 HB THR 4 -2.905 2.487 -7.140 91 HG1 THR 4 HG1 THR 4 -3.352 1.005 -8.534 92 1HG2 THR 4 1HG2 THR 4 -2.174 4.142 -9.568 93 2HG2 THR 4 2HG2 THR 4 -3.833 3.857 -9.038 94 3HG2 THR 4 3HG2 THR 4 -2.713 4.737 -7.998 95 H LYS 5 H LYS 5 -1.076 1.569 -5.492 96 HA LYS 5 HA LYS 5 -0.148 -1.106 -6.364 97 1HB LYS 5 1HB LYS 5 1.284 0.672 -4.366 98 2HB LYS 5 2HB LYS 5 1.651 -1.036 -4.609 99 1HG LYS 5 1HG LYS 5 2.074 -0.528 -7.036 100 2HG LYS 5 2HG LYS 5 1.880 1.185 -6.661 101 1HD LYS 5 1HD LYS 5 3.715 0.963 -4.966 102 2HD LYS 5 2HD LYS 5 3.961 -0.697 -5.508 103 1HE LYS 5 1HE LYS 5 3.983 1.540 -7.527 104 2HE LYS 5 2HE LYS 5 5.434 1.196 -6.569 105 1HZ LYS 5 1HZ LYS 5 4.852 -1.249 -7.174 106 2HZ LYS 5 2HZ LYS 5 3.994 -0.546 -8.461 107 3HZ LYS 5 3HZ LYS 5 5.663 -0.282 -8.312 No H/Q in entry = 107 Start of MODEL 4 1 H1 SER 6 H1 SER 6 -5.016 -2.156 -10.365 2 H2 SER 6 H2 SER 6 -6.181 -2.714 -9.267 3 H3 SER 6 H3 SER 6 -5.802 -1.059 -9.332 4 HA SER 6 HA SER 6 -3.584 -1.479 -8.495 5 1HB SER 6 1HB SER 6 -6.126 -2.215 -7.177 6 2HB SER 6 2HB SER 6 -4.680 -2.782 -6.343 7 HG SER 6 HG SER 6 -5.622 -0.223 -6.724 8 H ILE 7 H ILE 7 -5.011 -4.114 -9.979 9 HA ILE 7 HA ILE 7 -2.664 -5.785 -9.683 10 HB ILE 7 HB ILE 7 -3.499 -6.202 -7.485 11 1HG1 ILE 7 1HG1 ILE 7 -4.889 -8.500 -8.727 12 2HG1 ILE 7 2HG1 ILE 7 -3.247 -8.218 -9.308 13 1HG2 ILE 7 1HG2 ILE 7 -6.217 -6.581 -8.781 14 2HG2 ILE 7 2HG2 ILE 7 -5.868 -6.772 -7.063 15 3HG2 ILE 7 3HG2 ILE 7 -5.722 -5.186 -7.821 16 1HD1 ILE 7 1HD1 ILE 7 -3.854 -8.207 -6.355 17 2HD1 ILE 7 2HD1 ILE 7 -3.569 -9.724 -7.207 18 3HD1 ILE 7 3HD1 ILE 7 -2.312 -8.489 -7.163 19 HA PRO 8 HA PRO 8 -1.673 -6.142 -11.372 20 1HB PRO 8 1HB PRO 8 -1.933 -4.875 -13.942 21 2HB PRO 8 2HB PRO 8 -1.086 -6.373 -13.549 22 1HG PRO 8 1HG PRO 8 -3.552 -6.067 -14.989 23 2HG PRO 8 2HG PRO 8 -2.709 -7.565 -14.589 24 1HD PRO 8 1HD PRO 8 -5.166 -6.554 -13.454 25 2HD PRO 8 2HD PRO 8 -4.322 -8.069 -13.060 26 HA PRO 9 HA PRO 9 -2.267 -1.996 -9.987 27 1HB PRO 9 1HB PRO 9 0.319 -1.133 -10.905 28 2HB PRO 9 2HB PRO 9 -0.158 -1.584 -9.267 29 1HG PRO 9 1HG PRO 9 1.511 -3.052 -11.087 30 2HG PRO 9 2HG PRO 9 1.037 -3.501 -9.448 31 1HD PRO 9 1HD PRO 9 0.140 -4.666 -11.932 32 2HD PRO 9 2HD PRO 9 -0.342 -5.114 -10.280 33 H ILE 10 H ILE 10 -2.525 0.204 -10.852 34 HA ILE 10 HA ILE 10 -2.659 0.260 -13.849 35 HB ILE 10 HB ILE 10 -4.240 1.780 -11.748 36 1HG1 ILE 10 1HG1 ILE 10 -4.843 -0.543 -11.620 37 2HG1 ILE 10 2HG1 ILE 10 -6.101 0.254 -12.566 38 1HG2 ILE 10 1HG2 ILE 10 -4.021 2.928 -13.946 39 2HG2 ILE 10 2HG2 ILE 10 -4.666 1.489 -14.738 40 3HG2 ILE 10 3HG2 ILE 10 -5.678 2.413 -13.629 41 1HD1 ILE 10 1HD1 ILE 10 -4.973 -0.460 -14.650 42 2HD1 ILE 10 2HD1 ILE 10 -3.735 -1.275 -13.695 43 3HD1 ILE 10 3HD1 ILE 10 -5.403 -1.847 -13.648 44 H CYS 11 H CYS 11 -1.717 2.028 -14.906 45 HA CYS 11 HA CYS 11 -0.293 4.018 -13.166 46 1HB CYS 11 1HB CYS 11 0.476 2.583 -15.718 47 2HB CYS 11 2HB CYS 11 1.352 4.000 -15.137 48 H PHE 12 H PHE 12 -0.316 6.194 -13.908 49 HA PHE 12 HA PHE 12 -2.326 6.763 -16.054 50 1HB PHE 12 1HB PHE 12 -1.278 8.406 -13.725 51 2HB PHE 12 2HB PHE 12 -2.525 8.936 -14.854 52 HD1 PHE 12 HD1 PHE 12 -4.066 6.441 -15.252 53 HD2 PHE 12 HD2 PHE 12 -2.409 8.137 -11.670 54 HE1 PHE 12 HE1 PHE 12 -5.784 5.270 -13.902 55 HE2 PHE 12 HE2 PHE 12 -4.128 6.965 -10.321 56 HZ PHE 12 HZ PHE 12 -5.816 5.531 -11.437 57 HA PRO 13 HA PRO 13 0.666 8.612 -18.688 58 1HB PRO 13 1HB PRO 13 -0.781 11.070 -19.061 59 2HB PRO 13 2HB PRO 13 -0.716 9.672 -20.136 60 1HG PRO 13 1HG PRO 13 -2.917 10.546 -18.511 61 2HG PRO 13 2HG PRO 13 -2.850 9.147 -19.585 62 1HD PRO 13 1HD PRO 13 -2.860 9.166 -16.697 63 2HD PRO 13 2HD PRO 13 -2.797 7.756 -17.779 64 H ASP 14 H ASP 14 -0.339 10.153 -15.776 65 HA ASP 14 HA ASP 14 1.421 12.463 -15.885 66 1HB ASP 14 1HB ASP 14 0.809 12.561 -13.460 67 2HB ASP 14 2HB ASP 14 -0.599 12.368 -14.505 68 H GLY 1 H GLY 1 2.061 9.175 -15.603 69 1HA GLY 1 1HA GLY 1 4.793 9.728 -14.650 70 2HA GLY 1 2HA GLY 1 4.216 8.197 -15.307 71 H ARG 2 H ARG 2 1.813 8.446 -13.424 72 HA ARG 2 HA ARG 2 3.240 7.608 -10.919 73 1HB ARG 2 1HB ARG 2 0.529 8.927 -11.287 74 2HB ARG 2 2HB ARG 2 1.279 8.531 -9.741 75 1HG ARG 2 1HG ARG 2 3.197 10.018 -10.342 76 2HG ARG 2 2HG ARG 2 2.337 10.478 -11.812 77 1HD ARG 2 1HD ARG 2 1.781 12.190 -10.247 78 2HD ARG 2 2HD ARG 2 0.378 11.105 -10.205 79 HE ARG 2 HE ARG 2 1.996 9.986 -8.309 80 1HH1 ARG 2 1HH1 ARG 2 -0.383 12.021 -7.926 81 2HH1 ARG 2 2HH1 ARG 2 0.322 13.053 -6.727 82 1HH2 ARG 2 1HH2 ARG 2 3.537 11.837 -7.194 83 2HH2 ARG 2 2HH2 ARG 2 2.543 12.949 -6.313 84 H CYS 3 H CYS 3 2.428 5.727 -9.885 85 HA CYS 3 HA CYS 3 0.307 4.219 -11.382 86 1HB CYS 3 1HB CYS 3 2.947 3.297 -10.207 87 2HB CYS 3 2HB CYS 3 1.710 2.195 -10.812 88 H THR 4 H THR 4 -0.837 2.624 -10.002 89 HA THR 4 HA THR 4 -1.285 3.676 -7.284 90 HB THR 4 HB THR 4 -3.147 2.021 -7.361 91 HG1 THR 4 HG1 THR 4 -3.373 0.783 -9.224 92 1HG2 THR 4 1HG2 THR 4 -2.700 4.224 -9.177 93 2HG2 THR 4 2HG2 THR 4 -3.736 3.012 -9.932 94 3HG2 THR 4 3HG2 THR 4 -4.196 3.725 -8.386 95 H LYS 5 H LYS 5 -1.373 2.098 -5.431 96 HA LYS 5 HA LYS 5 1.028 0.812 -4.867 97 1HB LYS 5 1HB LYS 5 -0.816 1.311 -3.285 98 2HB LYS 5 2HB LYS 5 -1.777 0.020 -4.010 99 1HG LYS 5 1HG LYS 5 0.018 -1.605 -3.401 100 2HG LYS 5 2HG LYS 5 0.885 -0.300 -2.589 101 1HD LYS 5 1HD LYS 5 -1.196 0.074 -1.189 102 2HD LYS 5 2HD LYS 5 -1.845 -1.411 -1.885 103 1HE LYS 5 1HE LYS 5 -0.294 -2.762 -0.776 104 2HE LYS 5 2HE LYS 5 0.901 -1.457 -0.651 105 1HZ LYS 5 1HZ LYS 5 -0.938 -0.303 0.720 106 2HZ LYS 5 2HZ LYS 5 -1.576 -1.866 0.906 107 3HZ LYS 5 3HZ LYS 5 -0.012 -1.512 1.468 No H/Q in entry = 107 Start of MODEL 5 1 H1 SER 6 H1 SER 6 -6.119 -2.516 -8.533 2 H2 SER 6 H2 SER 6 -6.074 -0.822 -8.667 3 H3 SER 6 H3 SER 6 -6.059 -1.783 -10.064 4 HA SER 6 HA SER 6 -3.833 -1.200 -9.866 5 1HB SER 6 1HB SER 6 -2.795 -1.030 -7.632 6 2HB SER 6 2HB SER 6 -4.277 -0.075 -7.700 7 HG SER 6 HG SER 6 -5.213 -1.396 -6.348 8 H ILE 7 H ILE 7 -5.456 -3.852 -9.843 9 HA ILE 7 HA ILE 7 -3.073 -5.618 -9.461 10 HB ILE 7 HB ILE 7 -4.657 -7.258 -8.392 11 1HG1 ILE 7 1HG1 ILE 7 -6.671 -5.463 -7.530 12 2HG1 ILE 7 2HG1 ILE 7 -6.550 -5.271 -9.280 13 1HG2 ILE 7 1HG2 ILE 7 -3.580 -4.816 -7.308 14 2HG2 ILE 7 2HG2 ILE 7 -5.090 -5.205 -6.484 15 3HG2 ILE 7 3HG2 ILE 7 -3.774 -6.381 -6.516 16 1HD1 ILE 7 1HD1 ILE 7 -6.379 -8.069 -8.597 17 2HD1 ILE 7 2HD1 ILE 7 -7.823 -7.368 -7.867 18 3HD1 ILE 7 3HD1 ILE 7 -7.569 -7.252 -9.609 19 HA PRO 8 HA PRO 8 -1.820 -6.149 -10.901 20 1HB PRO 8 1HB PRO 8 -1.419 -4.992 -13.505 21 2HB PRO 8 2HB PRO 8 -0.841 -6.549 -12.906 22 1HG PRO 8 1HG PRO 8 -2.914 -6.063 -14.828 23 2HG PRO 8 2HG PRO 8 -2.350 -7.619 -14.214 24 1HD PRO 8 1HD PRO 8 -4.849 -6.279 -13.640 25 2HD PRO 8 2HD PRO 8 -4.293 -7.862 -13.049 26 HA PRO 9 HA PRO 9 -1.970 -1.869 -9.879 27 1HB PRO 9 1HB PRO 9 0.664 -1.232 -10.847 28 2HB PRO 9 2HB PRO 9 0.164 -1.554 -9.186 29 1HG PRO 9 1HG PRO 9 1.725 -3.233 -10.919 30 2HG PRO 9 2HG PRO 9 1.233 -3.552 -9.254 31 1HD PRO 9 1HD PRO 9 0.249 -4.804 -11.660 32 2HD PRO 9 2HD PRO 9 -0.257 -5.116 -9.983 33 H ILE 10 H ILE 10 -2.470 0.124 -10.895 34 HA ILE 10 HA ILE 10 -2.325 0.111 -13.889 35 HB ILE 10 HB ILE 10 -4.140 1.634 -11.991 36 1HG1 ILE 10 1HG1 ILE 10 -4.613 -0.705 -11.722 37 2HG1 ILE 10 2HG1 ILE 10 -5.845 -0.065 -12.810 38 1HG2 ILE 10 1HG2 ILE 10 -3.860 2.646 -14.236 39 2HG2 ILE 10 2HG2 ILE 10 -4.315 1.111 -14.975 40 3HG2 ILE 10 3HG2 ILE 10 -5.490 2.009 -14.014 41 1HD1 ILE 10 1HD1 ILE 10 -4.499 -0.845 -14.751 42 2HD1 ILE 10 2HD1 ILE 10 -3.325 -1.542 -13.634 43 3HD1 ILE 10 3HD1 ILE 10 -4.970 -2.178 -13.696 44 H CYS 11 H CYS 11 -1.497 1.958 -14.941 45 HA CYS 11 HA CYS 11 -0.221 4.011 -13.158 46 1HB CYS 11 1HB CYS 11 0.648 2.667 -15.727 47 2HB CYS 11 2HB CYS 11 1.437 4.120 -15.113 48 H PHE 12 H PHE 12 -0.161 6.194 -14.046 49 HA PHE 12 HA PHE 12 -2.285 6.682 -16.108 50 1HB PHE 12 1HB PHE 12 -1.264 8.479 -13.886 51 2HB PHE 12 2HB PHE 12 -2.677 8.766 -14.902 52 HD1 PHE 12 HD1 PHE 12 -4.072 6.265 -15.028 53 HD2 PHE 12 HD2 PHE 12 -1.953 7.984 -11.709 54 HE1 PHE 12 HE1 PHE 12 -5.471 4.953 -13.455 55 HE2 PHE 12 HE2 PHE 12 -3.352 6.671 -10.137 56 HZ PHE 12 HZ PHE 12 -5.110 5.157 -11.010 57 HA PRO 13 HA PRO 13 0.595 8.643 -18.783 58 1HB PRO 13 1HB PRO 13 -0.950 11.044 -19.135 59 2HB PRO 13 2HB PRO 13 -0.846 9.649 -20.212 60 1HG PRO 13 1HG PRO 13 -3.055 10.439 -18.554 61 2HG PRO 13 2HG PRO 13 -2.952 9.045 -19.632 62 1HD PRO 13 1HD PRO 13 -2.924 9.057 -16.745 63 2HD PRO 13 2HD PRO 13 -2.816 7.652 -17.833 64 H ASP 14 H ASP 14 -0.410 10.120 -15.846 65 HA ASP 14 HA ASP 14 1.335 12.468 -16.009 66 1HB ASP 14 1HB ASP 14 0.588 12.726 -13.654 67 2HB ASP 14 2HB ASP 14 -0.774 12.415 -14.730 68 H GLY 1 H GLY 1 2.015 9.242 -15.717 69 1HA GLY 1 1HA GLY 1 4.662 9.786 -14.584 70 2HA GLY 1 2HA GLY 1 4.104 8.237 -15.215 71 H ARG 2 H ARG 2 1.626 8.432 -13.506 72 HA ARG 2 HA ARG 2 2.901 7.838 -10.853 73 1HB ARG 2 1HB ARG 2 1.379 9.864 -11.102 74 2HB ARG 2 2HB ARG 2 0.062 8.736 -11.422 75 1HG ARG 2 1HG ARG 2 0.434 7.660 -9.244 76 2HG ARG 2 2HG ARG 2 1.787 8.746 -8.926 77 1HD ARG 2 1HD ARG 2 0.217 10.690 -9.087 78 2HD ARG 2 2HD ARG 2 -1.126 9.547 -9.281 79 HE ARG 2 HE ARG 2 0.581 8.969 -6.970 80 1HH1 ARG 2 1HH1 ARG 2 -2.525 8.794 -7.596 81 2HH1 ARG 2 2HH1 ARG 2 -3.112 9.818 -6.328 82 1HH2 ARG 2 1HH2 ARG 2 0.009 11.132 -5.583 83 2HH2 ARG 2 2HH2 ARG 2 -1.678 11.142 -5.188 84 H CYS 3 H CYS 3 2.388 5.853 -9.920 85 HA CYS 3 HA CYS 3 0.416 4.127 -11.382 86 1HB CYS 3 1HB CYS 3 3.154 3.508 -10.236 87 2HB CYS 3 2HB CYS 3 2.036 2.268 -10.801 88 H THR 4 H THR 4 -0.420 2.329 -9.958 89 HA THR 4 HA THR 4 -0.747 3.308 -7.149 90 HB THR 4 HB THR 4 -2.849 2.057 -7.241 91 HG1 THR 4 HG1 THR 4 -3.350 0.857 -9.062 92 1HG2 THR 4 1HG2 THR 4 -2.418 4.345 -8.521 93 2HG2 THR 4 2HG2 THR 4 -2.764 3.351 -9.936 94 3HG2 THR 4 3HG2 THR 4 -3.965 3.509 -8.653 95 H LYS 5 H LYS 5 -0.988 1.500 -5.502 96 HA LYS 5 HA LYS 5 0.472 -0.998 -6.214 97 1HB LYS 5 1HB LYS 5 1.223 1.016 -4.073 98 2HB LYS 5 2HB LYS 5 1.927 -0.598 -4.191 99 1HG LYS 5 1HG LYS 5 2.638 -0.047 -6.536 100 2HG LYS 5 2HG LYS 5 2.065 1.602 -6.276 101 1HD LYS 5 1HD LYS 5 3.613 1.785 -4.324 102 2HD LYS 5 2HD LYS 5 4.237 0.179 -4.704 103 1HE LYS 5 1HE LYS 5 4.403 1.479 -7.148 104 2HE LYS 5 2HE LYS 5 4.831 2.752 -5.990 105 1HZ LYS 5 1HZ LYS 5 5.904 0.005 -5.733 106 2HZ LYS 5 2HZ LYS 5 6.673 