NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
7996 | 1lbj | 5454 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H PHE 1 H1 PHE 1 0.628 8.560 -1.953 2 2H PHE 1 H2 PHE 1 0.009 8.933 -0.464 3 3H PHE 1 H3 PHE 1 -0.895 8.073 -1.530 4 HA PHE 1 HA PHE 1 0.555 6.231 -1.413 5 1HB PHE 1 HB2 PHE 1 2.377 6.254 0.317 6 2HB PHE 1 HB3 PHE 1 2.656 7.269 -1.087 7 HD1 PHE 1 HD1 PHE 1 1.386 7.464 2.476 8 HD2 PHE 1 HD2 PHE 1 3.341 9.501 -0.790 9 HE1 PHE 1 HE1 PHE 1 1.798 9.413 3.934 10 HE2 PHE 1 HE2 PHE 1 3.799 11.426 0.699 11 HZ PHE 1 HZ PHE 1 3.023 11.391 3.059 12 H VAL 2 H VAL 2 0.403 4.603 0.284 13 HA VAL 2 HA VAL 2 -1.682 5.185 2.305 14 HB VAL 2 HB VAL 2 -0.332 2.568 1.532 15 1HG1 VAL 2 HG11 VAL 2 -1.191 2.575 3.868 16 2HG1 VAL 2 HG12 VAL 2 -2.768 3.144 3.284 17 3HG1 VAL 2 HG13 VAL 2 -2.172 1.538 2.825 18 1HG2 VAL 2 HG21 VAL 2 -2.524 2.044 0.472 19 2HG2 VAL 2 HG22 VAL 2 -3.072 3.700 0.800 20 3HG2 VAL 2 HG23 VAL 2 -1.727 3.406 -0.323 21 HA PRO 3 HA PRO 3 2.009 5.674 4.912 22 1HB PRO 3 HB2 PRO 3 0.898 6.582 7.223 23 2HB PRO 3 HB3 PRO 3 0.867 7.547 5.725 24 1HG PRO 3 HG2 PRO 3 -1.323 5.731 6.773 25 2HG PRO 3 HG3 PRO 3 -1.473 7.445 6.288 26 1HD PRO 3 HD2 PRO 3 -2.061 5.390 4.583 27 2HD PRO 3 HD3 PRO 3 -1.298 6.897 3.989 28 H ILE 4 H ILE 4 1.676 3.149 4.445 29 HA ILE 4 HA ILE 4 0.306 1.439 6.020 30 HB ILE 4 HB ILE 4 2.576 -0.094 5.455 31 1HG1 ILE 4 HG12 ILE 4 3.323 0.406 3.233 32 2HG1 ILE 4 HG13 ILE 4 2.354 1.863 3.133 33 1HG2 ILE 4 HG21 ILE 4 1.313 -0.872 3.516 34 2HG2 ILE 4 HG22 ILE 4 0.254 -0.634 4.914 35 3HG2 ILE 4 HG23 ILE 4 0.270 0.561 3.597 36 1HD1 ILE 4 HD11 ILE 4 4.739 1.419 4.988 37 2HD1 ILE 4 HD12 ILE 4 3.852 2.953 4.822 38 3HD1 ILE 4 HD13 ILE 4 4.747 2.315 3.461 39 H PHE 5 H PHE 5 3.638 2.257 6.646 40 HA PHE 5 HA PHE 5 3.098 2.034 9.556 41 1HB PHE 5 HB2 PHE 5 5.375 1.094 9.933 42 2HB PHE 5 HB3 PHE 5 4.221 -0.022 9.232 43 HD1 PHE 5 HD1 PHE 5 7.370 1.781 8.691 44 HD2 PHE 5 HD2 PHE 5 4.466 -0.878 6.945 45 HE1 PHE 5 HE1 PHE 5 8.993 1.172 6.908 46 HE2 PHE 5 HE2 PHE 5 6.093 -1.497 5.179 47 HZ PHE 5 HZ PHE 5 8.354 -0.464 5.151 48 H THR 6 H THR 6 2.843 4.110 7.821 49 HA THR 6 HA THR 6 3.389 6.310 7.618 50 HB THR 6 HB THR 6 6.068 6.042 9.002 51 HG1 THR 6 HG1 THR 6 4.806 5.147 10.466 52 1HG2 THR 6 HG21 THR 6 5.568 8.329 9.692 53 2HG2 THR 6 HG22 THR 6 5.467 8.195 7.926 54 3HG2 THR 6 HG23 THR 6 3.980 8.256 8.905 55 H TYR 7 H TYR 7 3.735 6.548 5.467 56 HA TYR 7 HA TYR 7 5.263 4.872 3.892 57 1HB TYR 7 HB2 TYR 7 3.511 6.244 2.981 58 2HB TYR 7 HB3 TYR 7 4.387 7.728 3.390 59 HD1 TYR 7 HD1 TYR 7 5.877 8.705 1.812 60 HD2 TYR 7 HD2 TYR 7 4.660 4.595 1.326 61 HE1 TYR 7 HE1 TYR 7 7.192 8.558 -0.283 62 HE2 TYR 7 HE2 TYR 7 5.967 4.458 -0.770 63 HH TYR 7 HH TYR 7 7.392 5.558 -2.210 64 H GLY 8 H GLY 8 6.274 7.940 5.321 65 1HA GLY 8 HA2 GLY 8 8.750 8.398 4.154 66 2HA GLY 8 HA3 GLY 8 8.379 8.710 5.858 67 H GLU 9 H GLU 9 7.953 5.955 6.688 68 HA GLU 9 HA GLU 9 10.719 5.240 7.194 69 1HB GLU 9 HB2 GLU 9 8.093 3.830 7.809 70 2HB GLU 9 HB3 GLU 9 9.690 3.292 8.353 71 1HG GLU 9 HG2 GLU 9 10.020 5.381 9.601 72 2HG GLU 9 HG3 GLU 9 8.477 6.016 9.014 73 H LEU 10 H LEU 10 8.071 3.944 5.145 74 HA LEU 10 HA LEU 10 9.540 1.680 4.177 75 1HB LEU 10 HB2 LEU 10 7.116 1.925 4.003 76 2HB LEU 10 HB3 LEU 10 7.277 3.224 2.821 77 HG LEU 10 HG LEU 10 8.609 0.547 2.296 78 1HD1 LEU 10 HD11 LEU 10 6.272 0.020 2.969 79 2HD1 LEU 10 HD12 LEU 10 5.681 1.130 1.710 80 3HD1 LEU 10 HD13 LEU 10 6.588 -0.326 1.263 81 1HD2 LEU 10 HD21 LEU 10 9.032 2.357 0.631 82 2HD2 LEU 10 HD22 LEU 10 8.019 1.102 -0.069 83 3HD2 LEU 10 HD23 LEU 10 7.286 2.622 0.475 84 H GLN 11 H GLN 11 9.131 5.021 2.941 85 HA GLN 11 HA GLN 11 10.755 4.692 0.655 86 1HB GLN 11 HB2 GLN 11 9.170 6.661 1.422 87 2HB GLN 11 HB3 GLN 11 10.646 7.343 2.112 88 1HG GLN 11 HG2 GLN 11 10.131 6.526 -0.792 89 2HG GLN 11 HG3 GLN 11 10.210 8.177 -0.179 90 1HE2 GLN 11 HE22 GLN 11 12.398 8.696 1.015 91 2HE2 GLN 11 HE21 GLN 11 13.838 8.148 0.182 92 H ARG 12 H ARG 12 11.622 5.769 4.001 93 HA ARG 12 HA ARG 12 14.376 6.138 3.537 94 1HB ARG 12 HB2 ARG 12 13.218 6.776 5.629 95 2HB ARG 12 HB3 ARG 12 13.032 5.064 6.051 96 1HG ARG 12 HG2 ARG 12 15.529 4.815 6.008 97 2HG ARG 12 HG3 ARG 12 15.674 6.542 5.659 98 1HD ARG 12 HD2 ARG 12 14.632 7.110 7.789 99 2HD ARG 12 HD3 ARG 12 14.275 5.421 8.143 100 HE ARG 12 HE ARG 12 16.785 6.828 8.494 101 1HH1 ARG 12 HH11 ARG 12 15.410 3.631 7.888 102 2HH1 ARG 12 HH12 ARG 12 16.751 2.760 8.584 103 1HH2 ARG 12 HH21 ARG 12 18.552 5.710 9.392 104 2HH2 ARG 12 HH22 ARG 12 18.575 3.969 9.445 105 H MET 13 H MET 13 12.637 3.125 4.524 106 HA MET 13 HA MET 13 14.900 1.459 4.626 107 1HB MET 13 HB2 MET 13 12.709 0.814 5.505 108 2HB MET 13 HB3 MET 13 12.016 0.794 3.884 109 1HG MET 13 HG2 MET 13 12.533 -1.471 4.712 110 2HG MET 13 HG3 MET 13 13.372 -1.078 3.219 111 1HE MET 13 HE1 MET 13 13.701 -1.612 7.082 112 2HE MET 13 HE2 MET 13 15.445 -1.370 7.341 113 3HE MET 13 HE3 MET 13 14.416 0.014 6.915 114 H GLN 14 H GLN 14 12.661 2.008 1.872 115 HA GLN 14 HA GLN 14 13.970 0.525 -0.118 116 1HB GLN 14 HB2 GLN 14 11.783 1.554 -0.441 117 2HB GLN 14 HB3 GLN 14 12.453 3.170 -0.219 118 1HG GLN 14 HG2 GLN 14 13.781 2.909 -2.327 119 2HG GLN 14 HG3 GLN 14 13.042 1.313 -2.546 120 1HE2 GLN 14 HE22 GLN 14 12.149 4.834 -2.018 121 2HE2 GLN 14 HE21 GLN 14 10.748 4.724 -3.063 122 H GLU 15 H GLU 15 14.515 3.933 0.815 123 HA GLU 15 HA GLU 15 16.517 4.489 -1.085 124 1HB GLU 15 HB2 GLU 15 15.148 6.090 0.259 125 2HB GLU 15 HB3 GLU 15 16.159 5.743 1.672 126 1HG GLU 15 HG2 GLU 15 18.140 6.604 0.464 127 2HG GLU 15 HG3 GLU 15 17.162 6.849 -0.994 128 H LYS 16 H LYS 16 16.757 3.215 2.274 129 HA LYS 16 HA LYS 16 19.623 3.163 2.235 130 1HB LYS 16 HB2 LYS 16 17.596 1.702 3.951 131 2HB LYS 16 HB3 LYS 16 19.335 1.609 4.238 132 1HG LYS 16 HG2 LYS 16 18.011 4.337 4.084 133 2HG LYS 16 HG3 LYS 16 17.801 3.347 5.520 134 1HD LYS 16 HD2 LYS 16 19.623 4.917 5.824 135 2HD LYS 16 HD3 LYS 16 20.203 3.250 5.925 136 1HE LYS 16 HE2 LYS 16 21.204 3.388 3.716 137 2HE LYS 16 HE3 LYS 16 20.429 4.966 3.406 138 1HZ LYS 16 HZ1 LYS 16 21.777 5.877 5.133 139 2HZ LYS 16 HZ2 LYS 16 22.487 4.412 5.414 140 3HZ LYS 16 HZ3 LYS 16 22.696 5.167 3.960 141 H GLU 17 H GLU 17 17.153 0.693 1.401 142 HA GLU 17 HA GLU 17 19.011 -1.415 0.873 143 1HB GLU 17 HB2 GLU 17 16.292 -0.769 -0.332 144 2HB GLU 17 HB3 GLU 17 17.204 -2.243 -0.687 145 1HG GLU 17 HG2 GLU 17 17.190 -2.917 1.650 146 2HG GLU 17 HG3 GLU 17 16.420 -1.408 2.144 147 H ARG 18 H ARG 18 17.740 1.200 -1.252 148 HA ARG 18 HA ARG 18 19.332 0.536 -3.528 149 1HB ARG 18 HB2 ARG 18 18.194 3.195 -2.576 150 2HB ARG 18 HB3 ARG 18 19.100 2.977 -4.075 151 1HG ARG 18 HG2 ARG 18 17.434 1.210 -4.779 152 2HG ARG 18 HG3 ARG 18 16.486 1.571 -3.328 153 1HD ARG 18 HD2 ARG 18 15.592 2.768 -5.282 154 2HD ARG 18 HD3 ARG 18 16.236 3.922 -4.088 155 HE ARG 18 HE ARG 18 18.293 3.227 -5.953 156 1HH1 ARG 18 HH21 ARG 18 15.295 5.095 -5.875 157 2HH1 ARG 18 HH22 ARG 18 15.854 6.272 -7.035 158 1HH2 ARG 18 HH11 ARG 18 19.037 4.682 -7.337 159 2HH2 ARG 18 HH12 ARG 18 18.068 6.021 -7.946 160 H ASN 19 H ASN 19 20.058 2.703 -0.747 161 HA ASN 19 HA ASN 19 22.568 3.607 -1.595 162 1HB ASN 19 HB2 ASN 19 21.287 4.417 0.394 163 2HB ASN 19 HB3 ASN 19 21.749 2.948 1.260 164 1HD2 ASN 19 HD22 ASN 19 24.601 3.519 -0.391 165 2HD2 ASN 19 HD21 ASN 19 25.299 4.637 0.759 166 H LYS 20 H LYS 20 21.738 0.585 0.178 167 HA LYS 20 HA LYS 20 24.471 -0.353 0.343 168 1HB LYS 20 HB2 LYS 20 21.801 -1.812 0.470 169 2HB LYS 20 HB3 LYS 20 23.374 -2.564 0.780 170 1HG LYS 20 HG2 LYS 20 23.800 -1.045 2.649 171 2HG LYS 20 HG3 LYS 20 22.287 -0.176 2.339 172 1HD LYS 20 HD2 LYS 20 20.994 -2.254 2.756 173 2HD LYS 20 HD3 LYS 20 22.506 -3.126 3.088 174 1HE LYS 20 HE2 LYS 20 22.972 -1.576 4.986 175 2HE LYS 20 HE3 LYS 20 21.457 -0.714 4.650 176 1HZ LYS 20 HZ1 LYS 20 20.279 -2.739 5.107 177 2HZ LYS 20 HZ2 LYS 20 21.686 -3.540 5.417 178 3HZ LYS 20 HZ3 LYS 20 21.206 -2.306 6.398 179 H GLY 21 H GLY 21 21.780 -1.028 -1.935 180 1HA GLY 21 HA2 GLY 21 23.094 -3.020 -3.435 181 2HA GLY 21 HA3 GLY 21 21.722 -2.043 -3.977 182 H GLN 22 H GLN 22 22.775 0.498 -4.121 183 HA GLN 22 HA GLN 22 24.267 0.296 -6.627 184 1HB GLN 22 HB2 GLN 22 23.267 2.706 -5.047 185 2HB GLN 22 HB3 GLN 22 24.034 2.751 -6.642 186 1HG GLN 22 HG2 GLN 22 22.191 1.255 -7.513 187 2HG GLN 22 HG3 GLN 22 21.401 1.364 -5.934 188 1HE2 GLN 22 HE22 GLN 22 22.948 3.726 -8.219 189 2HE2 GLN 22 HE21 GLN 22 21.592 4.833 -8.212 Start of MODEL 2 1 1H PHE 1 H1 PHE 1 0.524 5.303 -2.516 2 2H PHE 1 H2 PHE 1 1.146 6.719 -3.095 3 3H PHE 1 H3 PHE 1 -0.408 6.659 -2.531 4 HA PHE 1 HA PHE 1 1.987 6.239 -0.915 5 1HB PHE 1 HB2 PHE 1 1.739 8.571 -1.655 6 2HB PHE 1 HB3 PHE 1 0.089 8.609 -1.046 7 HD1 PHE 1 HD1 PHE 1 -0.360 8.582 1.422 8 HD2 PHE 1 HD2 PHE 1 3.642 8.830 -0.171 9 HE1 PHE 1 HE1 PHE 1 0.473 9.347 3.625 10 HE2 PHE 1 HE2 PHE 1 4.444 9.703 2.006 11 HZ PHE 1 HZ PHE 1 2.875 9.910 3.922 12 H VAL 2 H VAL 2 1.544 4.977 0.835 13 HA VAL 2 HA VAL 2 -1.067 5.268 2.193 14 HB VAL 2 HB VAL 2 0.276 2.589 1.644 15 1HG1 VAL 2 HG11 VAL 2 -2.340 3.293 3.055 16 2HG1 VAL 2 HG12 VAL 2 -1.728 1.658 2.745 17 3HG1 VAL 2 HG13 VAL 2 -0.864 2.726 3.859 18 1HG2 VAL 2 HG21 VAL 2 -1.802 2.078 0.362 19 2HG2 VAL 2 HG22 VAL 2 -2.306 3.773 0.530 20 3HG2 VAL 2 HG23 VAL 2 -0.848 3.354 -0.398 21 HA PRO 3 HA PRO 3 2.360 5.810 5.064 22 1HB PRO 3 HB2 PRO 3 1.102 6.960 7.185 23 2HB PRO 3 HB3 PRO 3 1.225 7.780 5.609 24 1HG PRO 3 HG2 PRO 3 -1.103 6.127 6.633 25 2HG PRO 3 HG3 PRO 3 -1.156 7.792 5.983 26 1HD PRO 3 HD2 PRO 3 -1.670 5.596 4.431 27 2HD PRO 3 HD3 PRO 3 -0.827 7.028 3.768 28 H ILE 4 H ILE 4 1.917 3.238 4.791 29 HA ILE 4 HA ILE 4 0.394 1.792 6.513 30 HB ILE 4 HB ILE 4 2.564 0.063 6.193 31 1HG1 ILE 4 HG12 ILE 4 3.341 0.244 3.917 32 2HG1 ILE 4 HG13 ILE 4 2.520 1.777 3.676 33 1HG2 ILE 4 HG21 ILE 4 0.337 0.631 4.214 34 2HG2 ILE 4 HG22 ILE 4 1.280 -0.867 4.339 35 3HG2 ILE 4 HG23 ILE 4 0.216 -0.386 5.669 36 1HD1 ILE 4 HD11 ILE 4 4.971 1.954 3.999 37 2HD1 ILE 4 HD12 ILE 4 4.108 2.880 5.221 38 3HD1 ILE 4 HD13 ILE 4 4.812 1.296 5.633 39 H PHE 5 H PHE 5 3.757 2.524 7.134 40 HA PHE 5 HA PHE 5 3.119 2.665 10.024 41 1HB PHE 5 HB2 PHE 5 5.362 1.690 10.574 42 2HB PHE 5 HB3 PHE 5 4.140 0.560 10.029 43 HD1 PHE 5 HD1 PHE 5 4.345 -0.672 7.936 44 HD2 PHE 5 HD2 PHE 5 7.371 2.123 9.198 45 HE1 PHE 5 HE1 PHE 5 5.954 -1.701 6.355 46 HE2 PHE 5 HE2 PHE 5 8.983 1.083 7.611 47 HZ PHE 5 HZ PHE 5 8.283 -0.834 6.208 48 H THR 6 H THR 6 2.985 4.532 8.089 49 HA THR 6 HA THR 6 3.577 6.679 7.665 50 HB THR 6 HB THR 6 6.085 6.454 9.377 51 HG1 THR 6 HG1 THR 6 4.277 5.968 10.615 52 1HG2 THR 6 HG21 THR 6 4.386 8.815 8.478 53 2HG2 THR 6 HG22 THR 6 5.796 8.879 9.552 54 3HG2 THR 6 HG23 THR 6 6.003 8.400 7.859 55 H TYR 7 H TYR 7 4.024 6.709 5.540 56 HA TYR 7 HA TYR 7 5.596 4.796 4.297 57 1HB TYR 7 HB2 TYR 7 3.816 6.056 3.142 58 2HB TYR 7 HB3 TYR 7 4.814 7.510 3.207 59 HD1 TYR 7 HD1 TYR 7 6.223 7.996 1.344 60 HD2 TYR 7 HD2 TYR 7 4.953 3.929 2.020 61 HE1 TYR 7 HE1 TYR 7 7.527 7.256 -0.624 62 HE2 TYR 7 HE2 TYR 7 6.340 3.183 0.109 63 HH TYR 7 HH TYR 7 7.971 3.803 -1.431 64 H GLY 8 H GLY 8 6.599 7.966 5.453 65 1HA GLY 8 HA2 GLY 8 9.058 8.405 4.277 66 2HA GLY 8 HA3 GLY 8 8.715 8.696 5.990 67 H GLU 9 H GLU 9 8.296 5.931 6.784 68 HA GLU 9 HA GLU 9 11.043 5.172 7.273 69 1HB GLU 9 HB2 GLU 9 8.456 3.603 7.642 70 2HB GLU 9 HB3 GLU 9 10.027 3.229 8.380 71 1HG GLU 9 HG2 GLU 9 8.306 5.698 8.927 72 2HG GLU 9 HG3 GLU 9 8.520 4.310 9.989 73 H LEU 10 H LEU 10 8.421 3.820 5.279 74 HA LEU 10 HA LEU 10 9.856 1.636 4.164 75 1HB LEU 10 HB2 LEU 10 7.322 2.205 4.238 76 2HB LEU 10 HB3 LEU 10 7.622 3.203 2.821 77 HG LEU 10 HG LEU 10 6.707 1.156 2.108 78 1HD1 LEU 10 HD11 LEU 10 8.679 2.032 0.804 79 2HD1 LEU 10 HD12 LEU 10 9.654 0.737 1.549 80 3HD1 LEU 10 HD13 LEU 10 8.265 0.327 0.534 81 1HD2 LEU 10 HD21 LEU 10 7.621 -1.063 2.605 82 2HD2 LEU 10 HD22 LEU 10 8.842 -0.350 3.674 83 3HD2 LEU 10 HD23 LEU 10 7.111 -0.220 4.075 84 H GLN 11 H GLN 11 9.336 4.991 3.065 85 HA GLN 11 HA GLN 11 10.774 4.903 0.654 86 1HB GLN 11 HB2 GLN 11 9.244 6.728 1.520 87 2HB GLN 11 HB3 GLN 11 10.571 7.278 2.551 88 1HG GLN 11 HG2 GLN 11 11.969 7.653 0.517 89 2HG GLN 11 HG3 GLN 11 10.654 7.028 -0.492 90 1HE2 GLN 11 HE22 GLN 11 11.246 9.552 2.044 91 2HE2 GLN 11 HE21 GLN 11 10.197 10.737 1.284 92 H ARG 12 H ARG 12 11.908 5.805 3.991 93 HA ARG 12 HA ARG 12 14.602 6.198 3.260 94 1HB ARG 12 HB2 ARG 12 13.596 6.833 5.438 95 2HB ARG 12 HB3 ARG 12 13.580 5.122 5.916 96 1HG ARG 12 HG2 ARG 12 16.036 5.020 5.682 97 2HG ARG 12 HG3 ARG 12 16.072 6.684 5.074 98 1HD ARG 12 HD2 ARG 12 16.762 6.618 7.398 99 2HD ARG 12 HD3 ARG 12 15.272 7.528 7.254 100 HE ARG 12 HE ARG 12 15.709 4.834 8.448 101 1HH1 ARG 12 HH21 ARG 12 13.313 7.320 7.641 102 2HH1 ARG 12 HH22 ARG 12 12.173 6.803 8.852 103 1HH2 ARG 12 HH11 ARG 12 14.201 4.104 9.959 104 2HH2 ARG 12 HH12 ARG 12 12.658 4.896 10.142 105 H MET 13 H MET 13 12.905 3.165 4.209 106 HA MET 13 HA MET 13 15.168 1.450 4.037 107 1HB MET 13 HB2 MET 13 12.238 0.861 3.484 108 2HB MET 13 HB3 MET 13 13.511 -0.355 3.569 109 1HG MET 13 HG2 MET 13 13.915 0.047 5.868 110 2HG MET 13 HG3 MET 13 13.055 1.582 5.859 111 1HE MET 13 HE1 MET 13 11.717 -1.806 4.262 112 2HE MET 13 HE2 MET 13 12.658 -2.316 5.690 113 3HE MET 13 HE3 MET 13 10.887 -2.488 5.676 114 H GLN 14 H GLN 14 12.844 2.428 1.439 115 HA GLN 14 HA GLN 14 14.087 1.043 -0.701 116 1HB GLN 14 HB2 GLN 14 12.758 3.770 -0.711 117 2HB GLN 14 HB3 GLN 14 13.202 2.887 -2.167 118 1HG GLN 14 HG2 GLN 14 11.622 1.150 -1.759 119 2HG GLN 14 HG3 GLN 14 11.325 1.686 -0.109 120 1HE2 GLN 14 HE22 GLN 14 11.464 4.552 -1.960 121 2HE2 GLN 14 HE21 GLN 14 9.721 4.697 -2.146 122 H GLU 15 H GLU 15 14.807 4.353 0.554 123 HA GLU 15 HA GLU 15 16.947 4.865 -1.242 124 1HB GLU 15 HB2 GLU 15 16.737 5.879 1.629 125 2HB GLU 15 HB3 GLU 15 17.733 6.532 0.329 126 1HG GLU 15 HG2 GLU 15 14.722 6.686 0.607 127 2HG GLU 15 HG3 GLU 15 15.887 7.990 0.481 128 H LYS 16 H LYS 16 17.046 3.306 2.000 129 HA LYS 16 HA LYS 16 19.870 2.922 2.036 130 1HB LYS 16 HB2 LYS 16 17.600 1.395 3.361 131 2HB LYS 16 HB3 LYS 16 19.311 1.024 3.621 132 1HG LYS 16 HG2 LYS 16 19.752 3.284 4.417 133 2HG LYS 16 HG3 LYS 16 18.062 3.751 4.157 134 1HD LYS 16 HD2 LYS 16 17.293 2.087 5.781 135 2HD LYS 16 HD3 LYS 16 18.939 1.477 6.008 136 1HE LYS 16 HE2 LYS 16 18.025 4.316 6.685 137 2HE LYS 16 HE3 LYS 16 18.189 2.991 7.846 138 1HZ LYS 16 HZ1 LYS 16 20.514 2.880 7.296 139 2HZ LYS 16 HZ2 LYS 16 20.363 4.142 6.246 140 3HZ LYS 16 HZ3 LYS 16 20.102 4.374 7.854 141 H GLU 17 H GLU 17 17.255 0.764 0.798 142 HA GLU 17 HA GLU 17 18.987 -1.353 -0.001 143 1HB GLU 17 HB2 GLU 17 16.289 -0.468 -1.091 144 2HB GLU 17 HB3 GLU 17 17.124 -1.951 -1.577 145 1HG GLU 17 HG2 GLU 17 16.269 -1.306 1.284 146 2HG GLU 17 HG3 GLU 17 15.425 -2.380 0.169 147 H ARG 18 H ARG 18 17.726 1.428 -1.887 148 HA ARG 18 HA ARG 18 19.102 0.833 -4.281 149 1HB ARG 18 HB2 ARG 18 17.257 2.494 -3.961 150 2HB ARG 18 HB3 ARG 18 18.419 3.603 -3.207 151 1HG ARG 18 HG2 ARG 18 19.780 3.560 -5.312 152 2HG ARG 18 HG3 ARG 18 18.604 2.452 -6.036 153 1HD ARG 18 HD2 ARG 18 18.085 5.334 -5.166 154 2HD ARG 18 HD3 ARG 18 18.257 4.738 -6.805 155 HE ARG 18 HE ARG 18 16.194 3.666 -6.759 156 1HH1 ARG 18 HH21 ARG 18 16.785 5.289 -3.666 157 2HH1 ARG 18 HH22 ARG 18 15.103 5.396 -3.239 158 1HH2 ARG 18 HH11 ARG 18 14.004 3.721 -6.171 159 2HH2 ARG 18 HH12 ARG 18 13.506 4.434 -4.661 160 H ASN 19 H ASN 19 20.112 2.778 -1.450 161 HA ASN 19 HA ASN 19 22.583 3.676 -2.464 162 1HB ASN 19 HB2 ASN 19 21.593 4.678 -0.488 163 2HB ASN 19 HB3 ASN 19 21.690 3.146 0.393 164 1HD2 ASN 19 HD22 ASN 19 23.868 5.435 -1.401 165 2HD2 ASN 19 HD21 ASN 19 25.199 