NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
640515 | 6afq | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 2HA GLY 1 2.627 -0.922 -1.324 3 HA3 GLY 1 3HA GLY 1 1.372 0.058 -2.069 4 H SER 2 H SER 2 4.490 0.077 -0.506 5 HA SER 2 HA SER 2 4.784 2.947 -1.022 6 HB2 SER 2 2HB SER 2 6.102 1.000 0.799 7 HB3 SER 2 3HB SER 2 7.095 2.323 0.187 8 HG SER 2 HG SER 2 4.672 2.507 1.647 9 H LYS 3 H LYS 3 6.713 -0.025 -1.445 10 HA LYS 3 HA LYS 3 8.163 1.252 -3.635 11 HB2 LYS 3 2HB LYS 3 8.592 -1.282 -2.064 12 HB3 LYS 3 3HB LYS 3 9.494 -0.940 -3.535 13 HG2 LYS 3 2HG LYS 3 9.886 1.361 -2.192 14 HG3 LYS 3 3HG LYS 3 9.736 0.228 -0.846 15 HD2 LYS 3 2HD LYS 3 11.518 -0.378 -3.180 16 HD3 LYS 3 3HD LYS 3 12.074 0.652 -1.859 17 HE2 LYS 3 2HE LYS 3 12.415 -1.105 -0.533 18 HE3 LYS 3 3HE LYS 3 10.807 -1.747 -0.863 19 HZ1 LYS 3 1HZ LYS 3 12.658 -2.066 -3.045 20 HZ2 LYS 3 2HZ LYS 3 11.613 -3.193 -2.340 21 HZ3 LYS 3 3HZ LYS 3 13.124 -2.889 -1.642 22 H LYS 4 H LYS 4 8.466 0.141 -5.668 23 HA LYS 4 HA LYS 4 6.161 -1.554 -6.375 24 HB2 LYS 4 2HB LYS 4 7.604 0.570 -7.951 25 HB3 LYS 4 3HB LYS 4 6.579 -0.630 -8.728 26 HG2 LYS 4 2HG LYS 4 4.659 0.283 -7.924 27 HG3 LYS 4 3HG LYS 4 5.431 0.897 -6.460 28 HD2 LYS 4 2HD LYS 4 6.497 2.144 -8.851 29 HD3 LYS 4 3HD LYS 4 4.750 2.362 -8.719 30 HE2 LYS 4 2HE LYS 4 6.219 2.774 -6.216 31 HE3 LYS 4 3HE LYS 4 6.624 3.920 -7.493 32 HZ1 LYS 4 1HZ LYS 4 3.799 3.464 -7.205 33 HZ2 LYS 4 2HZ LYS 4 4.653 4.919 -7.314 34 HZ3 LYS 4 3HZ LYS 4 4.511 4.131 -5.824 35 HA PRO 5 HA PRO 5 9.945 -4.127 -6.996 36 HB2 PRO 5 2HB PRO 5 8.799 -6.418 -6.097 37 HB3 PRO 5 3HB PRO 5 9.556 -5.236 -5.022 38 HG2 PRO 5 2HG PRO 5 6.659 -5.631 -5.663 39 HG3 PRO 5 3HG PRO 5 7.425 -5.322 -4.094 40 HD2 PRO 5 2HD PRO 5 6.195 -3.378 -5.522 41 HD3 PRO 5 3HD PRO 5 7.598 -3.056 -4.483 42 H VAL 6 H VAL 6 6.548 -4.752 -7.760 43 HA VAL 6 HA VAL 6 7.402 -5.856 -10.345 44 HB VAL 6 HB VAL 6 5.099 -7.005 -8.772 45 HG11 VAL 6 1HG1 VAL 6 5.575 -7.129 -11.431 46 HG12 VAL 6 2HG1 VAL 6 6.453 -8.555 -10.875 47 HG13 VAL 6 3HG1 VAL 6 4.734 -8.381 -10.517 48 HG21 VAL 6 1HG2 VAL 6 6.511 -8.892 -8.228 49 HG22 VAL 6 2HG2 VAL 6 7.872 -8.157 -9.076 50 HG23 VAL 6 3HG2 VAL 6 7.241 -7.410 -7.609 51 HA PRO 7 HA PRO 7 4.519 -2.604 -11.480 52 HB2 PRO 7 2HB PRO 7 5.125 -2.672 -14.125 53 HB3 PRO 7 3HB PRO 7 6.136 -1.853 -12.929 54 HG2 PRO 7 2HG PRO 7 6.474 -4.561 -14.161 55 HG3 PRO 7 3HG PRO 7 7.695 -3.314 -13.847 56 HD2 PRO 7 2HD PRO 7 7.358 -5.462 -12.233 57 HD3 PRO 7 3HD PRO 7 7.883 -3.881 -11.621 58 H ILE 8 H ILE 8 3.046 -2.519 -13.627 59 HA ILE 8 HA ILE 8 1.616 -5.095 -13.703 60 HB ILE 8 HB ILE 8 -0.342 -3.558 -14.460 61 HG12 ILE 8 2HG1 ILE 8 1.375 -1.583 -12.940 62 HG13 ILE 8 3HG1 ILE 8 1.057 -1.525 -14.670 63 HG21 ILE 8 1HG2 ILE 8 -1.093 -3.363 -12.190 64 HG22 ILE 8 2HG2 ILE 8 -0.186 -4.865 -12.352 65 HG23 ILE 8 3HG2 ILE 8 0.561 -3.463 -11.586 66 HD11 ILE 8 1HD1 ILE 8 -1.216 -1.013 -14.330 67 HD12 ILE 8 2HD1 ILE 8 -1.126 -1.415 -12.615 68 HD13 ILE 8 3HD1 ILE 8 -0.306 0.021 -13.229 69 H ILE 9 H ILE 9 1.563 -6.115 -15.587 70 HA ILE 9 HA ILE 9 1.686 -4.554 -18.068 71 HB ILE 9 HB ILE 9 3.714 -5.289 -18.589 72 HG12 ILE 9 2HG1 ILE 9 4.042 -7.824 -18.862 73 HG13 ILE 9 3HG1 ILE 9 2.362 -7.972 -18.360 74 HG21 ILE 9 1HG2 ILE 9 4.178 -5.378 -16.203 75 HG22 ILE 9 2HG2 ILE 9 3.579 -7.035 -16.134 76 HG23 ILE 9 3HG2 ILE 9 5.039 -6.663 -17.051 77 HD11 ILE 9 1HD1 ILE 9 1.892 -7.801 -20.526 78 HD12 ILE 9 2HD1 ILE 9 2.229 -6.080 -20.331 79 HD13 ILE 9 3HD1 ILE 9 3.490 -7.166 -20.915 80 H TYR 10 H TYR 10 0.393 -5.286 -19.670 81 HA TYR 10 HA TYR 10 -1.064 -7.797 -19.167 82 HB2 TYR 10 2HB TYR 10 -3.026 -6.840 -19.878 83 HB3 TYR 10 3HB TYR 10 -2.236 -5.420 -19.200 84 HD1 TYR 10 HD1 TYR 10 -1.133 -3.782 -20.730 85 HD2 TYR 10 HD2 TYR 10 -3.529 -6.978 -22.195 86 HE1 TYR 10 HE1 TYR 10 -1.338 -2.629 -22.892 87 HE2 TYR 10 HE2 TYR 10 -3.739 -5.835 -24.362 88 HH TYR 10 HH TYR 10 -2.809 -2.582 -24.821 89 H CYS 11 H CYS 11 -1.575 -9.128 -20.946 90 HA CYS 11 HA CYS 11 -0.355 -8.503 -23.518 91 HB2 CYS 11 2HB CYS 11 1.351 -9.711 -22.083 92 HB3 CYS 11 3HB CYS 11 0.277 -11.106 -22.125 93 H ASN 12 H ASN 12 -1.592 -9.167 -25.158 94 HA ASN 12 HA ASN 12 -3.811 -10.996 -24.543 95 HB2 ASN 12 2HB ASN 12 -3.631 -8.522 -26.028 96 HB3 ASN 12 3HB ASN 12 -4.274 -9.808 -27.045 97 HD21 ASN 12 1HD2 ASN 12 -5.208 -7.365 -25.218 98 HD22 ASN 12 2HD2 ASN 12 -6.701 -7.968 -24.592 99 H ARG 13 H ARG 13 -2.635 -12.919 -24.850 100 HA ARG 13 HA ARG 13 -1.037 -13.543 -27.046 101 HB2 ARG 13 2HB ARG 13 -1.446 -15.897 -26.462 102 HB3 ARG 13 3HB ARG 13 -1.092 -14.924 -25.041 103 HG2 ARG 13 2HG ARG 13 -3.859 -14.839 -25.274 104 HG3 ARG 13 3HG ARG 13 -3.422 -16.505 -25.658 105 HD2 ARG 13 2HD ARG 13 -2.756 -14.949 -23.168 106 HD3 ARG 13 3HD ARG 13 -3.781 -16.377 -23.305 107 HE ARG 13 HE ARG 13 -1.344 -17.197 -24.218 108 HH11 ARG 13 1HH1 ARG 13 -2.507 -15.727 -21.285 109 HH12 ARG 13 2HH1 ARG 13 -1.304 -16.468 -20.282 110 HH21 ARG 13 1HH2 ARG 13 0.244 -18.179 -22.909 111 HH22 ARG 13 2HH2 ARG 13 0.261 -17.862 -21.207 112 H ARG 14 H ARG 14 -4.400 -13.077 -26.878 113 HA ARG 14 HA ARG 14 -5.217 -14.817 -28.971 114 HB2 ARG 14 2HB ARG 14 -6.505 -12.303 -27.893 115 HB3 ARG 14 3HB ARG 14 -7.275 -13.429 -29.002 116 HG2 ARG 14 2HG ARG 14 -6.310 -14.125 -26.236 117 HG3 ARG 14 3HG ARG 14 -7.978 -13.739 -26.664 118 HD2 ARG 14 2HD ARG 14 -8.058 -15.646 -28.165 119 HD3 ARG 14 3HD ARG 14 -6.367 -16.010 -27.823 120 HE ARG 14 HE ARG 14 -7.643 -16.019 -25.384 121 HH11 ARG 14 1HH1 ARG 14 -7.926 -17.749 -28.392 122 HH12 ARG 14 2HH1 ARG 14 -8.513 -19.202 -27.651 123 HH21 ARG 14 1HH2 ARG 14 -8.415 -17.926 -24.397 124 HH22 ARG 14 2HH2 ARG 14 -8.792 -19.301 -25.380 125 H THR 15 H THR 15 -3.908 -11.586 -28.863 126 HA THR 15 HA THR 15 -3.913 -11.542 -31.805 127 HB THR 15 HB THR 15 -5.606 -9.963 -31.155 128 HG1 THR 15 HG1 THR 15 -3.673 -9.362 -32.653 129 HG21 THR 15 1HG2 THR 15 -3.510 -8.838 -29.297 130 HG22 THR 15 2HG2 THR 15 -5.050 -9.573 -28.853 131 HG23 THR 15 3HG2 THR 15 -5.022 -8.021 -29.689 132 H GLY 16 H GLY 16 -2.006 -11.923 -29.291 133 HA2 GLY 16 2HA GLY 16 0.212 -11.542 -28.835 134 HA3 GLY 16 3HA GLY 16 0.382 -11.327 -30.571 135 H LYS 17 H LYS 17 -0.690 -9.580 -27.663 136 HA LYS 17 HA LYS 17 0.914 -7.299 -28.422 137 HB2 LYS 17 2HB LYS 17 -2.097 -7.189 -28.382 138 HB3 LYS 17 3HB LYS 17 -1.107 -5.753 -28.155 139 HG2 LYS 17 2HG LYS 17 -0.051 -6.190 -30.352 140 HG3 LYS 17 3HG LYS 17 -1.167 -7.538 -30.579 141 HD2 LYS 17 2HD LYS 17 -3.030 -6.121 -30.696 142 HD3 LYS 17 3HD LYS 17 -2.154 -4.766 -29.980 143 HE2 LYS 17 2HE LYS 17 -1.250 -5.919 -32.585 144 HE3 LYS 17 3HE LYS 17 -2.623 -4.815 -32.546 145 HZ1 LYS 17 1HZ LYS 17 0.197 -4.283 -32.101 146 HZ2 LYS 17 2HZ LYS 17 -0.871 -3.467 -31.075 147 HZ3 LYS 17 3HZ LYS 17 -1.004 -3.285 -32.752 148 H CYS 18 H CYS 18 1.917 -6.771 -26.606 149 HA CYS 18 HA CYS 18 0.384 -6.788 -24.093 150 HB2 CYS 18 2HB CYS 18 3.293 -7.319 -23.921 151 HB3 CYS 18 3HB CYS 18 1.968 -7.980 -22.969 152 H GLN 19 H GLN 19 1.597 -5.496 -22.352 153 HA GLN 19 HA GLN 19 3.442 -3.503 -22.995 154 HB2 GLN 19 2HB GLN 19 2.166 -2.130 -24.242 155 HB3 GLN 19 3HB GLN 19 0.673 -2.909 -23.735 156 HG2 GLN 19 2HG GLN 19 0.705 -1.632 -21.657 157 HG3 GLN 19 3HG GLN 19 2.207 -0.855 -22.157 158 HE21 GLN 19 1HE2 GLN 19 1.925 -0.038 -24.588 159 HE22 GLN 19 2HE2 GLN 19 0.551 0.986 -24.806 160 H ARG 20 H ARG 20 3.776 -1.976 -21.262 161 HA ARG 20 HA ARG 20 2.653 -2.952 -18.726 162 HB2 ARG 20 2HB ARG 20 5.318 -2.105 -19.571 163 HB3 ARG 20 3HB ARG 20 4.796 -1.331 -18.080 164 HG2 ARG 20 2HG ARG 20 4.154 -3.765 -17.384 165 HG3 ARG 20 3HG ARG 20 5.309 -4.210 -18.642 166 HD2 ARG 20 2HD ARG 20 6.594 -2.215 -17.206 167 HD3 ARG 20 3HD ARG 20 5.773 -3.175 -15.975 168 HE ARG 20 HE ARG 20 7.305 -4.820 -16.333 169 HH11 ARG 20 1HH1 ARG 20 7.201 -2.778 -19.151 170 HH12 ARG 20 2HH1 ARG 20 8.504 -3.593 -19.951 171 HH21 ARG 20 1HH2 ARG 20 9.022 -5.902 -17.376 172 HH22 ARG 20 2HH2 ARG 20 9.538 -5.370 -18.940 173 H PHE 21 H PHE 21 1.713 -1.573 -17.279 174 HA PHE 21 HA PHE 21 0.992 1.059 -18.320 175 HB2 PHE 21 2HB PHE 21 -0.086 -0.349 -15.872 176 HB3 PHE 21 3HB PHE 21 -0.775 1.058 -16.675 177 HD1 PHE 21 HD1 PHE 21 0.203 -2.459 -17.439 178 HD2 PHE 21 HD2 PHE 21 -2.535 0.729 -18.110 179 HE1 PHE 21 HE1 PHE 21 -1.174 -3.941 -18.840 180 HE2 PHE 21 HE2 PHE 21 -3.917 -0.747 -19.511 181 HZ PHE 21 HZ PHE 21 -3.237 -3.086 -19.877 Start of MODEL 2 1 H1 GLY 1 H GLY 1 2.269 3.097 -4.508 2 HA2 GLY 1 2HA GLY 1 1.019 3.553 -2.228 3 HA3 GLY 1 3HA GLY 1 1.619 1.933 -1.906 4 H SER 2 H SER 2 3.893 1.587 -1.793 5 HA SER 2 HA SER 2 5.432 4.055 -1.314 6 HB2 SER 2 2HB SER 2 5.212 1.543 0.295 7 HB3 SER 2 3HB SER 2 6.742 2.420 0.297 8 HG SER 2 HG SER 2 5.870 3.871 1.533 9 H LYS 3 H LYS 3 5.827 0.571 -1.959 10 HA LYS 3 HA LYS 3 8.053 1.258 -3.763 11 HB2 LYS 3 2HB LYS 3 9.161 -0.824 -3.120 12 HB3 LYS 3 3HB LYS 3 8.909 0.209 -1.719 13 HG2 LYS 3 2HG LYS 3 6.666 -1.292 -1.633 14 HG3 LYS 3 3HG LYS 3 7.804 -2.440 -2.342 15 HD2 LYS 3 2HD LYS 3 8.693 -0.866 0.018 16 HD3 LYS 3 3HD LYS 3 7.535 -2.172 0.281 17 HE2 LYS 3 2HE LYS 3 9.221 -3.526 -1.213 18 HE3 LYS 3 3HE LYS 3 10.357 -2.290 -0.676 19 HZ1 LYS 3 1HZ LYS 3 10.353 -4.255 0.762 20 HZ2 LYS 3 2HZ LYS 3 8.723 -3.992 1.127 21 HZ3 LYS 3 3HZ LYS 3 9.888 -2.861 1.602 22 H LYS 4 H LYS 4 8.156 0.196 -5.706 23 HA LYS 4 HA LYS 4 5.842 -1.508 -6.355 24 HB2 LYS 4 2HB LYS 4 6.338 -0.781 -8.744 25 HB3 LYS 4 3HB LYS 4 5.684 0.448 -7.669 26 HG2 LYS 4 2HG LYS 4 7.621 1.649 -7.631 27 HG3 LYS 4 3HG LYS 4 8.636 0.231 -7.909 28 HD2 LYS 4 2HD LYS 4 6.833 0.825 -10.129 29 HD3 LYS 4 3HD LYS 4 7.977 2.125 -9.787 30 HE2 LYS 4 2HE LYS 4 9.355 0.928 -11.102 31 HE3 LYS 4 3HE LYS 4 9.605 -0.033 -9.645 32 HZ1 LYS 4 1HZ LYS 4 7.908 -1.566 -10.391 33 HZ2 LYS 4 2HZ LYS 4 9.108 -1.414 -11.574 34 HZ3 LYS 4 3HZ LYS 4 7.621 -0.632 -11.773 35 HA PRO 5 HA PRO 5 9.539 -4.261 -6.641 36 HB2 PRO 5 2HB PRO 5 8.271 -6.432 -5.616 37 HB3 PRO 5 3HB PRO 5 9.038 -5.202 -4.605 38 HG2 PRO 5 2HG PRO 5 6.151 -5.534 -5.323 39 HG3 PRO 5 3HG PRO 5 6.875 -5.136 -3.754 40 HD2 PRO 5 2HD PRO 5 5.774 -3.262 -5.368 41 HD3 PRO 5 3HD PRO 5 7.152 -2.915 -4.304 42 H VAL 6 H VAL 6 6.157 -4.751 -7.522 43 HA VAL 6 HA VAL 6 7.056 -6.134 -9.954 44 HB VAL 6 HB VAL 6 4.600 -6.980 -8.421 45 HG11 VAL 6 1HG1 VAL 6 5.977 -8.752 -10.345 46 HG12 VAL 6 2HG1 VAL 6 4.254 -8.530 -10.035 47 HG13 VAL 6 3HG1 VAL 6 5.133 -7.359 -11.019 48 HG21 VAL 6 1HG2 VAL 6 5.841 -8.903 -7.640 49 HG22 VAL 6 2HG2 VAL 6 7.292 -8.343 -8.473 50 HG23 VAL 6 3HG2 VAL 6 6.648 -7.426 -7.111 51 HA PRO 7 HA PRO 7 4.478 -2.804 -11.518 52 HB2 PRO 7 2HB PRO 7 5.209 -3.145 -14.110 53 HB3 PRO 7 3HB PRO 7 6.216 -2.296 -12.931 54 HG2 PRO 7 2HG PRO 7 6.418 -5.117 -13.911 55 HG3 PRO 7 3HG PRO 7 7.709 -3.934 -13.634 56 HD2 PRO 7 2HD PRO 7 7.136 -5.905 -11.867 57 HD3 PRO 7 3HD PRO 7 7.743 -4.315 -11.361 58 H ILE 8 H ILE 8 2.996 -2.738 -13.561 59 HA ILE 8 HA ILE 8 1.499 -5.275 -13.648 60 HB ILE 8 HB ILE 8 -0.417 -3.669 -14.392 61 HG12 ILE 8 2HG1 ILE 8 1.003 -1.717 -12.622 62 HG13 ILE 8 3HG1 ILE 8 1.384 -1.748 -14.340 63 HG21 ILE 8 1HG2 ILE 8 0.577 -3.904 -11.559 64 HG22 ILE 8 2HG2 ILE 8 -1.027 -3.320 -11.998 65 HG23 ILE 8 3HG2 ILE 8 -0.552 -4.972 -12.392 66 HD11 ILE 8 1HD1 ILE 8 -1.320 -1.271 -13.112 67 HD12 ILE 8 2HD1 ILE 8 -0.285 -0.076 -13.896 68 HD13 ILE 8 3HD1 ILE 8 -0.996 -1.383 -14.842 69 H ILE 9 H ILE 9 1.431 -6.282 -15.538 70 HA ILE 9 HA ILE 9 1.530 -4.712 -18.011 71 HB ILE 9 HB ILE 9 3.497 -5.489 -18.689 72 HG12 ILE 9 2HG1 ILE 9 3.965 -8.039 -18.556 73 HG13 ILE 9 3HG1 ILE 9 2.295 -8.162 -18.016 74 HG21 ILE 9 1HG2 ILE 9 5.029 -6.432 -17.085 75 HG22 ILE 9 2HG2 ILE 9 4.025 -5.221 -16.288 76 HG23 ILE 9 3HG2 ILE 9 3.691 -6.937 -16.052 77 HD11 ILE 9 1HD1 ILE 9 3.361 -7.782 -20.675 78 HD12 ILE 9 2HD1 ILE 9 1.752 -8.290 -20.160 79 HD13 ILE 9 3HD1 ILE 9 2.143 -6.573 -20.268 80 H TYR 10 H TYR 10 0.321 -5.518 -19.666 81 HA TYR 10 HA TYR 10 -1.170 -7.997 -19.105 82 HB2 TYR 10 2HB TYR 10 -3.091 -7.065 -19.970 83 HB3 TYR 10 3HB TYR 10 -2.331 -5.634 -19.284 84 HD1 TYR 10 HD1 TYR 10 -3.429 -7.279 -22.319 85 HD2 TYR 10 HD2 TYR 10 -1.170 -4.020 -20.779 86 HE1 TYR 10 HE1 TYR 10 -3.514 -6.188 -24.521 87 HE2 TYR 10 HE2 TYR 10 -1.249 -2.919 -22.977 88 HH TYR 10 HH TYR 10 -2.136 -4.490 -25.788 89 H CYS 11 H CYS 11 -1.627 -9.409 -20.836 90 HA CYS 11 HA CYS 11 -0.333 -8.923 -23.396 91 HB2 CYS 11 2HB CYS 11 1.337 -10.029 -21.810 92 HB3 CYS 11 3HB CYS 11 0.303 -11.452 -21.882 93 H ASN 12 H ASN 12 -1.664 -9.544 -24.957 94 HA ASN 12 HA ASN 12 -3.640 -11.647 -24.357 95 HB2 ASN 12 2HB ASN 12 -3.935 -8.986 -25.479 96 HB3 ASN 12 3HB ASN 12 -4.580 -10.214 -26.565 97 HD21 ASN 12 1HD2 ASN 12 -5.369 -8.188 -24.147 98 HD22 ASN 12 2HD2 ASN 12 -6.728 -9.022 -23.483 99 H ARG 13 H ARG 13 -2.236 -13.302 -25.077 100 HA ARG 13 HA ARG 13 -0.930 -13.341 -27.558 101 HB2 ARG 13 2HB ARG 13 -1.698 -15.351 -25.521 102 HB3 ARG 13 3HB ARG 13 -1.366 -15.967 -27.135 103 HG2 ARG 13 2HG ARG 13 0.835 -14.840 -27.067 104 HG3 ARG 13 3HG ARG 13 0.497 -14.357 -25.404 105 HD2 ARG 13 2HD ARG 13 0.147 -16.828 -24.921 106 HD3 ARG 13 3HD ARG 13 0.865 -17.131 -26.503 107 HE ARG 13 HE ARG 13 2.467 -15.449 -24.812 108 HH11 ARG 13 1HH1 ARG 13 1.681 -18.731 -25.665 109 HH12 ARG 13 2HH1 ARG 13 3.196 -19.373 -25.121 110 HH21 ARG 13 1HH2 ARG 13 4.465 -16.281 -24.092 111 HH22 ARG 13 2HH2 ARG 13 4.778 -17.979 -24.225 112 H ARG 14 H ARG 14 -4.232 -13.532 -26.815 113 HA ARG 14 HA ARG 14 -5.088 -15.185 -28.973 114 HB2 ARG 14 2HB ARG 14 -6.516 -13.197 -27.213 115 HB3 ARG 14 3HB ARG 14 -7.335 -14.081 -28.493 116 HG2 ARG 14 2HG ARG 14 -7.541 -15.882 -27.218 117 HG3 ARG 14 3HG ARG 14 -5.824 -15.868 -26.811 118 HD2 ARG 14 2HD ARG 14 -6.772 -15.565 -24.739 119 HD3 ARG 14 3HD ARG 14 -6.517 -13.895 -25.242 120 HE ARG 14 HE ARG 14 -9.070 -14.670 -26.068 121 HH11 ARG 14 1HH1 ARG 14 -7.307 -14.110 -23.118 122 HH12 ARG 14 2HH1 ARG 14 -8.709 -13.640 -22.216 123 HH21 ARG 14 1HH2 ARG 14 -10.923 -14.053 -24.890 124 HH22 ARG 14 2HH2 ARG 14 -10.766 -13.609 -23.224 125 H THR 15 H THR 15 -4.444 -11.770 -28.587 126 HA THR 15 HA THR 15 -5.076 -11.382 -31.441 127 HB THR 15 HB THR 15 -6.719 -10.160 -30.174 128 HG1 THR 15 HG1 THR 15 -4.736 -8.301 -31.027 129 HG21 THR 15 1HG2 THR 15 -4.339 -9.213 -28.619 130 HG22 THR 15 2HG2 THR 15 -5.868 -9.866 -28.031 131 HG23 THR 15 3HG2 THR 15 -5.803 -8.233 -28.693 132 H GLY 16 H GLY 16 -2.590 -11.784 -29.481 133 HA2 GLY 16 2HA GLY 16 -0.377 -11.177 -29.509 134 HA3 GLY 16 3HA GLY 16 -0.668 -10.681 -31.170 135 H LYS 17 H LYS 17 -1.278 -9.548 -27.847 136 HA LYS 17 HA LYS 17 -0.093 -6.988 -28.484 137 HB2 LYS 17 2HB LYS 17 -3.030 -7.288 -27.881 138 HB3 LYS 17 3HB LYS 17 -2.168 -5.782 -27.593 139 HG2 LYS 17 2HG LYS 17 -1.541 -5.727 -29.981 140 HG3 LYS 17 3HG LYS 17 -2.510 -7.179 -30.239 141 HD2 LYS 17 2HD LYS 17 -4.515 -6.059 -29.786 142 HD3 LYS 17 3HD LYS 17 -3.689 -4.712 -29.000 143 HE2 LYS 17 2HE LYS 17 -4.230 -3.784 -31.034 144 HE3 LYS 17 3HE LYS 17 -2.603 -4.384 -31.352 145 HZ1 LYS 17 1HZ LYS 17 -4.674 -6.312 -31.878 146 HZ2 LYS 17 2HZ LYS 17 -3.359 -5.848 -32.836 147 HZ3 LYS 17 3HZ LYS 17 -4.781 -4.931 -32.849 148 H CYS 18 H CYS 18 1.214 -6.645 -26.823 149 HA CYS 18 HA CYS 18 0.184 -7.044 -24.105 150 HB2 CYS 18 2HB CYS 18 3.014 -7.802 -24.776 151 HB3 CYS 18 3HB CYS 18 2.050 -8.260 -23.376 152 H GLN 19 H GLN 19 1.507 -5.917 -22.457 153 HA GLN 19 HA GLN 19 3.485 -4.046 -23.038 154 HB2 GLN 19 2HB GLN 19 2.271 -2.537 -24.205 155 HB3 GLN 19 3HB GLN 19 0.738 -3.154 -23.602 156 HG2 GLN 19 2HG GLN 19 1.093 -1.958 -21.496 157 HG3 GLN 19 3HG GLN 19 2.615 -1.325 -22.121 158 HE21 GLN 19 1HE2 GLN 19 2.007 -0.620 -24.648 159 HE22 GLN 19 2HE2 GLN 19 0.807 0.623 -24.661 160 H ARG 20 H ARG 20 3.963 -2.624 -21.234 161 HA ARG 20 HA ARG 20 2.712 -3.554 -18.732 162 HB2 ARG 20 2HB ARG 20 4.742 -4.060 -17.960 163 HB3 ARG 20 3HB ARG 20 5.413 -3.656 -19.535 164 HG2 ARG 20 2HG ARG 20 5.797 -1.385 -18.849 165 HG3 ARG 20 3HG ARG 20 4.979 -1.673 -17.313 166 HD2 ARG 20 2HD ARG 20 6.758 -3.535 -17.005 167 HD3 ARG 20 3HD ARG 20 7.642 -2.662 -18.256 168 HE ARG 20 HE ARG 20 7.234 -1.846 -15.525 169 HH11 ARG 20 1HH1 ARG 20 7.967 -0.798 -18.763 170 HH12 ARG 20 2HH1 ARG 20 8.767 0.652 -18.252 171 HH21 ARG 20 1HH2 ARG 20 8.284 0.059 -14.840 172 HH22 ARG 20 2HH2 ARG 20 8.947 1.138 -16.020 173 H PHE 21 H PHE 21 1.804 -2.070 -17.458 174 HA PHE 21 HA PHE 21 2.000 0.732 -18.244 175 HB2 PHE 21 2HB PHE 21 0.161 -0.649 -16.278 176 HB3 PHE 21 3HB PHE 21 0.081 1.056 -16.710 177 HD1 PHE 21 HD1 PHE 21 -2.049 1.171 -17.680 178 HD2 PHE 21 HD2 PHE 21 0.721 -1.778 -19.000 179 HE1 PHE 21 HE1 PHE 21 -3.535 0.623 -19.563 180 HE2 PHE 21 HE2 PHE 21 -0.760 -2.330 -20.886 181 HZ PHE 21 HZ PHE 21 -2.891 -1.129 -21.169 Start of MODEL 3 1 H1 GLY 1 H GLY 1 1.975 -0.753 1.558 2 HA2 GLY 1 2HA GLY 1 1.716 -0.218 -1.323 3 HA3 GLY 1 3HA GLY 1 0.699 0.661 -0.190 4 H SER 2 H SER 2 4.083 -0.009 -1.004 5 HA SER 2 HA SER 2 4.723 2.757 -0.278 6 HB2 SER 2 2HB SER 2 6.899 1.882 0.724 7 HB3 SER 2 3HB SER 2 5.439 1.599 1.672 8 HG SER 2 HG SER 2 6.576 -0.308 1.599 9 H LYS 3 H LYS 3 6.548 -0.116 -1.336 10 HA LYS 3 HA LYS 3 7.688 1.491 -3.507 11 HB2 LYS 3 2HB LYS 3 8.575 -1.254 -2.625 12 HB3 LYS 3 3HB LYS 3 9.468 -0.094 -3.600 13 HG2 LYS 3 2HG LYS 3 9.699 1.378 -1.690 14 HG3 LYS 3 3HG LYS 3 8.733 0.279 -0.703 15 HD2 LYS 3 2HD LYS 3 10.439 -1.481 -1.078 16 HD3 LYS 3 3HD LYS 3 11.419 -0.301 -1.951 17 HE2 LYS 3 2HE LYS 3 11.649 1.049 0.021 18 HE3 LYS 3 3HE LYS 3 10.509 0.035 0.903 19 HZ1 LYS 3 1HZ LYS 3 12.626 -1.532 -0.135 20 HZ2 LYS 3 2HZ LYS 3 12.142 -1.328 1.473 21 HZ3 LYS 3 3HZ LYS 3 13.252 -0.255 0.781 22 H LYS 4 H LYS 4 8.211 0.135 -5.535 23 HA LYS 4 HA LYS 4 5.788 -1.378 -6.260 24 HB2 LYS 4 2HB LYS 4 7.608 0.293 -8.003 25 HB3 LYS 4 3HB LYS 4 6.259 -0.666 -8.596 26 HG2 LYS 4 2HG LYS 4 5.055 1.191 -8.374 27 HG3 LYS 4 3HG LYS 4 5.092 0.861 -6.640 28 HD2 LYS 4 2HD LYS 4 5.834 3.052 -6.741 29 HD3 LYS 4 3HD LYS 4 7.349 2.147 -6.707 30 HE2 LYS 4 2HE LYS 4 7.868 2.674 -8.853 31 HE3 LYS 4 3HE LYS 4 6.183 2.691 -9.371 32 HZ1 LYS 4 1HZ LYS 4 7.836 4.854 -8.474 33 HZ2 LYS 4 2HZ LYS 4 6.352 4.799 -7.666 34 HZ3 LYS 4 3HZ LYS 4 6.392 4.894 -9.355 35 HA PRO 5 HA PRO 5 9.277 -4.400 -6.442 36 HB2 PRO 5 2HB PRO 5 7.820 -6.470 -5.461 37 HB3 PRO 5 3HB PRO 5 8.646 -5.300 -4.424 38 HG2 PRO 5 2HG PRO 5 5.765 -5.416 -5.228 39 HG3 PRO 5 3HG PRO 5 6.470 -5.074 -3.637 40 HD2 PRO 5 2HD PRO 5 5.560 -3.122 -5.279 41 HD3 PRO 5 3HD PRO 5 6.928 -2.879 -4.174 42 H VAL 6 H VAL 6 5.894 -4.639 -7.422 43 HA VAL 6 HA VAL 6 6.760 -6.081 -9.831 44 HB VAL 6 HB VAL 6 4.206 -6.750 -8.372 45 HG11 VAL 6 1HG1 VAL 6 3.798 -8.274 -9.997 46 HG12 VAL 6 2HG1 VAL 6 4.781 -7.164 -10.955 47 HG13 VAL 6 3HG1 VAL 6 5.508 -8.614 -10.261 48 HG21 VAL 6 1HG2 VAL 6 5.284 -8.759 -7.562 49 HG22 VAL 6 2HG2 VAL 6 6.794 -8.302 -8.349 50 HG23 VAL 6 3HG2 VAL 6 6.176 -7.343 -7.004 51 HA PRO 7 HA PRO 7 4.473 -2.572 -11.456 52 HB2 PRO 7 2HB PRO 7 5.252 -2.962 -14.028 53 HB3 PRO 7 3HB PRO 7 6.283 -2.189 -12.818 54 HG2 PRO 7 2HG PRO 7 6.309 -5.016 -13.801 55 HG3 PRO 7 3HG PRO 7 7.674 -3.929 -13.484 56 HD2 PRO 7 2HD PRO 7 6.910 -5.856 -11.741 57 HD3 PRO 7 3HD PRO 7 7.616 -4.315 -11.212 58 H ILE 8 H ILE 8 3.130 -2.438 -13.641 59 HA ILE 8 HA ILE 8 1.398 -4.822 -13.699 60 HB ILE 8 HB ILE 8 -0.305 -3.078 -14.633 61 HG12 ILE 8 2HG1 ILE 8 1.181 -1.182 -12.861 62 HG13 ILE 8 3HG1 ILE 8 1.682 -1.342 -14.541 63 HG21 ILE 8 1HG2 ILE 8 -0.683 -4.262 -12.591 64 HG22 ILE 8 2HG2 ILE 8 0.497 -3.269 -11.737 65 HG23 ILE 8 3HG2 ILE 8 -1.014 -2.555 -12.299 66 HD11 ILE 8 1HD1 ILE 8 0.167 0.500 -14.335 67 HD12 ILE 8 2HD1 ILE 8 -0.630 -0.796 -15.228 68 HD13 ILE 8 3HD1 ILE 8 -1.028 -0.518 -13.532 69 H ILE 9 H ILE 9 1.344 -5.917 -15.540 70 HA ILE 9 HA ILE 9 1.715 -4.496 -18.074 71 HB ILE 9 HB ILE 9 3.631 -5.480 -18.620 72 HG12 ILE 9 2HG1 ILE 9 3.891 -8.043 -18.266 73 HG13 ILE 9 3HG1 ILE 9 2.190 -7.992 -17.816 74 HG21 ILE 9 1HG2 ILE 9 3.610 -6.745 -15.885 75 HG22 ILE 9 2HG2 ILE 9 5.019 -6.390 -16.882 76 HG23 ILE 9 3HG2 ILE 9 4.060 -5.071 -16.211 77 HD11 ILE 9 1HD1 ILE 9 1.743 -8.238 -19.971 78 HD12 ILE 9 2HD1 ILE 9 2.301 -6.579 -20.190 79 HD13 ILE 9 3HD1 ILE 9 3.417 -7.924 -20.427 80 H TYR 10 H TYR 10 0.559 -5.310 -19.772 81 HA TYR 10 HA TYR 10 -1.181 -7.610 -19.168 82 HB2 TYR 10 2HB TYR 10 -2.953 -6.578 -20.223 83 HB3 TYR 10 3HB TYR 10 -2.120 -5.178 -19.556 84 HD1 TYR 10 HD1 TYR 10 -3.136 -6.904 -22.578 85 HD2 TYR 10 HD2 TYR 10 -0.738 -3.744 -21.040 86 HE1 TYR 10 HE1 TYR 10 -2.976 -5.936 -24.834 87 HE2 TYR 10 HE2 TYR 10 -0.573 -2.766 -23.291 88 HH TYR 10 HH TYR 10 -0.795 -3.906 -25.812 89 H CYS 11 H CYS 11 -1.639 -9.096 -20.829 90 HA CYS 11 HA CYS 11 -0.182 -8.880 -23.335 91 HB2 CYS 11 2HB CYS 11 1.297 -9.993 -21.533 92 HB3 CYS 11 3HB CYS 11 0.205 -11.365 -21.684 93 H ASN 12 H ASN 12 -1.537 -9.452 -24.890 94 HA ASN 12 HA ASN 12 -3.635 -11.425 -24.271 95 HB2 