NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640530 | 6h7i | 34305 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 8.403 3.246 4.461 2 H2 SER 1 HT2 SER 1 7.554 3.977 3.161 3 H3 SER 1 HT3 SER 1 7.993 2.320 3.078 4 HA SER 1 HA SER 1 6.611 2.006 5.113 5 HB2 SER 1 HB3 SER 1 6.582 4.659 5.252 6 HB3 SER 1 HB2 SER 1 5.164 4.465 4.222 7 HG SER 1 HG SER 1 5.402 4.063 6.869 8 H TRP 2 H TRP 2 4.138 1.705 4.758 9 HA TRP 2 HA TRP 2 3.802 0.774 1.998 10 HB2 TRP 2 HB3 TRP 2 2.817 -0.154 4.645 11 HB3 TRP 2 HB2 TRP 2 1.742 -0.383 3.271 12 HD1 TRP 2 HD1 TRP 2 4.985 -1.665 4.764 13 HE1 TRP 2 HE1 TRP 2 5.812 -3.681 3.394 14 HE3 TRP 2 HE3 TRP 2 1.676 -1.421 0.869 15 HZ2 TRP 2 HZ2 TRP 2 5.154 -4.984 0.971 16 HZ3 TRP 2 HZ3 TRP 2 1.857 -3.047 -0.929 17 HH2 TRP 2 HH2 TRP 2 3.551 -4.815 -0.886 18 H THR 3 H THR 3 1.746 1.066 0.908 19 HA THR 3 HA THR 3 0.284 3.425 1.932 20 HB THR 3 HB THR 3 0.160 4.380 -0.183 21 HG1 THR 3 HG1 THR 3 -0.335 3.118 -1.759 22 HG21 THR 3 HG21 THR 3 2.677 3.187 -1.000 23 HG22 THR 3 HG22 THR 3 2.681 3.737 0.676 24 HG23 THR 3 HG23 THR 3 2.281 4.863 -0.622 25 H TRP 4 H TRP 4 -1.741 3.040 2.394 26 HA TRP 4 HA TRP 4 -3.055 0.653 1.352 27 HB2 TRP 4 HB3 TRP 4 -3.002 1.340 3.838 28 HB3 TRP 4 HB2 TRP 4 -4.139 2.561 3.383 29 HD1 TRP 4 HD1 TRP 4 -6.312 1.792 4.404 30 HE1 TRP 4 HE1 TRP 4 -7.723 -0.373 4.307 31 HE3 TRP 4 HE3 TRP 4 -3.040 -1.083 1.902 32 HZ2 TRP 4 HZ2 TRP 4 -7.425 -3.000 3.267 33 HZ3 TRP 4 HZ3 TRP 4 -3.620 -3.432 1.375 34 HH2 TRP 4 HH2 TRP 4 -5.776 -4.368 2.054 35 H GLU 5 H GLU 5 -4.418 0.780 -0.327 36 HA GLU 5 HA GLU 5 -5.978 3.229 -0.699 37 HB2 GLU 5 HB3 GLU 5 -5.511 3.069 -3.181 38 HB3 GLU 5 HB2 GLU 5 -4.176 3.623 -2.179 39 HG2 GLU 5 HG3 GLU 5 -2.937 1.754 -2.546 40 HG3 GLU 5 HG2 GLU 5 -4.351 0.722 -2.759 41 H ASN 6 H ASN 6 -8.024 2.655 -0.694 42 HA ASN 6 HA ASN 6 -9.936 1.431 -0.901 43 HB2 ASN 6 HB3 ASN 6 -8.928 2.054 -3.380 44 HB3 ASN 6 HB2 ASN 6 -9.234 0.321 -3.521 45 HD21 ASN 6 HD21 ASN 6 -10.914 2.899 -1.764 46 HD22 ASN 6 HD22 ASN 6 -12.450 2.640 -2.508 47 H GLY 7 H GLY 7 -8.173 -0.041 0.610 48 HA2 GLY 7 HA3 GLY 7 -8.186 -2.192 1.457 49 HA3 GLY 7 HA2 GLY 7 -9.142 -2.696 0.072 50 H LYS 8 H LYS 8 -6.220 -1.011 -0.653 51 HA LYS 8 HA LYS 8 -4.815 -3.560 -1.055 52 HB2 LYS 8 HB3 LYS 8 -5.853 -2.912 -3.186 53 HB3 LYS 8 HB2 LYS 8 -5.037 -1.356 -3.111 54 HG2 LYS 8 HG3 LYS 8 -3.573 -2.419 -4.458 55 HG3 LYS 8 HG2 LYS 8 -2.906 -2.947 -2.912 56 HD2 LYS 8 HD3 LYS 8 -5.070 -4.645 -3.910 57 HD3 LYS 8 HD2 LYS 8 -3.657 -4.598 -4.965 58 HE2 LYS 8 HE3 LYS 8 -2.906 -6.230 -3.606 59 HE3 LYS 8 HE2 LYS 8 -2.462 -4.881 -2.561 60 HZ1 LYS 8 HZ1 LYS 8 -4.044 -5.403 -1.078 61 HZ2 LYS 8 HZ2 LYS 8 -3.980 -6.937 -1.788 62 HZ3 LYS 8 HZ3 LYS 8 -5.179 -5.839 -2.255 63 H TRP 9 H TRP 9 -2.650 -3.538 -0.740 64 HA TRP 9 HA TRP 9 -1.499 -1.087 0.387 65 HB2 TRP 9 HB3 TRP 9 -0.955 -3.998 0.627 66 HB3 TRP 9 HB2 TRP 9 0.363 -2.917 0.875 67 HD1 TRP 9 HD1 TRP 9 -1.926 -4.676 2.775 68 HE1 TRP 9 HE1 TRP 9 -2.368 -3.596 5.088 69 HE3 TRP 9 HE3 TRP 9 -0.060 -0.107 1.789 70 HZ2 TRP 9 HZ2 TRP 9 -1.942 -1.052 6.301 71 HZ3 TRP 9 HZ3 TRP 9 -0.105 1.618 3.526 72 HH2 TRP 9 HH2 TRP 9 -1.006 1.155 5.741 73 H THR 10 H THR 10 0.275 -0.088 -0.475 74 HA THR 10 HA THR 10 1.475 -1.291 -2.876 75 HB THR 10 HB THR 10 1.466 1.634 -2.887 76 HG1 THR 10 HG1 THR 10 -1.007 0.274 -3.163 77 HG21 THR 10 HG21 THR 10 0.122 0.649 -5.118 78 HG22 THR 10 HG22 THR 10 1.381 -0.533 -4.760 79 HG23 THR 10 HG23 THR 10 1.807 1.160 -5.015 80 H TRP 11 H TRP 11 3.592 -1.526 -2.706 81 HA TRP 11 HA TRP 11 4.988 -0.273 -0.493 82 HB2 TRP 11 HB3 TRP 11 5.331 -2.649 -0.872 83 HB3 TRP 11 HB2 TRP 11 5.890 -2.335 -2.512 84 HD1 TRP 11 HD1 TRP 11 8.430 -2.518 -2.680 85 HE1 TRP 11 HE1 TRP 11 10.430 -2.020 -1.137 86 HE3 TRP 11 HE3 TRP 11 5.889 -0.821 1.413 87 HZ2 TRP 11 HZ2 TRP 11 10.870 -1.033 1.473 88 HZ3 TRP 11 HZ3 TRP 11 7.169 -0.118 3.389 89 HH2 TRP 11 HH2 TRP 11 9.609 -0.222 3.420 90 H LYS 12 H LYS 12 6.901 0.937 -0.695 91 HA LYS 12 HA LYS 12 8.166 1.666 -3.059 92 HB2 LYS 12 HB3 LYS 12 7.262 4.053 -3.226 93 HB3 LYS 12 HB2 LYS 12 6.252 2.767 -3.872 94 HG2 LYS 12 HG3 LYS 12 5.180 2.825 -1.483 95 HG3 LYS 12 HG2 LYS 12 5.861 4.453 -1.452 96 HD2 LYS 12 HD3 LYS 12 3.661 4.689 -2.279 97 HD3 LYS 12 HD2 LYS 12 4.721 4.825 -3.684 98 HE2 LYS 12 HE3 LYS 12 3.850 2.092 -3.082 99 HE3 LYS 12 HE2 LYS 12 2.542 3.193 -3.511 100 HZ1 LYS 12 HZ1 LYS 12 3.136 2.576 -5.580 101 HZ2 LYS 12 HZ2 LYS 12 4.720 2.174 -5.145 102 HZ3 LYS 12 HZ3 LYS 12 4.300 3.792 -5.399 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 7.701 3.316 2.739 2 H2 SER 1 HT2 SER 1 8.201 1.853 3.485 3 H3 SER 1 HT3 SER 1 8.402 3.349 4.302 4 HA SER 1 HA SER 1 6.550 2.023 5.116 5 HB2 SER 1 HB3 SER 1 4.931 3.967 4.971 6 HB3 SER 1 HB2 SER 1 6.558 4.390 5.505 7 HG SER 1 HG SER 1 5.368 5.618 3.682 8 H TRP 2 H TRP 2 4.141 1.768 4.720 9 HA TRP 2 HA TRP 2 3.762 0.727 2.000 10 HB2 TRP 2 HB3 TRP 2 2.803 -0.113 4.689 11 HB3 TRP 2 HB2 TRP 2 1.712 -0.372 3.333 12 HD1 TRP 2 HD1 TRP 2 4.921 -1.672 4.860 13 HE1 TRP 2 HE1 TRP 2 5.732 -3.722 3.531 14 HE3 TRP 2 HE3 TRP 2 1.663 -1.437 0.922 15 HZ2 TRP 2 HZ2 TRP 2 5.084 -5.052 1.120 16 HZ3 TRP 2 HZ3 TRP 2 1.839 -3.093 -0.849 17 HH2 TRP 2 HH2 TRP 2 3.505 -4.887 -0.758 18 H THR 3 H THR 3 1.735 1.055 0.907 19 HA THR 3 HA THR 3 0.287 3.429 1.914 20 HB THR 3 HB THR 3 0.159 4.361 -0.217 21 HG1 THR 3 HG1 THR 3 -0.367 3.013 -1.723 22 HG21 THR 3 HG21 THR 3 2.714 3.155 -0.942 23 HG22 THR 3 HG22 THR 3 2.661 3.811 0.694 24 HG23 THR 3 HG23 THR 3 2.281 4.845 -0.683 25 H TRP 4 H TRP 4 -1.742 3.062 2.373 26 HA TRP 4 HA TRP 4 -3.070 0.676 1.349 27 HB2 TRP 4 HB3 TRP 4 -3.023 1.395 3.826 28 HB3 TRP 4 HB2 TRP 4 -4.152 2.615 3.349 29 HD1 TRP 4 HD1 TRP 4 -6.331 1.868 4.376 30 HE1 TRP 4 HE1 TRP 4 -7.754 -0.291 4.298 31 HE3 TRP 4 HE3 TRP 4 -3.068 -1.050 1.914 32 HZ2 TRP 4 HZ2 TRP 4 -7.466 -2.931 3.287 33 HZ3 TRP 4 HZ3 TRP 4 -3.658 -3.402 1.409 34 HH2 TRP 4 HH2 TRP 4 -5.821 -4.319 2.093 35 H GLU 5 H GLU 5 -4.422 0.792 -0.339 36 HA GLU 5 HA GLU 5 -5.964 3.247 -0.748 37 HB2 GLU 5 HB3 GLU 5 -3.978 2.061 -2.618 38 HB3 GLU 5 HB2 GLU 5 -5.449 2.732 -3.308 39 HG2 GLU 5 HG3 GLU 5 -4.130 4.457 -1.344 40 HG3 GLU 5 HG2 GLU 5 -3.185 4.134 -2.797 41 H ASN 6 H ASN 6 -8.012 2.681 -0.737 42 HA ASN 6 HA ASN 6 -9.930 1.466 -0.937 43 HB2 ASN 6 HB3 ASN 6 -8.806 1.959 -3.458 44 HB3 ASN 6 HB2 ASN 6 -9.382 0.291 -3.521 45 HD21 ASN 6 HD21 ASN 6 -11.540 0.579 -1.724 46 HD22 ASN 6 HD22 ASN 6 -12.746 1.545 -2.492 47 H GLY 7 H GLY 7 -8.178 -0.001 0.588 48 HA2 GLY 7 HA3 GLY 7 -8.207 -2.144 1.456 49 HA3 GLY 7 HA2 GLY 7 -9.160 -2.656 0.070 50 H LYS 8 H LYS 8 -6.225 -0.991 -0.653 51 HA LYS 8 HA LYS 8 -4.831 -3.552 -1.028 52 HB2 LYS 8 HB3 LYS 8 -5.851 -2.919 -3.169 53 HB3 LYS 8 HB2 LYS 8 -5.035 -1.363 -3.101 54 HG2 LYS 8 HG3 LYS 8 -3.616 -2.491 -4.474 55 HG3 LYS 8 HG2 LYS 8 -2.889 -2.878 -2.913 56 HD2 LYS 8 HD3 LYS 8 -5.007 -4.728 -3.708 57 HD3 LYS 8 HD2 LYS 8 -3.641 -4.700 -4.824 58 HE2 LYS 8 HE3 LYS 8 -2.727 -6.173 -3.398 59 HE3 LYS 8 HE2 LYS 8 -2.368 -4.748 -2.424 60 HZ1 LYS 8 HZ1 LYS 8 -3.891 -5.308 -0.895 61 HZ2 LYS 8 HZ2 LYS 8 -3.725 -6.866 -1.532 62 HZ3 LYS 8 HZ3 LYS 8 -5.006 -5.880 -2.032 63 H TRP 9 H TRP 9 -2.668 -3.539 -0.699 64 HA TRP 9 HA TRP 9 -1.509 -1.082 0.408 65 HB2 TRP 9 HB3 TRP 9 -0.990 -3.994 0.691 66 HB3 TRP 9 HB2 TRP 9 0.335 -2.920 0.935 67 HD1 TRP 9 HD1 TRP 9 -1.980 -4.637 2.840 68 HE1 TRP 9 HE1 TRP 9 -2.431 -3.524 5.136 69 HE3 TRP 9 HE3 TRP 9 -0.076 -0.093 1.808 70 HZ2 TRP 9 HZ2 TRP 9 -1.996 -0.968 6.318 71 HZ3 TRP 9 HZ3 TRP 9 -0.122 1.655 3.522 72 HH2 TRP 9 HH2 TRP 9 -1.042 1.226 5.736 73 H THR 10 H THR 10 0.286 -0.112 -0.446 74 HA THR 10 HA THR 10 1.497 -1.355 -2.820 75 HB THR 10 HB THR 10 1.519 1.569 -2.870 76 HG1 THR 10 HG1 THR 10 -0.675 1.763 -3.404 77 HG21 THR 10 HG21 THR 10 1.881 1.054 -4.986 78 HG22 THR 10 HG22 THR 10 0.186 0.580 -5.100 79 HG23 THR 10 HG23 THR 10 1.415 -0.625 -4.715 80 H TRP 11 H TRP 11 3.610 -1.611 -2.626 81 HA TRP 11 HA TRP 11 4.995 -0.350 -0.411 82 HB2 TRP 11 HB3 TRP 11 5.315 -2.735 -0.769 83 HB3 TRP 11 HB2 TRP 11 5.903 -2.436 -2.402 84 HD1 TRP 11 HD1 TRP 11 8.443 -2.656 -2.524 85 HE1 TRP 11 HE1 TRP 11 10.424 -2.162 -0.955 86 HE3 TRP 11 HE3 TRP 11 5.857 -0.881 1.508 87 HZ2 TRP 11 HZ2 TRP 11 10.833 -1.150 1.650 88 HZ3 TRP 11 HZ3 TRP 11 7.113 -0.170 3.495 89 HH2 TRP 11 HH2 TRP 11 9.551 -0.301 3.567 90 H LYS 12 H LYS 12 6.968 0.790 -0.617 91 HA LYS 12 HA LYS 12 8.182 1.514 -3.027 92 HB2 LYS 12 HB3 LYS 12 5.794 3.053 -2.342 93 HB3 LYS 12 HB2 LYS 12 7.216 4.065 -2.558 94 HG2 LYS 12 HG3 LYS 12 7.312 3.691 -4.775 95 HG3 LYS 12 HG2 LYS 12 6.785 2.014 -4.625 96 HD2 LYS 12 HD3 LYS 12 4.498 3.122 -3.969 97 HD3 LYS 12 HD2 LYS 12 5.161 4.508 -4.838 98 HE2 LYS 12 HE3 LYS 12 5.540 3.059 -6.798 99 HE3 LYS 12 HE2 LYS 12 4.802 1.716 -5.925 100 HZ1 LYS 12 HZ1 LYS 12 3.553 4.048 -7.148 101 HZ2 LYS 12 HZ2 LYS 12 2.880 3.508 -5.693 102 HZ3 LYS 12 HZ3 LYS 12 2.986 2.459 -7.016 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 7.467 3.959 2.830 2 H2 SER 1 HT2 SER 1 8.038 2.345 2.712 3 H3 SER 1 HT3 SER 1 8.461 3.310 4.067 4 HA SER 1 HA SER 1 6.828 1.899 4.817 5 HB2 SER 1 HB3 SER 1 6.625 4.406 5.261 6 HB3 SER 1 HB2 SER 1 5.351 4.418 4.042 7 HG SER 1 HG SER 1 5.320 2.683 6.279 8 H TRP 2 H TRP 2 4.163 1.840 4.566 9 HA TRP 2 HA TRP 2 3.767 0.720 1.875 10 HB2 TRP 2 HB3 TRP 2 2.882 -0.116 4.586 11 HB3 TRP 2 HB2 TRP 2 1.748 -0.377 3.268 12 HD1 TRP 2 HD1 TRP 2 4.942 -1.728 4.742 13 HE1 TRP 2 HE1 TRP 2 5.727 -3.769 3.384 14 HE3 TRP 2 HE3 TRP 2 1.702 -1.383 0.796 15 HZ2 TRP 2 HZ2 TRP 2 5.068 -5.051 0.951 16 HZ3 TRP 2 HZ3 TRP 2 1.860 -3.017 -1.001 17 HH2 TRP 2 HH2 TRP 2 3.499 -4.835 -0.930 18 H THR 3 H THR 3 1.795 1.096 0.764 19 HA THR 3 HA THR 3 0.325 3.453 1.776 20 HB THR 3 HB THR 3 0.719 2.681 -1.118 21 HG1 THR 3 HG1 THR 3 2.191 4.455 -1.118 22 HG21 THR 3 HG21 THR 3 0.218 5.463 -0.587 23 HG22 THR 3 HG22 THR 3 -1.095 4.450 0.014 24 HG23 THR 3 HG23 THR 3 -0.611 4.354 -1.679 25 H TRP 4 H TRP 4 -1.702 3.083 2.297 26 HA TRP 4 HA TRP 4 -3.041 0.679 1.315 27 HB2 TRP 4 HB3 TRP 4 -2.933 1.391 3.796 28 HB3 TRP 4 HB2 TRP 4 -4.088 2.600 3.352 29 HD1 TRP 4 HD1 TRP 4 -6.227 1.824 4.440 30 HE1 TRP 4 HE1 TRP 4 -7.632 -0.346 4.386 31 HE3 TRP 4 HE3 TRP 4 -3.009 -1.051 1.864 32 HZ2 TRP 4 HZ2 TRP 4 -7.352 -2.976 3.349 33 HZ3 TRP 4 HZ3 TRP 4 -3.597 -3.403 1.359 34 HH2 TRP 4 HH2 TRP 4 -5.732 -4.342 2.097 35 H GLU 5 H GLU 5 -4.437 0.796 -0.335 36 HA GLU 5 HA GLU 5 -6.002 3.243 -0.693 37 HB2 GLU 5 HB3 GLU 5 -4.350 1.914 -2.841 38 HB3 GLU 5 HB2 GLU 5 -5.582 3.128 -3.160 39 HG2 GLU 5 HG3 GLU 5 -3.654 3.970 -1.153 40 HG3 GLU 5 HG2 GLU 5 -2.917 3.600 -2.711 41 H ASN 6 H ASN 6 -8.045 2.655 -0.616 42 HA ASN 6 HA ASN 6 -9.955 1.420 -0.766 43 HB2 ASN 6 HB3 ASN 6 -9.036 2.074 -3.271 44 HB3 ASN 6 HB2 ASN 6 -9.339 0.340 -3.419 45 HD21 ASN 6 HD21 ASN 6 -10.968 2.894 -1.580 46 HD22 ASN 6 HD22 ASN 6 -12.527 2.635 -2.274 47 H GLY 7 H GLY 7 -8.134 -0.058 0.668 48 HA2 GLY 7 HA3 GLY 7 -8.129 -2.221 1.495 49 HA3 GLY 7 HA2 GLY 7 -9.101 -2.717 0.117 50 H LYS 8 H LYS 8 -6.198 -0.995 -0.613 51 HA