5.227 -0.278 166 H LYS 20 H LYS 20 21.928 0.747 -0.392 167 HA LYS 20 HA LYS 20 24.698 -0.029 -0.513 168 1HB LYS 20 HB2 LYS 20 24.098 -2.086 0.488 169 2HB LYS 20 HB3 LYS 20 23.219 -0.761 1.267 170 1HG LYS 20 HG2 LYS 20 21.188 -1.386 -0.003 171 2HG LYS 20 HG3 LYS 20 22.061 -2.674 -0.824 172 1HD LYS 20 HD2 LYS 20 20.734 -3.634 0.949 173 2HD LYS 20 HD3 LYS 20 22.454 -3.848 1.288 174 1HE LYS 20 HE2 LYS 20 21.173 -3.244 3.310 175 2HE LYS 20 HE3 LYS 20 22.386 -2.015 2.945 176 1HZ LYS 20 HZ1 LYS 20 20.635 -0.708 1.933 177 2HZ LYS 20 HZ2 LYS 20 19.521 -1.876 2.296 178 3HZ LYS 20 HZ3 LYS 20 20.283 -1.057 3.507 179 H GLY 21 H GLY 21 21.890 -0.764 -2.589 180 1HA GLY 21 HA2 GLY 21 23.073 -2.788 -4.183 181 2HA GLY 21 HA3 GLY 21 21.790 -1.674 -4.686 182 H GLN 22 H GLN 22 22.816 0.726 -4.795 183 HA GLN 22 HA GLN 22 23.650 1.997 -6.481 184 1HB GLN 22 HB2 GLN 22 26.017 2.570 -6.043 185 2HB GLN 22 HB3 GLN 22 24.975 2.535 -4.625 186 1HG GLN 22 HG2 GLN 22 25.896 0.286 -4.010 187 2HG GLN 22 HG3 GLN 22 26.973 0.362 -5.410 188 1HE2 GLN 22 HE22 GLN 22 26.010 2.174 -2.457 189 2HE2 GLN 22 HE21 GLN 22 27.626 2.801 -2.123 Start of MODEL 3 1 1H PHE 1 H1 PHE 1 -4.324 5.076 -1.247 2 2H PHE 1 H2 PHE 1 -2.952 4.174 -1.350 3 3H PHE 1 H3 PHE 1 -3.177 5.443 -2.383 4 HA PHE 1 HA PHE 1 -1.615 5.990 -0.668 5 1HB PHE 1 HB2 PHE 1 -3.056 7.731 -1.685 6 2HB PHE 1 HB3 PHE 1 -4.263 7.468 -0.433 7 HD1 PHE 1 HD1 PHE 1 -1.055 9.036 -1.268 8 HD2 PHE 1 HD2 PHE 1 -3.779 8.121 1.952 9 HE1 PHE 1 HE1 PHE 1 0.094 10.687 0.180 10 HE2 PHE 1 HE2 PHE 1 -2.606 9.753 3.402 11 HZ PHE 1 HZ PHE 1 -0.677 11.048 2.516 12 H VAL 2 H VAL 2 -0.963 5.480 1.366 13 HA VAL 2 HA VAL 2 -2.638 5.567 3.611 14 HB VAL 2 HB VAL 2 -3.582 3.490 2.976 15 1HG1 VAL 2 HG11 VAL 2 -0.835 2.210 2.783 16 2HG1 VAL 2 HG12 VAL 2 -2.406 1.433 2.573 17 3HG1 VAL 2 HG13 VAL 2 -1.865 2.642 1.404 18 1HG2 VAL 2 HG21 VAL 2 -3.125 3.797 5.353 19 2HG2 VAL 2 HG22 VAL 2 -3.065 2.089 4.886 20 3HG2 VAL 2 HG23 VAL 2 -1.560 2.979 5.181 21 HA PRO 3 HA PRO 3 1.789 6.019 4.636 22 1HB PRO 3 HB2 PRO 3 1.587 7.435 6.944 23 2HB PRO 3 HB3 PRO 3 1.125 8.144 5.375 24 1HG PRO 3 HG2 PRO 3 -0.702 6.854 7.419 25 2HG PRO 3 HG3 PRO 3 -0.880 8.462 6.662 26 1HD PRO 3 HD2 PRO 3 -2.163 6.235 5.723 27 2HD PRO 3 HD3 PRO 3 -1.578 7.512 4.611 28 H ILE 4 H ILE 4 1.139 3.531 4.795 29 HA ILE 4 HA ILE 4 0.216 2.262 6.992 30 HB ILE 4 HB ILE 4 2.203 0.458 6.111 31 1HG1 ILE 4 HG12 ILE 4 2.117 0.439 3.704 32 2HG1 ILE 4 HG13 ILE 4 1.251 1.965 3.652 33 1HG2 ILE 4 HG21 ILE 4 -0.590 0.832 5.003 34 2HG2 ILE 4 HG22 ILE 4 0.393 -0.643 4.947 35 3HG2 ILE 4 HG23 ILE 4 -0.164 -0.017 6.506 36 1HD1 ILE 4 HD11 ILE 4 3.626 2.156 3.074 37 2HD1 ILE 4 HD12 ILE 4 3.272 3.148 4.477 38 3HD1 ILE 4 HD13 ILE 4 4.091 1.578 4.689 39 H PHE 5 H PHE 5 3.626 2.796 6.443 40 HA PHE 5 HA PHE 5 4.128 2.513 9.405 41 1HB PHE 5 HB2 PHE 5 6.233 2.158 7.278 42 2HB PHE 5 HB3 PHE 5 6.262 1.624 8.951 43 HD1 PHE 5 HD1 PHE 5 3.838 0.054 9.325 44 HD2 PHE 5 HD2 PHE 5 6.366 0.325 5.836 45 HE1 PHE 5 HE1 PHE 5 2.976 -2.123 8.522 46 HE2 PHE 5 HE2 PHE 5 5.488 -1.846 5.035 47 HZ PHE 5 HZ PHE 5 3.786 -3.070 6.367 48 H THR 6 H THR 6 3.337 4.830 7.508 49 HA THR 6 HA THR 6 3.889 6.964 7.080 50 HB THR 6 HB THR 6 6.225 6.776 9.031 51 HG1 THR 6 HG1 THR 6 4.169 6.190 9.922 52 1HG2 THR 6 HG21 THR 6 4.571 9.118 8.002 53 2HG2 THR 6 HG22 THR 6 5.832 9.188 9.246 54 3HG2 THR 6 HG23 THR 6 6.266 8.772 7.579 55 H TYR 7 H TYR 7 4.472 7.083 5.034 56 HA TYR 7 HA TYR 7 6.049 5.558 3.535 57 1HB TYR 7 HB2 TYR 7 5.839 8.563 3.135 58 2HB TYR 7 HB3 TYR 7 6.199 7.370 1.892 59 HD1 TYR 7 HD1 TYR 7 3.599 9.273 3.390 60 HD2 TYR 7 HD2 TYR 7 4.401 5.441 1.574 61 HE1 TYR 7 HE1 TYR 7 1.217 9.059 2.789 62 HE2 TYR 7 HE2 TYR 7 2.001 5.228 0.982 63 HH TYR 7 HH TYR 7 -0.335 7.852 1.617 64 H GLY 8 H GLY 8 7.312 8.329 5.303 65 1HA GLY 8 HA2 GLY 8 9.902 8.699 4.491 66 2HA GLY 8 HA3 GLY 8 9.389 8.711 6.181 67 H GLU 9 H GLU 9 8.730 5.976 6.571 68 HA GLU 9 HA GLU 9 11.335 4.904 7.114 69 1HB GLU 9 HB2 GLU 9 8.620 3.505 7.010 70 2HB GLU 9 HB3 GLU 9 10.098 2.856 7.737 71 1HG GLU 9 HG2 GLU 9 8.569 5.336 8.662 72 2HG GLU 9 HG3 GLU 9 8.622 3.764 9.460 73 H LEU 10 H LEU 10 8.923 4.212 4.564 74 HA LEU 10 HA LEU 10 10.498 2.128 3.320 75 1HB LEU 10 HB2 LEU 10 8.277 3.865 2.173 76 2HB LEU 10 HB3 LEU 10 8.986 2.452 1.395 77 HG LEU 10 HG LEU 10 7.433 2.437 4.027 78 1HD1 LEU 10 HD11 LEU 10 6.736 1.462 1.223 79 2HD1 LEU 10 HD12 LEU 10 5.751 1.213 2.675 80 3HD1 LEU 10 HD13 LEU 10 6.021 2.857 2.062 81 1HD2 LEU 10 HD21 LEU 10 9.045 0.622 4.109 82 2HD2 LEU 10 HD22 LEU 10 7.484 -0.074 3.675 83 3HD2 LEU 10 HD23 LEU 10 8.710 0.176 2.418 84 H GLN 11 H GLN 11 10.287 5.681 2.945 85 HA GLN 11 HA GLN 11 11.965 5.778 0.615 86 1HB GLN 11 HB2 GLN 11 11.877 7.936 2.759 87 2HB GLN 11 HB3 GLN 11 12.354 8.069 1.068 88 1HG GLN 11 HG2 GLN 11 9.606 7.936 2.254 89 2HG GLN 11 HG3 GLN 11 10.260 9.023 1.047 90 1HE2 GLN 11 HE22 GLN 11 8.550 6.049 1.601 91 2HE2 GLN 11 HE21 GLN 11 8.336 5.630 -0.101 92 H ARG 12 H ARG 12 12.758 6.050 4.119 93 HA ARG 12 HA ARG 12 15.543 6.232 3.798 94 1HB ARG 12 HB2 ARG 12 14.238 6.603 5.902 95 2HB ARG 12 HB3 ARG 12 14.108 4.843 6.096 96 1HG ARG 12 HG2 ARG 12 16.621 4.701 6.068 97 2HG ARG 12 HG3 ARG 12 16.697 6.462 5.917 98 1HD ARG 12 HD2 ARG 12 15.569 4.889 8.282 99 2HD ARG 12 HD3 ARG 12 17.096 5.747 8.215 100 HE ARG 12 HE ARG 12 16.065 7.828 8.276 101 1HH1 ARG 12 HH21 ARG 12 13.612 5.264 8.359 102 2HH1 ARG 12 HH22 ARG 12 12.389 6.289 9.062 103 1HH2 ARG 12 HH11 ARG 12 14.438 9.165 9.128 104 2HH2 ARG 12 HH12 ARG 12 12.848 8.526 9.454 105 H MET 13 H MET 13 13.487 3.291 4.157 106 HA MET 13 HA MET 13 15.573 1.372 4.017 107 1HB MET 13 HB2 MET 13 12.668 1.265 3.138 108 2HB MET 13 HB3 MET 13 13.742 -0.141 3.127 109 1HG MET 13 HG2 MET 13 14.015 -0.117 5.483 110 2HG MET 13 HG3 MET 13 13.370 1.512 5.646 111 1HE MET 13 HE1 MET 13 11.726 -1.401 3.495 112 2HE MET 13 HE2 MET 13 12.480 -2.231 4.882 113 3HE MET 13 HE3 MET 13 10.707 -2.149 4.744 114 H GLN 14 H GLN 14 13.661 2.861 1.346 115 HA GLN 14 HA GLN 14 14.933 1.483 -0.766 116 1HB GLN 14 HB2 GLN 14 12.843 2.852 -0.935 117 2HB GLN 14 HB3 GLN 14 13.800 4.318 -0.753 118 1HG GLN 14 HG2 GLN 14 13.276 3.953 -3.097 119 2HG GLN 14 HG3 GLN 14 15.017 3.841 -2.841 120 1HE2 GLN 14 HE22 GLN 14 12.266 1.488 -2.473 121 2HE2 GLN 14 HE21 GLN 14 13.010 0.273 -3.501 122 H GLU 15 H GLU 15 15.746 4.636 0.745 123 HA GLU 15 HA GLU 15 18.011 5.266 -0.829 124 1HB GLU 15 HB2 GLU 15 17.330 5.912 2.065 125 2HB GLU 15 HB3 GLU 15 18.695 6.623 1.201 126 1HG GLU 15 HG2 GLU 15 17.298 7.767 -0.343 127 2HG GLU 15 HG3 GLU 15 15.874 6.814 0.071 128 H LYS 16 H LYS 16 17.818 3.416 2.262 129 HA LYS 16 HA LYS 16 20.605 2.847 2.461 130 1HB LYS 16 HB2 LYS 16 18.150 1.371 3.478 131 2HB LYS 16 HB3 LYS 16 19.815 0.894 3.852 132 1HG LYS 16 HG2 LYS 16 20.271 3.001 4.954 133 2HG LYS 16 HG3 LYS 16 18.753 3.695 4.402 134 1HD LYS 16 HD2 LYS 16 18.592 3.057 6.761 135 2HD LYS 16 HD3 LYS 16 17.443 2.162 5.760 136 1HE LYS 16 HE2 LYS 16 18.511 0.729 7.474 137 2HE LYS 16 HE3 LYS 16 18.857 0.154 5.840 138 1HZ LYS 16 HZ1 LYS 16 20.995 1.214 5.989 139 2HZ LYS 16 HZ2 LYS 16 20.662 1.776 7.504 140 3HZ LYS 16 HZ3 LYS 16 20.794 0.155 7.235 141 H GLU 17 H GLU 17 17.935 0.959 0.960 142 HA GLU 17 HA GLU 17 19.448 -1.239 0.088 143 1HB GLU 17 HB2 GLU 17 16.982 -1.063 0.059 144 2HB GLU 17 HB3 GLU 17 17.054 0.046 -1.310 145 1HG GLU 17 HG2 GLU 17 18.221 -2.779 -1.375 146 2HG GLU 17 HG3 GLU 17 16.550 -2.405 -1.813 147 H ARG 18 H ARG 18 18.749 1.841 -1.662 148 HA ARG 18 HA ARG 18 20.390 1.107 -3.873 149 1HB ARG 18 HB2 ARG 18 19.430 3.827 -2.942 150 2HB ARG 18 HB3 ARG 18 20.221 3.552 -4.497 151 1HG ARG 18 HG2 ARG 18 17.644 2.110 -3.714 152 2HG ARG 18 HG3 ARG 18 17.668 3.705 -4.456 153 1HD ARG 18 HD2 ARG 18 17.274 2.150 -6.179 154 2HD ARG 18 HD3 ARG 18 18.898 