ASN 12 2HB ASN 12 -3.712 -9.217 -26.339 96 HB3 ASN 12 3HB ASN 12 -5.020 -10.334 -25.962 97 HD21 ASN 12 1HD2 ASN 12 -5.498 -10.366 -23.494 98 HD22 ASN 12 2HD2 ASN 12 -5.690 -8.806 -22.777 99 H ARG 13 H ARG 13 -2.386 -13.218 -24.874 100 HA ARG 13 HA ARG 13 -0.921 -13.483 -27.235 101 HB2 ARG 13 2HB ARG 13 -1.104 -15.906 -26.877 102 HB3 ARG 13 3HB ARG 13 -0.720 -15.059 -25.385 103 HG2 ARG 13 2HG ARG 13 -3.210 -15.136 -24.881 104 HG3 ARG 13 3HG ARG 13 -3.324 -16.297 -26.205 105 HD2 ARG 13 2HD ARG 13 -1.674 -16.559 -23.696 106 HD3 ARG 13 3HD ARG 13 -3.115 -17.483 -24.117 107 HE ARG 13 HE ARG 13 -0.435 -17.938 -25.041 108 HH11 ARG 13 1HH1 ARG 13 -3.814 -18.374 -25.753 109 HH12 ARG 13 2HH1 ARG 13 -3.554 -19.742 -26.784 110 HH21 ARG 13 1HH2 ARG 13 -0.080 -19.739 -26.395 111 HH22 ARG 13 2HH2 ARG 13 -1.430 -20.518 -27.148 112 H ARG 14 H ARG 14 -4.293 -13.345 -26.750 113 HA ARG 14 HA ARG 14 -5.067 -14.863 -29.056 114 HB2 ARG 14 2HB ARG 14 -6.688 -12.804 -27.553 115 HB3 ARG 14 3HB ARG 14 -7.302 -14.070 -28.609 116 HG2 ARG 14 2HG ARG 14 -5.812 -14.592 -26.047 117 HG3 ARG 14 3HG ARG 14 -7.571 -14.525 -26.179 118 HD2 ARG 14 2HD ARG 14 -7.319 -16.303 -27.999 119 HD3 ARG 14 3HD ARG 14 -5.671 -16.503 -27.404 120 HE ARG 14 HE ARG 14 -7.383 -16.678 -25.216 121 HH11 ARG 14 1HH1 ARG 14 -6.698 -18.426 -28.148 122 HH12 ARG 14 2HH1 ARG 14 -7.160 -19.962 -27.494 123 HH21 ARG 14 1HH2 ARG 14 -7.994 -18.695 -24.344 124 HH22 ARG 14 2HH2 ARG 14 -7.898 -20.114 -25.330 125 H THR 15 H THR 15 -5.140 -11.376 -28.304 126 HA THR 15 HA THR 15 -5.430 -10.770 -31.141 127 HB THR 15 HB THR 15 -6.867 -9.501 -29.690 128 HG1 THR 15 HG1 THR 15 -6.477 -7.719 -30.774 129 HG21 THR 15 1HG2 THR 15 -4.326 -8.875 -28.210 130 HG22 THR 15 2HG2 THR 15 -5.829 -9.553 -27.584 131 HG23 THR 15 3HG2 THR 15 -5.759 -7.858 -28.064 132 H GLY 16 H GLY 16 -2.896 -11.614 -29.421 133 HA2 GLY 16 2HA GLY 16 -0.641 -11.162 -29.452 134 HA3 GLY 16 3HA GLY 16 -0.944 -10.646 -31.104 135 H LYS 17 H LYS 17 -1.281 -9.461 -27.762 136 HA LYS 17 HA LYS 17 0.096 -7.021 -28.467 137 HB2 LYS 17 2HB LYS 17 -2.824 -7.046 -27.723 138 HB3 LYS 17 3HB LYS 17 -1.813 -5.627 -27.486 139 HG2 LYS 17 2HG LYS 17 -1.293 -5.650 -29.907 140 HG3 LYS 17 3HG LYS 17 -2.429 -6.988 -30.100 141 HD2 LYS 17 2HD LYS 17 -4.241 -5.583 -29.268 142 HD3 LYS 17 3HD LYS 17 -3.110 -4.249 -29.027 143 HE2 LYS 17 2HE LYS 17 -2.813 -3.934 -31.321 144 HE3 LYS 17 3HE LYS 17 -3.438 -5.534 -31.716 145 HZ1 LYS 17 1HZ LYS 17 -5.119 -4.023 -32.289 146 HZ2 LYS 17 2HZ LYS 17 -4.959 -3.146 -30.852 147 HZ3 LYS 17 3HZ LYS 17 -5.628 -4.700 -30.825 148 H CYS 18 H CYS 18 1.492 -6.759 -26.866 149 HA CYS 18 HA CYS 18 0.565 -7.111 -24.103 150 HB2 CYS 18 2HB CYS 18 3.269 -8.080 -25.029 151 HB3 CYS 18 3HB CYS 18 2.498 -8.358 -23.471 152 H GLN 19 H GLN 19 1.856 -5.975 -22.519 153 HA GLN 19 HA GLN 19 3.998 -4.291 -23.080 154 HB2 GLN 19 2HB GLN 19 2.956 -2.753 -24.374 155 HB3 GLN 19 3HB GLN 19 1.356 -3.205 -23.801 156 HG2 GLN 19 2HG GLN 19 1.747 -1.941 -21.739 157 HG3 GLN 19 3HG GLN 19 3.334 -1.467 -22.343 158 HE21 GLN 19 1HE2 GLN 19 3.455 -0.063 -24.137 159 HE22 GLN 19 2HE2 GLN 19 2.133 0.969 -24.553 160 H ARG 20 H ARG 20 4.493 -2.813 -21.318 161 HA ARG 20 HA ARG 20 3.061 -3.528 -18.844 162 HB2 ARG 20 2HB ARG 20 5.001 -4.163 -17.945 163 HB3 ARG 20 3HB ARG 20 5.774 -3.902 -19.503 164 HG2 ARG 20 2HG ARG 20 6.324 -1.637 -18.908 165 HG3 ARG 20 3HG ARG 20 5.422 -1.780 -17.398 166 HD2 ARG 20 2HD ARG 20 7.692 -2.060 -16.821 167 HD3 ARG 20 3HD ARG 20 6.987 -3.676 -16.800 168 HE ARG 20 HE ARG 20 8.417 -4.261 -18.477 169 HH11 ARG 20 1HH1 ARG 20 8.156 -0.790 -18.397 170 HH12 ARG 20 2HH1 ARG 20 9.377 -0.540 -19.600 171 HH21 ARG 20 1HH2 ARG 20 10.027 -3.944 -20.062 172 HH22 ARG 20 2HH2 ARG 20 10.440 -2.335 -20.547 173 H PHE 21 H PHE 21 2.234 -1.915 -17.674 174 HA PHE 21 HA PHE 21 2.714 0.822 -18.566 175 HB2 PHE 21 2HB PHE 21 0.655 -0.304 -16.656 176 HB3 PHE 21 3HB PHE 21 0.752 1.380 -17.160 177 HD1 PHE 21 HD1 PHE 21 -1.301 1.640 -18.256 178 HD2 PHE 21 HD2 PHE 21 1.257 -1.601 -19.293 179 HE1 PHE 21 HE1 PHE 21 -2.726 1.140 -20.199 180 HE2 PHE 21 HE2 PHE 21 -0.164 -2.105 -21.237 181 HZ PHE 21 HZ PHE 21 -2.158 -0.733 -21.693 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.535 2.481 -3.446 2 HA2 GLY 1 2HA GLY 1 1.437 3.001 -1.210 3 HA3 GLY 1 3HA GLY 1 1.911 1.340 -0.883 4 H SER 2 H SER 2 4.306 0.895 -1.341 5 HA SER 2 HA SER 2 5.888 3.176 -0.348 6 HB2 SER 2 2HB SER 2 7.381 1.144 0.507 7 HB3 SER 2 3HB SER 2 6.027 1.757 1.457 8 HG SER 2 HG SER 2 4.765 0.078 0.695 9 H LYS 3 H LYS 3 6.452 -0.010 -1.855 10 HA LYS 3 HA LYS 3 8.218 1.325 -3.797 11 HB2 LYS 3 2HB LYS 3 9.683 -0.659 -3.738 12 HB3 LYS 3 3HB LYS 3 9.608 0.157 -2.182 13 HG2 LYS 3 2HG LYS 3 7.718 -2.077 -2.654 14 HG3 LYS 3 3HG LYS 3 9.421 -2.471 -2.411 15 HD2 LYS 3 2HD LYS 3 9.303 -0.993 -0.341 16 HD3 LYS 3 3HD LYS 3 7.550 -1.037 -0.542 17 HE2 LYS 3 2HE LYS 3 9.104 -3.588 -0.515 18 HE3 LYS 3 3HE LYS 3 8.745 -2.770 1.005 19 HZ1 LYS 3 1HZ LYS 3 6.683 -3.537 0.943 20 HZ2 LYS 3 2HZ LYS 3 7.085 -4.458 -0.418 21 HZ3 LYS 3 3HZ LYS 3 6.424 -2.912 -0.608 22 H LYS 4 H LYS 4 8.494 0.153 -5.826 23 HA LYS 4 HA LYS 4 6.100 -1.432 -6.491 24 HB2 LYS 4 2HB LYS 4 7.716 0.495 -8.157 25 HB3 LYS 4 3HB LYS 4 6.547 -0.617 -8.856 26 HG2 LYS 4 2HG LYS 4 4.918 0.814 -8.438 27 HG3 LYS 4 3HG LYS 4 5.288 0.756 -6.713 28 HD2 LYS 4 2HD LYS 4 7.259 2.381 -7.550 29 HD3 LYS 4 3HD LYS 4 6.024 2.766 -8.751 30 HE2 LYS 4 2HE LYS 4 4.869 3.963 -7.273 31 HE3 LYS 4 3HE LYS 4 4.879 2.638 -6.110 32 HZ1 LYS 4 1HZ LYS 4 6.371 3.713 -4.904 33 HZ2 LYS 4 2HZ LYS 4 6.270 5.032 -5.958 34 HZ3 LYS 4 3HZ LYS 4 7.432 3.830 -6.217 35 HA PRO 5 HA PRO 5 9.702 -4.280 -6.989 36 HB2 PRO 5 2HB PRO 5 8.392 -6.455 -6.027 37 HB3 PRO 5 3HB PRO 5 9.221 -5.293 -4.984 38 HG2 PRO 5 2HG PRO 5 6.308 -5.507 -5.640 39 HG3 PRO 5 3HG PRO 5 7.083 -5.200 -4.075 40 HD2 PRO 5 2HD PRO 5 6.001 -3.225 -5.579 41 HD3 PRO 5 3HD PRO 5 7.415 -2.966 -4.536 42 H VAL 6 H VAL 6 6.285 -4.632 -7.802 43 HA VAL 6 HA VAL 6 7.081 -5.931 -10.314 44 HB VAL 6 HB VAL 6 4.642 -6.776 -8.755 45 HG11 VAL 6 1HG1 VAL 6 4.210 -8.243 -10.424 46 HG12 VAL 6 2HG1 VAL 6 5.096 -7.054 -11.381 47 HG13 VAL 6 3HG1 VAL 6 5.915 -8.500 -10.789 48 HG21 VAL 6 1HG2 VAL 6 6.705 -7.337 -7.520 49 HG22 VAL 6 2HG2 VAL 6 5.847 -8.767 -8.093 50 HG23 VAL 6 3HG2 VAL 6 7.291 -8.208 -8.937 51 HA PRO 7 HA PRO 7 4.561 -2.465 -11.662 52 HB2 PRO 7 2HB PRO 7 5.216 -2.711 -14.285 53 HB3 PRO 7 3HB PRO 7 6.277 -1.943 -13.098 54 HG2 PRO 7 2HG PRO 7 6.372 -4.723 -14.205 55 HG3 PRO 7 3HG PRO 7 7.704 -3.589 -13.911 56 HD2 PRO 7 2HD PRO 7 7.118 -5.620 -12.218 57 HD3 PRO 7 3HD PRO 7 7.785 -4.072 -11.659 58 H ILE 8 H ILE 8 3.163 -2.338 -13.863 59 HA ILE 8 HA ILE 8 1.479 -4.757 -13.858 60 HB ILE 8 HB ILE 8 -0.284 -3.055 -14.758 61 HG12 ILE 8 2HG1 ILE 8 1.213 -1.116 -13.042 62 HG13 ILE 8 3HG1 ILE 8 1.668 -1.278 -14.735 63 HG21 ILE 8 1HG2 ILE 8 0.600 -3.208 -11.883 64 HG22 ILE 8 2HG2 ILE 8 -0.938 -2.525 -12.409 65 HG23 ILE 8 3HG2 ILE 8 -0.585 -4.229 -12.698 66 HD11 ILE 8 1HD1 ILE 8 -1.031 -0.504 -13.657 67 HD12 ILE 8 2HD1 ILE 8 0.122 0.534 -14.497 68 HD13 ILE 8 3HD1 ILE 8 -0.671 -0.784 -15.361 69 H ILE 9 H ILE 9 1.398 -5.867 -15.688 70 HA ILE 9 HA ILE 9 1.673 -4.458 -18.242 71 HB ILE 9 HB ILE 9 3.594 -5.408 -18.831 72 HG12 ILE 9 2HG1 ILE 9 3.914 -7.962 -18.468 73 HG13 ILE 9 3HG1 ILE 9 2.225 -7.942 -17.972 74 HG21 ILE 9 1HG2 ILE 9 5.046 -6.277 -17.124 75 HG22 ILE 9 2HG2 ILE 9 4.078 -4.972 -16.438 76 HG23 ILE 9 3HG2 ILE 9 3.670 -6.652 -16.087 77 HD11 ILE 9 1HD1 ILE 9 1.725 -8.212 -20.113 78 HD12 ILE 9 2HD1 ILE 9 2.245 -6.544 -20.358 79 HD13 ILE 9 3HD1 ILE 9 3.380 -7.869 -20.616 80 H TYR 10 H TYR 10 0.489 -5.307 -19.903 81 HA TYR 10 HA TYR 10 -1.188 -7.637 -19.237 82 HB2 TYR 10 2HB TYR 10 -3.008 -6.649 -20.251 83 HB3 TYR 10 3HB TYR 10 -2.185 -5.228 -19.616 84 HD1 TYR 10 HD1 TYR 10 -0.874 -3.775 -21.144 85 HD2 TYR 10 HD2 TYR 10 -3.246 -6.994 -22.599 86 HE1 TYR 10 HE1 TYR 10 -0.787 -2.810 -23.405 87 HE2 TYR 10 HE2 TYR 10 -3.164 -6.038 -24.864 88 HH TYR 10 HH TYR 10 -1.574 -2.936 -25.492 89 H CYS 11 H CYS 11 -1.659 -9.144 -20.874 90 HA CYS 11 HA CYS 11 -0.275 -8.918 -23.420 91 HB2 CYS 11 2HB CYS 11 1.276 -9.985 -21.654 92 HB3 CYS 11 3HB CYS 11 0.208 -11.381 -21.760 93 H ASN 12 H ASN 12 -1.662 -9.526 -24.932 94 HA ASN 12 HA ASN 12 -3.700 -11.539 -24.243 95 HB2 ASN 12 2HB ASN 12 -3.880 -9.350 -26.326 96 HB3 ASN 12 3HB ASN 12 -5.154 -10.489 -25.900 97 HD21 ASN 12 1HD2 ASN 12 -5.568 -10.505 -23.424 98 HD22 ASN 12 2HD2 ASN 12 -5.766 -8.943 -22.713 99 H ARG 13 H ARG 13 -2.430 -13.309 -24.867 100 HA ARG 13 HA ARG 13 -1.025 -13.561 -27.267 101 HB2 ARG 13 2HB ARG 13 -1.951 -15.334 -25.142 102 HB3 ARG 13 3HB ARG 13 -1.926 -16.122 -26.714 103 HG2 ARG 13 2HG ARG 13 0.421 -15.501 -26.990 104 HG3 ARG 13 3HG ARG 13 0.395 -14.713 -25.411 105 HD2 ARG 13 2HD ARG 13 0.735 -16.648 -24.368 106 HD3 ARG 13 3HD ARG 13 -0.610 -17.404 -25.221 107 HE ARG 13 HE ARG 13 1.431 -17.341 -27.042 108 HH11 ARG 13 1HH1 ARG 13 0.999 -18.635 -23.839 109 HH12 ARG 13 2HH1 ARG 13 2.101 -19.950 -24.081 110 HH21 ARG 13 1HH2 ARG 13 2.883 -19.068 -27.373 111 HH22 ARG 13 2HH2 ARG 13 3.172 -20.195 -26.091 112 H ARG 14 H ARG 14 -4.384 -13.490 -26.690 113 HA ARG 14 HA ARG 14 -5.190 -15.042 -28.962 114 HB2 ARG 14 2HB ARG 14 -6.639 -13.165 -27.104 115 HB3 ARG 14 3HB ARG 14 -7.432 -13.888 -28.497 116 HG2 ARG 14 2HG ARG 14 -7.586 -15.910 -27.527 117 HG3 ARG 14 3HG ARG 14 -6.011 -15.770 -26.742 118 HD2 ARG 14 2HD ARG 14 -7.116 -14.078 -25.194 119 HD3 ARG 14 3HD ARG 14 -8.651 -14.645 -25.850 120 HE ARG 14 HE ARG 14 -7.134 -16.848 -24.977 121 HH11 ARG 14 1HH1 ARG 14 -8.909 -14.127 -23.725 122 HH12 ARG 14 2HH1 ARG 14 -9.312 -14.910 -22.233 123 HH21 ARG 14 1HH2 ARG 14 -7.659 -17.890 -23.016 124 HH22 ARG 14 2HH2 ARG 14 -8.600 -17.050 -21.831 125 H THR 15 H THR 15 -5.306 -11.551 -28.234 126 HA THR 15 HA THR 15 -5.689 -10.974 -31.067 127 HB THR 15 HB THR 15 -7.111 -9.723 -29.587 128 HG1 THR 15 HG1 THR 15 -6.414 -7.573 -30.175 129 HG21 THR 15 1HG2 THR 15 -6.015 -9.735 -27.510 130 HG22 THR 15 2HG2 THR 15 -5.992 -8.043 -28.006 131 HG23 THR 15 3HG2 THR 15 -4.544 -9.034 -28.183 132 H GLY 16 H GLY 16 -3.092 -11.752 -29.410 133 HA2 GLY 16 2HA GLY 16 -0.849 -11.256 -29.506 134 HA3 GLY 16 3HA GLY 16 -1.206 -10.758 -31.153 135 H LYS 17 H LYS 17 -1.479 -9.555 -27.812 136 HA LYS 17 HA LYS 17 -0.170 -7.093 -28.571 137 HB2 LYS 17 2HB LYS 17 -3.068 -7.171 -27.750 138 HB3 LYS 17 3HB LYS 17 -2.080 -5.730 -27.550 139 HG2 LYS 17 2HG LYS 17 -1.623 -5.762 -29.984 140 HG3 LYS 17 3HG LYS 17 -2.737 -7.123 -30.137 141 HD2 LYS 17 2HD LYS 17 -4.414 -5.547 -28.927 142 HD3 LYS 17 3HD LYS 17 -3.314 -4.268 -29.447 143 HE2 LYS 17 2HE LYS 17 -4.408 -6.310 -31.359 144 HE3 LYS 17 3HE LYS 17 -5.279 -4.826 -30.978 145 HZ1 LYS 17 1HZ LYS 17 -2.940 -5.217 -32.620 146 HZ2 LYS 17 2HZ LYS 17 -2.817 -3.911 -31.552 147 HZ3 LYS 17 3HZ LYS 17 -4.095 -3.981 -32.658 148 H CYS 18 H CYS 18 1.262 -6.791 -27.008 149 HA CYS 18 HA CYS 18 0.415 -7.139 -24.220 150 HB2 CYS 18 2HB CYS 18 3.113 -8.062 -25.208 151 HB3 CYS 18 3HB CYS 18 2.386 -8.343 -23.629 152 H GLN 19 H GLN 19 1.724 -5.967 -22.678 153 HA GLN 19 HA GLN 19 3.815 -4.244 -23.309 154 HB2 GLN 19 2HB GLN 19 2.707 -2.737 -24.584 155 HB3 GLN 19 3HB GLN 19 1.133 -3.217 -23.964 156 HG2 GLN 19 2HG GLN 19 1.555 -1.929 -21.923 157 HG3 GLN 19 3HG GLN 19 3.115 -1.429 -22.574 158 HE21 GLN 19 1HE2 GLN 19 1.885 0.656 -22.004 159 HE22 GLN 19 2HE2 GLN 19 1.027 1.391 -23.311 160 H ARG 20 H ARG 20 4.329 -2.744 -21.571 161 HA ARG 20 HA ARG 20 2.978 -3.469 -19.054 162 HB2 ARG 20 2HB ARG 20 4.954 -4.060 -18.204 163 HB3 ARG 20 3HB ARG 20 5.679 -3.794 -19.784 164 HG2 ARG 20 2HG ARG 20 6.202 -1.517 -19.219 165 HG3 ARG 20 3HG ARG 20 5.341 -1.663 -17.685 166 HD2 ARG 20 2HD ARG 20 7.595 -1.918 -17.113 167 HD3 ARG 20 3HD ARG 20 6.967 -3.564 -17.163 168 HE ARG 20 HE ARG 20 7.937 -3.218 -19.655 169 HH11 ARG 20 1HH1 ARG 20 9.291 -2.702 -16.490 170 HH12 ARG 20 2HH1 ARG 20 10.916 -3.038 -16.987 171 HH21 ARG 20 1HH2 ARG 20 10.073 -3.662 -20.322 172 HH22 ARG 20 2HH2 ARG 20 11.360 -3.583 -19.168 173 H PHE 21 H PHE 21 2.151 -1.864 -17.873 174 HA PHE 21 HA PHE 21 2.553 0.875 -18.796 175 HB2 PHE 21 2HB PHE 21 0.569 -0.277 -16.824 176 HB3 PHE 21 3HB PHE 21 0.619 1.405 -17.340 177 HD1 PHE 21 HD1 PHE 21 1.125 -1.581 -19.466 178 HD2 PHE 21 HD2 PHE 21 -1.467 1.618 -18.385 179 HE1 PHE 21 HE1 PHE 21 -0.337 -2.126 -21.369 180 HE2 PHE 21 HE2 PHE 21 -2.933 1.077 -20.285 181 HZ PHE 21 HZ PHE 21 -2.369 -0.798 -21.779 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -0.799 1.418 -1.151 2 HA2 GLY 1 2HA GLY 1 1.547 0.406 -0.937 3 HA3 GLY 1 3HA GLY 1 1.132 1.055 -2.516 4 H SER 2 H SER 2 3.766 0.787 -1.446 5 HA SER 2 HA SER 2 4.544 3.626 -1.368 6 HB2 SER 2 2HB SER 2 6.611 2.341 -0.080 7 HB3 SER 2 3HB SER 2 5.305 3.218 0.717 8 HG SER 2 HG SER 2 5.182 0.464 0.052 9 H LYS 3 H LYS 3 6.296 0.534 -1.570 10 HA LYS 3 HA LYS 3 7.843 1.591 -3.803 11 HB2 LYS 3 2HB LYS 3 8.136 -0.796 -1.998 12 HB3 LYS 3 3HB LYS 3 9.070 -0.663 -3.483 13 HG2 LYS 3 2HG LYS 3 9.683 1.696 -2.506 14 HG3 LYS 3 3HG LYS 3 9.249 0.928 -0.977 15 HD2 LYS 3 2HD LYS 3 10.914 -0.731 -1.229 16 HD3 LYS 3 3HD LYS 3 11.175 -0.318 -2.925 17 HE2 LYS 3 2HE LYS 3 12.455 1.500 -2.425 18 HE3 LYS 3 3HE LYS 3 11.606 1.819 -0.913 19 HZ1 LYS 3 1HZ LYS 3 13.687 1.077 -0.251 20 HZ2 LYS 3 2HZ LYS 3 13.764 -0.126 -1.437 21 HZ3 LYS 3 3HZ LYS 3 12.731 -0.312 -0.111 22 H LYS 4 H LYS 4 8.383 -0.041 -5.575 23 HA LYS 4 HA LYS 4 5.941 -1.499 -6.348 24 HB2 LYS 4 2HB LYS 4 7.806 0.140 -8.066 25 HB3 LYS 4 3HB LYS 4 6.599 -0.957 -8.723 26 HG2 LYS 4 2HG LYS 4 5.327 0.746 -6.836 27 HG3 LYS 4 3HG LYS 4 6.286 1.738 -7.936 28 HD2 LYS 4 2HD LYS 4 5.209 0.333 -9.804 29 HD3 LYS 4 3HD LYS 4 4.042 -0.151 -8.571 30 HE2 LYS 4 2HE LYS 4 2.935 1.674 -9.308 31 HE3 LYS 4 3HE LYS 4 4.024 2.510 -8.202 32 HZ1 LYS 4 1HZ LYS 4 5.096 2.084 -10.850 33 HZ2 LYS 4 2HZ LYS 4 5.118 3.471 -9.883 34 HZ3 LYS 4 3HZ LYS 4 3.747 3.104 -10.803 35 HA PRO 5 HA PRO 5 9.436 -4.515 -6.194 36 HB2 PRO 5 2HB PRO 5 7.943 -6.523 -5.141 37 HB3 PRO 5 3HB PRO 5 8.726 -5.286 -4.150 38 HG2 PRO 5 2HG PRO 5 5.879 -5.464 -5.060 39 HG3 PRO 5 3HG PRO 5 6.519 -5.017 -3.467 40 HD2 PRO 5 2HD PRO 5 5.675 -3.178 -5.267 41 HD3 PRO 5 3HD PRO 5 6.997 -2.860 -4.125 42 H VAL 6 H VAL 6 6.091 -4.845 -7.280 43 HA VAL 6 HA VAL 6 7.056 -6.423 -9.564 44 HB VAL 6 HB VAL 6 4.458 -7.028 -8.156 45 HG11 VAL 6 1HG1 VAL 6 5.168 -7.602 -10.690 46 HG12 VAL 6 2HG1 VAL 6 5.816 -9.016 -9.857 47 HG13 VAL 6 3HG1 VAL 6 4.103 -8.617 -9.718 48 HG21 VAL 6 1HG2 VAL 6 7.057 -8.545 -7.947 49 HG22 VAL 6 2HG2 VAL 6 6.381 -7.515 -6.685 50 HG23 VAL 6 3HG2 VAL 6 5.524 -8.972 -7.187 51 HA PRO 7 HA PRO 7 4.799 -3.047 -11.484 52 HB2 PRO 7 2HB PRO 7 5.672 -3.588 -13.997 53 HB3 PRO 7 3HB PRO 7 6.653 -2.730 -12.803 54 HG2 PRO 7 2HG PRO 7 6.737 -5.613 -13.606 55 HG3 PRO 7 3HG PRO 7 8.081 -4.494 -13.310 56 HD2 PRO 7 2HD PRO 7 7.272 -6.316 -11.478 57 HD3 PRO 7 3HD PRO 7 7.945 -4.738 -11.022 58 H ILE 8 H ILE 8 3.354 -2.963 -13.479 59 HA ILE 8 HA ILE 8 1.797 -5.460 -13.639 60 HB ILE 8 HB ILE 8 -0.061 -3.795 -14.400 61 HG12 ILE 8 2HG1 ILE 8 1.336 -1.901 -12.558 62 HG13 ILE 8 3HG1 ILE 8 1.806 -1.926 -14.254 63 HG21 ILE 8 1HG2 ILE 8 -0.717 -3.468 -12.014 64 HG22 ILE 8 2HG2 ILE 8 -0.275 -5.125 -12.426 65 HG23 ILE 8 3HG2 ILE 8 0.862 -4.101 -11.549 66 HD11 ILE 8 1HD1 ILE 8 -0.914 -1.333 -13.124 67 HD12 ILE 8 2HD1 ILE 8 0.175 -0.222 -13.953 68 HD13 ILE 8 3HD1 ILE 8 -0.581 -1.543 -14.843 69 H ILE 9 H ILE 9 1.749 -6.435 -15.546 70 HA ILE 9 HA ILE 9 1.931 -4.832 -17.991 71 HB ILE 9 HB ILE 9 3.879 -5.656 -18.679 72 HG12 ILE 9 2HG1 ILE 9 4.338 -8.210 -18.440 73 HG13 ILE 9 3HG1 ILE 9 2.653 -8.297 -17.940 74 HG21 ILE 9 1HG2 ILE 9 4.077 -7.038 -16.009 75 HG22 ILE 9 2HG2 ILE 9 5.407 -6.523 -17.044 76 HG23 ILE 9 3HG2 ILE 9 4.377 -5.320 -16.269 77 HD11 ILE 9 1HD1 ILE 9 2.157 -8.486 -20.090 78 HD12 ILE 9 2HD1 ILE 9 2.590 -6.783 -20.252 79 HD13 ILE 9 3HD1 ILE 9 3.790 -8.033 -20.580 80 H TYR 10 H TYR 10 0.795 -5.631 -19.718 81 HA TYR 10 HA TYR 10 -0.787 -8.062 -19.199 82 HB2 TYR 10 2HB TYR 10 -2.639 -7.089 -20.168 83 HB3 TYR 10 3HB TYR 10 -1.875 -5.674 -19.452 84 HD1 TYR 10 HD1 TYR 10 -2.830 -7.329 -22.538 85 HD2 TYR 10 HD2 TYR 10 -0.637 -4.079 -20.886 86 HE1 TYR 10 HE1 TYR 10 -2.778 -6.250 -24.747 87 HE2 TYR 10 HE2 TYR 10 -0.580 -2.990 -23.090 88 HH TYR 10 HH TYR 10 -0.731 -3.801 -25.548 89 H CYS 11 H CYS 11 -1.181 -9.497 -20.916 90 HA CYS 11 HA CYS 11 0.225 -9.072 -23.430 91 HB2 CYS 11 2HB CYS 11 1.571 -10.389 -21.469 92 HB3 CYS 11 3HB CYS 11 0.743 -11.730 -22.253 93 H ASN 12 H ASN 12 -1.203 -9.536 -24.955 94 HA ASN 12 HA ASN 12 -3.099 -11.743 -24.484 95 HB2 ASN 12 2HB ASN 12 -3.543 -9.003 -25.286 96 HB3 ASN 12 3HB ASN 12 -4.139 -10.109 -26.520 97 HD21 ASN 12 1HD2 ASN 12 -4.870 -8.548 -23.692 98 HD22 ASN 12 2HD2 ASN 12 -6.232 -9.491 -23.201 99 H ARG 13 H ARG 13 -1.699 -13.281 -25.414 100 HA ARG 13 HA ARG 13 -0.457 -13.041 -27.914 101 HB2 ARG 13 2HB ARG 13 -0.184 -15.443 -27.842 102 HB3 ARG 13 3HB ARG 13 0.083 -14.781 -26.235 103 HG2 ARG 13 2HG ARG 13 -2.466 -15.346 -25.934 104 HG3 ARG 13 3HG ARG 13 -2.134 -16.483 -27.243 105 HD2 ARG 13 2HD ARG 13 -0.536 -17.643 -25.974 106 HD3 ARG 13 3HD ARG 13 -0.401 -16.338 -24.796 107 HE ARG 13 HE ARG 13 -2.232 -17.178 -23.698 108 HH11 ARG 13 1HH1 ARG 13 -1.980 -18.664 -26.836 109 HH12 ARG 13 2HH1 ARG 13 -3.211 -19.842 -26.521 110 HH21 ARG 13 1HH2 ARG 13 -3.854 -18.724 -23.271 111 HH22 ARG 13 2HH2 ARG 13 -4.277 -19.875 -24.494 112 H ARG 14 H ARG 14 -3.740 -13.394 -27.115 113 HA ARG 14 HA ARG 14 -4.612 -14.802 -29.435 114 HB2 ARG 14 2HB ARG 14 -6.040 -13.085 -27.411 115 HB3 ARG 14 3HB ARG 14 -6.872 -13.825 -28.771 116 HG2 ARG 14 2HG ARG 14 -6.788 -15.895 -27.876 117 HG3 ARG 14 3HG ARG 14 -5.217 -15.622 -27.119 118 HD2 ARG 14 2HD ARG 14 -6.130 -14.711 -25.232 119 HD3 ARG 14 3HD ARG 14 -7.550 -14.104 -26.083 120 HE ARG 14 HE ARG 14 -7.258 -16.655 -24.810 121 HH11 ARG 14 1HH1 ARG 14 -8.904 -14.910 -27.333 122 HH12 ARG 14 2HH1 ARG 14 -10.271 -15.974 -27.357 123 HH21 ARG 14 1HH2 ARG 14 -9.052 -18.063 -24.832 124 HH22 ARG 14 2HH2 ARG 14 -10.355 -17.767 -25.933 125 H THR 15 H THR 15 -4.865 -11.367 -28.506 126 HA THR 15 HA THR 15 -5.374 -10.679 -31.304 127 HB THR 15 HB THR 15 -6.920 -9.661 -29.781 128 HG1 THR 15 HG1 THR 15 -6.228 -7.352 -30.106 129 HG21 THR 15 1HG2 THR 15 -6.141 -8.109 -28.001 130 HG22 THR 15 2HG2 THR 15 -4.486 -8.626 -28.325 131 HG23 THR 15 3HG2 THR 15 -5.670 -9.785 -27.720 132 H GLY 16 H GLY 16 -2.707 -11.296 -29.720 133 HA2 GLY 16 2HA GLY 16 -0.518 -10.609 -29.836 134 HA3 GLY 16 3HA GLY 16 -0.969 -9.925 -31.391 135 H LYS 17 H LYS 17 -1.108 -9.241 -27.906 136 HA LYS 17 HA LYS 17 -0.160 -6.552 -28.389 137 HB2 LYS 17 2HB LYS 17 -2.922 -7.114 -27.324 138 HB3 LYS 17 3HB LYS 17 -2.084 -5.605 -26.990 139 HG2 LYS 17 2HG LYS 17 -1.910 -5.198 -29.416 140 HG3 LYS 17 3HG LYS 17 -2.838 -6.672 -29.702 141 HD2 LYS 17 2HD LYS 17 -4.793 -5.716 -29.090 142 HD3 LYS 17 3HD LYS 17 -4.041 -4.750 -27.818 143 HE2 LYS 17 2HE LYS 17 -3.573 -3.015 -29.223 144 HE3 LYS 17 3HE LYS 17 -3.402 -4.059 -30.633 145 HZ1 LYS 17 1HZ LYS 17 -5.410 -2.559 -30.580 146 HZ2 LYS 17 2HZ LYS 17 -6.022 -3.550 -29.353 147 HZ3 LYS 17 3HZ LYS 17 -5.716 -4.194 -30.887 148 H CYS 18 H CYS 18 1.426 -6.362 -26.962 149 HA CYS 18 HA CYS 18 0.928 -7.172 -24.184 150 HB2 CYS 18 2HB CYS 18 2.397 -8.793 -25.654 151 HB3 CYS 18 3HB CYS 18 3.650 -7.593 -25.353 152 H GLN 19 H GLN 19 2.153 -6.029 -22.610 153 HA GLN 19 HA GLN 19 4.086 -4.103 -23.079 154 HB2 GLN 19 2HB GLN 19 2.864 -2.578 -24.227 155 HB3 GLN 19 3HB GLN 19 1.332 -3.199 -23.628 156 HG2 GLN 19 2HG GLN 19 1.724 -2.062 -21.489 157 HG3 GLN 19 3HG GLN 19 3.230 -1.407 -22.131 158 HE21 GLN 19 1HE2 GLN 19 3.168 0.445 -23.222 159 HE22 GLN 19 2HE2 GLN 19 1.730 1.259 -23.726 160 H ARG 20 H ARG 20 4.481 -2.709 -21.213 161 HA ARG 20 HA ARG 20 3.191 -3.746 -18.775 162 HB2 ARG 20 2HB ARG 20 5.197 -4.293 -17.967 163 HB3 ARG 20 3HB ARG 20 5.904 -3.859 -19.518 164 HG2 ARG 20 2HG ARG 20 6.297 -1.608 -18.763 165 HG3 ARG 20 3HG ARG 20 5.457 -1.935 -17.246 166 HD2 ARG 20 2HD ARG 20 7.326 -2.717 -16.338 167 HD3 ARG 20 3HD ARG 20 7.499 -3.896 -17.637 168 HE ARG 20 HE ARG 20 8.377 -1.474 -18.647 169 HH11 ARG 20 1HH1 ARG 20 9.256 -3.660 -16.084 170 HH12 ARG 20 2HH1 ARG 20 10.937 -3.243 -16.129 171 HH21 ARG 20 1HH2 ARG 20 10.588 -0.917 -18.715 172 HH22 ARG 20 2HH2 ARG 20 11.693 -1.682 -17.625 173 H PHE 21 H PHE 21 2.272 -2.301 -17.463 174 HA PHE 21 HA PHE 21 2.533 0.529 -18.133 175 HB2 PHE 21 2HB PHE 21 0.589 -0.897 -16.306 176 HB3 PHE 21 3HB PHE 21 0.555 0.824 -16.675 177 HD1 PHE 21 HD1 PHE 21 1.244 -1.939 -19.037 178 HD2 PHE 21 HD2 PHE 21 -1.523 1.022 -17.736 179 HE1 PHE 21 HE1 PHE 21 -0.162 -2.393 -21.005 180 HE2 PHE 21 HE2 PHE 21 -2.934 0.572 -19.701 181 HZ PHE 21 HZ PHE 21 -2.255 -1.138 -21.338 Start of MODEL 6 1 H1 GLY 1 H GLY 1 0.668 2.019 -1.117 2 HA2 GLY 1 2HA GLY 1 1.680 -0.033 0.335 3 HA3 GLY 1 3HA GLY 1 2.255 -0.386 -1.287 4 H SER 2 H SER 2 4.360 0.081 -1.281 5 HA SER 2 HA SER 2 5.142 2.814 -0.561 6 HB2 SER 2 2HB SER 2 5.924 0.400 0.839 7 HB3 SER 2 3HB SER 2 7.331 1.229 0.175 8 HG SER 2 HG SER 2 7.086 2.734 1.614 9 H LYS 3 H LYS 3 6.733 -0.180 -1.669 10 HA LYS 3 HA LYS 3 7.973 1.373 -3.832 11 HB2 LYS 3 2HB LYS 3 9.629 -0.408 -3.963 12 HB3 LYS 3 3HB LYS 3 9.511 0.194 -2.314 13 HG2 LYS 3 2HG LYS 3 7.693 -1.978 -2.633 14 HG3 LYS 3 3HG LYS 3 9.284 -2.462 -3.226 15 HD2 LYS 3 2HD LYS 3 8.972 -1.064 -0.591 16 HD3 LYS 3 3HD LYS 3 8.742 -2.809 -0.729 17 HE2 LYS 3 2HE LYS 3 11.196 -1.577 -1.889 18 HE3 LYS 3 3HE LYS 3 11.094 -1.789 -0.142 19 HZ1 LYS 3 1HZ LYS 3 12.127 -3.705 -1.063 20 HZ2 LYS 3 2HZ LYS 3 10.905 -3.903 -2.215 21 HZ3 LYS 3 3HZ LYS 3 10.573 -4.163 -0.576 22 H LYS 4 H LYS 4 8.422 -0.007 -5.853 23 HA LYS 4 HA LYS 4 5.951 -1.459 -6.539 24 HB2 LYS 4 2HB LYS 4 7.676 0.427 -8.105 25 HB3 LYS 4 3HB LYS 4 6.730 -0.792 -8.949 26 HG2 LYS 4 2HG LYS 4 5.116 0.597 -7.010 27 HG3 LYS 4 3HG LYS 4 5.886 1.727 -8.126 28 HD2 LYS 4 2HD LYS 4 5.060 0.244 -9.998 29 HD3 LYS 4 3HD LYS 4 4.093 -0.601 -8.788 30 HE2 LYS 4 2HE LYS 4 2.935 1.459 -8.239 31 HE3 LYS 4 3HE LYS 4 3.948 2.356 -9.369 32 HZ1 LYS 4 1HZ LYS 4 1.741 0.510 -9.913 33 HZ2 LYS 4 2HZ LYS 4 3.004 0.587 -11.034 34 HZ3 LYS 4 3HZ LYS 4 2.124 1.981 -10.655 35 HA PRO 5 HA PRO 5 9.373 -4.552 -6.780 36 HB2 PRO 5 2HB PRO 5 7.890 -6.592 -5.775 37 HB3 PRO 5 3HB PRO 5 8.758 -5.440 -4.752 38 HG2 PRO 5 2HG PRO 5 5.861 -5.496 -5.507 39 HG3 PRO 5 3HG PRO 5 6.600 -5.169 -3.929 40 HD2 PRO 5 2HD PRO 5 5.703 -3.198 -5.555 41 HD3 PRO 5 3HD PRO 5 7.095 -2.984 -4.473 42 H VAL 6 H VAL 6 5.971 -4.716 -7.707 43 HA VAL 6 HA VAL 6 6.766 -6.179 -10.128 44 HB VAL 6 HB VAL 6 4.221 -6.788 -8.628 45 HG11 VAL 6 1HG1 VAL 6 3.753 -8.304 -10.245 46 HG12 VAL 6 2HG1 VAL 6 4.744 -7.216 -11.219 47 HG13 VAL 6 3HG1 VAL 6 5.450 -8.681 -10.537 48 HG21 VAL 6 1HG2 VAL 6 6.195 -7.426 -7.290 49 HG22 VAL 6 2HG2 VAL 6 5.265 -8.822 -7.834 50 HG23 VAL 6 3HG2 VAL 6 6.773 -8.398 -8.644 51 HA PRO 7 HA PRO 7 4.536 -2.620 -11.721 52 HB2 PRO 7 2HB PRO 7 5.264 -3.029 -14.304 53 HB3 PRO 7 3HB PRO 7 6.332 -2.280 -13.112 54 HG2 PRO 7 2HG PRO 7 6.277 -5.108 -14.092 55 HG3 PRO 7 3HG PRO 7 7.671 -4.053 -13.798 56 HD2 PRO 7 2HD PRO 7 6.890 -5.959 -12.040 57 HD3 PRO 7 3HD PRO 7 7.640 -4.435 -11.525 58 H ILE 8 H ILE 8 3.195 -2.479 -13.932 59 HA ILE 8 HA ILE 8 1.378 -4.800 -13.921 60 HB ILE 8 HB ILE 8 -0.267 -3.026 -14.896 61 HG12 ILE 8 2HG1 ILE 8 1.317 -1.136 -13.198 62 HG13 ILE 8 3HG1 ILE 8 1.767 -1.355 -14.885 63 HG21 ILE 8 1HG2 ILE 8 -0.944 -2.406 -12.577 64 HG22 ILE 8 2HG2 ILE 8 -0.671 -4.132 -12.814 65 HG23 ILE 8 3HG2 ILE 8 0.546 -3.150 -11.998 66 HD11 ILE 8 1HD1 ILE 8 0.314 0.552 -14.645 67 HD12 ILE 8 2HD1 ILE 8 -0.511 -0.719 -15.547 68 HD13 ILE 8 3HD1 ILE 8 -0.907 -0.442 -13.852 69 H ILE 9 H ILE 9 1.271 -5.940 -15.732 70 HA ILE 9 HA ILE 9 1.702 -4.603 -18.304 71 HB ILE 9 HB ILE 9 3.576 -5.682 -18.807 72 HG12 ILE 9 2HG1 ILE 9 3.696 -8.250 -18.446 73 HG13 ILE 9 3HG1 ILE 9 2.000 -8.111 -17.997 74 HG21 ILE 9 1HG2 ILE 9 3.452 -6.913 -16.058 75 HG22 ILE 9 2HG2 ILE 9 4.891 -6.672 -17.047 76 HG23 ILE 9 3HG2 ILE 9 4.019 -5.280 -16.406 77 HD11 ILE 9 1HD1 ILE 9 3.233 -8.106 -20.609 78 HD12 ILE 9 2HD1 ILE 9 1.547 -8.348 -20.152 79 HD13 ILE 9 3HD1 ILE 9 2.175 -6.715 -20.373 80 H TYR 10 H TYR 10 0.484 -5.382 -19.967 81 HA TYR 10 HA TYR 10 -1.351 -7.593 -19.313 82 HB2 TYR 10 2HB TYR 10 -3.086 -6.496 -20.359 83 HB3 TYR 10 3HB TYR 10 -2.178 -5.123 -19.736 84 HD1 TYR 10 HD1 TYR 10 -3.334 -6.854 -22.700 85 HD2 TYR 10 HD2 TYR 10 -0.738 -3.799 -21.274 86 HE1 TYR 10 HE1 TYR 10 -3.164 -5.943 -24.979 87 HE2 TYR 10 HE2 TYR 10 -0.562 -2.880 -23.548 88 HH TYR 10 HH TYR 10 -2.302 -3.059 -25.747 89 H CYS 11 H CYS 11 -1.906 -9.070 -20.960 90 HA CYS 11 HA CYS 11 -0.434 -8.964 -23.467 91 HB2 CYS 11 2HB CYS 11 1.001 -10.139 -21.716 92 HB3 CYS 11 3HB CYS 11 -0.210 -11.417 -21.726 93 H ASN 12 H ASN 12 -1.729 -9.573 -25.065 94 HA ASN 12 HA ASN 12 -4.011 -11.324 -24.423 95 HB2 ASN 12 2HB ASN 12 -3.886 -8.760 -25.755 96 HB3 ASN 12 3HB ASN 12 -4.587 -9.978 -26.817 97 HD21 ASN 12 1HD2 ASN 12 -5.266 -7.735 -24.522 98 HD22 ASN 12 2HD2 ASN 12 -6.788 -8.337 -23.969 99 H ARG 13 H ARG 13 -2.856 -13.224 -24.906 100 HA ARG 13 HA ARG 13 -1.393 -13.685 -27.250 101 HB2 ARG 13 2HB ARG 13 -2.828 -15.514 -25.340 102 HB3 ARG 13 3HB ARG 13 -1.992 -16.141 -26.755 103 HG2 ARG 13 2HG ARG 13 -0.117 -16.167 -25.584 104 HG3 ARG 13 3HG ARG 13 -0.188 -14.407 -25.483 105 HD2 ARG 13 2HD ARG 13 -1.906 -14.976 -23.539 106 HD3 ARG 13 3HD ARG 13 -0.963 -16.465 -23.489 107 HE ARG 13 HE ARG 13 -0.126 -13.857 -22.635 108 HH11 ARG 13 1HH1 ARG 13 0.949 -16.951 -23.817 109 HH12 ARG 13 2HH1 ARG 13 2.531 -16.812 -23.124 110 HH21 ARG 13 1HH2 ARG 13 1.954 -13.663 -21.718 111 HH22 ARG 13 2HH2 ARG 13 3.101 -14.942 -21.929 112 H ARG 14 H ARG 14 -4.735 -13.308 -26.790 113 HA ARG 14 HA ARG 14 -5.682 -14.979 -28.888 114 HB2 ARG 14 2HB ARG 14 -6.890 -12.624 -27.442 115 HB3 ARG 14 3HB ARG 14 -7.743 -13.498 -28.708 116 HG2 ARG 14 2HG ARG 14 -8.544 -14.666 -26.962 117 HG3 ARG 14 3HG ARG 14 -7.032 -15.557 -27.144 118 HD2 ARG 14 2HD ARG 14 -6.339 -13.400 -25.561 119 HD3 ARG 14 3HD ARG 14 -7.942 -13.846 -24.978 120 HE ARG 14 HE ARG 14 -6.599 -16.212 -25.132 121 HH11 ARG 14 1HH1 ARG 14 -6.020 -13.162 -23.557 122 HH12 ARG 14 2HH1 ARG 14 -5.141 -13.862 -22.238 123 HH21 ARG 14 1HH2 ARG 14 -5.444 -17.146 -23.401 124 HH22 ARG 14 2HH2 ARG 14 -4.813 -16.128 -22.151 125 H THR 15 H THR 15 -4.897 -11.528 -28.675 126 HA THR 15 HA THR 15 -5.122 -11.357 -31.606 127 HB THR 15 HB THR 15 -6.594 -9.770 -30.592 128 HG1 THR 15 HG1 THR 15 -5.303 -7.737 -31.165 129 HG21 THR 15 1HG2 THR 15 -4.211 -8.984 -28.920 130 HG22 THR 15 2HG2 THR 15 -5.757 -9.625 -28.365 131 HG23 THR 15 3HG2 THR 15 -5.669 -8.003 -29.050 132 H GLY 16 H GLY 16 -2.842 -12.024 -29.490 133 HA2 GLY 16 2HA GLY 16 -0.562 -11.775 -29.398 134 HA3 GLY 16 3HA GLY 16 -0.675 -11.408 -31.113 135 H LYS 17 H LYS 17 -1.157 -9.892 -27.931 136 HA LYS 17 HA LYS 17 0.461 -7.643 -28.702 137 HB2 LYS 17 2HB LYS 17 -1.154 -5.943 -28.664 138 HB3 LYS 17 3HB LYS 17 -1.895 -7.214 -29.628 139 HG2 LYS 17 2HG LYS 17 -3.061 -7.963 -27.518 140 HG3 LYS 17 3HG LYS 17 -2.496 -6.460 -26.783 141 HD2 LYS 17 2HD LYS 17 -3.982 -6.423 -29.385 142 HD3 LYS 17 3HD LYS 17 -4.854 -6.532 -27.853 143 HE2 LYS 17 2HE LYS 17 -4.118 -4.438 -27.147 144 HE3 LYS 17 3HE LYS 17 -2.772 -4.421 -28.286 145 HZ1 LYS 17 1HZ LYS 17 -5.358 -3.380 -28.622 146 HZ2 LYS 17 2HZ LYS 17 -5.128 -4.606 -29.764 147 HZ3 LYS 17 3HZ LYS 17 -4.047 -3.306 -29.689 148 H CYS 18 H CYS 18 1.635 -7.206 -26.966 149 HA CYS 18 HA CYS 18 0.356 -7.226 -24.329 150 HB2 CYS 18 2HB CYS 18 3.103 -8.396 -24.662 151 HB3 CYS 18 3HB CYS 18 1.969 -8.597 -23.329 152 H GLN 19 H GLN 19 1.753 -6.166 -22.661 153 HA GLN 19 HA GLN 19 3.976 -4.601 -23.259 154 HB2 GLN 19 2HB GLN 19 3.019 -3.052 -24.601 155 HB3 GLN 19 3HB GLN 19 1.394 -3.424 -24.040 156 HG2 GLN 19 2HG GLN 19 1.803 -2.118 -22.010 157 HG3 GLN 19 3HG GLN 19 3.420 -1.730 -22.596 158 HE21 GLN 19 1HE2 GLN 19 3.599 -0.467 -24.532 159 HE22 GLN 19 2HE2 GLN 19 2.346 0.642 -24.958 160 H ARG 20 H ARG 20 4.540 -3.110 -21.536 161 HA ARG 20 HA ARG 20 3.058 -3.676 -19.052 162 HB2 ARG 20 2HB ARG 20 4.962 -4.377 -18.126 163 HB3 ARG 20 3HB ARG 20 5.757 -4.189 -19.684 164 HG2 ARG 20 2HG ARG 20 6.407 -1.941 -19.142 165 HG3 ARG 20 3HG ARG 20 5.483 -1.997 -17.640 166 HD2 ARG 20 2HD ARG 20 7.412 -2.614 -16.689 167 HD3 ARG 20 3HD ARG 20 7.097 -4.192 -17.409 168 HE ARG 20 HE ARG 20 8.821 -3.830 -18.871 169 HH11 ARG 20 1HH1 ARG 20 7.935 -0.812 -17.379 170 HH12 ARG 20 2HH1 ARG 20 9.278 0.060 -18.040 171 HH21 ARG 20 1HH2 ARG 20 10.594 -2.693 -19.748 172 HH22 ARG 20 2HH2 ARG 20 10.790 -1.011 -19.388 173 H PHE 21 H PHE 21 2.299 -1.992 -17.939 174 HA PHE 21 HA PHE 21 2.903 0.691 -18.913 175 HB2 PHE 21 2HB PHE 21 0.802 -0.281 -16.965 176 HB3 PHE 21 3HB PHE 21 0.972 1.380 -17.522 177 HD1 PHE 21 HD1 PHE 21 1.338 -1.686 -19.559 178 HD2 PHE 21 HD2 PHE 21 -1.071 1.696 -18.624 179 HE1 PHE 21 HE1 PHE 21 -0.108 -2.189 -21.484 180 HE2 PHE 21 HE2 PHE 21 -2.522 1.198 -20.548 181 HZ PHE 21 HZ PHE 21 -2.042 -0.747 -21.980 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.312 5.171 -1.742 2 HA2 GLY 1 2HA GLY 1 3.000 4.263 -3.977 3 HA3 GLY 1 3HA GLY 1 2.834 5.928 -3.440 4 H SER 2 H SER 2 4.379 2.860 -2.864 5 HA SER 2 HA SER 2 6.316 4.231 -1.128 6 HB2 SER 2 2HB SER 2 4.768 1.749 -0.585 7 HB3 SER 2 3HB SER 2 6.459 1.766 -0.085 8 HG SER 2 HG SER 2 5.834 3.905 0.888 9 H LYS 3 H LYS 3 5.959 0.952 -2.474 10 HA LYS 3 HA LYS 3 8.393 1.375 -4.052 11 HB2 LYS 3 2HB LYS 3 7.976 -1.125 -2.418 12 HB3 LYS 3 3HB LYS 3 9.421 -0.637 -3.294 13 HG2 LYS 3 2HG LYS 3 9.437 1.382 -1.687 14 HG3 LYS 3 3HG LYS 3 8.343 0.404 -0.707 15 HD2 LYS 3 2HD LYS 3 9.957 -1.280 -0.398 16 HD3 LYS 3 3HD LYS 3 10.970 -0.663 -1.704 17 HE2 LYS 3 2HE LYS 3 11.043 1.485 -0.189 18 HE3 LYS 3 3HE LYS 3 10.638 0.336 1.085 19 HZ1 LYS 3 1HZ LYS 3 13.101 0.636 -0.427 20 HZ2 LYS 3 2HZ LYS 3 12.622 -0.955 -0.110 21 HZ3 LYS 3 3HZ LYS 3 12.864 0.126 1.169 22 H LYS 4 H LYS 4 8.700 -0.262 -5.734 23 HA LYS 4 HA LYS 4 6.190 -1.590 -6.512 24 HB2 LYS 4 2HB LYS 4 8.080 -0.062 -8.310 25 HB3 LYS 4 3HB LYS 4 6.726 -1.032 -8.875 26 HG2 LYS 4 2HG LYS 4 6.506 1.377 -7.081 27 HG3 LYS 4 3HG LYS 4 6.210 1.363 -8.821 28 HD2 LYS 4 2HD LYS 4 4.476 -0.435 -8.360 29 HD3 LYS 4 3HD LYS 4 4.650 -0.023 -6.652 30 HE2 LYS 4 2HE LYS 4 4.325 2.431 -7.831 31 HE3 LYS 4 3HE LYS 4 3.277 1.401 -8.804 32 HZ1 LYS 4 1HZ LYS 4 2.991 2.255 -6.059 33 HZ2 LYS 4 2HZ LYS 4 2.665 0.615 -6.315 34 HZ3 LYS 4 3HZ LYS 4 1.809 1.791 -7.178 35 HA PRO 5 HA PRO 5 9.624 -4.678 -6.427 36 HB2 PRO 5 2HB PRO 5 8.107 -6.659 -5.356 37 HB3 PRO 5 3HB PRO 5 8.931 -5.442 -4.373 38 HG2 PRO 5 2HG PRO 5 6.067 -5.557 -5.237 39 HG3 PRO 5 3HG PRO 5 6.742 -5.130 -3.654 40 HD2 PRO 5 2HD PRO 5 5.907 -3.267 -5.432 41 HD3 PRO 5 3HD PRO 5 7.254 -2.981 -4.312 42 H VAL 6 H VAL 6 6.255 -4.938 -7.456 43 HA VAL 6 HA VAL 6 7.149 -6.523 -9.763 44 HB VAL 6 HB VAL 6 4.566 -7.087 -8.311 45 HG11 VAL 6 1HG1 VAL 6 5.194 -7.656 -10.857 46 HG12 VAL 6 2HG1 VAL 6 5.873 -9.076 -10.060 47 HG13 VAL 6 3HG1 VAL 6 4.165 -8.684 -9.861 48 HG21 VAL 6 1HG2 VAL 6 6.506 -7.616 -6.879 49 HG22 VAL 6 2HG2 VAL 6 5.613 -9.055 -7.369 50 HG23 VAL 6 3HG2 VAL 6 7.140 -8.654 -8.155 51 HA PRO 7 HA PRO 7 4.921 -3.097 -11.628 52 HB2 PRO 7 2HB PRO 7 5.739 -3.641 -14.159 53 HB3 PRO 7 3HB PRO 7 6.756 -2.807 -12.978 54 HG2 PRO 7 2HG PRO 7 6.774 -5.687 -13.795 55 HG3 PRO 7 3HG PRO 7 8.143 -4.595 -13.518 56 HD2 PRO 7 2HD PRO 7 7.333 -6.410 -11.680 57 HD3 PRO 7 3HD PRO 7 8.043 -4.847 -11.229 58 H ILE 8 H ILE 8 3.433 -2.973 -13.582 59 HA ILE 8 HA ILE 8 1.836 -5.445 -13.736 60 HB ILE 8 HB ILE 8 -0.014 -3.745 -14.437 61 HG12 ILE 8 2HG1 ILE 8 1.486 -1.898 -12.620 62 HG13 ILE 8 3HG1 ILE 8 1.857 -1.897 -14.341 63 HG21 ILE 8 1HG2 ILE 8 -0.198 -5.094 -12.470 64 HG22 ILE 8 2HG2 ILE 8 0.969 -4.090 -11.611 65 HG23 ILE 8 3HG2 ILE 8 -0.613 -3.436 -12.036 66 HD11 ILE 8 1HD1 ILE 8 -0.826 -1.357 -13.093 67 HD12 ILE 8 2HD1 ILE 8 0.255 -0.173 -13.829 68 HD13 ILE 8 3HD1 ILE 8 -0.500 -1.417 -14.825 69 H ILE 9 H ILE 9 1.730 -6.397 -15.653 70 HA ILE 9 HA ILE 9 1.894 -4.767 -18.083 71 HB ILE 9 HB ILE 9 3.827 -5.605 -18.785 72 HG12 ILE 9 2HG1 ILE 9 4.198 -8.173 -18.710 73 HG13 ILE 9 3HG1 ILE 9 2.524 -8.244 -18.171 74 HG21 ILE 9 1HG2 ILE 9 5.323 -6.641 -17.205 75 HG22 ILE 9 2HG2 ILE 9 4.367 -5.411 -16.379 76 HG23 ILE 9 3HG2 ILE 9 3.968 -7.118 -16.182 77 HD11 ILE 9 1HD1 ILE 9 3.603 -7.850 -20.822 78 HD12 ILE 9 2HD1 ILE 9 1.974 -8.299 -20.316 79 HD13 ILE 9 3HD1 ILE 9 2.438 -6.599 -20.388 80 H TYR 10 H TYR 10 0.659 -5.483 -19.762 81 HA TYR 10 HA TYR 10 -0.929 -7.915 -19.266 82 HB2 TYR 10 2HB TYR 10 -2.812 -6.887 -20.106 83 HB3 TYR 10 3HB TYR 10 -1.998 -5.505 -19.381 84 HD1 TYR 10 HD1 TYR 10 -3.158 -7.023 -22.458 85 HD2 TYR 10 HD2 TYR 10 -0.772 -3.898 -20.833 86 HE1 TYR 10 HE1 TYR 10 -3.199 -5.870 -24.631 87 HE2 TYR 10 HE2 TYR 10 -0.807 -2.736 -23.000 88 HH TYR 10 HH TYR 10 -2.134 -2.643 -25.018 89 H CYS 11 H CYS 11 -1.441 -9.260 -21.035 90 HA CYS 11 HA CYS 11 -0.126 -8.756 -23.582 91 HB2 CYS 11 2HB CYS 11 1.503 -9.964 -22.034 92 HB3 CYS 11 3HB CYS 11 0.413 -11.344 -22.128 93 H ASN 12 H ASN 12 -1.447 -9.319 -25.176 94 HA ASN 12 HA ASN 12 -3.524 -11.335 -24.622 95 HB2 ASN 12 2HB ASN 12 -3.703 -8.647 -25.677 96 HB3 ASN 12 3HB ASN 12 -4.353 -9.811 -26.828 97 HD21 ASN 12 1HD2 ASN 12 -5.098 -7.885 -24.280 98 HD22 ASN 12 2HD2 ASN 12 -6.526 -8.682 -23.721 99 H ARG 13 H ARG 13 -2.231 -13.056 -25.360 100 HA ARG 13 HA ARG 13 -0.867 -13.131 -27.805 101 HB2 ARG 13 2HB ARG 13 -1.085 -15.636 -27.561 102 HB3 ARG 13 3HB ARG 13 -0.366 -14.800 -26.191 103 HG2 ARG 13 2HG ARG 13 -2.280 -15.069 -24.874 104 HG3 ARG 13 3HG ARG 13 -3.288 -15.464 -26.268 105 HD2 ARG 13 2HD ARG 13 -0.999 -17.254 -25.855 106 HD3 ARG 13 3HD ARG 13 -2.203 -17.288 -24.567 107 HE ARG 13 HE ARG 13 -3.558 -17.459 -26.993 108 HH11 ARG 13 1HH1 ARG 13 -1.294 -19.327 -25.121 109 HH12 ARG 13 2HH1 ARG 13 -1.850 -20.852 -25.729 110 HH21 ARG 13 1HH2 ARG 13 -4.300 -19.460 -27.800 111 HH22 ARG 13 2HH2 ARG 13 -3.559 -20.926 -27.253 112 H ARG 14 H ARG 14 -4.198 -13.126 -27.151 113 HA ARG 14 HA ARG 14 -5.107 -14.656 -29.370 114 HB2 ARG 14 2HB ARG 14 -6.594 -12.457 -27.929 115 HB3 ARG 14 3HB ARG 14 -7.291 -13.765 -28.875 116 HG2 ARG 14 2HG ARG 14 -5.723 -14.155 -26.335 117 HG3 ARG 14 3HG ARG 14 -7.484 -14.077 -26.426 118 HD2 ARG 14 2HD ARG 14 -6.948 -15.941 -28.320 119 HD3 ARG 14 3HD ARG 14 -5.639 -16.240 -27.178 120 HE ARG 14 HE ARG 14 -8.225 -16.035 -25.942 121 HH11 ARG 14 1HH1 ARG 14 -5.970 -18.163 -27.526 122 HH12 ARG 14 2HH1 ARG 14 -6.611 -19.598 -26.798 123 HH21 ARG 14 1HH2 ARG 14 -9.079 -17.918 -24.977 124 HH22 ARG 14 2HH2 ARG 14 -8.380 -19.458 -25.349 125 H THR 15 H THR 15 -4.613 -11.189 -28.827 126 HA THR 15 HA THR 15 -5.021 -10.741 -31.709 127 HB THR 15 HB THR 15 -6.572 -9.414 -30.465 128 HG1 THR 15 HG1 THR 15 -6.091 -7.561 -31.449 129 HG21 THR 15 1HG2 THR 15 -5.632 -9.416 -28.276 130 HG22 THR 15 2HG2 THR 15 -5.726 -7.731 -28.788 131 HG23 THR 15 3HG2 THR 15 -4.182 -8.581 -28.829 132 H GLY 16 H GLY 16 -2.577 -11.396 -29.780 133 HA2 GLY 16 2HA GLY 16 -0.326 -10.941 -29.769 134 HA3 GLY 16 3HA GLY 16 -0.568 -10.412 -31.427 135 H LYS 17 H LYS 17 -1.012 -9.285 -28.081 136 HA LYS 17 HA LYS 17 0.351 -6.823 -28.679 137 HB2 LYS 17 2HB LYS 17 -1.407 -5.300 -28.385 138 HB3 LYS 17 3HB LYS 17 -2.083 -6.530 -29.444 139 HG2 LYS 17 2HG LYS 17 -3.056 -7.600 -27.375 140 HG3 LYS 17 3HG LYS 17 -2.588 -6.134 -26.510 141 HD2 LYS 17 2HD LYS 17 -4.286 -6.083 -28.994 142 HD3 LYS 17 3HD LYS 17 -4.973 -6.228 -27.374 143 HE2 LYS 17 2HE LYS 17 -4.223 -4.104 -26.743 144 HE3 LYS 17 3HE LYS 17 -3.064 -4.020 -28.069 145 HZ1 LYS 17 1HZ LYS 17 -5.298 -4.212 -29.452 146 HZ2 LYS 17 2HZ LYS 17 -4.682 -2.724 -28.934 147 HZ3 LYS 17 3HZ LYS 17 -5.927 -3.472 -28.067 148 H CYS 18 H CYS 18 1.576 -6.457 -26.962 149 HA CYS 18 HA CYS 18 0.453 -6.871 -24.286 150 HB2 CYS 18 2HB CYS 18 3.271 -7.732 -24.869 151 HB3 CYS 18 3HB CYS 18 2.237 -8.177 -23.515 152 H GLN 19 H GLN 19 1.841 -5.859 -22.580 153 HA GLN 19 HA GLN 19 3.876 -4.036 -23.107 154 HB2 GLN 19 2HB GLN 19 2.709 -2.456 -24.229 155 HB3 GLN 19 3HB GLN 19 1.158 -3.037 -23.637 156 HG2 GLN 19 2HG GLN 19 1.561 -1.914 -21.500 157 HG3 GLN 19 3HG GLN 19 3.101 -1.316 -22.114 158 HE21 GLN 19 1HE2 GLN 19 2.261 0.796 -21.647 159 HE22 GLN 19 2HE2 GLN 19 1.199 1.569 -22.769 160 H ARG 20 H ARG 20 4.399 -2.683 -21.262 161 HA ARG 20 HA ARG 20 3.115 -3.641 -18.788 162 HB2 ARG 20 2HB ARG 20 5.123 -4.249 -18.031 163 HB3 ARG 20 3HB ARG 20 5.810 -3.828 -19.594 164 HG2 ARG 20 2HG ARG 20 6.285 -1.595 -18.845 165 HG3 ARG 20 3HG ARG 20 5.455 -1.893 -17.317 166 HD2 ARG 20 2HD ARG 20 7.525 -2.354 -16.566 167 HD3 ARG 20 3HD ARG 20 7.238 -3.923 -17.317 168 HE ARG 20 HE ARG 20 8.317 -2.197 -19.240 169 HH11 ARG 20 1HH1 ARG 20 9.241 -3.816 -16.300 170 HH12 ARG 20 2HH1 ARG 20 10.916 -3.924 -16.732 171 HH21 ARG 20 1HH2 ARG 20 10.518 -2.334 -19.821 172 HH22 ARG 20 2HH2 ARG 20 11.641 -3.080 -18.735 173 H PHE 21 H PHE 21 2.271 -2.161 -17.466 174 HA PHE 21 HA PHE 21 2.577 0.654 -18.171 175 HB2 PHE 21 2HB PHE 21 0.684 -0.710 -16.244 176 HB3 PHE 21 3HB PHE 21 0.672 1.009 -16.627 177 HD1 PHE 21 HD1 PHE 21 -1.450 1.239 -17.592 178 HD2 PHE 21 HD2 PHE 21 1.198 -1.784 -18.997 179 HE1 PHE 21 HE1 PHE 21 -2.956 0.805 -19.488 180 HE2 PHE 21 HE2 PHE 21 -0.304 -2.222 -20.895 181 HZ PHE 21 HZ PHE 21 -2.384 -0.927 -21.144 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -0.141 1.532 0.480 2 HA2 GLY 1 2HA GLY 1 1.771 0.274 -1.287 3 HA3 GLY 1 3HA GLY 1 0.947 1.802 -1.556 4 H SER 2 H SER 2 3.894 0.514 -1.199 5 HA SER 2 HA SER 2 5.004 3.049 -0.231 6 HB2 SER 2 2HB SER 2 6.528 0.669 0.605 7 HB3 SER 2 3HB SER 2 6.170 2.151 1.493 8 HG SER 2 HG SER 2 4.534 -0.134 1.160 9 H LYS 3 H LYS 3 5.806 -0.117 -1.645 10 HA LYS 3 HA LYS 3 7.595 1.279 -3.521 11 HB2 LYS 3 2HB LYS 3 9.083 -0.703 -3.464 12 HB3 LYS 3 3HB LYS 3 8.991 0.127 -1.917 13 HG2 LYS 3 2HG LYS 3 7.860 -1.585 -0.905 14 HG3 LYS 3 3HG LYS 3 7.159 -2.163 -2.419 15 HD2 LYS 3 2HD LYS 3 9.004 -3.394 -2.961 16 HD3 LYS 3 3HD LYS 3 10.111 -2.307 -2.119 17 HE2 LYS 3 2HE LYS 3 9.074 -3.166 0.035 18 HE3 LYS 3 3HE LYS 3 8.323 -4.423 -0.947 19 HZ1 LYS 3 1HZ LYS 3 10.513 -5.142 -1.652 20 HZ2 LYS 3 2HZ LYS 3 10.401 -5.174 0.036 21 HZ3 LYS 3 3HZ LYS 3 11.243 -3.924 -0.732 22 H LYS 4 H LYS 4 7.890 0.210 -5.577 23 HA LYS 4 HA LYS 4 5.565 -1.445 -6.307 24 HB2 LYS 4 2HB LYS 4 6.009 -0.565 -8.643 25 HB3 LYS 4 3HB LYS 4 5.414 0.610 -7.477 26 HG2 LYS 4 2HG LYS 4 7.314 1.818 -7.522 27 HG3 LYS 4 3HG LYS 4 8.343 0.395 -7.697 28 HD2 LYS 4 2HD LYS 4 8.023 0.305 -10.011 29 HD3 LYS 4 3HD LYS 4 6.586 1.328 -9.943 30 HE2 LYS 4 2HE LYS 4 8.475 2.980 -8.897 31 HE3 LYS 4 3HE LYS 4 9.429 2.057 -10.057 32 HZ1 LYS 4 1HZ LYS 4 8.660 3.513 -11.538 33 HZ2 LYS 4 2HZ LYS 4 7.427 4.065 -10.520 34 HZ3 LYS 4 3HZ LYS 4 7.194 2.672 -11.452 35 HA PRO 5 HA PRO 5 9.250 -4.183 -6.815 36 HB2 PRO 5 2HB PRO 5 7.988 -6.413 -5.919 37 HB3 PRO 5 3HB PRO 5 8.770 -5.252 -4.839 38 HG2 PRO 5 2HG PRO 5 5.873 -5.531 -5.542 39 HG3 PRO 5 3HG PRO 5 6.617 -5.238 -3.960 40 HD2 PRO 5 2HD PRO 5 5.503 -3.259 -5.435 41 HD3 PRO 5 3HD PRO 5 6.895 -2.986 -4.367 42 H VAL 6 H VAL 6 5.857 -4.602 -7.688 43 HA VAL 6 HA VAL 6 6.723 -5.829 -10.214 44 HB VAL 6 HB VAL 6 4.279 -6.762 -8.713 45 HG11 VAL 6 1HG1 VAL 6 4.777 -6.975 -11.334 46 HG12 VAL 6 2HG1 VAL 6 5.630 -8.410 -10.762 47 HG13 VAL 6 3HG1 VAL 6 3.912 -8.208 -10.417 48 HG21 VAL 6 1HG2 VAL 6 5.520 -8.737 -8.070 49 HG22 VAL 6 2HG2 VAL 6 6.965 -8.128 -8.878 50 HG23 VAL 6 3HG2 VAL 6 6.336 -7.300 -7.454 51 HA PRO 7 HA PRO 7 4.144 -2.395 -11.532 52 HB2 PRO 7 2HB PRO 7 4.846 -2.572 -14.148 53 HB3 PRO 7 3HB PRO 7 5.870 -1.804 -12.929 54 HG2 PRO 7 2HG PRO 7 6.047 -4.558 -14.090 55 HG3 PRO 7 3HG PRO 7 7.347 -3.400 -13.752 56 HD2 PRO 7 2HD PRO 7 6.783 -5.478 -12.110 57 HD3 PRO 7 3HD PRO 7 7.404 -3.927 -11.509 58 H ILE 8 H ILE 8 2.806 -2.271 -13.790 59 HA ILE 8 HA ILE 8 1.155 -4.712 -13.831 60 HB ILE 8 HB ILE 8 -0.606 -3.037 -14.777 61 HG12 ILE 8 2HG1 ILE 8 0.832 -1.076 -13.032 62 HG13 ILE 8 3HG1 ILE 8 1.310 -1.230 -14.719 63 HG21 ILE 8 1HG2 ILE 8 0.206 -3.166 -11.879 64 HG22 ILE 8 2HG2 ILE 8 -1.330 -2.514 -12.448 65 HG23 ILE 8 3HG2 ILE 8 -0.939 -4.212 -12.720 66 HD11 ILE 8 1HD1 ILE 8 -1.009 -0.750 -15.385 67 HD12 ILE 8 2HD1 ILE 8 -1.422 -0.513 -13.687 68 HD13 ILE 8 3HD1 ILE 8 -0.268 0.564 -14.473 69 H ILE 9 H ILE 9 1.131 -5.821 -15.664 70 HA ILE 9 HA ILE 9 1.473 -4.406 -18.208 71 HB ILE 9 HB ILE 9 3.419 -5.342 -18.727 72 HG12 ILE 9 2HG1 ILE 9 3.718 -7.902 -18.413 73 HG13 ILE 9 3HG1 ILE 9 2.015 -7.890 -17.967 74 HG21 ILE 9 1HG2 ILE 9 4.799 -6.267 -16.982 75 HG22 ILE 9 2HG2 ILE 9 3.827 -4.955 -16.317 76 HG23 ILE 9 3HG2 ILE 9 3.379 -6.631 -16.003 77 HD11 ILE 9 1HD1 ILE 9 1.585 -8.120 -20.128 78 HD12 ILE 9 2HD1 ILE 9 2.098 -6.443 -20.318 79 HD13 ILE 9 3HD1 ILE 9 3.251 -7.752 -20.574 80 H TYR 10 H TYR 10 0.318 -5.236 -19.892 81 HA TYR 10 HA TYR 10 -1.361 -7.581 -19.287 82 HB2 TYR 10 2HB TYR 10 -3.165 -6.587 -20.319 83 HB3 TYR 10 3HB TYR 10 -2.356 -5.166 -19.667 84 HD1 TYR 10 HD1 TYR 10 -3.382 -6.917 -22.668 85 HD2 TYR 10 HD2 TYR 10 -1.007 -3.717 -21.174 86 HE1 TYR 10 HE1 TYR 10 -3.269 -5.953 -24.928 87 HE2 TYR 10 HE2 TYR 10 -0.889 -2.745 -23.430 88 HH TYR 10 HH TYR 10 -2.521 -2.939 -25.607 89 H CYS 11 H CYS 11 -1.807 -9.061 -20.964 90 HA CYS 11 HA CYS 11 -0.339 -8.805 -23.463 91 HB2 CYS 11 2HB CYS 11 1.170 -9.910 -21.728 92 HB3 CYS 11 3HB CYS 11 0.052 -11.269 -21.768 93 H ASN 12 H ASN 12 -1.585 -9.473 -25.077 94 HA ASN 12 HA ASN 12 -3.739 -11.393 -24.477 