LYS 8 HA LYS 8 -4.781 -3.528 -1.079 52 HB2 LYS 8 HB3 LYS 8 -5.839 -2.849 -3.187 53 HB3 LYS 8 HB2 LYS 8 -5.043 -1.285 -3.087 54 HG2 LYS 8 HG3 LYS 8 -3.804 -2.586 -4.618 55 HG3 LYS 8 HG2 LYS 8 -2.852 -2.513 -3.134 56 HD2 LYS 8 HD3 LYS 8 -4.318 -4.746 -2.687 57 HD3 LYS 8 HD2 LYS 8 -4.151 -4.808 -4.443 58 HE2 LYS 8 HE3 LYS 8 -1.931 -5.210 -4.349 59 HE3 LYS 8 HE2 LYS 8 -1.695 -4.163 -2.950 60 HZ1 LYS 8 HZ1 LYS 8 -2.400 -5.857 -1.498 61 HZ2 LYS 8 HZ2 LYS 8 -1.330 -6.604 -2.573 62 HZ3 LYS 8 HZ3 LYS 8 -2.998 -6.816 -2.757 63 H TRP 9 H TRP 9 -2.610 -3.495 -0.779 64 HA TRP 9 HA TRP 9 -1.482 -1.056 0.388 65 HB2 TRP 9 HB3 TRP 9 -0.925 -3.960 0.588 66 HB3 TRP 9 HB2 TRP 9 0.396 -2.881 0.838 67 HD1 TRP 9 HD1 TRP 9 -1.884 -4.649 2.738 68 HE1 TRP 9 HE1 TRP 9 -2.319 -3.582 5.058 69 HE3 TRP 9 HE3 TRP 9 -0.029 -0.070 1.767 70 HZ2 TRP 9 HZ2 TRP 9 -1.893 -1.044 6.282 71 HZ3 TRP 9 HZ3 TRP 9 -0.070 1.645 3.514 72 HH2 TRP 9 HH2 TRP 9 -0.963 1.168 5.729 73 H THR 10 H THR 10 0.368 -0.087 -0.372 74 HA THR 10 HA THR 10 1.500 -1.142 -2.873 75 HB THR 10 HB THR 10 1.660 1.746 -2.742 76 HG1 THR 10 HG1 THR 10 -0.584 2.106 -3.063 77 HG21 THR 10 HG21 THR 10 1.175 -0.311 -4.676 78 HG22 THR 10 HG22 THR 10 1.727 1.348 -4.911 79 HG23 THR 10 HG23 THR 10 -0.000 0.993 -4.849 80 H TRP 11 H TRP 11 3.617 -1.456 -2.756 81 HA TRP 11 HA TRP 11 5.083 -0.347 -0.498 82 HB2 TRP 11 HB3 TRP 11 5.317 -2.731 -0.915 83 HB3 TRP 11 HB2 TRP 11 5.867 -2.418 -2.559 84 HD1 TRP 11 HD1 TRP 11 8.391 -2.726 -2.761 85 HE1 TRP 11 HE1 TRP 11 10.434 -2.338 -1.245 86 HE3 TRP 11 HE3 TRP 11 5.995 -0.945 1.387 87 HZ2 TRP 11 HZ2 TRP 11 10.960 -1.398 1.366 88 HZ3 TRP 11 HZ3 TRP 11 7.339 -0.322 3.349 89 HH2 TRP 11 HH2 TRP 11 9.771 -0.545 3.339 90 H LYS 12 H LYS 12 7.075 0.751 -0.717 91 HA LYS 12 HA LYS 12 8.311 1.467 -3.105 92 HB2 LYS 12 HB3 LYS 12 7.559 3.909 -3.166 93 HB3 LYS 12 HB2 LYS 12 6.442 2.713 -3.809 94 HG2 LYS 12 HG3 LYS 12 5.430 2.754 -1.418 95 HG3 LYS 12 HG2 LYS 12 6.268 4.302 -1.289 96 HD2 LYS 12 HD3 LYS 12 4.695 3.883 -3.751 97 HD3 LYS 12 HD2 LYS 12 3.768 4.030 -2.256 98 HE2 LYS 12 HE3 LYS 12 3.916 6.237 -2.667 99 HE3 LYS 12 HE2 LYS 12 5.523 6.067 -1.962 100 HZ1 LYS 12 HZ1 LYS 12 5.638 7.253 -4.042 101 HZ2 LYS 12 HZ2 LYS 12 4.868 5.987 -4.858 102 HZ3 LYS 12 HZ3 LYS 12 6.411 5.756 -4.205 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 7.395 3.646 2.609 2 H2 SER 1 HT2 SER 1 8.310 2.329 3.220 3 H3 SER 1 HT3 SER 1 8.198 3.789 4.116 4 HA SER 1 HA SER 1 6.812 1.889 4.883 5 HB2 SER 1 HB3 SER 1 5.348 4.433 4.147 6 HB3 SER 1 HB2 SER 1 5.064 3.399 5.547 7 HG SER 1 HG SER 1 6.446 5.454 5.688 8 H TRP 2 H TRP 2 4.136 1.832 4.588 9 HA TRP 2 HA TRP 2 3.800 0.740 1.877 10 HB2 TRP 2 HB3 TRP 2 2.876 -0.138 4.560 11 HB3 TRP 2 HB2 TRP 2 1.760 -0.383 3.223 12 HD1 TRP 2 HD1 TRP 2 4.977 -1.714 4.689 13 HE1 TRP 2 HE1 TRP 2 5.772 -3.743 3.318 14 HE3 TRP 2 HE3 TRP 2 1.696 -1.394 0.775 15 HZ2 TRP 2 HZ2 TRP 2 5.104 -5.024 0.887 16 HZ3 TRP 2 HZ3 TRP 2 1.856 -3.021 -1.028 17 HH2 TRP 2 HH2 TRP 2 3.516 -4.821 -0.978 18 H THR 3 H THR 3 1.812 1.084 0.757 19 HA THR 3 HA THR 3 0.343 3.453 1.742 20 HB THR 3 HB THR 3 0.424 2.744 -1.162 21 HG1 THR 3 HG1 THR 3 2.441 3.239 -1.341 22 HG21 THR 3 HG21 THR 3 0.372 5.174 -1.447 23 HG22 THR 3 HG22 THR 3 0.345 5.368 0.306 24 HG23 THR 3 HG23 THR 3 -1.002 4.581 -0.516 25 H TRP 4 H TRP 4 -1.687 3.088 2.271 26 HA TRP 4 HA TRP 4 -3.028 0.677 1.308 27 HB2 TRP 4 HB3 TRP 4 -2.916 1.397 3.785 28 HB3 TRP 4 HB2 TRP 4 -4.068 2.609 3.338 29 HD1 TRP 4 HD1 TRP 4 -6.210 1.845 4.426 30 HE1 TRP 4 HE1 TRP 4 -7.621 -0.321 4.384 31 HE3 TRP 4 HE3 TRP 4 -2.998 -1.054 1.871 32 HZ2 TRP 4 HZ2 TRP 4 -7.347 -2.958 3.363 33 HZ3 TRP 4 HZ3 TRP 4 -3.591 -3.408 1.380 34 HH2 TRP 4 HH2 TRP 4 -5.729 -4.337 2.122 35 H GLU 5 H GLU 5 -4.427 0.787 -0.340 36 HA GLU 5 HA GLU 5 -5.992 3.234 -0.706 37 HB2 GLU 5 HB3 GLU 5 -3.833 3.009 -2.198 38 HB3 GLU 5 HB2 GLU 5 -4.851 1.923 -3.135 39 HG2 GLU 5 HG3 GLU 5 -6.352 3.620 -3.693 40 HG3 GLU 5 HG2 GLU 5 -5.766 4.681 -2.414 41 H ASN 6 H ASN 6 -8.036 2.653 -0.635 42 HA ASN 6 HA ASN 6 -9.949 1.422 -0.778 43 HB2 ASN 6 HB3 ASN 6 -8.700 1.510 -3.445 44 HB3 ASN 6 HB2 ASN 6 -9.960 0.287 -3.252 45 HD21 ASN 6 HD21 ASN 6 -11.722 1.451 -1.597 46 HD22 ASN 6 HD22 ASN 6 -12.387 2.874 -2.313 47 H GLY 7 H GLY 7 -8.136 -0.046 0.674 48 HA2 GLY 7 HA3 GLY 7 -8.129 -2.201 1.521 49 HA3 GLY 7 HA2 GLY 7 -9.109 -2.708 0.153 50 H LYS 8 H LYS 8 -6.203 -1.003 -0.605 51 HA LYS 8 HA LYS 8 -4.796 -3.544 -1.053 52 HB2 LYS 8 HB3 LYS 8 -5.859 -2.885 -3.164 53 HB3 LYS 8 HB2 LYS 8 -5.061 -1.320 -3.082 54 HG2 LYS 8 HG3 LYS 8 -3.526 -2.281 -4.390 55 HG3 LYS 8 HG2 LYS 8 -2.938 -2.997 -2.888 56 HD2 LYS 8 HD3 LYS 8 -5.085 -4.353 -4.475 57 HD3 LYS 8 HD2 LYS 8 -3.390 -4.527 -4.935 58 HE2 LYS 8 HE3 LYS 8 -4.502 -5.142 -2.200 59 HE3 LYS 8 HE2 LYS 8 -4.210 -6.343 -3.456 60 HZ1 LYS 8 HZ1 LYS 8 -2.421 -5.524 -1.570 61 HZ2 LYS 8 HZ2 LYS 8 -1.917 -4.705 -2.961 62 HZ3 LYS 8 HZ3 LYS 8 -2.053 -6.391 -2.976 63 H TRP 9 H TRP 9 -2.624 -3.515 -0.764 64 HA TRP 9 HA TRP 9 -1.486 -1.072 0.383 65 HB2 TRP 9 HB3 TRP 9 -0.927 -3.976 0.591 66 HB3 TRP 9 HB2 TRP 9 0.394 -2.896 0.830 67 HD1 TRP 9 HD1 TRP 9 -1.877 -4.657 2.747 68 HE1 TRP 9 HE1 TRP 9 -2.299 -3.582 5.066 69 HE3 TRP 9 HE3 TRP 9 -0.023 -0.084 1.754 70 HZ2 TRP 9 HZ2 TRP 9 -1.865 -1.041 6.280 71 HZ3 TRP 9 HZ3 TRP 9 -0.054 1.638 3.495 72 HH2 TRP 9 HH2 TRP 9 -0.937 1.168 5.716 73 H THR 10 H THR 10 0.331 -0.087 -0.406 74 HA THR 10 HA THR 10 1.477 -1.161 -2.892 75 HB THR 10 HB THR 10 1.566 1.744 -2.759 76 HG1 THR 10 HG1 THR 10 -1.000 0.565 -2.992 77 HG21 THR 10 HG21 THR 10 1.739 1.354 -4.925 78 HG22 THR 10 HG22 THR 10 0.025 0.938 -4.935 79 HG23 THR 10 HG23 THR 10 1.238 -0.325 -4.717 80 H TRP 11 H TRP 11 3.598 -1.445 -2.765 81 HA TRP 11 HA TRP 11 5.039 -0.305 -0.512 82 HB2 TRP 11 HB3 TRP 11 5.341 -2.674 -0.929 83 HB3 TRP 11 HB2 TRP 11 5.859 -2.352 -2.581 84 HD1 TRP 11 HD1 TRP 11 8.390 -2.553 -2.835 85 HE1 TRP 11 HE1 TRP 11 10.443 -2.123 -1.344 86 HE3 TRP 11 HE3 TRP 11 6.003 -0.922 1.378 87 HZ2 TRP 11 HZ2 TRP 11 10.979 -1.208 1.274 88 HZ3 TRP 11 HZ3 TRP 11 7.356 -0.285 3.329 89 HH2 TRP 11 HH2 TRP 11 9.793 -0.427 3.279 90 H LYS 12 H LYS 12 7.030 0.812 -0.728 91 HA LYS 12 HA LYS 12 8.089 1.634 -3.218 92 HB2 LYS 12 HB3 LYS 12 6.003 3.331 -1.982 93 HB3 LYS 12 HB2 LYS 12 7.446 4.170 -2.533 94 HG2 LYS 12 HG3 LYS 12 6.722 4.110 -4.620 95 HG3 LYS 12 HG2 LYS 12 6.618 2.349 -4.562 96 HD2 LYS 12 HD3 LYS 12 4.386 2.370 -4.273 97 HD3 LYS 12 HD2 LYS 12 4.445 3.747 -3.170 98 HE2 LYS 12 HE3 LYS 12 3.480 4.855 -4.870 99 HE3 LYS 12 HE2 LYS 12 5.119 4.931 -5.514 100 HZ1 LYS 12 HZ1 LYS 12 3.111 2.844 -6.175 101 HZ2 LYS 12 HZ2 LYS 12 4.673 2.954 -6.814 102 HZ3 LYS 12 HZ3 LYS 12 3.530 4.149 -7.166 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 8.097 3.799 4.854 2 H2 SER 1 HT2 SER 1 7.374 3.868 3.299 3 H3 SER 1 HT3 SER 1 8.181 2.442 3.810 4 HA SER 1 HA SER 1 6.573 1.987 5.411 5 HB2 SER 1 HB3 SER 1 5.029 4.441 4.625 6 HB3 SER 1 HB2 SER 1 4.948 3.507 6.119 7 HG SER 1 HG SER 1 6.234 4.989 6.863 8 H TRP 2 H TRP 2 4.031 1.734 4.933 9 HA TRP 2 HA TRP 2 3.893 0.823 2.147 10 HB2 TRP 2 HB3 TRP 2 2.786 -0.182 4.711 11 HB3 TRP 2 HB2 TRP 2 1.771 -0.379 3.286 12 HD1 TRP 2 HD1 TRP 2 5.071 -1.574 4.789 13 HE1 TRP 2 HE1 TRP 2 5.933 -3.576 3.421 14 HE3 TRP 2 HE3 TRP 2 1.662 -1.487 0.974 15 HZ2 TRP 2 HZ2 TRP 2 5.261 -4.929 1.029 16 HZ3 TRP 2 HZ3 TRP 2 1.855 -3.125 -0.808 17 HH2 TRP 2 HH2 TRP 2 3.608 -4.836 -0.789 18 H THR 3 H THR 3 1.814 1.021 0.998 19 HA THR 3 HA THR 3 0.337 3.412 1.923 20 HB THR 3 HB THR 3 0.229 2.978 -0.957 21 HG1 THR 3 HG1 THR 3 2.743 3.657 0.158 22 HG21 THR 3 HG21 THR 3 0.431 5.253 -1.112 23 HG22 THR 3 HG22 THR 3 1.420 5.375 0.343 24 HG23 THR 3 HG23 THR 3 -0.312 5.074 0.477 25 H TRP 4 H TRP 4 -1.693 3.051 2.362 26 HA TRP 4 HA TRP 4 -3.013 0.648 1.354 27 HB2 TRP 4 HB3 TRP 4 -2.966 1.357 3.830 28 HB3 TRP 4 HB2 TRP 4 -4.082 2.592 3.360 29 HD1 TRP 4 HD1 TRP 4 -6.267 1.867 4.388 30 HE1 TRP 4 HE1 TRP 4 -7.714 -0.275 4.309 31 HE3 TRP 4 HE3 TRP 4 -3.042 -1.082 1.912 32 HZ2 TRP 4 HZ2 TRP 4 -7.458 -2.916 3.293 33 HZ3 TRP 4 HZ3 TRP 4 -3.661 -3.426 1.405 34 HH2 TRP 4 HH2 TRP 4 -5.832 -4.321 2.091 35 H GLU 5 H GLU 5 -4.366 0.772 -0.338 36 HA GLU 5 HA GLU 5 -5.901 3.234 -0.738 37 HB2 GLU 5 HB3 GLU 5 -3.693 2.950 -2.179 38 HB3 GLU 5 HB2 GLU 5 -4.745 1.938 -3.159 39 HG2 GLU 5 HG3 GLU 5 -4.957 3.993 -4.167 40 HG3 GLU 5 HG2 GLU 5 -6.355 3.957 -3.093 41 H ASN 6 H ASN 6 -7.954 2.686 -0.749 42 HA ASN 6 HA ASN 6 -9.876 1.477 -0.951 43 HB2 ASN 6 HB3 ASN 6 -8.853 2.076 -3.430 44 HB3 ASN 6 HB2 ASN 6 -9.174 0.344 -3.561 45 HD21 ASN 6 HD21 ASN 6 -10.838 2.948 -1.828 46 HD22 ASN 6 HD22 ASN 6 -12.373 2.698 -2.576 47 H GLY 7 H GLY 7 -8.132 0.001 0.575 48 HA2 GLY 7 HA3 GLY 7 -8.159 -2.145 1.436 49 HA3 GLY 7 HA2 GLY 7 -9.120 -2.651 0.054 50 H LYS 8 H LYS 8 -6.165 -0.988 -0.631 51 HA LYS 8 HA LYS 8 -4.798 -3.554 -1.073 52 HB2 LYS 8 HB3 LYS 8 -5.937 -2.171 -3.122 53 HB3 LYS 8 HB2 LYS 8 -4.318 -1.487 -3.120 54 HG2 LYS 8 HG3 LYS 8 -4.925 -4.432 -3.265 55 HG3 LYS 8 HG2 LYS 8 -4.591 -3.401 -4.656 56 HD2 LYS 8 HD3 LYS 8 -2.421 -3.775 -4.366 57 HD3 LYS 8 HD2 LYS 8 -2.514 -2.948 -2.812 58 HE2 LYS 8 HE3 LYS 8 -3.231 -5.132 -1.804 59 HE3 LYS 8 HE2 LYS 8 -2.866 -5.891 -3.353 60 HZ1 LYS 8 HZ1 LYS 8 -0.894 -4.348 -1.758 61 HZ2 LYS 8 HZ2 LYS 8 -0.587 -5.272 -3.141 62 HZ3 LYS 8 HZ3 LYS 8 -1.045 -6.033 -1.702 63 H TRP 9 H TRP 9 -2.639 -3.574 -0.712 64 HA TRP 9 HA TRP 9 -1.449 -1.138 0.416 65 HB2 TRP 9 HB3 TRP 9 -0.977 -4.059 0.713 66 HB3 TRP 9 HB2 TRP 9 0.357 -2.999 0.972 67 HD1 TRP 9 HD1 TRP 9 -2.010 -4.685 2.844 68 HE1 TRP 9 HE1 TRP 9 -2.473 -3.567 5.135 69 HE3 TRP 9 HE3 TRP 9 -0.024 -0.169 1.841 70 HZ2 TRP 9 HZ2 TRP 9 -2.015 -1.018 6.326 71 HZ3 TRP 9 HZ3 TRP 9 -0.066 1.577 3.556 72 HH2 TRP 9 HH2 TRP 9 -1.020 1.161 5.757 73 H THR 10 H THR 10 0.097 -0.056 -0.670 74 HA THR 10 HA THR 10 1.418 -1.435 -2.912 75 HB THR 10 HB THR 10 1.616 0.986 -3.851 76 HG1 THR 10 HG1 THR 10 -0.056 2.333 -3.205 77 HG21 THR 10 HG21 THR 10 0.319 -0.191 -5.260 78 HG22 THR 10 HG22 THR 10 -0.963 0.780 -4.537 79 HG23 THR 10 HG23 THR 10 -0.672 -0.864 -3.965 80 H TRP 11 H TRP 11 3.532 -1.605 -2.710 81 HA TRP 11 HA TRP 11 4.880 -0.219 -0.560 82 HB2 TRP 11 HB3 TRP 11 5.316 -2.584 -0.871 83 HB3 TRP 11 HB2 TRP 11 5.850 -2.301 -2.526 84 HD1 TRP 11 HD1 TRP 11 8.395 -2.357 -2.728 85 HE1 TRP 11 HE1 TRP 11 10.388 -1.755 -1.214 86 HE3 TRP 11 HE3 TRP 11 5.826 -0.723 1.371 87 HZ2 TRP 11 HZ2 TRP 11 10.811 -0.718 1.381 88 HZ3 TRP 11 HZ3 TRP 11 7.093 0.058 3.323 89 HH2 TRP 11 HH2 TRP 11 9.535 0.061 3.332 90 H LYS 12 H LYS 12 6.794 1.007 -0.793 91 HA LYS 12 HA LYS 12 7.862 1.782 -3.292 92 HB2 LYS 12 HB3 LYS 12 5.610 3.367 -2.228 93 HB3 LYS 12 HB2 LYS 12 7.013 4.302 -2.726 94 HG2 LYS 12 HG3 LYS 12 6.485 4.079 -4.864 95 HG3 LYS 12 HG2 LYS 12 6.378 2.324 -4.712 96 HD2 LYS 12 HD3 LYS 12 4.223 2.820 -5.321 97 HD3 LYS 12 HD2 LYS 12 4.079 2.895 -3.564 98 HE2 LYS 12 HE3 LYS 12 4.375 5.325 -3.648 99 HE3 LYS 12 HE2 LYS 12 4.510 5.246 -5.404 100 HZ1 LYS 12 HZ1 LYS 12 2.265 4.491 -5.561 101 HZ2 LYS 