2.775 -6.430 155 HE ARG 18 HE ARG 18 18.093 0.113 -5.274 156 1HH1 ARG 18 HH21 ARG 18 20.673 2.005 -6.912 157 2HH1 ARG 18 HH22 ARG 18 21.795 0.659 -6.779 158 1HH2 ARG 18 HH11 ARG 18 19.635 -1.573 -5.267 159 2HH2 ARG 18 HH12 ARG 18 21.203 -1.289 -6.015 160 H ASN 19 H ASN 19 21.154 2.963 -0.953 161 HA ASN 19 HA ASN 19 23.792 3.712 -1.688 162 1HB ASN 19 HB2 ASN 19 22.740 4.635 0.295 163 2HB ASN 19 HB3 ASN 19 22.578 3.029 1.017 164 1HD2 ASN 19 HD22 ASN 19 25.203 5.127 -0.374 165 2HD2 ASN 19 HD21 ASN 19 26.364 4.686 0.866 166 H LYS 20 H LYS 20 22.552 0.694 -0.180 167 HA LYS 20 HA LYS 20 25.129 -0.588 -0.008 168 1HB LYS 20 HB2 LYS 20 22.286 -1.666 -0.100 169 2HB LYS 20 HB3 LYS 20 23.730 -2.673 0.154 170 1HG LYS 20 HG2 LYS 20 24.247 -1.626 2.224 171 2HG LYS 20 HG3 LYS 20 23.168 -0.267 1.916 172 1HD LYS 20 HD2 LYS 20 22.226 -1.727 3.592 173 2HD LYS 20 HD3 LYS 20 21.184 -1.659 2.173 174 1HE LYS 20 HE2 LYS 20 23.202 -3.917 2.581 175 2HE LYS 20 HE3 LYS 20 21.599 -3.952 3.329 176 1HZ LYS 20 HZ1 LYS 20 20.614 -3.777 1.180 177 2HZ LYS 20 HZ2 LYS 20 22.085 -3.773 0.448 178 3HZ LYS 20 HZ3 LYS 20 21.587 -5.103 1.276 179 H GLY 21 H GLY 21 22.414 -1.172 -2.320 180 1HA GLY 21 HA2 GLY 21 24.178 -2.644 -4.152 181 2HA GLY 21 HA3 GLY 21 22.446 -2.325 -4.323 182 H GLN 22 H GLN 22 25.330 -0.216 -3.959 183 HA GLN 22 HA GLN 22 24.230 1.822 -5.593 184 1HB GLN 22 HB2 GLN 22 25.876 2.231 -3.828 185 2HB GLN 22 HB3 GLN 22 27.104 1.320 -4.717 186 1HG GLN 22 HG2 GLN 22 27.448 3.728 -4.911 187 2HG GLN 22 HG3 GLN 22 27.113 3.039 -6.496 188 1HE2 GLN 22 HE22 GLN 22 24.892 3.364 -7.403 189 2HE2 GLN 22 HE21 GLN 22 24.002 4.796 -6.887 Start of MODEL 4 1 1H PHE 1 H1 PHE 1 -2.360 7.423 0.657 2 2H PHE 1 H2 PHE 1 -1.504 6.873 -0.642 3 3H PHE 1 H3 PHE 1 -1.738 8.489 -0.430 4 HA PHE 1 HA PHE 1 0.460 7.962 0.111 5 1HB PHE 1 HB2 PHE 1 -0.717 9.713 1.411 6 2HB PHE 1 HB3 PHE 1 -1.186 8.510 2.606 7 HD1 PHE 1 HD1 PHE 1 0.161 8.364 4.539 8 HD2 PHE 1 HD2 PHE 1 1.897 9.873 0.894 9 HE1 PHE 1 HE1 PHE 1 2.212 9.012 5.779 10 HE2 PHE 1 HE2 PHE 1 3.935 10.531 2.141 11 HZ PHE 1 HZ PHE 1 4.087 10.123 4.589 12 H VAL 2 H VAL 2 -1.843 6.035 1.974 13 HA VAL 2 HA VAL 2 -1.715 4.009 2.989 14 HB VAL 2 HB VAL 2 0.409 3.396 0.906 15 1HG1 VAL 2 HG11 VAL 2 -0.538 1.120 1.050 16 2HG1 VAL 2 HG12 VAL 2 0.081 1.620 2.625 17 3HG1 VAL 2 HG13 VAL 2 -1.666 1.648 2.314 18 1HG2 VAL 2 HG21 VAL 2 -2.635 3.382 0.684 19 2HG2 VAL 2 HG22 VAL 2 -1.513 4.410 -0.237 20 3HG2 VAL 2 HG23 VAL 2 -1.520 2.667 -0.497 21 HA PRO 3 HA PRO 3 2.076 5.212 5.315 22 1HB PRO 3 HB2 PRO 3 1.033 5.920 7.740 23 2HB PRO 3 HB3 PRO 3 0.885 6.952 6.303 24 1HG PRO 3 HG2 PRO 3 -1.149 4.956 7.332 25 2HG PRO 3 HG3 PRO 3 -1.418 6.682 6.953 26 1HD PRO 3 HD2 PRO 3 -1.971 4.705 5.159 27 2HD PRO 3 HD3 PRO 3 -1.302 6.274 4.621 28 H ILE 4 H ILE 4 1.896 2.649 4.776 29 HA ILE 4 HA ILE 4 0.938 0.820 6.542 30 HB ILE 4 HB ILE 4 3.272 -0.468 5.690 31 1HG1 ILE 4 HG12 ILE 4 3.619 0.029 3.367 32 2HG1 ILE 4 HG13 ILE 4 2.501 1.379 3.393 33 1HG2 ILE 4 HG21 ILE 4 1.829 -1.440 3.957 34 2HG2 ILE 4 HG22 ILE 4 0.995 -1.306 5.512 35 3HG2 ILE 4 HG23 ILE 4 0.640 -0.145 4.216 36 1HD1 ILE 4 HD11 ILE 4 5.151 1.214 4.906 37 2HD1 ILE 4 HD12 ILE 4 4.870 2.070 3.381 38 3HD1 ILE 4 HD13 ILE 4 4.104 2.652 4.843 39 H PHE 5 H PHE 5 4.187 2.106 6.731 40 HA PHE 5 HA PHE 5 4.004 1.904 9.677 41 1HB PHE 5 HB2 PHE 5 6.371 1.256 9.871 42 2HB PHE 5 HB3 PHE 5 5.350 -0.012 9.223 43 HD1 PHE 5 HD1 PHE 5 8.158 2.262 8.517 44 HD2 PHE 5 HD2 PHE 5 5.593 -0.808 6.909 45 HE1 PHE 5 HE1 PHE 5 9.807 1.822 6.719 46 HE2 PHE 5 HE2 PHE 5 7.255 -1.254 5.123 47 HZ PHE 5 HZ PHE 5 9.378 0.036 5.047 48 H THR 6 H THR 6 3.328 3.866 7.882 49 HA THR 6 HA THR 6 3.566 6.107 7.555 50 HB THR 6 HB THR 6 6.377 6.178 8.685 51 HG1 THR 6 HG1 THR 6 5.202 5.275 10.268 52 1HG2 THR 6 HG21 THR 6 5.753 8.482 9.225 53 2HG2 THR 6 HG22 THR 6 5.548 8.187 7.487 54 3HG2 THR 6 HG23 THR 6 4.128 8.228 8.561 55 H TYR 7 H TYR 7 3.661 6.328 5.391 56 HA TYR 7 HA TYR 7 5.144 4.700 3.721 57 1HB TYR 7 HB2 TYR 7 3.070 5.934 3.149 58 2HB TYR 7 HB3 TYR 7 3.992 7.430 3.079 59 HD1 TYR 7 HD1 TYR 7 3.627 4.047 1.533 60 HD2 TYR 7 HD2 TYR 7 5.106 8.069 1.062 61 HE1 TYR 7 HE1 TYR 7 4.288 3.535 -0.806 62 HE2 TYR 7 HE2 TYR 7 5.739 7.561 -1.279 63 HH TYR 7 HH TYR 7 6.595 5.468 -2.390 64 H GLY 8 H GLY 8 5.895 7.990 4.760 65 1HA GLY 8 HA2 GLY 8 8.203 8.621 3.341 66 2HA GLY 8 HA3 GLY 8 7.921 9.052 5.035 67 H GLU 9 H GLU 9 7.903 6.412 6.192 68 HA GLU 9 HA GLU 9 10.777 6.062 6.418 69 1HB GLU 9 HB2 GLU 9 8.472 4.486 7.628 70 2HB GLU 9 HB3 GLU 9 10.182 4.298 8.036 71 1HG GLU 9 HG2 GLU 9 8.536 6.842 8.429 72 2HG GLU 9 HG3 GLU 9 9.019 5.706 9.693 73 H LEU 10 H LEU 10 8.125 4.405 4.699 74 HA LEU 10 HA LEU 10 9.792 2.180 3.878 75 1HB LEU 10 HB2 LEU 10 7.404 1.933 3.816 76 2HB LEU 10 HB3 LEU 10 7.222 3.307 2.733 77 HG LEU 10 HG LEU 10 8.422 2.084 0.943 78 1HD1 LEU 10 HD11 LEU 10 9.823 0.538 2.299 79 2HD1 LEU 10 HD12 LEU 10 8.350 -0.287 2.859 80 3HD1 LEU 10 HD13 LEU 10 8.814 -0.340 1.149 81 1HD2 LEU 10 HD21 LEU 10 5.957 2.010 1.121 82 2HD2 LEU 10 HD22 LEU 10 6.638 0.542 0.398 83 3HD2 LEU 10 HD23 LEU 10 6.090 0.518 2.085 84 H GLN 11 H GLN 11 9.251 5.501 2.681 85 HA GLN 11 HA GLN 11 10.745 5.061 0.213 86 1HB GLN 11 HB2 GLN 11 10.305 7.726 1.566 87 2HB GLN 11 HB3 GLN 11 10.745 7.380 -0.105 88 1HG GLN 11 HG2 GLN 11 8.074 7.215 1.223 89 2HG GLN 11 HG3 GLN 11 8.513 7.841 -0.353 90 1HE2 GLN 11 HE22 GLN 11 7.440 5.046 1.438 91 2HE2 GLN 11 HE21 GLN 11 7.200 3.991 0.049 92 H ARG 12 H ARG 12 11.590 6.367 3.421 93 HA ARG 12 HA ARG 12 14.348 6.750 2.986 94 1HB ARG 12 HB2 ARG 12 13.082 7.480 4.971 95 2HB ARG 12 HB3 ARG 12 12.919 5.797 5.501 96 1HG ARG 12 HG2 ARG 12 15.335 5.571 5.729 97 2HG ARG 12 HG3 ARG 12 15.584 7.213 5.097 98 1HD ARG 12 HD2 ARG 12 13.989 6.505 7.600 99 2HD ARG 12 HD3 ARG 12 15.681 7.041 7.623 100 HE ARG 12 HE ARG 12 14.462 9.025 6.201 101 1HH1 ARG 12 HH21 ARG 12 13.724 7.584 9.350 102 2HH1 ARG 12 HH22 ARG 12 13.124 9.063 10.036 103 1HH2 ARG 12 HH11 ARG 12 13.634 10.947 7.080 104 2HH2 ARG 12 HH12 ARG 12 13.052 10.998 8.722 105 H MET 13 H MET 13 12.620 3.788 4.111 106 HA MET 13 HA MET 13 14.846 2.105 4.329 107 1HB MET 13 HB2 MET 13 12.595 1.564 5.149 108 2HB MET 13 HB3 MET 13 11.996 1.409 3.489 109 1HG MET 13 HG2 MET 13 13.513 -0.470 3.076 110 2HG MET 13 HG3 MET 13 14.185 -0.325 4.704 111 1HE MET 13 HE1 MET 13 12.963 -1.124 6.882 112 2HE MET 13 HE2 MET 13 11.666 0.062 6.593 113 3HE MET 13 HE3 MET 13 11.259 -1.631 6.930 114 H GLN 14 H GLN 14 12.678 2.512 1.450 115 HA GLN 14 HA GLN 14 14.160 0.923 -0.348 116 1HB GLN 14 HB2 GLN 14 12.544 3.452 -0.761 117 2HB GLN 14 HB3 GLN 14 13.270 2.562 -2.103 118 1HG GLN 14 HG2 GLN 14 11.976 0.606 -1.697 119 2HG GLN 14 HG3 GLN 14 11.418 1.184 -0.120 120 1HE2 GLN 14 HE22 GLN 14 10.124 3.154 -0.078 121 2HE2 GLN 14 HE21 GLN 14 9.122 3.626 -1.462 122 H GLU 15 H GLU 15 14.587 4.410 0.432 123 HA GLU 15 HA GLU 15 16.633 4.987 -1.370 124 1HB GLU 15 HB2 GLU 15 15.343 6.618 -0.057 125 2HB GLU 15 HB3 GLU 15 16.221 6.178 1.409 126 1HG GLU 15 HG2 GLU 15 17.589 7.236 -1.094 127 2HG GLU 15 HG3 GLU 15 16.962 8.280 0.181 128 H LYS 16 H LYS 16 16.923 3.746 2.011 129 HA LYS 16 HA LYS 16 19.805 3.535 1.896 130 1HB LYS 16 HB2 LYS 16 17.675 2.334 3.701 131 2HB LYS 16 HB3 LYS 16 19.333 1.734 3.731 132 1HG LYS 16 HG2 LYS 16 19.281 3.329 5.428 133 2HG LYS 16 HG3 LYS 16 20.163 4.075 4.093 134 1HD LYS 16 HD2 LYS 16 17.965 5.256 3.465 135 2HD LYS 16 HD3 LYS 16 17.265 4.540 4.920 136 1HE LYS 16 HE2 LYS 16 17.939 6.803 5.439 137 2HE LYS 16 HE3 LYS 16 19.071 5.723 6.270 138 1HZ LYS 16 HZ1 LYS 16 20.617 6.113 4.475 139 2HZ LYS 16 HZ2 LYS 16 19.523 7.063 3.688 140 3HZ LYS 16 HZ3 LYS 16 20.148 7.548 5.136 141 H GLU 17 H GLU 17 17.184 1.164 1.246 142 HA GLU 17 HA GLU 17 18.846 -1.047 0.853 143 1HB GLU 17 HB2 GLU 17 16.133 -0.386 -0.327 144 2HB GLU 17 HB3 GLU 17 16.943 -1.928 -0.611 145 1HG GLU 17 HG2 GLU 17 16.301 -0.863 2.176 146 2HG GLU 17 HG3 GLU 17 15.309 -2.016 1.278 147 H ARG 18 H ARG 18 18.110 1.541 -1.470 148 HA ARG 18 HA ARG 18 19.162 0.559 -3.841 149 1HB ARG 18 HB2 ARG 18 19.924 3.214 -2.576 150 2HB ARG 18 HB3 ARG 18 20.113 2.783 -4.274 151 1HG ARG 18 HG2 ARG 18 17.633 2.497 -4.482 152 2HG ARG 18 HG3 ARG 18 17.460 3.086 -2.821 153 1HD ARG 18 HD2 ARG 18 18.688 4.596 -5.136 154 2HD ARG 18 HD3 ARG 18 17.109 4.924 -4.387 155 HE ARG 18 HE ARG 18 18.869 5.072 -2.269 156 1HH1 ARG 18 HH21 ARG 18 18.609 6.706 -5.397 157 2HH1 ARG 18 HH22 ARG 18 19.536 8.100 -4.912 158 1HH2 ARG 18 HH11 ARG 18 20.027 6.926 -1.598 159 2HH2 ARG 18 HH12 ARG 18 20.373 8.217 -2.719 160 H ASN 19 H ASN 19 21.024 1.375 -0.887 161 HA ASN 19 HA ASN 19 23.568 1.402 -2.063 162 1HB ASN 19 HB2 ASN 19 23.067 2.243 0.200 163 2HB ASN 19 HB3 ASN 19 22.860 0.573 0.766 164 1HD2 ASN 19 HD22 ASN 19 24.690 -0.038 1.919 165 2HD2 ASN 19 HD21 ASN 19 26.329 0.344 1.422 166 H LYS 20 H LYS 20 21.524 -1.389 -1.280 167 HA LYS 20 HA LYS 20 23.710 -3.332 -1.321 168 1HB LYS 20 HB2 LYS 20 20.688 -3.581 -1.595 169 2HB LYS 20 HB3 LYS 20 21.797 -4.935 -1.789 170 1HG LYS 20 HG2 LYS 20 20.936 -4.979 0.426 171 2HG LYS 20 HG3 LYS 20 22.674 -4.649 0.479 172 1HD LYS 20 HD2 LYS 20 22.267 -2.301 1.016 173 2HD LYS 20 HD3 LYS 20 20.545 -2.479 0.632 174 1HE LYS 20 HE2 LYS 20 20.866 -2.414 3.053 175 2HE LYS 20 HE3 LYS 20 20.240 -3.992 2.557 176 1HZ LYS 20 HZ1 LYS 20 22.463 -4.853 2.700 177 2HZ LYS 20 HZ2 LYS 20 23.056 -3.380 3.141 178 3HZ LYS 20 HZ3 LYS 20 22.015 -4.182 4.136 179 H GLY 21 H GLY 21 21.715 -1.657 -3.711 180 1HA GLY 21 HA2 GLY 21 22.494 -3.368 -5.969 181 2HA GLY 21 HA3 GLY 21 21.618 -1.828 -6.010 182 H GLN 22 H GLN 22 23.330 -0.202 -4.533 183 HA GLN 22 HA GLN 22 25.181 0.721 -6.416 184 1HB GLN 22 HB2 GLN 22 24.275 1.989 -4.474 185 2HB GLN 22 HB3 GLN 22 25.322 1.038 -3.394 186 1HG GLN 22 HG2 GLN 22 27.320 1.977 -4.357 187 2HG GLN 22 HG3 GLN 22 26.402 2.709 -5.684 188 1HE2 GLN 22 HE22 GLN 22 26.029 2.719 -2.014 189 2HE2 GLN 22 HE21 GLN 22 25.925 4.465 -1.967 Start of MODEL 5 1 1H PHE 1 H1 PHE 1 -5.075 5.425 -0.055 2 2H PHE 1 H2 PHE 1 -4.242 6.366 -1.132 3 3H PHE 1 H3 PHE 1 -4.859 7.021 0.260 4 HA PHE 1 HA PHE 1 -2.787 4.977 0.157 5 1HB PHE 1 HB2 PHE 1 -1.958 7.120 -0.697 6 2HB PHE 1 HB3 PHE 1 -2.601 7.961 0.711 7 HD1 PHE 1 HD1 PHE 1 -1.165 8.357 2.555 8 HD2 PHE 1 HD2 PHE 1 -0.229 5.170 -0.199 9 HE1 PHE 1 HE1 PHE 1 0.929 7.895 3.796 10 HE2 PHE 1 HE2 PHE 1 1.833 4.674 1.087 11 HZ PHE 1 HZ PHE 1 2.395 6.008 3.103 12 H VAL 2 H VAL 2 -1.775 4.584 2.267 13 HA VAL 2 HA VAL 2 -3.286 5.408 4.642 14 HB VAL 2 HB VAL 2 -4.312 3.319 4.017 15 1HG1 VAL 2 HG11 VAL 2 -2.529 2.329 2.595 16 2HG1 VAL 2 HG12 VAL 2 -1.586 1.981 4.060 17 3HG1 VAL 2 HG13 VAL 2 -3.153 1.205 3.806 18 1HG2 VAL 2 HG21 VAL 2 -2.400 2.887 6.348 19 2HG2 VAL 2 HG22 VAL 2 -3.992 3.686 6.405 20 3HG2 VAL 2 HG23 VAL 2 -3.878 1.967 6.017 21 HA PRO 3 HA PRO 3 1.060 5.984 5.444 22 1HB PRO 3 HB2 PRO 3 1.038 6.947 7.998 23 2HB PRO 3 HB3 PRO 3 0.282 7.817 6.642 24 1HG PRO 3 HG2 PRO 3 -1.075 5.940 8.600 25 2HG PRO 3 HG3 PRO 3 -1.538 7.625 8.213 26 1HD PRO 3 HD2 PRO 3 -2.720 5.525 6.976 27 2HD PRO 3 HD3 PRO 3 -2.315 7.006 6.059 28 H ILE 4 H ILE 4 0.642 3.333 5.320 29 HA ILE 4 HA ILE 4 0.782 1.724 7.541 30 HB ILE 4 HB ILE 4 2.459 0.336 5.832 31 1HG1 ILE 4 HG12 ILE 4 1.693 0.558 3.572 32 2HG1 ILE 4 HG13 ILE 4 0.672 1.931 3.964 33 1HG2 ILE 4 HG21 ILE 4 -0.564 0.561 5.717 34 2HG2 ILE 4 HG22 ILE 4 0.405 -0.777 5.062 35 3HG2 ILE 4 HG23 ILE 4 0.390 -0.470 6.804 36 1HD1 ILE 4 HD11 ILE 4 3.710 1.957 4.107 37 2HD1 ILE 4 HD12 ILE 4 2.737 2.489 2.726 38 3HD1 ILE 4 HD13 ILE 4 2.612 3.368 4.241 39 H PHE 5 H PHE 5 3.592 2.976 5.861 40 HA PHE 5 HA PHE 5 5.109 2.973 8.425 41 1HB PHE 5 HB2 PHE 5 6.521 2.553 5.794 42 2HB PHE 5 HB3 PHE 5 7.048 2.180 7.441 43 HD1 PHE 5 HD1 PHE 5 5.994 0.679 4.455 44 HD2 PHE 5 HD2 PHE 5 5.451 0.417 8.727 45 HE1 PHE 5 HE1 PHE 5 5.181 -1.647 4.212 46 HE2 PHE 5 HE2 PHE 5 4.646 -1.912 8.476 47 HZ PHE 5 HZ PHE 5 4.502 -2.947 6.218 48 H THR 6 H THR 6 3.343 4.850 7.418 49 HA THR 6 HA THR 6 3.085 7.031 6.923 50 HB THR 6 HB THR 6 5.858 7.539 8.025 51 HG1 THR 6 HG1 THR 6 5.264 6.005 9.420 52 1HG2 THR 6 HG21 THR 6 4.635 9.260 9.310 53 2HG2 THR 6 HG22 THR 6 4.324 9.472 7.579 54 3HG2 THR 6 HG23 THR 6 3.098 8.712 8.612 55 H TYR 7 H TYR 7 4.566 5.464 4.836 56 HA TYR 7 HA TYR 7 5.479 5.642 2.809 57 1HB TYR 7 HB2 TYR 7 4.031 7.512 2.260 58 2HB TYR 7 HB3 TYR 7 5.099 8.652 3.064 59 HD1 TYR 7 HD1 TYR 7 7.004 9.570 1.955 60 HD2 TYR 7 HD2 TYR 7 4.933 6.196 0.246 61 HE1 TYR 7 HE1 TYR 7 8.515 9.633 -0.009 62 HE2 TYR 7 HE2 TYR 7 6.450 6.253 -1.706 63 HH TYR 7 HH TYR 7 8.216 7.341 -2.721 64 H GLY 8 H GLY 8 6.728 8.300 4.744 65 1HA GLY 8 HA2 GLY 8 9.264 8.652 3.812 66 2HA GLY 8 HA3 GLY 8 8.817 8.865 5.510 67 H GLU 9 H GLU 9 8.277 6.092 6.184 68 HA GLU 9 HA GLU 9 11.009 5.307 6.758 69 1HB GLU 9 HB2 GLU 9 8.443 3.751 7.008 70 2HB GLU 9 HB3 GLU 9 9.955 3.357 7.816 71 1HG GLU 9 HG2 GLU 9 9.792 5.240 9.285 72 2HG GLU 9 HG3 GLU 9 8.537 6.022 8.321 73 H LEU 10 H LEU 10 8.531 4.388 4.381 74 HA LEU 10 HA LEU 10 9.898 2.025 3.409 75 1HB LEU 10 HB2 LEU 10 7.330 3.002 3.224 76 2HB LEU 10 HB3 LEU 10 7.951 3.451 1.637 77 HG LEU 10 HG LEU 10 7.939 0.661 2.886 78 1HD1 LEU 10 HD11 LEU 10 6.202 0.171 1.218 79 2HD1 LEU 10 HD12 LEU 10 5.695 1.536 2.229 80 3HD1 LEU 10 HD13 LEU 10 6.303 1.828 0.589 81 1HD2 LEU 10 HD21 LEU 10 8.754 1.510 0.075 82 2HD2 LEU 10 HD22 LEU 10 9.845 0.856 1.322 83 3HD2 LEU 10 HD23 LEU 10 8.573 -0.159 0.638 84 H GLN 11 H GLN 11 9.603 5.471 2.481 85 HA GLN 11 HA GLN 11 11.294 5.378 0.184 86 1HB GLN 11 HB2 GLN 11 9.908 7.288 0.656 87 2HB GLN 11 HB3 GLN 11 10.766 7.623 2.162 88 1HG GLN 11 HG2 GLN 11 11.437 9.136 0.306 89 2HG GLN 11 HG3 GLN 11 12.786 8.228 0.988 90 1HE2 GLN 11 HE22 GLN 11 10.300 7.775 -1.677 91 2HE2 GLN 11 HE21 GLN 11 11.503 7.169 -2.802 92 H ARG 12 H ARG 12 12.102 6.015 3.648 93 HA ARG 12 HA ARG 12 14.877 6.232 3.291 94 1HB ARG 12 HB2 ARG 12 13.602 6.797 5.343 95 2HB ARG 12 HB3 ARG 12 13.441 5.070 5.713 96 1HG ARG 12 HG2 ARG 12 15.915 4.856 5.793 97 2HG ARG 12 HG3 ARG 12 16.081 6.563 5.365 98 1HD ARG 12 HD2 ARG 12 14.758 5.432 7.875 99 2HD ARG 12 HD3 ARG 12 16.354 6.174 7.823 100 HE ARG 12 HE ARG 12 13.779 7.484 7.941 101 1HH1 ARG 12 HH21 ARG 12 17.065 7.917 6.721 102 2HH1 ARG 12 HH22 ARG 12 17.002 9.657 6.748 103 1HH2 ARG 12 HH11 ARG 12 13.674 9.753 7.979 104 2HH2 ARG 12 HH12 ARG 12 15.035 10.718 7.476 105 H MET 13 H MET 13 12.899 3.272 3.904 106 HA MET 13 HA MET 13 15.051 1.465 3.954 107 1HB MET 13 HB2 MET 13 12.673 0.966 4.583 108 2HB MET 13 HB3 MET 13 12.245 0.953 2.865 109 1HG MET 13 HG2 MET 13 12.566 -1.311 3.675 110 2HG MET 13 HG3 MET 13 13.827 -0.927 2.503 111 1HE MET 13 HE1 MET 13 13.897 -3.463 4.387 112 2HE MET 13 HE2 MET 13 15.200 -3.063 3.239 113 3HE MET 13 HE3 MET 13 15.591 -3.440 4.933 114 H GLN 14 H GLN 14 13.065 2.504 1.125 115 HA GLN 14 HA GLN 14 14.515 1.055 -0.845 116 1HB GLN 14 HB2 GLN 14 12.968 3.658 -0.960 117 2HB GLN 14 HB3 GLN 14 13.671 2.904 -2.395 118 1HG GLN 14 HG2 GLN 14 12.335 0.953 -2.218 119 2HG GLN 14 HG3 GLN 14 11.837 1.319 -0.562 120 1HE2 GLN 14 HE22 GLN 14 10.621 3.348 -0.231 121 2HE2 GLN 14 HE21 GLN 14 9.440 3.826 -1.460 122 H GLU 15 H GLU 15 15.074 4.347 0.435 123 HA GLU 15 HA GLU 15 17.261 5.099 -1.138 124 1HB GLU 15 HB2 GLU 15 15.983 6.537 0.442 125 2HB GLU 15 HB3 GLU 15 16.774 5.727 1.799 126 1HG GLU 15 HG2 GLU 15 18.987 6.521 0.968 127 2HG GLU 15 HG3 GLU 15 18.144 7.355 -0.359 128 H LYS 16 H LYS 16 17.273 3.400 2.046 129 HA LYS 16 HA LYS 16 20.078 2.976 2.214 130 1HB LYS 16 HB2 LYS 16 17.723 1.401 3.325 131 2HB LYS 16 HB3 LYS 16 19.416 1.053 3.714 132 1HG LYS 16 HG2 