95 HB2 ASN 12 2HB ASN 12 -3.793 -8.800 -25.759 96 HB3 ASN 12 3HB ASN 12 -4.407 -10.043 -26.845 97 HD21 ASN 12 1HD2 ASN 12 -5.240 -7.899 -24.505 98 HD22 ASN 12 2HD2 ASN 12 -6.717 -8.616 -23.967 99 H ARG 13 H ARG 13 -2.449 -13.195 -24.995 100 HA ARG 13 HA ARG 13 -0.955 -13.504 -27.343 101 HB2 ARG 13 2HB ARG 13 -1.943 -15.225 -25.197 102 HB3 ARG 13 3HB ARG 13 -1.836 -16.052 -26.745 103 HG2 ARG 13 2HG ARG 13 0.479 -15.652 -26.915 104 HG3 ARG 13 3HG ARG 13 0.445 -14.467 -25.607 105 HD2 ARG 13 2HD ARG 13 -0.586 -16.757 -24.451 106 HD3 ARG 13 3HD ARG 13 0.697 -17.360 -25.499 107 HE ARG 13 HE ARG 13 1.004 -15.814 -23.096 108 HH11 ARG 13 1HH1 ARG 13 2.459 -16.713 -26.129 109 HH12 ARG 13 2HH1 ARG 13 4.078 -16.401 -25.594 110 HH21 ARG 13 1HH2 ARG 13 3.130 -15.400 -22.381 111 HH22 ARG 13 2HH2 ARG 13 4.458 -15.655 -23.462 112 H ARG 14 H ARG 14 -4.317 -13.377 -26.883 113 HA ARG 14 HA ARG 14 -5.140 -15.068 -29.017 114 HB2 ARG 14 2HB ARG 14 -6.581 -12.760 -27.698 115 HB3 ARG 14 3HB ARG 14 -7.320 -13.933 -28.779 116 HG2 ARG 14 2HG ARG 14 -7.762 -15.215 -27.034 117 HG3 ARG 14 3HG ARG 14 -6.028 -15.406 -26.761 118 HD2 ARG 14 2HD ARG 14 -5.966 -13.778 -25.142 119 HD3 ARG 14 3HD ARG 14 -7.372 -12.933 -25.788 120 HE ARG 14 HE ARG 14 -8.679 -14.178 -24.399 121 HH11 ARG 14 1HH1 ARG 14 -5.648 -15.833 -24.844 122 HH12 ARG 14 2HH1 ARG 14 -6.015 -17.085 -23.704 123 HH21 ARG 14 1HH2 ARG 14 -9.174 -15.821 -22.896 124 HH22 ARG 14 2HH2 ARG 14 -8.021 -17.078 -22.598 125 H THR 15 H THR 15 -4.621 -11.571 -28.733 126 HA THR 15 HA THR 15 -4.849 -11.359 -31.661 127 HB THR 15 HB THR 15 -6.428 -9.899 -30.621 128 HG1 THR 15 HG1 THR 15 -5.272 -7.768 -31.138 129 HG21 THR 15 1HG2 THR 15 -5.603 -9.751 -28.386 130 HG22 THR 15 2HG2 THR 15 -5.640 -8.110 -29.033 131 HG23 THR 15 3HG2 THR 15 -4.111 -8.981 -28.924 132 H GLY 16 H GLY 16 -2.528 -11.905 -29.555 133 HA2 GLY 16 2HA GLY 16 -0.270 -11.499 -29.458 134 HA3 GLY 16 3HA GLY 16 -0.410 -11.107 -31.165 135 H LYS 17 H LYS 17 -0.969 -9.699 -27.947 136 HA LYS 17 HA LYS 17 0.480 -7.327 -28.671 137 HB2 LYS 17 2HB LYS 17 -1.244 -5.743 -28.619 138 HB3 LYS 17 3HB LYS 17 -1.907 -7.050 -29.592 139 HG2 LYS 17 2HG LYS 17 -3.022 -7.892 -27.499 140 HG3 LYS 17 3HG LYS 17 -2.532 -6.380 -26.730 141 HD2 LYS 17 2HD LYS 17 -3.756 -5.125 -28.451 142 HD3 LYS 17 3HD LYS 17 -4.265 -6.646 -29.188 143 HE2 LYS 17 2HE LYS 17 -5.264 -7.216 -26.912 144 HE3 LYS 17 3HE LYS 17 -5.025 -5.517 -26.508 145 HZ1 LYS 17 1HZ LYS 17 -7.003 -5.189 -27.436 146 HZ2 LYS 17 2HZ LYS 17 -7.040 -6.730 -28.133 147 HZ3 LYS 17 3HZ LYS 17 -6.265 -5.458 -28.935 148 H CYS 18 H CYS 18 1.613 -6.836 -26.923 149 HA CYS 18 HA CYS 18 0.334 -7.001 -24.291 150 HB2 CYS 18 2HB CYS 18 3.157 -7.970 -24.642 151 HB3 CYS 18 3HB CYS 18 2.043 -8.271 -23.313 152 H GLN 19 H GLN 19 1.648 -5.878 -22.598 153 HA GLN 19 HA GLN 19 3.757 -4.149 -23.156 154 HB2 GLN 19 2HB GLN 19 2.695 -2.646 -24.472 155 HB3 GLN 19 3HB GLN 19 1.099 -3.141 -23.923 156 HG2 GLN 19 2HG GLN 19 1.413 -1.850 -21.867 157 HG3 GLN 19 3HG GLN 19 3.000 -1.338 -22.441 158 HE21 GLN 19 1HE2 GLN 19 2.564 -0.746 -25.032 159 HE22 GLN 19 2HE2 GLN 19 1.441 0.559 -25.177 160 H ARG 20 H ARG 20 4.209 -2.655 -21.403 161 HA ARG 20 HA ARG 20 2.764 -3.374 -18.936 162 HB2 ARG 20 2HB ARG 20 4.711 -3.957 -18.015 163 HB3 ARG 20 3HB ARG 20 5.494 -3.685 -19.566 164 HG2 ARG 20 2HG ARG 20 5.983 -1.406 -18.980 165 HG3 ARG 20 3HG ARG 20 5.063 -1.558 -17.482 166 HD2 ARG 20 2HD ARG 20 7.289 -1.803 -16.815 167 HD3 ARG 20 3HD ARG 20 6.679 -3.455 -16.901 168 HE ARG 20 HE ARG 20 7.763 -3.003 -19.363 169 HH11 ARG 20 1HH1 ARG 20 8.926 -2.800 -16.087 170 HH12 ARG 20 2HH1 ARG 20 10.562 -3.191 -16.506 171 HH21 ARG 20 1HH2 ARG 20 9.913 -3.519 -19.926 172 HH22 ARG 20 2HH2 ARG 20 11.122 -3.599 -18.689 173 H PHE 21 H PHE 21 1.886 -1.770 -17.793 174 HA PHE 21 HA PHE 21 2.303 0.968 -18.711 175 HB2 PHE 21 2HB PHE 21 0.269 -0.188 -16.793 176 HB3 PHE 21 3HB PHE 21 0.324 1.492 -17.316 177 HD1 PHE 21 HD1 PHE 21 -1.733 1.685 -18.421 178 HD2 PHE 21 HD2 PHE 21 0.911 -1.499 -19.413 179 HE1 PHE 21 HE1 PHE 21 -3.140 1.126 -20.360 180 HE2 PHE 21 HE2 PHE 21 -0.491 -2.063 -21.354 181 HZ PHE 21 HZ PHE 21 -2.519 -0.750 -21.831 Start of MODEL 9 1 H1 GLY 1 H GLY 1 0.674 1.141 -0.817 2 HA2 GLY 1 2HA GLY 1 2.288 2.115 -2.732 3 HA3 GLY 1 3HA GLY 1 1.565 3.164 -1.521 4 H SER 2 H SER 2 4.226 0.789 -1.503 5 HA SER 2 HA SER 2 5.958 2.905 -0.404 6 HB2 SER 2 2HB SER 2 7.055 0.533 0.505 7 HB3 SER 2 3HB SER 2 6.068 1.642 1.457 8 HG SER 2 HG SER 2 5.461 -0.746 1.181 9 H LYS 3 H LYS 3 6.094 -0.320 -1.921 10 HA LYS 3 HA LYS 3 8.198 0.693 -3.702 11 HB2 LYS 3 2HB LYS 3 8.296 -2.064 -2.483 12 HB3 LYS 3 3HB LYS 3 9.549 -1.247 -3.408 13 HG2 LYS 3 2HG LYS 3 9.626 0.453 -1.527 14 HG3 LYS 3 3HG LYS 3 8.645 -0.686 -0.602 15 HD2 LYS 3 2HD LYS 3 10.383 -2.413 -0.969 16 HD3 LYS 3 3HD LYS 3 11.373 -1.202 -1.786 17 HE2 LYS 3 2HE LYS 3 10.354 -0.791 1.008 18 HE3 LYS 3 3HE LYS 3 11.848 -1.671 0.688 19 HZ1 LYS 3 1HZ LYS 3 12.780 0.248 -0.347 20 HZ2 LYS 3 2HZ LYS 3 12.170 0.722 1.158 21 HZ3 LYS 3 3HZ LYS 3 11.317 1.092 -0.255 22 H LYS 4 H LYS 4 8.378 -0.415 -5.716 23 HA LYS 4 HA LYS 4 5.928 -1.880 -6.448 24 HB2 LYS 4 2HB LYS 4 7.662 0.002 -8.043 25 HB3 LYS 4 3HB LYS 4 6.488 -1.067 -8.800 26 HG2 LYS 4 2HG LYS 4 4.762 0.226 -8.220 27 HG3 LYS 4 3HG LYS 4 5.397 0.513 -6.598 28 HD2 LYS 4 2HD LYS 4 6.813 2.258 -7.371 29 HD3 LYS 4 3HD LYS 4 6.511 1.844 -9.060 30 HE2 LYS 4 2HE LYS 4 4.395 2.769 -9.043 31 HE3 LYS 4 3HE LYS 4 4.226 2.610 -7.296 32 HZ1 LYS 4 1HZ LYS 4 6.259 4.306 -7.425 33 HZ2 LYS 4 2HZ LYS 4 4.644 4.807 -7.374 34 HZ3 LYS 4 3HZ LYS 4 5.460 4.731 -8.854 35 HA PRO 5 HA PRO 5 9.401 -4.891 -6.902 36 HB2 PRO 5 2HB PRO 5 7.970 -7.011 -5.990 37 HB3 PRO 5 3HB PRO 5 8.830 -5.900 -4.918 38 HG2 PRO 5 2HG PRO 5 5.925 -5.969 -5.637 39 HG3 PRO 5 3HG PRO 5 6.680 -5.714 -4.053 40 HD2 PRO 5 2HD PRO 5 5.726 -3.675 -5.557 41 HD3 PRO 5 3HD PRO 5 7.128 -3.494 -4.483 42 H VAL 6 H VAL 6 5.992 -5.060 -7.796 43 HA VAL 6 HA VAL 6 6.779 -6.382 -10.300 44 HB VAL 6 HB VAL 6 4.259 -7.104 -8.808 45 HG11 VAL 6 1HG1 VAL 6 4.777 -7.392 -11.426 46 HG12 VAL 6 2HG1 VAL 6 5.482 -8.890 -10.816 47 HG13 VAL 6 3HG1 VAL 6 3.785 -8.522 -10.505 48 HG21 VAL 6 1HG2 VAL 6 5.338 -9.161 -8.132 49 HG22 VAL 6 2HG2 VAL 6 6.832 -8.677 -8.935 50 HG23 VAL 6 3HG2 VAL 6 6.258 -7.784 -7.526 51 HA PRO 7 HA PRO 7 4.485 -2.775 -11.680 52 HB2 PRO 7 2HB PRO 7 5.190 -3.038 -14.288 53 HB3 PRO 7 3HB PRO 7 6.262 -2.337 -13.069 54 HG2 PRO 7 2HG PRO 7 6.232 -5.111 -14.196 55 HG3 PRO 7 3HG PRO 7 7.616 -4.054 -13.861 56 HD2 PRO 7 2HD PRO 7 6.880 -6.060 -12.199 57 HD3 PRO 7 3HD PRO 7 7.615 -4.555 -11.612 58 H ILE 8 H ILE 8 3.167 -2.569 -13.937 59 HA ILE 8 HA ILE 8 1.340 -4.881 -13.973 60 HB ILE 8 HB ILE 8 -0.289 -3.084 -14.934 61 HG12 ILE 8 2HG1 ILE 8 1.278 -1.227 -13.188 62 HG13 ILE 8 3HG1 ILE 8 1.760 -1.425 -14.870 63 HG21 ILE 8 1HG2 ILE 8 -0.718 -4.222 -12.876 64 HG22 ILE 8 2HG2 ILE 8 0.500 -3.265 -12.033 65 HG23 ILE 8 3HG2 ILE 8 -0.981 -2.499 -12.609 66 HD11 ILE 8 1HD1 ILE 8 0.317 0.482 -14.653 67 HD12 ILE 8 2HD1 ILE 8 -0.517 -0.783 -15.557 68 HD13 ILE 8 3HD1 ILE 8 -0.919 -0.498 -13.864 69 H ILE 9 H ILE 9 1.241 -5.993 -15.802 70 HA ILE 9 HA ILE 9 1.696 -4.620 -18.350 71 HB ILE 9 HB ILE 9 3.569 -5.701 -18.857 72 HG12 ILE 9 2HG1 ILE 9 3.676 -8.274 -18.528 73 HG13 ILE 9 3HG1 ILE 9 1.977 -8.133 -18.091 74 HG21 ILE 9 1HG2 ILE 9 4.010 -5.329 -16.457 75 HG22 ILE 9 2HG2 ILE 9 3.414 -6.954 -16.120 76 HG23 ILE 9 3HG2 ILE 9 4.864 -6.732 -17.099 77 HD11 ILE 9 1HD1 ILE 9 3.232 -8.099 -20.693 78 HD12 ILE 9 2HD1 ILE 9 1.541 -8.341 -20.253 79 HD13 ILE 9 3HD1 ILE 9 2.177 -6.707 -20.448 80 H TYR 10 H TYR 10 0.490 -5.371 -20.036 81 HA TYR 10 HA TYR 10 -1.361 -7.581 -19.427 82 HB2 TYR 10 2HB TYR 10 -3.082 -6.461 -20.473 83 HB3 TYR 10 3HB TYR 10 -2.172 -5.101 -19.824 84 HD1 TYR 10 HD1 TYR 10 -0.714 -3.763 -21.330 85 HD2 TYR 10 HD2 TYR 10 -3.312 -6.785 -22.821 86 HE1 TYR 10 HE1 TYR 10 -0.512 -2.813 -23.590 87 HE2 TYR 10 HE2 TYR 10 -3.116 -5.844 -25.085 88 HH TYR 10 HH TYR 10 -0.847 -3.295 -25.827 89 H CYS 11 H CYS 11 -1.909 -9.032 -21.099 90 HA CYS 11 HA CYS 11 -0.416 -8.900 -23.592 91 HB2 CYS 11 2HB CYS 11 0.998 -10.105 -21.843 92 HB3 CYS 11 3HB CYS 11 -0.218 -11.378 -21.883 93 H ASN 12 H ASN 12 -1.710 -9.469 -25.204 94 HA ASN 12 HA ASN 12 -4.001 -11.224 -24.606 95 HB2 ASN 12 2HB ASN 12 -3.854 -8.641 -25.903 96 HB3 ASN 12 3HB ASN 12 -4.561 -9.841 -26.981 97 HD21 ASN 12 1HD2 ASN 12 -5.240 -7.614 -24.679 98 HD22 ASN 12 2HD2 ASN 12 -6.764 -8.216 -24.129 99 H ARG 13 H ARG 13 -2.843 -13.119 -25.110 100 HA ARG 13 HA ARG 13 -1.371 -13.548 -27.454 101 HB2 ARG 13 2HB ARG 13 -2.948 -15.630 -25.938 102 HB3 ARG 13 3HB ARG 13 -1.544 -15.900 -26.961 103 HG2 ARG 13 2HG ARG 13 -0.716 -14.052 -25.037 104 HG3 ARG 13 3HG ARG 13 -1.673 -15.252 -24.167 105 HD2 ARG 13 2HD ARG 13 -0.313 -17.024 -25.310 106 HD3 ARG 13 3HD ARG 13 0.724 -15.737 -25.925 107 HE ARG 13 HE ARG 13 0.680 -15.314 -23.241 108 HH11 ARG 13 1HH1 ARG 13 1.428 -18.051 -25.258 109 HH12 ARG 13 2HH1 ARG 13 2.574 -18.723 -24.145 110 HH21 ARG 13 1HH2 ARG 13 2.186 -16.188 -21.768 111 HH22 ARG 13 2HH2 ARG 13 3.004 -17.663 -22.160 112 H ARG 14 H ARG 14 -4.715 -13.174 -27.002 113 HA ARG 14 HA ARG 14 -5.657 -14.814 -29.126 114 HB2 ARG 14 2HB ARG 14 -6.960 -12.372 -27.910 115 HB3 ARG 14 3HB ARG 14 -7.758 -13.609 -28.872 116 HG2 ARG 14 2HG ARG 14 -6.400 -14.173 -26.250 117 HG3 ARG 14 3HG ARG 14 -8.111 -13.771 -26.400 118 HD2 ARG 14 2HD ARG 14 -7.847 -15.747 -28.255 119 HD3 ARG 14 3HD ARG 14 -6.690 -16.260 -27.026 120 HE ARG 14 HE ARG 14 -9.274 -15.528 -25.985 121 HH11 ARG 14 1HH1 ARG 14 -7.318 -18.091 -27.298 122 HH12 ARG 14 2HH1 ARG 14 -8.252 -19.355 -26.568 123 HH21 ARG 14 1HH2 ARG 14 -10.512 -17.183 -25.018 124 HH22 ARG 14 2HH2 ARG 14 -10.069 -18.837 -25.273 125 H THR 15 H THR 15 -4.844 -11.374 -28.867 126 HA THR 15 HA THR 15 -5.063 -11.164 -31.797 127 HB THR 15 HB THR 15 -6.532 -9.582 -30.773 128 HG1 THR 15 HG1 THR 15 -4.277 -7.978 -31.332 129 HG21 THR 15 1HG2 THR 15 -5.610 -7.840 -29.199 130 HG22 THR 15 2HG2 THR 15 -4.160 -8.836 -29.070 131 HG23 THR 15 3HG2 THR 15 -5.717 -9.471 -28.539 132 H GLY 16 H GLY 16 -2.796 -11.858 -29.671 133 HA2 GLY 16 2HA GLY 16 -0.514 -11.624 -29.571 134 HA3 GLY 16 3HA GLY 16 -0.619 -11.232 -31.281 135 H LYS 17 H LYS 17 -1.093 -9.766 -28.074 136 HA LYS 17 HA LYS 17 0.534 -7.513 -28.802 137 HB2 LYS 17 2HB LYS 17 -1.068 -5.805 -28.767 138 HB3 LYS 17 3HB LYS 17 -1.819 -7.064 -29.739 139 HG2 LYS 17 2HG LYS 17 -3.008 -7.812 -27.651 140 HG3 LYS 17 3HG LYS 17 -2.412 -6.339 -26.884 141 HD2 LYS 17 2HD LYS 17 -3.526 -5.003 -28.622 142 HD3 LYS 17 3HD LYS 17 -4.146 -6.486 -29.351 143 HE2 LYS 17 2HE LYS 17 -5.947 -6.059 -28.067 144 HE3 LYS 17 3HE LYS 17 -4.976 -6.811 -26.803 145 HZ1 LYS 17 1HZ LYS 17 -5.585 -3.974 -27.236 146 HZ2 LYS 17 2HZ LYS 17 -4.123 -4.385 -26.492 147 HZ3 LYS 17 3HZ LYS 17 -5.589 -4.868 -25.799 148 H CYS 18 H CYS 18 1.692 -7.100 -27.050 149 HA CYS 18 HA CYS 18 0.390 -7.152 -24.425 150 HB2 CYS 18 2HB CYS 18 3.134 -8.331 -24.751 151 HB3 CYS 18 3HB CYS 18 1.990 -8.543 -23.430 152 H GLN 19 H GLN 19 1.777 -6.121 -22.730 153 HA GLN 19 HA GLN 19 4.012 -4.559 -23.288 154 HB2 GLN 19 2HB GLN 19 3.071 -2.987 -24.616 155 HB3 GLN 19 3HB GLN 19 1.441 -3.358 -24.071 156 HG2 GLN 19 2HG GLN 19 1.843 -2.082 -22.021 157 HG3 GLN 19 3HG GLN 19 3.466 -1.695 -22.590 158 HE21 GLN 19 1HE2 GLN 19 2.814 0.522 -22.360 159 HE22 GLN 19 2HE2 GLN 19 1.900 1.284 -23.611 160 H ARG 20 H ARG 20 4.568 -3.093 -21.540 161 HA ARG 20 HA ARG 20 3.064 -3.689 -19.076 162 HB2 ARG 20 2HB ARG 20 4.958 -4.410 -18.144 163 HB3 ARG 20 3HB ARG 20 5.765 -4.207 -19.693 164 HG2 ARG 20 2HG ARG 20 6.422 -1.968 -19.117 165 HG3 ARG 20 3HG ARG 20 5.486 -2.040 -17.622 166 HD2 ARG 20 2HD ARG 20 6.997 -3.415 -16.582 167 HD3 ARG 20 3HD ARG 20 7.566 -4.114 -18.098 168 HE ARG 20 HE ARG 20 9.162 -2.484 -18.196 169 HH11 ARG 20 1HH1 ARG 20 6.674 -1.489 -15.973 170 HH12 ARG 20 2HH1 ARG 20 7.532 -0.081 -15.440 171 HH21 ARG 20 1HH2 ARG 20 10.301 -0.634 -17.502 172 HH22 ARG 20 2HH2 ARG 20 9.595 0.405 -16.311 173 H PHE 21 H PHE 21 2.303 -2.018 -17.945 174 HA PHE 21 HA PHE 21 2.927 0.676 -18.874 175 HB2 PHE 21 2HB PHE 21 0.804 -0.315 -16.960 176 HB3 PHE 21 3HB PHE 21 0.986 1.354 -17.491 177 HD1 PHE 21 HD1 PHE 21 1.357 -1.685 -19.569 178 HD2 PHE 21 HD2 PHE 21 -1.044 1.696 -18.609 179 HE1 PHE 21 HE1 PHE 21 -0.074 -2.153 -21.515 180 HE2 PHE 21 HE2 PHE 21 -2.479 1.233 -20.553 181 HZ PHE 21 HZ PHE 21 -1.996 -0.694 -22.009 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.615 1.330 -3.534 2 HA2 GLY 1 2HA GLY 1 1.001 2.437 -1.564 3 HA3 GLY 1 3HA GLY 1 1.416 0.993 -0.651 4 H SER 2 H SER 2 4.007 0.543 -1.370 5 HA SER 2 HA SER 2 5.383 3.016 -0.547 6 HB2 SER 2 2HB SER 2 6.801 0.627 0.263 7 HB3 SER 2 3HB SER 2 6.256 1.987 1.245 8 HG SER 2 HG SER 2 4.624 -0.185 0.419 9 H LYS 3 H LYS 3 6.234 -0.247 -1.713 10 HA LYS 3 HA LYS 3 8.011 1.033 -3.687 11 HB2 LYS 3 2HB LYS 3 8.359 -1.750 -2.579 12 HB3 LYS 3 3HB LYS 3 9.517 -0.802 -3.502 13 HG2 LYS 3 2HG LYS 3 9.690 0.775 -1.620 14 HG3 LYS 3 3HG LYS 3 8.586 -0.244 -0.693 15 HD2 LYS 3 2HD LYS 3 10.135 -1.991 -0.550 16 HD3 LYS 3 3HD LYS 3 11.109 -1.356 -1.879 17 HE2 LYS 3 2HE LYS 3 11.479 0.674 -0.323 18 HE3 LYS 3 3HE LYS 3 10.928 -0.405 0.957 19 HZ1 LYS 3 1HZ LYS 3 12.895 -1.635 -0.703 20 HZ2 LYS 3 2HZ LYS 3 12.876 -1.443 0.977 21 HZ3 LYS 3 3HZ LYS 3 13.477 -0.207 -0.008 22 H LYS 4 H LYS 4 8.331 -0.176 -5.698 23 HA LYS 4 HA LYS 4 5.932 -1.722 -6.436 24 HB2 LYS 4 2HB LYS 4 7.506 0.309 -8.013 25 HB3 LYS 4 3HB LYS 4 6.411 -0.831 -8.784 26 HG2 LYS 4 2HG LYS 4 5.144 0.530 -6.569 27 HG3 LYS 4 3HG LYS 4 5.772 1.664 -7.768 28 HD2 LYS 4 2HD LYS 4 4.241 1.069 -9.300 29 HD3 LYS 4 3HD LYS 4 4.390 -0.648 -8.918 30 HE2 LYS 4 2HE LYS 4 2.974 1.255 -7.080 31 HE3 LYS 4 3HE LYS 4 2.147 0.510 -8.447 32 HZ1 LYS 4 1HZ LYS 4 2.902 -1.675 -7.511 33 HZ2 LYS 4 2HZ LYS 4 1.747 -0.855 -6.586 34 HZ3 LYS 4 3HZ LYS 4 3.371 -0.845 -6.114 35 HA PRO 5 HA PRO 5 9.587 -4.488 -7.002 36 HB2 PRO 5 2HB PRO 5 8.315 -6.713 -6.108 37 HB3 PRO 5 3HB PRO 5 9.118 -5.567 -5.029 38 HG2 PRO 5 2HG PRO 5 6.212 -5.816 -5.704 39 HG3 PRO 5 3HG PRO 5 6.975 -5.540 -4.127 40 HD2 PRO 5 2HD PRO 5 5.863 -3.542 -5.577 41 HD3 PRO 5 3HD PRO 5 7.268 -3.288 -4.522 42 H VAL 6 H VAL 6 6.182 -4.867 -7.845 43 HA VAL 6 HA VAL 6 7.013 -6.087 -10.386 44 HB VAL 6 HB VAL 6 4.573 -7.004 -8.868 45 HG11 VAL 6 1HG1 VAL 6 5.889 -8.650 -10.943 46 HG12 VAL 6 2HG1 VAL 6 4.176 -8.438 -10.578 47 HG13 VAL 6 3HG1 VAL 6 5.042 -7.205 -11.495 48 HG21 VAL 6 1HG2 VAL 6 7.242 -8.396 -9.068 49 HG22 VAL 6 2HG2 VAL 6 6.635 -7.572 -7.632 50 HG23 VAL 6 3HG2 VAL 6 5.799 -8.996 -8.250 51 HA PRO 7 HA PRO 7 4.458 -2.618 -11.658 52 HB2 PRO 7 2HB PRO 7 5.134 -2.785 -14.282 53 HB3 PRO 7 3HB PRO 7 6.177 -2.036 -13.067 54 HG2 PRO 7 2HG PRO 7 6.314 -4.783 -14.248 55 HG3 PRO 7 3HG PRO 7 7.630 -3.642 -13.914 56 HD2 PRO 7 2HD PRO 7 7.059 -5.724 -12.280 57 HD3 PRO 7 3HD PRO 7 7.701 -4.184 -11.675 58 H ILE 8 H ILE 8 3.109 -2.471 -13.915 59 HA ILE 8 HA ILE 8 1.426 -4.889 -13.948 60 HB ILE 8 HB ILE 8 -0.320 -3.191 -14.881 61 HG12 ILE 8 2HG1 ILE 8 1.157 -1.247 -13.150 62 HG13 ILE 8 3HG1 ILE 8 1.619 -1.410 -14.840 63 HG21 ILE 8 1HG2 ILE 8 0.513 -3.334 -11.990 64 HG22 ILE 8 2HG2 ILE 8 -1.015 -2.651 -12.544 65 HG23 ILE 8 3HG2 ILE 8 -0.659 -4.356 -12.822 66 HD11 ILE 8 1HD1 ILE 8 -0.692 -0.893 -15.493 67 HD12 ILE 8 2HD1 ILE 8 -1.099 -0.663 -13.792 68 HD13 ILE 8 3HD1 ILE 8 0.065 0.407 -14.574 69 H ILE 9 H ILE 9 1.374 -5.995 -15.782 70 HA ILE 9 HA ILE 9 1.726 -4.583 -18.326 71 HB ILE 9 HB ILE 9 3.660 -5.544 -18.842 72 HG12 ILE 9 2HG1 ILE 9 3.904 -8.113 -18.577 73 HG13 ILE 9 3HG1 ILE 9 2.202 -8.076 -18.127 74 HG21 ILE 9 1HG2 ILE 9 4.081 -5.206 -16.431 75 HG22 ILE 9 2HG2 ILE 9 3.575 -6.868 -16.135 76 HG23 ILE 9 3HG2 ILE 9 5.010 -6.543 -17.107 77 HD11 ILE 9 1HD1 ILE 9 3.437 -7.902 -20.736 78 HD12 ILE 9 2HD1 ILE 9 1.769 -8.263 -20.292 79 HD13 ILE 9 3HD1 ILE 9 2.297 -6.588 -20.447 80 H TYR 10 H TYR 10 0.532 -5.378 -19.996 81 HA TYR 10 HA TYR 10 -1.176 -7.701 -19.390 82 HB2 TYR 10 2HB TYR 10 -2.974 -6.670 -20.392 83 HB3 TYR 10 3HB TYR 10 -2.131 -5.264 -19.750 84 HD1 TYR 10 HD1 TYR 10 -0.771 -3.842 -21.276 85 HD2 TYR 10 HD2 TYR 10 -3.237 -6.988 -22.735 86 HE1 TYR 10 HE1 TYR 10 -0.665 -2.871 -23.533 87 HE2 TYR 10 HE2 TYR 10 -3.137 -6.025 -24.997 88 HH TYR 10 HH TYR 10 -2.694 -3.478 -25.893 89 H CYS 11 H CYS 11 -1.663 -9.163 -21.072 90 HA CYS 11 HA CYS 11 -0.212 -8.915 -23.582 91 HB2 CYS 11 2HB CYS 11 1.294 -10.058 -21.872 92 HB3 CYS 11 3HB CYS 11 0.148 -11.394 -21.902 93 H ASN 12 H ASN 12 -1.508 -9.519 -25.180 94 HA ASN 12 HA ASN 12 -3.684 -11.412 -24.578 95 HB2 ASN 12 2HB ASN 12 -3.700 -8.809 -25.834 96 HB3 ASN 12 3HB ASN 12 -4.338 -10.028 -26.934 97 HD21 ASN 12 1HD2 ASN 12 -5.136 -7.893 -24.579 98 HD22 ASN 12 2HD2 ASN 12 -6.620 -8.594 -24.040 99 H ARG 13 H ARG 13 -2.433 -13.236 -25.119 100 HA ARG 13 HA ARG 13 -0.967 -13.558 -27.483 101 HB2 ARG 13 2HB ARG 13 -2.129 -15.370 -25.439 102 HB3 ARG 13 3HB ARG 13 -1.702 -16.091 -26.985 103 HG2 ARG 13 2HG ARG 13 0.422 -16.177 -26.382 104 HG3 ARG 13 3HG ARG 13 0.447 -14.430 -26.139 105 HD2 ARG 13 2HD ARG 13 0.907 -14.996 -24.007 106 HD3 ARG 13 3HD ARG 13 -0.840 -15.210 -23.902 107 HE ARG 13 HE ARG 13 0.241 -17.621 -24.766 108 HH11 ARG 13 1HH1 ARG 13 0.356 -15.573 -21.953 109 HH12 ARG 13 2HH1 ARG 13 0.631 -16.882 -20.851 110 HH21 ARG 13 1HH2 ARG 13 0.602 -19.352 -23.326 111 HH22 ARG 13 2HH2 ARG 13 0.772 -19.031 -21.633 112 H ARG 14 H ARG 14 -4.321 -13.366 -26.993 113 HA ARG 14 HA ARG 14 -5.197 -15.028 -29.129 114 HB2 ARG 14 2HB ARG 14 -6.530 -12.750 -27.661 115 HB3 ARG 14 3HB ARG 14 -7.337 -13.713 -28.892 116 HG2 ARG 14 2HG ARG 14 -7.714 -15.396 -27.481 117 HG3 ARG 14 3HG ARG 14 -6.077 -15.330 -26.826 118 HD2 ARG 14 2HD ARG 14 -6.725 -13.418 -25.431 119 HD3 ARG 14 3HD ARG 14 -8.363 -13.511 -26.077 120 HE ARG 14 HE ARG 14 -7.610 -15.995 -24.961 121 HH11 ARG 14 1HH1 ARG 14 -8.534 -12.762 -24.060 122 HH12 ARG 14 2HH1 ARG 14 -9.200 -13.238 -22.533 123 HH21 ARG 14 1HH2 ARG 14 -8.484 -16.635 -22.954 124 HH22 ARG 14 2HH2 ARG 14 -9.170 -15.441 -21.904 125 H THR 15 H THR 15 -4.557 -11.556 -28.831 126 HA THR 15 HA THR 15 -4.820 -11.318 -31.756 127 HB THR 15 HB THR 15 -6.364 -9.834 -30.692 128 HG1 THR 15 HG1 THR 15 -4.165 -8.154 -31.304 129 HG21 THR 15 1HG2 THR 15 -5.533 -9.692 -28.468 130 HG22 THR 15 2HG2 THR 15 -5.504 -8.053 -29.118 131 HG23 THR 15 3HG2 THR 15 -4.011 -8.985 -29.011 132 H GLY 16 H GLY 16 -2.498 -11.918 -29.663 133 HA2 GLY 16 2HA GLY 16 -0.232 -11.559 -29.578 134 HA3 GLY 16 3HA GLY 16 -0.374 -11.153 -31.282 135 H LYS 17 H LYS 17 -0.900 -9.753 -28.054 136 HA LYS 17 HA LYS 17 0.594 -7.404 -28.771 137 HB2 LYS 17 2HB LYS 17 -1.102 -5.789 -28.684 138 HB3 LYS 17 3HB LYS 17 -1.788 -7.070 -29.675 139 HG2 LYS 17 2HG LYS 17 -2.900 -7.927 -27.577 140 HG3 LYS 17 3HG LYS 17 -2.403 -6.418 -26.808 141 HD2 LYS 17 2HD LYS 17 -3.963 -6.464 -29.378 142 HD3 LYS 17 3HD LYS 17 -4.754 -6.507 -27.800 143 HE2 LYS 17 2HE LYS 17 -4.542 -4.305 -27.610 144 HE3 LYS 17 3HE LYS 17 -2.793 -4.437 -27.790 145 HZ1 LYS 17 1HZ LYS 17 -3.486 -4.669 -30.309 146 HZ2 LYS 17 2HZ LYS 17 -3.261 -3.157 -29.584 147 HZ3 LYS 17 3HZ LYS 17 -4.823 -3.776 -29.783 148 H CYS 18 H CYS 18 1.756 -6.964 -27.029 149 HA CYS 18 HA CYS 18 0.494 -7.106 -24.389 150 HB2 CYS 18 2HB CYS 18 3.285 -8.151 -24.748 151 HB3 CYS 18 3HB CYS 18 2.153 -8.445 -23.432 152 H GLN 19 H GLN 19 1.825 -6.014 -22.703 153 HA GLN 19 HA GLN 19 3.994 -4.360 -23.252 154 HB2 GLN 19 2HB GLN 19 2.978 -2.842 -24.594 155 HB3 GLN 19 3HB GLN 19 1.369 -3.255 -24.018 156 HG2 GLN 19 2HG GLN 19 1.695 -1.922 -22.033 157 HG3 GLN 19 3HG GLN 19 3.357 -1.576 -22.508 158 HE21 GLN 19 1HE2 GLN 19 0.441 -1.634 -24.494 159 HE22 GLN 19 2HE2 GLN 19 0.511 0.027 -24.964 160 H ARG 20 H ARG 20 4.497 -2.894 -21.497 161 HA ARG 20 HA ARG 20 3.017 -3.561 -19.037 162 HB2 ARG 20 2HB ARG 20 4.948 -4.181 -18.110 163 HB3 ARG 20 3HB ARG 20 5.743 -3.924 -19.657 164 HG2 ARG 20 2HG ARG 20 6.274 -1.657 -19.069 165 HG3 ARG 20 3HG ARG 20 5.342 -1.787 -17.576 166 HD2 ARG 20 2HD ARG 20 6.973 -2.920 -16.504 167 HD3 ARG 20 3HD ARG 20 7.434 -3.824 -17.946 168 HE ARG 20 HE ARG 20 8.667 -1.471 -16.959 169 HH11 ARG 20 1HH1 ARG 20 7.778 -3.084 -19.913 170 HH12 ARG 20 2HH1 ARG 20 9.038 -2.347 -20.848 171 HH21 ARG 20 1HH2 ARG 20 10.329 -0.495 -18.178 172 HH22 ARG 20 2HH2 ARG 20 10.489 -0.876 -19.859 173 H PHE 21 H PHE 21 2.168 -1.937 -17.899 174 HA PHE 21 HA PHE 21 2.636 0.789 -18.824 175 HB2 PHE 21 2HB PHE 21 0.586 -0.323 -16.897 176 HB3 PHE 21 3HB PHE 21 0.669 1.354 -17.427 177 HD1 PHE 21 HD1 PHE 21 -1.391 1.574 -18.522 178 HD2 PHE 21 HD2 PHE 21 1.203 -1.650 -19.518 179 HE1 PHE 21 HE1 PHE 21 -2.813 1.033 -20.456 180 HE2 PHE 21 HE2 PHE 21 -0.214 -2.196 -21.454 181 HZ PHE 21 HZ PHE 21 -2.224 -0.854 -21.925 