12 HZ2 LYS 12 2.276 5.881 -4.597 102 HZ3 LYS 12 HZ3 LYS 12 2.123 4.356 -3.880 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 8.204 2.418 3.224 2 H2 SER 1 HT2 SER 1 8.134 3.849 4.169 3 H3 SER 1 HT3 SER 1 7.312 3.770 2.664 4 HA SER 1 HA SER 1 6.718 1.981 4.913 5 HB2 SER 1 HB3 SER 1 5.647 4.725 4.240 6 HB3 SER 1 HB2 SER 1 4.750 3.581 5.238 7 HG SER 1 HG SER 1 6.869 5.152 5.887 8 H TRP 2 H TRP 2 4.107 1.783 4.654 9 HA TRP 2 HA TRP 2 3.742 0.775 1.920 10 HB2 TRP 2 HB3 TRP 2 2.834 -0.141 4.597 11 HB3 TRP 2 HB2 TRP 2 1.720 -0.385 3.258 12 HD1 TRP 2 HD1 TRP 2 4.938 -1.708 4.721 13 HE1 TRP 2 HE1 TRP 2 5.759 -3.710 3.326 14 HE3 TRP 2 HE3 TRP 2 1.686 -1.354 0.785 15 HZ2 TRP 2 HZ2 TRP 2 5.120 -4.962 0.872 16 HZ3 TRP 2 HZ3 TRP 2 1.872 -2.953 -1.040 17 HH2 TRP 2 HH2 TRP 2 3.545 -4.742 -1.003 18 H THR 3 H THR 3 1.756 1.124 0.806 19 HA THR 3 HA THR 3 0.257 3.454 1.840 20 HB THR 3 HB THR 3 0.664 2.720 -1.062 21 HG1 THR 3 HG1 THR 3 2.045 4.557 0.588 22 HG21 THR 3 HG21 THR 3 -1.242 4.074 -0.939 23 HG22 THR 3 HG22 THR 3 0.079 5.162 -1.364 24 HG23 THR 3 HG23 THR 3 -0.526 5.114 0.292 25 H TRP 4 H TRP 4 -1.768 3.053 2.351 26 HA TRP 4 HA TRP 4 -3.077 0.649 1.330 27 HB2 TRP 4 HB3 TRP 4 -2.980 1.319 3.823 28 HB3 TRP 4 HB2 TRP 4 -4.147 2.524 3.398 29 HD1 TRP 4 HD1 TRP 4 -6.280 1.708 4.467 30 HE1 TRP 4 HE1 TRP 4 -7.662 -0.475 4.376 31 HE3 TRP 4 HE3 TRP 4 -3.028 -1.091 1.853 32 HZ2 TRP 4 HZ2 TRP 4 -7.353 -3.085 3.297 33 HZ3 TRP 4 HZ3 TRP 4 -3.590 -3.441 1.308 34 HH2 TRP 4 HH2 TRP 4 -5.716 -4.414 2.027 35 H GLU 5 H GLU 5 -4.473 0.779 -0.320 36 HA GLU 5 HA GLU 5 -6.066 3.214 -0.637 37 HB2 GLU 5 HB3 GLU 5 -5.643 3.133 -3.111 38 HB3 GLU 5 HB2 GLU 5 -4.258 3.609 -2.137 39 HG2 GLU 5 HG3 GLU 5 -3.383 1.317 -2.302 40 HG3 GLU 5 HG2 GLU 5 -4.747 0.892 -3.336 41 H ASN 6 H ASN 6 -8.102 2.602 -0.576 42 HA ASN 6 HA ASN 6 -9.998 1.349 -0.750 43 HB2 ASN 6 HB3 ASN 6 -9.081 2.054 -3.241 44 HB3 ASN 6 HB2 ASN 6 -9.363 0.319 -3.418 45 HD21 ASN 6 HD21 ASN 6 -11.027 2.823 -1.543 46 HD22 ASN 6 HD22 ASN 6 -12.582 2.557 -2.244 47 H GLY 7 H GLY 7 -8.164 -0.131 0.665 48 HA2 GLY 7 HA3 GLY 7 -8.135 -2.306 1.458 49 HA3 GLY 7 HA2 GLY 7 -9.100 -2.791 0.071 50 H LYS 8 H LYS 8 -6.215 -1.027 -0.627 51 HA LYS 8 HA LYS 8 -4.772 -3.537 -1.135 52 HB2 LYS 8 HB3 LYS 8 -5.852 -2.807 -3.228 53 HB3 LYS 8 HB2 LYS 8 -5.024 -1.261 -3.107 54 HG2 LYS 8 HG3 LYS 8 -3.604 -2.307 -4.525 55 HG3 LYS 8 HG2 LYS 8 -2.895 -2.840 -2.999 56 HD2 LYS 8 HD3 LYS 8 -4.802 -4.743 -3.415 57 HD3 LYS 8 HD2 LYS 8 -4.304 -4.373 -5.067 58 HE2 LYS 8 HE3 LYS 8 -2.737 -5.945 -4.604 59 HE3 LYS 8 HE2 LYS 8 -1.893 -4.547 -3.937 60 HZ1 LYS 8 HZ1 LYS 8 -3.190 -5.231 -1.795 61 HZ2 LYS 8 HZ2 LYS 8 -1.749 -6.013 -2.210 62 HZ3 LYS 8 HZ3 LYS 8 -3.235 -6.750 -2.540 63 H TRP 9 H TRP 9 -2.602 -3.487 -0.833 64 HA TRP 9 HA TRP 9 -1.498 -1.057 0.374 65 HB2 TRP 9 HB3 TRP 9 -0.909 -3.958 0.526 66 HB3 TRP 9 HB2 TRP 9 0.398 -2.868 0.797 67 HD1 TRP 9 HD1 TRP 9 -1.865 -4.695 2.662 68 HE1 TRP 9 HE1 TRP 9 -2.315 -3.672 5.000 69 HE3 TRP 9 HE3 TRP 9 -0.058 -0.080 1.774 70 HZ2 TRP 9 HZ2 TRP 9 -1.919 -1.151 6.268 71 HZ3 TRP 9 HZ3 TRP 9 -0.120 1.605 3.551 72 HH2 TRP 9 HH2 TRP 9 -1.013 1.080 5.755 73 H THR 10 H THR 10 0.326 -0.046 -0.379 74 HA THR 10 HA THR 10 1.483 -1.055 -2.887 75 HB THR 10 HB THR 10 1.602 1.828 -2.744 76 HG1 THR 10 HG1 THR 10 -1.009 0.733 -2.835 77 HG21 THR 10 HG21 THR 10 -0.082 1.069 -4.830 78 HG22 THR 10 HG22 THR 10 1.106 -0.226 -4.679 79 HG23 THR 10 HG23 THR 10 1.640 1.439 -4.916 80 H TRP 11 H TRP 11 3.606 -1.332 -2.766 81 HA TRP 11 HA TRP 11 5.042 -0.228 -0.489 82 HB2 TRP 11 HB3 TRP 11 5.327 -2.599 -0.953 83 HB3 TRP 11 HB2 TRP 11 5.883 -2.240 -2.585 84 HD1 TRP 11 HD1 TRP 11 8.414 -2.496 -2.769 85 HE1 TRP 11 HE1 TRP 11 10.436 -2.089 -1.229 86 HE3 TRP 11 HE3 TRP 11 5.946 -0.834 1.386 87 HZ2 TRP 11 HZ2 TRP 11 10.920 -1.179 1.401 88 HZ3 TRP 11 HZ3 TRP 11 7.260 -0.214 3.369 89 HH2 TRP 11 HH2 TRP 11 9.696 -0.384 3.377 90 H LYS 12 H LYS 12 7.032 0.894 -0.690 91 HA LYS 12 HA LYS 12 8.221 1.696 -3.082 92 HB2 LYS 12 HB3 LYS 12 7.452 4.148 -2.994 93 HB3 LYS 12 HB2 LYS 12 6.361 2.972 -3.714 94 HG2 LYS 12 HG3 LYS 12 5.751 3.083 -0.962 95 HG3 LYS 12 HG2 LYS 12 5.907 4.746 -1.531 96 HD2 LYS 12 HD3 LYS 12 4.277 2.697 -3.008 97 HD3 LYS 12 HD2 LYS 12 3.601 3.665 -1.696 98 HE2 LYS 12 HE3 LYS 12 3.548 5.547 -2.938 99 HE3 LYS 12 HE2 LYS 12 5.067 5.174 -3.753 100 HZ1 LYS 12 HZ1 LYS 12 2.700 5.083 -4.952 101 HZ2 LYS 12 HZ2 LYS 12 2.809 3.477 -4.432 102 HZ3 LYS 12 HZ3 LYS 12 4.013 4.127 -5.426 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 7.399 3.691 2.814 2 H2 SER 1 HT2 SER 1 8.260 2.306 3.346 3 H3 SER 1 HT3 SER 1 8.201 3.712 4.329 4 HA SER 1 HA SER 1 6.745 1.872 5.025 5 HB2 SER 1 HB3 SER 1 6.040 4.705 4.522 6 HB3 SER 1 HB2 SER 1 4.696 3.645 4.946 7 HG SER 1 HG SER 1 6.679 4.629 6.514 8 H TRP 2 H TRP 2 4.111 1.754 4.683 9 HA TRP 2 HA TRP 2 3.826 0.709 1.951 10 HB2 TRP 2 HB3 TRP 2 2.829 -0.174 4.606 11 HB3 TRP 2 HB2 TRP 2 1.744 -0.405 3.242 12 HD1 TRP 2 HD1 TRP 2 4.952 -1.734 4.752 13 HE1 TRP 2 HE1 TRP 2 5.747 -3.778 3.403 14 HE3 TRP 2 HE3 TRP 2 1.680 -1.448 0.828 15 HZ2 TRP 2 HZ2 TRP 2 5.082 -5.084 0.984 16 HZ3 TRP 2 HZ3 TRP 2 1.841 -3.093 -0.958 17 HH2 TRP 2 HH2 TRP 2 3.497 -4.896 -0.887 18 H THR 3 H THR 3 1.817 1.022 0.814 19 HA THR 3 HA THR 3 0.369 3.423 1.752 20 HB THR 3 HB THR 3 0.770 2.582 -1.121 21 HG1 THR 3 HG1 THR 3 2.713 3.303 -0.765 22 HG21 THR 3 HG21 THR 3 0.377 5.349 -0.870 23 HG22 THR 3 HG22 THR 3 -0.883 4.565 0.084 24 HG23 THR 3 HG23 THR 3 -0.686 4.160 -1.622 25 H TRP 4 H TRP 4 -1.668 3.084 2.263 26 HA TRP 4 HA TRP 4 -3.025 0.678 1.307 27 HB2 TRP 4 HB3 TRP 4 -2.919 1.409 3.781 28 HB3 TRP 4 HB2 TRP 4 -4.055 2.631 3.323 29 HD1 TRP 4 HD1 TRP 4 -6.210 1.897 4.405 30 HE1 TRP 4 HE1 TRP 4 -7.646 -0.254 4.367 31 HE3 TRP 4 HE3 TRP 4 -3.021 -1.051 1.877 32 HZ2 TRP 4 HZ2 TRP 4 -7.398 -2.898 3.359 33 HZ3 TRP 4 HZ3 TRP 4 -3.639 -3.399 1.394 34 HH2 TRP 4 HH2 TRP 4 -5.791 -4.301 2.131 35 H GLU 5 H GLU 5 -4.414 0.795 -0.350 36 HA GLU 5 HA GLU 5 -5.952 3.256 -0.735 37 HB2 GLU 5 HB3 GLU 5 -5.529 3.051 -3.222 38 HB3 GLU 5 HB2 GLU 5 -4.174 3.609 -2.251 39 HG2 GLU 5 HG3 GLU 5 -2.938 2.028 -3.173 40 HG3 GLU 5 HG2 GLU 5 -3.927 0.830 -2.340 41 H ASN 6 H ASN 6 -8.002 2.696 -0.674 42 HA ASN 6 HA ASN 6 -9.927 1.483 -0.823 43 HB2 ASN 6 HB3 ASN 6 -8.976 2.090 -3.329 44 HB3 ASN 6 HB2 ASN 6 -9.303 0.359 -3.455 45 HD21 ASN 6 HD21 ASN 6 -10.911 2.960 -1.666 46 HD22 ASN 6 HD22 ASN 6 -12.468 2.714 -2.369 47 H GLY 7 H GLY 7 -8.137 0.003 0.647 48 HA2 GLY 7 HA3 GLY 7 -8.156 -2.147 1.504 49 HA3 GLY 7 HA2 GLY 7 -9.134 -2.650 0.133 50 H LYS 8 H LYS 8 -6.205 -0.979 -0.614 51 HA LYS 8 HA LYS 8 -4.824 -3.537 -1.048 52 HB2 LYS 8 HB3 LYS 8 -5.903 -2.808 -3.159 53 HB3 LYS 8 HB2 LYS 8 -4.980 -1.313 -3.087 54 HG2 LYS 8 HG3 LYS 8 -3.757 -2.612 -4.555 55 HG3 LYS 8 HG2 LYS 8 -2.913 -2.851 -3.023 56 HD2 LYS 8 HD3 LYS 8 -4.554 -4.884 -2.794 57 HD3 LYS 8 HD2 LYS 8 -4.659 -4.732 -4.549 58 HE2 LYS 8 HE3 LYS 8 -2.934 -6.290 -4.132 59 HE3 LYS 8 HE2 LYS 8 -2.133 -4.784 -4.576 60 HZ1 LYS 8 HZ1 LYS 8 -1.603 -4.357 -2.323 61 HZ2 LYS 8 HZ2 LYS 8 -1.166 -5.963 -2.620 62 HZ3 LYS 8 HZ3 LYS 8 -2.584 -5.618 -1.767 63 H TRP 9 H TRP 9 -2.653 -3.531 -0.746 64 HA TRP 9 HA TRP 9 -1.493 -1.095 0.395 65 HB2 TRP 9 HB3 TRP 9 -0.968 -4.005 0.624 66 HB3 TRP 9 HB2 TRP 9 0.362 -2.936 0.870 67 HD1 TRP 9 HD1 TRP 9 -1.948 -4.664 2.775 68 HE1 TRP 9 HE1 TRP 9 -2.380 -3.572 5.084 69 HE3 TRP 9 HE3 TRP 9 -0.028 -0.119 1.777 70 HZ2 TRP 9 HZ2 TRP 9 -1.927 -1.030 6.289 71 HZ3 TRP 9 HZ3 TRP 9 -0.055 1.612 3.510 72 HH2 TRP 9 HH2 TRP 9 -0.966 1.165 5.724 73 H THR 10 H THR 10 0.333 -0.132 -0.401 74 HA THR 10 HA THR 10 1.479 -1.247 -2.869 75 HB THR 10 HB THR 10 1.660 1.624 -2.868 76 HG1 THR 10 HG1 THR 10 -0.987 0.618 -2.796 77 HG21 THR 10 HG21 THR 10 1.599 1.129 -5.018 78 HG22 THR 10 HG22 THR 10 -0.130 0.825 -4.849 79 HG23 THR 10 HG23 THR 10 1.020 -0.502 -4.678 80 H TRP 11 H TRP 11 3.598 -1.547 -2.734 81 HA TRP 11 HA TRP 11 5.044 -0.387 -0.494 82 HB2 TRP 11 HB3 TRP 11 5.304 -2.773 -0.890 83 HB3 TRP 11 HB2 TRP 11 5.868 -2.467 -2.529 84 HD1 TRP 11 HD1 TRP 11 8.397 -2.755 -2.697 85 HE1 TRP 11 HE1 TRP 11 10.419 -2.324 -1.164 86 HE3 TRP 11 HE3 TRP 11 5.935 -0.946 1.398 87 HZ2 TRP 11 HZ2 TRP 11 10.905 -1.342 1.439 88 HZ3 TRP 11 HZ3 TRP 11 7.249 -0.282 3.366 89 HH2 TRP 11 HH2 TRP 11 9.683 -0.476 3.387 90 H LYS 12 H LYS 12 7.046 0.709 -0.725 91 HA LYS 12 HA LYS 12 8.246 1.428 -3.137 92 HB2 LYS 12 HB3 LYS 12 7.512 3.828 -3.263 93 HB3 LYS 12 HB2 LYS 12 6.284 2.657 -3.723 94 HG2 LYS 12 HG3 LYS 12 5.647 2.901 -1.155 95 HG3 LYS 12 HG2 LYS 12 6.393 4.482 -1.397 96 HD2 LYS 12 HD3 LYS 12 4.815 4.273 -3.610 97 HD3 LYS 12 HD2 LYS 12 3.851 3.418 -2.405 98 HE2 LYS 12 HE3 LYS 12 3.284 5.795 -2.483 99 HE3 LYS 12 HE2 LYS 12 3.968 5.345 -0.921 100 HZ1 LYS 12 HZ1 LYS 12 4.774 7.452 -2.320 101 HZ2 LYS 12 HZ2 LYS 12 5.859 6.297 -2.912 102 HZ3 LYS 12 HZ3 LYS 12 5.783 6.611 -1.252 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 8.272 2.378 3.156 2 H2 SER 1 HT2 SER 1 8.211 3.800 4.115 3 H3 SER 1 HT3 SER 1 7.378 3.737 2.616 4 HA SER 1 HA SER 1 6.800 1.943 4.868 5 HB2 SER 1 HB3 SER 1 6.528 4.384 5.433 6 HB3 SER 1 HB2 SER 1 5.356 4.497 4.120 7 HG SER 1 HG SER 1 5.182 2.954 6.488 8 H TRP 2 H TRP 2 4.130 1.862 4.575 9 HA TRP 2 HA TRP 2 3.794 0.776 1.862 10 HB2 TRP 2 HB3 TRP 2 2.884 -0.119 4.544 11 HB3 TRP 2 HB2 TRP 2 1.768 -0.368 3.208 12 HD1 TRP 2 HD1 TRP 2 4.996 -1.681 4.664 13 HE1 TRP 2 HE1 TRP 2 5.805 -3.697 3.282 14 HE3 TRP 2 HE3 TRP 2 1.710 -1.366 0.754 15 HZ2 TRP 2 HZ2 TRP 2 5.146 -4.971 0.846 16 HZ3 TRP 2 HZ3 TRP 2 1.880 -2.983 -1.057 17 HH2 TRP 2 HH2 TRP 2 3.554 -4.770 -1.018 18 H THR 3 H THR 3 1.806 1.114 0.744 19 HA THR 3 HA THR 3 0.321 3.466 1.745 20 HB THR 3 HB THR 3 0.171 2.917 -1.141 21 HG1 THR 3 HG1 THR 3 2.308 2.444 -0.991 22 HG21 THR 3 HG21 THR 3 0.332 5.250 0.645 23 HG22 THR 3 HG22 THR 3 -0.638 4.985 -0.804 24 HG23 THR 3 HG23 THR 3 1.063 5.429 -0.950 25 H TRP 4 H TRP 4 -1.705 3.087 2.278 26 HA TRP 4 HA TRP 4 -3.033 0.671 1.307 27 HB2 TRP 4 HB3 TRP 4 -2.913 1.377 3.789 28 HB3 TRP 4 HB2 TRP 4 -4.078 2.581 3.355 29 HD1 TRP 4 HD1 TRP 4 -6.203 1.792 4.457 30 HE1 TRP 4 HE1 TRP 4 -7.598 -0.385 4.409 31 HE3 TRP 4 HE3 TRP 4 -2.991 -1.063 1.851 32 HZ2 TRP 4 HZ2 TRP 4 -7.314 -3.011 3.364 33 HZ3 TRP 4 HZ3 TRP 4 -3.572 -3.416 1.345 34 HH2 TRP 4 HH2 TRP 4 -5.697 -4.367 2.097 35 H GLU 5 H GLU 5 -4.442 0.782 -0.333 36 HA GLU 5 HA GLU 5 -6.025 3.221 -0.675 37 HB2 GLU 5 HB3 GLU 5 -3.839 2.866 -2.211 38 HB3 GLU 5 HB2 GLU 5 -5.024 1.998 -3.177 39 HG2 GLU 5 HG3 GLU 5 -5.976 4.588 -2.252 40 HG3 GLU 5 HG2 GLU 5 -4.535 4.691 -3.262 41 H ASN 6 H ASN 6 -8.064 2.621 -0.590 42 HA ASN 6 HA ASN 6 -9.968 1.375 -0.730 43 HB2 ASN 6 HB3 ASN 6 -9.068 2.039 -3.238 44 HB3 ASN 6 HB2 ASN 6 -9.357 0.303 -3.389 45 HD21 ASN 6 HD21 ASN 6 -10.998 2.840 -1.538 46 HD22 ASN 6 HD22 ASN 6 -12.559 2.569 -2.223 47 H GLY 7 H GLY 7 -8.130 -0.093 0.692 48 HA2 GLY 7 HA3 GLY 7 -8.104 -2.257 1.516 49 HA3 GLY 7 HA2 GLY 7 -9.086 -2.757 0.146 50 H LYS 8 H LYS 8 -6.196 -1.019 -0.601 51 