LYS 16 19.733 3.175 4.776 133 2HG LYS 16 HG3 LYS 16 18.224 3.821 4.127 134 1HD LYS 16 HD2 LYS 16 17.969 3.273 6.491 135 2HD LYS 16 HD3 LYS 16 16.892 2.293 5.486 136 1HE LYS 16 HE2 LYS 16 18.410 0.357 5.688 137 2HE LYS 16 HE3 LYS 16 19.581 1.343 6.590 138 1HZ LYS 16 HZ1 LYS 16 17.930 1.598 8.298 139 2HZ LYS 16 HZ2 LYS 16 16.849 0.689 7.448 140 3HZ LYS 16 HZ3 LYS 16 18.234 0.003 8.019 141 H GLU 17 H GLU 17 17.504 0.778 0.967 142 HA GLU 17 HA GLU 17 19.179 -1.348 0.205 143 1HB GLU 17 HB2 GLU 17 16.553 -0.350 -0.955 144 2HB GLU 17 HB3 GLU 17 17.321 -1.865 -1.453 145 1HG GLU 17 HG2 GLU 17 17.217 -2.772 0.790 146 2HG GLU 17 HG3 GLU 17 16.605 -1.257 1.454 147 H ARG 18 H ARG 18 18.073 1.409 -1.879 148 HA ARG 18 HA ARG 18 19.647 0.477 -4.075 149 1HB ARG 18 HB2 ARG 18 19.027 2.369 -5.273 150 2HB ARG 18 HB3 ARG 18 17.652 1.883 -4.293 151 1HG ARG 18 HG2 ARG 18 17.578 4.164 -4.112 152 2HG ARG 18 HG3 ARG 18 18.429 3.735 -2.634 153 1HD ARG 18 HD2 ARG 18 20.603 4.398 -3.725 154 2HD ARG 18 HD3 ARG 18 19.754 4.604 -5.249 155 HE ARG 18 HE ARG 18 18.980 6.638 -4.605 156 1HH1 ARG 18 HH11 ARG 18 20.021 5.030 -1.604 157 2HH1 ARG 18 HH12 ARG 18 20.528 6.513 -0.854 158 1HH2 ARG 18 HH21 ARG 18 19.363 8.572 -3.485 159 2HH2 ARG 18 HH22 ARG 18 19.952 8.553 -1.845 160 H ASN 19 H ASN 19 20.460 2.602 -1.325 161 HA ASN 19 HA ASN 19 22.976 3.475 -2.408 162 1HB ASN 19 HB2 ASN 19 21.736 4.351 -0.324 163 2HB ASN 19 HB3 ASN 19 22.445 2.995 0.546 164 1HD2 ASN 19 HD22 ASN 19 25.123 3.127 -0.944 165 2HD2 ASN 19 HD21 ASN 19 25.827 4.608 -0.330 166 H LYS 20 H LYS 20 21.977 0.625 -0.474 167 HA LYS 20 HA LYS 20 24.632 -0.456 -0.171 168 1HB LYS 20 HB2 LYS 20 21.858 -1.680 0.059 169 2HB LYS 20 HB3 LYS 20 23.359 -2.552 0.413 170 1HG LYS 20 HG2 LYS 20 23.933 -1.049 2.209 171 2HG LYS 20 HG3 LYS 20 22.669 0.088 1.763 172 1HD LYS 20 HD2 LYS 20 22.001 -1.202 3.735 173 2HD LYS 20 HD3 LYS 20 20.908 -1.463 2.373 174 1HE LYS 20 HE2 LYS 20 21.403 -3.562 3.592 175 2HE LYS 20 HE3 LYS 20 21.920 -3.651 1.906 176 1HZ LYS 20 HZ1 LYS 20 24.149 -3.191 2.629 177 2HZ LYS 20 HZ2 LYS 20 23.667 -3.079 4.201 178 3HZ LYS 20 HZ3 LYS 20 23.560 -4.518 3.406 179 H GLY 21 H GLY 21 22.063 -0.896 -2.601 180 1HA GLY 21 HA2 GLY 21 23.232 -3.133 -3.931 181 2HA GLY 21 HA3 GLY 21 21.964 -2.068 -4.544 182 H GLN 22 H GLN 22 25.466 -1.773 -3.830 183 HA GLN 22 HA GLN 22 26.017 -0.824 -6.621 184 1HB GLN 22 HB2 GLN 22 26.883 0.229 -3.940 185 2HB GLN 22 HB3 GLN 22 28.154 0.048 -5.148 186 1HG GLN 22 HG2 GLN 22 27.155 2.314 -5.161 187 2HG GLN 22 HG3 GLN 22 27.073 1.476 -6.715 188 1HE2 GLN 22 HE22 GLN 22 24.955 1.556 -3.713 189 2HE2 GLN 22 HE21 GLN 22 23.499 1.810 -4.649 Start of MODEL 6 1 1H PHE 1 H1 PHE 1 -2.316 9.015 0.596 2 2H PHE 1 H2 PHE 1 -0.905 9.534 -0.093 3 3H PHE 1 H3 PHE 1 -1.065 9.481 1.553 4 HA PHE 1 HA PHE 1 -1.126 7.156 -0.201 5 1HB PHE 1 HB2 PHE 1 1.072 6.587 0.809 6 2HB PHE 1 HB3 PHE 1 1.103 8.025 -0.199 7 HD1 PHE 1 HD1 PHE 1 1.860 10.128 0.671 8 HD2 PHE 1 HD2 PHE 1 1.071 6.852 3.354 9 HE1 PHE 1 HE1 PHE 1 2.867 11.409 2.538 10 HE2 PHE 1 HE2 PHE 1 2.001 8.171 5.237 11 HZ PHE 1 HZ PHE 1 2.926 10.438 4.828 12 H VAL 2 H VAL 2 -1.256 5.125 0.909 13 HA VAL 2 HA VAL 2 -2.706 5.180 3.428 14 HB VAL 2 HB VAL 2 -3.326 3.538 1.852 15 1HG1 VAL 2 HG11 VAL 2 -1.222 3.162 0.596 16 2HG1 VAL 2 HG12 VAL 2 -0.551 2.298 1.993 17 3HG1 VAL 2 HG13 VAL 2 -1.962 1.659 1.146 18 1HG2 VAL 2 HG21 VAL 2 -3.240 1.529 3.242 19 2HG2 VAL 2 HG22 VAL 2 -1.909 2.208 4.195 20 3HG2 VAL 2 HG23 VAL 2 -3.515 2.967 4.236 21 HA PRO 3 HA PRO 3 1.294 5.634 5.352 22 1HB PRO 3 HB2 PRO 3 0.603 6.108 7.937 23 2HB PRO 3 HB3 PRO 3 0.098 7.191 6.615 24 1HG PRO 3 HG2 PRO 3 -1.512 4.914 7.811 25 2HG PRO 3 HG3 PRO 3 -2.004 6.629 7.658 26 1HD PRO 3 HD2 PRO 3 -2.698 4.792 5.777 27 2HD PRO 3 HD3 PRO 3 -2.218 6.451 5.308 28 H ILE 4 H ILE 4 0.936 2.976 4.682 29 HA ILE 4 HA ILE 4 0.725 1.100 6.707 30 HB ILE 4 HB ILE 4 2.577 -0.177 5.166 31 1HG1 ILE 4 HG12 ILE 4 2.222 0.343 2.825 32 2HG1 ILE 4 HG13 ILE 4 1.295 1.783 3.220 33 1HG2 ILE 4 HG21 ILE 4 -0.339 0.304 4.471 34 2HG2 ILE 4 HG22 ILE 4 0.660 -1.049 3.901 35 3HG2 ILE 4 HG23 ILE 4 0.291 -0.894 5.623 36 1HD1 ILE 4 HD11 ILE 4 3.258 2.959 3.910 37 2HD1 ILE 4 HD12 ILE 4 4.224 1.446 3.945 38 3HD1 ILE 4 HD13 ILE 4 3.655 2.126 2.414 39 H PHE 5 H PHE 5 3.741 2.555 5.669 40 HA PHE 5 HA PHE 5 4.786 2.326 8.438 41 1HB PHE 5 HB2 PHE 5 6.587 2.101 6.015 42 2HB PHE 5 HB3 PHE 5 6.952 1.766 7.709 43 HD1 PHE 5 HD1 PHE 5 6.309 0.202 4.612 44 HD2 PHE 5 HD2 PHE 5 5.346 -0.124 8.807 45 HE1 PHE 5 HE1 PHE 5 5.704 -2.168 4.290 46 HE2 PHE 5 HE2 PHE 5 4.748 -2.503 8.474 47 HZ PHE 5 HZ PHE 5 4.922 -3.531 6.214 48 H THR 6 H THR 6 3.159 4.231 7.432 49 HA THR 6 HA THR 6 2.883 6.441 7.149 50 HB THR 6 HB THR 6 5.619 6.957 8.330 51 HG1 THR 6 HG1 THR 6 5.055 5.355 9.648 52 1HG2 THR 6 HG21 THR 6 4.326 8.576 9.673 53 2HG2 THR 6 HG22 THR 6 4.033 8.864 7.949 54 3HG2 THR 6 HG23 THR 6 2.816 8.018 8.925 55 H TYR 7 H TYR 7 4.448 5.001 5.026 56 HA TYR 7 HA TYR 7 5.419 5.254 3.047 57 1HB TYR 7 HB2 TYR 7 3.922 6.948 2.393 58 2HB TYR 7 HB3 TYR 7 4.706 8.172 3.391 59 HD1 TYR 7 HD1 TYR 7 5.607 5.790 0.601 60 HD2 TYR 7 HD2 TYR 7 6.119 9.702 2.351 61 HE1 TYR 7 HE1 TYR 7 7.203 6.394 -1.197 62 HE2 TYR 7 HE2 TYR 7 7.689 10.305 0.547 63 HH TYR 7 HH TYR 7 8.700 9.626 -1.408 64 H GLY 8 H GLY 8 6.531 7.912 5.077 65 1HA GLY 8 HA2 GLY 8 9.067 8.358 4.103 66 2HA GLY 8 HA3 GLY 8 8.633 8.549 5.811 67 H GLU 9 H GLU 9 8.190 5.880 6.587 68 HA GLU 9 HA GLU 9 10.895 5.060 7.091 69 1HB GLU 9 HB2 GLU 9 8.367 3.428 7.375 70 2HB GLU 9 HB3 GLU 9 9.892 3.137 8.196 71 1HG GLU 9 HG2 GLU 9 9.629 5.088 9.585 72 2HG GLU 9 HG3 GLU 9 8.269 5.696 8.634 73 H LEU 10 H LEU 10 8.347 3.982 4.838 74 HA LEU 10 HA LEU 10 9.724 1.655 3.886 75 1HB LEU 10 HB2 LEU 10 7.280 2.062 3.707 76 2HB LEU 10 HB3 LEU 10 7.552 3.328 2.526 77 HG LEU 10 HG LEU 10 6.796 1.104 1.670 78 1HD1 LEU 10 HD11 LEU 10 9.415 1.985 0.405 79 2HD1 LEU 10 HD12 LEU 10 8.054 1.157 -0.352 80 3HD1 LEU 10 HD13 LEU 10 7.861 2.825 0.211 81 1HD2 LEU 10 HD21 LEU 10 9.658 0.172 2.128 82 2HD2 LEU 10 HD22 LEU 10 8.261 -0.329 3.110 83 3HD2 LEU 10 HD23 LEU 10 8.330 -0.728 1.384 84 H GLN 11 H GLN 11 9.385 5.027 2.657 85 HA GLN 11 HA GLN 11 11.081 4.633 0.426 86 1HB GLN 11 HB2 GLN 11 9.539 6.560 0.707 87 2HB GLN 11 HB3 GLN 11 10.602 7.222 1.959 88 1HG GLN 11 HG2 GLN 11 11.018 8.318 -0.203 89 2HG GLN 11 HG3 GLN 11 12.444 7.414 0.297 90 1HE2 GLN 11 HE22 GLN 11 9.593 7.352 -1.890 91 2HE2 GLN 11 HE21 GLN 11 10.309 6.220 -3.031 92 H ARG 12 H ARG 12 11.849 5.608 3.799 93 HA ARG 12 HA ARG 12 14.617 6.076 3.393 94 1HB ARG 12 HB2 ARG 12 13.406 6.714 5.414 95 2HB ARG 12 HB3 ARG 12 13.170 5.014 5.855 96 1HG ARG 12 HG2 ARG 12 15.566 4.683 6.118 97 2HG ARG 12 HG3 ARG 12 15.901 6.303 5.482 98 1HD ARG 12 HD2 ARG 12 14.644 7.290 7.441 99 2HD ARG 12 HD3 ARG 12 14.321 5.659 8.021 100 HE ARG 12 HE ARG 12 16.382 5.563 8.953 101 1HH1 ARG 12 HH21 ARG 12 16.432 8.125 6.526 102 2HH1 ARG 12 HH22 ARG 12 17.992 8.742 6.991 103 1HH2 ARG 12 HH11 ARG 12 18.418 6.376 9.601 104 2HH2 ARG 12 HH12 ARG 12 19.150 7.707 8.752 105 H MET 13 H MET 13 12.896 3.040 4.327 106 HA MET 13 HA MET 13 15.168 1.361 4.372 107 1HB MET 13 HB2 MET 13 12.957 0.726 5.244 108 2HB MET 13 HB3 MET 13 12.284 0.705 3.607 109 1HG MET 13 HG2 MET 13 13.796 -1.123 2.980 110 2HG MET 13 HG3 MET 13 14.550 -1.076 4.583 111 1HE MET 13 HE1 MET 13 13.404 -3.686 3.103 112 2HE MET 13 HE2 MET 13 14.216 -3.697 4.690 113 3HE MET 13 HE3 MET 13 12.640 -4.497 4.488 114 H GLN 14 H GLN 14 12.923 2.067 1.668 115 HA GLN 14 HA GLN 14 14.158 0.604 -0.363 116 1HB GLN 14 HB2 GLN 14 11.962 1.813 -0.413 117 2HB GLN 14 HB3 GLN 14 12.823 3.336 -0.624 118 1HG GLN 14 HG2 GLN 14 12.897 0.945 -2.517 119 2HG GLN 14 HG3 GLN 14 11.900 2.388 -2.729 120 1HE2 GLN 14 HE22 GLN 14 13.500 4.557 -2.329 