1.150 -6.725 107 3HZ LYS 5 3HZ LYS 5 6.506 1.441 -5.059 No H/Q in entry = 107 Start of MODEL 6 1 H1 SER 6 H1 SER 6 -6.331 -2.672 -8.657 2 H2 SER 6 H2 SER 6 -6.261 -0.992 -8.900 3 H3 SER 6 H3 SER 6 -6.041 -2.052 -10.208 4 HA SER 6 HA SER 6 -3.878 -1.329 -9.651 5 1HB SER 6 1HB SER 6 -3.388 -1.777 -7.043 6 2HB SER 6 2HB SER 6 -4.097 -0.266 -7.612 7 HG SER 6 HG SER 6 -5.602 -2.532 -6.827 8 H ILE 7 H ILE 7 -5.401 -3.981 -10.079 9 HA ILE 7 HA ILE 7 -3.052 -5.729 -9.574 10 HB ILE 7 HB ILE 7 -5.853 -6.079 -8.484 11 1HG1 ILE 7 1HG1 ILE 7 -4.170 -4.857 -7.116 12 2HG1 ILE 7 2HG1 ILE 7 -4.654 -6.379 -6.366 13 1HG2 ILE 7 1HG2 ILE 7 -5.026 -8.162 -9.656 14 2HG2 ILE 7 2HG2 ILE 7 -3.667 -8.177 -8.533 15 3HG2 ILE 7 3HG2 ILE 7 -5.313 -8.366 -7.928 16 1HD1 ILE 7 1HD1 ILE 7 -2.549 -7.173 -7.947 17 2HD1 ILE 7 2HD1 ILE 7 -2.034 -5.565 -7.440 18 3HD1 ILE 7 3HD1 ILE 7 -2.423 -6.789 -6.231 19 HA PRO 8 HA PRO 8 -1.777 -6.203 -11.021 20 1HB PRO 8 1HB PRO 8 -1.398 -4.977 -13.597 21 2HB PRO 8 2HB PRO 8 -0.782 -6.531 -13.031 22 1HG PRO 8 1HG PRO 8 -2.863 -6.054 -14.948 23 2HG PRO 8 2HG PRO 8 -2.258 -7.609 -14.372 24 1HD PRO 8 1HD PRO 8 -4.794 -6.354 -13.774 25 2HD PRO 8 2HD PRO 8 -4.195 -7.932 -13.213 26 HA PRO 9 HA PRO 9 -2.047 -1.959 -9.886 27 1HB PRO 9 1HB PRO 9 0.575 -1.231 -10.819 28 2HB PRO 9 2HB PRO 9 0.073 -1.607 -9.170 29 1HG PRO 9 1HG PRO 9 1.683 -3.204 -10.938 30 2HG PRO 9 2HG PRO 9 1.199 -3.570 -9.280 31 1HD PRO 9 1HD PRO 9 0.254 -4.806 -11.706 32 2HD PRO 9 2HD PRO 9 -0.260 -5.150 -10.038 33 H ILE 10 H ILE 10 -2.459 0.116 -10.836 34 HA ILE 10 HA ILE 10 -2.377 0.148 -13.835 35 HB ILE 10 HB ILE 10 -4.183 1.587 -11.862 36 1HG1 ILE 10 1HG1 ILE 10 -4.768 -0.796 -13.645 37 2HG1 ILE 10 2HG1 ILE 10 -4.449 -0.906 -11.914 38 1HG2 ILE 10 1HG2 ILE 10 -3.733 1.804 -14.744 39 2HG2 ILE 10 2HG2 ILE 10 -5.414 1.442 -14.353 40 3HG2 ILE 10 3HG2 ILE 10 -4.637 2.869 -13.669 41 1HD1 ILE 10 1HD1 ILE 10 -6.569 0.980 -12.894 42 2HD1 ILE 10 2HD1 ILE 10 -6.934 -0.742 -12.784 43 3HD1 ILE 10 3HD1 ILE 10 -6.447 0.150 -11.343 44 H CYS 11 H CYS 11 -1.487 1.969 -14.848 45 HA CYS 11 HA CYS 11 -0.249 4.019 -13.037 46 1HB CYS 11 1HB CYS 11 0.659 2.698 -15.607 47 2HB CYS 11 2HB CYS 11 1.444 4.136 -14.956 48 H PHE 12 H PHE 12 -0.257 6.208 -13.837 49 HA PHE 12 HA PHE 12 -2.358 6.720 -15.907 50 1HB PHE 12 1HB PHE 12 -1.204 8.493 -13.730 51 2HB PHE 12 2HB PHE 12 -2.600 8.865 -14.741 52 HD1 PHE 12 HD1 PHE 12 -3.856 6.124 -14.825 53 HD2 PHE 12 HD2 PHE 12 -2.212 8.391 -11.569 54 HE1 PHE 12 HE1 PHE 12 -5.330 4.913 -13.239 55 HE2 PHE 12 HE2 PHE 12 -3.684 7.180 -9.982 56 HZ PHE 12 HZ PHE 12 -5.243 5.441 -10.818 57 HA PRO 13 HA PRO 13 0.515 8.488 -18.722 58 1HB PRO 13 1HB PRO 13 -1.005 10.893 -19.154 59 2HB PRO 13 2HB PRO 13 -0.940 9.449 -20.169 60 1HG PRO 13 1HG PRO 13 -3.108 10.343 -18.510 61 2HG PRO 13 2HG PRO 13 -3.042 8.900 -19.525 62 1HD PRO 13 1HD PRO 13 -2.960 9.044 -16.642 63 2HD PRO 13 2HD PRO 13 -2.892 7.590 -17.665 64 H ASP 14 H ASP 14 -0.404 10.098 -15.832 65 HA ASP 14 HA ASP 14 1.346 12.427 -16.129 66 1HB ASP 14 1HB ASP 14 0.683 12.762 -13.758 67 2HB ASP 14 2HB ASP 14 -0.717 12.420 -14.775 68 H GLY 1 H GLY 1 2.008 9.197 -15.713 69 1HA GLY 1 1HA GLY 1 4.697 9.788 -14.678 70 2HA GLY 1 2HA GLY 1 4.140 8.229 -15.288 71 H ARG 2 H ARG 2 1.686 8.506 -13.503 72 HA ARG 2 HA ARG 2 3.019 7.910 -10.882 73 1HB ARG 2 1HB ARG 2 1.497 9.915 -11.073 74 2HB ARG 2 2HB ARG 2 0.177 8.807 -11.447 75 1HG ARG 2 1HG ARG 2 0.427 7.703 -9.296 76 2HG ARG 2 2HG ARG 2 1.863 8.661 -8.931 77 1HD ARG 2 1HD ARG 2 -0.060 9.649 -7.778 78 2HD ARG 2 2HD ARG 2 0.423 10.736 -9.094 79 HE ARG 2 HE ARG 2 -1.444 9.857 -10.423 80 1HH1 ARG 2 1HH1 ARG 2 -1.075 7.998 -7.604 81 2HH1 ARG 2 2HH1 ARG 2 -2.771 7.784 -7.334 82 1HH2 ARG 2 1HH2 ARG 2 -3.719 9.916 -9.898 83 2HH2 ARG 2 2HH2 ARG 2 -4.270 8.869 -8.633 84 H CYS 3 H CYS 3 2.536 5.931 -9.913 85 HA CYS 3 HA CYS 3 0.581 4.160 -11.344 86 1HB CYS 3 1HB CYS 3 3.341 3.637 -10.212 87 2HB CYS 3 2HB CYS 3 2.237 2.335 -10.655 88 H THR 4 H THR 4 -0.498 2.598 -9.952 89 HA THR 4 HA THR 4 -0.780 3.557 -7.153 90 HB THR 4 HB THR 4 -2.832 2.199 -7.240 91 HG1 THR 4 HG1 THR 4 -2.583 0.505 -8.465 92 1HG2 THR 4 1HG2 THR 4 -2.359 3.847 -9.738 93 2HG2 THR 4 2HG2 THR 4 -3.944 3.357 -9.141 94 3HG2 THR 4 3HG2 THR 4 -2.940 4.449 -8.187 95 H LYS 5 H LYS 5 -1.057 1.760 -5.471 96 HA LYS 5 HA LYS 5 0.923 -0.437 -5.987 97 1HB LYS 5 1HB LYS 5 0.228 1.119 -3.474 98 2HB LYS 5 2HB LYS 5 1.381 -0.215 -3.536 99 1HG LYS 5 1HG LYS 5 2.688 1.056 -5.248 100 2HG LYS 5 2HG LYS 5 1.575 2.410 -5.046 101 1HD LYS 5 1HD LYS 5 2.155 2.450 -2.608 102 2HD LYS 5 2HD LYS 5 3.363 1.202 -2.914 103 1HE LYS 5 1HE LYS 5 4.839 2.747 -3.677 104 2HE LYS 5 2HE LYS 5 3.636 3.408 -4.802 105 1HZ LYS 5 1HZ LYS 5 3.231 3.895 -1.946 106 2HZ LYS 5 2HZ LYS 5 4.481 4.765 -2.699 107 3HZ LYS 5 3HZ LYS 5 2.886 4.897 -3.271 No H/Q in entry = 107 Start of MODEL 7 1 H1 SER 6 H1 SER 6 -5.712 -2.278 -10.457 2 H2 SER 6 H2 SER 6 -6.274 -2.447 -8.866 3 H3 SER 6 H3 SER 6 -5.942 -0.901 -9.489 4 HA SER 6 HA SER 6 -3.605 -1.323 -9.546 5 1HB SER 6 1HB SER 6 -5.125 -2.120 -7.052 6 2HB SER 6 2HB SER 6 -3.377 -1.881 -7.046 7 HG SER 6 HG SER 6 -5.267 -0.051 -6.874 8 H ILE 7 H ILE 7 -5.501 -4.074 -9.817 9 HA ILE 7 HA ILE 7 -3.074 -5.822 -9.760 10 HB ILE 7 HB ILE 7 -5.800 -6.406 -8.553 11 1HG1 ILE 7 1HG1 ILE 7 -3.743 -6.623 -6.641 12 2HG1 ILE 7 2HG1 ILE 7 -3.412 -5.130 -7.519 13 1HG2 ILE 7 1HG2 ILE 7 -3.422 -8.065 -9.195 14 2HG2 ILE 7 2HG2 ILE 7 -4.135 -8.320 -7.601 15 3HG2 ILE 7 3HG2 ILE 7 -5.116 -8.534 -9.051 16 1HD1 ILE 7 1HD1 ILE 7 -6.241 -5.337 -7.022 17 2HD1 ILE 7 2HD1 ILE 7 -5.364 -5.550 -5.507 18 3HD1 ILE 7 3HD1 ILE 7 -5.116 -4.096 -6.473 19 HA PRO 8 HA PRO 8 -1.953 -6.312 -11.333 20 1HB PRO 8 1HB PRO 8 -1.785 -5.000 -13.887 21 2HB PRO 8 2HB PRO 8 -1.166 -6.591 -13.439 22 1HG PRO 8 1HG PRO 8 -3.408 -5.982 -15.125 23 2HG PRO 8 2HG PRO 8 -2.793 -7.573 -14.672 24 1HD PRO 8 1HD PRO 8 -5.225 -6.290 -13.782 25 2HD PRO 8 2HD PRO 8 -4.610 -7.898 -13.334 26 HA PRO 9 HA PRO 9 -1.977 -2.104 -10.042 27 1HB PRO 9 1HB PRO 9 0.573 -1.422 -11.186 28 2HB PRO 9 2HB PRO 9 0.210 -1.845 -9.511 29 1HG PRO 9 1HG PRO 9 1.607 -3.418 -11.467 30 2HG PRO 9 2HG PRO 9 1.243 -3.843 -9.793 31 1HD PRO 9 1HD PRO 9 0.055 -4.923 -12.193 32 2HD PRO 9 2HD PRO 9 -0.309 -5.352 -10.505 33 H ILE 10 H ILE 10 -2.409 0.013 -10.880 34 HA ILE 10 HA ILE 10 -2.601 0.153 -13.869 35 HB ILE 10 HB ILE 10 -4.140 1.611 -11.695 36 1HG1 ILE 10 1HG1 ILE 10 -4.975 -0.724 -13.442 37 2HG1 ILE 10 2HG1 ILE 10 -4.538 -0.852 -11.738 38 1HG2 ILE 10 1HG2 ILE 10 -3.959 1.887 -14.595 39 2HG2 ILE 10 2HG2 ILE 10 -5.609 1.560 -14.065 40 3HG2 ILE 10 3HG2 ILE 10 -4.733 2.947 -13.418 41 1HD1 ILE 10 1HD1 ILE 10 -6.369 1.127 -11.577 42 2HD1 ILE 10 2HD1 ILE 10 -6.993 0.273 -12.989 43 3HD1 ILE 10 3HD1 ILE 10 -6.799 -0.579 -11.456 44 H CYS 11 H CYS 11 -1.683 1.937 -14.907 45 HA CYS 11 HA CYS 11 -0.249 3.913 -13.158 46 1HB CYS 11 1HB CYS 11 0.475 2.498 -15.729 47 2HB CYS 11 2HB CYS 11 1.319 3.959 -15.217 48 H PHE 12 H PHE 12 -0.155 6.099 -13.998 49 HA PHE 12 HA PHE 12 -2.289 6.693 -16.024 50 1HB PHE 12 1HB PHE 12 -1.189 8.328 -13.712 51 2HB PHE 12 2HB PHE 12 -2.502 8.825 -14.780 52 HD1 PHE 12 HD1 PHE 12 -3.849 6.135 -15.107 53 HD2 PHE 12 HD2 PHE 12 -2.353 8.164 -11.630 54 HE1 PHE 12 HE1 PHE 12 -5.468 4.901 -13.691 55 HE2 PHE 12 HE2 PHE 12 -3.972 6.932 -10.213 56 HZ PHE 12 HZ PHE 12 -5.530 5.300 -11.245 57 HA PRO 13 HA PRO 13 0.624 8.606 -18.699 58 1HB PRO 13 1HB PRO 13 -0.847 11.061 -18.993 59 2HB PRO 13 2HB PRO 13 -0.800 9.683 -20.094 60 1HG PRO 13 1HG PRO 13 -2.963 10.514 -18.397 61 2HG PRO 13 2HG PRO 13 -2.918 9.136 -19.499 62 1HD PRO 13 1HD PRO 13 -2.856 9.099 -16.613 63 2HD PRO 13 2HD PRO 13 -2.808 7.710 -17.724 64 H ASP 14 H ASP 14 -0.292 10.054 -15.723 65 HA ASP 14 HA ASP 14 1.536 12.344 -15.869 66 1HB ASP 14 1HB ASP 14 0.803 12.609 -13.514 67 2HB ASP 14 2HB ASP 14 -0.574 12.354 -14.586 68 H GLY 1 H GLY 1 2.042 9.066 -15.546 69 1HA GLY 1 1HA GLY 1 4.724 9.505 -14.425 70 2HA GLY 1 2HA GLY 1 4.117 7.992 -15.096 71 H ARG 2 H ARG 2 1.625 8.389 -13.347 72 HA ARG 2 HA ARG 2 2.865 7.605 -10.729 73 1HB ARG 2 1HB ARG 2 0.218 8.901 -11.452 74 2HB ARG 2 2HB ARG 2 0.657 8.407 -9.816 75 1HG ARG 2 1HG ARG 2 2.279 10.332 -11.509 76 2HG ARG 2 2HG ARG 2 1.116 10.832 -10.280 77 1HD ARG 2 1HD ARG 2 2.413 9.562 -8.568 78 2HD ARG 2 2HD ARG 2 3.607 9.148 -9.814 79 HE ARG 2 HE ARG 2 4.422 11.360 -9.625 80 1HH1 ARG 2 1HH1 ARG 2 1.805 11.046 -7.549 81 2HH1 ARG 2 2HH1 ARG 2 1.410 12.732 -7.506 82 1HH2 ARG 2 1HH2 ARG 2 3.642 13.590 -10.017 83 2HH2 ARG 2 2HH2 ARG 2 2.450 14.172 -8.903 84 H CYS 3 H CYS 3 2.193 5.649 -9.812 85 HA CYS 3 HA CYS 3 0.132 4.077 -11.324 86 1HB CYS 3 1HB CYS 3 2.807 3.210 -10.180 87 2HB CYS 3 2HB CYS 3 1.624 2.110 -10.888 88 H THR 4 H THR 4 -0.959 2.441 -9.980 89 HA THR 4 HA THR 4 -1.613 3.393 -7.328 90 HB THR 4 HB THR 4 -3.052 1.404 -7.330 91 HG1 THR 4 HG1 THR 4 -1.276 0.658 -9.373 92 1HG2 THR 4 1HG2 THR 4 -3.261 3.474 -9.040 93 2HG2 THR 4 2HG2 THR 4 -3.138 2.155 -10.204 94 3HG2 THR 4 3HG2 THR 4 -4.428 2.153 -9.001 95 H LYS 5 H LYS 5 -1.291 2.133 -5.325 96 HA LYS 5 HA LYS 5 0.236 1.164 -3.787 97 1HB LYS 5 1HB LYS 5 0.183 -0.797 -6.104 98 2HB LYS 5 2HB LYS 5 0.727 -1.187 -4.473 99 1HG LYS 5 1HG LYS 5 -1.519 -0.520 -3.608 100 2HG LYS 5 2HG LYS 5 -2.049 -0.260 -5.270 101 1HD LYS 5 1HD LYS 5 -1.481 -2.639 -5.779 102 2HD LYS 5 2HD LYS 5 -1.080 -2.876 -4.078 103 1HE LYS 5 1HE LYS 5 -3.698 -1.622 -4.375 104 2HE LYS 5 2HE LYS 5 -3.619 -3.181 -5.216 105 1HZ LYS 5 1HZ LYS 5 -2.308 -3.016 -2.614 106 2HZ LYS 5 2HZ LYS 5 -4.007 -2.988 -2.596 107 3HZ LYS 5 3HZ LYS 5 -3.190 -4.295 -3.303 No H/Q in entry = 107 Start of MODEL 8 1 H1 SER 6 H1 SER 6 -6.537 -3.227 -8.516 2 H2 SER 6 H2 SER 6 -6.647 -1.541 -8.702 3 H3 SER 6 H3 SER 6 -6.682 -2.549 -10.066 4 HA SER 6 HA SER 6 -4.505 -1.752 -10.081 5 1HB SER 6 1HB SER 6 -3.359 -1.962 -7.666 6 2HB SER 6 2HB SER 6 -4.332 -0.558 -8.106 7 HG SER 6 HG SER 6 -5.209 -2.871 -6.720 8 H ILE 7 H ILE 7 -5.776 -4.458 -10.237 9 HA ILE 7 HA ILE 7 -3.291 -6.065 -9.802 10 HB ILE 7 HB ILE 7 -6.136 -6.711 -8.971 11 1HG1 ILE 7 1HG1 ILE 7 -3.982 -7.056 -7.032 12 2HG1 ILE 7 2HG1 ILE 7 -4.068 -5.400 -7.633 13 1HG2 ILE 7 1HG2 ILE 7 -4.319 -8.521 -9.978 14 2HG2 ILE 7 2HG2 ILE 7 -3.986 -8.586 -8.246 15 3HG2 ILE 7 3HG2 