HA LYS 8 HA LYS 8 -4.771 -3.543 -1.089 52 HB2 LYS 8 HB3 LYS 8 -5.852 -2.852 -3.186 53 HB3 LYS 8 HB2 LYS 8 -5.051 -1.291 -3.085 54 HG2 LYS 8 HG3 LYS 8 -3.500 -2.218 -4.390 55 HG3 LYS 8 HG2 LYS 8 -2.942 -3.011 -2.916 56 HD2 LYS 8 HD3 LYS 8 -4.914 -4.151 -4.895 57 HD3 LYS 8 HD2 LYS 8 -3.216 -4.610 -4.751 58 HE2 LYS 8 HE3 LYS 8 -5.227 -4.863 -2.521 59 HE3 LYS 8 HE2 LYS 8 -4.824 -6.169 -3.634 60 HZ1 LYS 8 HZ1 LYS 8 -3.589 -5.783 -1.314 61 HZ2 LYS 8 HZ2 LYS 8 -2.574 -4.883 -2.323 62 HZ3 LYS 8 HZ3 LYS 8 -2.849 -6.520 -2.645 63 H TRP 9 H TRP 9 -2.598 -3.501 -0.805 64 HA TRP 9 HA TRP 9 -1.475 -1.061 0.365 65 HB2 TRP 9 HB3 TRP 9 -0.899 -3.963 0.550 66 HB3 TRP 9 HB2 TRP 9 0.416 -2.876 0.798 67 HD1 TRP 9 HD1 TRP 9 -1.846 -4.665 2.701 68 HE1 TRP 9 HE1 TRP 9 -2.275 -3.610 5.028 69 HE3 TRP 9 HE3 TRP 9 -0.017 -0.074 1.742 70 HZ2 TRP 9 HZ2 TRP 9 -1.856 -1.075 6.260 71 HZ3 TRP 9 HZ3 TRP 9 -0.058 1.634 3.497 72 HH2 TRP 9 HH2 TRP 9 -0.940 1.144 5.713 73 H THR 10 H THR 10 0.332 -0.057 -0.419 74 HA THR 10 HA THR 10 1.485 -1.106 -2.913 75 HB THR 10 HB THR 10 1.583 1.786 -2.803 76 HG1 THR 10 HG1 THR 10 -0.645 2.133 -3.076 77 HG21 THR 10 HG21 THR 10 1.132 -0.295 -4.723 78 HG22 THR 10 HG22 THR 10 1.655 1.372 -4.970 79 HG23 THR 10 HG23 THR 10 -0.066 0.988 -4.901 80 H TRP 11 H TRP 11 3.609 -1.374 -2.788 81 HA TRP 11 HA TRP 11 5.041 -0.242 -0.526 82 HB2 TRP 11 HB3 TRP 11 5.360 -2.604 -0.969 83 HB3 TRP 11 HB2 TRP 11 5.879 -2.259 -2.617 84 HD1 TRP 11 HD1 TRP 11 8.410 -2.451 -2.865 85 HE1 TRP 11 HE1 TRP 11 10.459 -2.019 -1.368 86 HE3 TRP 11 HE3 TRP 11 6.009 -0.857 1.356 87 HZ2 TRP 11 HZ2 TRP 11 10.987 -1.118 1.256 88 HZ3 TRP 11 HZ3 TRP 11 7.357 -0.227 3.313 89 HH2 TRP 11 HH2 TRP 11 9.795 -0.355 3.264 90 H LYS 12 H LYS 12 7.021 0.897 -0.732 91 HA LYS 12 HA LYS 12 8.112 1.739 -3.186 92 HB2 LYS 12 HB3 LYS 12 5.837 3.268 -2.208 93 HB3 LYS 12 HB2 LYS 12 7.274 4.268 -2.379 94 HG2 LYS 12 HG3 LYS 12 7.327 4.053 -4.644 95 HG3 LYS 12 HG2 LYS 12 6.574 2.457 -4.622 96 HD2 LYS 12 HD3 LYS 12 4.504 3.308 -4.784 97 HD3 LYS 12 HD2 LYS 12 4.842 4.590 -3.620 98 HE2 LYS 12 HE3 LYS 12 5.326 6.085 -5.224 99 HE3 LYS 12 HE2 LYS 12 6.212 4.905 -6.190 100 HZ1 LYS 12 HZ1 LYS 12 3.261 5.221 -6.079 101 HZ2 LYS 12 HZ2 LYS 12 4.072 4.020 -6.951 102 HZ3 LYS 12 HZ3 LYS 12 4.268 5.647 -7.370 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 8.413 3.401 4.384 2 H2 SER 1 HT2 SER 1 7.609 3.759 2.910 3 H3 SER 1 HT3 SER 1 8.184 2.170 3.213 4 HA SER 1 HA SER 1 6.670 1.987 5.065 5 HB2 SER 1 HB3 SER 1 4.790 3.832 4.890 6 HB3 SER 1 HB2 SER 1 6.259 4.145 5.813 7 HG SER 1 HG SER 1 6.995 5.442 4.237 8 H TRP 2 H TRP 2 4.120 1.867 4.635 9 HA TRP 2 HA TRP 2 3.845 0.812 1.903 10 HB2 TRP 2 HB3 TRP 2 2.875 -0.114 4.553 11 HB3 TRP 2 HB2 TRP 2 1.786 -0.344 3.192 12 HD1 TRP 2 HD1 TRP 2 5.035 -1.632 4.657 13 HE1 TRP 2 HE1 TRP 2 5.849 -3.649 3.281 14 HE3 TRP 2 HE3 TRP 2 1.704 -1.376 0.781 15 HZ2 TRP 2 HZ2 TRP 2 5.175 -4.948 0.861 16 HZ3 TRP 2 HZ3 TRP 2 1.870 -3.003 -1.020 17 HH2 TRP 2 HH2 TRP 2 3.561 -4.775 -0.986 18 H THR 3 H THR 3 1.819 1.102 0.788 19 HA THR 3 HA THR 3 0.346 3.475 1.760 20 HB THR 3 HB THR 3 0.302 2.858 -1.137 21 HG1 THR 3 HG1 THR 3 2.457 2.577 -0.870 22 HG21 THR 3 HG21 THR 3 -0.766 4.840 -0.731 23 HG22 THR 3 HG22 THR 3 0.864 5.400 -1.102 24 HG23 THR 3 HG23 THR 3 0.331 5.290 0.575 25 H TRP 4 H TRP 4 -1.681 3.102 2.278 26 HA TRP 4 HA TRP 4 -3.007 0.683 1.317 27 HB2 TRP 4 HB3 TRP 4 -2.907 1.411 3.790 28 HB3 TRP 4 HB2 TRP 4 -4.057 2.621 3.336 29 HD1 TRP 4 HD1 TRP 4 -6.201 1.861 4.423 30 HE1 TRP 4 HE1 TRP 4 -7.612 -0.305 4.386 31 HE3 TRP 4 HE3 TRP 4 -2.986 -1.045 1.881 32 HZ2 TRP 4 HZ2 TRP 4 -7.337 -2.945 3.372 33 HZ3 TRP 4 HZ3 TRP 4 -3.578 -3.399 1.396 34 HH2 TRP 4 HH2 TRP 4 -5.717 -4.327 2.137 35 H GLU 5 H GLU 5 -4.399 0.781 -0.338 36 HA GLU 5 HA GLU 5 -5.974 3.218 -0.721 37 HB2 GLU 5 HB3 GLU 5 -3.802 2.978 -2.206 38 HB3 GLU 5 HB2 GLU 5 -4.835 1.912 -3.149 39 HG2 GLU 5 HG3 GLU 5 -5.011 4.029 -4.144 40 HG3 GLU 5 HG2 GLU 5 -6.502 3.802 -3.231 41 H ASN 6 H ASN 6 -8.018 2.639 -0.675 42 HA ASN 6 HA ASN 6 -9.927 1.402 -0.826 43 HB2 ASN 6 HB3 ASN 6 -8.974 2.005 -3.330 44 HB3 ASN 6 HB2 ASN 6 -9.273 0.268 -3.448 45 HD21 ASN 6 HD21 ASN 6 -10.929 2.857 -1.684 46 HD22 ASN 6 HD22 ASN 6 -12.479 2.583 -2.394 47 H GLY 7 H GLY 7 -8.128 -0.049 0.664 48 HA2 GLY 7 HA3 GLY 7 -8.123 -2.192 1.534 49 HA3 GLY 7 HA2 GLY 7 -9.098 -2.714 0.167 50 H LYS 8 H LYS 8 -6.195 -1.026 -0.626 51 HA LYS 8 HA LYS 8 -4.784 -3.571 -1.019 52 HB2 LYS 8 HB3 LYS 8 -5.926 -2.843 -3.121 53 HB3 LYS 8 HB2 LYS 8 -4.951 -1.384 -3.092 54 HG2 LYS 8 HG3 LYS 8 -4.150 -3.205 -4.616 55 HG3 LYS 8 HG2 LYS 8 -2.961 -2.579 -3.477 56 HD2 LYS 8 HD3 LYS 8 -2.988 -5.082 -3.751 57 HD3 LYS 8 HD2 LYS 8 -3.142 -4.503 -2.096 58 HE2 LYS 8 HE3 LYS 8 -5.751 -4.739 -3.209 59 HE3 LYS 8 HE2 LYS 8 -4.869 -6.227 -3.541 60 HZ1 LYS 8 HZ1 LYS 8 -5.235 -6.836 -1.459 61 HZ2 LYS 8 HZ2 LYS 8 -6.009 -5.372 -1.117 62 HZ3 LYS 8 HZ3 LYS 8 -4.337 -5.515 -0.898 63 H TRP 9 H TRP 9 -2.617 -3.526 -0.724 64 HA TRP 9 HA TRP 9 -1.478 -1.069 0.380 65 HB2 TRP 9 HB3 TRP 9 -0.908 -3.973 0.608 66 HB3 TRP 9 HB2 TRP 9 0.406 -2.883 0.843 67 HD1 TRP 9 HD1 TRP 9 -1.870 -4.647 2.765 68 HE1 TRP 9 HE1 TRP 9 -2.293 -3.562 5.079 69 HE3 TRP 9 HE3 TRP 9 -0.010 -0.079 1.756 70 HZ2 TRP 9 HZ2 TRP 9 -1.857 -1.016 6.284 71 HZ3 TRP 9 HZ3 TRP 9 -0.040 1.649 3.489 72 HH2 TRP 9 HH2 TRP 9 -0.925 1.190 5.712 73 H THR 10 H THR 10 0.300 -0.068 -0.461 74 HA THR 10 HA THR 10 1.460 -1.199 -2.914 75 HB THR 10 HB THR 10 1.440 1.729 -2.819 76 HG1 THR 10 HG1 THR 10 -0.623 1.302 -1.912 77 HG21 THR 10 HG21 THR 10 1.684 1.405 -4.986 78 HG22 THR 10 HG22 THR 10 0.068 0.703 -5.062 79 HG23 THR 10 HG23 THR 10 1.466 -0.331 -4.764 80 H TRP 11 H TRP 11 3.584 -1.441 -2.785 81 HA TRP 11 HA TRP 11 5.011 -0.232 -0.564 82 HB2 TRP 11 HB3 TRP 11 5.342 -2.607 -0.983 83 HB3 TRP 11 HB2 TRP 11 5.891 -2.267 -2.621 84 HD1 TRP 11 HD1 TRP 11 8.428 -2.471 -2.798 85 HE1 TRP 11 HE1 TRP 11 10.439 -1.988 -1.265 86 HE3 TRP 11 HE3 TRP 11 5.918 -0.783 1.319 87 HZ2 TRP 11 HZ2 TRP 11 10.898 -1.017 1.347 88 HZ3 TRP 11 HZ3 TRP 11 7.213 -0.095 3.290 89 HH2 TRP 11 HH2 TRP 11 9.653 -0.210 3.306 90 H LYS 12 H LYS 12 6.974 0.927 -0.796 91 HA LYS 12 HA LYS 12 8.126 1.708 -3.216 92 HB2 LYS 12 HB3 LYS 12 7.325 4.111 -3.244 93 HB3 LYS 12 HB2 LYS 12 6.161 2.910 -3.784 94 HG2 LYS 12 HG3 LYS 12 5.517 3.031 -1.179 95 HG3 LYS 12 HG2 LYS 12 6.113 4.673 -1.427 96 HD2 LYS 12 HD3 LYS 12 3.978 3.308 -3.066 97 HD3 LYS 12 HD2 LYS 12 3.696 4.515 -1.811 98 HE2 LYS 12 HE3 LYS 12 5.607 5.310 -3.897 99 HE3 LYS 12 HE2 LYS 12 3.952 5.069 -4.457 100 HZ1 LYS 12 HZ1 LYS 12 4.088 7.304 -3.825 101 HZ2 LYS 12 HZ2 LYS 12 4.926 6.957 -2.397 102 HZ3 LYS 12 HZ3 LYS 12 3.291 6.550 -2.537 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 8.498 3.244 4.042 2 H2 SER 1 HT2 SER 1 7.491 3.995 2.873 3 H3 SER 1 HT3 SER 1 8.011 2.375 2.647 4 HA SER 1 HA SER 1 6.849 1.880 4.794 5 HB2 SER 1 HB3 SER 1 6.149 4.713 4.273 6 HB3 SER 1 HB2 SER 1 4.820 3.675 4.787 7 HG SER 1 HG SER 1 5.962 4.664 6.543 8 H TRP 2 H TRP 2 4.202 1.784 4.578 9 HA TRP 2 HA TRP 2 3.773 0.718 1.873 10 HB2 TRP 2 HB3 TRP 2 2.909 -0.148 4.581 11 HB3 TRP 2 HB2 TRP 2 1.764 -0.394 3.269 12 HD1 TRP 2 HD1 TRP 2 4.972 -1.761 4.700 13 HE1 TRP 2 HE1 TRP 2 5.745 -3.787 3.312 14 HE3 TRP 2 HE3 TRP 2 1.696 -1.373 0.788 15 HZ2 TRP 2 HZ2 TRP 2 5.063 -5.042 0.871 16 HZ3 TRP 2 HZ3 TRP 2 1.836 -2.988 -1.028 17 HH2 TRP 2 HH2 TRP 2 3.477 -4.806 -0.993 18 H THR 3 H THR 3 1.795 1.109 0.781 19 HA THR 3 HA THR 3 0.327 3.447 1.840 20 HB THR 3 HB THR 3 -0.013 3.206 -0.993 21 HG1 THR 3 HG1 THR 3 2.126 3.454 -1.645 22 HG21 THR 3 HG21 THR 3 -0.220 5.359 -0.373 23 HG22 THR 3 HG22 THR 3 1.501 5.387 -0.761 24 HG23 THR 3 HG23 THR 3 0.977 5.222 0.915 25 H TRP 4 H TRP 4 -1.702 3.063 2.350 26 HA TRP 4 HA TRP 4 -3.028 0.668 1.336 27 HB2 TRP 4 HB3 TRP 4 -2.954 1.363 3.819 28 HB3 TRP 4 HB2 TRP 4 -4.096 2.583 3.370 29 HD1 TRP 4 HD1 TRP 4 -6.269 1.822 4.386 30 HE1 TRP 4 HE1 TRP 4 -7.680 -0.344 4.306 31 HE3 TRP 4 HE3 TRP 4 -2.991 -1.074 1.917 32 HZ2 TRP 4 HZ2 TRP 4 -7.379 -2.981 3.291 33 HZ3 TRP 4 HZ3 TRP 4 -3.570 -3.428 1.409 34 HH2 TRP 4 HH2 TRP 4 -5.727 -4.358 2.093 35 H GLU 5 H GLU 5 -4.404 0.786 -0.330 36 HA GLU 5 HA GLU 5 -5.975 3.227 -0.699 37 HB2 GLU 5 HB3 GLU 5 -3.987 2.092 -2.591 38 HB3 GLU 5 HB2 GLU 5 -5.482 2.716 -3.274 39 HG2 GLU 5 HG3 GLU 5 -4.090 4.546 -3.363 40 HG3 GLU 5 HG2 GLU 5 -4.972 4.817 -1.860 41 H ASN 6 H ASN 6 -8.022 2.656 -0.698 42 HA ASN 6 HA ASN 6 -9.930 1.423 -0.883 43 HB2 ASN 6 HB3 ASN 6 -8.935 2.033 -3.370 44 HB3 ASN 6 HB2 ASN 6 -9.238 0.298 -3.499 45 HD21 ASN 6 HD21 ASN 6 -10.914 2.886 -1.752 46 HD22 ASN 6 HD22 ASN 6 -12.453 2.619 -2.486 47 H GLY 7 H GLY 7 -8.157 -0.037 0.629 48 HA2 GLY 7 HA3 GLY 7 -8.173 -2.184 1.490 49 HA3 GLY 7 HA2 GLY 7 -9.124 -2.698 0.104 50 H LYS 8 H LYS 8 -6.214 -1.015 -0.652 51 HA LYS 8 HA LYS 8 -4.794 -3.562 -0.997 52 HB2 LYS 8 HB3 LYS 8 -5.810 -3.018 -3.148 53 HB3 LYS 8 HB2 LYS 8 -5.078 -1.421 -3.110 54 HG2 LYS 8 HG3 LYS 8 -3.585 -2.470 -4.454 55 HG3 LYS 8 HG2 LYS 8 -2.857 -2.848 -2.893 56 HD2 LYS 8 HD3 LYS 8 -4.901 -4.712 -3.993 57 HD3 LYS 8 HD2 LYS 8 -3.289 -4.719 -4.710 58 HE2 LYS 8 HE3 LYS 8 -3.853 -5.039 -1.765 59 HE3 LYS 8 HE2 LYS 8 -3.586 -6.376 -2.880 60 HZ1 LYS 8 HZ1 LYS 8 -1.379 -5.508 -3.338 61 HZ2 LYS 8 HZ2 LYS 8 -1.570 -5.804 -1.684 62 HZ3 LYS 8 HZ3 LYS 8 -1.635 -4.221 -2.271 63 H TRP 9 H TRP 9 -2.628 -3.520 -0.699 64 HA TRP 9 HA TRP 9 -1.503 -1.065 0.424 65 HB2 TRP 9 HB3 TRP 9 -0.918 -3.964 0.616 66 HB3 TRP 9 HB2 TRP 9 0.400 -2.877 0.844 67 HD1 TRP 9 HD1 TRP 9 -1.825 -4.664 2.786 68 HE1 TRP 9 HE1 TRP 9 -2.229 -3.598 5.112 69 HE3 TRP 9 HE3 TRP 9 -0.040 -0.065 1.777 70 HZ2 TRP 9 HZ2 TRP 9 -1.810 -1.054 6.325 71 HZ3 TRP 9 HZ3 TRP 9 -0.068 1.652 3.523 72 HH2 TRP 9 HH2 TRP 9 -0.916 1.167 5.754 73 H THR 10 H THR 10 0.337 -0.086 -0.343 74 HA THR 10 HA THR 10 1.450 -1.114 -2.863 75 HB THR 10 HB THR 10 1.521 1.801 -2.618 76 HG1 THR 10 HG1 THR 10 -0.535 1.417 -1.696 77 HG21 THR 10 HG21 THR 10 0.100 1.049 -4.892 78 HG22 THR 10 HG22 THR 10 1.334 -0.192 -4.670 79 HG23 THR 10 HG23 THR 10 1.801 1.505 -4.788 80 H TRP 11 H TRP 11 3.572 -1.415 -2.768 81 HA TRP 11 HA TRP 11 5.049 -0.320 -0.511 82 HB2 TRP 11 HB3 TRP 11 5.307 -2.693 -0.959 83 HB3 TRP 11 HB2 TRP 11 5.830 -2.356 -2.607 84 HD1 TRP 11 HD1 TRP 11 8.355 -2.614 -2.856 85 HE1 TRP 11 HE1 TRP 11 10.416 -2.225 -1.363 86 HE3 TRP 11 HE3 TRP 11 5.996 -0.948 1.360 87 HZ2 TRP 11 HZ2 TRP 11 10.967 -1.326 1.257 88 HZ3 TRP 11 HZ3 TRP 11 7.360 -0.342 3.313 89 HH2 TRP 11 HH2 TRP 11 9.794 -0.528 3.263 90 H LYS 12 H LYS 12 7.049 0.776 -0.740 91 HA LYS 12 HA LYS 12 8.157 1.578 -3.192 92 HB2 LYS 12 HB3 LYS 12 5.864 3.113 -2.320 93 HB3 LYS 12 HB2 LYS 12 7.299 4.126 -2.391 94 HG2 LYS 12 HG3 LYS 12 7.615 3.697 -4.683 95 HG3 LYS 12 HG2 LYS 12 6.471 2.354 -4.667 96 HD2 LYS 12 HD3 LYS 12 5.026 3.878 -5.474 97 HD3 LYS 12 HD2 LYS 12 4.903 4.390 -3.789 98 HE2 LYS 12 HE3 LYS 12 5.275 6.340 -5.108 99 HE3 LYS 12 HE2 LYS 12 6.765 5.999 -4.230 100 HZ1 LYS 12 HZ1 LYS 12 6.316 5.092 -7.013 101 HZ2 