121 2HE2 GLN 14 HE21 GLN 14 14.910 4.473 -3.371 122 H GLU 15 H GLU 15 14.831 3.977 0.672 123 HA GLU 15 HA GLU 15 16.825 4.554 -1.196 124 1HB GLU 15 HB2 GLU 15 15.716 6.220 0.260 125 2HB GLU 15 HB3 GLU 15 16.582 5.580 1.664 126 1HG GLU 15 HG2 GLU 15 17.683 7.589 0.867 127 2HG GLU 15 HG3 GLU 15 18.754 6.211 0.604 128 H LYS 16 H LYS 16 17.144 3.208 2.135 129 HA LYS 16 HA LYS 16 19.975 2.880 2.086 130 1HB LYS 16 HB2 LYS 16 17.808 1.357 3.575 131 2HB LYS 16 HB3 LYS 16 19.543 1.124 3.835 132 1HG LYS 16 HG2 LYS 16 19.831 3.464 4.475 133 2HG LYS 16 HG3 LYS 16 18.131 3.814 4.126 134 1HD LYS 16 HD2 LYS 16 17.394 2.273 5.876 135 2HD LYS 16 HD3 LYS 16 19.072 1.794 6.210 136 1HE LYS 16 HE2 LYS 16 19.625 4.094 6.910 137 2HE LYS 16 HE3 LYS 16 17.991 4.638 6.498 138 1HZ LYS 16 HZ1 LYS 16 18.228 4.224 8.821 139 2HZ LYS 16 HZ2 LYS 16 17.140 3.172 8.172 140 3HZ LYS 16 HZ3 LYS 16 18.657 2.655 8.558 141 H GLU 17 H GLU 17 17.352 0.623 1.096 142 HA GLU 17 HA GLU 17 19.014 -1.554 0.409 143 1HB GLU 17 HB2 GLU 17 16.307 -0.693 -0.673 144 2HB GLU 17 HB3 GLU 17 17.120 -2.185 -1.157 145 1HG GLU 17 HG2 GLU 17 17.173 -2.999 1.137 146 2HG GLU 17 HG3 GLU 17 16.475 -1.498 1.745 147 H ARG 18 H ARG 18 17.769 1.038 -1.848 148 HA ARG 18 HA ARG 18 19.374 -0.016 -3.988 149 1HB ARG 18 HB2 ARG 18 18.877 1.947 -5.241 150 2HB ARG 18 HB3 ARG 18 17.421 1.338 -4.442 151 1HG ARG 18 HG2 ARG 18 17.576 3.112 -2.758 152 2HG ARG 18 HG3 ARG 18 19.073 3.733 -3.482 153 1HD ARG 18 HD2 ARG 18 17.895 4.219 -5.579 154 2HD ARG 18 HD3 ARG 18 16.407 3.519 -4.914 155 HE ARG 18 HE ARG 18 17.553 5.680 -3.305 156 1HH1 ARG 18 HH21 ARG 18 15.519 4.995 -6.113 157 2HH1 ARG 18 HH22 ARG 18 14.627 6.488 -6.017 158 1HH2 ARG 18 HH11 ARG 18 16.373 7.642 -3.149 159 2HH2 ARG 18 HH12 ARG 18 15.136 8.026 -4.316 160 H ASN 19 H ASN 19 20.040 2.480 -1.542 161 HA ASN 19 HA ASN 19 22.456 3.495 -2.577 162 1HB ASN 19 HB2 ASN 19 21.395 4.594 -0.724 163 2HB ASN 19 HB3 ASN 19 21.429 3.120 0.252 164 1HD2 ASN 19 HD22 ASN 19 23.855 5.160 -1.522 165 2HD2 ASN 19 HD21 ASN 19 25.009 5.117 -0.202 166 H LYS 20 H LYS 20 21.898 0.658 -0.451 167 HA LYS 20 HA LYS 20 24.798 0.083 -0.406 168 1HB LYS 20 HB2 LYS 20 22.431 -1.175 1.027 169 2HB LYS 20 HB3 LYS 20 24.139 -1.590 1.288 170 1HG LYS 20 HG2 LYS 20 24.641 0.719 1.969 171 2HG LYS 20 HG3 LYS 20 22.981 1.212 1.603 172 1HD LYS 20 HD2 LYS 20 22.087 -0.215 3.363 173 2HD LYS 20 HD3 LYS 20 23.709 -0.831 3.731 174 1HE LYS 20 HE2 LYS 20 23.017 0.952 5.321 175 2HE LYS 20 HE3 LYS 20 24.463 1.408 4.408 176 1HZ LYS 20 HZ1 LYS 20 23.111 2.754 2.995 177 2HZ LYS 20 HZ2 LYS 20 21.733 2.275 3.764 178 3HZ LYS 20 HZ3 LYS 20 22.856 3.178 4.563 179 H GLY 21 H GLY 21 21.782 -1.691 -1.277 180 1HA GLY 21 HA2 GLY 21 23.263 -3.879 -2.565 181 2HA GLY 21 HA3 GLY 21 21.511 -3.673 -2.422 182 H GLN 22 H GLN 22 24.263 -1.891 -3.856 183 HA GLN 22 HA GLN 22 22.725 -0.700 -5.965 184 1HB GLN 22 HB2 GLN 22 25.730 -1.171 -5.743 185 2HB GLN 22 HB3 GLN 22 24.931 -0.109 -6.920 186 1HG GLN 22 HG2 GLN 22 23.994 1.255 -5.072 187 2HG GLN 22 HG3 GLN 22 24.782 0.196 -3.890 188 1HE2 GLN 22 HE22 GLN 22 25.713 2.239 -3.120 189 2HE2 GLN 22 HE21 GLN 22 27.184 2.830 -3.902 Start of MODEL 7 1 1H PHE 1 H1 PHE 1 1.365 9.467 -0.981 2 2H PHE 1 H2 PHE 1 -0.186 9.051 -0.590 3 3H PHE 1 H3 PHE 1 0.860 7.902 -1.132 4 HA PHE 1 HA PHE 1 2.209 8.122 0.785 5 1HB PHE 1 HB2 PHE 1 1.635 10.547 1.084 6 2HB PHE 1 HB3 PHE 1 0.088 10.069 1.766 7 HD1 PHE 1 HD1 PHE 1 3.454 10.925 2.510 8 HD2 PHE 1 HD2 PHE 1 0.176 8.480 3.896 9 HE1 PHE 1 HE1 PHE 1 4.454 10.848 4.773 10 HE2 PHE 1 HE2 PHE 1 1.240 8.325 6.121 11 HZ PHE 1 HZ PHE 1 3.366 9.525 6.574 12 H VAL 2 H VAL 2 1.843 6.130 1.672 13 HA VAL 2 HA VAL 2 -0.947 5.374 2.423 14 HB VAL 2 HB VAL 2 1.350 3.550 1.663 15 1HG1 VAL 2 HG11 VAL 2 -0.394 1.811 1.677 16 2HG1 VAL 2 HG12 VAL 2 -0.311 2.571 3.271 17 3HG1 VAL 2 HG13 VAL 2 -1.618 3.004 2.153 18 1HG2 VAL 2 HG21 VAL 2 0.578 4.752 -0.334 19 2HG2 VAL 2 HG22 VAL 2 -0.026 3.092 -0.368 20 3HG2 VAL 2 HG23 VAL 2 -1.116 4.418 0.088 21 HA PRO 3 HA PRO 3 1.237 5.624 6.409 22 1HB PRO 3 HB2 PRO 3 -0.859 5.598 8.122 23 2HB PRO 3 HB3 PRO 3 -0.576 6.969 7.021 24 1HG PRO 3 HG2 PRO 3 -2.446 4.627 6.569 25 2HG PRO 3 HG3 PRO 3 -2.836 6.368 6.461 26 1HD PRO 3 HD2 PRO 3 -2.176 4.877 4.269 27 2HD PRO 3 HD3 PRO 3 -1.672 6.589 4.409 28 H ILE 4 H ILE 4 1.747 3.294 5.250 29 HA ILE 4 HA ILE 4 0.527 1.049 6.615 30 HB ILE 4 HB ILE 4 2.911 0.018 5.655 31 1HG1 ILE 4 HG12 ILE 4 3.122 0.760 3.331 32 2HG1 ILE 4 HG13 ILE 4 2.045 2.115 3.609 33 1HG2 ILE 4 HG21 ILE 4 0.269 0.344 4.202 34 2HG2 ILE 4 HG22 ILE 4 1.523 -0.861 3.838 35 3HG2 ILE 4 HG23 ILE 4 0.679 -0.912 5.391 36 1HD1 ILE 4 HD11 ILE 4 4.760 1.664 4.940 37 2HD1 ILE 4 HD12 ILE 4 4.441 2.729 3.562 38 3HD1 ILE 4 HD13 ILE 4 3.757 3.126 5.133 39 H PHE 5 H PHE 5 3.916 2.019 6.731 40 HA PHE 5 HA PHE 5 3.898 1.726 9.715 41 1HB PHE 5 HB2 PHE 5 6.369 1.766 7.993 42 2HB PHE 5 HB3 PHE 5 6.166 1.122 9.616 43 HD1 PHE 5 HD1 PHE 5 3.921 -0.748 9.415 44 HD2 PHE 5 HD2 PHE 5 7.069 0.044 6.565 45 HE1 PHE 5 HE1 PHE 5 3.555 -2.967 8.383 46 HE2 PHE 5 HE2 PHE 5 6.688 -2.177 5.538 47 HZ PHE 5 HZ PHE 5 4.929 -3.684 6.438 48 H THR 6 H THR 6 3.138 3.946 7.720 49 HA THR 6 HA THR 6 3.232 6.224 7.702 50 HB THR 6 HB THR 6 5.898 6.332 9.155 51 HG1 THR 6 HG1 THR 6 4.598 5.286 10.531 52 1HG2 THR 6 HG21 THR 6 5.125 8.371 7.986 53 2HG2 THR 6 HG22 THR 6 3.582 8.287 8.873 54 3HG2 THR 6 HG23 THR 6 5.099 8.561 9.751 55 H TYR 7 H TYR 7 3.448 6.265 5.527 56 HA TYR 7 HA TYR 7 5.005 5.045 3.842 57 1HB TYR 7 HB2 TYR 7 3.157 6.716 3.346 58 2HB TYR 7 HB3 TYR 7 4.355 7.985 3.505 59 HD1 TYR 7 HD1 TYR 7 5.095 8.856 1.466 60 HD2 TYR 7 HD2 TYR 7 4.068 4.672 1.714 61 HE1 TYR 7 HE1 TYR 7 5.692 8.558 -0.924 62 HE2 TYR 7 HE2 TYR 7 4.791 4.361 -0.633 63 HH TYR 7 HH TYR 7 6.342 5.435 -2.178 64 H GLY 8 H GLY 8 6.022 8.158 5.163 65 1HA GLY 8 HA2 GLY 8 8.388 8.735 3.928 66 2HA GLY 8 HA3 GLY 8 8.115 8.985 5.659 67 H GLU 9 H GLU 9 8.097 6.379 6.719 68 HA GLU 9 HA GLU 9 10.982 5.976 6.626 69 1HB GLU 9 HB2 GLU 9 10.685 4.191 8.226 70 2HB GLU 9 HB3 GLU 9 10.027 5.735 8.770 71 1HG GLU 9 HG2 GLU 9 7.790 5.000 8.528 72 2HG GLU 9 HG3 GLU 9 8.247 3.580 7.564 73 H LEU 10 H LEU 10 8.173 4.377 5.143 74 HA LEU 10 HA LEU 10 9.660 2.037 4.342 75 1HB LEU 10 HB2 LEU 10 7.187 2.090 4.437 76 2HB LEU 10 HB3 LEU 10 7.162 3.261 3.110 77 HG LEU 10 HG LEU 10 8.234 1.579 1.613 78 1HD1 LEU 10 HD11 LEU 10 7.946 -0.275 4.018 79 2HD1 LEU 10 HD12 LEU 10 8.248 -0.818 2.355 80 3HD1 LEU 10 HD13 LEU 10 9.456 0.162 3.183 81 1HD2 LEU 10 HD21 LEU 10 5.777 1.815 1.714 82 2HD2 LEU 10 HD22 LEU 10 6.281 0.163 1.328 83 3HD2 LEU 10 HD23 LEU 10 5.720 0.548 2.965 84 H GLN 11 H GLN 11 9.006 5.244 2.896 85 HA GLN 11 HA GLN 11 10.486 4.756 0.461 86 1HB GLN 11 HB2 GLN 11 9.848 7.338 1.930 87 2HB GLN 11 HB3 GLN 11 10.649 7.248 0.359 88 1HG GLN 11 HG2 GLN 11 7.856 6.194 1.008 89 2HG GLN 11 HG3 GLN 11 8.241 7.646 0.078 90 1HE2 GLN 11 HE22 GLN 11 10.106 6.962 -1.749 91 2HE2 GLN 11 HE21 GLN 11 9.557 5.621 -2.736 92 H ARG 12 H ARG 12 11.547 6.151 3.624 93 HA ARG 12 HA ARG 12 14.244 6.402 2.769 94 1HB ARG 12 HB2 ARG 12 13.064 6.069 5.537 95 2HB ARG 12 HB3 ARG 12 14.791 6.338 5.227 96 1HG ARG 12 HG2 ARG 12 14.278 8.362 3.916 97 2HG ARG 12 HG3 ARG 12 12.555 8.171 4.252 98 1HD ARG 12 HD2 ARG 12 14.739 8.530 6.361 99 2HD ARG 12 HD3 ARG 12 13.721 9.835 5.776 100 HE ARG 12 HE ARG 12 13.038 7.715 7.665 101 1HH1 ARG 12 HH11 ARG 12 11.653 9.991 5.358 102 2HH1 ARG 12 HH12 ARG 12 10.192 10.267 6.270 103 1HH2 ARG 12 HH21 ARG 12 11.102 7.972 8.827 104 2HH2 ARG 12 HH22 ARG 12 9.840 9.020 8.246 105 H MET 13 H MET 13 12.602 3.558 4.187 106 HA MET 13 HA MET 13 14.896 1.882 4.374 107 1HB MET 13 HB2 MET 13 11.954 1.298 3.868 108 2HB MET 13 HB3 MET 13 13.165 0.025 4.066 109 1HG MET 13 HG2 MET 13 13.602 0.589 6.306 110 2HG