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.099 3.331 -0.440 2 HA2 GLY 1 2HA GLY 1 1.433 0.952 0.437 3 HA3 GLY 1 3HA GLY 1 2.034 0.635 -1.184 4 H SER 2 H SER 2 4.160 0.359 -1.048 5 HA SER 2 HA SER 2 5.726 2.416 0.358 6 HB2 SER 2 2HB SER 2 7.365 0.418 0.795 7 HB3 SER 2 3HB SER 2 5.978 0.656 1.857 8 HG SER 2 HG SER 2 5.317 -1.238 1.275 9 H LYS 3 H LYS 3 6.407 -0.460 -1.635 10 HA LYS 3 HA LYS 3 7.781 1.291 -3.558 11 HB2 LYS 3 2HB LYS 3 8.812 -1.425 -2.740 12 HB3 LYS 3 3HB LYS 3 9.617 -0.232 -3.752 13 HG2 LYS 3 2HG LYS 3 9.278 1.204 -1.497 14 HG3 LYS 3 3HG LYS 3 9.435 -0.421 -0.824 15 HD2 LYS 3 2HD LYS 3 11.611 -0.593 -1.410 16 HD3 LYS 3 3HD LYS 3 11.381 0.288 -2.922 17 HE2 LYS 3 2HE LYS 3 11.078 1.860 -0.444 18 HE3 LYS 3 3HE LYS 3 12.704 1.276 -0.792 19 HZ1 LYS 3 1HZ LYS 3 12.936 2.733 -2.441 20 HZ2 LYS 3 2HZ LYS 3 11.573 3.519 -1.820 21 HZ3 LYS 3 3HZ LYS 3 11.405 2.408 -3.085 22 H LYS 4 H LYS 4 8.280 0.022 -5.636 23 HA LYS 4 HA LYS 4 5.905 -1.583 -6.315 24 HB2 LYS 4 2HB LYS 4 7.529 0.381 -7.908 25 HB3 LYS 4 3HB LYS 4 6.539 -0.831 -8.711 26 HG2 LYS 4 2HG LYS 4 4.566 0.116 -8.011 27 HG3 LYS 4 3HG LYS 4 5.314 0.903 -6.619 28 HD2 LYS 4 2HD LYS 4 6.627 2.067 -8.719 29 HD3 LYS 4 3HD LYS 4 5.003 1.843 -9.374 30 HE2 LYS 4 2HE LYS 4 5.321 2.983 -6.637 31 HE3 LYS 4 3HE LYS 4 5.638 4.013 -8.033 32 HZ1 LYS 4 1HZ LYS 4 3.299 2.864 -8.693 33 HZ2 LYS 4 2HZ LYS 4 3.448 4.379 -7.957 34 HZ3 LYS 4 3HZ LYS 4 3.131 3.010 -7.016 35 HA PRO 5 HA PRO 5 9.497 -4.466 -6.657 36 HB2 PRO 5 2HB PRO 5 8.150 -6.608 -5.674 37 HB3 PRO 5 3HB PRO 5 8.962 -5.427 -4.640 38 HG2 PRO 5 2HG PRO 5 6.064 -5.638 -5.361 39 HG3 PRO 5 3HG PRO 5 6.803 -5.298 -3.786 40 HD2 PRO 5 2HD PRO 5 5.772 -3.352 -5.362 41 HD3 PRO 5 3HD PRO 5 7.162 -3.078 -4.293 42 H VAL 6 H VAL 6 6.094 -4.837 -7.530 43 HA VAL 6 HA VAL 6 6.942 -6.183 -10.001 44 HB VAL 6 HB VAL 6 4.477 -7.006 -8.469 45 HG11 VAL 6 1HG1 VAL 6 5.788 -8.773 -10.438 46 HG12 VAL 6 2HG1 VAL 6 4.074 -8.496 -10.122 47 HG13 VAL 6 3HG1 VAL 6 4.994 -7.337 -11.082 48 HG21 VAL 6 1HG2 VAL 6 6.519 -7.533 -7.186 49 HG22 VAL 6 2HG2 VAL 6 5.677 -8.978 -7.744 50 HG23 VAL 6 3HG2 VAL 6 7.134 -8.431 -8.573 51 HA PRO 7 HA PRO 7 4.435 -2.755 -11.465 52 HB2 PRO 7 2HB PRO 7 5.138 -3.053 -14.070 53 HB3 PRO 7 3HB PRO 7 6.175 -2.257 -12.880 54 HG2 PRO 7 2HG PRO 7 6.299 -5.058 -13.928 55 HG3 PRO 7 3HG PRO 7 7.621 -3.914 -13.634 56 HD2 PRO 7 2HD PRO 7 7.012 -5.911 -11.909 57 HD3 PRO 7 3HD PRO 7 7.663 -4.350 -11.371 58 H ILE 8 H ILE 8 3.047 -2.661 -13.653 59 HA ILE 8 HA ILE 8 1.396 -5.102 -13.660 60 HB ILE 8 HB ILE 8 -0.384 -3.424 -14.571 61 HG12 ILE 8 2HG1 ILE 8 1.077 -1.466 -12.845 62 HG13 ILE 8 3HG1 ILE 8 1.542 -1.621 -14.535 63 HG21 ILE 8 1HG2 ILE 8 -1.060 -2.904 -12.224 64 HG22 ILE 8 2HG2 ILE 8 -0.684 -4.602 -12.514 65 HG23 ILE 8 3HG2 ILE 8 0.484 -3.568 -11.690 66 HD11 ILE 8 1HD1 ILE 8 -0.798 -1.155 -15.173 67 HD12 ILE 8 2HD1 ILE 8 -1.171 -0.883 -13.470 68 HD13 ILE 8 3HD1 ILE 8 -0.028 0.171 -14.302 69 H ILE 9 H ILE 9 1.342 -6.212 -15.492 70 HA ILE 9 HA ILE 9 1.614 -4.798 -18.043 71 HB ILE 9 HB ILE 9 3.551 -5.721 -18.622 72 HG12 ILE 9 2HG1 ILE 9 3.906 -8.270 -18.254 73 HG13 ILE 9 3HG1 ILE 9 2.214 -8.274 -17.770 74 HG21 ILE 9 1HG2 ILE 9 3.626 -6.960 -15.875 75 HG22 ILE 9 2HG2 ILE 9 5.004 -6.573 -16.904 76 HG23 ILE 9 3HG2 ILE 9 4.019 -5.277 -16.227 77 HD11 ILE 9 1HD1 ILE 9 3.384 -8.184 -20.407 78 HD12 ILE 9 2HD1 ILE 9 1.730 -8.549 -19.913 79 HD13 ILE 9 3HD1 ILE 9 2.229 -6.875 -20.155 80 H TYR 10 H TYR 10 0.453 -5.663 -19.712 81 HA TYR 10 HA TYR 10 -1.195 -8.017 -19.057 82 HB2 TYR 10 2HB TYR 10 -3.022 -7.054 -20.084 83 HB3 TYR 10 3HB TYR 10 -2.225 -5.622 -19.442 84 HD1 TYR 10 HD1 TYR 10 -3.238 -7.402 -22.434 85 HD2 TYR 10 HD2 TYR 10 -0.923 -4.150 -20.961 86 HE1 TYR 10 HE1 TYR 10 -3.155 -6.444 -24.697 87 HE2 TYR 10 HE2 TYR 10 -0.835 -3.182 -23.220 88 HH TYR 10 HH TYR 10 -2.631 -4.608 -25.902 89 H CYS 11 H CYS 11 -1.633 -9.530 -20.697 90 HA CYS 11 HA CYS 11 -0.238 -9.283 -23.235 91 HB2 CYS 11 2HB CYS 11 1.317 -10.327 -21.456 92 HB3 CYS 11 3HB CYS 11 0.273 -11.740 -21.575 93 H ASN 12 H ASN 12 -1.606 -9.914 -24.755 94 HA ASN 12 HA ASN 12 -3.615 -11.961 -24.078 95 HB2 ASN 12 2HB ASN 12 -3.826 -9.776 -26.162 96 HB3 ASN 12 3HB ASN 12 -5.084 -10.931 -25.729 97 HD21 ASN 12 1HD2 ASN 12 -5.509 -10.942 -23.261 98 HD22 ASN 12 2HD2 ASN 12 -5.721 -9.381 -22.553 99 H ARG 13 H ARG 13 -2.315 -13.708 -24.703 100 HA ARG 13 HA ARG 13 -0.895 -13.930 -27.096 101 HB2 ARG 13 2HB ARG 13 -1.914 -15.789 -25.044 102 HB3 ARG 13 3HB ARG 13 -1.632 -16.504 -26.626 103 HG2 ARG 13 2HG ARG 13 0.660 -15.927 -26.582 104 HG3 ARG 13 3HG ARG 13 0.438 -14.872 -25.185 105 HD2 ARG 13 2HD ARG 13 -0.203 -16.866 -23.852 106 HD3 ARG 13 3HD ARG 13 0.176 -17.875 -25.247 107 HE ARG 13 HE ARG 13 2.382 -16.231 -24.584 108 HH11 ARG 13 1HH1 ARG 13 0.651 -19.059 -23.521 109 HH12 ARG 13 2HH1 ARG 13 2.029 -19.772 -22.750 110 HH21 ARG 13 1HH2 ARG 13 4.203 -17.160 -23.572 111 HH22 ARG 13 2HH2 ARG 13 4.048 -18.691 -22.779 112 H ARG 14 H ARG 14 -4.258 -13.916 -26.534 113 HA ARG 14 HA ARG 14 -5.028 -15.472 -28.815 114 HB2 ARG 14 2HB ARG 14 -6.662 -15.427 -27.153 115 HB3 ARG 14 3HB ARG 14 -6.469 -13.702 -26.872 116 HG2 ARG 14 2HG ARG 14 -7.401 -14.416 -29.561 117 HG3 ARG 14 3HG ARG 14 -8.511 -14.818 -28.248 118 HD2 ARG 14 2HD ARG 14 -7.438 -12.207 -27.808 119 HD3 ARG 14 3HD ARG 14 -8.063 -12.304 -29.454 120 HE ARG 14 HE ARG 14 -9.588 -12.206 -27.062 121 HH11 ARG 14 1HH1 ARG 14 -9.528 -13.605 -30.250 122 HH12 ARG 14 2HH1 ARG 14 -11.251 -13.757 -30.357 123 HH21 ARG 14 1HH2 ARG 14 -11.857 -12.401 -27.192 124 HH22 ARG 14 2HH2 ARG 14 -12.574 -13.071 -28.618 125 H THR 15 H THR 15 -5.212 -11.986 -28.078 126 HA THR 15 HA THR 15 -5.588 -11.407 -30.911 127 HB THR 15 HB THR 15 -7.035 -10.182 -29.435 128 HG1 THR 15 HG1 THR 15 -6.083 -7.953 -29.886 129 HG21 THR 15 1HG2 THR 15 -5.929 -10.198 -27.354 130 HG22 THR 15 2HG2 THR 15 -5.970 -8.501 -27.833 131 HG23 THR 15 3HG2 THR 15 -4.487 -9.435 -28.023 132 H GLY 16 H GLY 16 -2.986 -12.148 -29.244 133 HA2 GLY 16 2HA GLY 16 -0.750 -11.617 -29.329 134 HA3 GLY 16 3HA GLY 16 -1.108 -11.120 -30.977 135 H LYS 17 H LYS 17 -1.412 -9.931 -27.633 136 HA LYS 17 HA LYS 17 -0.140 -7.446 -28.381 137 HB2 LYS 17 2HB LYS 17 -3.040 -7.573 -27.569 138 HB3 LYS 17 3HB LYS 17 -2.075 -6.116 -27.362 139 HG2 LYS 17 2HG LYS 17 -1.611 -6.134 -29.795 140 HG3 LYS 17 3HG LYS 17 -2.702 -7.513 -29.955 141 HD2 LYS 17 2HD LYS 17 -4.222 -5.890 -30.372 142 HD3 LYS 17 3HD LYS 17 -4.300 -5.822 -28.610 143 HE2 LYS 17 2HE LYS 17 -3.883 -3.634 -28.902 144 HE3 LYS 17 3HE LYS 17 -2.213 -4.159 -29.112 145 HZ1 LYS 17 1HZ LYS 17 -3.103 -4.449 -31.585 146 HZ2 LYS 17 2HZ LYS 17 -2.437 -3.002 -31.019 147 HZ3 LYS 17 3HZ LYS 17 -4.117 -3.189 -31.088 148 H CYS 18 H CYS 18 1.282 -7.126 -26.814 149 HA CYS 18 HA CYS 18 0.432 -7.495 -24.029 150 HB2 CYS 18 2HB CYS 18 3.146 -8.376 -25.014 151 HB3 CYS 18 3HB CYS 18 2.423 -8.668 -23.436 152 H GLN 19 H GLN 19 1.715 -6.303 -22.480 153 HA GLN 19 HA GLN 19 3.785 -4.551 -23.097 154 HB2 GLN 19 2HB GLN 19 2.663 -3.059 -24.379 155 HB3 GLN 19 3HB GLN 19 1.092 -3.561 -23.769 156 HG2 GLN 19 2HG GLN 19 1.483 -2.269 -21.724 157 HG3 GLN 19 3HG GLN 19 3.040 -1.747 -22.365 158 HE21 GLN 19 1HE2 GLN 19 3.113 -0.206 -23.965 159 HE22 GLN 19 2HE2 GLN 19 1.734 0.721 -24.438 160 H ARG 20 H ARG 20 4.266 -3.044 -21.355 161 HA ARG 20 HA ARG 20 2.910 -3.791 -18.847 162 HB2 ARG 20 2HB ARG 20 4.889 -4.353 -17.986 163 HB3 ARG 20 3HB ARG 20 5.620 -4.076 -19.561 164 HG2 ARG 20 2HG ARG 20 6.108 -1.792 -18.991 165 HG3 ARG 20 3HG ARG 20 5.239 -1.952 -17.464 166 HD2 ARG 20 2HD ARG 20 7.239 -2.433 -16.584 167 HD3 ARG 20 3HD ARG 20 7.028 -4.016 -17.332 168 HE ARG 20 HE ARG 20 8.183 -2.184 -19.161 169 HH11 ARG 20 1HH1 ARG 20 8.922 -4.120 -16.363 170 HH12 ARG 20 2HH1 ARG 20 10.602 -4.280 -16.755 171 HH21 ARG 20 1HH2 ARG 20 10.393 -2.387 -19.688 172 HH22 ARG 20 2HH2 ARG 20 11.438 -3.293 -18.646 173 H PHE 21 H PHE 21 2.053 -2.198 -17.670 174 HA PHE 21 HA PHE 21 2.422 0.547 -18.589 175 HB2 PHE 21 2HB PHE 21 0.442 -0.634 -16.630 176 HB3 PHE 21 3HB PHE 21 0.472 1.049 -17.146 177 HD1 PHE 21 HD1 PHE 21 -1.611 1.231 -18.201 178 HD2 PHE 21 HD2 PHE 21 1.033 -1.928 -19.270 179 HE1 PHE 21 HE1 PHE 21 -3.059 0.670 -20.110 180 HE2 PHE 21 HE2 PHE 21 -0.410 -2.494 -21.181 181 HZ PHE 21 HZ PHE 21 -2.458 -1.194 -21.604 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.802 0.148 -1.279 2 HA2 GLY 1 2HA GLY 1 1.794 1.435 -3.020 3 HA3 GLY 1 3HA GLY 1 0.976 2.617 -2.009 4 H SER 2 H SER 2 3.898 0.832 -1.170 5 HA SER 2 HA SER 2 5.306 3.405 -0.970 6 HB2 SER 2 2HB SER 2 5.218 2.228 1.137 7 HB3 SER 2 3HB SER 2 5.818 0.749 0.387 8 HG SER 2 HG SER 2 7.685 1.506 1.004 9 H LYS 3 H LYS 3 6.235 0.012 -1.566 10 HA LYS 3 HA LYS 3 8.183 0.978 -3.542 11 HB2 LYS 3 2HB LYS 3 8.208 -1.125 -1.535 12 HB3 LYS 3 3HB LYS 3 8.656 -1.735 -3.123 13 HG2 LYS 3 2HG LYS 3 10.041 0.693 -2.755 14 HG3 LYS 3 3HG LYS 3 10.216 -0.240 -1.267 15 HD2 LYS 3 2HD LYS 3 11.418 -1.882 -2.278 16 HD3 LYS 3 3HD LYS 3 10.567 -1.708 -3.815 17 HE2 LYS 3 2HE LYS 3 12.708 -0.933 -4.292 18 HE3 LYS 3 3HE LYS 3 11.796 0.546 -3.995 19 HZ1 LYS 3 1HZ LYS 3 13.084 1.045 -2.274 20 HZ2 LYS 3 2HZ LYS 3 14.127 -0.189 -2.775 21 HZ3 LYS 3 3HZ LYS 3 12.949 -0.502 -1.603 22 H LYS 4 H LYS 4 8.530 -0.407 -5.460 23 HA LYS 4 HA LYS 4 6.055 -1.745 -6.331 24 HB2 LYS 4 2HB LYS 4 7.718 0.295 -7.785 25 HB3 LYS 4 3HB LYS 4 6.710 -0.846 -8.664 26 HG2 LYS 4 2HG LYS 4 4.729 0.004 -7.645 27 HG3 LYS 4 3HG LYS 4 5.667 1.000 -6.529 28 HD2 LYS 4 2HD LYS 4 6.475 2.358 -8.358 29 HD3 LYS 4 3HD LYS 4 5.671 1.311 -9.531 30 HE2 LYS 4 2HE LYS 4 3.937 2.706 -9.395 31 HE3 LYS 4 3HE LYS 4 3.645 2.030 -7.794 32 HZ1 LYS 4 1HZ LYS 4 4.227 4.646 -8.392 33 HZ2 LYS 4 2HZ LYS 4 5.653 4.041 -7.712 34 HZ3 LYS 4 3HZ LYS 4 4.199 3.944 -6.853 35 HA PRO 5 HA PRO 5 9.632 -4.627 -6.815 36 HB2 PRO 5 2HB PRO 5 8.259 -6.817 -5.988 37 HB3 PRO 5 3HB PRO 5 9.065 -5.711 -4.870 38 HG2 PRO 5 2HG PRO 5 6.175 -5.854 -5.638 39 HG3 PRO 5 3HG PRO 5 6.897 -5.621 -4.035 40 HD2 PRO 5 2HD PRO 5 5.898 -3.571 -5.495 41 HD3 PRO 5 3HD PRO 5 7.277 -3.376 -4.394 42 H VAL 6 H VAL 6 6.217 -5.065 -7.674 43 HA VAL 6 HA VAL 6 7.081 -6.129 -10.273 44 HB VAL 6 HB VAL 6 4.717 -7.245 -8.770 45 HG11 VAL 6 1HG1 VAL 6 6.062 -8.778 -10.891 46 HG12 VAL 6 2HG1 VAL 6 4.343 -8.567 -10.556 47 HG13 VAL 6 3HG1 VAL 6 5.234 -7.315 -11.423 48 HG21 VAL 6 1HG2 VAL 6 7.456 -8.475 -9.057 49 HG22 VAL 6 2HG2 VAL 6 6.823 -7.746 -7.581 50 HG23 VAL 6 3HG2 VAL 6 6.060 -9.189 -8.249 51 HA PRO 7 HA PRO 7 4.321 -2.759 -11.369 52 HB2 PRO 7 2HB PRO 7 4.971 -2.777 -14.005 53 HB3 PRO 7 3HB PRO 7 5.986 -2.023 -12.771 54 HG2 PRO 7 2HG PRO 7 6.261 -4.706 -14.068 55 HG3 PRO 7 3HG PRO 7 7.515 -3.507 -13.701 56 HD2 PRO 7 2HD PRO 7 7.082 -5.685 -12.150 57 HD3 PRO 7 3HD PRO 7 7.646 -4.138 -11.487 58 H ILE 8 H ILE 8 2.942 -2.596 -13.611 59 HA ILE 8 HA ILE 8 1.389 -5.099 -13.720 60 HB ILE 8 HB ILE 8 -0.460 -3.479 -14.566 61 HG12 ILE 8 2HG1 ILE 8 1.304 -1.570 -13.016 62 HG13 ILE 8 3HG1 ILE 8 1.030 -1.516 -14.753 63 HG21 ILE 8 1HG2 ILE 8 -1.279 -3.205 -12.323 64 HG22 ILE 8 2HG2 ILE 8 -0.460 -4.761 -12.444 65 HG23 ILE 8 3HG2 ILE 8 0.345 -3.401 -11.663 66 HD11 ILE 8 1HD1 ILE 8 -1.242 -0.922 -14.459 67 HD12 ILE 8 2HD1 ILE 8 -1.171 -1.255 -12.728 68 HD13 ILE 8 3HD1 ILE 8 -0.291 0.118 -13.399 69 H ILE 9 H ILE 9 1.364 -6.136 -15.596 70 HA ILE 9 HA ILE 9 1.660 -4.610 -18.084 71 HB ILE 9 HB ILE 9 3.676 -5.441 -18.499 72 HG12 ILE 9 2HG1 ILE 9 3.885 -7.982 -18.791 73 HG13 ILE 9 3HG1 ILE 9 2.182 -8.056 -18.351 74 HG21 ILE 9 1HG2 ILE 9 4.843 -6.914 -16.914 75 HG22 ILE 9 2HG2 ILE 9 4.042 -5.568 -16.107 76 HG23 ILE 9 3HG2 ILE 9 3.323 -7.177 -16.060 77 HD11 ILE 9 1HD1 ILE 9 1.801 -7.847 -20.531 78 HD12 ILE 9 2HD1 ILE 9 2.204 -6.144 -20.306 79 HD13 ILE 9 3HD1 ILE 9 3.439 -7.278 -20.855 80 H TYR 10 H TYR 10 0.381 -5.284 -19.718 81 HA TYR 10 HA TYR 10 -1.201 -7.727 -19.261 82 HB2 TYR 10 2HB TYR 10 -3.096 -6.686 -20.036 83 HB3 TYR 10 3HB TYR 10 -2.268 -5.303 -19.328 84 HD1 TYR 10 HD1 TYR 10 -3.518 -6.805 -22.372 85 HD2 TYR 10 HD2 TYR 10 -1.054 -3.707 -20.813 86 HE1 TYR 10 HE1 TYR 10 -3.608 -5.650 -24.541 87 HE2 TYR 10 HE2 TYR 10 -1.138 -2.542 -22.977 88 HH TYR 10 HH TYR 10 -1.954 -2.544 -25.038 89 H CYS 11 H CYS 11 -1.718 -9.033 -21.058 90 HA CYS 11 HA CYS 11 -0.369 -8.468 -23.583 91 HB2 CYS 11 2HB CYS 11 1.193 -9.790 -22.083 92 HB3 CYS 11 3HB CYS 11 0.037 -11.114 -22.187 93 H ASN 12 H ASN 12 -1.502 -9.148 -25.308 94 HA ASN 12 HA ASN 12 -3.901 -10.767 -24.784 95 HB2 ASN 12 2HB ASN 12 -3.448 -8.353 -26.302 96 HB3 ASN 12 3HB ASN 12 -4.108 -9.613 -27.341 97 HD21 ASN 12 1HD2 ASN 12 -4.962 -7.086 -25.546 98 HD22 ASN 12 2HD2 ASN 12 -6.545 -7.565 -25.048 99 H ARG 13 H ARG 13 -2.889 -12.787 -24.978 100 HA ARG 13 HA ARG 13 -1.202 -13.598 -27.043 101 HB2 ARG 13 2HB ARG 13 -2.845 -14.914 -24.994 102 HB3 ARG 13 3HB ARG 13 -2.568 -15.890 -26.430 103 HG2 ARG 13 2HG ARG 13 -0.141 -15.539 -26.162 104 HG3 ARG 13 3HG ARG 13 -0.463 -14.650 -24.672 105 HD2 ARG 13 2HD ARG 13 -1.697 -16.739 -23.890 106 HD3 ARG 13 3HD ARG 13 -0.937 -17.559 -25.253 107 HE ARG 13 HE ARG 13 1.110 -16.315 -23.903 108 HH11 ARG 13 1HH1 ARG 13 -1.330 -18.684 -23.156 109 HH12 ARG 13 2HH1 ARG 13 -0.364 -19.494 -21.967 110 HH21 ARG 13 1HH2 ARG 13 2.390 -17.374 -22.340 111 HH22 ARG 13 2HH2 ARG 13 1.751 -18.747 -21.503 112 H ARG 14 H ARG 14 -4.517 -12.848 -27.121 113 HA ARG 14 HA ARG 14 -5.325 -14.566 -29.239 114 HB2 ARG 14 2HB ARG 14 -6.466 -11.988 -28.162 115 HB3 ARG 14 3HB ARG 14 -7.223 -12.903 -29.459 116 HG2 ARG 14 2HG ARG 14 -6.680 -13.937 -26.683 117 HG3 ARG 14 3HG ARG 14 -8.238 -13.363 -27.281 118 HD2 ARG 14 2HD ARG 14 -7.702 -15.160 -29.179 119 HD3 ARG 14 3HD ARG 14 -6.784 -15.880 -27.856 120 HE ARG 14 HE ARG 14 -9.646 -15.733 -28.106 121 HH11 ARG 14 1HH1 ARG 14 -6.970 -16.054 -25.902 122 HH12 ARG 14 2HH1 ARG 14 -7.907 -16.839 -24.674 123 HH21 ARG 14 1HH2 ARG 14 -10.890 -16.764 -26.497 124 HH22 ARG 14 2HH2 ARG 14 -10.136 -17.243 -25.013 125 H THR 15 H THR 15 -3.792 -11.434 -29.081 126 HA THR 15 HA THR 15 -3.610 -11.434 -32.020 127 HB THR 15 HB THR 15 -5.179 -9.699 -31.492 128 HG1 THR 15 HG1 THR 15 -2.701 -8.352 -31.824 129 HG21 THR 15 1HG2 THR 15 -4.473 -7.797 -29.991 130 HG22 THR 15 2HG2 THR 15 -3.136 -8.817 -29.459 131 HG23 THR 15 3HG2 THR 15 -4.801 -9.323 -29.173 132 H GLY 16 H GLY 16 -1.891 -11.954 -29.393 133 HA2 GLY 16 2HA GLY 16 0.321 -11.760 -28.806 134 HA3 GLY 16 3HA GLY 16 0.611 -11.613 -30.533 135 H LYS 17 H LYS 17 -0.328 -9.733 -27.675 136 HA LYS 17 HA LYS 17 1.502 -7.640 -28.368 137 HB2 LYS 17 2HB LYS 17 0.025 -5.894 -28.858 138 HB3 LYS 17 3HB LYS 17 -0.617 -7.248 -29.779 139 HG2 LYS 17 2HG LYS 17 -2.211 -7.656 -27.887 140 HG3 LYS 17 3HG LYS 17 -1.658 -6.132 -27.188 141 HD2 LYS 17 2HD LYS 17 -2.331 -4.976 -29.266 142 HD3 LYS 17 3HD LYS 17 -2.957 -6.505 -29.887 143 HE2 LYS 17 2HE LYS 17 -4.847 -6.303 -28.721 144 HE3 LYS 17 3HE LYS 17 -3.974 -5.916 -27.239 145 HZ1 LYS 17 1HZ LYS 17 -5.557 -4.190 -28.431 146 HZ2 LYS 17 2HZ LYS 17 -4.136 -3.832 -29.275 147 HZ3 LYS 17 3HZ LYS 17 -4.173 -3.702 -27.588 148 H CYS 18 H CYS 18 2.333 -7.010 -26.497 149 HA CYS 18 HA CYS 18 0.572 -6.866 -24.143 150 HB2 CYS 18 2HB CYS 18 3.413 -7.532 -23.654 151 HB3 CYS 18 3HB CYS 18 1.962 -8.112 -22.842 152 H GLN 19 H GLN 19 1.686 -5.576 -22.336 153 HA GLN 19 HA GLN 19 3.680 -3.688 -22.909 154 HB2 GLN 19 2HB GLN 19 2.474 -2.362 -24.300 155 HB3 GLN 19 3HB GLN 19 0.932 -2.963 -23.706 156 HG2 GLN 19 2HG GLN 19 0.942 -0.735 -23.070 157 HG3 GLN 19 3HG GLN 19 1.420 -1.591 -21.604 158 HE21 GLN 19 1HE2 GLN 19 1.909 1.146 -22.185 159 HE22 GLN 19 2HE2 GLN 19 3.621 1.368 -22.244 160 H ARG 20 H ARG 20 4.027 -2.188 -21.177 161 HA ARG 20 HA ARG 20 2.720 -3.052 -18.690 162 HB2 ARG 20 2HB ARG 20 5.464 -2.357 -19.411 163 HB3 ARG 20 3HB ARG 20 4.910 -1.529 -17.962 164 HG2 ARG 20 2HG ARG 20 4.102 -3.924 -17.274 165 HG3 ARG 20 3HG ARG 20 5.317 -4.435 -18.447 166 HD2 ARG 20 2HD ARG 20 6.542 -2.444 -16.912 167 HD3 ARG 20 3HD ARG 20 5.658 -3.447 -15.763 168 HE ARG 20 HE ARG 20 7.194 -5.095 -16.108 169 HH11 ARG 20 1HH1 ARG 20 7.309 -2.889 -18.799 170 HH12 ARG 20 2HH1 ARG 20 8.673 -3.658 -19.540 171 HH21 ARG 20 1HH2 ARG 20 8.990 -6.117 -17.074 172 HH22 ARG 20 2HH2 ARG 20 9.628 -5.495 -18.558 173 H PHE 21 H PHE 21 1.786 -1.601 -17.309 174 HA PHE 21 HA PHE 21 1.229 1.035 -18.428 175 HB2 PHE 21 2HB PHE 21 0.019 -0.268 -15.983 176 HB3 PHE 21 3HB PHE 21 -0.578 1.158 -16.826 177 HD1 PHE 21 HD1 PHE 21 0.241 -2.416 -17.505 178 HD2 PHE 21 HD2 PHE 21 -2.311 0.894 -18.307 179 HE1 PHE 21 HE1 PHE 21 -1.169 -3.851 -18.921 180 HE2 PHE 21 HE2 PHE 21 -3.726 -0.536 -19.723 181 HZ PHE 21 HZ PHE 21 -3.157 -2.912 -20.031 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -0.272 -0.013 0.494 2 HA2 GLY 1 2HA GLY 1 2.140 -1.550 -0.190 3 HA3 GLY 1 3HA GLY 1 1.134 -0.669 -1.330 4 H SER 2 H SER 2 4.086 -0.617 -0.578 5 HA SER 2 HA SER 2 4.263 2.298 -0.172 6 HB2 SER 2 2HB SER 2 5.791 0.065 1.053 7 HB3 SER 2 3HB SER 2 6.711 1.504 0.613 8 HG SER 2 HG SER 2 4.319 1.633 2.117 9 H LYS 3 H LYS 3 6.361 -0.359 -1.300 10 HA LYS 3 HA LYS 3 7.316 1.381 -3.453 11 HB2 LYS 3 2HB LYS 3 8.381 -1.323 -2.630 12 HB3 LYS 3 3HB LYS 3 9.160 -0.153 -3.687 13 HG2 LYS 3 2HG LYS 3 8.682 1.213 -1.300 14 HG3 LYS 3 3HG LYS 3 9.260 -0.385 -0.825 15 HD2 LYS 3 2HD LYS 3 11.046 0.077 -2.710 16 HD3 LYS 3 3HD LYS 3 10.638 1.760 -2.367 17 HE2 LYS 3 2HE LYS 3 11.418 1.638 -0.188 18 HE3 LYS 3 3HE LYS 3 11.270 -0.118 -0.127 19 HZ1 LYS 3 1HZ LYS 3 13.324 -0.374 -0.907 20 HZ2 LYS 3 2HZ LYS 3 13.563 1.267 -0.575 21 HZ3 LYS 3 3HZ LYS 3 13.114 0.777 -2.130 22 H LYS 4 H LYS 4 7.886 0.089 -5.532 23 HA LYS 4 HA LYS 4 5.508 -1.488 -6.265 24 HB2 LYS 4 2HB LYS 4 6.097 -0.741 -8.629 25 HB3 LYS 4 3HB LYS 4 5.469 0.494 -7.545 26 HG2 LYS 4 2HG LYS 4 7.533 1.530 -7.324 27 HG3 LYS 4 3HG LYS 4 8.417 0.102 -7.865 28 HD2 LYS 4 2HD LYS 4 8.493 1.674 -9.645 29 HD3 LYS 4 3HD LYS 4 7.341 0.424 -10.118 30 HE2 LYS 4 2HE LYS 4 5.951 2.120 -10.561 31 HE3 LYS 4 3HE LYS 4 5.748 2.230 -8.813 32 HZ1 LYS 4 1HZ LYS 4 7.861 3.704 -10.276 33 HZ2 LYS 4 2HZ LYS 4 7.334 3.950 -8.688 34 HZ3 LYS 4 3HZ LYS 4 6.327 4.355 -9.985 35 HA PRO 5 HA PRO 5 9.077 -4.409 -6.526 36 HB2 PRO 5 2HB PRO 5 7.685 -6.536 -5.573 37 HB3 PRO 5 3HB PRO 5 8.486 -5.363 -4.521 38 HG2 PRO 5 2HG PRO 5 5.603 -5.544 -5.307 39 HG3 PRO 5 3HG PRO 5 6.310 -5.211 -3.715 40 HD2 PRO 5 2HD PRO 5 5.335 -3.255 -5.315 41 HD3 PRO 5 3HD PRO 5 6.704 -2.995 -4.214 42 H VAL 6 H VAL 6 5.697 -4.714 -7.493 43 HA VAL 6 HA VAL 6 6.585 -6.097 -9.929 44 HB VAL 6 HB VAL 6 4.052 -6.845 -8.472 45 HG11 VAL 6 1HG1 VAL 6 5.389 -8.648 -10.396 46 HG12 VAL 6 2HG1 VAL 6 3.671 -8.350 -10.121 47 HG13 VAL 6 3HG1 VAL 6 4.627 -7.204 -11.063 48 HG21 VAL 6 1HG2 VAL 6 5.176 -8.841 -7.698 49 HG22 VAL 6 2HG2 VAL 6 6.674 -8.340 -8.483 50 HG23 VAL 6 3HG2 VAL 6 6.040 -7.416 -7.121 51 HA PRO 7 HA PRO 7 4.215 -2.614 -11.489 52 HB2 PRO 7 2HB PRO 7 4.991 -2.945 -14.070 53 HB3 PRO 7 3HB PRO 7 6.011 -2.169 -12.852 54 HG2 PRO 7 2HG PRO 7 6.094 -4.979 -13.880 55 HG3 PRO 7 3HG PRO 7 7.436 -3.868 -13.551 56 HD2 PRO 7 2HD PRO 7 6.721 -5.838 -11.836 57 HD3 PRO 7 3HD PRO 7 7.396 -4.291 -11.286 58 H ILE 8 H ILE 8 2.891 -2.493 -13.710 59 HA ILE 8 HA ILE 8 1.184 -4.894 -13.764 60 HB ILE 8 HB ILE 8 -0.530 -3.177 -14.723 61 HG12 ILE 8 2HG1 ILE 8 0.943 -1.253 -12.965 62 HG13 ILE 8 3HG1 ILE 8 1.426 -1.415 -14.650 63 HG21 ILE 8 1HG2 ILE 8 0.255 -3.328 -11.819 64 HG22 ILE 8 2HG2 ILE 8 -1.260 -2.638 -12.400 65 HG23 ILE 8 3HG2 ILE 8 -0.907 -4.345 -12.671 66 HD11 ILE 8 1HD1 ILE 8 -0.872 -0.874 -15.331 67 HD12 ILE 8 2HD1 ILE 8 -1.297 -0.641 -13.635 68 HD13 ILE 8 3HD1 ILE 8 -0.112 0.417 -14.400 69 H ILE 9 H ILE 9 1.153 -6.003 -15.597 70 HA ILE 9 HA ILE 9 1.538 -4.597 -18.139 71 HB ILE 9 HB ILE 9 3.468 -5.570 -18.652 72 HG12 ILE 9 2HG1 ILE 9 3.730 -8.131 -18.307 73 HG13 ILE 9 3HG1 ILE 9 2.026 -8.089 -17.871 74 HG21 ILE 9 1HG2 ILE 9 4.834 -6.487 -16.897 75 HG22 ILE 9 2HG2 ILE 9 3.870 -5.164 -16.242 76 HG23 ILE 9 3HG2 ILE 9 3.409 -6.835 -15.918 77 HD11 ILE 9 1HD1 ILE 9 3.274 -8.003 -20.472 78 HD12 ILE 9 2HD1 ILE 9 1.598 -8.329 -20.030 79 HD13 ILE 9 3HD1 ILE 9 2.148 -6.666 -20.238 80 H TYR 10 H TYR 10 0.390 -5.419 -19.835 81 HA TYR 10 HA TYR 10 -1.335 -7.731 -19.236 82 HB2 TYR 10 2HB TYR 10 -3.111 -6.714 -20.297 83 HB3 TYR 10 3HB TYR 10 -2.291 -5.307 -19.628 84 HD1 TYR 10 HD1 TYR 10 -0.911 -3.865 -21.108 85 HD2 TYR 10 HD2 TYR 10 -3.289 -7.037 -22.652 86 HE1 TYR 10 HE1 TYR 10 -0.745 -2.886 -23.358 87 HE2 TYR 10 HE2 TYR 10 -3.128 -6.068 -24.907 88 HH TYR 10 HH TYR 10 -1.594 -2.947 -25.460 89 H CYS 11 H CYS 11 -1.780 -9.217 -20.903 90 HA CYS 11 HA CYS 11 -0.309 -8.992 -23.400 91 HB2 CYS 11 2HB CYS 11 1.204 -10.078 -21.657 92 HB3 CYS 11 3HB CYS 11 0.086 -11.438 -21.679 93 H ASN 12 H ASN 12 -1.587 -9.643 -24.993 94 HA ASN 12 HA ASN 12 -3.745 -11.548 -24.368 95 