ILE 7 -5.611 -8.917 -8.845 16 1HD1 ILE 7 1HD1 ILE 7 -6.700 -6.572 -7.048 17 2HD1 ILE 7 2HD1 ILE 7 -5.658 -6.441 -5.631 18 3HD1 ILE 7 3HD1 ILE 7 -6.039 -5.005 -6.580 19 HA PRO 8 HA PRO 8 -1.913 -6.416 -11.186 20 1HB PRO 8 1HB PRO 8 -1.439 -5.064 -13.680 21 2HB PRO 8 2HB PRO 8 -0.785 -6.612 -13.141 22 1HG PRO 8 1HG PRO 8 -2.764 -6.149 -15.165 23 2HG PRO 8 2HG PRO 8 -2.126 -7.698 -14.610 24 1HD PRO 8 1HD PRO 8 -4.747 -6.575 -14.124 25 2HD PRO 8 2HD PRO 8 -4.115 -8.152 -13.594 26 HA PRO 9 HA PRO 9 -2.431 -2.234 -9.911 27 1HB PRO 9 1HB PRO 9 0.191 -1.344 -10.692 28 2HB PRO 9 2HB PRO 9 -0.365 -1.811 -9.083 29 1HG PRO 9 1HG PRO 9 1.403 -3.254 -10.833 30 2HG PRO 9 2HG PRO 9 0.858 -3.714 -9.217 31 1HD PRO 9 1HD PRO 9 0.090 -4.883 -11.738 32 2HD PRO 9 2HD PRO 9 -0.478 -5.331 -10.112 33 H ILE 10 H ILE 10 -2.728 -0.058 -10.777 34 HA ILE 10 HA ILE 10 -2.631 0.049 -13.775 35 HB ILE 10 HB ILE 10 -4.469 1.419 -11.781 36 1HG1 ILE 10 1HG1 ILE 10 -4.982 -0.910 -13.657 37 2HG1 ILE 10 2HG1 ILE 10 -4.776 -1.045 -11.912 38 1HG2 ILE 10 1HG2 ILE 10 -3.944 1.800 -14.620 39 2HG2 ILE 10 2HG2 ILE 10 -5.626 1.360 -14.329 40 3HG2 ILE 10 3HG2 ILE 10 -4.933 2.771 -13.529 41 1HD1 ILE 10 1HD1 ILE 10 -6.689 0.791 -11.877 42 2HD1 ILE 10 2HD1 ILE 10 -7.050 0.129 -13.472 43 3HD1 ILE 10 3HD1 ILE 10 -7.091 -0.917 -12.053 44 H CYS 11 H CYS 11 -1.638 1.843 -14.708 45 HA CYS 11 HA CYS 11 -0.542 3.912 -12.828 46 1HB CYS 11 1HB CYS 11 0.615 2.560 -15.282 47 2HB CYS 11 2HB CYS 11 1.350 3.975 -14.527 48 H PHE 12 H PHE 12 -0.291 6.068 -13.804 49 HA PHE 12 HA PHE 12 -2.208 6.532 -16.065 50 1HB PHE 12 1HB PHE 12 -1.365 8.379 -13.808 51 2HB PHE 12 2HB PHE 12 -2.664 8.662 -14.966 52 HD1 PHE 12 HD1 PHE 12 -3.925 5.996 -15.127 53 HD2 PHE 12 HD2 PHE 12 -2.448 8.159 -11.723 54 HE1 PHE 12 HE1 PHE 12 -5.501 4.765 -13.661 55 HE2 PHE 12 HE2 PHE 12 -4.023 6.928 -10.257 56 HZ PHE 12 HZ PHE 12 -5.550 5.230 -11.226 57 HA PRO 13 HA PRO 13 0.989 8.303 -18.506 58 1HB PRO 13 1HB PRO 13 -0.492 10.681 -19.165 59 2HB PRO 13 2HB PRO 13 -0.274 9.229 -20.144 60 1HG PRO 13 1HG PRO 13 -2.652 10.109 -18.789 61 2HG PRO 13 2HG PRO 13 -2.437 8.661 -19.776 62 1HD PRO 13 1HD PRO 13 -2.740 8.820 -16.911 63 2HD PRO 13 2HD PRO 13 -2.507 7.362 -17.904 64 H ASP 14 H ASP 14 -0.347 9.960 -15.801 65 HA ASP 14 HA ASP 14 1.295 12.346 -15.861 66 1HB ASP 14 1HB ASP 14 0.518 12.475 -13.482 67 2HB ASP 14 2HB ASP 14 -0.801 12.173 -14.614 68 H GLY 1 H GLY 1 2.110 9.113 -15.414 69 1HA GLY 1 1HA GLY 1 4.726 9.874 -14.279 70 2HA GLY 1 2HA GLY 1 4.311 8.300 -14.959 71 H ARG 2 H ARG 2 1.738 8.551 -13.218 72 HA ARG 2 HA ARG 2 3.017 7.805 -10.607 73 1HB ARG 2 1HB ARG 2 0.234 8.842 -11.237 74 2HB ARG 2 2HB ARG 2 0.893 8.566 -9.625 75 1HG ARG 2 1HG ARG 2 2.778 10.186 -10.319 76 2HG ARG 2 2HG ARG 2 1.722 10.641 -11.657 77 1HD ARG 2 1HD ARG 2 0.831 10.689 -8.753 78 2HD ARG 2 2HD ARG 2 1.463 12.109 -9.608 79 HE ARG 2 HE ARG 2 -0.657 10.700 -11.064 80 1HH1 ARG 2 1HH1 ARG 2 -0.118 12.770 -8.383 81 2HH1 ARG 2 2HH1 ARG 2 -1.458 13.809 -8.735 82 1HH2 ARG 2 1HH2 ARG 2 -2.287 12.181 -11.683 83 2HH2 ARG 2 2HH2 ARG 2 -2.686 13.476 -10.604 84 H CYS 3 H CYS 3 2.240 5.894 -9.573 85 HA CYS 3 HA CYS 3 0.472 4.145 -11.254 86 1HB CYS 3 1HB CYS 3 3.103 3.665 -9.866 87 2HB CYS 3 2HB CYS 3 2.009 2.317 -10.178 88 H THR 4 H THR 4 -0.810 2.609 -10.005 89 HA THR 4 HA THR 4 -2.015 3.622 -7.649 90 HB THR 4 HB THR 4 -2.563 0.986 -7.529 91 HG1 THR 4 HG1 THR 4 -1.643 -0.025 -9.098 92 1HG2 THR 4 1HG2 THR 4 -3.665 3.287 -8.788 93 2HG2 THR 4 2HG2 THR 4 -3.828 1.941 -9.915 94 3HG2 THR 4 3HG2 THR 4 -4.505 1.818 -8.291 95 H LYS 5 H LYS 5 0.837 1.610 -8.073 96 HA LYS 5 HA LYS 5 1.107 0.447 -5.518 97 1HB LYS 5 1HB LYS 5 3.153 1.611 -7.434 98 2HB LYS 5 2HB LYS 5 3.553 0.540 -6.091 99 1HG LYS 5 1HG LYS 5 2.047 -1.188 -7.051 100 2HG LYS 5 2HG LYS 5 1.723 -0.122 -8.418 101 1HD LYS 5 1HD LYS 5 4.271 -0.065 -8.763 102 2HD LYS 5 2HD LYS 5 4.337 -1.433 -7.651 103 1HE LYS 5 1HE LYS 5 3.644 -2.861 -9.275 104 2HE LYS 5 2HE LYS 5 2.276 -1.811 -9.688 105 1HZ LYS 5 1HZ LYS 5 4.056 -0.304 -10.701 106 2HZ LYS 5 2HZ LYS 5 5.079 -1.658 -10.635 107 3HZ LYS 5 3HZ LYS 5 3.655 -1.710 -11.560 No H/Q in entry = 107 Start of MODEL 9 1 H1 SER 6 H1 SER 6 -6.359 -2.572 -8.106 2 H2 SER 6 H2 SER 6 -6.390 -0.925 -8.512 3 H3 SER 6 H3 SER 6 -6.583 -2.102 -9.723 4 HA SER 6 HA SER 6 -4.370 -1.423 -9.978 5 1HB SER 6 1HB SER 6 -4.574 -1.342 -6.969 6 2HB SER 6 2HB SER 6 -2.997 -1.337 -7.760 7 HG SER 6 HG SER 6 -4.421 0.729 -7.322 8 H ILE 7 H ILE 7 -5.628 -3.985 -10.117 9 HA ILE 7 HA ILE 7 -3.289 -5.719 -9.501 10 HB ILE 7 HB ILE 7 -6.148 -6.139 -8.573 11 1HG1 ILE 7 1HG1 ILE 7 -4.751 -4.638 -7.176 12 2HG1 ILE 7 2HG1 ILE 7 -5.122 -6.146 -6.338 13 1HG2 ILE 7 1HG2 ILE 7 -3.868 -8.014 -8.964 14 2HG2 ILE 7 2HG2 ILE 7 -4.777 -8.179 -7.461 15 3HG2 ILE 7 3HG2 ILE 7 -5.603 -8.326 -9.013 16 1HD1 ILE 7 1HD1 ILE 7 -2.725 -6.493 -7.893 17 2HD1 ILE 7 2HD1 ILE 7 -2.558 -5.057 -6.884 18 3HD1 ILE 7 3HD1 ILE 7 -2.929 -6.614 -6.145 19 HA PRO 8 HA PRO 8 -1.967 -6.273 -10.868 20 1HB PRO 8 1HB PRO 8 -1.455 -5.162 -13.471 21 2HB PRO 8 2HB PRO 8 -0.893 -6.702 -12.817 22 1HG PRO 8 1HG PRO 8 -2.877 -6.271 -14.843 23 2HG PRO 8 2HG PRO 8 -2.331 -7.810 -14.173 24 1HD PRO 8 1HD PRO 8 -4.863 -6.478 -13.742 25 2HD PRO 8 2HD PRO 8 -4.326 -8.045 -13.096 26 HA PRO 9 HA PRO 9 -2.166 -1.974 -9.944 27 1HB PRO 9 1HB PRO 9 0.480 -1.325 -10.868 28 2HB PRO 9 2HB PRO 9 -0.052 -1.621 -9.210 29 1HG PRO 9 1HG PRO 9 1.564 -3.314 -10.879 30 2HG PRO 9 2HG PRO 9 1.041 -3.606 -9.219 31 1HD PRO 9 1HD PRO 9 0.122 -4.918 -11.618 32 2HD PRO 9 2HD PRO 9 -0.417 -5.201 -9.946 33 H ILE 10 H ILE 10 -2.453 0.100 -10.983 34 HA ILE 10 HA ILE 10 -2.317 0.001 -13.981 35 HB ILE 10 HB ILE 10 -4.216 1.489 -12.135 36 1HG1 ILE 10 1HG1 ILE 10 -4.732 -0.958 -13.849 37 2HG1 ILE 10 2HG1 ILE 10 -4.424 -1.024 -12.114 38 1HG2 ILE 10 1HG2 ILE 10 -3.565 1.933 -14.826 39 2HG2 ILE 10 2HG2 ILE 10 -5.076 1.024 -14.875 40 3HG2 ILE 10 3HG2 ILE 10 -4.986 2.540 -13.977 41 1HD1 ILE 10 1HD1 ILE 10 -6.581 0.767 -13.218 42 2HD1 ILE 10 2HD1 ILE 10 -6.898 -0.943 -12.929 43 3HD1 ILE 10 3HD1 ILE 10 -6.423 0.103 -11.591 44 H CYS 11 H CYS 11 -1.160 1.637 -14.955 45 HA CYS 11 HA CYS 11 -0.016 3.758 -13.189 46 1HB CYS 11 1HB CYS 11 0.761 2.373 -15.744 47 2HB CYS 11 2HB CYS 11 1.469 3.941 -15.355 48 H PHE 12 H PHE 12 0.152 5.960 -14.166 49 HA PHE 12 HA PHE 12 -2.087 6.519 -16.087 50 1HB PHE 12 1HB PHE 12 -1.092 8.249 -13.803 51 2HB PHE 12 2HB PHE 12 -2.551 8.494 -14.762 52 HD1 PHE 12 HD1 PHE 12 -3.882 5.999 -14.931 53 HD2 PHE 12 HD2 PHE 12 -1.608 7.561 -11.638 54 HE1 PHE 12 HE1 PHE 12 -5.151 4.552 -13.368 55 HE2 PHE 12 HE2 PHE 12 -2.878 6.114 -10.075 56 HZ PHE 12 HZ PHE 12 -4.650 4.609 -10.940 57 HA PRO 13 HA PRO 13 0.820 8.564 -18.678 58 1HB PRO 13 1HB PRO 13 -0.897 10.821 -19.160 59 2HB PRO 13 2HB PRO 13 -0.624 9.421 -20.200 60 1HG PRO 13 1HG PRO 13 -2.971 10.053 -18.663 61 2HG PRO 13 2HG PRO 13 -2.702 8.660 -19.714 62 1HD PRO 13 1HD PRO 13 -2.826 8.702 -16.833 63 2HD PRO 13 2HD PRO 13 -2.533 7.301 -17.891 64 H ASP 14 H ASP 14 -0.511 10.064 -15.866 65 HA ASP 14 HA ASP 14 1.040 12.531 -15.973 66 1HB ASP 14 1HB ASP 14 0.202 12.719 -13.636 67 2HB ASP 14 2HB ASP 14 -1.089 12.292 -14.760 68 H GLY 1 H GLY 1 2.020 9.386 -15.622 69 1HA GLY 1 1HA GLY 1 4.559 10.198 -14.401 70 2HA GLY 1 2HA GLY 1 4.186 8.602 -15.052 71 H ARG 2 H ARG 2 1.637 8.547 -13.438 72 HA ARG 2 HA ARG 2 2.887 7.978 -10.768 73 1HB ARG 2 1HB ARG 2 0.173 9.107 -11.518 74 2HB ARG 2 2HB ARG 2 0.617 8.633 -9.879 75 1HG ARG 2 1HG ARG 2 2.580 10.214 -10.047 76 2HG ARG 2 2HG ARG 2 1.913 10.782 -11.578 77 1HD ARG 2 1HD ARG 2 -0.241 11.305 -10.334 78 2HD ARG 2 2HD ARG 2 0.637 10.972 -8.829 79 HE ARG 2 HE ARG 2 1.938 12.942 -9.201 80 1HH1 ARG 2 1HH1 ARG 2 -0.809 13.216 -10.937 81 2HH1 ARG 2 2HH1 ARG 2 -0.169 14.192 -12.217 82 1HH2 ARG 2 1HH2 ARG 2 3.136 13.719 -11.281 83 2HH2 ARG 2 2HH2 ARG 2 2.065 14.476 -12.412 84 H CYS 3 H CYS 3 2.465 5.935 -9.953 85 HA CYS 3 HA CYS 3 0.456 4.254 -11.420 86 1HB CYS 3 1HB CYS 3 3.218 3.608 -10.346 87 2HB CYS 3 2HB CYS 3 2.098 2.388 -10.950 88 H THR 4 H THR 4 -0.508 2.541 -10.073 89 HA THR 4 HA THR 4 -0.940 3.432 -7.295 90 HB THR 4 HB THR 4 -2.744 1.811 -7.383 91 HG1 THR 4 HG1 THR 4 -1.275 0.866 -9.595 92 1HG2 THR 4 1HG2 THR 4 -2.787 3.973 -8.829 93 2HG2 THR 4 2HG2 THR 4 -2.610 2.873 -10.197 94 3HG2 THR 4 3HG2 THR 4 -4.009 2.738 -9.132 95 H LYS 5 H LYS 5 -0.736 1.869 -5.488 96 HA LYS 5 HA LYS 5 1.558 -0.011 -5.911 97 1HB LYS 5 1HB LYS 5 0.519 1.525 -3.511 98 2HB LYS 5 2HB LYS 5 1.842 0.362 -3.426 99 1HG LYS 5 1HG LYS 5 3.048 1.698 -5.175 100 2HG LYS 5 2HG LYS 5 1.765 2.903 -5.080 101 1HD LYS 5 1HD LYS 5 2.238 3.172 -2.650 102 2HD LYS 5 2HD LYS 5 3.568 2.026 -2.803 103 1HE LYS 5 1HE LYS 5 3.843 4.025 -4.855 104 2HE LYS 5 2HE LYS 5 3.649 4.828 -3.285 105 1HZ LYS 5 1HZ LYS 5 5.245 3.040 -2.444 106 2HZ LYS 5 2HZ LYS 5 5.628 2.770 -4.077 107 3HZ LYS 5 3HZ LYS 5 5.913 4.290 -3.379 No H/Q in entry = 107 Start of MODEL 10 1 H1 SER 6 H1 SER 6 -6.126 -2.842 -8.282 2 H2 SER 6 H2 SER 6 -6.047 -1.166 -8.552 3 H3 SER 6 H3 SER 6 -5.710 -2.249 -9.816 4 HA SER 6 HA SER 6 -3.638 -1.361 -8.978 5 1HB SER 6 1HB SER 6 -4.073 -2.599 -6.323 6 2HB SER 6 2HB SER 6 -3.345 -1.045 -6.730 7 HG SER 6 HG SER 6 -5.564 -1.196 -5.663 8 H ILE 7 H ILE 7 -5.183 -4.108 -9.609 9 HA ILE 7 HA ILE 7 -2.705 -5.715 -9.611 10 HB ILE 7 HB ILE 7 -3.810 -7.535 -8.319 11 1HG1 ILE 7 1HG1 ILE 7 -5.884 -6.052 -7.057 12 2HG1 ILE 7 2HG1 ILE 7 -6.108 -5.878 -8.798 13 1HG2 ILE 7 1HG2 ILE 7 -2.416 -5.680 -7.247 14 2HG2 ILE 7 2HG2 ILE 7 -3.943 -4.934 -6.777 15 3HG2 ILE 7 3HG2 ILE 7 -3.519 -6.533 -6.166 16 1HD1 ILE 7 1HD1 ILE 7 -5.535 -8.522 -8.668 17 2HD1 ILE 7 2HD1 ILE 7 -6.302 -8.304 -7.096 18 3HD1 ILE 7 3HD1 ILE 7 -7.179 -7.890 -8.569 19 HA PRO 8 HA PRO 8 -1.731 -6.152 -11.291 20 1HB PRO 8 1HB PRO 8 -1.933 -4.860 -13.854 21 2HB PRO 8 2HB PRO 8 -1.160 -6.399 -13.470 22 1HG PRO 8 1HG PRO 8 -3.607 -5.968 -14.905 23 2HG PRO 8 2HG PRO 8 -2.841 -7.507 -14.510 24 1HD PRO 8 1HD PRO 8 -5.243 -6.373 -13.369 25 2HD PRO 8 2HD PRO 8 -4.481 -7.934 -12.985 26 HA PRO 9 HA PRO 9 -2.033 -1.972 -9.930 27 1HB PRO 9 1HB PRO 9 0.497 -1.186 -11.054 28 2HB PRO 9 2HB PRO 9 0.139 -1.624 -9.381 29 1HG PRO 9 1HG PRO 9 1.613 -3.141 -11.326 30 2HG PRO 9 2HG PRO 9 1.257 -3.576 -9.653 31 