LYS 12 HZ2 LYS 12 7.777 5.164 -6.164 102 HZ3 LYS 12 HZ3 LYS 12 7.010 6.591 -6.647 Start of MODEL 11 1 H1 SER 1 HT1 SER 1 7.334 3.877 2.881 2 H2 SER 1 HT2 SER 1 8.114 2.374 3.160 3 H3 SER 1 HT3 SER 1 8.227 3.631 4.324 4 HA SER 1 HA SER 1 6.699 1.933 4.998 5 HB2 SER 1 HB3 SER 1 5.414 4.574 4.251 6 HB3 SER 1 HB2 SER 1 4.849 3.472 5.507 7 HG SER 1 HG SER 1 6.499 4.028 6.767 8 H TRP 2 H TRP 2 4.063 1.806 4.682 9 HA TRP 2 HA TRP 2 3.749 0.777 1.945 10 HB2 TRP 2 HB3 TRP 2 2.806 -0.151 4.606 11 HB3 TRP 2 HB2 TRP 2 1.707 -0.384 3.253 12 HD1 TRP 2 HD1 TRP 2 4.925 -1.706 4.730 13 HE1 TRP 2 HE1 TRP 2 5.748 -3.710 3.338 14 HE3 TRP 2 HE3 TRP 2 1.669 -1.365 0.796 15 HZ2 TRP 2 HZ2 TRP 2 5.109 -4.967 0.887 16 HZ3 TRP 2 HZ3 TRP 2 1.857 -2.968 -1.026 17 HH2 TRP 2 HH2 TRP 2 3.532 -4.753 -0.987 18 H THR 3 H THR 3 1.755 1.111 0.822 19 HA THR 3 HA THR 3 0.262 3.454 1.835 20 HB THR 3 HB THR 3 0.653 2.710 -1.065 21 HG1 THR 3 HG1 THR 3 2.627 3.348 -0.549 22 HG21 THR 3 HG21 THR 3 -0.151 4.846 -1.612 23 HG22 THR 3 HG22 THR 3 -0.100 5.382 0.067 24 HG23 THR 3 HG23 THR 3 -1.293 4.187 -0.441 25 H TRP 4 H TRP 4 -1.766 3.063 2.340 26 HA TRP 4 HA TRP 4 -3.079 0.657 1.329 27 HB2 TRP 4 HB3 TRP 4 -2.990 1.342 3.817 28 HB3 TRP 4 HB2 TRP 4 -4.150 2.550 3.379 29 HD1 TRP 4 HD1 TRP 4 -6.291 1.751 4.444 30 HE1 TRP 4 HE1 TRP 4 -7.683 -0.427 4.362 31 HE3 TRP 4 HE3 TRP 4 -3.039 -1.081 1.864 32 HZ2 TRP 4 HZ2 TRP 4 -7.380 -3.046 3.303 33 HZ3 TRP 4 HZ3 TRP 4 -3.609 -3.431 1.334 34 HH2 TRP 4 HH2 TRP 4 -5.743 -4.391 2.050 35 H GLU 5 H GLU 5 -4.467 0.779 -0.328 36 HA GLU 5 HA GLU 5 -6.050 3.216 -0.670 37 HB2 GLU 5 HB3 GLU 5 -3.866 2.985 -2.158 38 HB3 GLU 5 HB2 GLU 5 -4.923 1.969 -3.129 39 HG2 GLU 5 HG3 GLU 5 -6.475 4.180 -2.671 40 HG3 GLU 5 HG2 GLU 5 -4.858 4.864 -2.832 41 H ASN 6 H ASN 6 -8.089 2.616 -0.619 42 HA ASN 6 HA ASN 6 -9.990 1.369 -0.794 43 HB2 ASN 6 HB3 ASN 6 -9.052 2.045 -3.286 44 HB3 ASN 6 HB2 ASN 6 -9.343 0.310 -3.448 45 HD21 ASN 6 HD21 ASN 6 -11.005 2.842 -1.608 46 HD22 ASN 6 HD22 ASN 6 -12.556 2.577 -2.317 47 H GLY 7 H GLY 7 -8.172 -0.105 0.647 48 HA2 GLY 7 HA3 GLY 7 -8.153 -2.273 1.461 49 HA3 GLY 7 HA2 GLY 7 -9.117 -2.767 0.076 50 H LYS 8 H LYS 8 -6.222 -1.023 -0.631 51 HA LYS 8 HA LYS 8 -4.789 -3.545 -1.110 52 HB2 LYS 8 HB3 LYS 8 -5.841 -2.861 -3.218 53 HB3 LYS 8 HB2 LYS 8 -5.061 -1.289 -3.103 54 HG2 LYS 8 HG3 LYS 8 -3.468 -2.180 -4.376 55 HG3 LYS 8 HG2 LYS 8 -2.939 -3.005 -2.908 56 HD2 LYS 8 HD3 LYS 8 -4.930 -4.127 -4.877 57 HD3 LYS 8 HD2 LYS 8 -3.208 -4.516 -4.865 58 HE2 LYS 8 HE3 LYS 8 -5.040 -4.942 -2.511 59 HE3 LYS 8 HE2 LYS 8 -4.685 -6.184 -3.711 60 HZ1 LYS 8 HZ1 LYS 8 -2.378 -4.882 -2.524 61 HZ2 LYS 8 HZ2 LYS 8 -2.632 -6.513 -2.889 62 HZ3 LYS 8 HZ3 LYS 8 -3.285 -5.853 -1.476 63 H TRP 9 H TRP 9 -2.619 -3.501 -0.802 64 HA TRP 9 HA TRP 9 -1.508 -1.065 0.386 65 HB2 TRP 9 HB3 TRP 9 -0.932 -3.968 0.565 66 HB3 TRP 9 HB2 TRP 9 0.380 -2.881 0.829 67 HD1 TRP 9 HD1 TRP 9 -1.895 -4.683 2.704 68 HE1 TRP 9 HE1 TRP 9 -2.346 -3.640 5.032 69 HE3 TRP 9 HE3 TRP 9 -0.067 -0.084 1.783 70 HZ2 TRP 9 HZ2 TRP 9 -1.941 -1.111 6.281 71 HZ3 TRP 9 HZ3 TRP 9 -0.126 1.616 3.545 72 HH2 TRP 9 HH2 TRP 9 -1.025 1.112 5.752 73 H THR 10 H THR 10 0.306 -0.057 -0.385 74 HA THR 10 HA THR 10 1.480 -1.108 -2.868 75 HB THR 10 HB THR 10 1.473 1.819 -2.641 76 HG1 THR 10 HG1 THR 10 -0.611 1.373 -1.823 77 HG21 THR 10 HG21 THR 10 1.454 -0.189 -4.691 78 HG22 THR 10 HG22 THR 10 1.878 1.521 -4.791 79 HG23 THR 10 HG23 THR 10 0.198 1.016 -4.980 80 H TRP 11 H TRP 11 3.601 -1.376 -2.729 81 HA TRP 11 HA TRP 11 5.021 -0.242 -0.460 82 HB2 TRP 11 HB3 TRP 11 5.330 -2.610 -0.908 83 HB3 TRP 11 HB2 TRP 11 5.877 -2.259 -2.545 84 HD1 TRP 11 HD1 TRP 11 8.411 -2.481 -2.743 85 HE1 TRP 11 HE1 TRP 11 10.435 -2.056 -1.211 86 HE3 TRP 11 HE3 TRP 11 5.944 -0.848 1.423 87 HZ2 TRP 11 HZ2 TRP 11 10.921 -1.145 1.418 88 HZ3 TRP 11 HZ3 TRP 11 7.259 -0.217 3.402 89 HH2 TRP 11 HH2 TRP 11 9.697 -0.363 3.400 90 H LYS 12 H LYS 12 7.003 0.895 -0.656 91 HA LYS 12 HA LYS 12 8.168 1.708 -3.066 92 HB2 LYS 12 HB3 LYS 12 7.421 4.087 -3.110 93 HB3 LYS 12 HB2 LYS 12 6.153 2.940 -3.520 94 HG2 LYS 12 HG3 LYS 12 5.458 3.104 -1.068 95 HG3 LYS 12 HG2 LYS 12 6.497 4.529 -1.003 96 HD2 LYS 12 HD3 LYS 12 4.599 4.412 -3.260 97 HD3 LYS 12 HD2 LYS 12 3.884 4.609 -1.659 98 HE2 LYS 12 HE3 LYS 12 4.762 6.682 -1.370 99 HE3 LYS 12 HE2 LYS 12 6.217 6.312 -2.295 100 HZ1 LYS 12 HZ1 LYS 12 3.706 6.425 -3.772 101 HZ2 LYS 12 HZ2 LYS 12 5.254 6.927 -4.231 102 HZ3 LYS 12 HZ3 LYS 12 4.322 7.896 -3.206 Start of MODEL 12 1 H1 SER 1 HT1 SER 1 8.137 3.805 4.127 2 H2 SER 1 HT2 SER 1 7.338 3.650 2.616 3 H3 SER 1 HT3 SER 1 8.217 2.326 3.265 4 HA SER 1 HA SER 1 6.697 1.962 4.927 5 HB2 SER 1 HB3 SER 1 5.626 4.684 4.151 6 HB3 SER 1 HB2 SER 1 4.781 3.589 5.245 7 HG SER 1 HG SER 1 6.788 5.267 5.785 8 H TRP 2 H TRP 2 4.080 1.812 4.653 9 HA TRP 2 HA TRP 2 3.711 0.759 1.934 10 HB2 TRP 2 HB3 TRP 2 2.816 -0.140 4.622 11 HB3 TRP 2 HB2 TRP 2 1.695 -0.391 3.290 12 HD1 TRP 2 HD1 TRP 2 4.904 -1.721 4.756 13 HE1 TRP 2 HE1 TRP 2 5.727 -3.723 3.361 14 HE3 TRP 2 HE3 TRP 2 1.671 -1.354 0.806 15 HZ2 TRP 2 HZ2 TRP 2 5.098 -4.968 0.902 16 HZ3 TRP 2 HZ3 TRP 2 1.863 -2.950 -1.022 17 HH2 TRP 2 HH2 TRP 2 3.532 -4.741 -0.980 18 H THR 3 H THR 3 1.750 1.131 0.809 19 HA THR 3 HA THR 3 0.245 3.457 1.841 20 HB THR 3 HB THR 3 0.182 2.913 -1.065 21 HG1 THR 3 HG1 THR 3 2.326 2.606 -0.883 22 HG21 THR 3 HG21 THR 3 0.248 5.291 0.713 23 HG22 THR 3 HG22 THR 3 -0.835 4.905 -0.624 24 HG23 THR 3 HG23 THR 3 0.810 5.450 -0.951 25 H TRP 4 H TRP 4 -1.784 3.059 2.350 26 HA TRP 4 HA TRP 4 -3.091 0.652 1.333 27 HB2 TRP 4 HB3 TRP 4 -3.002 1.333 3.823 28 HB3 TRP 4 HB2 TRP 4 -4.168 2.536 3.388 29 HD1 TRP 4 HD1 TRP 4 -6.300 1.723 4.463 30 HE1 TRP 4 HE1 TRP 4 -7.683 -0.460 4.374 31 HE3 TRP 4 HE3 TRP 4 -3.048 -1.084 1.854 32 HZ2 TRP 4 HZ2 TRP 4 -7.377 -3.072 3.299 33 HZ3 TRP 4 HZ3 TRP 4 -3.612 -3.434 1.312 34 HH2 TRP 4 HH2 TRP 4 -5.740 -4.404 2.031 35 H GLU 5 H GLU 5 -4.481 0.775 -0.323 36 HA GLU 5 HA GLU 5 -6.071 3.210 -0.657 37 HB2 GLU 5 HB3 GLU 5 -3.851 2.761 -2.205 38 HB3 GLU 5 HB2 GLU 5 -5.136 2.088 -3.199 39 HG2 GLU 5 HG3 GLU 5 -5.430 4.162 -3.936 40 HG3 GLU 5 HG2 GLU 5 -6.207 4.472 -2.384 41 H ASN 6 H ASN 6 -8.108 2.599 -0.599 42 HA ASN 6 HA ASN 6 -10.004 1.345 -0.775 43 HB2 ASN 6 HB3 ASN 6 -8.971 1.946 -3.310 44 HB3 ASN 6 HB2 ASN 6 -9.511 0.268 -3.412 45 HD21 ASN 6 HD21 ASN 6 -11.617 0.447 -1.540 46 HD22 ASN 6 HD22 ASN 6 -12.868 1.409 -2.240 47 H GLY 7 H GLY 7 -8.175 -0.132 0.646 48 HA2 GLY 7 HA3 GLY 7 -8.148 -2.306 1.443 49 HA3 GLY 7 HA2 GLY 7 -9.110 -2.793 0.055 50 H LYS 8 H LYS 8 -6.222 -1.031 -0.636 51 HA LYS 8 HA LYS 8 -4.778 -3.542 -1.137 52 HB2 LYS 8 HB3 LYS 8 -5.894 -2.732 -3.224 53 HB3 LYS 8 HB2 LYS 8 -4.928 -1.266 -3.117 54 HG2 LYS 8 HG3 LYS 8 -3.810 -2.632 -4.652 55 HG3 LYS 8 HG2 LYS 8 -2.893 -2.782 -3.151 56 HD2 LYS 8 HD3 LYS 8 -4.898 -4.774 -3.102 57 HD3 LYS 8 HD2 LYS 8 -4.158 -4.825 -4.703 58 HE2 LYS 8 HE3 LYS 8 -2.197 -5.589 -3.909 59 HE3 LYS 8 HE2 LYS 8 -2.261 -4.560 -2.479 60 HZ1 LYS 8 HZ1 LYS 8 -2.546 -7.195 -2.395 61 HZ2 LYS 8 HZ2 LYS 8 -4.169 -6.751 -2.566 62 HZ3 LYS 8 HZ3 LYS 8 -3.263 -6.155 -1.269 63 H TRP 9 H TRP 9 -2.609 -3.490 -0.826 64 HA TRP 9 HA TRP 9 -1.514 -1.059 0.386 65 HB2 TRP 9 HB3 TRP 9 -0.927 -3.959 0.546 66 HB3 TRP 9 HB2 TRP 9 0.381 -2.870 0.819 67 HD1 TRP 9 HD1 TRP 9 -1.894 -4.688 2.678 68 HE1 TRP 9 HE1 TRP 9 -2.353 -3.660 5.011 69 HE3 TRP 9 HE3 TRP 9 -0.076 -0.079 1.787 70 HZ2 TRP 9 HZ2 TRP 9 -1.959 -1.136 6.275 71 HZ3 TRP 9 HZ3 TRP 9 -0.144 1.610 3.560 72 HH2 TRP 9 HH2 TRP 9 -1.047 1.092 5.761 73 H THR 10 H THR 10 0.304 -0.042 -0.358 74 HA THR 10 HA THR 10 1.490 -1.052 -2.853 75 HB THR 10 HB THR 10 1.565 1.845 -2.674 76 HG1 THR 10 HG1 THR 10 -1.005 0.677 -2.910 77 HG21 THR 10 HG21 THR 10 1.724 1.488 -4.847 78 HG22 THR 10 HG22 THR 10 0.010 1.072 -4.852 79 HG23 THR 10 HG23 THR 10 1.224 -0.193 -4.660 80 H TRP 11 H TRP 11 3.614 -1.319 -2.704 81 HA TRP 11 HA TRP 11 5.013 -0.214 -0.408 82 HB2 TRP 11 HB3 TRP 11 5.348 -2.569 -0.868 83 HB3 TRP 11 HB2 TRP 11 5.880 -2.208 -2.508 84 HD1 TRP 11 HD1 TRP 11 8.416 -2.364 -2.742 85 HE1 TRP 11 HE1 TRP 11 10.449 -1.941 -1.220 86 HE3 TRP 11 HE3 TRP 11 5.965 -0.867 1.483 87 HZ2 TRP 11 HZ2 TRP 11 10.946 -1.082 1.424 88 HZ3 TRP 11 HZ3 TRP 11 7.289 -0.258 3.462 89 HH2 TRP 11 HH2 TRP 11 9.728 -0.364 3.434 90 H LYS 12 H LYS 12 6.996 0.927 -0.573 91 HA LYS 12 HA LYS 12 8.050 1.826 -3.047 92 HB2 LYS 12 HB3 LYS 12 5.883 3.374 -1.874 93 HB3 LYS 12 HB2 LYS 12 7.348 4.330 -2.051 94 HG2 LYS 12 HG3 LYS 12 7.349 4.152 -4.350 95 HG3 LYS 12 HG2 LYS 12 6.363 2.688 -4.340 96 HD2 LYS 12 HD3 LYS 12 4.432 3.844 -4.303 97 HD3 LYS 12 HD2 LYS 12 5.060 5.045 -3.174 98 HE2 LYS 12 HE3 LYS 12 4.987 6.424 -4.944 99 HE3 LYS 12 HE2 LYS 12 6.487 5.624 -5.411 100 HZ1 LYS 12 HZ1 LYS 12 5.157 5.518 -7.298 101 HZ2 LYS 12 HZ2 LYS 12 3.756 5.145 -6.428 102 HZ3 LYS 12 HZ3 LYS 12 4.972 3.984 -6.609 Start of MODEL 13 1 H1 SER 1 HT1 SER 1 8.392 3.274 4.261 2 H2 SER 1 HT2 SER 1 7.429 3.900 2.985 3 H3 SER 1 HT3 SER 1 8.013 2.288 2.912 4 HA SER 1 HA SER 1 6.742 1.851 4.971 5 HB2 SER 1 HB3 SER 1 6.478 4.203 5.625 6 HB3 SER 1 HB2 SER 1 5.531 4.512 4.170 7 HG SER 1 HG SER 1 3.848 3.757 5.158 8 H TRP 2 H TRP 2 4.083 1.805 4.661 9 HA TRP 2 HA TRP 2 3.741 0.700 1.957 10 HB2 TRP 2 HB3 TRP 2 2.804 -0.157 4.643 11 HB3 TRP 2 HB2 TRP 2 1.692 -0.403 3.303 12 HD1 TRP 2 HD1 TRP 2 4.884 -1.753 4.799 13 HE1 TRP 2 HE1 TRP 2 5.680 -3.788 3.438 14 HE3 TRP 2 HE3 TRP 2 1.651 -1.411 0.847 15 HZ2 TRP 2 HZ2 TRP 2 5.032 -5.066 1.000 16 HZ3 TRP 2 HZ3 TRP 2 1.820 -3.041 -0.953 17 HH2 TRP 2 HH2 TRP 2 3.467 -4.852 -0.884 18 H THR 3 H THR 3 1.779 1.069 0.818 19 HA THR 3 HA THR 3 0.310 3.441 1.797 20 HB THR 3 HB THR 3 0.249 2.841 -1.098 21 HG1 THR 3 HG1 THR 3 2.368 2.553 -1.017 22 HG21 THR 3 HG21 THR 3 -0.395 4.947 -1.182 23 HG22 THR 3 HG22 THR 3 1.143 5.460 -0.486 24 HG23 THR 3 HG23 THR 3 -0.217 5.071 0.568 25 H TRP 4 H TRP 4 -1.727 3.084 2.305 26 HA TRP 4 HA TRP 4 -3.066 0.678 1.330 27 HB2 TRP 4 HB3 TRP 4 -2.982 1.407 3.805 28 HB3 TRP 4 HB2 TRP 4 -4.123 2.621 3.339 29 HD1 TRP 4 HD1 TRP 4 -6.276 1.868 4.417 30 HE1 TRP 4 HE1 TRP 4 -7.697 -0.292 4.364 31 HE3 TRP 4 HE3 TRP 4 -3.060 -1.048 1.883 32 HZ2 TRP 4 HZ2 TRP 4 -7.430 -2.929 3.344 33 HZ3 TRP 4 HZ3 TRP 4 -3.663 -3.397 1.387 34 HH2 TRP 4 HH2 TRP 4 -5.811 -4.315 2.113 35 H GLU 5 H GLU 5 -4.442 0.786 -0.337 36 HA GLU 5 HA GLU 5 -5.994 3.236 -0.734 37 HB2 GLU 5 HB3 GLU 5 -3.789 2.884 -2.215 38 HB3 GLU 5 HB2 GLU 5 -4.925 1.961 -3.189 39 HG2 GLU 5 HG3 GLU 5 -5.037 4.065 -4.123 40 HG3 GLU 5 HG2 GLU 5 -6.420 4.051 -3.029 41 H ASN 6 H ASN 6 -8.041 2.664 -0.693 42 HA ASN 6 HA ASN 6 -9.955 1.439 -0.860 43 HB2 ASN 6 HB3 ASN 6 -8.666 1.515 -3.507 44 HB3 ASN 6 HB2 ASN 6 -9.931 0.295 -3.330 45 HD21 ASN 6 HD21 ASN 6 -11.717 1.467 -1.706 46 HD22 ASN 6 HD22 ASN 6 -12.368 2.889 -2.436 47 H GLY 7 H GLY 7 -8.171 -0.032 0.625 48 HA2 GLY 7 HA3 GLY 7 -8.189 -2.183 1.480 49 HA3 GLY 7 HA2 GLY 7 -9.150 -2.690 0.099 50 H LYS 8 H LYS 8 -6.233 -1.009 -0.653 51 HA LYS 8 HA LYS 8 -4.828 -3.556 -1.048 