HB2 ASN 12 2HB ASN 12 -3.672 -9.406 -26.506 96 HB3 ASN 12 3HB ASN 12 -5.007 -10.518 -26.216 97 HD21 ASN 12 1HD2 ASN 12 -5.588 -10.527 -23.732 98 HD22 ASN 12 2HD2 ASN 12 -5.867 -8.952 -23.077 99 H ARG 13 H ARG 13 -2.530 -13.399 -24.832 100 HA ARG 13 HA ARG 13 -0.967 -13.816 -27.107 101 HB2 ARG 13 2HB ARG 13 -2.321 -15.564 -25.120 102 HB3 ARG 13 3HB ARG 13 -1.802 -16.314 -26.623 103 HG2 ARG 13 2HG ARG 13 0.028 -14.694 -24.873 104 HG3 ARG 13 3HG ARG 13 -0.172 -16.441 -24.722 105 HD2 ARG 13 2HD ARG 13 0.611 -15.085 -27.293 106 HD3 ARG 13 3HD ARG 13 1.786 -15.669 -26.115 107 HE ARG 13 HE ARG 13 0.280 -17.242 -27.969 108 HH11 ARG 13 1HH1 ARG 13 1.839 -17.262 -24.857 109 HH12 ARG 13 2HH1 ARG 13 2.096 -18.975 -24.851 110 HH21 ARG 13 1HH2 ARG 13 0.613 -19.499 -27.974 111 HH22 ARG 13 2HH2 ARG 13 1.399 -20.246 -26.625 112 H ARG 14 H ARG 14 -4.352 -13.562 -26.789 113 HA ARG 14 HA ARG 14 -5.065 -15.167 -29.055 114 HB2 ARG 14 2HB ARG 14 -6.438 -13.601 -27.029 115 HB3 ARG 14 3HB ARG 14 -7.135 -13.352 -28.625 116 HG2 ARG 14 2HG ARG 14 -8.307 -15.201 -28.265 117 HG3 ARG 14 3HG ARG 14 -6.797 -16.090 -28.478 118 HD2 ARG 14 2HD ARG 14 -7.858 -16.767 -26.416 119 HD3 ARG 14 3HD ARG 14 -6.371 -15.889 -26.059 120 HE ARG 14 HE ARG 14 -7.617 -14.241 -25.059 121 HH11 ARG 14 1HH1 ARG 14 -9.713 -16.338 -26.883 122 HH12 ARG 14 2HH1 ARG 14 -11.171 -15.648 -26.249 123 HH21 ARG 14 1HH2 ARG 14 -9.529 -13.324 -24.217 124 HH22 ARG 14 2HH2 ARG 14 -11.065 -13.933 -24.733 125 H THR 15 H THR 15 -5.096 -11.646 -28.474 126 HA THR 15 HA THR 15 -5.249 -11.162 -31.340 127 HB THR 15 HB THR 15 -6.670 -9.767 -29.998 128 HG1 THR 15 HG1 THR 15 -5.705 -8.702 -31.761 129 HG21 THR 15 1HG2 THR 15 -5.473 -8.080 -28.432 130 HG22 THR 15 2HG2 THR 15 -4.163 -9.261 -28.435 131 HG23 THR 15 3HG2 THR 15 -5.764 -9.720 -27.856 132 H GLY 16 H GLY 16 -2.804 -12.009 -29.478 133 HA2 GLY 16 2HA GLY 16 -0.533 -11.646 -29.455 134 HA3 GLY 16 3HA GLY 16 -0.759 -11.230 -31.148 135 H LYS 17 H LYS 17 -0.989 -9.861 -27.879 136 HA LYS 17 HA LYS 17 0.513 -7.556 -28.625 137 HB2 LYS 17 2HB LYS 17 -1.081 -5.900 -28.718 138 HB3 LYS 17 3HB LYS 17 -1.962 -7.227 -29.464 139 HG2 LYS 17 2HG LYS 17 -2.903 -7.712 -27.163 140 HG3 LYS 17 3HG LYS 17 -2.235 -6.153 -26.674 141 HD2 LYS 17 2HD LYS 17 -4.152 -6.548 -28.970 142 HD3 LYS 17 3HD LYS 17 -4.627 -6.050 -27.344 143 HE2 LYS 17 2HE LYS 17 -2.494 -4.379 -28.211 144 HE3 LYS 17 3HE LYS 17 -3.702 -4.442 -29.492 145 HZ1 LYS 17 1HZ LYS 17 -3.793 -2.933 -27.180 146 HZ2 LYS 17 2HZ LYS 17 -4.954 -4.145 -26.971 147 HZ3 LYS 17 3HZ LYS 17 -5.026 -3.129 -28.322 148 H CYS 18 H CYS 18 1.640 -7.024 -26.881 149 HA CYS 18 HA CYS 18 0.379 -7.195 -24.243 150 HB2 CYS 18 2HB CYS 18 3.187 -8.198 -24.629 151 HB3 CYS 18 3HB CYS 18 2.091 -8.480 -23.280 152 H GLN 19 H GLN 19 1.719 -6.096 -22.552 153 HA GLN 19 HA GLN 19 3.841 -4.389 -23.110 154 HB2 GLN 19 2HB GLN 19 2.792 -2.873 -24.423 155 HB3 GLN 19 3HB GLN 19 1.193 -3.344 -23.863 156 HG2 GLN 19 2HG GLN 19 1.542 -2.059 -21.808 157 HG3 GLN 19 3HG GLN 19 3.131 -1.570 -22.396 158 HE21 GLN 19 1HE2 GLN 19 3.261 -0.163 -24.179 159 HE22 GLN 19 2HE2 GLN 19 1.931 0.845 -24.626 160 H ARG 20 H ARG 20 4.312 -2.900 -21.355 161 HA ARG 20 HA ARG 20 2.860 -3.603 -18.888 162 HB2 ARG 20 2HB ARG 20 4.794 -4.227 -17.969 163 HB3 ARG 20 3HB ARG 20 5.582 -3.968 -19.520 164 HG2 ARG 20 2HG ARG 20 6.117 -1.700 -18.929 165 HG3 ARG 20 3HG ARG 20 5.196 -1.837 -17.430 166 HD2 ARG 20 2HD ARG 20 6.903 -2.800 -16.365 167 HD3 ARG 20 3HD ARG 20 7.177 -3.937 -17.684 168 HE ARG 20 HE ARG 20 8.135 -1.352 -18.355 169 HH11 ARG 20 1HH1 ARG 20 8.880 -4.165 -16.445 170 HH12 ARG 20 2HH1 ARG 20 10.591 -3.896 -16.479 171 HH21 ARG 20 1HH2 ARG 20 10.386 -0.987 -18.407 172 HH22 ARG 20 2HH2 ARG 20 11.447 -2.088 -17.595 173 H PHE 21 H PHE 21 2.021 -1.984 -17.734 174 HA PHE 21 HA PHE 21 2.493 0.747 -18.646 175 HB2 PHE 21 2HB PHE 21 0.432 -0.372 -16.735 176 HB3 PHE 21 3HB PHE 21 0.523 1.308 -17.253 177 HD1 PHE 21 HD1 PHE 21 -1.524 1.551 -18.363 178 HD2 PHE 21 HD2 PHE 21 1.047 -1.693 -19.354 179 HE1 PHE 21 HE1 PHE 21 -2.940 1.027 -20.306 180 HE2 PHE 21 HE2 PHE 21 -0.364 -2.221 -21.299 181 HZ PHE 21 HZ PHE 21 -2.360 -0.860 -21.778 Start of MODEL 14 1 H1 GLY 1 H GLY 1 2.088 0.732 -2.536 2 HA2 GLY 1 2HA GLY 1 1.619 2.940 -3.411 3 HA3 GLY 1 3HA GLY 1 0.981 3.374 -1.832 4 H SER 2 H SER 2 3.880 1.520 -1.916 5 HA SER 2 HA SER 2 5.448 3.951 -1.349 6 HB2 SER 2 2HB SER 2 5.047 2.675 0.712 7 HB3 SER 2 3HB SER 2 5.729 1.233 -0.041 8 HG SER 2 HG SER 2 7.046 2.959 1.326 9 H LYS 3 H LYS 3 6.157 0.495 -1.858 10 HA LYS 3 HA LYS 3 8.178 1.298 -3.842 11 HB2 LYS 3 2HB LYS 3 9.220 -0.913 -3.379 12 HB3 LYS 3 3HB LYS 3 9.165 0.140 -1.972 13 HG2 LYS 3 2HG LYS 3 7.410 -1.095 -0.993 14 HG3 LYS 3 3HG LYS 3 7.097 -1.976 -2.490 15 HD2 LYS 3 2HD LYS 3 9.574 -2.760 -2.204 16 HD3 LYS 3 3HD LYS 3 9.317 -2.308 -0.517 17 HE2 LYS 3 2HE LYS 3 7.946 -4.051 -0.129 18 HE3 LYS 3 3HE LYS 3 7.170 -3.920 -1.707 19 HZ1 LYS 3 1HZ LYS 3 9.290 -5.638 -0.871 20 HZ2 LYS 3 2HZ LYS 3 9.709 -4.767 -2.258 21 HZ3 LYS 3 3HZ LYS 3 8.316 -5.726 -2.252 22 H LYS 4 H LYS 4 8.491 -0.126 -5.689 23 HA LYS 4 HA LYS 4 6.041 -1.576 -6.450 24 HB2 LYS 4 2HB LYS 4 7.751 0.202 -8.199 25 HB3 LYS 4 3HB LYS 4 6.430 -0.803 -8.781 26 HG2 LYS 4 2HG LYS 4 4.881 0.463 -7.328 27 HG3 LYS 4 3HG LYS 4 6.222 1.517 -6.874 28 HD2 LYS 4 2HD LYS 4 6.154 1.344 -9.710 29 HD3 LYS 4 3HD LYS 4 4.519 1.690 -9.142 30 HE2 LYS 4 2HE LYS 4 6.002 3.370 -7.597 31 HE3 LYS 4 3HE LYS 4 6.934 3.358 -9.093 32 HZ1 LYS 4 1HZ LYS 4 4.980 5.030 -8.755 33 HZ2 LYS 4 2HZ LYS 4 4.027 3.722 -9.246 34 HZ3 LYS 4 3HZ LYS 4 5.241 4.314 -10.266 35 HA PRO 5 HA PRO 5 9.652 -4.440 -6.759 36 HB2 PRO 5 2HB PRO 5 8.307 -6.589 -5.786 37 HB3 PRO 5 3HB PRO 5 9.103 -5.402 -4.746 38 HG2 PRO 5 2HG PRO 5 6.213 -5.629 -5.492 39 HG3 PRO 5 3HG PRO 5 6.936 -5.284 -3.910 40 HD2 PRO 5 2HD PRO 5 5.909 -3.345 -5.497 41 HD3 PRO 5 3HD PRO 5 7.289 -3.063 -4.415 42 H VAL 6 H VAL 6 6.261 -4.815 -7.670 43 HA VAL 6 HA VAL 6 7.137 -6.170 -10.125 44 HB VAL 6 HB VAL 6 4.652 -6.984 -8.622 45 HG11 VAL 6 1HG1 VAL 6 5.215 -7.326 -11.230 46 HG12 VAL 6 2HG1 VAL 6 5.974 -8.772 -10.560 47 HG13 VAL 6 3HG1 VAL 6 4.259 -8.465 -10.281 48 HG21 VAL 6 1HG2 VAL 6 6.676 -7.511 -7.312 49 HG22 VAL 6 2HG2 VAL 6 5.840 -8.957 -7.878 50 HG23 VAL 6 3HG2 VAL 6 7.308 -8.413 -8.689 51 HA PRO 7 HA PRO 7 4.654 -2.743 -11.631 52 HB2 PRO 7 2HB PRO 7 5.389 -3.049 -14.226 53 HB3 PRO 7 3HB PRO 7 6.412 -2.251 -13.026 54 HG2 PRO 7 2HG PRO 7 6.545 -5.056 -14.063 55 HG3 PRO 7 3HG PRO 7 7.865 -3.913 -13.756 56 HD2 PRO 7 2HD PRO 7 7.231 -5.904 -12.034 57 HD3 PRO 7 3HD PRO 7 7.878 -4.342 -11.491 58 H ILE 8 H ILE 8 3.223 -2.614 -13.737 59 HA ILE 8 HA ILE 8 1.628 -5.090 -13.837 60 HB ILE 8 HB ILE 8 -0.205 -3.414 -14.636 61 HG12 ILE 8 2HG1 ILE 8 1.254 -1.508 -12.848 62 HG13 ILE 8 3HG1 ILE 8 1.669 -1.566 -14.557 63 HG21 ILE 8 1HG2 ILE 8 -0.857 -3.026 -12.261 64 HG22 ILE 8 2HG2 ILE 8 -0.432 -4.697 -12.629 65 HG23 ILE 8 3HG2 ILE 8 0.715 -3.663 -11.778 66 HD11 ILE 8 1HD1 ILE 8 -0.681 -1.106 -15.113 67 HD12 ILE 8 2HD1 ILE 8 -1.038 -0.972 -13.391 68 HD13 ILE 8 3HD1 ILE 8 0.061 0.176 -14.155 69 H ILE 9 H ILE 9 1.567 -6.110 -15.720 70 HA ILE 9 HA ILE 9 1.770 -4.568 -18.203 71 HB ILE 9 HB ILE 9 3.718 -5.419 -18.846 72 HG12 ILE 9 2HG1 ILE 9 4.116 -7.978 -18.642 73 HG13 ILE 9 3HG1 ILE 9 2.433 -8.041 -18.131 74 HG21 ILE 9 1HG2 ILE 9 3.834 -6.808 -16.173 75 HG22 ILE 9 2HG2 ILE 9 5.200 -6.365 -17.196 76 HG23 ILE 9 3HG2 ILE 9 4.218 -5.108 -16.443 77 HD11 ILE 9 1HD1 ILE 9 1.919 -8.199 -20.279 78 HD12 ILE 9 2HD1 ILE 9 2.381 -6.503 -20.427 79 HD13 ILE 9 3HD1 ILE 9 3.556 -7.771 -20.776 80 H TYR 10 H TYR 10 0.586 -5.363 -19.887 81 HA TYR 10 HA TYR 10 -0.999 -7.784 -19.330 82 HB2 TYR 10 2HB TYR 10 -2.868 -6.806 -20.261 83 HB3 TYR 10 3HB TYR 10 -2.085 -5.394 -19.559 84 HD1 TYR 10 HD1 TYR 10 -0.842 -3.818 -21.024 85 HD2 TYR 10 HD2 TYR 10 -3.141 -7.023 -22.618 86 HE1 TYR 10 HE1 TYR 10 -0.826 -2.725 -23.228 87 HE2 TYR 10 HE2 TYR 10 -3.129 -5.941 -24.827 88 HH TYR 10 HH TYR 10 -1.953 -2.706 -25.281 89 H CYS 11 H CYS 11 -1.450 -9.208 -21.049 90 HA CYS 11 HA CYS 11 -0.106 -8.791 -23.593 91 HB2 CYS 11 2HB CYS 11 1.537 -9.882 -21.980 92 HB3 CYS 11 3HB CYS 11 0.482 -11.291 -22.010 93 H ASN 12 H ASN 12 -1.417 -9.432 -25.164 94 HA ASN 12 HA ASN 12 -3.458 -11.463 -24.541 95 HB2 ASN 12 2HB ASN 12 -3.573 -9.225 -26.575 96 HB3 ASN 12 3HB ASN 12 -4.841 -10.412 -26.289 97 HD21 ASN 12 1HD2 ASN 12 -5.314 -10.567 -23.785 98 HD22 ASN 12 2HD2 ASN 12 -5.642 -9.041 -23.045 99 H ARG 13 H ARG 13 -2.183 -13.233 -25.139 100 HA ARG 13 HA ARG 13 -0.700 -13.475 -27.492 101 HB2 ARG 13 2HB ARG 13 -1.960 -15.425 -25.607 102 HB3 ARG 13 3HB ARG 13 -1.293 -16.014 -27.124 103 HG2 ARG 13 2HG ARG 13 0.882 -15.318 -26.557 104 HG3 ARG 13 3HG ARG 13 0.298 -14.328 -25.219 105 HD2 ARG 13 2HD ARG 13 0.377 -16.052 -23.812 106 HD3 ARG 13 3HD ARG 13 -0.534 -17.075 -24.922 107 HE ARG 13 HE ARG 13 2.087 -16.887 -25.868 108 HH11 ARG 13 1HH1 ARG 13 0.347 -18.197 -23.152 109 HH12 ARG 13 2HH1 ARG 13 1.479 -19.480 -22.879 110 HH21 ARG 13 1HH2 ARG 13 3.584 -18.572 -25.519 111 HH22 ARG 13 2HH2 ARG 13 3.320 -19.692 -24.225 112 H ARG 14 H ARG 14 -4.076 -13.392 -27.028 113 HA ARG 14 HA ARG 14 -4.812 -14.925 -29.336 114 HB2 ARG 14 2HB ARG 14 -6.403 -12.944 -27.696 115 HB3 ARG 14 3HB ARG 14 -7.072 -13.997 -28.935 116 HG2 ARG 14 2HG ARG 14 -6.808 -15.899 -27.650 117 HG3 ARG 14 3HG ARG 14 -5.567 -15.162 -26.634 118 HD2 ARG 14 2HD ARG 14 -7.077 -14.221 -25.251 119 HD3 ARG 14 3HD ARG 14 -8.191 -13.839 -26.564 120 HE ARG 14 HE ARG 14 -8.385 -16.530 -26.341 121 HH11 ARG 14 1HH1 ARG 14 -8.658 -13.905 -24.071 122 HH12 ARG 14 2HH1 ARG 14 -9.788 -14.732 -23.051 123 HH21 ARG 14 1HH2 ARG 14 -9.872 -17.630 -25.006 124 HH22 ARG 14 2HH2 ARG 14 -10.477 -16.851 -23.583 125 H THR 15 H THR 15 -4.970 -11.439 -28.590 126 HA THR 15 HA THR 15 -5.267 -10.834 -31.422 127 HB THR 15 HB THR 15 -6.692 -9.569 -29.960 128 HG1 THR 15 HG1 THR 15 -6.137 -7.524 -30.675 129 HG21 THR 15 1HG2 THR 15 -4.147 -9.019 -28.475 130 HG22 THR 15 2HG2 THR 15 -5.702 -9.574 -27.855 131 HG23 THR 15 3HG2 THR 15 -5.504 -7.899 -28.367 132 H GLY 16 H GLY 16 -2.711 -11.649 -29.700 133 HA2 GLY 16 2HA GLY 16 -0.460 -11.181 -29.749 134 HA3 GLY 16 3HA GLY 16 -0.774 -10.702 -31.410 135 H LYS 17 H LYS 17 -0.936 -9.489 -28.076 136 HA LYS 17 HA LYS 17 0.432 -7.087 -28.772 137 HB2 LYS 17 2HB LYS 17 -1.238 -5.500 -28.710 138 HB3 LYS 17 3HB LYS 17 -2.071 -6.823 -29.516 139 HG2 LYS 17 2HG LYS 17 -3.031 -7.487 -27.332 140 HG3 LYS 17 3HG LYS 17 -2.280 -6.062 -26.611 141 HD2 LYS 17 2HD LYS 17 -3.568 -4.611 -28.066 142 HD3 LYS 17 3HD LYS 17 -4.263 -6.012 -28.886 143 HE2 LYS 17 2HE LYS 17 -5.286 -6.713 -26.754 144 HE3 LYS 17 3HE LYS 17 -4.636 -5.266 -25.986 145 HZ1 LYS 17 1HZ LYS 17 -6.930 -4.938 -26.612 146 HZ2 LYS 17 2HZ LYS 17 -6.589 -5.325 -28.222 147 HZ3 LYS 17 3HZ LYS 17 -5.939 -3.923 -27.534 148 H CYS 18 H CYS 18 1.602 -6.582 -27.048 149 HA CYS 18 HA CYS 18 0.452 -6.925 -24.376 150 HB2 CYS 18 2HB CYS 18 3.286 -7.774 -24.898 151 HB3 CYS 18 3HB CYS 18 2.246 -8.176 -23.536 152 H GLN 19 H GLN 19 1.818 -5.847 -22.686 153 HA GLN 19 HA GLN 19 3.833 -4.015 -23.251 154 HB2 GLN 19 2HB GLN 19 2.657 -2.491 -24.441 155 HB3 GLN 19 3HB GLN 19 1.108 -3.065 -23.839 156 HG2 GLN 19 2HG GLN 19 1.489 -1.864 -21.739 157 HG3 GLN 19 3HG GLN 19 3.024 -1.269 -22.368 158 HE21 GLN 19 1HE2 GLN 19 2.411 -0.589 -24.912 159 HE22 GLN 19 2HE2 GLN 19 1.247 0.687 -24.930 160 H ARG 20 H ARG 20 4.314 -2.589 -21.447 161 HA ARG 20 HA ARG 20 3.010 -3.477 -18.957 162 HB2 ARG 20 2HB ARG 20 5.011 -4.047 -18.154 163 HB3 ARG 20 3HB ARG 20 5.714 -3.679 -19.723 164 HG2 ARG 20 2HG ARG 20 6.169 -1.417 -19.049 165 HG3 ARG 20 3HG ARG 20 5.326 -1.668 -17.518 166 HD2 ARG 20 2HD ARG 20 7.111 -2.628 -16.578 167 HD3 ARG 20 3HD ARG 20 7.408 -3.642 -17.990 168 HE ARG 20 HE ARG 20 8.179 -0.958 -18.488 169 HH11 ARG 20 1HH1 ARG 20 9.164 -3.849 -16.817 170 HH12 ARG 20 2HH1 ARG 20 10.853 -3.467 -16.880 171 HH21 ARG 20 1HH2 ARG 20 10.399 -0.443 -18.577 172 HH22 ARG 20 2HH2 ARG 20 11.554 -1.529 -17.881 173 H PHE 21 H PHE 21 2.149 -1.957 -17.690 174 HA PHE 21 HA PHE 21 2.450 0.834 -18.487 175 HB2 PHE 21 2HB PHE 21 0.534 -0.474 -16.545 176 HB3 PHE 21 3HB PHE 21 0.522 1.231 -16.982 177 HD1 PHE 21 HD1 PHE 21 1.090 -1.637 -19.250 178 HD2 PHE 21 HD2 PHE 21 -1.583 1.426 -17.990 179 HE1 PHE 21 HE1 PHE 21 -0.382 -2.142 -21.156 180 HE2 PHE 21 HE2 PHE 21 -3.059 0.926 -19.893 181 HZ PHE 21 HZ PHE 21 -2.460 -0.860 -21.479 Start of MODEL 15 1 H1 GLY 1 H GLY 1 0.221 2.477 -0.248 2 HA2 GLY 1 2HA GLY 1 1.516 0.864 -2.352 3 HA3 GLY 1 3HA GLY 1 0.635 2.329 -2.760 4 H SER 2 H SER 2 3.503 1.023 -1.253 5 HA SER 2 HA SER 2 4.618 3.728 -1.000 6 HB2 SER 2 2HB SER 2 6.506 2.197 0.144 7 HB3 SER 2 3HB SER 2 5.099 2.788 1.028 8 HG SER 2 HG SER 2 4.501 0.800 1.271 9 H LYS 3 H LYS 3 6.057 0.551 -1.714 10 HA LYS 3 HA LYS 3 7.618 1.833 -3.850 11 HB2 LYS 3 2HB LYS 3 9.181 -0.039 -3.613 12 HB3 LYS 3 3HB LYS 3 8.947 0.791 -2.080 13 HG2 LYS 3 2HG LYS 3 7.963 -0.993 -1.105 14 HG3 LYS 3 3HG LYS 3 7.189 -1.523 -2.600 15 HD2 LYS 3 2HD LYS 3 8.887 -2.893 -3.122 16 HD3 LYS 3 3HD LYS 3 10.106 -1.702 -2.661 17 HE2 LYS 3 2HE LYS 3 10.286 -2.508 -0.552 18 HE3 LYS 3 3HE LYS 3 8.577 -2.929 -0.453 19 HZ1 LYS 3 1HZ LYS 3 10.535 -4.457 -2.073 20 HZ2 LYS 3 2HZ LYS 3 8.954 -4.905 -1.674 21 HZ3 LYS 3 3HZ LYS 3 10.145 -4.852 -0.474 22 H LYS 4 H LYS 4 8.048 0.553 -5.793 23 HA LYS 4 HA LYS 4 5.734 -1.130 -6.495 24 HB2 LYS 4 2HB LYS 4 6.329 -0.464 -8.877 25 HB3 LYS 4 3HB LYS 4 5.659 0.801 -7.855 26 HG2 LYS 4 2HG LYS 4 8.590 0.606 -7.842 27 HG3 LYS 4 3HG LYS 4 7.867 1.080 -9.381 28 HD2 LYS 4 2HD LYS 4 6.751 2.936 -8.359 29 HD3 LYS 4 3HD LYS 4 7.223 2.397 -6.746 30 HE2 LYS 4 2HE LYS 4 9.560 2.803 -7.274 31 HE3 LYS 4 3HE LYS 4 9.127 3.270 -8.918 32 HZ1 LYS 4 1HZ LYS 4 9.409 4.976 -6.855 33 HZ2 LYS 4 2HZ LYS 4 7.734 4.743 -6.870 34 HZ3 LYS 4 3HZ LYS 4 8.522 5.302 -8.258 35 HA PRO 5 HA PRO 5 9.399 -3.940 -6.575 36 HB2 PRO 5 2HB PRO 5 8.061 -6.069 -5.553 37 HB3 PRO 5 3HB PRO 5 8.806 -4.826 -4.540 38 HG2 PRO 5 2HG PRO 5 5.944 -5.136 -5.362 39 HG3 PRO 5 3HG PRO 5 6.613 -4.712 -3.775 40 HD2 PRO 5 2HD PRO 5 5.602 -2.860 -5.472 41 HD3 PRO 5 3HD PRO 5 6.944 -2.508 -4.363 42 H VAL 6 H VAL 6 6.037 -4.450 -7.545 43 HA VAL 6 HA VAL 6 7.009 -5.860 -9.932 44 HB VAL 6 HB VAL 6 4.524 -6.707 -8.449 45 HG11 VAL 6 1HG1 VAL 6 5.954 -8.509 -10.297 46 HG12 VAL 6 2HG1 VAL 6 4.222 -8.267 -10.056 47 HG13 VAL 6 3HG1 VAL 6 5.147 -7.122 -11.030 48 HG21 VAL 6 1HG2 VAL 6 7.230 -8.039 -8.411 49 HG22 VAL 6 2HG2 VAL 6 6.538 -7.114 -7.078 50 HG23 VAL 6 3HG2 VAL 6 5.765 -8.607 -7.609 51 HA PRO 7 HA PRO 7 4.440 -2.579 -11.610 52 HB2 PRO 7 2HB PRO 7 5.238 -2.952 -14.178 53 HB3 PRO 7 3HB PRO 7 6.208 -2.075 -12.988 54 HG2 PRO 7 2HG PRO 7 6.459 -4.909 -13.919 55 HG3 PRO 7 3HG PRO 7 7.733 -3.710 -13.629 56 HD2 PRO 7 2HD PRO 7 7.134 -5.659 -11.847 57 HD3 PRO 7 3HD PRO 7 7.714 -4.057 -11.350 58 H ILE 8 H ILE 8 3.003 -2.555 -13.681 59 HA ILE 8 HA ILE 8 1.537 -5.110 -13.773 60 HB ILE 8 HB ILE 8 -0.380 -3.532 -14.577 61 HG12 ILE 8 2HG1 ILE 8 0.925 -1.540 -12.777 62 HG13 ILE 8 3HG1 ILE 8 1.436 -1.598 -14.460 63 HG21 ILE 8 1HG2 ILE 8 -0.542 -4.822 -12.568 64 HG22 ILE 8 2HG2 ILE 8 0.551 -3.730 -11.720 65 HG23 ILE 8 3HG2 ILE 8 -1.051 -3.174 -12.202 66 HD11 ILE 8 1HD1 ILE 8 -0.978 -1.346 -15.091 67 HD12 ILE 8 2HD1 ILE 8 -1.309 -1.028 -13.387 68 HD13 ILE 8 3HD1 ILE 8 -0.248 0.049 -14.296 69 H ILE 9 H ILE 9 1.526 -6.137 -15.654 70 HA ILE 9 HA ILE 9 1.647 -4.593 -18.141 71 HB ILE 9 HB ILE 9 3.624 -5.363 -18.810 72 HG12 ILE 9 2HG1 ILE 9 4.178 -7.891 -18.498 73 HG13 ILE 9 3HG1 ILE 9 2.496 -8.025 -17.999 74 HG21 ILE 9 1HG2 ILE 9 3.881 -6.669 -16.107 75 HG22 ILE 9 2HG2 ILE 9 5.186 -6.117 -17.155 76 HG23 ILE 9 3HG2 ILE 9 4.103 -4.945 -16.404 77 HD11 ILE 9 1HD1 ILE 9 2.016 -8.292 -20.145 78 HD12 ILE 9 2HD1 ILE 9 2.383 -6.579 -20.351 79 HD13 ILE 9 3HD1 ILE 9 3.632 -7.790 -20.643 80 H TYR 10 H TYR 10 0.546 -5.483 -19.846 81 HA TYR 10 HA TYR 10 -0.949 -7.953 -19.258 82 HB2 TYR 10 2HB TYR 10 -2.832 -7.076 -20.255 83 HB3 TYR 10 3HB TYR 10 -2.118 -5.612 -19.588 84 HD1 TYR 10 HD1 TYR 10 -0.938 -4.022 -21.074 85 HD2 TYR 10 HD2 TYR 10 -3.013 -7.402 -22.616 86 HE1 TYR 10 HE1 TYR 10 -0.916 -3.006 -23.314 87 HE2 TYR 10 HE2 TYR 10 -2.995 -6.396 -24.860 88 HH TYR 10 HH TYR 10 -1.854 -3.122 -25.398 89 H CYS 11 H CYS 11 -1.280 -9.456 -20.927 90 HA CYS 11 HA CYS 11 0.110 -9.056 -23.454 91 HB2 CYS 11 2HB CYS 11 1.508 -10.253 -21.454 92 HB3 CYS 11 3HB CYS 11 0.733 -11.652 -22.190 93 H ASN 12 H ASN 12 -1.297 -9.627 -24.962 94 HA ASN 12 HA ASN 12 -3.113 -11.882 -24.414 95 HB2 ASN 12 2HB ASN 12 -3.646 -9.196 -25.324 96 HB3 ASN 12 3HB ASN 12 -4.183 -10.363 -26.529 97 HD21 ASN 12 1HD2 ASN 12 -5.009 -8.740 -23.761 98 HD22 ASN 12 2HD2 ASN 12 -6.345 -9.714 -23.260 99 H ARG 13 H ARG 13 -1.640 -13.402 -25.267 100 HA ARG 13 HA ARG 13 -0.399 -13.225 -27.772 101 HB2 ARG 13 2HB ARG 13 -0.023 -15.606 -27.588 102 HB3 ARG 13 3HB ARG 13 0.204 -14.863 -26.011 103 HG2 ARG 13 2HG ARG 13 -2.328 -15.523 -25.712 104 HG3 ARG 13 3HG ARG 13 -1.919 -16.711 -26.953 105 HD2 ARG 13 2HD ARG 13 0.169 -17.075 -25.342 106 HD3 ARG 13 3HD ARG 13 -0.985 -16.484 -24.147 107 HE ARG 13 HE ARG 13 -2.038 -18.499 -24.262 108 HH11 ARG 13 1HH1 ARG 13 -0.175 -18.060 -27.169 109 HH12 ARG 13 2HH1 ARG 13 -0.517 -19.644 -27.783 110 HH21 ARG 13 1HH2 ARG 13 -2.495 -20.587 -25.059 111 HH22 ARG 13 2HH2 ARG 13 -1.837 -21.080 -26.582 112 H ARG 14 H ARG 14 -3.667 -13.678 -26.964 113 HA ARG 14 HA ARG 14 -4.476 -15.231 -29.210 114 HB2 ARG 14 2HB ARG 14 -6.109 -13.353 -27.493 115 HB3 ARG 14 3HB ARG 14 -6.752 -14.566 -28.592 116 HG2 ARG 14 2HG ARG 14 -6.515 -16.197 -27.097 117 HG3 ARG 14 3HG ARG 14 -4.885 -15.678 -26.663 118 HD2 ARG 14 2HD ARG 14 -5.870 -15.191 -24.691 119 HD3 ARG 14 3HD ARG 14 -6.311 -13.704 -25.530 120 HE ARG 14 HE ARG 14 -8.497 -14.365 -25.464 121 HH11 ARG 14 1HH1 ARG 14 -6.464 -17.124 -24.855 122 HH12 ARG 14 2HH1 ARG 14 -7.785 -18.174 -24.459 123 HH21 ARG 14 1HH2 ARG 14 -10.244 -15.737 -24.945 124 HH22 ARG 14 2HH2 ARG 14 -9.935 -17.384 -24.512 125 H THR 15 H THR 15 -4.764 -11.755 -28.475 126 HA THR 15 HA THR 15 -5.298 -11.242 -31.312 127 HB THR 15 HB THR 15 -6.912 -10.206 -29.878 128 HG1 THR 15 HG1 THR 15 -6.203 -7.867 -30.268 129 HG21 THR 15 1HG2 THR 15 -6.245 -8.554 -28.154 130 HG22 THR 15 2HG2 THR 15 -4.559 -8.992 -28.427 131 HG23 THR 15 3HG2 THR 15 -5.689 -10.186 -27.790 132 H GLY 16 H GLY 16 -2.639 -11.661 -29.646 133 HA2 GLY 16 2HA GLY 16 -0.476 -10.899 -29.772 134 HA3 GLY 16 3HA GLY 16 -0.929 -10.305 -31.363 135 H LYS 17 H LYS 17 -1.143 -9.471 -27.915 136 HA LYS 17 HA LYS 17 -0.297 -6.769 -28.509 137 HB2 LYS 17 2HB LYS 17 -3.049 -7.394 -27.454 138 HB3 LYS 17 3HB LYS 17 -2.276 -5.839 -27.176 139 HG2 LYS 17 2HG LYS 17 -2.082 -5.535 -29.616 140 HG3 LYS 17 3HG LYS 17 -2.952 -7.054 -29.847 141 HD2 LYS 17 2HD LYS 17 -4.695 -5.582 -29.995 142 HD3 LYS 17 3HD LYS 17 -4.706 -5.880 -28.255 143 HE2 LYS 17 2HE LYS 17 -2.875 -3.801 -28.657 144 HE3 LYS 17 3HE LYS 17 -4.250 -3.427 -29.695 145 HZ1 LYS 17 1HZ LYS 17 -4.803 -4.273 -26.951 146 HZ2 LYS 17 2HZ LYS 17 -5.635 -3.172 -27.930 147 HZ3 LYS 17 3HZ LYS 17 -4.189 -2.713 -27.181 148 H CYS 18 H CYS 18 1.264 -6.457 -27.074 149 HA CYS 18 HA CYS 18 0.763 -7.177 -24.270 150 HB2 CYS 18 2HB CYS 18 2.350 -8.756 -25.677 151 HB3 CYS 18 3HB CYS 18 3.526 -7.481 -25.370 152 H GLN 19 H GLN 19 1.933 -5.924 -22.726 153 HA GLN 19 HA GLN 19 3.745 -3.899 -23.261 154 HB2 GLN 19 2HB GLN 19 2.474 -2.418 -24.384 155 HB3 GLN 19 3HB GLN 19 0.975 -3.204 -23.905 156 HG2 GLN 19 2HG GLN 19 0.776 -1.137 -22.924 157 HG3 GLN 19 3HG GLN 19 1.423 -2.110 -21.604 158 HE21 GLN 19 1HE2 GLN 19 1.612 0.643 -21.630 159 HE22 GLN 19 2HE2 GLN 19 3.270 1.097 -21.807 160 H ARG 20 H ARG 20 4.120 -2.487 -21.433 161 HA ARG 20 HA ARG 20 2.876 -3.499 -18.960 162 HB2 ARG 20 2HB ARG 20 4.906 -3.946 -18.152 163 HB3 ARG 20 3HB ARG 20 5.586 -3.527 -19.719 164 HG2 ARG 20 2HG ARG 20 5.896 -1.242 -19.029 165 HG3 ARG 20 3HG ARG 20 5.081 -1.561 -17.496 166 HD2 ARG 20 2HD ARG 20 6.997 -2.216 -16.588 167 HD3 ARG 20 3HD ARG 20 7.179 -3.458 -17.825 168 HE ARG 20 HE ARG 20 7.956 -0.936 -18.841 169 HH11 ARG 20 1HH1 ARG 20 9.008 -3.464 -16.691 170 HH12 ARG 20 2HH1 ARG 20 10.694 -3.127 -16.909 171 HH21 ARG 20 1HH2 ARG 20 10.172 -0.483 -19.136 172 HH22 ARG 20 2HH2 ARG 20 11.355 -1.431 -18.299 173 H PHE 21 H PHE 21 1.898 -2.057 -17.692 174 HA PHE 21 HA PHE 21 2.064 0.766 -18.427 175 HB2 PHE 21 2HB PHE 21 0.152 -0.684 -16.584 176 HB3 PHE 21 3HB PHE 21 0.062 1.026 -16.994 177 HD1 PHE 21 HD1 PHE 21 0.865 -1.771 -19.281 178 HD2 PHE 21 HD2 PHE 21 -2.008 1.131 -18.081 179 HE1 PHE 21 HE1 PHE 21 -0.506 -2.320 -21.249 180 HE2 PHE 21 HE2 PHE 21 -3.384 0.586 -20.046 181 HZ PHE 21 HZ PHE 21 -2.634 -1.142 -21.633 Start of MODEL 