1HD PRO 9 1HD PRO 9 0.131 -4.711 -12.057 32 2HD PRO 9 2HD PRO 9 -0.232 -5.148 -10.371 33 H ILE 10 H ILE 10 -2.331 0.221 -10.776 34 HA ILE 10 HA ILE 10 -2.538 0.334 -13.769 35 HB ILE 10 HB ILE 10 -4.270 1.609 -11.625 36 1HG1 ILE 10 1HG1 ILE 10 -4.846 -0.691 -13.518 37 2HG1 ILE 10 2HG1 ILE 10 -4.511 -0.861 -11.795 38 1HG2 ILE 10 1HG2 ILE 10 -4.549 1.504 -14.646 39 2HG2 ILE 10 2HG2 ILE 10 -5.742 2.178 -13.535 40 3HG2 ILE 10 3HG2 ILE 10 -4.159 2.938 -13.694 41 1HD1 ILE 10 1HD1 ILE 10 -6.463 0.779 -11.431 42 2HD1 ILE 10 2HD1 ILE 10 -6.881 0.467 -13.116 43 3HD1 ILE 10 3HD1 ILE 10 -6.881 -0.855 -11.949 44 H CYS 11 H CYS 11 -1.423 2.014 -14.701 45 HA CYS 11 HA CYS 11 -0.413 4.187 -12.894 46 1HB CYS 11 1HB CYS 11 0.747 2.863 -15.365 47 2HB CYS 11 2HB CYS 11 1.476 4.256 -14.565 48 H PHE 12 H PHE 12 -0.278 6.331 -13.880 49 HA PHE 12 HA PHE 12 -2.249 6.705 -16.108 50 1HB PHE 12 1HB PHE 12 -1.309 8.669 -13.997 51 2HB PHE 12 2HB PHE 12 -2.701 8.844 -15.064 52 HD1 PHE 12 HD1 PHE 12 -4.137 6.408 -15.004 53 HD2 PHE 12 HD2 PHE 12 -1.962 8.265 -11.799 54 HE1 PHE 12 HE1 PHE 12 -5.552 5.216 -13.353 55 HE2 PHE 12 HE2 PHE 12 -3.377 7.072 -10.148 56 HZ PHE 12 HZ PHE 12 -5.171 5.548 -10.925 57 HA PRO 13 HA PRO 13 0.801 8.435 -18.753 58 1HB PRO 13 1HB PRO 13 -0.672 10.836 -19.341 59 2HB PRO 13 2HB PRO 13 -0.546 9.370 -20.317 60 1HG PRO 13 1HG PRO 13 -2.817 10.310 -18.830 61 2HG PRO 13 2HG PRO 13 -2.690 8.845 -19.808 62 1HD PRO 13 1HD PRO 13 -2.805 9.050 -16.929 63 2HD PRO 13 2HD PRO 13 -2.676 7.574 -17.914 64 H ASP 14 H ASP 14 -0.320 10.121 -15.976 65 HA ASP 14 HA ASP 14 1.451 12.438 -16.192 66 1HB ASP 14 1HB ASP 14 0.642 12.802 -13.867 67 2HB ASP 14 2HB ASP 14 -0.690 12.451 -14.970 68 H GLY 1 H GLY 1 2.133 9.236 -15.748 69 1HA GLY 1 1HA GLY 1 4.734 9.841 -14.537 70 2HA GLY 1 2HA GLY 1 4.215 8.270 -15.149 71 H ARG 2 H ARG 2 1.659 8.580 -13.517 72 HA ARG 2 HA ARG 2 2.822 8.096 -10.796 73 1HB ARG 2 1HB ARG 2 1.231 9.993 -11.096 74 2HB ARG 2 2HB ARG 2 0.013 8.854 -11.666 75 1HG ARG 2 1HG ARG 2 0.128 7.657 -9.505 76 2HG ARG 2 2HG ARG 2 1.335 8.809 -8.935 77 1HD ARG 2 1HD ARG 2 -0.311 10.655 -9.229 78 2HD ARG 2 2HD ARG 2 -1.525 9.466 -9.740 79 HE ARG 2 HE ARG 2 -0.158 9.238 -7.081 80 1HH1 ARG 2 1HH1 ARG 2 -2.326 7.395 -8.429 81 2HH1 ARG 2 2HH1 ARG 2 -3.700 7.827 -7.466 82 1HH2 ARG 2 1HH2 ARG 2 -2.199 10.645 -6.113 83 2HH2 ARG 2 2HH2 ARG 2 -3.628 9.667 -6.155 84 H CYS 3 H CYS 3 2.450 6.101 -9.840 85 HA CYS 3 HA CYS 3 0.709 4.170 -11.342 86 1HB CYS 3 1HB CYS 3 3.438 3.973 -10.087 87 2HB CYS 3 2HB CYS 3 2.450 2.523 -10.270 88 H THR 4 H THR 4 -0.315 2.524 -9.963 89 HA THR 4 HA THR 4 -0.727 3.491 -7.155 90 HB THR 4 HB THR 4 -2.942 2.397 -7.409 91 HG1 THR 4 HG1 THR 4 -3.433 1.693 -9.588 92 1HG2 THR 4 1HG2 THR 4 -2.230 4.783 -8.372 93 2HG2 THR 4 2HG2 THR 4 -2.659 4.014 -9.901 94 3HG2 THR 4 3HG2 THR 4 -3.855 4.139 -8.610 95 H LYS 5 H LYS 5 -1.300 1.645 -5.614 96 HA LYS 5 HA LYS 5 0.767 -0.367 -5.643 97 1HB LYS 5 1HB LYS 5 -1.774 0.029 -4.034 98 2HB LYS 5 2HB LYS 5 -0.540 -1.166 -3.635 99 1HG LYS 5 1HG LYS 5 1.142 0.677 -3.512 100 2HG LYS 5 2HG LYS 5 -0.155 1.839 -3.791 101 1HD LYS 5 1HD LYS 5 -1.314 0.968 -1.757 102 2HD LYS 5 2HD LYS 5 0.065 -0.089 -1.459 103 1HE LYS 5 1HE LYS 5 0.954 2.643 -1.910 104 2HE LYS 5 2HE LYS 5 -0.209 2.562 -0.573 105 1HZ LYS 5 1HZ LYS 5 1.799 0.441 -0.776 106 2HZ LYS 5 2HZ LYS 5 2.332 1.958 -0.233 107 3HZ LYS 5 3HZ LYS 5 1.103 1.140 0.608 No H/Q in entry = 107 Start of MODEL 11 1 H1 SER 6 H1 SER 6 -5.757 -2.855 -7.556 2 H2 SER 6 H2 SER 6 -5.914 -1.244 -8.076 3 H3 SER 6 H3 SER 6 -6.125 -2.521 -9.178 4 HA SER 6 HA SER 6 -3.968 -1.605 -9.577 5 1HB SER 6 1HB SER 6 -2.421 -1.396 -7.631 6 2HB SER 6 2HB SER 6 -3.882 -0.431 -7.421 7 HG SER 6 HG SER 6 -2.985 -2.146 -5.749 8 H ILE 7 H ILE 7 -5.204 -4.204 -9.763 9 HA ILE 7 HA ILE 7 -2.775 -5.883 -9.694 10 HB ILE 7 HB ILE 7 -3.559 -6.224 -7.465 11 1HG1 ILE 7 1HG1 ILE 7 -4.711 -8.402 -9.237 12 2HG1 ILE 7 2HG1 ILE 7 -3.056 -8.322 -8.633 13 1HG2 ILE 7 1HG2 ILE 7 -6.259 -6.149 -8.785 14 2HG2 ILE 7 2HG2 ILE 7 -6.067 -6.982 -7.242 15 3HG2 ILE 7 3HG2 ILE 7 -5.688 -5.264 -7.370 16 1HD1 ILE 7 1HD1 ILE 7 -5.029 -8.064 -6.492 17 2HD1 ILE 7 2HD1 ILE 7 -5.191 -9.585 -7.369 18 3HD1 ILE 7 3HD1 ILE 7 -3.652 -9.159 -6.619 19 HA PRO 8 HA PRO 8 -1.846 -6.322 -11.409 20 1HB PRO 8 1HB PRO 8 -2.142 -5.082 -13.988 21 2HB PRO 8 2HB PRO 8 -1.340 -6.605 -13.599 22 1HG PRO 8 1HG PRO 8 -3.841 -6.224 -14.960 23 2HG PRO 8 2HG PRO 8 -3.038 -7.748 -14.572 24 1HD PRO 8 1HD PRO 8 -5.418 -6.645 -13.369 25 2HD PRO 8 2HD PRO 8 -4.607 -8.178 -12.975 26 HA PRO 9 HA PRO 9 -2.237 -2.138 -10.066 27 1HB PRO 9 1HB PRO 9 0.358 -1.396 -11.059 28 2HB PRO 9 2HB PRO 9 -0.096 -1.807 -9.404 29 1HG PRO 9 1HG PRO 9 1.466 -3.366 -11.244 30 2HG PRO 9 2HG PRO 9 1.011 -3.776 -9.588 31 1HD PRO 9 1HD PRO 9 0.007 -4.926 -12.039 32 2HD PRO 9 2HD PRO 9 -0.450 -5.341 -10.370 33 H ILE 10 H ILE 10 -2.491 0.035 -10.955 34 HA ILE 10 HA ILE 10 -2.450 0.142 -13.955 35 HB ILE 10 HB ILE 10 -4.451 1.293 -11.980 36 1HG1 ILE 10 1HG1 ILE 10 -4.798 -0.922 -14.020 37 2HG1 ILE 10 2HG1 ILE 10 -4.493 -1.208 -12.308 38 1HG2 ILE 10 1HG2 ILE 10 -4.171 1.442 -14.982 39 2HG2 ILE 10 2HG2 ILE 10 -5.739 1.634 -14.198 40 3HG2 ILE 10 3HG2 ILE 10 -4.430 2.759 -13.837 41 1HD1 ILE 10 1HD1 ILE 10 -6.528 0.232 -11.819 42 2HD1 ILE 10 2HD1 ILE 10 -6.878 0.187 -13.547 43 3HD1 ILE 10 3HD1 ILE 10 -6.875 -1.307 -12.608 44 H CYS 11 H CYS 11 -1.377 1.914 -14.781 45 HA CYS 11 HA CYS 11 -0.615 4.084 -12.854 46 1HB CYS 11 1HB CYS 11 1.108 2.432 -13.876 47 2HB CYS 11 2HB CYS 11 0.857 3.324 -15.377 48 H PHE 12 H PHE 12 -0.353 6.247 -13.885 49 HA PHE 12 HA PHE 12 -2.245 6.605 -16.187 50 1HB PHE 12 1HB PHE 12 -1.511 8.502 -13.933 51 2HB PHE 12 2HB PHE 12 -2.778 8.748 -15.134 52 HD1 PHE 12 HD1 PHE 12 -4.097 6.178 -15.338 53 HD2 PHE 12 HD2 PHE 12 -2.532 8.150 -11.856 54 HE1 PHE 12 HE1 PHE 12 -5.690 4.924 -13.909 55 HE2 PHE 12 HE2 PHE 12 -4.125 6.895 -10.429 56 HZ PHE 12 HZ PHE 12 -5.704 5.282 -11.455 57 HA PRO 13 HA PRO 13 0.906 8.499 -18.596 58 1HB PRO 13 1HB PRO 13 -0.611 10.862 -19.224 59 2HB PRO 13 2HB PRO 13 -0.370 9.425 -20.222 60 1HG PRO 13 1HG PRO 13 -2.764 10.251 -18.864 61 2HG PRO 13 2HG PRO 13 -2.524 8.816 -19.864 62 1HD PRO 13 1HD PRO 13 -2.829 8.946 -16.996 63 2HD PRO 13 2HD PRO 13 -2.584 7.499 -18.004 64 H ASP 14 H ASP 14 -0.503 10.143 -15.903 65 HA ASP 14 HA ASP 14 1.010 12.570 -15.877 66 1HB ASP 14 1HB ASP 14 0.416 12.500 -13.447 67 2HB ASP 14 2HB ASP 14 -0.961 12.136 -14.487 68 H GLY 1 H GLY 1 1.959 9.295 -15.352 69 1HA GLY 1 1HA GLY 1 4.661 10.235 -14.548 70 2HA GLY 1 2HA GLY 1 4.292 8.653 -15.235 71 H ARG 2 H ARG 2 1.878 8.615 -13.298 72 HA ARG 2 HA ARG 2 3.454 7.755 -10.892 73 1HB ARG 2 1HB ARG 2 0.805 9.215 -11.116 74 2HB ARG 2 2HB ARG 2 1.441 8.569 -9.604 75 1HG ARG 2 1HG ARG 2 3.506 9.950 -9.948 76 2HG ARG 2 2HG ARG 2 2.738 10.672 -11.362 77 1HD ARG 2 1HD ARG 2 1.647 10.774 -8.523 78 2HD ARG 2 2HD ARG 2 2.407 12.122 -9.391 79 HE ARG 2 HE ARG 2 -0.129 10.783 -10.273 80 1HH1 ARG 2 1HH1 ARG 2 2.119 12.834 -11.540 81 2HH1 ARG 2 2HH1 ARG 2 1.058 14.185 -11.770 82 1HH2 ARG 2 1HH2 ARG 2 -1.545 12.789 -9.954 83 2HH2 ARG 2 2HH2 ARG 2 -1.016 14.159 -10.873 84 H CYS 3 H CYS 3 3.002 5.674 -10.236 85 HA CYS 3 HA CYS 3 0.710 4.279 -11.566 86 1HB CYS 3 1HB CYS 3 3.269 3.217 -10.325 87 2HB CYS 3 2HB CYS 3 2.082 2.264 -11.216 88 H THR 4 H THR 4 -0.618 2.897 -10.259 89 HA THR 4 HA THR 4 -0.868 3.763 -7.455 90 HB THR 4 HB THR 4 -2.948 2.472 -7.594 91 HG1 THR 4 HG1 THR 4 -1.584 1.367 -9.748 92 1HG2 THR 4 1HG2 THR 4 -2.226 4.168 -9.980 93 2HG2 THR 4 2HG2 THR 4 -3.847 3.504 -9.784 94 3HG2 THR 4 3HG2 THR 4 -3.195 4.608 -8.574 95 H LYS 5 H LYS 5 -1.396 1.843 -5.859 96 HA LYS 5 HA LYS 5 0.169 -0.613 -6.356 97 1HB LYS 5 1HB LYS 5 0.909 1.516 -4.325 98 2HB LYS 5 2HB LYS 5 1.583 -0.114 -4.318 99 1HG LYS 5 1HG LYS 5 2.308 0.287 -6.715 100 2HG LYS 5 2HG LYS 5 1.844 1.974 -6.497 101 1HD LYS 5 1HD LYS 5 3.401 2.121 -4.561 102 2HD LYS 5 2HD LYS 5 3.902 0.458 -4.861 103 1HE LYS 5 1HE LYS 5 4.172 1.649 -7.359 104 2HE LYS 5 2HE LYS 5 4.722 2.910 -6.239 105 1HZ LYS 5 1HZ LYS 5 5.810 0.808 -5.090 106 2HZ LYS 5 2HZ LYS 5 5.781 0.216 -6.682 107 3HZ LYS 5 3HZ LYS 5 6.609 1.656 -6.322 No H/Q in entry = 107 Start of MODEL 12 1 H1 SER 6 H1 SER 6 -5.484 -2.497 -10.757 2 H2 SER 6 H2 SER 6 -6.603 -2.811 -9.522 3 H3 SER 6 H3 SER 6 -6.113 -1.215 -9.837 4 HA SER 6 HA SER 6 -3.949 -1.589 -8.990 5 1HB SER 6 1HB SER 6 -4.568 -2.060 -6.715 6 2HB SER 6 2HB SER 6 -5.986 -1.331 -7.471 7 HG SER 6 HG SER 6 -6.197 -3.399 -6.201 8 H ILE 7 H ILE 7 -5.612 -4.445 -9.981 9 HA ILE 7 HA ILE 7 -3.092 -6.006 -9.707 10 HB ILE 7 HB ILE 7 -4.290 -6.500 -7.681 11 1HG1 ILE 7 1HG1 ILE 7 -4.779 -8.880 -7.951 12 2HG1 ILE 7 2HG1 ILE 7 -4.945 -8.673 -9.695 13 1HG2 ILE 7 1HG2 ILE 7 -6.560 -5.948 -9.317 14 2HG2 ILE 7 2HG2 ILE 7 -6.754 -7.578 -8.670 15 3HG2 ILE 7 3HG2 ILE 7 -6.520 -6.216 -7.575 16 1HD1 ILE 7 1HD1 ILE 7 -2.578 -7.920 -9.807 17 2HD1 ILE 7 2HD1 ILE 7 -2.423 -8.202 -8.074 18 3HD1 ILE 7 3HD1 ILE 7 -2.717 -9.556 -9.164 19 HA PRO 8 HA PRO 8 -1.841 -6.358 -11.228 20 1HB PRO 8 1HB PRO 8 -1.660 -4.960 -13.736 21 2HB PRO 8 2HB PRO 8 -0.922 -6.501 -13.294 22 1HG PRO 8 1HG PRO 8 -3.123 -6.047 -15.083 23 2HG PRO 8 2HG PRO 8 -2.383 -7.587 -14.642 24 1HD PRO 8 1HD PRO 8 -4.968 -6.574 -13.851 25 2HD PRO 8 2HD PRO 8 -4.220 -8.125 -13.405 26 HA PRO 9 HA PRO 9 -2.330 -2.218 -9.815 27 1HB PRO 9 1HB PRO 9 0.214 -1.280 -10.774 28 2HB PRO 9 2HB PRO 9 -0.211 -1.787 -9.138 29 1HG PRO 9 1HG PRO 9 1.434 -3.171 -11.046 30 2HG PRO 9 2HG PRO 9 1.016 -3.673 -9.406 31 1HD PRO 9 1HD PRO 9 0.073 -4.791 -11.892 32 2HD PRO 9 2HD PRO 9 -0.362 -5.287 -10.240 33 H ILE 10 H ILE 10 -2.597 0.023 -10.607 34 HA ILE 10 HA ILE 10 -2.889 0.143 -13.589 35 HB ILE 10 HB ILE 10 -4.309 1.589 -11.326 36 1HG1 ILE 10 1HG1 ILE 10 -5.007 -0.713 -11.411 37 2HG1 ILE 10 2HG1 ILE 10 -6.265 0.232 -12.207 38 1HG2 ILE 10 1HG2 ILE 10 -4.657 1.691 -14.336 39 2HG2 ILE 10 2HG2 ILE 10 -5.851 2.310 -13.194 40 3HG2 ILE 10 3HG2 ILE 10 -4.242 3.030 -13.265 41 1HD1 ILE 10 1HD1 ILE 10 -5.177 -0.280 -14.408 42 2HD1 ILE 10 2HD1 ILE 10 -4.051 -1.339 -13.560 43 3HD1 ILE 10 3HD1 ILE 10 -5.775 -1.717 -13.578 44 H CYS 11 H CYS 11 -1.815 1.783 -14.669 45 HA CYS 11 HA CYS 11 -0.324 3.779 -12.993 46 1HB CYS 11 1HB CYS 