52 HB2 LYS 8 HB3 LYS 8 -5.969 -2.757 -3.149 53 HB3 LYS 8 HB2 LYS 8 -4.911 -1.357 -3.110 54 HG2 LYS 8 HG3 LYS 8 -4.223 -3.243 -4.628 55 HG3 LYS 8 HG2 LYS 8 -2.999 -2.648 -3.510 56 HD2 LYS 8 HD3 LYS 8 -3.128 -5.150 -3.733 57 HD3 LYS 8 HD2 LYS 8 -3.257 -4.537 -2.089 58 HE2 LYS 8 HE3 LYS 8 -5.877 -4.674 -3.165 59 HE3 LYS 8 HE2 LYS 8 -5.068 -6.196 -3.527 60 HZ1 LYS 8 HZ1 LYS 8 -4.472 -5.512 -0.881 61 HZ2 LYS 8 HZ2 LYS 8 -5.395 -6.814 -1.442 62 HZ3 LYS 8 HZ3 LYS 8 -6.144 -5.341 -1.086 63 H TRP 9 H TRP 9 -2.662 -3.519 -0.732 64 HA TRP 9 HA TRP 9 -1.533 -1.076 0.410 65 HB2 TRP 9 HB3 TRP 9 -0.981 -3.981 0.623 66 HB3 TRP 9 HB2 TRP 9 0.338 -2.902 0.882 67 HD1 TRP 9 HD1 TRP 9 -1.974 -4.661 2.764 68 HE1 TRP 9 HE1 TRP 9 -2.420 -3.585 5.079 69 HE3 TRP 9 HE3 TRP 9 -0.074 -0.098 1.803 70 HZ2 TRP 9 HZ2 TRP 9 -1.986 -1.048 6.302 71 HZ3 TRP 9 HZ3 TRP 9 -0.118 1.621 3.546 72 HH2 TRP 9 HH2 TRP 9 -1.035 1.156 5.753 73 H THR 10 H THR 10 0.300 -0.100 -0.356 74 HA THR 10 HA THR 10 1.470 -1.176 -2.830 75 HB THR 10 HB THR 10 1.600 1.715 -2.731 76 HG1 THR 10 HG1 THR 10 -0.990 0.562 -2.774 77 HG21 THR 10 HG21 THR 10 1.701 1.293 -4.895 78 HG22 THR 10 HG22 THR 10 -0.023 0.925 -4.852 79 HG23 THR 10 HG23 THR 10 1.160 -0.367 -4.650 80 H TRP 11 H TRP 11 3.589 -1.471 -2.678 81 HA TRP 11 HA TRP 11 5.007 -0.339 -0.405 82 HB2 TRP 11 HB3 TRP 11 5.307 -2.708 -0.815 83 HB3 TRP 11 HB2 TRP 11 5.838 -2.392 -2.464 84 HD1 TRP 11 HD1 TRP 11 8.371 -2.587 -2.705 85 HE1 TRP 11 HE1 TRP 11 10.415 -2.166 -1.198 86 HE3 TRP 11 HE3 TRP 11 5.958 -0.972 1.499 87 HZ2 TRP 11 HZ2 TRP 11 10.935 -1.264 1.428 88 HZ3 TRP 11 HZ3 TRP 11 7.299 -0.346 3.462 89 HH2 TRP 11 HH2 TRP 11 9.736 -0.490 3.428 90 H LYS 12 H LYS 12 7.005 0.768 -0.595 91 HA LYS 12 HA LYS 12 8.069 1.600 -3.090 92 HB2 LYS 12 HB3 LYS 12 6.028 3.304 -1.797 93 HB3 LYS 12 HB2 LYS 12 7.486 4.135 -2.321 94 HG2 LYS 12 HG3 LYS 12 6.805 4.121 -4.426 95 HG3 LYS 12 HG2 LYS 12 6.575 2.372 -4.390 96 HD2 LYS 12 HD3 LYS 12 4.421 2.983 -4.783 97 HD3 LYS 12 HD2 LYS 12 4.403 3.097 -3.022 98 HE2 LYS 12 HE3 LYS 12 5.296 5.512 -4.455 99 HE3 LYS 12 HE2 LYS 12 3.602 5.076 -4.675 100 HZ1 LYS 12 HZ1 LYS 12 3.470 4.946 -2.191 101 HZ2 LYS 12 HZ2 LYS 12 3.712 6.500 -2.814 102 HZ3 LYS 12 HZ3 LYS 12 5.006 5.653 -2.129 Start of MODEL 14 1 H1 SER 1 HT1 SER 1 8.276 3.668 4.226 2 H2 SER 1 HT2 SER 1 7.362 3.912 2.794 3 H3 SER 1 HT3 SER 1 8.158 2.416 3.062 4 HA SER 1 HA SER 1 6.767 1.956 4.912 5 HB2 SER 1 HB3 SER 1 4.708 3.699 4.915 6 HB3 SER 1 HB2 SER 1 6.131 3.898 5.938 7 HG SER 1 HG SER 1 5.805 5.815 4.869 8 H TRP 2 H TRP 2 4.132 1.808 4.632 9 HA TRP 2 HA TRP 2 3.787 0.786 1.898 10 HB2 TRP 2 HB3 TRP 2 2.869 -0.135 4.569 11 HB3 TRP 2 HB2 TRP 2 1.756 -0.370 3.228 12 HD1 TRP 2 HD1 TRP 2 4.982 -1.696 4.678 13 HE1 TRP 2 HE1 TRP 2 5.789 -3.704 3.284 14 HE3 TRP 2 HE3 TRP 2 1.700 -1.351 0.768 15 HZ2 TRP 2 HZ2 TRP 2 5.128 -4.963 0.839 16 HZ3 TRP 2 HZ3 TRP 2 1.868 -2.957 -1.053 17 HH2 TRP 2 HH2 TRP 2 3.538 -4.747 -1.024 18 H THR 3 H THR 3 1.789 1.124 0.789 19 HA THR 3 HA THR 3 0.303 3.466 1.813 20 HB THR 3 HB THR 3 0.541 2.756 -1.102 21 HG1 THR 3 HG1 THR 3 2.641 3.075 -0.351 22 HG21 THR 3 HG21 THR 3 -0.604 4.961 0.414 23 HG22 THR 3 HG22 THR 3 -0.903 4.440 -1.244 24 HG23 THR 3 HG23 THR 3 0.479 5.474 -0.880 25 H TRP 4 H TRP 4 -1.723 3.075 2.330 26 HA TRP 4 HA TRP 4 -3.039 0.667 1.330 27 HB2 TRP 4 HB3 TRP 4 -2.940 1.359 3.815 28 HB3 TRP 4 HB2 TRP 4 -4.102 2.564 3.380 29 HD1 TRP 4 HD1 TRP 4 -6.237 1.766 4.459 30 HE1 TRP 4 HE1 TRP 4 -7.628 -0.413 4.388 31 HE3 TRP 4 HE3 TRP 4 -2.998 -1.069 1.865 32 HZ2 TRP 4 HZ2 TRP 4 -7.330 -3.033 3.331 33 HZ3 TRP 4 HZ3 TRP 4 -3.569 -3.420 1.342 34 HH2 TRP 4 HH2 TRP 4 -5.699 -4.379 2.071 35 H GLU 5 H GLU 5 -4.433 0.782 -0.321 36 HA GLU 5 HA GLU 5 -6.024 3.214 -0.664 37 HB2 GLU 5 HB3 GLU 5 -4.038 2.110 -2.572 38 HB3 GLU 5 HB2 GLU 5 -5.550 2.699 -3.249 39 HG2 GLU 5 HG3 GLU 5 -4.231 4.481 -1.313 40 HG3 GLU 5 HG2 GLU 5 -3.386 4.234 -2.841 41 H ASN 6 H ASN 6 -8.064 2.615 -0.617 42 HA ASN 6 HA ASN 6 -9.963 1.364 -0.783 43 HB2 ASN 6 HB3 ASN 6 -9.022 2.020 -3.280 44 HB3 ASN 6 HB2 ASN 6 -9.314 0.284 -3.427 45 HD21 ASN 6 HD21 ASN 6 -10.975 2.832 -1.610 46 HD22 ASN 6 HD22 ASN 6 -12.527 2.562 -2.318 47 H GLY 7 H GLY 7 -8.144 -0.098 0.672 48 HA2 GLY 7 HA3 GLY 7 -8.121 -2.258 1.502 49 HA3 GLY 7 HA2 GLY 7 -9.090 -2.762 0.125 50 H LYS 8 H LYS 8 -6.205 -1.032 -0.637 51 HA LYS 8 HA LYS 8 -4.770 -3.554 -1.078 52 HB2 LYS 8 HB3 LYS 8 -5.943 -2.749 -3.158 53 HB3 LYS 8 HB2 LYS 8 -4.907 -1.332 -3.112 54 HG2 LYS 8 HG3 LYS 8 -4.204 -3.188 -4.660 55 HG3 LYS 8 HG2 LYS 8 -2.979 -2.589 -3.546 56 HD2 LYS 8 HD3 LYS 8 -3.071 -5.089 -3.801 57 HD3 LYS 8 HD2 LYS 8 -3.196 -4.499 -2.147 58 HE2 LYS 8 HE3 LYS 8 -5.822 -4.664 -3.206 59 HE3 LYS 8 HE2 LYS 8 -4.992 -6.169 -3.590 60 HZ1 LYS 8 HZ1 LYS 8 -4.386 -5.507 -0.942 61 HZ2 LYS 8 HZ2 LYS 8 -5.300 -6.813 -1.509 62 HZ3 LYS 8 HZ3 LYS 8 -6.062 -5.352 -1.131 63 H TRP 9 H TRP 9 -2.602 -3.494 -0.785 64 HA TRP 9 HA TRP 9 -1.489 -1.051 0.373 65 HB2 TRP 9 HB3 TRP 9 -0.897 -3.952 0.540 66 HB3 TRP 9 HB2 TRP 9 0.410 -2.859 0.798 67 HD1 TRP 9 HD1 TRP 9 -1.852 -4.677 2.683 68 HE1 TRP 9 HE1 TRP 9 -2.285 -3.641 5.018 69 HE3 TRP 9 HE3 TRP 9 -0.032 -0.073 1.764 70 HZ2 TRP 9 HZ2 TRP 9 -1.873 -1.115 6.271 71 HZ3 TRP 9 HZ3 TRP 9 -0.079 1.621 3.531 72 HH2 TRP 9 HH2 TRP 9 -0.962 1.110 5.743 73 H THR 10 H THR 10 0.333 -0.049 -0.403 74 HA THR 10 HA THR 10 1.468 -1.079 -2.913 75 HB THR 10 HB THR 10 1.582 1.811 -2.780 76 HG1 THR 10 HG1 THR 10 -0.599 2.231 -2.939 77 HG21 THR 10 HG21 THR 10 -0.084 1.034 -4.874 78 HG22 THR 10 HG22 THR 10 1.114 -0.251 -4.713 79 HG23 THR 10 HG23 THR 10 1.636 1.417 -4.951 80 H TRP 11 H TRP 11 3.591 -1.357 -2.810 81 HA TRP 11 HA TRP 11 5.050 -0.238 -0.555 82 HB2 TRP 11 HB3 TRP 11 5.319 -2.615 -1.003 83 HB3 TRP 11 HB2 TRP 11 5.868 -2.270 -2.640 84 HD1 TRP 11 HD1 TRP 11 8.397 -2.543 -2.833 85 HE1 TRP 11 HE1 TRP 11 10.429 -2.133 -1.306 86 HE3 TRP 11 HE3 TRP 11 5.957 -0.832 1.317 87 HZ2 TRP 11 HZ2 TRP 11 10.929 -1.204 1.314 88 HZ3 TRP 11 HZ3 TRP 11 7.282 -0.203 3.289 89 HH2 TRP 11 HH2 TRP 11 9.717 -0.385 3.289 90 H LYS 12 H LYS 12 7.025 0.893 -0.775 91 HA LYS 12 HA LYS 12 8.246 1.651 -3.152 92 HB2 LYS 12 HB3 LYS 12 7.430 4.093 -3.171 93 HB3 LYS 12 HB2 LYS 12 6.394 2.871 -3.894 94 HG2 LYS 12 HG3 LYS 12 5.723 3.111 -1.138 95 HG3 LYS 12 HG2 LYS 12 5.772 4.722 -1.854 96 HD2 LYS 12 HD3 LYS 12 4.223 2.367 -2.932 97 HD3 LYS 12 HD2 LYS 12 3.540 3.714 -2.020 98 HE2 LYS 12 HE3 LYS 12 5.139 4.370 -4.427 99 HE3 LYS 12 HE2 LYS 12 3.556 3.639 -4.685 100 HZ1 LYS 12 HZ1 LYS 12 4.241 6.268 -3.645 101 HZ2 LYS 12 HZ2 LYS 12 2.930 5.496 -2.905 102 HZ3 LYS 12 HZ3 LYS 12 2.911 5.782 -4.572 Start of MODEL 15 1 H1 SER 1 HT1 SER 1 7.753 3.625 2.506 2 H2 SER 1 HT2 SER 1 8.121 1.969 2.768 3 H3 SER 1 HT3 SER 1 8.608 3.150 3.914 4 HA SER 1 HA SER 1 6.768 2.071 4.797 5 HB2 SER 1 HB3 SER 1 5.045 4.080 4.488 6 HB3 SER 1 HB2 SER 1 6.546 4.287 5.391 7 HG SER 1 HG SER 1 6.935 5.815 4.010 8 H TRP 2 H TRP 2 4.297 1.878 4.596 9 HA TRP 2 HA TRP 2 3.709 0.787 1.932 10 HB2 TRP 2 HB3 TRP 2 2.915 0.011 4.701 11 HB3 TRP 2 HB2 TRP 2 1.766 -0.297 3.404 12 HD1 TRP 2 HD1 TRP 2 4.972 -1.593 4.891 13 HE1 TRP 2 HE1 TRP 2 5.780 -3.645 3.565 14 HE3 TRP 2 HE3 TRP 2 1.740 -1.334 0.935 15 HZ2 TRP 2 HZ2 TRP 2 5.136 -4.968 1.147 16 HZ3 TRP 2 HZ3 TRP 2 1.915 -2.985 -0.835 17 HH2 TRP 2 HH2 TRP 2 3.569 -4.790 -0.740 18 H THR 3 H THR 3 1.664 1.172 0.945 19 HA THR 3 HA THR 3 0.213 3.469 2.113 20 HB THR 3 HB THR 3 1.397 4.416 0.303 21 HG1 THR 3 HG1 THR 3 -0.249 5.062 -1.005 22 HG21 THR 3 HG21 THR 3 2.283 2.999 -1.170 23 HG22 THR 3 HG22 THR 3 0.769 3.225 -2.046 24 HG23 THR 3 HG23 THR 3 0.975 1.832 -0.985 25 H TRP 4 H TRP 4 -1.797 3.032 2.546 26 HA TRP 4 HA TRP 4 -3.077 0.681 1.413 27 HB2 TRP 4 HB3 TRP 4 -3.078 1.347 3.904 28 HB3 TRP 4 HB2 TRP 4 -4.225 2.553 3.438 29 HD1 TRP 4 HD1 TRP 4 -6.405 1.735 4.416 30 HE1 TRP 4 HE1 TRP 4 -7.773 -0.455 4.273 31 HE3 TRP 4 HE3 TRP 4 -3.038 -1.052 1.941 32 HZ2 TRP 4 HZ2 TRP 4 -7.408 -3.066 3.212 33 HZ3 TRP 4 HZ3 TRP 4 -3.563 -3.406 1.381 34 HH2 TRP 4 HH2 TRP 4 -5.713 -4.389 2.013 35 H GLU 5 H GLU 5 -4.404 0.807 -0.293 36 HA GLU 5 HA GLU 5 -5.985 3.242 -0.674 37 HB2 GLU 5 HB3 GLU 5 -5.453 3.266 -3.082 38 HB3 GLU 5 HB2 GLU 5 -4.038 3.555 -2.078 39 HG2 GLU 5 HG3 GLU 5 -3.631 1.019 -2.330 40 HG3 GLU 5 HG2 GLU 5 -4.745 1.143 -3.691 41 H ASN 6 H ASN 6 -8.019 2.622 -0.675 42 HA ASN 6 HA ASN 6 -9.915 1.391 -0.949 43 HB2 ASN 6 HB3 ASN 6 -8.861 2.031 -3.404 44 HB3 ASN 6 HB2 ASN 6 -9.144 0.294 -3.554 45 HD21 ASN 6 HD21 ASN 6 -10.889 2.851 -1.831 46 HD22 ASN 6 HD22 ASN 6 -12.406 2.577 -2.608 47 H GLY 7 H GLY 7 -8.169 -0.064 0.599 48 HA2 GLY 7 HA3 GLY 7 -8.165 -2.215 1.440 49 HA3 GLY 7 HA2 GLY 7 -9.101 -2.726 0.043 50 H LYS 8 H LYS 8 -6.197 -1.015 -0.674 51 HA LYS 8 HA LYS 8 -4.757 -3.550 -1.040 52 HB2 LYS 8 HB3 LYS 8 -5.817 -2.910 -3.178 53 HB3 LYS 8 HB2 LYS 8 -4.960 -1.375 -3.127 54 HG2 LYS 8 HG3 LYS 8 -3.698 -2.691 -4.570 55 HG3 LYS 8 HG2 LYS 8 -2.825 -2.776 -3.039 56 HD2 LYS 8 HD3 LYS 8 -4.669 -4.872 -2.948 57 HD3 LYS 8 HD2 LYS 8 -4.030 -4.892 -4.592 58 HE2 LYS 8 HE3 LYS 8 -2.339 -6.069 -3.717 59 HE3 LYS 8 HE2 LYS 8 -1.768 -4.515 -3.110 60 HZ1 LYS 8 HZ1 LYS 8 -3.492 -5.221 -1.197 61 HZ2 LYS 8 HZ2 LYS 8 -1.838 -5.572 -1.148 62 HZ3 LYS 8 HZ3 LYS 8 -2.934 -6.745 -1.677 63 H TRP 9 H TRP 9 -2.595 -3.501 -0.726 64 HA TRP 9 HA TRP 9 -1.457 -1.022 0.362 65 HB2 TRP 9 HB3 TRP 9 -0.879 -3.929 0.640 66 HB3 TRP 9 HB2 TRP 9 0.415 -2.822 0.885 67 HD1 TRP 9 HD1 TRP 9 -1.839 -4.618 2.790 68 HE1 TRP 9 HE1 TRP 9 -2.302 -3.535 5.098 69 HE3 TRP 9 HE3 TRP 9 -0.066 -0.015 1.781 70 HZ2 TRP 9 HZ2 TRP 9 -1.927 -0.978 6.299 71 HZ3 TRP 9 HZ3 TRP 9 -0.148 1.717 3.510 72 HH2 TRP 9 HH2 TRP 9 -1.036 1.244 5.728 73 H THR 10 H THR 10 0.352 -0.061 -0.506 74 HA THR 10 HA THR 10 1.524 -1.311 -2.895 75 HB THR 10 HB THR 10 1.703 1.531 -3.138 76 HG1 THR 10 HG1 THR 10 -0.941 0.564 -2.798 77 HG21 THR 10 HG21 THR 10 0.968 -0.726 -4.734 78 HG22 THR 10 HG22 THR 10 1.543 0.865 -5.235 79 HG23 THR 10 HG23 THR 10 -0.180 0.591 -4.973 80 H TRP 11 H TRP 11 3.642 -1.575 -2.728 81 HA TRP 11 HA TRP 11 5.048 -0.304 -0.527 82 HB2 TRP 11 HB3 TRP 11 5.348 -2.691 -0.832 83 HB3 TRP 11 HB2 TRP 11 5.909 -2.442 -2.484 84 HD1 TRP 11 HD1 TRP 11 8.447 -2.654 -2.663 85 HE1 TRP 11 HE1 TRP 11 10.460 -2.163 -1.136 86 HE3 TRP 11 HE3 TRP 11 5.949 -0.846 1.408 87 HZ2 TRP 11 HZ2 TRP 11 10.926 -1.139 1.456 88 HZ3 TRP 11 HZ3 TRP 11 7.246 -0.130 3.366 89 HH2 TRP 11 HH2 TRP 11 9.685 -0.274 3.392 90 H LYS 12 H LYS 12 6.964 0.878 -0.732 91 HA LYS 12 HA LYS 12 8.240 1.525 -3.134 92 HB2 LYS 12 HB3 LYS 12 5.815 2.703 -3.170 93 HB3 LYS 12 HB2 LYS 12 6.732 3.946 -2.330 94 HG2 LYS 12 HG3 LYS 12 7.206 4.681 -4.384 95 HG3 LYS 12 HG2 LYS 12 8.393 3.375 -4.400 96 HD2 LYS 12 HD3 LYS 12 7.349 2.628 -6.227 97 HD3 LYS 12 HD2 LYS 12 6.043 2.128 -5.152 98 HE2 LYS 12 HE3 LYS 12 6.270 4.644 -6.779 99 HE3 LYS 12 HE2 LYS 12 5.019 3.403 -6.848 100 HZ1 LYS 12 HZ1 LYS 12 3.923 4.914 -5.605 101 HZ2 LYS 12 HZ2 LYS 12 5.330 5.623 -4.992 102 HZ3 LYS 12 HZ3 LYS 12 