16 1 H1 GLY 1 H GLY 1 0.990 2.654 -0.025 2 HA2 GLY 1 2HA GLY 1 2.202 0.802 -1.286 3 HA3 GLY 1 3HA GLY 1 1.724 1.700 -2.719 4 H SER 2 H SER 2 4.292 1.067 -0.905 5 HA SER 2 HA SER 2 5.400 3.788 -1.042 6 HB2 SER 2 2HB SER 2 7.237 2.129 0.282 7 HB3 SER 2 3HB SER 2 6.166 3.323 1.013 8 HG SER 2 HG SER 2 5.984 0.570 0.970 9 H LYS 3 H LYS 3 6.502 0.424 -1.499 10 HA LYS 3 HA LYS 3 8.300 1.392 -3.617 11 HB2 LYS 3 2HB LYS 3 9.606 -0.642 -3.240 12 HB3 LYS 3 3HB LYS 3 9.433 0.279 -1.752 13 HG2 LYS 3 2HG LYS 3 7.879 -1.248 -0.865 14 HG3 LYS 3 3HG LYS 3 7.633 -2.026 -2.431 15 HD2 LYS 3 2HD LYS 3 10.156 -2.579 -2.285 16 HD3 LYS 3 3HD LYS 3 9.970 -2.226 -0.565 17 HE2 LYS 3 2HE LYS 3 8.699 -4.072 -0.184 18 HE3 LYS 3 3HE LYS 3 7.977 -4.040 -1.793 19 HZ1 LYS 3 1HZ LYS 3 10.365 -4.681 -2.528 20 HZ2 LYS 3 2HZ LYS 3 9.329 -5.871 -1.917 21 HZ3 LYS 3 3HZ LYS 3 10.532 -5.208 -0.929 22 H LYS 4 H LYS 4 8.398 0.318 -5.601 23 HA LYS 4 HA LYS 4 6.270 -1.644 -6.121 24 HB2 LYS 4 2HB LYS 4 7.002 0.613 -7.992 25 HB3 LYS 4 3HB LYS 4 5.713 -0.564 -8.209 26 HG2 LYS 4 2HG LYS 4 4.644 0.355 -6.141 27 HG3 LYS 4 3HG LYS 4 5.857 1.637 -6.164 28 HD2 LYS 4 2HD LYS 4 5.047 1.950 -8.632 29 HD3 LYS 4 3HD LYS 4 3.602 1.118 -8.053 30 HE2 LYS 4 2HE LYS 4 3.264 2.792 -6.354 31 HE3 LYS 4 3HE LYS 4 4.788 3.576 -6.769 32 HZ1 LYS 4 1HZ LYS 4 2.229 3.937 -7.923 33 HZ2 LYS 4 2HZ LYS 4 3.327 3.441 -9.110 34 HZ3 LYS 4 3HZ LYS 4 3.649 4.820 -8.184 35 HA PRO 5 HA PRO 5 10.342 -3.241 -7.605 36 HB2 PRO 5 2HB PRO 5 9.895 -5.785 -6.769 37 HB3 PRO 5 3HB PRO 5 10.563 -4.531 -5.717 38 HG2 PRO 5 2HG PRO 5 7.750 -5.536 -5.916 39 HG3 PRO 5 3HG PRO 5 8.703 -5.159 -4.469 40 HD2 PRO 5 2HD PRO 5 6.848 -3.462 -5.474 41 HD3 PRO 5 3HD PRO 5 8.314 -2.894 -4.650 42 H VAL 6 H VAL 6 7.216 -4.957 -7.725 43 HA VAL 6 HA VAL 6 7.876 -5.899 -10.423 44 HB VAL 6 HB VAL 6 7.143 -7.614 -8.835 45 HG11 VAL 6 1HG1 VAL 6 5.402 -5.695 -7.912 46 HG12 VAL 6 2HG1 VAL 6 4.342 -6.825 -8.756 47 HG13 VAL 6 3HG1 VAL 6 5.394 -7.400 -7.463 48 HG21 VAL 6 1HG2 VAL 6 5.776 -8.753 -10.308 49 HG22 VAL 6 2HG2 VAL 6 4.871 -7.307 -10.753 50 HG23 VAL 6 3HG2 VAL 6 6.510 -7.542 -11.360 51 HA PRO 7 HA PRO 7 5.227 -2.550 -11.822 52 HB2 PRO 7 2HB PRO 7 5.806 -2.884 -14.453 53 HB3 PRO 7 3HB PRO 7 6.883 -2.042 -13.332 54 HG2 PRO 7 2HG PRO 7 7.017 -4.861 -14.331 55 HG3 PRO 7 3HG PRO 7 8.327 -3.684 -14.125 56 HD2 PRO 7 2HD PRO 7 7.848 -5.658 -12.336 57 HD3 PRO 7 3HD PRO 7 8.490 -4.073 -11.859 58 H ILE 8 H ILE 8 3.657 -2.485 -13.822 59 HA ILE 8 HA ILE 8 2.124 -5.002 -13.793 60 HB ILE 8 HB ILE 8 0.194 -3.395 -14.477 61 HG12 ILE 8 2HG1 ILE 8 2.056 -1.475 -13.062 62 HG13 ILE 8 3HG1 ILE 8 1.666 -1.424 -14.777 63 HG21 ILE 8 1HG2 ILE 8 1.233 -3.301 -11.651 64 HG22 ILE 8 2HG2 ILE 8 -0.442 -3.151 -12.180 65 HG23 ILE 8 3HG2 ILE 8 0.405 -4.687 -12.360 66 HD11 ILE 8 1HD1 ILE 8 -0.561 -0.805 -14.352 67 HD12 ILE 8 2HD1 ILE 8 -0.428 -1.211 -12.641 68 HD13 ILE 8 3HD1 ILE 8 0.431 0.188 -13.285 69 H ILE 9 H ILE 9 1.937 -6.041 -15.658 70 HA ILE 9 HA ILE 9 1.998 -4.518 -18.164 71 HB ILE 9 HB ILE 9 3.967 -5.336 -18.778 72 HG12 ILE 9 2HG1 ILE 9 4.192 -7.889 -19.012 73 HG13 ILE 9 3HG1 ILE 9 2.532 -7.963 -18.429 74 HG21 ILE 9 1HG2 ILE 9 4.539 -5.401 -16.410 75 HG22 ILE 9 2HG2 ILE 9 3.905 -7.041 -16.292 76 HG23 ILE 9 3HG2 ILE 9 5.326 -6.715 -17.284 77 HD11 ILE 9 1HD1 ILE 9 2.378 -6.104 -20.431 78 HD12 ILE 9 2HD1 ILE 9 3.565 -7.253 -21.050 79 HD13 ILE 9 3HD1 ILE 9 1.962 -7.812 -20.571 80 H TYR 10 H TYR 10 0.610 -5.226 -19.698 81 HA TYR 10 HA TYR 10 -0.915 -7.673 -19.086 82 HB2 TYR 10 2HB TYR 10 -2.872 -6.652 -19.719 83 HB3 TYR 10 3HB TYR 10 -2.000 -5.254 -19.100 84 HD1 TYR 10 HD1 TYR 10 -3.489 -6.804 -22.007 85 HD2 TYR 10 HD2 TYR 10 -0.910 -3.680 -20.705 86 HE1 TYR 10 HE1 TYR 10 -3.761 -5.682 -24.179 87 HE2 TYR 10 HE2 TYR 10 -1.176 -2.549 -22.873 88 HH TYR 10 HH TYR 10 -2.400 -4.024 -25.577 89 H CYS 11 H CYS 11 -1.558 -9.008 -20.818 90 HA CYS 11 HA CYS 11 -0.442 -8.464 -23.455 91 HB2 CYS 11 2HB CYS 11 1.287 -9.712 -22.083 92 HB3 CYS 11 3HB CYS 11 0.165 -11.068 -22.052 93 H ASN 12 H ASN 12 -1.778 -9.109 -25.024 94 HA ASN 12 HA ASN 12 -4.027 -10.850 -24.274 95 HB2 ASN 12 2HB ASN 12 -3.835 -8.402 -25.802 96 HB3 ASN 12 3HB ASN 12 -4.573 -9.678 -26.767 97 HD21 ASN 12 1HD2 ASN 12 -5.327 -7.180 -24.928 98 HD22 ASN 12 2HD2 ASN 12 -6.808 -7.722 -24.222 99 H ARG 13 H ARG 13 -2.933 -12.815 -24.609 100 HA ARG 13 HA ARG 13 -1.468 -13.522 -26.874 101 HB2 ARG 13 2HB ARG 13 -3.037 -15.105 -24.862 102 HB3 ARG 13 3HB ARG 13 -2.291 -15.906 -26.238 103 HG2 ARG 13 2HG ARG 13 -0.181 -15.599 -25.453 104 HG3 ARG 13 3HG ARG 13 -0.590 -14.096 -24.624 105 HD2 ARG 13 2HD ARG 13 -0.722 -15.227 -22.718 106 HD3 ARG 13 3HD ARG 13 -2.087 -16.124 -23.380 107 HE ARG 13 HE ARG 13 -0.724 -17.940 -23.585 108 HH11 ARG 13 1HH1 ARG 13 1.253 -15.086 -23.333 109 HH12 ARG 13 2HH1 ARG 13 2.744 -15.966 -23.264 110 HH21 ARG 13 1HH2 ARG 13 1.232 -19.110 -23.495 111 HH22 ARG 13 2HH2 ARG 13 2.731 -18.255 -23.357 112 H ARG 14 H ARG 14 -4.801 -12.940 -26.544 113 HA ARG 14 HA ARG 14 -5.780 -14.679 -28.567 114 HB2 ARG 14 2HB ARG 14 -6.949 -12.092 -27.527 115 HB3 ARG 14 3HB ARG 14 -7.803 -13.287 -28.493 116 HG2 ARG 14 2HG ARG 14 -6.717 -13.671 -25.712 117 HG3 ARG 14 3HG ARG 14 -8.413 -13.513 -26.174 118 HD2 ARG 14 2HD ARG 14 -8.092 -15.566 -27.603 119 HD3 ARG 14 3HD ARG 14 -6.519 -15.760 -26.830 120 HE ARG 14 HE ARG 14 -8.424 -15.520 -24.814 121 HH11 ARG 14 1HH1 ARG 14 -7.601 -17.716 -27.387 122 HH12 ARG 14 2HH1 ARG 14 -8.218 -19.113 -26.568 123 HH21 ARG 14 1HH2 ARG 14 -9.239 -17.351 -23.725 124 HH22 ARG 14 2HH2 ARG 14 -9.150 -18.904 -24.486 125 H THR 15 H THR 15 -4.361 -11.492 -28.573 126 HA THR 15 HA THR 15 -4.514 -11.486 -31.512 127 HB THR 15 HB THR 15 -6.119 -9.843 -30.800 128 HG1 THR 15 HG1 THR 15 -5.355 -8.344 -32.119 129 HG21 THR 15 1HG2 THR 15 -5.399 -7.903 -29.394 130 HG22 THR 15 2HG2 THR 15 -3.895 -8.766 -29.068 131 HG23 THR 15 3HG2 THR 15 -5.434 -9.442 -28.535 132 H GLY 16 H GLY 16 -2.496 -11.900 -29.092 133 HA2 GLY 16 2HA GLY 16 -0.246 -11.588 -28.754 134 HA3 GLY 16 3HA GLY 16 -0.157 -11.400 -30.499 135 H LYS 17 H LYS 17 -1.024 -9.582 -27.566 136 HA LYS 17 HA LYS 17 0.615 -7.366 -28.437 137 HB2 LYS 17 2HB LYS 17 -2.385 -7.154 -28.247 138 HB3 LYS 17 3HB LYS 17 -1.339 -5.750 -28.090 139 HG2 LYS 17 2HG LYS 17 -0.411 -6.249 -30.331 140 HG3 LYS 17 3HG LYS 17 -1.580 -7.563 -30.482 141 HD2 LYS 17 2HD LYS 17 -3.357 -5.778 -30.001 142 HD3 LYS 17 3HD LYS 17 -2.083 -4.604 -30.343 143 HE2 LYS 17 2HE LYS 17 -2.455 -6.786 -32.307 144 HE3 LYS 17 3HE LYS 17 -3.729 -5.571 -32.221 145 HZ1 LYS 17 1HZ LYS 17 -1.489 -5.327 -33.677 146 HZ2 LYS 17 2HZ LYS 17 -1.047 -4.500 -32.269 147 HZ3 LYS 17 3HZ LYS 17 -2.419 -4.022 -33.135 148 H CYS 18 H CYS 18 1.726 -6.851 -26.681 149 HA CYS 18 HA CYS 18 0.322 -6.784 -24.094 150 HB2 CYS 18 2HB CYS 18 3.218 -7.414 -24.068 151 HB3 CYS 18 3HB CYS 18 1.925 -8.011 -23.033 152 H GLN 19 H GLN 19 1.672 -5.516 -22.435 153 HA GLN 19 HA GLN 19 3.544 -3.592 -23.201 154 HB2 GLN 19 2HB GLN 19 2.254 -2.184 -24.389 155 HB3 GLN 19 3HB GLN 19 0.764 -2.918 -23.810 156 HG2 GLN 19 2HG GLN 19 0.931 -1.632 -21.742 157 HG3 GLN 19 3HG GLN 19 2.425 -0.897 -22.321 158 HE21 GLN 19 1HE2 GLN 19 -0.168 0.292 -21.585 159 HE22 GLN 19 2HE2 GLN 19 -0.668 1.202 -22.965 160 H ARG 20 H ARG 20 4.019 -2.058 -21.509 161 HA ARG 20 HA ARG 20 3.001 -2.966 -18.904 162 HB2 ARG 20 2HB ARG 20 5.646 -2.212 -19.898 163 HB3 ARG 20 3HB ARG 20 5.229 -1.423 -18.383 164 HG2 ARG 20 2HG ARG 20 4.557 -3.821 -17.632 165 HG3 ARG 20 3HG ARG 20 5.593 -4.324 -18.969 166 HD2 ARG 20 2HD ARG 20 7.165 -2.475 -17.759 167 HD3 ARG 20 3HD ARG 20 6.290 -3.129 -16.375 168 HE ARG 20 HE ARG 20 7.451 -5.091 -16.608 169 HH11 ARG 20 1HH1 ARG 20 7.834 -3.179 -19.492 170 HH12 ARG 20 2HH1 ARG 20 9.043 -4.215 -20.175 171 HH21 ARG 20 1HH2 ARG 20 9.043 -6.462 -17.496 172 HH22 ARG 20 2HH2 ARG 20 9.729 -6.082 -19.039 173 H PHE 21 H PHE 21 2.188 -1.538 -17.429 174 HA PHE 21 HA PHE 21 1.510 1.108 -18.464 175 HB2 PHE 21 2HB PHE 21 0.504 -0.234 -15.949 176 HB3 PHE 21 3HB PHE 21 -0.172 1.188 -16.735 177 HD1 PHE 21 HD1 PHE 21 0.640 -2.370 -17.502 178 HD2 PHE 21 HD2 PHE 21 -2.012 0.909 -18.078 179 HE1 PHE 21 HE1 PHE 21 -0.857 -3.816 -18.815 180 HE2 PHE 21 HE2 PHE 21 -3.514 -0.532 -19.390 181 HZ PHE 21 HZ PHE 21 -2.938 -2.898 -19.760 Start of MODEL 17 1 H1 GLY 1 H GLY 1 0.025 1.502 -1.796 2 HA2 GLY 1 2HA GLY 1 1.469 0.241 0.421 3 HA3 GLY 1 3HA GLY 1 1.799 0.013 -1.290 4 H SER 2 H SER 2 4.026 0.388 -0.880 5 HA SER 2 HA SER 2 4.663 3.246 -0.589 6 HB2 SER 2 2HB SER 2 6.915 1.893 0.338 7 HB3 SER 2 3HB SER 2 5.736 2.758 1.324 8 HG SER 2 HG SER 2 5.394 0.056 0.554 9 H LYS 3 H LYS 3 6.413 0.229 -1.332 10 HA LYS 3 HA LYS 3 7.634 1.584 -3.629 11 HB2 LYS 3 2HB LYS 3 9.278 -0.249 -3.588 12 HB3 LYS 3 3HB LYS 3 9.199 0.597 -2.048 13 HG2 LYS 3 2HG LYS 3 8.275 -1.186 -0.956 14 HG3 LYS 3 3HG LYS 3 7.535 -1.840 -2.419 15 HD2 LYS 3 2HD LYS 3 9.296 -3.147 -2.812 16 HD3 LYS 3 3HD LYS 3 10.415 -1.793 -2.638 17 HE2 LYS 3 2HE LYS 3 11.119 -3.078 -0.893 18 HE3 LYS 3 3HE LYS 3 9.865 -2.149 -0.072 19 HZ1 LYS 3 1HZ LYS 3 9.452 -4.837 -1.262 20 HZ2 LYS 3 2HZ LYS 3 8.340 -3.960 -0.338 21 HZ3 LYS 3 3HZ LYS 3 9.753 -4.553 0.379 22 H LYS 4 H LYS 4 7.840 0.449 -5.653 23 HA LYS 4 HA LYS 4 5.709 -1.541 -6.086 24 HB2 LYS 4 2HB LYS 4 6.623 0.593 -8.023 25 HB3 LYS 4 3HB LYS 4 5.351 -0.588 -8.307 26 HG2 LYS 4 2HG LYS 4 3.853 0.752 -7.388 27 HG3 LYS 4 3HG LYS 4 4.789 0.829 -5.893 28 HD2 LYS 4 2HD LYS 4 4.517 3.062 -6.704 29 HD3 LYS 4 3HD LYS 4 6.200 2.596 -6.962 30 HE2 LYS 4 2HE LYS 4 6.003 2.639 -9.213 31 HE3 LYS 4 3HE LYS 4 4.352 2.019 -9.186 32 HZ1 LYS 4 1HZ LYS 4 4.573 4.349 -9.981 33 HZ2 LYS 4 2HZ LYS 4 5.076 4.795 -8.429 34 HZ3 LYS 4 3HZ LYS 4 3.522 4.169 -8.667 35 HA PRO 5 HA PRO 5 9.736 -3.452 -7.298 36 HB2 PRO 5 2HB PRO 5 9.119 -5.902 -6.307 37 HB3 PRO 5 3HB PRO 5 9.818 -4.614 -5.318 38 HG2 PRO 5 2HG PRO 5 6.963 -5.481 -5.557 39 HG3 PRO 5 3HG PRO 5 7.885 -5.053 -4.103 40 HD2 PRO 5 2HD PRO 5 6.162 -3.336 -5.294 41 HD3 PRO 5 3HD PRO 5 7.628 -2.790 -4.454 42 H VAL 6 H VAL 6 6.486 -4.900 -7.465 43 HA VAL 6 HA VAL 6 7.201 -6.151 -10.020 44 HB VAL 6 HB VAL 6 6.199 -7.629 -8.344 45 HG11 VAL 6 1HG1 VAL 6 3.502 -6.525 -8.537 46 HG12 VAL 6 2HG1 VAL 6 4.381 -7.135 -7.134 47 HG13 VAL 6 3HG1 VAL 6 4.635 -5.478 -7.684 48 HG21 VAL 6 1HG2 VAL 6 5.557 -7.473 -10.988 49 HG22 VAL 6 2HG2 VAL 6 5.103 -8.798 -9.916 50 HG23 VAL 6 3HG2 VAL 6 3.963 -7.491 -10.233 51 HA PRO 7 HA PRO 7 5.008 -2.698 -11.881 52 HB2 PRO 7 2HB PRO 7 5.703 -3.331 -14.427 53 HB3 PRO 7 3HB PRO 7 6.795 -2.501 -13.312 54 HG2 PRO 7 2HG PRO 7 6.689 -5.399 -14.053 55 HG3 PRO 7 3HG PRO 7 8.101 -4.345 -13.860 56 HD2 PRO 7 2HD PRO 7 7.312 -6.087 -11.944 57 HD3 PRO 7 3HD PRO 7 8.089 -4.537 -11.563 58 H ILE 8 H ILE 8 3.524 -2.626 -13.905 59 HA ILE 8 HA ILE 8 1.778 -4.998 -13.826 60 HB ILE 8 HB ILE 8 0.029 -3.260 -14.673 61 HG12 ILE 8 2HG1 ILE 8 1.661 -1.350 -13.043 62 HG13 ILE 8 3HG1 ILE 8 2.007 -1.529 -14.759 63 HG21 ILE 8 1HG2 ILE 8 -0.213 -4.410 -12.587 64 HG22 ILE 8 2HG2 ILE 8 1.015 -3.397 -11.830 65 HG23 ILE 8 3HG2 ILE 8 -0.530 -2.697 -12.310 66 HD11 ILE 8 1HD1 ILE 8 -0.626 -0.721 -13.549 67 HD12 ILE 8 2HD1 ILE 8 0.517 0.332 -14.383 68 HD13 ILE 8 3HD1 ILE 8 -0.317 -0.943 -15.271 69 H ILE 9 H ILE 9 1.596 -6.114 -15.646 70 HA ILE 9 HA ILE 9 1.839 -4.727 -18.216 71 HB ILE 9 HB ILE 9 3.713 -5.742 -18.841 72 HG12 ILE 9 2HG1 ILE 9 3.919 -8.312 -18.545 73 HG13 ILE 9 3HG1 ILE 9 2.248 -8.229 -17.997 74 HG21 ILE 9 1HG2 ILE 9 4.288 -5.374 -16.468 75 HG22 ILE 9 2HG2 ILE 9 3.765 -7.020 -16.111 76 HG23 ILE 9 3HG2 ILE 9 5.145 -6.744 -17.174 77 HD11 ILE 9 1HD1 ILE 9 2.243 -6.782 -20.347 78 HD12 ILE 9 2HD1 ILE 9 3.328 -8.134 -20.675 79 HD13 ILE 9 3HD1 ILE 9 1.680 -8.439 -20.127 80 H TYR 10 H TYR 10 0.541 -5.510 -19.815 81 HA TYR 10 HA TYR 10 -1.189 -7.783 -19.093 82 HB2 TYR 10 2HB TYR 10 -3.012 -6.719 -20.018 83 HB3 TYR 10 3HB TYR 10 -2.106 -5.331 -19.425 84 HD1 TYR 10 HD1 TYR 10 -3.384 -7.048 -22.347 85 HD2 TYR 10 HD2 TYR 10 -0.798 -3.942 -21.021 86 HE1 TYR 10 HE1 TYR 10 -3.372 -6.098 -24.616 87 HE2 TYR 10 HE2 TYR 10 -0.779 -2.982 -23.285 88 HH TYR 10 HH TYR 10 -2.316 -4.624 -25.989 89 H CYS 11 H CYS 11 -1.799 -9.250 -20.729 90 HA CYS 11 HA CYS 11 -0.479 -9.065 -23.315 91 HB2 CYS 11 2HB CYS 11 1.080 -10.230 -21.660 92 HB3 CYS 11 3HB CYS 11 -0.094 -11.543 -21.641 93 H ASN 12 H ASN 12 -1.877 -9.648 -24.833 94 HA ASN 12 HA ASN 12 -4.052 -11.495 -24.098 95 HB2 ASN 12 2HB ASN 12 -4.083 -8.896 -25.389 96 HB3 ASN 12 3HB ASN 12 -4.859 -10.119 -26.392 97 HD21 ASN 12 1HD2 ASN 12 -5.418 -7.870 -24.110 98 HD22 ASN 12 2HD2 ASN 12 -6.849 -8.517 -23.390 99 H ARG 13 H ARG 13 -2.827 -13.326 -24.712 100 HA ARG 13 HA ARG 13 -1.551 -13.655 -27.187 101 HB2 ARG 13 2HB ARG 13 -2.739 -15.644 -25.256 102 HB3 ARG 13 3HB ARG 13 -1.880 -16.133 -26.710 103 HG2 ARG 13 2HG ARG 13 -0.550 -14.251 -24.828 104 HG3 ARG 13 3HG ARG 13 -0.653 -15.961 -24.403 105 HD2 ARG 13 2HD ARG 13 0.449 -14.928 -27.011 106 HD3 ARG 13 3HD ARG 13 1.439 -15.315 -25.604 107 HE ARG 13 HE ARG 13 -0.230 -17.497 -26.360 108 HH11 ARG 13 1HH1 ARG 13 2.726 -15.834 -27.144 109 HH12 ARG 13 2HH1 ARG 13 3.473 -17.226 -27.855 110 HH21 ARG 13 1HH2 ARG 13 0.743 -19.337 -27.293 111 HH22 ARG 13 2HH2 ARG 13 2.345 -19.217 -27.940 112 H ARG 14 H ARG 14 -4.849 -13.464 -26.429 113 HA ARG 14 HA ARG 14 -5.883 -15.155 -28.476 114 HB2 ARG 14 2HB ARG 14 -7.072 -12.949 -26.808 115 HB3 ARG 14 3HB ARG 14 -7.996 -13.755 -28.069 116 HG2 ARG 14 2HG ARG 14 -8.475 -15.425 -26.702 117 HG3 ARG 14 3HG ARG 14 -6.760 -15.722 -26.409 118 HD2 ARG 14 2HD ARG 14 -7.962 -13.403 -25.024 119 HD3 ARG 14 3HD ARG 14 -8.482 -14.999 -24.485 120 HE ARG 14 HE ARG 14 -5.672 -14.929 -24.670 121 HH11 ARG 14 1HH1 ARG 14 -8.291 -13.698 -22.735 122 HH12 ARG 14 2HH1 ARG 14 -7.342 -13.584 -21.290 123 HH21 ARG 14 1HH2 ARG 14 -4.412 -14.784 -22.774 124 HH22 ARG 14 2HH2 ARG 14 -5.136 -14.201 -21.313 125 H THR 15 H THR 15 -4.895 -11.805 -28.311 126 HA THR 15 HA THR 15 -5.507 -11.539 -31.183 127 HB THR 15 HB THR 15 -7.008 -10.078 -29.996 128 HG1 THR 15 HG1 THR 15 -6.532 -8.307 -31.156 129 HG21 THR 15 1HG2 THR 15 -5.894 -8.164 -28.640 130 HG22 THR 15 2HG2 THR 15 -4.534 -9.278 -28.507 131 HG23 THR 15 3HG2 THR 15 -6.115 -9.738 -27.877 132 H GLY 16 H GLY 16 -3.059 -12.064 -29.203 133 HA2 GLY 16 2HA GLY 16 -0.796 -11.687 -29.273 134 HA3 GLY 16 3HA GLY 16 -1.048 -11.270 -30.962 135 H LYS 17 H LYS 17 -1.513 -9.873 -27.717 136 HA LYS 17 HA LYS 17 -0.082 -7.492 -28.518 137 HB2 LYS 17 2HB LYS 17 -3.029 -7.455 -27.891 138 HB3 LYS 17 3HB LYS 17 -2.018 -6.029 -27.701 139 HG2 LYS 17 2HG LYS 17 -1.408 -6.190 -30.089 140 HG3 LYS 17 3HG LYS 17 -2.523 -7.548 -30.251 141 HD2 LYS 17 2HD LYS 17 -4.354 -6.220 -30.186 142 HD3 LYS 17 3HD LYS 17 -3.634 -5.105 -29.023 143 HE2 LYS 17 2HE LYS 17 -2.726 -3.794 -30.638 144 HE3 LYS 17 3HE LYS 17 -2.455 -5.147 -31.736 145 HZ1 LYS 17 1HZ LYS 17 -4.953 -5.166 -32.021 146 HZ2 LYS 17 2HZ LYS 17 -4.128 -3.864 -32.719 147 HZ3 LYS 17 3HZ LYS 17 -4.965 -3.653 -31.264 148 H CYS 18 H CYS 18 1.267 -7.179 -26.884 149 HA CYS 18 HA CYS 18 0.225 -7.299 -24.145 150 HB2 CYS 18 2HB CYS 18 2.957 -8.382 -24.776 151 HB3 CYS 18 3HB CYS 18 1.970 -8.647 -23.343 152 H GLN 19 H GLN 19 1.664 -6.207 -22.575 153 HA GLN 19 HA GLN 19 3.817 -4.587 -23.275 154 HB2 GLN 19 2HB GLN 19 2.753 -3.041 -24.537 155 HB3 GLN 19 3HB GLN 19 1.171 -3.459 -23.895 156 HG2 GLN 19 2HG GLN 19 1.659 -2.173 -21.871 157 HG3 GLN 19 3HG GLN 19 3.233 -1.739 -22.536 158 HE21 GLN 19 1HE2 GLN 19 2.023 0.382 -21.939 159 HE22 GLN 19 2HE2 GLN 19 1.211 1.147 -23.258 160 H ARG 20 H ARG 20 4.448 -3.108 -21.566 161 HA ARG 20 HA ARG 20 3.126 -3.744 -19.010 162 HB2 ARG 20 2HB ARG 20 5.099 -4.403 -18.206 163 HB3 ARG 20 3HB ARG 20 5.796 -4.173 -19.804 164 HG2 ARG 20 2HG ARG 20 6.415 -1.914 -19.268 165 HG3 ARG 20 3HG ARG 20 5.583 -2.018 -17.715 166 HD2 ARG 20 2HD ARG 20 7.253 -3.191 -16.749 167 HD3 ARG 20 3HD ARG 20 7.605 -4.098 -18.220 168 HE ARG 20 HE ARG 20 8.408 -1.422 -18.553 169 HH11 ARG 20 1HH1 ARG 20 9.286 -4.309 -16.818 170 HH12 ARG 20 2HH1 ARG 20 10.967 -3.901 -16.727 171 HH21 ARG 20 1HH2 ARG 20 10.619 -0.872 -18.440 172 HH22 ARG 20 2HH2 ARG 20 11.724 -1.945 -17.650 173 H PHE 21 H PHE 21 2.383 -2.096 -17.834 174 HA PHE 21 HA PHE 21 2.858 0.616 -18.800 175 HB2 PHE 21 2HB PHE 21 0.902 -0.441 -16.748 176 HB3 PHE 21 3HB PHE 21 0.993 1.232 -17.289 177 HD1 PHE 21 HD1 PHE 21 1.325 -1.795 -19.390 178 HD2 PHE 21 HD2 PHE 21 -1.119 1.503 -18.265 179 HE1 PHE 21 HE1 PHE 21 -0.218 -2.314 -21.235 180 HE2 PHE 21 HE2 PHE 21 -2.666 0.990 -20.108 181 HZ PHE 21 HZ PHE 21 -2.217 -0.921 -21.596 Start of MODEL 18 1 H1 GLY 1 H GLY 1 0.175 2.888 0.101 2 HA2 GLY 1 2HA GLY 1 1.605 1.107 -1.775 3 HA3 GLY 1 3HA GLY 1 1.222 2.786 -2.127 4 H SER 2 H SER 2 3.678 0.806 -1.353 5 HA SER 2 HA SER 2 5.212 3.007 -0.155 6 HB2 SER 2 2HB SER 2 6.447 0.851 0.951 7 HB3 SER 2 3HB SER 2 5.201 1.796 1.766 8 HG SER 2 HG SER 2 3.718 0.266 1.305 9 H LYS 3 H LYS 3 5.640 -0.294 -1.444 10 HA LYS 3 HA LYS 3 7.702 0.767 -3.250 11 HB2 LYS 3 2HB LYS 3 7.900 -1.662 -1.473 12 HB3 LYS 3 3HB LYS 3 8.946 -1.421 -2.866 13 HG2 LYS 3 2HG LYS 3 9.900 0.540 -1.907 14 HG3 LYS 3 3HG LYS 3 8.713 0.545 -0.601 15 HD2 LYS 3 2HD LYS 3 9.651 -1.395 0.382 16 HD3 LYS 3 3HD LYS 3 10.633 -1.730 -1.045 17 HE2 LYS 3 2HE LYS 3 11.998 0.204 -0.622 18 HE3 LYS 3 3HE LYS 3 10.946 0.709 0.700 19 HZ1 LYS 3 1HZ LYS 3 12.512 -1.813 0.667 20 HZ2 LYS 3 2HZ LYS 3 11.598 -1.211 1.956 21 HZ3 LYS 3 3HZ LYS 3 12.993 -0.396 1.456 22 H LYS 4 H LYS 4 7.488 0.133 -5.304 23 HA LYS 4 HA LYS 4 5.617 -2.073 -5.872 24 HB2 LYS 4 2HB LYS 4 5.271 -0.905 -8.082 25 HB3 LYS 4 3HB LYS 4 4.651 -0.051 -6.675 26 HG2 LYS 4 2HG LYS 4 7.382 0.700 -7.290 27 HG3 LYS 4 3HG LYS 4 6.284 0.986 -8.642 28 HD2 LYS 4 2HD LYS 4 5.022 2.513 -7.466 29 HD3 LYS 4 3HD LYS 4 5.465 1.832 -5.899 30 HE2 LYS 4 2HE LYS 4 7.118 3.301 -5.685 31 HE3 LYS 4 3HE LYS 4 7.814 2.792 -7.222 32 HZ1 LYS 4 1HZ LYS 4 7.368 4.982 -7.632 33 HZ2 LYS 4 2HZ LYS 4 5.985 5.017 -6.659 34 HZ3 LYS 4 3HZ LYS 4 5.929 4.284 -8.183 35 HA PRO 5 HA PRO 5 9.762 -3.447 -7.379 36 HB2 PRO 5 2HB PRO 5 9.421 -6.031 -6.622 37 HB3 PRO 5 3HB PRO 5 10.029 -4.783 -5.529 38 HG2 PRO 5 2HG PRO 5 7.263 -5.901 -5.776 39 HG3 PRO 5 3HG PRO 5 8.192 -5.528 -4.312 40 HD2 PRO 5 2HD PRO 5 6.270 -3.883 -5.277 41 HD3 PRO 5 3HD PRO 5 7.706 -3.278 -4.426 42 H VAL 6 H VAL 6 6.659 -5.181 -7.604 43 HA VAL 6 HA VAL 6 7.398 -6.105 -10.288 44 HB VAL 6 HB VAL 6 6.597 -7.827 -8.742 45 HG11 VAL 6 1HG1 VAL 6 4.840 -5.895 -7.865 46 HG12 VAL 6 2HG1 VAL 6 3.802 -7.019 -8.745 47 HG13 VAL 6 3HG1 VAL 6 4.811 -7.602 -7.421 48 HG21 VAL 6 1HG2 VAL 6 4.293 -7.728 -10.546 49 HG22 VAL 6 2HG2 VAL 6 5.847 -7.475 -11.343 50 HG23 VAL 6 3HG2 VAL 6 5.568 -8.938 -10.398 51 HA PRO 7 HA PRO 7 4.831 -2.716 -11.741 52 HB2 PRO 7 2HB PRO 7 5.494 -3.030 -14.355 53 HB3 PRO 7 3HB PRO 7 6.541 -2.211 -13.190 54 HG2 PRO 7 2HG PRO 7 6.680 -5.021 -14.212 55 HG3 PRO 7 3HG PRO 7 7.994 -3.859 -13.952 56 HD2 PRO 7 2HD PRO 7 7.437 -5.846 -12.198 57 HD3 PRO 7 3HD PRO 7 8.078 -4.272 -11.686 58 H ILE 8 H ILE 8 3.336 -2.620 -13.802 59 HA ILE 8 HA ILE 8 1.773 -5.118 -13.841 60 HB ILE 8 HB ILE 8 -0.107 -3.472 -14.592 61 HG12 ILE 8 2HG1 ILE 8 1.376 -1.534 -12.859 62 HG13 ILE 8 3HG1 ILE 8 1.745 -1.598 -14.579 63 HG21 ILE 8 1HG2 ILE 8 -0.253 -4.747 -12.572 64 HG22 ILE 8 2HG2 ILE 8 0.903 -3.691 -11.763 65 HG23 ILE 8 3HG2 ILE 8 -0.692 -3.080 -12.201 66 HD11 ILE 8 1HD1 ILE 8 0.124 0.123 -14.149 67 HD12 ILE 8 2HD1 ILE 8 -0.630 -1.179 -15.069 68 HD13 ILE 8 3HD1 ILE 8 -0.935 -1.030 -13.338 69 H ILE 9 H ILE 9 1.663 -6.148 -15.716 70 HA ILE 9 HA ILE 9 1.781 -4.615 -18.212 71 HB ILE 9 HB ILE 9 3.721 -5.452 -18.895 72 HG12 ILE 9 2HG1 ILE 9 4.124 -8.011 -18.731 73 HG13 ILE 9 3HG1 ILE 9 2.456 -8.083 -18.175 74 HG21 ILE 9 1HG2 ILE 9 5.241 -6.416 -17.290 75 HG22 ILE 9 2HG2 ILE 9 4.279 -5.164 -16.505 76 HG23 ILE 9 3HG2 ILE 9 3.899 -6.866 -16.239 77 HD11 ILE 9 1HD1 ILE 9 1.892 -8.228 -20.312 78 HD12 ILE 9 2HD1 ILE 9 2.327 -6.524 -20.448 79 HD13 ILE 9 3HD1 ILE 9 3.509 -7.770 -20.847 80 H TYR 10 H TYR 10 0.537 -5.413 -19.846 81 HA TYR 10 HA TYR 10 -1.012 -7.844 -19.237 82 HB2 TYR 10 2HB TYR 10 -2.916 -6.875 -20.101 83 HB3 TYR 10 3HB TYR 10 -2.113 -5.454 -19.441 84 HD1 TYR 10 HD1 TYR 10 -3.279 -7.113 -22.443 85 HD2 TYR 10 HD2 TYR 10 -0.924 -3.891 -20.967 86 HE1 TYR 10 HE1 TYR 10 -3.354 -6.051 -24.660 87 HE2 TYR 10 HE2 TYR 10 -0.994 -2.819 -23.180 88 HH TYR 10 HH TYR 10 -2.764 -2.985 -25.251 89 H CYS 11 H CYS 11 -1.521 -9.267 -20.945 90 HA CYS 11 HA CYS 11 -0.236 -8.851 -23.522 91 HB2 CYS 11 2HB CYS 11 1.419 -9.977 -21.935 92 HB3 CYS 11 3HB CYS 11 0.348 -11.374 -21.977 93 H ASN 12 H ASN 12 -1.588 -9.469 -25.067 94 HA ASN 12 HA ASN 12 -3.615 -11.508 -24.421 95 HB2 ASN 12 2HB ASN 12 -3.851 -8.857 -25.580 96 HB3 ASN 12 3HB ASN 12 -4.539 -10.085 -26.639 97 HD21 ASN 12 1HD2 ASN 12 -5.249 -8.000 -24.246 98 HD22 ASN 12 2HD2 ASN 12 -6.622 -8.788 -23.554 99 H ARG 13 H ARG 13 -2.260 -13.208 -25.129 100 HA ARG 13 HA ARG 13 -0.976 -13.315 -27.620 101 HB2 ARG 13 2HB ARG 13 -0.725 -15.660 -27.238 102 HB3 ARG 13 3HB ARG 13 -0.587 -14.858 -25.679 103 HG2 ARG 13 2HG ARG 13 -3.075 -15.389 -25.397 104 HG3 ARG 13 3HG ARG 13 -2.850 -16.503 -26.747 105 HD2 ARG 13 2HD ARG 13 -0.933 -16.625 -24.476 106 HD3 ARG 13 3HD ARG 13 -2.552 -17.280 -24.237 107 HE ARG 13 HE ARG 13 -1.443 -18.264 -26.643 108 HH11 ARG 13 1HH1 ARG 13 -1.193 -18.586 -23.186 109 HH12 ARG 13 2HH1 ARG 13 -0.632 -20.224 -23.248 110 HH21 ARG 13 1HH2 ARG 13 -0.704 -20.420 -26.738 111 HH22 ARG 13 2HH2 ARG 13 -0.353 -21.266 -25.269 112 H ARG 14 H ARG 14 -4.275 -13.411 -26.848 113 HA ARG 14 HA ARG 14 -5.190 -15.070 -28.976 114 HB2 ARG 14 2HB ARG 14 -6.659 -12.935 -27.417 115 HB3 ARG 14 3HB ARG 14 -7.408 -14.136 -28.462 116 HG2 ARG 14 2HG ARG 14 -5.751 -14.853 -26.059 117 HG3 ARG 14 3HG ARG 14 -7.499 -14.618 -26.001 118 HD2 ARG 14 2HD ARG 14 -6.702 -16.380 -28.162 119 HD3 ARG 14 3HD ARG 14 -6.162 -16.973 -26.592 120 HE ARG 14 HE ARG 14 -8.852 -16.869 -27.565 121 HH11 ARG 14 1HH1 ARG 14 -6.870 -16.800 -24.704 122 HH12 ARG 14 2HH1 ARG 14 -8.122 -17.396 -23.664 123 HH21 ARG 14 1HH2 ARG 14 -10.508 -17.655 -26.207 124 HH22 ARG 14 2HH2 ARG 14 -10.190 -17.883 -24.520 125 H THR 15 H THR 15 -4.458 -11.668 -28.642 126 HA THR 15 HA THR 15 -5.105 -11.302 -31.494 127 HB THR 15 HB THR 15 -6.706 -10.023 -30.229 128 HG1 THR 15 HG1 THR 15 -6.119 -7.906 -30.993 129 HG21 THR 15 1HG2 THR 15 -5.727 -8.098 -28.784 130 HG22 THR 15 2HG2 THR 15 -4.289 -9.116 -28.709 131 HG23 THR 15 3HG2 THR 15 -5.830 -9.719 -28.099 132 H GLY 16 H GLY 16 -2.613 -11.741 -29.550 133 HA2 GLY 16 2HA GLY 16 -0.386 -11.189 -29.605 134 HA3 GLY 16 3HA GLY 16 -0.678 -10.709 -31.270 135 H LYS 17 H LYS 17 -1.232 -9.516 -27.958 136 HA LYS 17 HA LYS 17 0.010 -6.995 -28.640 137 HB2 LYS 17 2HB LYS 17 -2.928 -7.214 -28.008 138 HB3 LYS 17 3HB LYS 17 -2.027 -5.727 -27.748 139 HG2 LYS 17 2HG LYS 17 -1.419 -5.718 -30.141 140 HG3 LYS 17 3HG LYS 17 -2.425 -7.150 -30.371 141 HD2 LYS 17 2HD LYS 17 -4.397 -5.981 -29.959 142 HD3 LYS 17 3HD LYS 17 -3.557 -4.666 -29.134 143 HE2 LYS 17 2HE LYS 17 -2.539 -4.829 -31.776 144 HE3 LYS 17 3HE LYS 17 -4.299 -4.870 -31.875 145 HZ1 LYS 17 1HZ LYS 17 -3.415 -2.908 -30.016 146 HZ2 LYS 17 2HZ LYS 17 -4.406 -2.726 -31.375 147 HZ3 LYS 17 3HZ LYS 17 -2.724 -2.646 -31.538 148 H CYS 18 H CYS 18 1.340 -6.661 -26.995 149 HA CYS 18 HA CYS 18 0.324 -6.998 -24.263 150 HB2 CYS 18 2HB CYS 18 3.127 -7.837 -24.949 151 HB3 CYS 18 3HB CYS 18 2.167 -8.250 -23.532 152 H GLN 19 H GLN 19 1.690 -5.882 -22.642 153 HA GLN 19 HA GLN 19 3.710 -4.070 -23.266 154 HB2 GLN 19 2HB GLN 19 2.523 -2.548 -24.444 155 HB3 GLN 19 3HB GLN 19 0.981 -3.116 -23.818 156 HG2 GLN 19 2HG GLN 19 1.386 -1.900 -21.733 157 HG3 GLN 19 3HG GLN 19 2.918 -1.316 -22.380 158 HE21 GLN 19 1HE2 GLN 19 2.371 -0.567 -24.870 159 HE22 GLN 19 2HE2 GLN 19 1.178 0.682 -24.906 160 H ARG 20 H ARG 20 4.239 -2.637 -21.485 161 HA ARG 20 HA ARG 20 2.986 -3.500 -18.961 162 HB2 ARG 20 2HB ARG 20 5.009 -4.046 -18.197 163 HB3 ARG 20 3HB ARG 20 5.676 -3.684 -19.784 164 HG2 ARG 20 2HG ARG 20 6.125 -1.414 -19.135 165 HG3 ARG 20 3HG ARG 20 5.314 -1.658 -17.587 166 HD2 ARG 20 2HD ARG 20 7.260 -2.285 -16.721 167 HD3 ARG 20 3HD ARG 20 7.242 -3.688 -17.788 168 HE ARG 20 HE ARG 20 8.214 -1.413 -19.161 169 HH11 ARG 20 1HH1 ARG 20 9.122 -3.755 -16.751 170 HH12 ARG 20 2HH1 ARG 20 10.818 -3.638 -17.088 171 HH21 ARG 20 1HH2 ARG 20 10.444 -1.250 -19.614 172 HH22 ARG 20 2HH2 ARG 20 11.568 -2.212 -18.716 173 H PHE 21 H PHE 21 2.128 -1.975 -17.700 174 HA PHE 21 HA PHE 21 2.389 0.810 -18.526 175 HB2 PHE 21 2HB PHE 21 0.532 -0.496 -16.526 176 HB3 PHE 21 3HB PHE 21 0.493 1.205 -16.981 177 HD1 PHE 21 HD1 PHE 21 -1.642 1.362 -17.934 178 HD2 PHE 21 HD2 PHE 21 1.040 -1.676 -19.238 179 HE1 PHE 21 HE1 PHE 21 -3.158 0.827 -19.797 180 HE2 PHE 21 HE2 PHE 21 -0.471 -2.215 -21.103 181 HZ PHE 21 HZ PHE 21 -2.573 -0.962 -21.385 Start of MODEL 19 1 H1 GLY 1 H GLY 1 1.048 0.252 -2.504 2 HA2 GLY 1 2HA GLY 1 0.502 0.532 -0.077 3 HA3 GLY 1 3HA GLY 1 1.717 -0.704 0.212 4 H SER 2 H SER 2 3.947 -0.186 -0.510 5 HA SER 2 HA SER 2 4.488 2.706 -0.376 6 HB2 SER 2 2HB SER 2 4.921 1.415 1.795 7 HB3 SER 2 3HB SER 2 6.253 0.641 0.938 8 HG SER 2 HG SER 2 6.644 2.684 2.209 9 H LYS 3 H LYS 3 6.000 -0.446 -1.069 10 HA LYS 3 HA LYS 3 7.568 0.857 -3.190 11 HB2 LYS 3 2HB LYS 3 8.045 -1.659 -1.598 12 HB3 LYS 3 3HB LYS 3 8.957 -1.273 -3.051 13 HG2 LYS 3 2HG LYS 3 10.280 0.133 -1.954 14 HG3 LYS 3 3HG LYS 3 8.910 0.945 -1.192 15 HD2 LYS 3 2HD LYS 3 8.887 -1.328 0.214 16 HD3 LYS 3 3HD LYS 3 10.602 -1.277 -0.200 17 HE2 LYS 3 2HE LYS 3 9.052 0.941 1.135 18 HE3 LYS 3 3HE LYS 3 10.130 -0.189 1.953 19 HZ1 LYS 3 1HZ LYS 3 10.761 2.155 0.413 20 HZ2 LYS 3 2HZ LYS 3 11.680 0.805 -0.026 21 HZ3 LYS 3 3HZ LYS 3 11.685 1.345 1.577 22 H LYS 4 H LYS 4 7.592 0.028 -5.263 23 HA LYS 4 HA LYS 4 5.528 -1.995 -5.842 24 HB2 LYS 4 2HB LYS 4 5.392 -0.881 -8.104 25 HB3 LYS 4 3HB LYS 4 4.792 0.074 -6.754 26 HG2 LYS 4 2HG LYS 4 6.278 1.689 -7.108 27 HG3 LYS 4 3HG LYS 4 7.609 0.542 -7.273 28 HD2 LYS 4 2HD LYS 4 7.208 0.240 -9.567 29 HD3 LYS 4 3HD LYS 4 5.597 0.954 -9.465 30 HE2 LYS 4 2HE LYS 4 6.519 3.136 -9.113 31 HE3 LYS 4 3HE LYS 4 8.147 2.479 -8.958 32 HZ1 LYS 4 1HZ LYS 4 7.723 3.479 -11.143 33 HZ2 LYS 4 2HZ LYS 4 6.500 2.346 -11.425 34 HZ3 LYS 4 3HZ LYS 4 8.104 1.834 -11.259 35 HA PRO 5 HA PRO 5 9.576 -3.814 -7.120 36 HB2 PRO 5 2HB PRO 5 8.955 -6.325 -6.296 37 HB3 PRO 5 3HB PRO 5 9.637 -5.101 -5.218 38 HG2 PRO 5 2HG PRO 5 6.787 -5.958 -5.549 39 HG3 PRO 5 3HG PRO 5 7.689 -5.622 -4.059 40 HD2 PRO 5 2HD PRO 5 5.977 -3.836 -5.160 41 HD3 PRO 5 3HD PRO 5 7.429 -3.341 -4.268 42 H VAL 6 H VAL 6 6.375 -5.370 -7.382 43 HA VAL 6 HA VAL 6 7.113 -6.358 -10.044 44 HB VAL 6 HB VAL 6 6.223 -8.026 -8.487 45 HG11 VAL 6 1HG1 VAL 6 4.542 -6.021 -7.646 46 HG12 VAL 6 2HG1 VAL 6 3.464 -7.093 -8.543 47 HG13 VAL 6 3HG1 VAL 6 4.421 -7.723 -7.202 48 HG21 VAL 6 1HG2 VAL 6 5.523 -7.678 -11.101 49 HG22 VAL 6 2HG2 VAL 6 5.175 -9.118 -10.143 50 HG23 VAL 6 3HG2 VAL 6 3.950 -7.862 -10.324 51 HA PRO 7 HA PRO 7 4.701 -2.889 -11.573 52 HB2 PRO 7 2HB PRO 7 5.386 -3.262 -14.174 53 HB3 PRO 7 3HB PRO 7 6.449 -2.470 -13.004 54 HG2 PRO 7 2HG PRO 7 6.491 -5.296 -13.990 55 HG3 PRO 7 3HG PRO 7 7.846 -4.183 -13.725 56 HD2 PRO 7 2HD PRO 7 7.188 -6.124 -11.956 57 HD3 PRO 7 3HD PRO 7 7.884 -4.570 -11.454 58 H ILE 8 H ILE 8 3.258 -2.772 -13.686 59 HA ILE 8 HA ILE 8 1.582 -5.196 -13.692 60 HB ILE 8 HB ILE 8 -0.203 -3.489 -14.530 61 HG12 ILE 8 2HG1 ILE 8 1.342 -1.572 -12.827 62 HG13 ILE 8 3HG1 ILE 8 1.725 -1.700 -14.540 63 HG21 ILE 8 1HG2 ILE 8 -0.815 -2.995 -12.163 64 HG22 ILE 8 2HG2 ILE 8 -0.455 -4.691 -12.479 65 HG23 ILE 8 3HG2 ILE 8 0.739 -3.672 -11.675 66 HD11 ILE 8 1HD1 ILE 8 0.176 0.107 -14.151 67 HD12 ILE 8 2HD1 ILE 8 -0.607 -1.171 -15.080 68 HD13 ILE 8 3HD1 ILE 8 -0.950 -0.995 -13.359 69 H ILE 9 H ILE 9 1.464 -6.273 -15.541 70 HA ILE 9 HA ILE 9 1.709 -4.820 -18.074 71 HB ILE 9 HB ILE 9 3.623 -5.764 -18.687 72 HG12 ILE 9 2HG1 ILE 9 3.900 -8.333 -18.451 73 HG13 ILE 9 3HG1 ILE 9 2.218 -8.313 -17.931 74 HG21 ILE 9 1HG2 ILE 9 3.672 -7.116 -15.993 75 HG22 ILE 9 2HG2 ILE 9 5.057 -6.756 -17.022 76 HG23 ILE 9 3HG2 ILE 9 4.138 -5.441 -16.290 77 HD11 ILE 9 1HD1 ILE 9 1.696 -8.488 -20.077 78 HD12 ILE 9 2HD1 ILE 9 2.211 -6.809 -20.244 79 HD13 ILE 9 3HD1 ILE 9 3.343 -8.117 -20.586 80 H TYR 10 H TYR 10 0.462 -5.602 -19.712 81 HA TYR 10 HA TYR 10 -1.212 -7.941 -19.074 82 HB2 TYR 10 2HB TYR 10 -3.050 -6.910 -20.004 83 HB3 TYR 10 3HB TYR 10 -2.195 -5.510 -19.365 84 HD1 TYR 10 HD1 TYR 10 -3.374 -7.195 -22.347 85 HD2 TYR 10 HD2 TYR 10 -0.902 -4.046 -20.905 86 HE1 TYR 10 HE1 TYR 10 -3.353 -6.192 -24.593 87 HE2 TYR 10 HE2 TYR 10 -0.875 -3.033 -23.146 88 HH TYR 10 HH TYR 10 -1.584 -4.541 -25.853 89 H CYS 11 H CYS 11 -1.750 -9.386 -20.753 90 HA CYS 11 HA CYS 11 -0.393 -9.101 -23.312 91 HB2 CYS 11 2HB CYS 11 1.172 -10.260 -21.659 92 HB3 CYS 11 3HB CYS 11 0.037 -11.605 -21.687 93 H ASN 12 H ASN 12 -1.747 -9.687 -24.866 94 HA ASN 12 HA ASN 12 -3.882 -11.611 -24.213 95 HB2 ASN 12 2HB ASN 12 -3.962 -8.986 -25.448 96 HB3 ASN 12 3HB ASN 12 -4.679 -10.207 -26.495 97 HD21 ASN 12 1HD2 ASN 12 -5.353 -8.030 -24.176 98 HD22 ASN 12 2HD2 ASN 12 -6.780 -8.734 -23.503 99 H ARG 13 H ARG 13 -2.594 -13.395 -24.841 100 HA ARG 13 HA ARG 13 -1.263 -13.637 -27.296 101 HB2 ARG 13 2HB ARG 13 -2.313 -15.577 -25.276 102 HB3 ARG 13 3HB ARG 13 -1.752 -16.182 -26.829 103 HG2 ARG 13 2HG ARG 13 -0.057 -14.405 -25.106 104 HG3 ARG 13 3HG ARG 13 -0.084 -16.160 -24.918 105 HD2 ARG 13 2HD ARG 13 0.222 -15.528 -27.683 106 HD3 ARG 13 3HD ARG 13 1.408 -14.611 -26.756 107 HE ARG 13 HE ARG 13 1.268 -17.387 -26.026 108 HH11 ARG 13 1HH1 ARG 13 2.683 -15.065 -28.201 109 HH12 ARG 13 2HH1 ARG 13 4.070 -16.042 -28.550 110 HH21 ARG 13 1HH2 ARG 13 3.090 -18.683 -26.478 111 HH22 ARG 13 2HH2 ARG 13 4.300 -18.100 -27.571 112 H ARG 14 H ARG 14 -4.579 -13.551 -26.600 113 HA ARG 14 HA ARG 14 -5.528 -15.226 -28.701 114 HB2 ARG 14 2HB ARG 14 -6.907 -12.985 -27.212 115 HB3 ARG 14 3HB ARG 14 -7.706 -14.135 -28.276 116 HG2 ARG 14 2HG ARG 14 -7.589 -15.830 -26.767 117 HG3 ARG 14 3HG ARG 14 -6.099 -15.226 -26.039 118 HD2 ARG 14 2HD ARG 14 -7.245 -14.198 -24.437 119 HD3 ARG 14 3HD ARG 14 -8.209 -13.333 -25.633 120 HE ARG 14 HE ARG 14 -9.109 -16.010 -25.322 121 HH11 ARG 14 1HH1 ARG 14 -9.172 -12.869 -23.822 122 HH12 ARG 14 2HH1 ARG 14 -10.675 -13.145 -23.004 123 HH21 ARG 14 1HH2 ARG 14 -11.088 -16.386 -24.251 124 HH22 ARG 14 2HH2 ARG 14 -11.763 -15.147 -23.248 125 H THR 15 H THR 15 -4.634 -11.855 -28.448 126 HA THR 15 HA THR 15 -5.196 -11.546 -31.326 127 HB THR 15 HB THR 15 -6.762 -10.152 -30.143 128 HG1 THR 15 HG1 THR 15 -5.331 -9.290 -31.976 129 HG21 THR 15 1HG2 THR 15 -5.918 -9.838 -27.997 130 HG22 THR 15 2HG2 THR 15 -5.737 -8.240 -28.721 131 HG23 THR 15 3HG2 THR 15 -4.343 -9.311 -28.587 132 H GLY 16 H GLY 16 -2.775 -12.045 -29.307 133 HA2 GLY 16 2HA GLY 16 -0.523 -11.603 -29.323 134 HA3 GLY 16 3HA GLY 16 -0.752 -11.159 -31.007 135 H LYS 17 H LYS 17 -1.322 -9.842 -27.746 136 HA LYS 17 HA LYS 17 0.057 -7.406 -28.469 137 HB2 LYS 17 2HB LYS 17 -2.902 -7.464 -27.905 138 HB3 LYS 17 3HB LYS 17 -1.935 -6.014 -27.666 139 HG2 LYS 17 2HG LYS 17 -1.271 -6.110 -30.043 140 HG3 LYS 17 3HG LYS 17 -2.344 -7.495 -30.256 141 HD2 LYS 17 2HD LYS 17 -4.132 -5.885 -29.223 142 HD3 LYS 17 3HD LYS 17 -3.014 -4.628 -29.758 143 HE2 LYS 17 2HE LYS 17 -3.243 -6.411 -31.906 144 HE3 LYS 17 3HE LYS 17 -4.881 -6.194 -31.291 145 HZ1 LYS 17 1HZ LYS 17 -3.037 -4.174 -32.390 146 HZ2 LYS 17 2HZ LYS 17 -4.280 -3.711 -31.341 147 HZ3 LYS 17 3HZ LYS 17 -4.650 -4.480 -32.801 148 H CYS 18 H CYS 18 1.363 -7.089 -26.801 149 HA CYS 18 HA CYS 18 0.267 -7.295 -24.088 150 HB2 CYS 18 2HB CYS 18 3.043 -8.283 -24.673 151 HB3 CYS 18 3HB CYS 18 2.025 -8.614 -23.276 152 H GLN 19 H GLN 19 1.651 -6.201 -22.465 153 HA GLN 19 HA GLN 19 3.767 -4.504 -23.091 154 HB2 GLN 19 2HB GLN 19 2.680 -2.960 -24.336 155 HB3 GLN 19 3HB GLN 19 1.099 -3.439 -23.732 156 HG2 GLN 19 2HG GLN 19 1.513 -2.185 -21.671 157 HG3 GLN 19 3HG GLN 19 3.086 -1.691 -22.297 158 HE21 GLN 19 1HE2 GLN 19 2.603 -1.014 -24.836 159 HE22 GLN 19 2HE2 GLN 19 1.483 0.298 -24.927 160 H ARG 20 H ARG 20 4.326 -3.048 -21.338 161 HA ARG 20 HA ARG 20 2.980 -3.779 -18.820 162 HB2 ARG 20 2HB ARG 20 4.958 -4.399 -17.998 163 HB3 ARG 20 3HB ARG 20 5.675 -4.112 -19.577 164 HG2 ARG 20 2HG ARG 20 6.216 -1.848 -18.979 165 HG3 ARG 20 3HG ARG 20 5.363 -2.013 -17.443 166 HD2 ARG 20 2HD ARG 20 6.953 -3.766 -16.772 167 HD3 ARG 20 3HD ARG 20 7.817 -3.546 -18.293 168 HE ARG 20 HE ARG 20 7.932 -1.852 -15.968 169 HH11 ARG 20 1HH1 ARG 20 8.424 -2.053 -19.409 170 HH12 ARG 20 2HH1 ARG 20 9.545 -0.734 -19.457 171 HH21 ARG 20 1HH2 ARG 20 9.407 -0.113 -16.019 172 HH22 ARG 20 2HH2 ARG 20 10.105 0.368 -17.528 173 H PHE 21 H PHE 21 2.168 -2.181 -17.622 174 HA PHE 21 HA PHE 21 2.578 0.564 -18.518 175 HB2 PHE 21 2HB PHE 21 0.620 -0.596 -16.524 176 HB3 PHE 21 3HB PHE 21 0.671 1.090 -17.027 177 HD1 PHE 21 HD1 PHE 21 -1.434 1.320 -18.031 178 HD2 PHE 21 HD2 PHE 21 1.128 -1.876 -19.189 179 HE1 PHE 21 HE1 PHE 21 -2.935 0.803 -19.910 180 HE2 PHE 21 HE2 PHE 21 -0.369 -2.398 -21.071 181 HZ PHE 21 HZ PHE 21 -2.403 -1.057 -21.434 Start of MODEL 20 1 H1 GLY 1 H GLY 1 2.433 -0.073 -0.358 2 HA2 GLY 1 2HA GLY 1 1.447 2.089 -1.710 3 HA3 GLY 1 3HA GLY 1 0.880 2.325 -0.064 4 H SER 2 H SER 2 3.947 1.017 -1.291 5 HA SER 2 HA SER 2 5.340 3.308 -0.093 6 HB2 SER 2 2HB SER 2 5.590 0.448 0.639 7 HB3 SER 2 3HB SER 2 7.102 1.339 0.472 8 HG SER 2 HG SER 2 5.057 2.558 1.914 9 H LYS 3 H LYS 3 6.269 0.262 -1.694 10 HA LYS 3 HA LYS 3 7.565 1.861 -3.800 11 HB2 LYS 3 2HB LYS 3 9.355 0.108 -3.864 12 HB3 LYS 3 3HB LYS 3 9.340 1.080 -2.398 13 HG2 LYS 3 2HG LYS 3 8.126 -0.741 -1.249 14 HG3 LYS 3 3HG LYS 3 8.277 -1.719 -2.711 15 HD2 LYS 3 2HD LYS 3 10.192 -2.455 -1.813 16 HD3 LYS 3 3HD LYS 3 10.857 -0.886 -2.277 17 HE2 LYS 3 2HE LYS 3 11.280 -0.509 -0.128 18 HE3 LYS 3 3HE LYS 3 9.540 -0.452 0.151 19 HZ1 LYS 3 1HZ LYS 3 9.817 -3.026 0.248 20 HZ2 LYS 3 2HZ LYS 3 10.173 -2.080 1.604 21 HZ3 LYS 3 3HZ LYS 3 11.424 -2.652 0.620 22 H LYS 4 H LYS 4 7.938 0.651 -5.818 23 HA LYS 4 HA LYS 4 5.860 -1.399 -6.235 24 HB2 LYS 4 2HB LYS 4 6.843 0.754 -8.112 25 HB3 LYS 4 3HB LYS 4 5.793 -0.567 -8.605 26 HG2 LYS 4 2HG LYS 4 3.981 0.263 -7.463 27 HG3 LYS 4 3HG LYS 4 4.979 1.165 -6.320 28 HD2 LYS 4 2HD LYS 4 5.668 2.592 -8.329 29 HD3 LYS 4 3HD LYS 4 4.306 1.847 -9.168 30 HE2 LYS 4 2HE LYS 4 2.741 2.815 -7.742 31 HE3 LYS 4 3HE LYS 4 3.937 3.124 -6.484 32 HZ1 LYS 4 1HZ LYS 4 3.527 5.195 -7.431 33 HZ2 LYS 4 2HZ LYS 4 3.510 4.594 -9.011 34 HZ3 LYS 4 3HZ LYS 4 4.970 4.708 -8.166 35 HA PRO 5 HA PRO 5 9.934 -3.384 -7.126 36 HB2 PRO 5 2HB PRO 5 9.255 -5.773 -6.030 37 HB3 PRO 5 3HB PRO 5 9.909 -4.432 -5.082 38 HG2 PRO 5 2HG PRO 5 7.065 -5.305 -5.417 39 HG3 PRO 5 3HG PRO 5 7.914 -4.797 -3.945 40 HD2 PRO 5 2HD PRO 5 6.263 -3.147 -5.319 41 HD3 PRO 5 3HD PRO 5 7.687 -2.556 -4.437 42 H VAL 6 H VAL 6 6.710 -4.891 -7.347 43 HA VAL 6 HA VAL 6 7.543 -6.238 -9.816 44 HB VAL 6 HB VAL 6 6.519 -7.663 -8.108 45 HG11 VAL 6 1HG1 VAL 6 4.852 -5.508 -7.653 46 HG12 VAL 6 2HG1 VAL 6 3.797 -6.699 -8.417 47 HG13 VAL 6 3HG1 VAL 6 4.689 -7.119 -6.955 48 HG21 VAL 6 1HG2 VAL 6 5.973 -7.652 -10.774 49 HG22 VAL 6 2HG2 VAL 6 5.495 -8.930 -9.656 50 HG23 VAL 6 3HG2 VAL 6 4.351 -7.659 -10.083 51 HA PRO 7 HA PRO 7 5.335 -2.929 -11.907 52 HB2 PRO 7 2HB PRO 7 6.134 -3.659 -14.397 53 HB3 PRO 7 3HB PRO 7 7.165 -2.752 -13.284 54 HG2 PRO 7 2HG PRO 7 7.155 -5.683 -13.894 55 HG3 PRO 7 3HG PRO 7 8.534 -4.585 -13.703 56 HD2 PRO 7 2HD PRO 7 7.720 -6.258 -11.736 57 HD3 PRO 7 3HD PRO 7 8.446 -4.673 -11.401 58 H ILE 8 H ILE 8 3.759 -2.889 -13.733 59 HA ILE 8 HA ILE 8 2.208 -5.394 -13.802 60 HB ILE 8 HB ILE 8 0.297 -3.741 -14.443 61 HG12 ILE 8 2HG1 ILE 8 1.839 -1.842 -12.714 62 HG13 ILE 8 3HG1 ILE 8 2.125 -1.852 -14.451 63 HG21 ILE 8 1HG2 ILE 8 1.402 -4.029 -11.656 64 HG22 ILE 8 2HG2 ILE 8 -0.208 -3.412 -12.023 65 HG23 ILE 8 3HG2 ILE 8 0.221 -5.067 -12.454 66 HD11 ILE 8 1HD1 ILE 8 -0.249 -1.407 -14.834 67 HD12 ILE 8 2HD1 ILE 8 -0.514 -1.370 -13.090 68 HD13 ILE 8 3HD1 ILE 8 0.511 -0.155 -13.853 69 H ILE 9 H ILE 9 2.044 -6.367 -15.704 70 HA ILE 9 HA ILE 9 2.084 -4.757 -18.153 71 HB ILE 9 HB ILE 9 4.011 -5.559 -18.909 72 HG12 ILE 9 2HG1 ILE 9 4.413 -8.122 -18.871 73 HG13 ILE 9 3HG1 ILE 9 2.760 -8.219 -18.272 74 HG21 ILE 9 1HG2 ILE 9 4.243 -7.081 -16.317 75 HG22 ILE 9 2HG2 ILE 9 5.564 -6.608 -17.384 76 HG23 ILE 9 3HG2 ILE 9 4.637 -5.375 -16.529 77 HD11 ILE 9 1HD1 ILE 9 2.559 -6.563 -20.466 78 HD12 ILE 9 2HD1 ILE 9 3.739 -7.779 -20.957 79 HD13 ILE 9 3HD1 ILE 9 2.141 -8.275 -20.398 80 H TYR 10 H TYR 10 0.781 -5.498 -19.764 81 HA TYR 10 HA TYR 10 -0.737 -7.957 -19.191 82 HB2 TYR 10 2HB TYR 10 -2.672 -6.967 -19.948 83 HB3 TYR 10 3HB TYR 10 -1.849 -5.563 -19.277 84 HD1 TYR 10 HD1 TYR 10 -3.132 -7.132 -22.278 85 HD2 TYR 10 HD2 TYR 10 -0.712 -3.957 -20.804 86 HE1 TYR 10 HE1 TYR 10 -3.292 -6.005 -24.458 87 HE2 TYR 10 HE2 TYR 10 -0.867 -2.821 -22.980 88 HH TYR 10 HH TYR 10 -1.835 -4.290 -25.755 89 H CYS 11 H CYS 11 -1.300 -9.322 -20.930 90 HA CYS 11 HA CYS 11 -0.101 -8.810 -23.532 91 HB2 CYS 11 2HB CYS 11 1.608 -9.986 -22.046 92 HB3 CYS 11 3HB CYS 11 0.537 -11.382 -22.092 93 H ASN 12 H ASN 12 -1.515 -9.361 -25.045 94 HA ASN 12 HA ASN 12 -3.514 -11.431 -24.409 95 HB2 ASN 12 2HB ASN 12 -3.789 -8.741 -25.463 96 HB3 ASN 12 3HB ASN 12 -4.508 -9.929 -26.545 97 HD21 ASN 12 1HD2 ASN 12 -5.150 -7.935 -24.060 98 HD22 ASN 12 2HD2 ASN 12 -6.499 -8.752 -23.355 99 H ARG 13 H ARG 13 -2.182 -13.103 -25.221 100 HA ARG 13 HA ARG 13 -0.980 -13.120 -27.754 101 HB2 ARG 13 2HB ARG 13 -0.940 -15.583 -27.498 102 HB3 ARG 13 3HB ARG 13 -0.364 -14.742 -26.066 103 HG2 ARG 13 2HG ARG 13 -2.695 -15.026 -25.126 104 HG3 ARG 13 3HG ARG 13 -2.993 -16.133 -26.468 105 HD2 ARG 13 2HD ARG 13 -0.503 -16.785 -25.209 106 HD3 ARG 13 3HD ARG 13 -1.776 -16.694 -23.992 107 HE ARG 13 HE ARG 13 -2.766 -18.180 -26.124 108 HH11 ARG 13 1HH1 ARG 13 -0.247 -18.407 -23.731 109 HH12 ARG 13 2HH1 ARG 13 -0.267 -20.138 -23.684 110 HH21 ARG 13 1HH2 ARG 13 -2.802 -20.460 -26.072 111 HH22 ARG 13 2HH2 ARG 13 -1.720 -21.306 -25.017 112 H ARG 14 H ARG 14 -4.252 -13.248 -26.879 113 HA ARG 14 HA ARG 14 -5.237 -14.830 -29.035 114 HB2 ARG 14 2HB ARG 14 -6.683 -12.735 -27.404 115 HB3 ARG 14 3HB ARG 14 -7.432 -13.970 -28.406 116 HG2 ARG 14 2HG ARG 14 -5.675 -14.597 -26.049 117 HG3 ARG 14 3HG ARG 14 -7.428 -14.430 -25.944 118 HD2 ARG 14 2HD ARG 14 -7.453 -16.169 -27.868 119 HD3 ARG 14 3HD ARG 14 -5.804 -16.514 -27.349 120 HE ARG 14 HE ARG 14 -6.638 -17.536 -25.472 121 HH11 ARG 14 1HH1 ARG 14 -9.167 -15.715 -27.023 122 HH12 ARG 14 2HH1 ARG 14 -10.426 -16.364 -26.025 123 HH21 ARG 14 1HH2 ARG 14 -8.286 -18.399 -24.151 124 HH22 ARG 14 2HH2 ARG 14 -9.924 -17.890 -24.391 125 H THR 15 H THR 15 -4.489 -11.441 -28.605 126 HA THR 15 HA THR 15 -5.227 -10.975 -31.421 127 HB THR 15 HB THR 15 -6.786 -9.742 -30.062 128 HG1 THR 15 HG1 THR 15 -6.234 -7.606 -30.779 129 HG21 THR 15 1HG2 THR 15 -4.322 -8.891 -28.585 130 HG22 THR 15 2HG2 THR 15 -5.845 -9.513 -27.950 131 HG23 THR 15 3HG2 THR 15 -5.758 -7.869 -28.583 132 H GLY 16 H GLY 16 -2.675 -11.480 -29.571 133 HA2 GLY 16 2HA GLY 16 -0.450 -10.926 -29.676 134 HA3 GLY 16 3HA GLY 16 -0.794 -10.388 -31.313 135 H LYS 17 H LYS 17 -1.241 -9.312 -27.946 136 HA LYS 17 HA LYS 17 -0.020 -6.769 -28.578 137 HB2 LYS 17 2HB LYS 17 -2.936 -7.011 -27.861 138 HB3 LYS 17 3HB LYS 17 -2.026 -5.533 -27.578 139 HG2 LYS 17 2HG LYS 17 -1.495 -5.442 -29.988 140 HG3 LYS 17 3HG LYS 17 -2.511 -6.864 -30.235 141 HD2 LYS 17 2HD LYS 17 -4.332 -5.448 -29.038 142 HD3 LYS 17 3HD LYS 17 -3.298 -4.081 -29.462 143 HE2 LYS 17 2HE LYS 17 -4.069 -6.088 -31.542 144 HE3 LYS 17 3HE LYS 17 -5.200 -4.817 -31.079 145 HZ1 LYS 17 1HZ LYS 17 -3.495 -4.465 -33.011 146 HZ2 LYS 17 2HZ LYS 17 -2.449 -4.059 -31.745 147 HZ3 LYS 17 3HZ LYS 17 -3.887 -3.196 -31.963 148 H CYS 18 H CYS 18 1.364 -6.497 -26.965 149 HA CYS 18 HA CYS 18 0.433 -6.920 -24.216 150 HB2 CYS 18 2HB CYS 18 3.210 -7.752 -25.003 151 HB3 CYS 18 3HB CYS 18 2.275 -8.219 -23.587 152 H GLN 19 H GLN 19 1.836 -5.856 -22.603 153 HA GLN 19 HA GLN 19 3.861 -4.048 -23.222 154 HB2 GLN 19 2HB GLN 19 2.646 -2.499 -24.346 155 HB3 GLN 19 3HB GLN 19 1.122 -3.045 -23.658 156 HG2 GLN 19 2HG GLN 19 1.581 -1.845 -21.608 157 HG3 GLN 19 3HG GLN 19 3.158 -1.355 -22.225 158 HE21 GLN 19 1HE2 GLN 19 -0.304 -1.008 -22.634 159 HE22 GLN 19 2HE2 GLN 19 -0.246 0.503 -23.468 160 H ARG 20 H ARG 20 4.457 -2.685 -21.414 161 HA ARG 20 HA ARG 20 3.256 -3.609 -18.887 162 HB2 ARG 20 2HB ARG 20 5.297 -4.179 -18.193 163 HB3 ARG 20 3HB ARG 20 5.926 -3.764 -19.782 164 HG2 ARG 20 2HG ARG 20 6.392 -1.518 -19.071 165 HG3 ARG 20 3HG ARG 20 5.612 -1.810 -17.515 166 HD2 ARG 20 2HD ARG 20 7.594 -2.426 -16.720 167 HD3 ARG 20 3HD ARG 20 7.517 -3.834 -17.779 168 HE ARG 20 HE ARG 20 8.472 -1.640 -19.245 169 HH11 ARG 20 1HH1 ARG 20 9.449 -3.772 -16.673 170 HH12 ARG 20 2HH1 ARG 20 11.140 -3.634 -17.024 171 HH21 ARG 20 1HH2 ARG 20 10.695 -1.450 -19.718 172 HH22 ARG 20 2HH2 ARG 20 11.848 -2.312 -18.756 173 H PHE 21 H PHE 21 2.435 -2.123 -17.556 174 HA PHE 21 HA PHE 21 2.669 0.685 -18.310 175 HB2 PHE 21 2HB PHE 21 0.874 -0.679 -16.291 176 HB3 PHE 21 3HB PHE 21 0.817 1.032 -16.702 177 HD1 PHE 21 HD1 PHE 21 -1.348 1.202 -17.584 178 HD2 PHE 21 HD2 PHE 21 1.307 -1.785 -19.049 179 HE1 PHE 21 HE1 PHE 21 -2.917 0.710 -19.413 180 HE2 PHE 21 HE2 PHE 21 -0.258 -2.281 -20.881 181 HZ PHE 21 HZ PHE 21 -2.373 -1.033 -21.066
Contact the webmaster for help, if required. Monday, April 29, 2024 3:45:02 AM GMT (wattos1)