11 0.331 2.183 -15.462 47 2HB CYS 11 2HB CYS 11 1.183 3.693 -15.140 48 H PHE 12 H PHE 12 -0.032 5.908 -14.036 49 HA PHE 12 HA PHE 12 -2.137 6.510 -16.089 50 1HB PHE 12 1HB PHE 12 -1.285 7.940 -13.562 51 2HB PHE 12 2HB PHE 12 -2.233 8.742 -14.815 52 HD1 PHE 12 HD1 PHE 12 -2.201 5.929 -12.393 53 HD2 PHE 12 HD2 PHE 12 -4.559 8.247 -15.135 54 HE1 PHE 12 HE1 PHE 12 -4.266 4.886 -11.498 55 HE2 PHE 12 HE2 PHE 12 -6.624 7.204 -14.240 56 HZ PHE 12 HZ PHE 12 -6.477 5.524 -12.422 57 HA PRO 13 HA PRO 13 0.965 8.427 -18.542 58 1HB PRO 13 1HB PRO 13 -0.560 10.815 -19.041 59 2HB PRO 13 2HB PRO 13 -0.363 9.411 -20.093 60 1HG PRO 13 1HG PRO 13 -2.703 10.203 -18.629 61 2HG PRO 13 2HG PRO 13 -2.504 8.796 -19.675 62 1HD PRO 13 1HD PRO 13 -2.705 8.849 -16.794 63 2HD PRO 13 2HD PRO 13 -2.514 7.431 -17.849 64 H ASP 14 H ASP 14 -0.264 9.902 -15.698 65 HA ASP 14 HA ASP 14 1.406 12.296 -15.732 66 1HB ASP 14 1HB ASP 14 0.579 12.448 -13.386 67 2HB ASP 14 2HB ASP 14 -0.732 12.137 -14.525 68 H GLY 1 H GLY 1 2.258 9.122 -15.541 69 1HA GLY 1 1HA GLY 1 4.831 9.744 -14.309 70 2HA GLY 1 2HA GLY 1 4.347 8.179 -14.961 71 H ARG 2 H ARG 2 1.796 8.574 -13.206 72 HA ARG 2 HA ARG 2 3.072 7.690 -10.635 73 1HB ARG 2 1HB ARG 2 0.559 9.290 -11.210 74 2HB ARG 2 2HB ARG 2 0.991 8.693 -9.608 75 1HG ARG 2 1HG ARG 2 3.170 9.923 -9.803 76 2HG ARG 2 2HG ARG 2 2.595 10.614 -11.321 77 1HD ARG 2 1HD ARG 2 1.253 10.939 -8.609 78 2HD ARG 2 2HD ARG 2 2.156 12.192 -9.482 79 HE ARG 2 HE ARG 2 0.437 11.833 -11.353 80 1HH1 ARG 2 1HH1 ARG 2 -0.666 13.316 -8.936 81 2HH1 ARG 2 2HH1 ARG 2 -2.171 12.493 -8.692 82 1HH2 ARG 2 1HH2 ARG 2 -1.310 9.779 -10.670 83 2HH2 ARG 2 2HH2 ARG 2 -2.535 10.490 -9.674 84 H CYS 3 H CYS 3 2.306 5.753 -9.791 85 HA CYS 3 HA CYS 3 0.056 4.424 -11.271 86 1HB CYS 3 1HB CYS 3 2.591 3.323 -10.014 87 2HB CYS 3 2HB CYS 3 1.314 2.319 -10.703 88 H THR 4 H THR 4 -1.209 2.894 -9.918 89 HA THR 4 HA THR 4 -1.976 4.006 -7.383 90 HB THR 4 HB THR 4 -3.091 1.586 -7.342 91 HG1 THR 4 HG1 THR 4 -1.985 0.603 -8.931 92 1HG2 THR 4 1HG2 THR 4 -3.886 4.057 -8.145 93 2HG2 THR 4 2HG2 THR 4 -4.042 3.166 -9.659 94 3HG2 THR 4 3HG2 THR 4 -4.917 2.629 -8.226 95 H LYS 5 H LYS 5 0.279 1.462 -8.306 96 HA LYS 5 HA LYS 5 0.625 0.519 -5.537 97 1HB LYS 5 1HB LYS 5 0.706 -0.906 -7.621 98 2HB LYS 5 2HB LYS 5 2.205 -0.083 -8.056 99 1HG LYS 5 1HG LYS 5 3.260 -0.853 -5.983 100 2HG LYS 5 2HG LYS 5 1.753 -1.614 -5.476 101 1HD LYS 5 1HD LYS 5 3.177 -3.327 -6.433 102 2HD LYS 5 2HD LYS 5 1.850 -3.028 -7.555 103 1HE LYS 5 1HE LYS 5 3.381 -2.573 -9.165 104 2HE LYS 5 2HE LYS 5 3.929 -1.184 -8.207 105 1HZ LYS 5 1HZ LYS 5 5.033 -3.094 -6.802 106 2HZ LYS 5 2HZ LYS 5 4.970 -3.929 -8.281 107 3HZ LYS 5 3HZ LYS 5 5.814 -2.462 -8.172 No H/Q in entry = 107 Start of MODEL 13 1 H1 SER 6 H1 SER 6 -4.537 -2.104 -10.262 2 H2 SER 6 H2 SER 6 -5.805 -2.414 -9.174 3 H3 SER 6 H3 SER 6 -5.106 -0.868 -9.251 4 HA SER 6 HA SER 6 -3.107 -1.587 -8.253 5 1HB SER 6 1HB SER 6 -5.761 -2.209 -7.161 6 2HB SER 6 2HB SER 6 -4.465 -3.103 -6.366 7 HG SER 6 HG SER 6 -4.359 -1.265 -5.305 8 H ILE 7 H ILE 7 -4.825 -4.031 -9.909 9 HA ILE 7 HA ILE 7 -2.549 -5.821 -9.947 10 HB ILE 7 HB ILE 7 -3.306 -6.234 -7.664 11 1HG1 ILE 7 1HG1 ILE 7 -4.148 -8.431 -9.580 12 2HG1 ILE 7 2HG1 ILE 7 -2.537 -8.196 -8.903 13 1HG2 ILE 7 1HG2 ILE 7 -5.818 -5.640 -8.691 14 2HG2 ILE 7 2HG2 ILE 7 -5.914 -7.369 -8.355 15 3HG2 ILE 7 3HG2 ILE 7 -5.488 -6.241 -7.067 16 1HD1 ILE 7 1HD1 ILE 7 -4.548 -8.270 -6.807 17 2HD1 ILE 7 2HD1 ILE 7 -4.607 -9.730 -7.794 18 3HD1 ILE 7 3HD1 ILE 7 -3.103 -9.264 -6.999 19 HA PRO 8 HA PRO 8 -1.739 -6.103 -11.773 20 1HB PRO 8 1HB PRO 8 -2.211 -4.576 -14.166 21 2HB PRO 8 2HB PRO 8 -1.402 -6.137 -14.013 22 1HG PRO 8 1HG PRO 8 -4.002 -5.588 -15.116 23 2HG PRO 8 2HG PRO 8 -3.182 -7.145 -14.989 24 1HD PRO 8 1HD PRO 8 -5.454 -6.224 -13.477 25 2HD PRO 8 2HD PRO 8 -4.599 -7.777 -13.317 26 HA PRO 9 HA PRO 9 -1.886 -2.075 -9.994 27 1HB PRO 9 1HB PRO 9 0.524 -1.174 -11.284 28 2HB PRO 9 2HB PRO 9 0.331 -1.772 -9.634 29 1HG PRO 9 1HG PRO 9 1.600 -3.086 -11.851 30 2HG PRO 9 2HG PRO 9 1.403 -3.687 -10.202 31 1HD PRO 9 1HD PRO 9 0.041 -4.577 -12.589 32 2HD PRO 9 2HD PRO 9 -0.152 -5.187 -10.929 33 H ILE 10 H ILE 10 -2.486 0.082 -10.575 34 HA ILE 10 HA ILE 10 -2.949 0.505 -13.506 35 HB ILE 10 HB ILE 10 -4.347 1.464 -10.994 36 1HG1 ILE 10 1HG1 ILE 10 -4.904 -0.816 -11.645 37 2HG1 ILE 10 2HG1 ILE 10 -6.264 0.236 -12.035 38 1HG2 ILE 10 1HG2 ILE 10 -4.285 2.588 -13.700 39 2HG2 ILE 10 2HG2 ILE 10 -5.916 2.180 -13.166 40 3HG2 ILE 10 3HG2 ILE 10 -4.926 3.284 -12.211 41 1HD1 ILE 10 1HD1 ILE 10 -5.105 0.445 -14.371 42 2HD1 ILE 10 2HD1 ILE 10 -4.258 -1.026 -13.891 43 3HD1 ILE 10 3HD1 ILE 10 -6.018 -1.018 -14.003 44 H CYS 11 H CYS 11 -1.980 2.280 -14.452 45 HA CYS 11 HA CYS 11 -0.876 4.414 -12.668 46 1HB CYS 11 1HB CYS 11 0.758 2.558 -13.408 47 2HB CYS 11 2HB CYS 11 0.607 3.240 -15.027 48 H PHE 12 H PHE 12 -0.723 6.484 -13.708 49 HA PHE 12 HA PHE 12 -2.387 6.719 -16.180 50 1HB PHE 12 1HB PHE 12 -1.682 8.492 -13.843 51 2HB PHE 12 2HB PHE 12 -2.354 9.182 -15.320 52 HD1 PHE 12 HD1 PHE 12 -2.963 6.508 -12.772 53 HD2 PHE 12 HD2 PHE 12 -4.677 9.157 -15.689 54 HE1 PHE 12 HE1 PHE 12 -5.237 5.828 -12.054 55 HE2 PHE 12 HE2 PHE 12 -6.951 8.476 -14.970 56 HZ PHE 12 HZ PHE 12 -7.231 6.812 -13.152 57 HA PRO 13 HA PRO 13 0.927 8.116 -18.701 58 1HB PRO 13 1HB PRO 13 -0.309 10.586 -19.506 59 2HB PRO 13 2HB PRO 13 -0.239 9.063 -20.397 60 1HG PRO 13 1HG PRO 13 -2.519 10.253 -19.119 61 2HG PRO 13 2HG PRO 13 -2.445 8.727 -20.003 62 1HD PRO 13 1HD PRO 13 -2.720 9.117 -17.153 63 2HD PRO 13 2HD PRO 13 -2.660 7.579 -18.045 64 H ASP 14 H ASP 14 -0.210 10.010 -16.077 65 HA ASP 14 HA ASP 14 1.683 12.213 -16.284 66 1HB ASP 14 1HB ASP 14 0.882 12.567 -13.909 67 2HB ASP 14 2HB ASP 14 -0.419 12.442 -15.096 68 H GLY 1 H GLY 1 2.119 8.959 -15.619 69 1HA GLY 1 1HA GLY 1 4.777 9.474 -14.472 70 2HA GLY 1 2HA GLY 1 4.159 7.905 -14.992 71 H ARG 2 H ARG 2 1.632 8.428 -13.397 72 HA ARG 2 HA ARG 2 2.775 7.987 -10.657 73 1HB ARG 2 1HB ARG 2 0.152 9.160 -11.633 74 2HB ARG 2 2HB ARG 2 0.514 8.849 -9.935 75 1HG ARG 2 1HG ARG 2 2.500 10.331 -10.110 76 2HG ARG 2 2HG ARG 2 2.079 10.674 -11.787 77 1HD ARG 2 1HD ARG 2 -0.144 11.546 -10.990 78 2HD ARG 2 2HD ARG 2 0.431 11.345 -9.323 79 HE ARG 2 HE ARG 2 1.922 13.170 -9.670 80 1HH1 ARG 2 1HH1 ARG 2 -0.237 14.100 -11.621 81 2HH1 ARG 2 2HH1 ARG 2 0.719 14.486 -13.013 82 1HH2 ARG 2 1HH2 ARG 2 3.518 12.769 -11.896 83 2HH2 ARG 2 2HH2 ARG 2 2.845 13.733 -13.168 84 H CYS 3 H CYS 3 2.758 5.779 -10.326 85 HA CYS 3 HA CYS 3 0.471 4.181 -11.387 86 1HB CYS 3 1HB CYS 3 3.113 3.339 -10.152 87 2HB CYS 3 2HB CYS 3 1.989 2.300 -11.028 88 H THR 4 H THR 4 -0.792 2.898 -9.968 89 HA THR 4 HA THR 4 -0.884 3.831 -7.170 90 HB THR 4 HB THR 4 -2.992 2.573 -7.173 91 HG1 THR 4 HG1 THR 4 -1.770 1.416 -9.377 92 1HG2 THR 4 1HG2 THR 4 -2.276 4.540 -9.215 93 2HG2 THR 4 2HG2 THR 4 -3.661 3.552 -9.680 94 3HG2 THR 4 3HG2 THR 4 -3.699 4.470 -8.174 95 H LYS 5 H LYS 5 -1.504 1.822 -5.607 96 HA LYS 5 HA LYS 5 0.906 0.211 -5.401 97 1HB LYS 5 1HB LYS 5 -1.764 0.240 -3.959 98 2HB LYS 5 2HB LYS 5 -0.383 -0.728 -3.443 99 1HG LYS 5 1HG LYS 5 0.973 1.304 -3.192 100 2HG LYS 5 2HG LYS 5 -0.374 2.289 -3.763 101 1HD LYS 5 1HD LYS 5 -1.737 1.529 -1.845 102 2HD LYS 5 2HD LYS 5 -0.383 0.555 -1.273 103 1HE LYS 5 1HE LYS 5 0.772 2.391 -0.495 104 2HE LYS 5 2HE LYS 5 0.182 3.438 -1.800 105 1HZ LYS 5 1HZ LYS 5 -1.727 2.330 0.149 106 2HZ LYS 5 2HZ LYS 5 -0.791 3.675 0.597 107 3HZ LYS 5 3HZ LYS 5 -1.822 3.772 -0.746 No H/Q in entry = 107 Start of MODEL 14 1 H1 SER 6 H1 SER 6 -4.489 -1.942 -11.182 2 H2 SER 6 H2 SER 6 -6.087 -1.496 -10.814 3 H3 SER 6 H3 SER 6 -4.884 -0.307 -10.939 4 HA SER 6 HA SER 6 -3.961 -0.799 -8.904 5 1HB SER 6 1HB SER 6 -5.797 -0.422 -7.580 6 2HB SER 6 2HB SER 6 -6.628 -0.322 -9.133 7 HG SER 6 HG SER 6 -6.520 -2.439 -7.292 8 H ILE 7 H ILE 7 -5.396 -3.532 -10.498 9 HA ILE 7 HA ILE 7 -3.612 -5.400 -9.176 10 HB ILE 7 HB ILE 7 -5.222 -4.996 -7.368 11 1HG1 ILE 7 1HG1 ILE 7 -6.308 -7.584 -8.105 12 2HG1 ILE 7 2HG1 ILE 7 -4.588 -7.497 -8.482 13 1HG2 ILE 7 1HG2 ILE 7 -7.038 -4.693 -9.457 14 2HG2 ILE 7 2HG2 ILE 7 -7.529 -6.205 -8.693 15 3HG2 ILE 7 3HG2 ILE 7 -7.436 -4.725 -7.739 16 1HD1 ILE 7 1HD1 ILE 7 -5.643 -6.543 -5.823 17 2HD1 ILE 7 2HD1 ILE 7 -5.265 -8.244 -6.092 18 3HD1 ILE 7 3HD1 ILE 7 -3.999 -7.025 -6.245 19 HA PRO 8 HA PRO 8 -2.266 -6.257 -10.414 20 1HB PRO 8 1HB PRO 8 -1.593 -5.500 -13.107 21 2HB PRO 8 2HB PRO 8 -1.169 -6.987 -12.256 22 1HG PRO 8 1HG PRO 8 -3.077 -6.642 -14.383 23 2HG PRO 8 2HG PRO 8 -2.633 -8.135 -13.552 24 1HD PRO 8 1HD PRO 8 -5.100 -6.667 -13.331 25 2HD PRO 8 2HD PRO 8 -4.634 -8.145 -12.458 26 HA PRO 9 HA PRO 9 -2.365 -1.882 -9.913 27 1HB PRO 9 1HB PRO 9 0.465 -1.559 -10.311 28 2HB PRO 9 2HB PRO 9 -0.418 -1.620 -8.785 29 1HG PRO 9 1HG PRO 9 1.321 -3.616 -9.898 30 2HG PRO 9 2HG PRO 9 0.440 -3.675 -8.370 31 1HD PRO 9 1HD PRO 9 -0.097 -5.168 -10.782 32 2HD PRO 9 2HD PRO 9 -0.989 -5.223 -9.243 33 H ILE 10 H ILE 10 -2.295 0.046 -11.197 34 HA ILE 10 HA ILE 10 -1.363 -0.324 -14.027 35 HB ILE 10 HB ILE 10 -3.843 -0.452 -13.660 36 1HG1 ILE 10 1HG1 ILE 10 -3.635 2.113 -15.072 37 2HG1 ILE 10 2HG1 ILE 10 -2.433 0.933 -15.598 38 1HG2 ILE 10 1HG2 ILE 10 -3.763 1.179 -11.708 39 2HG2 ILE 10 2HG2 ILE 10 -3.607 2.469 -12.901 40 3HG2 ILE 10 3HG2 ILE 10 -5.056 1.464 -12.874 41 1HD1 ILE 10 1HD1 ILE 10 -4.543 -0.696 -15.553 42 2HD1 ILE 10 2HD1 ILE 10 -5.417 0.818 -15.780 43 3HD1 ILE 10 3HD1 ILE 10 -4.203 0.316 -16.957 44 H CYS 11 H CYS 11 -0.749 1.725 -15.089 45 HA CYS 11 HA CYS 11 0.052 3.855 -13.129 46 1HB CYS 11 1HB CYS 11 1.452 2.581 -15.486 47 2HB CYS 11 2HB CYS 11 1.973 4.135 -14.836 48 H PHE 12 H PHE 12 -0.455 5.962 -13.729 49 HA PHE 12 HA PHE 12 -2.103 6.304 -16.176 50 1HB PHE 12 1HB PHE 12 -1.554 7.875 -13.654 51 2HB PHE 12 2HB PHE 12 -2.437 8.588 -15.004 52 HD1 PHE 12 HD1 PHE 12 -2.403 5.629 -12.719 53 HD2 PHE 12 HD2 PHE 12 -4.735 8.149 -15.299 54 HE1 PHE 12 HE1 PHE 12 -4.470 4.478 -11.974 55 HE2 PHE 12 HE2 PHE 12 -6.802 7.000 -14.554 56 HZ PHE 12 HZ PHE 12 -6.670 5.164 -12.892 57 HA PRO 13 HA PRO 13 0.889 8.471 -18.550 58 1HB PRO 13 1HB PRO 13 -0.745 10.788 -19.041 59 2HB PRO 13 2HB PRO 13 -0.462 9.410 -20.108 60 1HG PRO 13 1HG PRO 13 -2.860 10.066 -18.669 61 2HG PRO 13 2HG PRO 13 -2.576 8.686 -19.732 62 1HD PRO 13 1HD PRO 13 -2.823 8.687 -16.854 63 2HD PRO 13 2HD PRO 13 -2.544 7.295 -17.926 64 H ASP 14 H ASP 14 -0.541 9.949 -15.767 65 HA ASP 14 HA ASP 14 1.113 12.354 -15.737 66 1HB ASP 14 1HB ASP 14 0.113 12.575 -13.481 67 2HB ASP 14 2HB ASP 14 -1.115 12.171 -14.680 68 H GLY 1 H GLY 1 1.968 9.192 -15.423 69 1HA GLY 1 1HA GLY 1 4.437 9.862 -14.008 70 2HA GLY 1 2HA GLY 1 4.029 8.287 -14.690 71 H ARG 2 H ARG 2 1.367 8.436 -13.214 72 HA ARG 2 HA ARG 2 2.397 7.880 -10.452 73 1HB ARG 2 1HB ARG 2 -0.277 8.837 -11.518 74 2HB ARG 2 2HB ARG 2 -0.001 8.404 -9.830 75 1HG ARG 2 1HG ARG 2 1.848 10.094 -9.756 76 2HG ARG 2 2HG ARG 2 1.415 10.583 -11.394 77 1HD ARG 2 1HD ARG 2 -0.903 11.099 -10.575 78 2HD ARG 2 2HD ARG 2 -0.352 10.747 -8.926 79 HE ARG 2 HE ARG 2 1.184 12.643 -9.094 80 1HH1 ARG 2 1HH1 ARG 2 -1.587 13.577 -10.170 81 2HH1 ARG 2 2HH1 ARG 2 -1.074 14.542 -11.514 82 1HH2 ARG 2 1HH2 ARG 2 2.155 13.279 -11.531 83 2HH2 ARG 2 2HH2 ARG 2 1.044 14.373 -12.285 84 H CYS 3 H CYS 3 1.675 5.945 -9.437 85 HA CYS 3 HA CYS 3 0.088 4.058 -11.139 86 1HB CYS 3 1HB CYS 3 2.657 3.516 -9.613 87 2HB CYS 3 2HB CYS 3 1.728 2.308 -10.499 88 H THR 4 H THR 4 -1.013 2.394 -9.872 89 HA THR 4 HA THR 4 -2.077 3.333 -7.363 90 HB THR 4 HB THR 4 -2.928 0.843 -7.430 91 HG1 THR 4 HG1 THR 4 -1.930 -0.237 -8.912 92 1HG2 THR 4 1HG2 THR 4 -3.550 2.819 -9.642 93 2HG2 THR 4 2HG2 THR 4 -4.578 1.470 -9.158 94 3HG2 THR 4 3HG2 THR 4 -4.285 2.802 -8.039 95 H LYS 5 H LYS 5 0.479 1.055 -8.229 96 HA LYS 5 HA LYS 5 1.464 1.103 -5.441 97 1HB LYS 5 1HB LYS 5 -0.324 -0.695 -5.705 98 2HB LYS 5 2HB LYS 5 0.773 -1.504 -6.823 99 1HG LYS 5 1HG LYS 5 2.511 -1.545 -5.036 100 2HG LYS 5 2HG LYS 5 1.348 -0.824 -3.923 101 1HD LYS 5 1HD LYS 5 -0.182 -2.778 -4.396 102 2HD LYS 5 2HD LYS 5 1.141 -3.518 -5.296 103 1HE LYS 5 1HE LYS 5 1.726 -4.417 -3.272 104 2HE LYS 5 2HE LYS 5 2.368 -2.802 -2.916 105 1HZ LYS 5 1HZ LYS 5 -0.439 -3.682 -2.457 106 2HZ LYS 5 2HZ LYS 5 0.740 -3.522 -1.244 107 3HZ LYS 5 3HZ LYS 5 0.196 -2.153 -2.091 No H/Q in entry = 107 Start of MODEL 15 1 H1 SER 6 H1 SER 6 -2.630 -1.512 -8.276 2 H2 SER 6 H2 SER 6 -3.544 -0.784 -9.505 3 H3 SER 6 H3 SER 6 -3.863 -0.413 -7.878 4 HA SER 6 HA SER 6 -5.071 -2.283 -7.528 5 1HB SER 6 1HB SER 6 -5.485 -0.977 -9.896 6 2HB SER 6 2HB SER 6 -5.291 -2.637 -10.459 7 HG SER 6 HG SER 6 -6.797 -2.982 -8.484 8 H ILE 7 H ILE 7 -5.374 -4.364 -9.711 9 HA ILE 7 HA ILE 7 -2.772 -5.755 -9.744 10 HB ILE 7 HB ILE 7 -3.714 -6.154 -7.482 11 1HG1 ILE 7 1HG1 ILE 7 -3.797 -8.690 -7.657 12 2HG1 ILE 7 2HG1 ILE 7 -3.689 -8.492 -9.407 13 1HG2 ILE 7 1HG2 ILE 7 -6.138 -6.032 -8.631 14 2HG2 ILE 7 2HG2 ILE 7 -5.929 -7.783 -8.638 15 3HG2 ILE 7 3HG2 ILE 7 -5.864 -6.894 -7.116 16 1HD1 ILE 7 1HD1 ILE 7 -1.614 -7.024 -8.908 17 2HD1 ILE 7 2HD1 ILE 7 -1.653 -7.757 -7.305 18 3HD1 ILE 7 3HD1 ILE 7 -1.441 -8.770 -8.733 19 HA PRO 8 HA PRO 8 -1.761 -6.224 -11.401 20 1HB PRO 8 1HB PRO 8 -2.012 -4.978 -13.981 21 2HB PRO 8 2HB PRO 8 -1.173 -6.477 -13.574 22 1HG PRO 8 1HG PRO 8 -3.634 -6.172 -15.020 23 2HG PRO 8 2HG PRO 8 -2.800 -7.671 -14.604 24 1HD PRO 8 1HD PRO 8 -5.253 -6.632 -13.483 25 2HD PRO 8 2HD PRO 8 -4.422 -8.151 -13.075 26 HA PRO 9 HA PRO 9 -2.286 -2.049 -10.085 27 1HB PRO 9 1HB PRO 9 0.275 -1.206 -11.088 28 2HB PRO 9 2HB PRO 9 -0.157 -1.634 -9.431 29 1HG PRO 9 1HG PRO 9 1.459 -3.129 -11.276 30 2HG PRO 9 2HG PRO 9 1.026 -3.559 -9.621 31 1HD PRO 9 1HD PRO 9 0.059 -4.742 -12.072 32 2HD PRO 9 2HD PRO 9 -0.373 -5.181 -10.402 33 H ILE 10 H ILE 10 -2.371 0.207 -10.986 34 HA ILE 10 HA ILE 10 -2.603 0.211 -13.980 35 HB ILE 10 HB ILE 10 -4.268 1.588 -11.847 36 1HG1 ILE 10 1HG1 ILE 10 -5.006 -0.575 -13.842 37 2HG1 ILE 10 2HG1 ILE 10 -4.633 -0.874 -12.144 38 1HG2 ILE 10 1HG2 ILE 10 -4.319 1.702 -14.870 39 2HG2 ILE 10 2HG2 ILE 10 -5.711 2.150 -13.884 40 3HG2 ILE 10 3HG2 ILE 10 -4.200 3.048 -13.738 41 1HD1 ILE 10 1HD1 ILE 10 -6.467 1.048 -11.807 42 2HD1 ILE 10 2HD1 ILE 10 -7.026 0.429 -13.362 43 3HD1 ILE 10 3HD1 ILE 10 -6.921 -0.649 -11.969 44 H CYS 11 H CYS 11 -1.577 1.915 -15.016 45 HA CYS 11 HA CYS 11 -0.260 3.968 -13.266 46 1HB CYS 11 1HB CYS 11 0.510 2.610 -15.861 47 2HB CYS 11 2HB CYS 11 1.358 4.032 -15.254 48 H PHE 12 H PHE 12 -0.174 6.150 -14.128 49 HA PHE 12 HA PHE 12 -2.268 6.705 -16.206 50 1HB PHE 12 1HB PHE 12 -1.440 8.048 -13.635 51 2HB PHE 12 2HB PHE 12 -2.309 8.949 -14.876 52 HD1 PHE 12 HD1 PHE 12 -2.469 5.971 -12.655 53 HD2 PHE 12 HD2 PHE 12 -4.645 8.611 -15.252 54 HE1 PHE 12 HE1 PHE 12 -4.603 4.966 -11.888 55 HE2 PHE 12 HE2 PHE 12 -6.778 7.606 -14.486 56 HZ PHE 12 HZ PHE 12 -6.757 5.783 -12.804 57 HA PRO 13 HA PRO 13 0.662 8.831 -18.695 58 1HB PRO 13 1HB PRO 13 -0.836 11.279 -18.902 59 2HB PRO 13 2HB PRO 13 -0.742 9.960 -20.070 60 1HG PRO 13 1HG PRO 13 -2.961 10.675 -18.393 61 2HG PRO 13 2HG PRO 13 -2.865 9.354 -19.560 62 1HD PRO 13 1HD PRO 13 -2.876 9.177 -16.677 63 2HD PRO 13 2HD PRO 13 -2.784 7.845 -17.853 64 H ASP 14 H ASP 14 -0.354 10.111 -15.674 65 HA ASP 14 HA ASP 14 1.399 12.451 -15.639 66 1HB ASP 14 1HB ASP 14 0.671 12.504 -13.268 67 2HB ASP 14 2HB ASP 14 -0.701 12.269 -14.350 68 H GLY 1 H GLY 1 2.150 9.261 -15.725 69 1HA GLY 1 1HA GLY 1 4.794 9.686 -14.589 70 2HA GLY 1 2HA GLY 1 4.197 8.177 -15.278 71 H ARG 2 H ARG 2 1.768 8.476 -13.416 72 HA ARG 2 HA ARG 2 3.137 7.602 -10.890 73 1HB ARG 2 1HB ARG 2 0.510 9.015 -11.433 74 2HB ARG 2 2HB ARG 2 0.964 8.394 -9.846 75 1HG ARG 2 1HG ARG 2 2.982 9.807 -9.862 76 2HG ARG 2 2HG ARG 2 2.551 10.414 -11.461 77 1HD ARG 2 1HD ARG 2 1.791 12.054 -9.840 78 2HD ARG 2 2HD ARG 2 0.348 11.205 -10.429 79 HE ARG 2 HE ARG 2 1.684 10.059 -8.043 80 1HH1 ARG 2 1HH1 ARG 2 0.192 12.855 -7.909 81 2HH1 ARG 2 2HH1 ARG 2 -1.300 12.331 -7.201 82 1HH2 ARG 2 1HH2 ARG 2 -0.697 8.965 -7.779 83 2HH2 ARG 2 2HH2 ARG 2 -1.802 10.128 -7.128 84 H CYS 3 H CYS 3 2.454 5.638 -9.991 85 HA CYS 3 HA CYS 3 0.339 4.136 -11.501 86 1HB CYS 3 1HB CYS 3 3.003 3.249 -10.353 87 2HB CYS 3 2HB CYS 3 1.791 2.131 -10.979 88 H THR 4 H THR 4 -0.937 2.680 -10.197 89 HA THR 4 HA THR 4 -1.461 3.592 -7.499 90 HB THR 4 HB THR 4 -3.128 1.781 -7.576 91 HG1 THR 4 HG1 THR 4 -1.391 0.898 -9.550 92 1HG2 THR 4 1HG2 THR 4 -2.707 3.531 -9.970 93 2HG2 THR 4 2HG2 THR 4 -4.023 2.358 -9.993 94 3HG2 THR 4 3HG2 THR 4 -3.972 3.602 -8.743 95 H LYS 5 H LYS 5 -1.448 2.020 -5.611 96 HA LYS 5 HA LYS 5 1.037 0.343 -5.686 97 1HB LYS 5 1HB LYS 5 0.971 2.393 -4.236 98 2HB LYS 5 2HB LYS 5 -0.372 1.672 -3.349 99 1HG LYS 5 1HG LYS 5 1.078 -0.280 -2.804 100 2HG LYS 5 2HG LYS 5 2.422 0.518 -3.622 101 1HD LYS 5 1HD LYS 5 2.114 2.468 -2.053 102 2HD LYS 5 2HD LYS 5 0.937 1.497 -1.168 103 1HE LYS 5 1HE LYS 5 2.688 -0.243 -0.795 104 2HE LYS 5 2HE LYS 5 3.865 0.803 -1.612 105 1HZ LYS 5 1HZ LYS 5 2.209 2.032 0.453 106 2HZ LYS 5 2HZ LYS 5 3.396 0.945 0.996 107 3HZ LYS 5 3HZ LYS 5 3.844 2.298 0.076 No H/Q in entry = 107 Start of MODEL 16 1 H1 SER 6 H1 SER 6 -5.233 -1.984 -10.572 2 H2 SER 6 H2 SER 6 -6.253 -2.019 -9.214 3 H3 SER 6 H3 SER 6 -5.603 -0.545 -9.754 4 HA SER 6 HA SER 6 -3.417 -1.138 -9.078 5 1HB SER 6 1HB SER 6 -5.639 -0.790 -7.451 6 2HB SER 6 2HB SER 6 -4.847 -2.199 -6.746 7 HG SER 6 HG SER 6 -2.861 -0.845 -6.982 8 H ILE 7 H ILE 7 -5.482 -3.782 -9.692 9 HA ILE 7 HA ILE 7 -3.224 -5.675 -9.297 10 HB ILE 7 HB ILE 7 -4.424 -5.699 -7.183 11 1HG1 ILE 7 1HG1 ILE 7 -5.539 -8.084 -7.451 12 2HG1 ILE 7 2HG1 ILE 7 -4.807 -8.011 -9.054 13 1HG2 ILE 7 1HG2 ILE 7 -6.699 -5.328 -8.947 14 2HG2 ILE 7 2HG2 ILE 7 -6.982 -6.662 -7.830 15 3HG2 ILE 7 3HG2 ILE 7 -6.586 -5.061 -7.208 16 1HD1 ILE 7 1HD1 ILE 7 -2.665 -7.253 -7.715 17 2HD1 ILE 7 2HD1 ILE 7 -3.477 -8.043 -6.363 18 3HD1 ILE 7 3HD1 ILE 7 -3.080 -8.965 -7.813 19 HA PRO 8 HA PRO 8 -2.120 -6.338 -10.819 20 1HB PRO 8 1HB PRO 8 -1.887 -5.263 -13.477 21 2HB PRO 8 2HB PRO 8 -1.342 -6.834 -12.888 22 1HG PRO 8 1HG PRO 8 -3.551 -6.277 -14.634 23 2HG PRO 8 2HG PRO 8 -3.009 -7.847 -14.041 24 1HD PRO 8 1HD PRO 8 -5.382 -6.387 -13.281 25 2HD PRO 8 2HD PRO 8 -4.840 -7.974 -12.690 26 HA PRO 9 HA PRO 9 -1.984 -2.039 -9.881 27 1HB PRO 9 1HB PRO 9 0.626 -1.584 -11.003 28 2HB PRO 9 2HB PRO 9 0.200 -1.842 -9.309 29 1HG PRO 9 1HG PRO 9 1.562 -3.647 -11.081 30 2HG PRO 9 2HG PRO 9 1.138 -3.904 -9.387 31 1HD PRO 9 1HD PRO 9 -0.044 -5.135 -11.715 32 2HD PRO 9 2HD PRO 9 -0.474 -5.390 -10.007 33 H ILE 10 H ILE 10 -2.321 0.002 -10.913 34 HA ILE 10 HA ILE 10 -2.300 -0.072 -13.913 35 HB ILE 10 HB ILE 10 -4.118 1.357 -11.946 36 1HG1 ILE 10 1HG1 ILE 10 -4.640 -0.974 -13.818 37 2HG1 ILE 10 2HG1 ILE 10 -4.446 -1.102 -12.070 38 1HG2 ILE 10 1HG2 ILE 10 -3.708 2.549 -14.133 39 2HG2 ILE 10 2HG2 ILE 10 -4.354 1.131 -14.961 40 3HG2 ILE 10 3HG2 ILE 10 -5.387 2.069 -13.880 41 1HD1 ILE 10 1HD1 ILE 10 -6.359 0.608 -11.900 42 2HD1 ILE 10 2HD1 ILE 10 -6.653 0.277 -13.607 43 3HD1 ILE 10 3HD1 ILE 10 -6.798 -1.020 -12.420 44 H CYS 11 H CYS 11 -1.208 1.592 -14.934 45 HA CYS 11 HA CYS 11 -0.021 3.717 -13.186 46 1HB CYS 11 1HB CYS 11 0.833 2.199 -15.634 47 2HB CYS 11 2HB CYS 11 1.524 3.792 -15.329 48 H PHE 12 H PHE 12 0.126 5.890 -14.158 49 HA PHE 12 HA PHE 12 -1.952 6.379 -16.270 50 1HB PHE 12 1HB PHE 12 -1.234 8.071 -13.853 51 2HB PHE 12 2HB PHE 12 -2.533 8.396 -15.001 52 HD1 PHE 12 HD1 PHE 12 -4.042 6.127 -15.429 53 HD2 PHE 12 HD2 PHE 12 -1.929 7.157 -11.833 54 HE1 PHE 12 HE1 PHE 12 -5.565 4.674 -14.118 55 HE2 PHE 12 HE2 PHE 12 -3.452 5.704 -10.522 56 HZ PHE 12 HZ PHE 12 -5.270 4.463 -11.664 57 HA PRO 13 HA PRO 13 1.052 8.607 -18.577 58 1HB PRO 13 1HB PRO 13 -0.622 10.904 -19.022 59 2HB PRO 13 2HB PRO 13 -0.307 9.558 -20.121 60 1HG PRO 13 1HG PRO 13 -2.726 10.131 -18.683 61 2HG PRO 13 2HG PRO 13 -2.410 8.785 -19.779 62 1HD PRO 13 1HD PRO 13 -2.676 8.704 -16.905 63 2HD PRO 13 2HD PRO 13 -2.359 7.347 -18.012 64 H ASP 14 H ASP 14 -0.362 9.914 -15.728 65 HA ASP 14 HA ASP 14 1.201 12.387 -15.637 66 1HB ASP 14 1HB ASP 14 0.220 12.490 -13.361 67 2HB ASP 14 2HB ASP 14 -1.007 12.102 -14.567 68 H GLY 1 H GLY 1 2.104 9.205 -15.372 69 1HA GLY 1 1HA GLY 1 4.602 9.906 -14.022 70 2HA GLY 1 2HA GLY 1 4.196 8.328 -14.696 71 H ARG 2 H ARG 2 1.570 8.442 -13.156 72 HA ARG 2 HA ARG 2 2.714 7.695 -10.483 73 1HB ARG 2 1HB ARG 2 1.488 9.873 -10.533 74 2HB ARG 2 2HB ARG 2 0.057 9.023 -11.114 75 1HG ARG 2 1HG ARG 2 0.062 7.630 -9.068 76 2HG ARG 2 2HG ARG 2 1.481 8.501 -8.485 77 1HD ARG 2 1HD ARG 2 0.162 10.629 -8.563 78 2HD