4.759 4.174 -4.334 Start of MODEL 16 1 H1 SER 1 HT1 SER 1 8.394 3.230 4.546 2 H2 SER 1 HT2 SER 1 7.602 3.702 3.098 3 H3 SER 1 HT3 SER 1 8.122 2.079 3.305 4 HA SER 1 HA SER 1 6.612 1.894 5.194 5 HB2 SER 1 HB3 SER 1 6.110 4.706 4.325 6 HB3 SER 1 HB2 SER 1 4.741 3.772 4.927 7 HG SER 1 HG SER 1 5.879 4.945 6.574 8 H TRP 2 H TRP 2 4.061 1.803 4.723 9 HA TRP 2 HA TRP 2 3.826 0.727 1.995 10 HB2 TRP 2 HB3 TRP 2 2.798 -0.166 4.633 11 HB3 TRP 2 HB2 TRP 2 1.727 -0.390 3.256 12 HD1 TRP 2 HD1 TRP 2 4.948 -1.702 4.771 13 HE1 TRP 2 HE1 TRP 2 5.751 -3.742 3.423 14 HE3 TRP 2 HE3 TRP 2 1.650 -1.453 0.865 15 HZ2 TRP 2 HZ2 TRP 2 5.083 -5.060 1.011 16 HZ3 TRP 2 HZ3 TRP 2 1.816 -3.101 -0.917 17 HH2 TRP 2 HH2 TRP 2 3.486 -4.890 -0.851 18 H THR 3 H THR 3 1.817 1.023 0.844 19 HA THR 3 HA THR 3 0.367 3.432 1.757 20 HB THR 3 HB THR 3 0.285 2.813 -1.122 21 HG1 THR 3 HG1 THR 3 2.399 2.391 -1.001 22 HG21 THR 3 HG21 THR 3 0.433 5.203 0.607 23 HG22 THR 3 HG22 THR 3 -0.562 4.883 -0.814 24 HG23 THR 3 HG23 THR 3 1.134 5.324 -1.007 25 H TRP 4 H TRP 4 -1.672 3.100 2.257 26 HA TRP 4 HA TRP 4 -3.026 0.687 1.317 27 HB2 TRP 4 HB3 TRP 4 -2.944 1.447 3.781 28 HB3 TRP 4 HB2 TRP 4 -4.067 2.671 3.297 29 HD1 TRP 4 HD1 TRP 4 -6.236 1.963 4.372 30 HE1 TRP 4 HE1 TRP 4 -7.685 -0.178 4.347 31 HE3 TRP 4 HE3 TRP 4 -3.046 -1.033 1.901 32 HZ2 TRP 4 HZ2 TRP 4 -7.447 -2.835 3.370 33 HZ3 TRP 4 HZ3 TRP 4 -3.676 -3.382 1.439 34 HH2 TRP 4 HH2 TRP 4 -5.839 -4.261 2.169 35 H GLU 5 H GLU 5 -4.398 0.784 -0.356 36 HA GLU 5 HA GLU 5 -5.925 3.243 -0.792 37 HB2 GLU 5 HB3 GLU 5 -3.730 2.903 -2.252 38 HB3 GLU 5 HB2 GLU 5 -4.815 1.897 -3.203 39 HG2 GLU 5 HG3 GLU 5 -5.821 4.570 -2.469 40 HG3 GLU 5 HG2 GLU 5 -4.481 4.519 -3.614 41 H ASN 6 H ASN 6 -7.979 2.700 -0.760 42 HA ASN 6 HA ASN 6 -9.908 1.495 -0.915 43 HB2 ASN 6 HB3 ASN 6 -8.815 1.951 -3.452 44 HB3 ASN 6 HB2 ASN 6 -9.393 0.283 -3.490 45 HD21 ASN 6 HD21 ASN 6 -11.530 0.599 -1.669 46 HD22 ASN 6 HD22 ASN 6 -12.744 1.556 -2.437 47 H GLY 7 H GLY 7 -8.150 0.031 0.609 48 HA2 GLY 7 HA3 GLY 7 -8.196 -2.102 1.505 49 HA3 GLY 7 HA2 GLY 7 -9.163 -2.622 0.132 50 H LYS 8 H LYS 8 -6.222 -0.997 -0.646 51 HA LYS 8 HA LYS 8 -4.851 -3.571 -0.990 52 HB2 LYS 8 HB3 LYS 8 -5.957 -2.847 -3.114 53 HB3 LYS 8 HB2 LYS 8 -4.952 -1.408 -3.093 54 HG2 LYS 8 HG3 LYS 8 -4.173 -3.268 -4.583 55 HG3 LYS 8 HG2 LYS 8 -2.984 -2.648 -3.441 56 HD2 LYS 8 HD3 LYS 8 -3.055 -5.153 -3.676 57 HD3 LYS 8 HD2 LYS 8 -3.219 -4.547 -2.032 58 HE2 LYS 8 HE3 LYS 8 -5.817 -4.751 -3.179 59 HE3 LYS 8 HE2 LYS 8 -4.959 -6.261 -3.472 60 HZ1 LYS 8 HZ1 LYS 8 -6.111 -5.334 -1.077 61 HZ2 LYS 8 HZ2 LYS 8 -4.447 -5.522 -0.836 62 HZ3 LYS 8 HZ3 LYS 8 -5.375 -6.825 -1.387 63 H TRP 9 H TRP 9 -2.686 -3.558 -0.670 64 HA TRP 9 HA TRP 9 -1.520 -1.106 0.419 65 HB2 TRP 9 HB3 TRP 9 -0.999 -4.015 0.689 66 HB3 TRP 9 HB2 TRP 9 0.329 -2.942 0.928 67 HD1 TRP 9 HD1 TRP 9 -2.005 -4.644 2.840 68 HE1 TRP 9 HE1 TRP 9 -2.440 -3.523 5.135 69 HE3 TRP 9 HE3 TRP 9 -0.048 -0.124 1.800 70 HZ2 TRP 9 HZ2 TRP 9 -1.975 -0.970 6.314 71 HZ3 TRP 9 HZ3 TRP 9 -0.071 1.626 3.512 72 HH2 TRP 9 HH2 TRP 9 -0.995 1.212 5.727 73 H THR 10 H THR 10 0.270 -0.134 -0.419 74 HA THR 10 HA THR 10 1.456 -1.317 -2.836 75 HB THR 10 HB THR 10 1.463 1.612 -2.788 76 HG1 THR 10 HG1 THR 10 -0.614 1.233 -1.905 77 HG21 THR 10 HG21 THR 10 1.725 1.258 -4.948 78 HG22 THR 10 HG22 THR 10 0.110 0.553 -5.032 79 HG23 THR 10 HG23 THR 10 1.505 -0.474 -4.699 80 H TRP 11 H TRP 11 3.576 -1.577 -2.666 81 HA TRP 11 HA TRP 11 4.975 -0.352 -0.439 82 HB2 TRP 11 HB3 TRP 11 5.309 -2.727 -0.825 83 HB3 TRP 11 HB2 TRP 11 5.869 -2.411 -2.465 84 HD1 TRP 11 HD1 TRP 11 8.408 -2.605 -2.633 85 HE1 TRP 11 HE1 TRP 11 10.411 -2.117 -1.092 86 HE3 TRP 11 HE3 TRP 11 5.878 -0.902 1.466 87 HZ2 TRP 11 HZ2 TRP 11 10.858 -1.136 1.519 88 HZ3 TRP 11 HZ3 TRP 11 7.164 -0.207 3.441 89 HH2 TRP 11 HH2 TRP 11 9.603 -0.321 3.468 90 H LYS 12 H LYS 12 6.948 0.797 -0.650 91 HA LYS 12 HA LYS 12 8.091 1.570 -3.094 92 HB2 LYS 12 HB3 LYS 12 5.751 3.092 -2.267 93 HB3 LYS 12 HB2 LYS 12 7.172 4.114 -2.434 94 HG2 LYS 12 HG3 LYS 12 7.318 3.787 -4.684 95 HG3 LYS 12 HG2 LYS 12 6.576 2.188 -4.613 96 HD2 LYS 12 HD3 LYS 12 4.447 3.023 -4.658 97 HD3 LYS 12 HD2 LYS 12 4.908 4.533 -3.870 98 HE2 LYS 12 HE3 LYS 12 4.250 4.761 -6.274 99 HE3 LYS 12 HE2 LYS 12 5.852 5.386 -5.883 100 HZ1 LYS 12 HZ1 LYS 12 5.387 2.679 -7.002 101 HZ2 LYS 12 HZ2 LYS 12 6.865 3.484 -6.837 102 HZ3 LYS 12 HZ3 LYS 12 5.723 4.035 -7.957 Start of MODEL 17 1 H1 SER 1 HT1 SER 1 8.234 3.739 4.153 2 H2 SER 1 HT2 SER 1 7.372 3.645 2.672 3 H3 SER 1 HT3 SER 1 8.244 2.283 3.249 4 HA SER 1 HA SER 1 6.786 1.925 4.977 5 HB2 SER 1 HB3 SER 1 6.625 4.599 5.155 6 HB3 SER 1 HB2 SER 1 5.091 4.289 4.343 7 HG SER 1 HG SER 1 5.891 3.682 6.916 8 H TRP 2 H TRP 2 4.136 1.879 4.776 9 HA TRP 2 HA TRP 2 3.666 0.829 2.069 10 HB2 TRP 2 HB3 TRP 2 2.813 -0.058 4.783 11 HB3 TRP 2 HB2 TRP 2 1.694 -0.330 3.450 12 HD1 TRP 2 HD1 TRP 2 4.945 -1.590 4.911 13 HE1 TRP 2 HE1 TRP 2 5.788 -3.594 3.534 14 HE3 TRP 2 HE3 TRP 2 1.650 -1.341 1.005 15 HZ2 TRP 2 HZ2 TRP 2 5.145 -4.888 1.100 16 HZ3 TRP 2 HZ3 TRP 2 1.845 -2.952 -0.799 17 HH2 TRP 2 HH2 TRP 2 3.547 -4.715 -0.762 18 H THR 3 H THR 3 1.604 1.172 1.065 19 HA THR 3 HA THR 3 0.117 3.443 2.238 20 HB THR 3 HB THR 3 1.382 4.369 0.437 21 HG1 THR 3 HG1 THR 3 -1.214 3.840 -0.567 22 HG21 THR 3 HG21 THR 3 0.560 3.253 -1.918 23 HG22 THR 3 HG22 THR 3 0.826 1.847 -0.888 24 HG23 THR 3 HG23 THR 3 2.128 3.008 -1.148 25 H TRP 4 H TRP 4 -1.894 2.983 2.634 26 HA TRP 4 HA TRP 4 -3.139 0.640 1.446 27 HB2 TRP 4 HB3 TRP 4 -3.180 1.253 3.946 28 HB3 TRP 4 HB2 TRP 4 -4.318 2.472 3.493 29 HD1 TRP 4 HD1 TRP 4 -6.513 1.638 4.421 30 HE1 TRP 4 HE1 TRP 4 -7.883 -0.546 4.216 31 HE3 TRP 4 HE3 TRP 4 -3.117 -1.104 1.940 32 HZ2 TRP 4 HZ2 TRP 4 -7.506 -3.136 3.109 33 HZ3 TRP 4 HZ3 TRP 4 -3.637 -3.446 1.325 34 HH2 TRP 4 HH2 TRP 4 -5.796 -4.438 1.909 35 H GLU 5 H GLU 5 -4.445 0.788 -0.276 36 HA GLU 5 HA GLU 5 -6.039 3.218 -0.633 37 HB2 GLU 5 HB3 GLU 5 -3.935 3.388 -1.984 38 HB3 GLU 5 HB2 GLU 5 -4.460 1.971 -2.883 39 HG2 GLU 5 HG3 GLU 5 -5.015 3.885 -4.166 40 HG3 GLU 5 HG2 GLU 5 -6.517 3.228 -3.517 41 H ASN 6 H ASN 6 -8.073 2.612 -0.721 42 HA ASN 6 HA ASN 6 -9.956 1.372 -1.036 43 HB2 ASN 6 HB3 ASN 6 -8.516 1.512 -3.602 44 HB3 ASN 6 HB2 ASN 6 -9.774 0.275 -3.519 45 HD21 ASN 6 HD21 ASN 6 -11.665 1.398 -1.981 46 HD22 ASN 6 HD22 ASN 6 -12.290 2.824 -2.724 47 H GLY 7 H GLY 7 -8.238 -0.099 0.526 48 HA2 GLY 7 HA3 GLY 7 -8.235 -2.261 1.338 49 HA3 GLY 7 HA2 GLY 7 -9.152 -2.756 -0.078 50 H LYS 8 H LYS 8 -6.240 -1.030 -0.729 51 HA LYS 8 HA LYS 8 -4.790 -3.558 -1.112 52 HB2 LYS 8 HB3 LYS 8 -5.832 -2.867 -3.253 53 HB3 LYS 8 HB2 LYS 8 -4.944 -1.351 -3.169 54 HG2 LYS 8 HG3 LYS 8 -3.544 -2.512 -4.519 55 HG3 LYS 8 HG2 LYS 8 -2.882 -3.001 -2.958 56 HD2 LYS 8 HD3 LYS 8 -4.786 -4.877 -3.263 57 HD3 LYS 8 HD2 LYS 8 -4.396 -4.563 -4.955 58 HE2 LYS 8 HE3 LYS 8 -2.861 -6.192 -4.494 59 HE3 LYS 8 HE2 LYS 8 -1.923 -4.762 -4.068 60 HZ1 LYS 8 HZ1 LYS 8 -3.083 -6.810 -2.336 61 HZ2 LYS 8 HZ2 LYS 8 -3.031 -5.228 -1.740 62 HZ3 LYS 8 HZ3 LYS 8 -1.602 -6.001 -2.211 63 H TRP 9 H TRP 9 -2.633 -3.510 -0.762 64 HA TRP 9 HA TRP 9 -1.517 -1.046 0.381 65 HB2 TRP 9 HB3 TRP 9 -0.939 -3.956 0.620 66 HB3 TRP 9 HB2 TRP 9 0.353 -2.854 0.896 67 HD1 TRP 9 HD1 TRP 9 -1.921 -4.677 2.748 68 HE1 TRP 9 HE1 TRP 9 -2.409 -3.630 5.067 69 HE3 TRP 9 HE3 TRP 9 -0.138 -0.060 1.829 70 HZ2 TRP 9 HZ2 TRP 9 -2.047 -1.092 6.311 71 HZ3 TRP 9 HZ3 TRP 9 -0.238 1.645 3.583 72 HH2 TRP 9 HH2 TRP 9 -1.150 1.139 5.784 73 H THR 10 H THR 10 0.275 -0.048 -0.460 74 HA THR 10 HA THR 10 1.510 -1.262 -2.837 75 HB THR 10 HB THR 10 1.640 1.594 -3.031 76 HG1 THR 10 HG1 THR 10 -0.578 2.022 -3.244 77 HG21 THR 10 HG21 THR 10 1.669 0.852 -5.119 78 HG22 THR 10 HG22 THR 10 -0.088 0.765 -4.991 79 HG23 THR 10 HG23 THR 10 0.891 -0.669 -4.680 80 H TRP 11 H TRP 11 3.630 -1.495 -2.623 81 HA TRP 11 HA TRP 11 4.964 -0.201 -0.390 82 HB2 TRP 11 HB3 TRP 11 5.378 -2.546 -0.593 83 HB3 TRP 11 HB2 TRP 11 5.822 -2.384 -2.291 84 HD1 TRP 11 HD1 TRP 11 8.348 -2.315 -2.726 85 HE1 TRP 11 HE1 TRP 11 10.446 -1.779 -1.331 86 HE3 TRP 11 HE3 TRP 11 6.078 -0.877 1.612 87 HZ2 TRP 11 HZ2 TRP 11 11.052 -0.856 1.272 88 HZ3 TRP 11 HZ3 TRP 11 7.478 -0.173 3.500 89 HH2 TRP 11 HH2 TRP 11 9.915 -0.163 3.339 90 H LYS 12 H LYS 12 6.938 0.931 -0.571 91 HA LYS 12 HA LYS 12 7.709 1.843 -3.235 92 HB2 LYS 12 HB3 LYS 12 7.236 3.853 -1.038 93 HB3 LYS 12 HB2 LYS 12 7.549 4.163 -2.739 94 HG2 LYS 12 HG3 LYS 12 5.087 2.708 -1.845 95 HG3 LYS 12 HG2 LYS 12 5.166 4.469 -1.875 96 HD2 LYS 12 HD3 LYS 12 5.733 4.399 -4.258 97 HD3 LYS 12 HD2 LYS 12 5.640 2.637 -4.226 98 HE2 LYS 12 HE3 LYS 12 3.516 2.971 -4.882 99 HE3 LYS 12 HE2 LYS 12 3.233 3.297 -3.172 100 HZ1 LYS 12 HZ1 LYS 12 2.993 5.498 -3.538 101 HZ2 LYS 12 HZ2 LYS 12 2.546 4.982 -5.085 102 HZ3 LYS 12 HZ3 LYS 12 4.116 5.544 -4.802 Start of MODEL 18 1 H1 SER 1 HT1 SER 1 7.354 3.733 2.592 2 H2 SER 1 HT2 SER 1 8.276 2.403 3.163 3 H3 SER 1 HT3 SER 1 8.182 3.846 4.088 4 HA SER 1 HA SER 1 6.806 1.946 4.853 5 HB2 SER 1 HB3 SER 1 6.513 4.634 5.029 6 HB3 SER 1 HB2 SER 1 4.979 4.207 4.271 7 HG SER 1 HG SER 1 4.362 3.219 6.046 8 H TRP 2 H TRP 2 4.131 1.866 4.590 9 HA TRP 2 HA TRP 2 3.769 0.799 1.873 10 HB2 TRP 2 HB3 TRP 2 2.884 -0.114 4.558 11 HB3 TRP 2 HB2 TRP 2 1.760 -0.362 3.229 12 HD1 TRP 2 HD1 TRP 2 4.996 -1.673 4.664 13 HE1 TRP 2 HE1 TRP 2 5.813 -3.672 3.263 14 HE3 TRP 2 HE3 TRP 2 1.705 -1.337 0.759 15 HZ2 TRP 2 HZ2 TRP 2 5.157 -4.927 0.816 16 HZ3 TRP 2 HZ3 TRP 2 1.882 -2.936 -1.066 17 HH2 TRP 2 HH2 TRP 2 3.563 -4.716 -1.044 18 H THR 3 H THR 3 1.780 1.148 0.771 19 HA THR 3 HA THR 3 0.282 3.475 1.813 20 HB THR 3 HB THR 3 0.678 2.742 -1.091 21 HG1 THR 3 HG1 THR 3 1.975 4.775 0.397 22 HG21 THR 3 HG21 THR 3 0.107 5.217 -1.348 23 HG22 THR 3 HG22 THR 3 -0.559 5.094 0.280 24 HG23 THR 3 HG23 THR 3 -1.210 4.092 -1.018 25 H TRP 4 H TRP 4 -1.739 3.072 2.333 26 HA TRP 4 HA TRP 4 -3.048 0.662 1.327 27 HB2 TRP 4 HB3 TRP 4 -2.948 1.348 3.815 28 HB3 TRP 4 HB2 TRP 4 -4.115 2.551 3.384 29 HD1 TRP 4 HD1 TRP 4 -6.248 1.743 4.460 30 HE1 TRP 4 HE1 TRP 4 -7.631 -0.441 4.384 31 HE3 TRP 4 HE3 TRP 4 -2.998 -1.074 1.863 32 HZ2 TRP 4 HZ2 TRP 4 -7.322 -3.058 3.323 33 HZ3 TRP 4 HZ3 TRP 4 -3.560 -3.427 1.334 34 HH2 TRP 4 HH2 TRP 4 -5.686 -4.396 2.061 35 H GLU 5 H GLU 5 -4.446 0.777 -0.321 36 HA GLU 5 HA GLU 5 -6.042 3.209 -0.654 37 HB2 GLU 5 HB3 GLU 5 -4.089 2.081 -2.596 38 HB3 GLU 5 HB2 GLU 5 -5.586 2.748 -3.232 39 HG2 GLU 5 HG3 GLU 5 -4.834 4.721 -1.545 40 HG3 GLU 5 HG2 GLU 5 -3.265 4.096 -2.050 41 H ASN 6 H ASN 6 -8.079 2.600 -0.594 42 HA ASN 6 HA ASN 6 -9.976 1.346 -0.758 43 HB2 ASN 6 HB3 ASN 6 -9.057 2.029 -3.254 44 HB3 ASN 6 HB2 ASN 6 -9.335 0.292 -3.417 45 HD21 ASN 6 HD21 ASN 6 -11.006 2.811 -1.568 46 HD22 ASN 6 HD22 ASN 6 -12.560 2.534 -2.268 47 H GLY 7 H GLY 7 -8.146 -0.122 0.673 48 HA2 GLY 7 HA3 GLY 7 -8.116 -2.290 1.486 49 HA3 GLY 7 HA2 GLY 7 -9.085 -2.786 0.107 50 H LYS 8 H LYS 8 -6.202 -1.034 -0.621 51 HA LYS 8 HA LYS 8 -4.760 -3.550 -1.101 52 HB2 LYS 8 HB3 LYS 8 -5.831 -2.871 -3.205 53 HB3 LYS 8 HB2 LYS 8 -5.045 -1.301 -3.100 54 HG2 LYS 8 HG3 LYS 8 -3.600 -2.326 -4.509 55 HG3 LYS 8 HG2 LYS 8 -2.874 -2.817 -2.977 56 HD2 LYS 8 HD3 LYS 8 -4.817 -4.742 -3.472 57 HD3 LYS 8 HD2 LYS 8 -4.095 -4.431 -5.052 58 HE2 LYS 8 HE3 LYS 8 -2.559 -5.930 -4.380 59 HE3 LYS 8 HE2 LYS 8 -1.882 -4.562 -3.498 60 HZ1 LYS 8 HZ1 LYS 8 -3.283 -6.900 -2.500 61 HZ2 LYS 8 HZ2 LYS 8 -3.677 -5.439 -1.744 62 HZ3 LYS 8 HZ3 LYS 8 -2.072 -5.970 -1.772 63 H TRP 9 H TRP 9 -2.589 -3.496 -0.806 64 HA TRP 9 HA TRP 9 -1.483 -1.052 0.371 65 HB2 TRP 9 HB3 TRP 9 -0.889 -3.952 0.546 66 HB3 TRP 9 HB2 TRP 9 0.419 -2.859 0.798 67 HD1 TRP 9 HD1 TRP 9 -1.829 -4.670 2.694 68 HE1 TRP 9 HE1 TRP 9 -2.263 -3.628 5.026 69 HE3 TRP 9 HE3 TRP 9 -0.033 -0.062 1.753 70 HZ2 TRP 9 HZ2 TRP 9 -1.860 -1.096 6.269 71 HZ3 TRP 9 HZ3 TRP 9 -0.084 1.638 3.515 72 HH2 TRP 9 HH2 TRP 9 -0.959 1.131 5.730 73 H THR 10 H THR 10 0.317 -0.033 -0.412 74 HA THR 10 HA THR 10 1.482 -1.076 -2.902 75 HB THR 10 HB THR 10 1.469 1.848 -2.688 76 HG1 THR 10 HG1 THR 10 -0.599 1.408 -1.825 77 HG21 THR 10 HG21 THR 10 1.817 1.550 -4.847 78 HG22 THR 10 HG22 THR 10 0.141 1.018 -4.995 79 HG23 THR 10 HG23 THR 10 1.422 -0.164 -4.725 80 H TRP 11 H TRP 11 3.607 -1.330 -2.774 81 HA TRP 11 HA TRP 11 5.029 -0.189 -0.510 82 HB2 TRP 11 HB3 TRP 11 5.377 -2.544 -0.940 83 HB3 TRP 11 HB2 TRP 11 5.869 -2.208 -2.598 84 HD1 TRP 11 HD1 TRP 11 8.401 -2.324 -2.899 85 HE1 TRP 11 HE1 TRP 11 10.465 -1.878 -1.426 86 HE3 TRP 11 HE3 TRP 11 6.036 -0.842 1.380 87 HZ2 TRP 11 HZ2 TRP 11 11.016 -1.008 1.204 88 HZ3 TRP 11 HZ3 TRP 11 7.400 -0.215 3.326 89 HH2 TRP 11 HH2 TRP 11 9.839 -0.297 3.241 90 H LYS 12 H LYS 12 7.002 0.960 -0.709 91 HA LYS 12 HA LYS 12 7.972 1.858 -3.236 92 HB2 LYS 12 HB3 LYS 12 6.080 3.569 -1.701 93 HB3 LYS 12 HB2 LYS 12 7.473 4.357 -2.430 94 HG2 LYS 12 HG3 LYS 12 6.374 4.445 -4.346 95 HG3 LYS 12 HG2 LYS 12 6.394 2.682 -4.410 96 HD2 LYS 12 HD3 LYS 12 4.226 2.516 -3.827 97 HD3 LYS 12 HD2 LYS 12 4.346 3.817 -2.640 98 HE2 LYS 12 HE3 LYS 12 3.680 5.390 -4.109 99 HE3 LYS 12 HE2 LYS 12 4.565 4.660 -5.448 100 HZ1 LYS 12 HZ1 LYS 12 2.008 3.613 -4.361 101 HZ2 LYS 12 HZ2 LYS 12 2.827 3.057 -5.733 102 HZ3 LYS 12 HZ3 LYS 12 2.132 4.599 -5.730 Start of MODEL 19 1 H1 SER 1 HT1 SER 1 8.341 3.335 4.368 2 H2 SER 1 HT2 SER 1 7.390 4.012 3.110 3 H3 SER 1 HT3 SER 1 7.968 2.401 2.980 4 HA SER 1 HA SER 1 6.683 1.912 5.031 5 HB2 SER 1 HB3 SER 1 5.085 4.341 4.284 6 HB3 SER 1 HB2 SER 1 5.121 3.458 5.810 7 HG SER 1 HG SER 1 6.426 5.005 6.386 8 H TRP 2 H TRP 2 4.053 1.795 4.697 9 HA TRP 2 HA TRP 2 3.747 0.758 1.963 10 HB2 TRP 2 HB3 TRP 2 2.789 -0.158 4.622 11 HB3 TRP 2 HB2 TRP 2 1.695 -0.391 3.266 12 HD1 TRP 2 HD1 TRP 2 4.905 -1.718 4.757 13 HE1 TRP 2 HE1 TRP 2 5.724 -3.730 3.376 14 HE3 TRP 2 HE3 TRP 2 1.659 -1.383 0.815 15 HZ2 TRP 2 HZ2 TRP 2 5.087 -4.995 0.928 16 HZ3 TRP 2 HZ3 TRP 2 1.845 -2.993 -1.001 17 HH2 TRP 2 HH2 TRP 2 3.514 -4.784 -0.950 18 H THR 3 H THR 3 1.754 1.092 0.834 19 HA THR 3 HA THR 3 0.269 3.446 1.831 20 HB THR 3 HB THR 3 0.683 2.682 -1.062 21 HG1 THR 3 HG1 THR 3 2.656 3.292 -0.166 22 HG21 THR 3 HG21 THR 3 -0.452 5.122 0.262 23 HG22 THR 3 HG22 THR 3 -1.212 4.067 -0.929 24 HG23 THR 3 HG23 THR 3 0.125 5.114 -1.404 25 H TRP 4 H TRP 4 -1.762 3.066 2.332 26 HA TRP 4 HA TRP 4 -3.081 0.660 1.328 27 HB2 TRP 4 HB3 TRP 4 -2.996 1.355 3.814 28 HB3 TRP 4 HB2 TRP 4 -4.150 2.565 3.368 29 HD1 TRP 4 HD1 TRP 4 -6.296 1.779 4.432 30 HE1 TRP 4 HE1 TRP 4 -7.697 -0.394 4.355 31 HE3 TRP 4 HE3 TRP 4 -3.051 -1.076 1.869 32 HZ2 TRP 4 HZ2 TRP 4 -7.403 -3.017 3.306 33 HZ3 TRP 4 HZ3 TRP 4 -3.629 -3.426 1.346 34 HH2 TRP 4 HH2 TRP 4 -5.769 -4.374 2.061 35 H GLU 5 H GLU 5 -4.465 0.781 -0.333 36 HA GLU 5 HA GLU 5 -6.037 3.224 -0.688 37 HB2 GLU 5 HB3 GLU 5 -4.071 3.431 -2.147 38 HB3 GLU 5 HB2 GLU 5 -4.469 1.894 -2.902 39 HG2 GLU 5 HG3 GLU 5 -5.681 2.988 -4.387 40 HG3 GLU 5 HG2 GLU 5 -6.781 3.462 -3.093 41 H ASN 6 H ASN 6 -8.079 2.632 -0.640 42 HA ASN 6 HA ASN 6 -9.984 1.392 -0.814 43 HB2 ASN 6 HB3 ASN 6 -9.038 2.056 -3.307 44 HB3 ASN 6 HB2 ASN 6 -9.336 0.322 -3.463 45 HD21 ASN 6 HD21 ASN 6 -10.991 2.866 -1.636 46 HD22 ASN 6 HD22 ASN 6 -12.542 2.606 -2.347 47 H GLY 7 H GLY 7 -8.176 -0.084 0.636 48 HA2 GLY 7 HA3 GLY 7 -8.169 -2.249 1.457 49 HA3 GLY 7 HA2 GLY 7 -9.131 -2.744 0.072 50 H LYS 8 H LYS 8 -6.227 -1.015 -0.634 51 HA LYS 8 HA LYS 8 -4.803 -3.544 -1.099 52 HB2 LYS 8 HB3 LYS 8 -5.848 -2.861 -3.212 53 HB3 LYS 8 HB2 LYS 8 -5.056 -1.295 -3.102 54 HG2 LYS 8 HG3 LYS 8 -3.819 -2.612 -4.635 55 HG3 LYS 8 HG2 LYS 8 -2.863 -2.496 -3.157 56 HD2 LYS 8 HD3 LYS 8 -4.007 -4.725 -2.521 57 HD3 LYS 8 HD2 LYS 8 -4.394 -4.834 -4.239 58 HE2 LYS 8 HE3 LYS 8 -2.393 -5.886 -4.318 59 HE3 LYS 8 HE2 LYS 8 -1.789 -4.232 -4.412 60 HZ1 LYS 8 HZ1 LYS 8 -0.764 -5.835 -2.707 61 HZ2 LYS 8 HZ2 LYS 8 -2.157 -5.539 -1.795 62 HZ3 LYS 8 HZ3 LYS 8 -1.133 -4.259 -2.211 63 H TRP 9 H TRP 9 -2.634 -3.508 -0.786 64 HA TRP 9 HA TRP 9 -1.516 -1.072 0.395 65 HB2 TRP 9 HB3 TRP 9 -0.952 -3.976 0.587 66 HB3 TRP 9 HB2 TRP 9 0.364 -2.894 0.850 67 HD1 TRP 9 HD1 TRP 9 -1.924 -4.679 2.726 68 HE1 TRP 9 HE1 TRP 9 -2.376 -3.625 5.049 69 HE3 TRP 9 HE3 TRP 9 -0.074 -0.091 1.792 70 HZ2 TRP 9 HZ2 TRP 9 -1.965 -1.092 6.289 71 HZ3 TRP 9 HZ3 TRP 9 -0.131 1.615 3.548 72 HH2 TRP 9 HH2 TRP 9 -1.038 1.125 5.754 73 H THR 10 H THR 10 0.302 -0.073 -0.376 74 HA THR 10 HA THR 10 1.479 -1.140 -2.852 75 HB THR 10 HB THR 10 1.487 1.787 -2.643 76 HG1 THR 10 HG1 THR 10 -0.598 1.359 -1.816 77 HG21 THR 10 HG21 THR 10 0.201 0.982 -4.973 78 HG22 THR 10 HG22 THR 10 1.444 -0.234 -4.680 79 HG23 THR 10 HG23 THR 10 1.886 1.470 -4.792 80 H TRP 11 H TRP 11 3.599 -1.414 -2.706 81 HA TRP 11 HA TRP 11 5.017 -0.275 -0.437 82 HB2 TRP 11 HB3 TRP 11 5.319 -2.646 -0.875 83 HB3 TRP 11 HB2 TRP 11 5.873 -2.303 -2.511 84 HD1 TRP 11 HD1 TRP 11 8.407 -2.535 -2.698 85 HE1 TRP 11 HE1 TRP 11 10.427 -2.110 -1.160 86 HE3 TRP 11 HE3 TRP 11 5.930 -0.875 1.451 87 HZ2 TRP 11 HZ2 TRP 11 10.906 -1.189 1.466 88 HZ3 TRP 11 HZ3 TRP 11 7.240 -0.240 3.432 89 HH2 TRP 11 HH2 TRP 11 9.677 -0.394 3.440 90 H LYS 12 H LYS 12 7.003 0.855 -0.632 91 HA LYS 12 HA LYS 12 8.181 1.654 -3.039 92 HB2 LYS 12 HB3 LYS 12 7.436 4.076 -3.006 93 HB3 LYS 12 HB2 LYS 12 6.248 2.914 -3.581 94 HG2 LYS 12 HG3 LYS 12 5.630 2.995 -0.952 95 HG3 LYS 12 HG2 LYS 12 6.212 4.641 -1.207 96 HD2 LYS 12 HD3 LYS 12 4.524 3.928 -3.391 97 HD3 LYS 12 HD2 LYS 12 3.690 3.536 -1.886 98 HE2 LYS 12 HE3 LYS 12 3.095 5.759 -2.353 99 HE3 LYS 12 HE2 LYS 12 4.335 5.868 -1.105 100 HZ1 LYS 12 HZ1 LYS 12 5.784 6.840 -2.505 101 HZ2 LYS 12 HZ2 LYS 12 4.387 7.289 -3.345 102 HZ3 LYS 12 HZ3 LYS 12 5.282 5.946 -3.851 Start of MODEL 20 1 H1 SER 1 HT1 SER 1 7.412 3.707 2.862 2 H2 SER 1 HT2 SER 1 8.184 2.263 3.378 3 H3 SER 1 HT3 SER 1 8.208 3.657 4.379 4 HA SER 1 HA SER 1 6.645 1.947 5.089 5 HB2 SER 1 HB3 SER 1 5.653 4.678 4.246 6 HB3 SER 1 HB2 SER 1 4.751 3.609 5.320 7 HG SER 1 HG SER 1 6.612 3.644 6.709 8 H TRP 2 H TRP 2 4.049 1.822 4.713 9 HA TRP 2 HA TRP 2 3.762 0.784 1.977 10 HB2 TRP 2 HB3 TRP 2 2.799 -0.146 4.628 11 HB3 TRP 2 HB2 TRP 2 1.708 -0.377 3.268 12 HD1 TRP 2 HD1 TRP 2 4.933 -1.687 4.751 13 HE1 TRP 2 HE1 TRP 2 5.758 -3.693 3.364 14 HE3 TRP 2 HE3 TRP 2 1.664 -1.372 0.825 15 HZ2 TRP 2 HZ2 TRP 2 5.116 -4.962 0.920 16 HZ3 TRP 2 HZ3 TRP 2 1.851 -2.981 -0.991 17 HH2 TRP 2 HH2 TRP 2 3.533 -4.761 -0.950 18 H THR 3 H THR 3 1.768 1.106 0.844 19 HA THR 3 HA THR 3 0.274 3.457 1.836 20 HB THR 3 HB THR 3 0.712 2.688 -1.052 21 HG1 THR 3 HG1 THR 3 2.173 4.460 -1.041 22 HG21 THR 3 HG21 THR 3 -0.302 5.250 0.154 23 HG22 THR 3 HG22 THR 3 -1.273 4.056 -0.707 24 HG23 THR 3 HG23 THR 3 -0.011 4.945 -1.559 25 H TRP 4 H TRP 4 -1.755 3.073 2.333 26 HA TRP 4 HA TRP 4 -3.068 0.662 1.334 27 HB2 TRP 4 HB3 TRP 4 -2.989 1.360 3.817 28 HB3 TRP 4 HB2 TRP 4 -4.141 2.571 3.369 29 HD1 TRP 4 HD1 TRP 4 -6.290 1.789 4.429 30 HE1 TRP 4 HE1 TRP 4 -7.691 -0.383 4.354 31 HE3 TRP 4 HE3 TRP 4 -3.041 -1.073 1.878 32 HZ2 TRP 4 HZ2 TRP 4 -7.397 -3.010 3.311 33 HZ3 TRP 4 HZ3 TRP 4 -3.619 -3.425 1.360 34 HH2 TRP 4 HH2 TRP 4 -5.761 -4.370 2.073 35 H GLU 5 H GLU 5 -4.447 0.776 -0.331 36 HA GLU 5 HA GLU 5 -6.026 3.214 -0.693 37 HB2 GLU 5 HB3 GLU 5 -3.813 2.865 -2.193 38 HB3 GLU 5 HB2 GLU 5 -4.983 2.001 -3.182 39 HG2 GLU 5 HG3 GLU 5 -5.950 3.880 -3.880 40 HG3 GLU 5 HG2 GLU 5 -5.955 4.586 -2.264 41 H ASN 6 H ASN 6 -8.067 2.624 -0.664 42 HA ASN 6 HA ASN 6 -9.970 1.382 -0.843 43 HB2 ASN 6 HB3 ASN 6 -8.681 1.498 -3.487 44 HB3 ASN 6 HB2 ASN 6 -9.927 0.257 -3.324 45 HD21 ASN 6 HD21 ASN 6 -11.732 1.388 -1.689 46 HD22 ASN 6 HD22 ASN 6 -12.404 2.805 -2.408 47 H GLY 7 H GLY 7 -8.172 -0.083 0.631 48 HA2 GLY 7 HA3 GLY 7 -8.165 -2.240 1.469 49 HA3 GLY 7 HA2 GLY 7 -9.124 -2.745 0.086 50 H LYS 8 H LYS 8 -6.223 -1.031 -0.654 51 HA LYS 8 HA LYS 8 -4.796 -3.562 -1.073 52 HB2 LYS 8 HB3 LYS 8 -5.925 -2.799 -3.173 53 HB3 LYS 8 HB2 LYS 8 -4.945 -1.344 -3.114 54 HG2 LYS 8 HG3 LYS 8 -4.138 -3.150 -4.656 55 HG3 LYS 8 HG2 LYS 8 -2.957 -2.540 -3.500 56 HD2 LYS 8 HD3 LYS 8 -2.987 -5.039 -3.804 57 HD3 LYS 8 HD2 LYS 8 -3.154 -4.480 -2.144 58 HE2 LYS 8 HE3 LYS 8 -5.754 -4.697 -3.283 59 HE3 LYS 8 HE2 LYS 8 -4.872 -6.184 -3.623 60 HZ1 LYS 8 HZ1 LYS 8 -5.266 -6.814 -1.552 61 HZ2 LYS 8 HZ2 LYS 8 -6.027 -5.346 -1.197 62 HZ3 LYS 8 HZ3 LYS 8 -4.358 -5.509 -0.969 63 H TRP 9 H TRP 9 -2.633 -3.512 -0.757 64 HA TRP 9 HA TRP 9 -1.515 -1.068 0.397 65 HB2 TRP 9 HB3 TRP 9 -0.939 -3.972 0.587 66 HB3 TRP 9 HB2 TRP 9 0.370 -2.882 0.852 67 HD1 TRP 9 HD1 TRP 9 -1.920 -4.682 2.723 68 HE1 TRP 9 HE1 TRP 9 -2.372 -3.632 5.048 69 HE3 TRP 9 HE3 TRP 9 -0.068 -0.091 1.800 70 HZ2 TRP 9 HZ2 TRP 9 -1.960 -1.102 6.294 71 HZ3 TRP 9 HZ3 TRP 9 -0.125 1.611 3.559 72 HH2 TRP 9 HH2 TRP 9 -1.032 1.117 5.764 73 H THR 10 H THR 10 0.287 -0.060 -0.394 74 HA THR 10 HA THR 10 1.462 -1.138 -2.865 75 HB THR 10 HB THR 10 1.478 1.781 -2.719 76 HG1 THR 10 HG1 THR 10 -0.580 1.386 -1.789 77 HG21 THR 10 HG21 THR 10 0.063 0.876 -4.964 78 HG22 THR 10 HG22 THR 10 1.377 -0.271 -4.697 79 HG23 THR 10 HG23 THR 10 1.730 1.448 -4.885 80 H TRP 11 H TRP 11 3.584 -1.396 -2.724 81 HA TRP 11 HA TRP 11 5.001 -0.233 -0.468 82 HB2 TRP 11 HB3 TRP 11 5.316 -2.605 -0.903 83 HB3 TRP 11 HB2 TRP 11 5.873 -2.259 -2.538 84 HD1 TRP 11 HD1 TRP 11 8.409 -2.473 -2.715 85 HE1 TRP 11 HE1 TRP 11 10.420 -2.027 -1.172 86 HE3 TRP 11 HE3 TRP 11 5.904 -0.821 1.420 87 HZ2 TRP 11 HZ2 TRP 11 10.882 -1.094 1.454 88 HZ3 TRP 11 HZ3 TRP 11 7.201 -0.170 3.403 89 HH2 TRP 11 HH2 TRP 11 9.639 -0.304 3.421 90 H LYS 12 H LYS 12 6.977 0.909 -0.671 91 HA LYS 12 HA LYS 12 8.134 1.711 -3.091 92 HB2 LYS 12 HB3 LYS 12 7.372 4.022 -3.269 93 HB3 LYS 12 HB2 LYS 12 6.019 2.912 -3.432 94 HG2 LYS 12 HG3 LYS 12 5.987 3.408 -0.759 95 HG3 LYS 12 HG2 LYS 12 6.554 4.950 -1.401 96 HD2 LYS 12 HD3 LYS 12 4.061 3.483 -2.265 97 HD3 LYS 12 HD2 LYS 12 4.114 4.902 -1.217 98 HE2 LYS 12 HE3 LYS 12 4.180 6.261 -2.974 99 HE3 LYS 12 HE2 LYS 12 5.579 5.413 -3.632 100 HZ1 LYS 12 HZ1 LYS 12 4.305 4.209 -5.027 101 HZ2 LYS 12 HZ2 LYS 12 3.230 5.503 -4.851 102 HZ3 LYS 12 HZ3 LYS 12 3.007 4.091 -3.947
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