ARG 2 2HD ARG 2 -1.266 9.687 -9.027 79 HE ARG 2 HE ARG 2 0.161 8.764 -6.608 80 1HH1 ARG 2 1HH1 ARG 2 -1.804 11.366 -7.422 81 2HH1 ARG 2 2HH1 ARG 2 -3.044 11.017 -6.265 82 1HH2 ARG 2 1HH2 ARG 2 -1.706 7.950 -5.358 83 2HH2 ARG 2 2HH2 ARG 2 -2.989 9.083 -5.097 84 H CYS 3 H CYS 3 2.062 5.687 -9.743 85 HA CYS 3 HA CYS 3 -0.110 4.292 -11.276 86 1HB CYS 3 1HB CYS 3 2.423 3.167 -10.037 87 2HB CYS 3 2HB CYS 3 1.245 2.262 -10.986 88 H THR 4 H THR 4 -1.466 2.891 -10.015 89 HA THR 4 HA THR 4 -2.192 3.727 -7.423 90 HB THR 4 HB THR 4 -3.402 1.539 -7.392 91 HG1 THR 4 HG1 THR 4 -1.612 1.091 -9.512 92 1HG2 THR 4 1HG2 THR 4 -3.678 3.658 -9.192 93 2HG2 THR 4 2HG2 THR 4 -3.803 2.212 -10.193 94 3HG2 THR 4 3HG2 THR 4 -4.892 2.432 -8.825 95 H LYS 5 H LYS 5 -0.079 1.027 -8.387 96 HA LYS 5 HA LYS 5 1.353 1.212 -5.810 97 1HB LYS 5 1HB LYS 5 -0.631 -0.180 -5.343 98 2HB LYS 5 2HB LYS 5 -0.207 -1.243 -6.685 99 1HG LYS 5 1HG LYS 5 1.941 -1.775 -5.564 100 2HG LYS 5 2HG LYS 5 1.475 -0.747 -4.209 101 1HD LYS 5 1HD LYS 5 -0.502 -2.169 -3.808 102 2HD LYS 5 2HD LYS 5 -0.039 -3.197 -5.164 103 1HE LYS 5 1HE LYS 5 1.941 -3.950 -4.039 104 2HE LYS 5 2HE LYS 5 1.794 -2.691 -2.799 105 1HZ LYS 5 1HZ LYS 5 -0.463 -4.517 -3.269 106 2HZ LYS 5 2HZ LYS 5 0.857 -5.079 -2.360 107 3HZ LYS 5 3HZ LYS 5 -0.009 -3.717 -1.841 No H/Q in entry = 107 Start of MODEL 17 1 H1 SER 6 H1 SER 6 -4.104 -1.872 -11.462 2 H2 SER 6 H2 SER 6 -5.770 -2.021 -11.761 3 H3 SER 6 H3 SER 6 -5.103 -0.498 -11.421 4 HA SER 6 HA SER 6 -4.766 -0.996 -9.171 5 1HB SER 6 1HB SER 6 -7.313 -2.373 -10.080 6 2HB SER 6 2HB SER 6 -7.041 -1.592 -8.522 7 HG SER 6 HG SER 6 -6.474 0.289 -10.049 8 H ILE 7 H ILE 7 -5.498 -3.903 -11.065 9 HA ILE 7 HA ILE 7 -3.710 -5.510 -9.383 10 HB ILE 7 HB ILE 7 -5.724 -5.459 -8.015 11 1HG1 ILE 7 1HG1 ILE 7 -6.466 -8.001 -8.538 12 2HG1 ILE 7 2HG1 ILE 7 -4.968 -7.943 -9.466 13 1HG2 ILE 7 1HG2 ILE 7 -7.000 -5.378 -10.567 14 2HG2 ILE 7 2HG2 ILE 7 -7.595 -6.804 -9.716 15 3HG2 ILE 7 3HG2 ILE 7 -7.743 -5.210 -8.976 16 1HD1 ILE 7 1HD1 ILE 7 -4.612 -6.677 -6.883 17 2HD1 ILE 7 2HD1 ILE 7 -5.219 -8.321 -6.688 18 3HD1 ILE 7 3HD1 ILE 7 -3.729 -8.032 -7.585 19 HA PRO 8 HA PRO 8 -2.003 -6.106 -10.218 20 1HB PRO 8 1HB PRO 8 -0.742 -5.245 -12.657 21 2HB PRO 8 2HB PRO 8 -0.366 -6.668 -11.682 22 1HG PRO 8 1HG PRO 8 -1.643 -6.581 -14.251 23 2HG PRO 8 2HG PRO 8 -1.280 -8.001 -13.269 24 1HD PRO 8 1HD PRO 8 -3.864 -6.812 -13.786 25 2HD PRO 8 2HD PRO 8 -3.498 -8.257 -12.814 26 HA PRO 9 HA PRO 9 -2.685 -1.771 -9.887 27 1HB PRO 9 1HB PRO 9 0.101 -1.053 -9.865 28 2HB PRO 9 2HB PRO 9 -0.991 -1.221 -8.488 29 1HG PRO 9 1HG PRO 9 1.155 -2.970 -9.277 30 2HG PRO 9 2HG PRO 9 0.084 -3.122 -7.882 31 1HD PRO 9 1HD PRO 9 0.105 -4.735 -10.266 32 2HD PRO 9 2HD PRO 9 -1.008 -4.856 -8.882 33 H ILE 10 H ILE 10 -2.675 0.144 -11.201 34 HA ILE 10 HA ILE 10 -1.411 -0.201 -13.903 35 HB ILE 10 HB ILE 10 -3.931 -0.342 -13.677 36 1HG1 ILE 10 1HG1 ILE 10 -4.349 1.369 -15.507 37 2HG1 ILE 10 2HG1 ILE 10 -2.680 1.895 -15.291 38 1HG2 ILE 10 1HG2 ILE 10 -3.985 1.420 -11.845 39 2HG2 ILE 10 2HG2 ILE 10 -3.715 2.624 -13.105 40 3HG2 ILE 10 3HG2 ILE 10 -5.176 1.639 -13.127 41 1HD1 ILE 10 1HD1 ILE 10 -2.857 -1.002 -15.512 42 2HD1 ILE 10 2HD1 ILE 10 -3.560 -0.206 -16.919 43 3HD1 ILE 10 3HD1 ILE 10 -1.892 0.132 -16.459 44 H CYS 11 H CYS 11 -0.833 1.890 -14.964 45 HA CYS 11 HA CYS 11 -0.035 3.964 -12.946 46 1HB CYS 11 1HB CYS 11 1.473 2.387 -14.686 47 2HB CYS 11 2HB CYS 11 1.380 3.945 -15.505 48 H PHE 12 H PHE 12 -0.673 6.075 -13.364 49 HA PHE 12 HA PHE 12 -2.588 6.534 -15.547 50 1HB PHE 12 1HB PHE 12 -1.424 8.407 -13.462 51 2HB PHE 12 2HB PHE 12 -2.906 8.656 -14.384 52 HD1 PHE 12 HD1 PHE 12 -4.251 6.103 -14.339 53 HD2 PHE 12 HD2 PHE 12 -1.994 8.019 -11.226 54 HE1 PHE 12 HE1 PHE 12 -5.526 4.834 -12.634 55 HE2 PHE 12 HE2 PHE 12 -3.270 6.748 -9.520 56 HZ PHE 12 HZ PHE 12 -5.035 5.156 -10.224 57 HA PRO 13 HA PRO 13 0.058 8.430 -18.496 58 1HB PRO 13 1HB PRO 13 -1.518 10.820 -18.787 59 2HB PRO 13 2HB PRO 13 -1.495 9.397 -19.832 60 1HG PRO 13 1HG PRO 13 -3.565 10.228 -18.017 61 2HG PRO 13 2HG PRO 13 -3.550 8.813 -19.074 62 1HD PRO 13 1HD PRO 13 -3.297 8.875 -16.203 63 2HD PRO 13 2HD PRO 13 -3.257 7.451 -17.269 64 H ASP 14 H ASP 14 -0.710 9.974 -15.525 65 HA ASP 14 HA ASP 14 0.927 12.360 -15.852 66 1HB ASP 14 1HB ASP 14 0.534 12.503 -13.390 67 2HB ASP 14 2HB ASP 14 -0.956 12.205 -14.286 68 H GLY 1 H GLY 1 1.687 9.082 -15.469 69 1HA GLY 1 1HA GLY 1 4.488 9.768 -14.843 70 2HA GLY 1 2HA GLY 1 3.908 8.194 -15.386 71 H ARG 2 H ARG 2 1.771 8.015 -13.425 72 HA ARG 2 HA ARG 2 3.434 7.507 -10.983 73 1HB ARG 2 1HB ARG 2 0.675 8.746 -11.221 74 2HB ARG 2 2HB ARG 2 1.422 8.283 -9.692 75 1HG ARG 2 1HG ARG 2 3.336 9.797 -10.209 76 2HG ARG 2 2HG ARG 2 2.503 10.307 -11.677 77 1HD ARG 2 1HD ARG 2 0.599 11.124 -10.308 78 2HD ARG 2 2HD ARG 2 1.461 10.634 -8.837 79 HE ARG 2 HE ARG 2 3.352 12.174 -9.836 80 1HH1 ARG 2 1HH1 ARG 2 0.196 12.879 -8.959 81 2HH1 ARG 2 2HH1 ARG 2 0.174 14.474 -9.634 82 1HH2 ARG 2 1HH2 ARG 2 3.232 14.127 -11.232 83 2HH2 ARG 2 2HH2 ARG 2 1.894 15.180 -10.921 84 H CYS 3 H CYS 3 3.119 5.469 -10.137 85 HA CYS 3 HA CYS 3 1.009 3.767 -11.393 86 1HB CYS 3 1HB CYS 3 3.727 3.397 -10.209 87 2HB CYS 3 2HB CYS 3 2.600 2.047 -10.084 88 H THR 4 H THR 4 -0.421 2.560 -10.047 89 HA THR 4 HA THR 4 -0.953 3.740 -7.408 90 HB THR 4 HB THR 4 -2.881 2.100 -7.549 91 HG1 THR 4 HG1 THR 4 -1.954 0.519 -8.801 92 1HG2 THR 4 1HG2 THR 4 -2.451 4.477 -8.899 93 2HG2 THR 4 2HG2 THR 4 -3.006 3.391 -10.173 94 3HG2 THR 4 3HG2 THR 4 -4.003 3.656 -8.743 95 H LYS 5 H LYS 5 -1.383 2.167 -5.538 96 HA LYS 5 HA LYS 5 -0.350 0.707 -3.973 97 1HB LYS 5 1HB LYS 5 -0.505 -0.911 -6.538 98 2HB LYS 5 2HB LYS 5 -0.276 -1.606 -4.933 99 1HG LYS 5 1HG LYS 5 -2.417 -0.575 -4.205 100 2HG LYS 5 2HG LYS 5 -2.652 0.048 -5.839 101 1HD LYS 5 1HD LYS 5 -2.589 -2.280 -6.709 102 2HD LYS 5 2HD LYS 5 -2.427 -2.875 -5.057 103 1HE LYS 5 1HE LYS 5 -4.603 -1.789 -4.482 104 2HE LYS 5 2HE LYS 5 -4.773 -1.296 -6.177 105 1HZ LYS 5 1HZ LYS 5 -4.092 -4.090 -5.611 106 2HZ LYS 5 2HZ LYS 5 -5.691 -3.607 -5.321 107 3HZ LYS 5 3HZ LYS 5 -5.024 -3.441 -6.875 No H/Q in entry = 107 Start of MODEL 18 1 H1 SER 6 H1 SER 6 -5.281 -2.347 -10.532 2 H2 SER 6 H2 SER 6 -5.817 -0.890 -9.843 3 H3 SER 6 H3 SER 6 -4.325 -0.952 -10.653 4 HA SER 6 HA SER 6 -3.497 -1.149 -8.566 5 1HB SER 6 1HB SER 6 -6.264 -2.241 -7.993 6 2HB SER 6 2HB SER 6 -5.014 -2.096 -6.756 7 HG SER 6 HG SER 6 -6.314 -0.253 -6.778 8 H ILE 7 H ILE 7 -5.494 -3.930 -9.564 9 HA ILE 7 HA ILE 7 -3.072 -5.664 -9.325 10 HB ILE 7 HB ILE 7 -4.242 -5.925 -7.240 11 1HG1 ILE 7 1HG1 ILE 7 -5.515 -8.235 -8.560 12 2HG1 ILE 7 2HG1 ILE 7 -3.814 -8.016 -8.968 13 1HG2 ILE 7 1HG2 ILE 7 -6.548 -5.427 -8.934 14 2HG2 ILE 7 2HG2 ILE 7 -6.810 -6.842 -7.915 15 3HG2 ILE 7 3HG2 ILE 7 -6.406 -5.289 -7.182 16 1HD1 ILE 7 1HD1 ILE 7 -3.442 -7.728 -6.425 17 2HD1 ILE 7 2HD1 ILE 7 -5.052 -8.423 -6.245 18 3HD1 ILE 7 3HD1 ILE 7 -3.770 -9.357 -7.016 19 HA PRO 8 HA PRO 8 -1.907 -6.179 -10.851 20 1HB PRO 8 1HB PRO 8 -1.700 -4.985 -13.460 21 2HB PRO 8 2HB PRO 8 -1.062 -6.540 -12.923 22 1HG PRO 8 1HG PRO 8 -3.271 -6.058 -14.691 23 2HG PRO 8 2HG PRO 8 -2.641 -7.613 -14.144 24 1HD PRO 8 1HD PRO 8 -5.115 -6.330 -13.379 25 2HD PRO 8 2HD PRO 8 -4.488 -7.907 -12.842 26 HA PRO 9 HA PRO 9 -2.100 -1.922 -9.734 27 1HB PRO 9 1HB PRO 9 0.527 -1.271 -10.709 28 2HB PRO 9 2HB PRO 9 0.039 -1.620 -9.049 29 1HG PRO 9 1HG PRO 9 1.592 -3.270 -10.816 30 2HG PRO 9 2HG PRO 9 1.099 -3.620 -9.157 31 1HD PRO 9 1HD PRO 9 0.109 -4.817 -11.592 32 2HD PRO 9 2HD PRO 9 -0.383 -5.175 -9.920 33 H ILE 10 H ILE 10 -2.470 0.153 -10.699 34 HA ILE 10 HA ILE 10 -2.247 0.230 -13.692 35 HB ILE 10 HB ILE 10 -4.412 1.167 -11.789 36 1HG1 ILE 10 1HG1 ILE 10 -4.541 -0.702 -14.170 37 2HG1 ILE 10 2HG1 ILE 10 -4.322 -1.256 -12.510 38 1HG2 ILE 10 1HG2 ILE 10 -3.981 1.738 -14.730 39 2HG2 ILE 10 2HG2 ILE 10 -5.562 1.871 -13.959 40 3HG2 ILE 10 3HG2 ILE 10 -4.232 2.901 -13.429 41 1HD1 ILE 10 1HD1 ILE 10 -6.478 0.534 -12.391 42 2HD1 ILE 10 2HD1 ILE 10 -6.755 -0.408 -13.856 43 3HD1 ILE 10 3HD1 ILE 10 -6.568 -1.226 -12.304 44 H CYS 11 H CYS 11 -1.380 2.124 -14.543 45 HA CYS 11 HA CYS 11 -0.847 4.376 -12.634 46 1HB CYS 11 1HB CYS 11 1.136 2.931 -12.987 47 2HB CYS 11 2HB CYS 11 0.998 3.177 -14.728 48 H PHE 12 H PHE 12 -0.632 6.474 -13.713 49 HA PHE 12 HA PHE 12 -2.156 6.587 -16.282 50 1HB PHE 12 1HB PHE 12 -1.698 8.391 -13.918 51 2HB PHE 12 2HB PHE 12 -2.219 9.086 -15.453 52 HD1 PHE 12 HD1 PHE 12 -3.058 6.329 -13.056 53 HD2 PHE 12 HD2 PHE 12 -4.496 9.098 -16.009 54 HE1 PHE 12 HE1 PHE 12 -5.388 5.621 -12.586 55 HE2 PHE 12 HE2 PHE 12 -6.826 8.390 -15.538 56 HZ PHE 12 HZ PHE 12 -7.271 6.652 -13.827 57 HA PRO 13 HA PRO 13 1.241 8.061 -18.644 58 1HB PRO 13 1HB PRO 13 -0.059 10.446 -19.594 59 2HB PRO 13 2HB PRO 13 0.137 8.905 -20.433 60 1HG PRO 13 1HG PRO 13 -2.269 10.018 -19.326 61 2HG PRO 13 2HG PRO 13 -2.072 8.475 -20.162 62 1HD PRO 13 1HD PRO 13 -2.538 8.920 -17.347 63 2HD PRO 13 2HD PRO 13 -2.346 7.365 -18.190 64 H ASP 14 H ASP 14 -0.232 10.105 -16.259 65 HA ASP 14 HA ASP 14 1.721 12.273 -16.394 66 1HB ASP 14 1HB ASP 14 0.560 12.945 -14.296 67 2HB ASP 14 2HB ASP 14 -0.586 12.552 -15.578 68 H GLY 1 H GLY 1 2.104 9.119 -15.525 69 1HA GLY 1 1HA GLY 1 4.435 9.764 -13.834 70 2HA GLY 1 2HA GLY 1 4.059 8.183 -14.518 71 H ARG 2 H ARG 2 1.180 8.995 -13.365 72 HA ARG 2 HA ARG 2 1.648 8.549 -10.484 73 1HB ARG 2 1HB ARG 2 -0.045 10.136 -11.459 74 2HB ARG 2 2HB ARG 2 -0.917 8.740 -12.095 75 1HG ARG 2 1HG ARG 2 -1.179 7.855 -9.808 76 2HG ARG 2 2HG ARG 2 -0.296 9.239 -9.167 77 1HD ARG 2 1HD ARG 2 -2.042 10.757 -10.115 78 2HD ARG 2 2HD ARG 2 -2.950 9.329 -10.650 79 HE ARG 2 HE ARG 2 -3.685 9.187 -8.408 80 1HH1 ARG 2 1HH1 ARG 2 -1.906 11.778 -7.987 81 2HH1 ARG 2 2HH1 ARG 2 -1.071 11.300 -6.547 82 1HH2 ARG 2 1HH2 ARG 2 -1.991 7.967 -6.802 83 2HH2 ARG 2 2HH2 ARG 2 -1.119 9.142 -5.877 84 H CYS 3 H CYS 3 2.404 6.377 -10.331 85 HA CYS 3 HA CYS 3 0.661 4.243 -11.489 86 1HB CYS 3 1HB CYS 3 3.411 4.099 -10.213 87 2HB CYS 3 2HB CYS 3 2.625 2.838 -11.165 88 H THR 4 H THR 4 -0.212 2.623 -10.111 89 HA THR 4 HA THR 4 -0.182 3.305 -7.190 90 HB THR 4 HB THR 4 -2.429 2.433 -7.161 91 HG1 THR 4 HG1 THR 4 -2.898 0.882 -8.467 92 1HG2 THR 4 1HG2 THR 4 -1.647 4.571 -8.797 93 2HG2 THR 4 2HG2 THR 4 -2.813 3.665 -9.761 94 3HG2 THR 4 3HG2 THR 4 -3.266 4.266 -8.166 95 H LYS 5 H LYS 5 -0.591 1.277 -5.794 96 HA LYS 5 HA LYS 5 1.318 -0.828 -6.628 97 1HB LYS 5 1HB LYS 5 1.453 0.251 -4.411 98 2HB LYS 5 2HB LYS 5 -0.190 -0.278 -4.049 99 1HG LYS 5 1HG LYS 5 0.539 -2.641 -4.308 100 2HG LYS 5 2HG LYS 5 2.187 -2.083 -4.600 101 1HD LYS 5 1HD LYS 5 2.156 -0.964 -2.365 102 2HD LYS 5 2HD LYS 5 0.560 -1.658 -2.075 103 1HE LYS 5 1HE LYS 5 2.101 -3.845 -2.893 104 2HE LYS 5 2HE LYS 5 3.179 -2.921 -1.828 105 1HZ LYS 5 1HZ LYS 5 1.209 -2.705 -0.300 106 2HZ LYS 5 2HZ LYS 5 0.425 -3.875 -1.252 107 3HZ LYS 5 3HZ LYS 5 1.850 -4.274 -0.425 No H/Q in entry = 107 Start of MODEL 19 1 H1 SER 6 H1 SER 6 -5.460 -3.030 -7.544 2 H2 SER 6 H2 SER 6 -5.352 -1.364 -7.242 3 H3 SER 6 H3 SER 6 -5.822 -1.919 -8.778 4 HA SER 6 HA SER 6 -3.651 -1.508 -9.263 5 1HB SER 6 1HB SER 6 -2.002 -1.924 -7.210 6 2HB SER 6 2HB SER 6 -2.977 -0.456 -7.303 7 HG SER 6 HG SER 6 -3.778 -1.080 -5.483 8 H ILE 7 H ILE 7 -5.126 -4.077 -9.335 9 HA ILE 7 HA ILE 7 -2.793 -5.856 -9.728 10 HB ILE 7 HB ILE 7 -5.029 -6.287 -7.733 11 1HG1 ILE 7 1HG1 ILE 7 -2.003 -6.351 -7.539 12 2HG1 ILE 7 2HG1 ILE 7 -3.057 -5.087 -6.908 13 1HG2 ILE 7 1HG2 ILE 7 -3.400 -8.241 -9.263 14 2HG2 ILE 7 2HG2 ILE 7 -3.533 -8.535 -7.530 15 3HG2 ILE 7 3HG2 ILE 7 -4.988 -8.436 -8.521 16 1HD1 ILE 7 1HD1 ILE 7 -3.407 -7.964 -6.073 17 2HD1 ILE 7 2HD1 ILE 7 -2.245 -6.917 -5.259 18 3HD1 ILE 7 3HD1 ILE 7 -3.960 -6.506 -5.250 19 HA PRO 8 HA PRO 8 -2.124 -6.320 -11.533 20 1HB PRO 8 1HB PRO 8 -2.631 -5.028 -14.052 21 2HB PRO 8 2HB PRO 8 -1.906 -6.612 -13.770 22 1HG PRO 8 1HG PRO 8 -4.508 -6.033 -14.830 23 2HG PRO 8 2HG PRO 8 -3.792 -7.617 -14.526 24 1HD PRO 8 1HD PRO 8 -5.914 -6.310 -13.056 25 2HD PRO 8 2HD PRO 8 -5.218 -7.922 -12.775 26 HA PRO 9 HA PRO 9 -2.109 -2.134 -10.118 27 1HB PRO 9 1HB PRO 9 0.475 -1.605 -11.268 28 2HB PRO 9 2HB PRO 9 0.090 -1.989 -9.589 29 1HG PRO 9 1HG PRO 9 1.405 -3.656 -11.519 30 2HG PRO 9 2HG PRO 9 1.005 -4.048 -9.845 31 1HD PRO 9 1HD PRO 9 -0.230 -5.066 -12.254 32 2HD PRO 9 2HD PRO 9 -0.614 -5.481 -10.567 33 H ILE 10 H ILE 10 -2.315 0.034 -10.983 34 HA ILE 10 HA ILE 10 -2.491 0.144 -13.979 35 HB ILE 10 HB ILE 10 -4.084 1.597 -11.840 36 1HG1 ILE 10 1HG1 ILE 10 -4.807 -0.720 -13.662 37 2HG1 ILE 10 2HG1 ILE 10 -4.606 -0.800 -11.912 38 1HG2 ILE 10 1HG2 ILE 10 -3.746 2.762 -14.077 39 2HG2 ILE 10 2HG2 ILE 10 -4.615 1.416 -14.815 40 3HG2 ILE 10 3HG2 ILE 10 -5.425 2.450 -13.637 41 1HD1 ILE 10 1HD1 ILE 10 -6.405 1.166 -11.977 42 2HD1 ILE 10 2HD1 ILE 10 -6.821 0.413 -13.516 43 3HD1 ILE 10 3HD1 ILE 10 -6.902 -0.526 -12.026 44 H CYS 11 H CYS 11 -1.560 1.955 -14.984 45 HA CYS 11 HA CYS 11 -0.164 3.910 -13.182 46 1HB CYS 11 1HB CYS 11 0.698 2.364 -15.619 47 2HB CYS 11 2HB CYS 11 1.484 3.893 -15.225 48 H PHE 12 H PHE 12 -0.085 6.086 -13.973 49 HA PHE 12 HA PHE 12 -2.029 6.663 -16.183 50 1HB PHE 12 1HB PHE 12 -1.112 8.341 -13.823 51 2HB PHE 12 2HB PHE 12 -2.374 8.782 -14.973 52 HD1 PHE 12 HD1 PHE 12 -3.848 6.298 -15.363 53 HD2 PHE 12 HD2 PHE 12 -2.167 7.936 -11.766 54 HE1 PHE 12 HE1 PHE 12 -5.513 5.047 -14.016 55 HE2 PHE 12 HE2 PHE 12 -3.832 6.685 -10.419 56 HZ PHE 12 HZ PHE 12 -5.504 5.240 -11.544 57 HA PRO 13 HA PRO 13 1.092 8.557 -18.630 58 1HB PRO 13 1HB PRO 13 -0.371 10.991 -19.087 59 2HB PRO 13 2HB PRO 13 -0.217 9.597 -20.158 60 1HG PRO 13 1HG PRO 13 -2.527 10.430 -18.669 61 2HG PRO 13 2HG PRO 13 -2.372 9.034 -19.737 62 1HD PRO 13 1HD PRO 13 -2.557 9.050 -16.854 63 2HD PRO 13 2HD PRO 13 -2.405 7.642 -17.932 64 H ASP 14 H ASP 14 -0.149 10.121 -15.808 65 HA ASP 14 HA ASP 14 1.692 12.395 -15.827 66 1HB ASP 14 1HB ASP 14 0.749 12.700 -13.547 67 2HB ASP 14 2HB ASP 14 -0.521 12.426 -14.740 68 H GLY 1 H GLY 1 2.186 9.128 -15.375 69 1HA GLY 1 1HA GLY 1 4.747 9.624 -14.012 70 2HA GLY 1 2HA GLY 1 4.231 8.094 -14.722 71 H ARG 2 H ARG 2 1.573 8.461 -13.237 72 HA ARG 2 HA ARG 2 2.564 7.685 -10.510 73 1HB ARG 2 1HB ARG 2 -0.041 8.968 -11.400 74 2HB ARG 2 2HB ARG 2 0.394 8.593 -9.732 75 1HG ARG 2 1HG ARG 2 2.395 10.077 -9.974 76 2HG ARG 2 2HG ARG 2 1.828 10.521 -11.584 77 1HD ARG 2 1HD ARG 2 -0.332 11.300 -10.528 78 2HD ARG 2 2HD ARG 2 0.416 11.030 -8.943 79 HE ARG 2 HE ARG 2 1.176 13.123 -10.885 80 1HH1 ARG 2 1HH1 ARG 2 0.960 12.605 -7.676 81 2HH1 ARG 2 2HH1 ARG 2 2.553 13.139 -7.253 82 1HH2 ARG 2 1HH2 ARG 2 3.675 13.241 -10.533 83 2HH2 ARG 2 2HH2 ARG 2 4.090 13.500 -8.872 84 H CYS 3 H CYS 3 1.697 5.779 -9.619 85 HA CYS 3 HA CYS 3 -0.246 4.252 -11.319 86 1HB CYS 3 1HB CYS 3 2.260 3.251 -9.924 87 2HB CYS 3 2HB CYS 3 1.141 2.254 -10.855 88 H THR 4 H THR 4 -1.593 2.777 -10.102 89 HA THR 4 HA THR 4 -2.604 3.650 -7.641 90 HB THR 4 HB THR 4 -3.547 1.331 -7.537 91 HG1 THR 4 HG1 THR 4 -1.591 0.983 -9.537 92 1HG2 THR 4 1HG2 THR 4 -3.485 2.792 -10.180 93 2HG2 THR 4 2HG2 THR 4 -4.522 1.393 -9.903 94 3HG2 THR 4 3HG2 THR 4 -4.731 2.853 -8.934 95 H LYS 5 H LYS 5 -0.114 1.170 -8.219 96 HA LYS 5 HA LYS 5 1.289 1.754 -5.762 97 1HB LYS 5 1HB LYS 5 -0.844 0.698 -4.948 98 2HB LYS 5 2HB LYS 5 -0.402 -0.767 -5.826 99 1HG LYS 5 1HG LYS 5 1.719 -0.868 -4.514 100 2HG LYS 5 2HG LYS 5 1.181 0.534 -3.588 101 1HD LYS 5 1HD LYS 5 -0.851 -0.745 -2.904 102 2HD LYS 5 2HD LYS 5 -0.212 -2.156 -3.749 103 1HE LYS 5 1HE LYS 5 1.478 -0.758 -1.679 104 2HE LYS 5 2HE LYS 5 0.254 -1.943 -1.184 105 1HZ LYS 5 1HZ LYS 5 1.249 -3.344 -3.084 106 2HZ LYS 5 2HZ LYS 5 2.598 -2.320 -2.944 107 3HZ LYS 5 3HZ LYS 5 2.106 -3.257 -1.619 No H/Q in entry = 107 Start of MODEL 20 1 H1 SER 6 H1 SER 6 -1.865 -1.485 -8.398 2 H2 SER 6 H2 SER 6 -3.054 -0.334 -8.030 3 H3 SER 6 H3 SER 6 -2.576 -1.465 -6.855 4 HA SER 6 HA SER 6 -4.505 -2.459 -7.553 5 1HB SER 6 1HB SER 6 -3.798 -0.858 -9.975 6 2HB SER 6 2HB SER 6 -4.874 -2.237 -10.202 7 HG SER 6 HG SER 6 -6.263 -1.372 -8.679 8 H ILE 7 H ILE 7 -4.941 -4.405 -9.110 9 HA ILE 7 HA ILE 7 -2.412 -5.677 -10.051 10 HB ILE 7 HB ILE 7 -3.263 -7.757 -8.784 11 1HG1 ILE 7 1HG1 ILE 7 -4.714 -5.719 -7.102 12 2HG1 ILE 7 2HG1 ILE 7 -5.538 -6.554 -8.419 13 1HG2 ILE 7 1HG2 ILE 7 -1.680 -5.538 -7.992 14 2HG2 ILE 7 2HG2 ILE 7 -2.648 -5.998 -6.591 15 3HG2 ILE 7 3HG2 ILE 7 -1.605 -7.187 -7.372 16 1HD1 ILE 7 1HD1 ILE 7 -3.965 -8.137 -6.403 17 2HD1 ILE 7 2HD1 ILE 7 -5.593 -7.588 -6.005 18 3HD1 ILE 7 3HD1 ILE 7 -5.334 -8.647 -7.392 19 HA PRO 8 HA PRO 8 -1.805 -6.020 -11.899 20 1HB PRO 8 1HB PRO 8 -2.583 -4.636 -14.298 21 2HB PRO 8 2HB PRO 8 -1.697 -6.156 -14.158 22 1HG PRO 8 1HG PRO 8 -4.394 -5.776 -15.043 23 2HG PRO 8 2HG PRO 8 -3.522 -7.300 -14.862 24 1HD PRO 8 1HD PRO 8 -5.664 -6.255 -13.210 25 2HD PRO 8 2HD PRO 8 -4.832 -7.822 -13.070 26 HA PRO 9 HA PRO 9 -2.136 -1.944 -10.204 27 1HB PRO 9 1HB PRO 9 0.373 -1.131 -11.353 28 2HB PRO 9 2HB PRO 9 0.054 -1.648 -9.696 29 1HG PRO 9 1HG PRO 9 1.471 -3.075 -11.739 30 2HG PRO 9 2HG PRO 9 1.128 -3.604 -10.091 31 1HD PRO 9 1HD PRO 9 -0.056 -4.558 -12.556 32 2HD PRO 9 2HD PRO 9 -0.368 -5.125 -10.898 33 H ILE 10 H ILE 10 -2.581 0.226 -10.932 34 HA ILE 10 HA ILE 10 -2.920 0.473 -13.898 35 HB ILE 10 HB ILE 10 -4.273 1.902 -11.584 36 1HG1 ILE 10 1HG1 ILE 10 -4.909 -0.419 -11.536 37 2HG1 ILE 10 2HG1 ILE 10 -6.233 0.461 -12.302 38 1HG2 ILE 10 1HG2 ILE 10 -4.633 1.945 -14.580 39 2HG2 ILE 10 2HG2 ILE 10 -5.955 2.373 -13.495 40 3HG2 ILE 10 3HG2 ILE 10 -4.461 3.309 -13.476 41 1HD1 ILE 10 1HD1 ILE 10 -5.336 -0.141 -14.529 42 2HD1 ILE 10 2HD1 ILE 10 -4.029 -1.037 -13.753 43 3HD1 ILE 10 3HD1 ILE 10 -5.698 -1.580 -13.575 44 H CYS 11 H CYS 11 -1.870 2.152 -14.944 45 HA CYS 11 HA CYS 11 -0.396 4.126 -13.228 46 1HB CYS 11 1HB CYS 11 0.333 2.700 -15.801 47 2HB CYS 11 2HB CYS 11 1.262 4.056 -15.161 48 H PHE 12 H PHE 12 -0.358 6.294 -14.000 49 HA PHE 12 HA PHE 12 -2.376 6.895 -16.132 50 1HB PHE 12 1HB PHE 12 -1.385 8.271 -13.640 51 2HB PHE 12 2HB PHE 12 -2.204 9.195 -14.899 52 HD1 PHE 12 HD1 PHE 12 -2.577 6.113 -12.805 53 HD2 PHE 12 HD2 PHE 12 -4.550 9.248 -14.978 54 HE1 PHE 12 HE1 PHE 12 -4.769 5.317 -11.962 55 HE2 PHE 12 HE2 PHE 12 -6.743 8.454 -14.134 56 HZ PHE 12 HZ PHE 12 -6.852 6.487 -12.626 57 HA PRO 13 HA PRO 13 0.604 8.714 -18.796 58 1HB PRO 13 1HB PRO 13 -0.713 11.261 -19.043 59 2HB PRO 13 2HB PRO 13 -0.761 9.897 -20.164 60 1HG PRO 13 1HG PRO 13 -2.856 10.839 -18.439 61 2HG PRO 13 2HG PRO 13 -2.903 9.472 -19.557 62 1HD PRO 13 1HD PRO 13 -2.818 9.401 -16.670 63 2HD PRO 13 2HD PRO 13 -2.872 8.025 -17.795 64 H ASP 14 H ASP 14 -0.203 10.191 -15.796 65 HA ASP 14 HA ASP 14 1.735 12.378 -15.923 66 1HB ASP 14 1HB ASP 14 1.100 12.582 -13.526 67 2HB ASP 14 2HB ASP 14 -0.319 12.449 -14.567 68 H GLY 1 H GLY 1 2.083 9.058 -15.663 69 1HA GLY 1 1HA GLY 1 4.837 9.351 -14.671 70 2HA GLY 1 2HA GLY 1 4.123 7.876 -15.326 71 H ARG 2 H ARG 2 1.738 8.298 -13.486 72 HA ARG 2 HA ARG 2 3.060 7.468 -10.921 73 1HB ARG 2 1HB ARG 2 0.445 8.883 -11.522 74 2HB ARG 2 2HB ARG 2 0.921 8.348 -9.910 75 1HG ARG 2 1HG ARG 2 3.005 9.724 -10.130 76 2HG ARG 2 2HG ARG 2 2.388 10.342 -11.662 77 1HD ARG 2 1HD ARG 2 0.330 11.139 -10.422 78 2HD ARG 2 2HD ARG 2 1.149 10.698 -8.912 79 HE ARG 2 HE ARG 2 2.748 12.450 -9.311 80 1HH1 ARG 2 1HH1 ARG 2 0.043 13.525 -10.528 81 2HH1 ARG 2 2HH1 ARG 2 0.667 14.319 -11.935 82 1HH2 ARG 2 1HH2 ARG 2 3.782 12.811 -11.728 83 2HH2 ARG 2 2HH2 ARG 2 2.784 13.915 -12.614 84 H CYS 3 H CYS 3 2.225 5.599 -9.893 85 HA CYS 3 HA CYS 3 0.124 4.081 -11.400 86 1HB CYS 3 1HB CYS 3 2.761 3.135 -10.233 87 2HB CYS 3 2HB CYS 3 1.526 2.058 -10.885 88 H THR 4 H THR 4 -1.020 2.493 -10.024 89 HA THR 4 HA THR 4 -1.425 3.519 -7.288 90 HB THR 4 HB THR 4 -3.375 2.069 -7.372 91 HG1 THR 4 HG1 THR 4 -1.838 0.837 -9.326 92 1HG2 THR 4 1HG2 THR 4 -2.926 4.146 -9.095 93 2HG2 THR 4 2HG2 THR 4 -3.374 2.858 -10.214 94 3HG2 THR 4 3HG2 THR 4 -4.476 3.320 -8.917 95 H LYS 5 H LYS 5 -1.875 1.547 -5.648 96 HA LYS 5 HA LYS 5 -0.099 -0.757 -5.929 97 1HB LYS 5 1HB LYS 5 1.358 1.302 -5.473 98 2HB LYS 5 2HB LYS 5 0.615 1.348 -3.873 99 1HG LYS 5 1HG LYS 5 1.353 -1.017 -3.517 100 2HG LYS 5 2HG LYS 5 2.196 -0.950 -5.065 101 1HD LYS 5 1HD LYS 5 3.578 0.911 -4.251 102 2HD LYS 5 2HD LYS 5 2.711 0.900 -2.715 103 1HE LYS 5 1HE LYS 5 3.924 -1.683 -3.614 104 2HE LYS 5 2HE LYS 5 5.019 -0.427 -3.004 105 1HZ LYS 5 1HZ LYS 5 3.211 -0.172 -1.187 106 2HZ LYS 5 2HZ LYS 5 2.753 -1.743 -1.644 107 3HZ LYS 5 3HZ LYS 5 4.321 -1.453 -1.063 No H/Q in entry = 107
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