MET 13 HG3 MET 13 12.909 2.197 6.159 111 1HE MET 13 HE1 MET 13 11.219 -1.183 4.930 112 2HE MET 13 HE2 MET 13 12.115 -1.636 6.404 113 3HE MET 13 HE3 MET 13 10.334 -1.628 6.407 114 H GLN 14 H GLN 14 12.561 2.342 1.650 115 HA GLN 14 HA GLN 14 13.938 0.690 -0.216 116 1HB GLN 14 HB2 GLN 14 12.209 3.151 -0.592 117 2HB GLN 14 HB3 GLN 14 12.853 2.219 -1.945 118 1HG GLN 14 HG2 GLN 14 11.639 0.265 -1.376 119 2HG GLN 14 HG3 GLN 14 11.239 0.859 0.242 120 1HE2 GLN 14 HE22 GLN 14 9.861 2.728 0.428 121 2HE2 GLN 14 HE21 GLN 14 8.673 3.132 -0.822 122 H GLU 15 H GLU 15 14.390 4.217 0.505 123 HA GLU 15 HA GLU 15 16.367 4.677 -1.474 124 1HB GLU 15 HB2 GLU 15 15.905 5.964 1.236 125 2HB GLU 15 HB3 GLU 15 17.045 6.583 0.044 126 1HG GLU 15 HG2 GLU 15 15.364 7.174 -1.497 127 2HG GLU 15 HG3 GLU 15 14.153 6.126 -0.763 128 H LYS 16 H LYS 16 16.732 3.653 1.964 129 HA LYS 16 HA LYS 16 19.562 3.535 1.933 130 1HB LYS 16 HB2 LYS 16 18.269 3.551 3.994 131 2HB LYS 16 HB3 LYS 16 17.506 2.012 3.584 132 1HG LYS 16 HG2 LYS 16 19.255 1.749 5.276 133 2HG LYS 16 HG3 LYS 16 19.625 0.822 3.819 134 1HD LYS 16 HD2 LYS 16 21.247 2.539 3.094 135 2HD LYS 16 HD3 LYS 16 20.801 3.569 4.473 136 1HE LYS 16 HE2 LYS 16 21.634 1.820 6.030 137 2HE LYS 16 HE3 LYS 16 22.026 0.772 4.652 138 1HZ LYS 16 HZ1 LYS 16 23.211 3.404 5.187 139 2HZ LYS 16 HZ2 LYS 16 23.933 1.946 5.443 140 3HZ LYS 16 HZ3 LYS 16 23.573 2.427 3.910 141 H GLU 17 H GLU 17 17.090 1.019 1.264 142 HA GLU 17 HA GLU 17 18.832 -1.133 0.764 143 1HB GLU 17 HB2 GLU 17 16.342 -1.239 0.999 144 2HB GLU 17 HB3 GLU 17 16.179 -0.555 -0.628 145 1HG GLU 17 HG2 GLU 17 17.399 -2.507 -1.567 146 2HG GLU 17 HG3 GLU 17 17.602 -3.165 0.066 147 H ARG 18 H ARG 18 17.546 1.330 -1.513 148 HA ARG 18 HA ARG 18 18.913 0.443 -3.825 149 1HB ARG 18 HB2 ARG 18 17.049 2.252 -3.463 150 2HB ARG 18 HB3 ARG 18 18.386 3.382 -3.264 151 1HG ARG 18 HG2 ARG 18 17.780 1.600 -5.675 152 2HG ARG 18 HG3 ARG 18 17.479 3.335 -5.554 153 1HD ARG 18 HD2 ARG 18 20.184 1.952 -5.667 154 2HD ARG 18 HD3 ARG 18 19.445 2.952 -6.893 155 HE ARG 18 HE ARG 18 19.463 4.834 -5.181 156 1HH1 ARG 18 HH21 ARG 18 21.988 2.359 -4.907 157 2HH1 ARG 18 HH22 ARG 18 23.295 3.507 -4.923 158 1HH2 ARG 18 HH11 ARG 18 21.133 6.315 -4.859 159 2HH2 ARG 18 HH12 ARG 18 22.780 5.781 -4.675 160 H ASN 19 H ASN 19 19.862 2.877 -1.364 161 HA ASN 19 HA ASN 19 22.340 3.637 -2.388 162 1HB ASN 19 HB2 ASN 19 21.069 4.601 -0.414 163 2HB ASN 19 HB3 ASN 19 21.774 3.320 0.576 164 1HD2 ASN 19 HD22 ASN 19 24.490 3.538 -1.035 165 2HD2 ASN 19 HD21 ASN 19 25.136 5.022 -0.372 166 H LYS 20 H LYS 20 21.571 0.856 -0.236 167 HA LYS 20 HA LYS 20 24.286 -0.056 -0.056 168 1HB LYS 20 HB2 LYS 20 22.577 -0.700 1.566 169 2HB LYS 20 HB3 LYS 20 21.636 -1.513 0.313 170 1HG LYS 20 HG2 LYS 20 22.861 -3.104 1.700 171 2HG LYS 20 HG3 LYS 20 23.384 -3.205 0.017 172 1HD LYS 20 HD2 LYS 20 25.427 -1.932 0.522 173 2HD LYS 20 HD3 LYS 20 24.868 -1.643 2.187 174 1HE LYS 20 HE2 LYS 20 24.943 -4.091 2.622 175 2HE LYS 20 HE3 LYS 20 25.464 -4.374 0.949 176 1HZ LYS 20 HZ1 LYS 20 27.424 -3.095 1.408 177 2HZ LYS 20 HZ2 LYS 20 26.943 -2.831 2.962 178 3HZ LYS 20 HZ3 LYS 20 27.298 -4.359 2.457 179 H GLY 21 H GLY 21 21.526 -0.979 -2.155 180 1HA GLY 21 HA2 GLY 21 23.029 -2.878 -3.761 181 2HA GLY 21 HA3 GLY 21 21.401 -2.246 -4.052 182 H GLN 22 H GLN 22 24.742 -0.937 -3.930 183 HA GLN 22 HA GLN 22 24.335 1.090 -5.909 184 1HB GLN 22 HB2 GLN 22 26.917 -0.326 -5.109 185 2HB GLN 22 HB3 GLN 22 26.786 1.182 -6.029 186 1HG GLN 22 HG2 GLN 22 25.561 2.199 -4.052 187 2HG GLN 22 HG3 GLN 22 25.899 0.713 -3.148 188 1HE2 GLN 22 HE22 GLN 22 27.683 3.160 -5.146 189 2HE2 GLN 22 HE21 GLN 22 29.067 3.202 -4.067 Start of MODEL 8 1 1H PHE 1 H1 PHE 1 1.954 8.778 -0.836 2 2H PHE 1 H2 PHE 1 2.524 10.252 -0.351 3 3H PHE 1 H3 PHE 1 0.899 9.939 -0.353 4 HA PHE 1 HA PHE 1 2.852 8.569 1.319 5 1HB PHE 1 HB2 PHE 1 2.630 10.874 2.056 6 2HB PHE 1 HB3 PHE 1 0.872 10.778 1.971 7 HD1 PHE 1 HD1 PHE 1 3.871 9.549 3.819 8 HD2 PHE 1 HD2 PHE 1 -0.433 9.808 3.764 9 HE1 PHE 1 HE1 PHE 1 3.774 8.486 6.052 10 HE2 PHE 1 HE2 PHE 1 -0.521 8.798 6.023 11 HZ PHE 1 HZ PHE 1 1.571 8.099 7.159 12 H VAL 2 H VAL 2 2.013 6.924 2.622 13 HA VAL 2 HA VAL 2 -0.866 6.399 2.631 14 HB VAL 2 HB VAL 2 1.174 4.275 1.843 15 1HG1 VAL 2 HG11 VAL 2 -0.791 2.828 1.536 16 2HG1 VAL 2 HG12 VAL 2 -0.744 3.410 3.204 17 3HG1 VAL 2 HG13 VAL 2 -1.870 4.140 2.042 18 1HG2 VAL 2 HG21 VAL 2 -0.064 4.179 -0.314 19 2HG2 VAL 2 HG22 VAL 2 -0.973 5.628 0.159 20 3HG2 VAL 2 HG23 VAL 2 0.788 5.708 -0.095 21 HA PRO 3 HA PRO 3 0.785 5.549 6.793 22 1HB PRO 3 HB2 PRO 3 -1.512 5.231 8.185 23 2HB PRO 3 HB3 PRO 3 -1.089 6.805 7.469 24 1HG PRO 3 HG2 PRO 3 -2.906 4.685 6.285 25 2HG PRO 3 HG3 PRO 3 -3.267 6.420 6.514 26 1HD PRO 3 HD2 PRO 3 -2.344 5.397 4.143 27 2HD PRO 3 HD3 PRO 3 -1.886 7.034 4.700 28 H ILE 4 H ILE 4 1.420 3.600 5.204 29 HA ILE 4 HA ILE 4 0.197 1.054 6.029 30 HB ILE 4 HB ILE 4 2.518 0.232 4.983 31 1HG1 ILE 4 HG12 ILE 4 2.129 2.692 3.264 32 2HG1 ILE 4 HG13 ILE 4 3.193 2.818 4.659 33 1HG2 ILE 4 HG21 ILE 4 1.372 0.081 2.796 34 2HG2 ILE 4 HG22 ILE 4 0.322 -0.350 4.150 35 3HG2 ILE 4 HG23 ILE 4 0.150 1.232 3.370 36 1HD1 ILE 4 HD11 ILE 4 3.531 0.804 2.420 37 2HD1 ILE 4 HD12 ILE 4 4.484 2.274 2.706 38 3HD1 ILE 4 HD13 ILE 4 4.547 0.942 3.875 39 H PHE 5 H PHE 5 3.569 2.000 6.292 40 HA PHE 5 HA PHE 5 3.533 1.519 9.245 41 1HB PHE 5 HB2 PHE 5 6.024 1.348 7.551 42 2HB PHE 5 HB3 PHE 5 5.709 0.652 9.131 43 HD1 PHE 5 HD1 PHE 5 6.418 -0.269 5.913 44 HD2 PHE 5 HD2 PHE 5 3.384 -1.011 8.894 45 HE1 PHE 5 HE1 PHE 5 5.747 -2.332 4.723 46 HE2 PHE 5 HE2 PHE 5 2.729 -3.080 7.702 47 HZ PHE 5 HZ PHE 5 3.898 -3.737 5.606 48 H THR 6 H THR 6 2.737 3.803 7.620 49 HA THR 6 HA THR 6 3.028 6.045 7.379 50 HB THR 6 HB THR 6 5.492 5.902 9.173 51 HG1 THR 6 HG1 THR 6 3.697 5.056 10.236 52 1HG2 THR 6 HG21 THR 6 3.580 8.179 8.548 53 2HG2 THR 6 HG22 THR 6 4.949 8.218 9.671 54 3HG2 THR 6 HG23 THR 6 5.250 8.021 7.939 55 H TYR 7 H TYR 7 3.401 5.655 5.173 56 HA TYR 7 HA TYR 7 5.221 4.430 3.789 57 1HB TYR 7 HB2 TYR 7 3.538 5.501 2.599 58 2HB TYR 7 HB3 TYR 7 3.976 7.097 3.221 59 HD1 TYR 7 HD1 TYR 7 5.149 4.364 0.933 60 HD2 TYR 7 HD2 TYR 7 5.474 8.521 2.045 61 HE1 TYR 7 HE1 TYR 7 6.667 4.773 -0.990 62 HE2 TYR 7 HE2 TYR 7 6.981 8.917 0.136 63 HH TYR 7 HH TYR 7 8.270 7.917 -1.485 64 H GLY 8 H GLY 8 6.032 7.679 4.958 65 1HA GLY 8 HA2 GLY 8 8.482 8.163 3.762 66 2HA GLY 8 HA3 GLY 8 8.093 8.617 5.431 67 H GLU 9 H GLU 9 7.850 6.009 6.540 68 HA GLU 9 HA GLU 9 10.534 5.318 7.212 69 1HB GLU 9 HB2 GLU 9 8.540 4.897 8.645 70 2HB GLU 9 HB3 GLU 9 7.936 3.728 7.465 71 1HG GLU 9 HG2 GLU 9 9.984 2.342 7.812 72 2HG GLU 9 HG3 GLU 9 10.535 3.499 9.038 73 H LEU 10 H LEU 10 8.110 3.788 5.034 74 HA LEU 10 HA LEU 10 9.806 1.607 4.282 75 1HB LEU 10 HB2 LEU 10 7.354 1.516 4.053 76 2HB LEU 10 HB3 LEU 10 7.401 2.817 2.856 77 HG LEU 10 HG LEU 10 8.714 1.378 1.318 78 1HD1 LEU 10 HD11 LEU 10 9.886 -0.117 2.862 79 2HD1 LEU 10 HD12 LEU 10 8.341 -0.747 3.479 80 3HD1 LEU 10 HD13 LEU 10 8.848 -1.080 1.811 81 1HD2 LEU 10 HD21 LEU 10 6.908 -0.133 0.705 82 2HD2 LEU 10 HD22 LEU 10 6.171 0.043 2.309 83 3HD2 LEU 10 HD23 LEU 10 6.247 1.434 1.198 84 H GLN 11 H GLN 11 9.131 4.839 2.903 85 HA GLN 11 HA GLN 11 10.743 4.587 0.595 86 1HB GLN 11 HB2 GLN 11 9.148 6.516 1.259 87 2HB GLN 11 HB3 GLN 11 10.522 7.170 2.169 88 1HG GLN 11 HG2 GLN 11 11.880 6.938 -0.025 89 2HG GLN 11 HG3 GLN 11 10.348 6.580 -0.818 90 1HE2 GLN 11 HE22 GLN 11 12.257 9.046 0.872 91 2HE2 GLN 11 HE21 GLN 11 11.265 10.414 0.369 92 H ARG 12 H ARG 12 11.627 5.683 3.930 93 HA ARG 12 HA ARG 12 14.386 6.105 3.336 94 1HB ARG 12 HB2 ARG 12 12.876 5.577 5.898 95 2HB ARG 12 HB3 ARG 12 14.631 5.831 5.876 96 1HG ARG 12 HG2 ARG 12 14.480 8.011 5.039 97 2HG ARG 12 HG3 ARG 12 12.871 7.763 4.373 98 1HD ARG 12 HD2 ARG 12 11.927 7.655 6.707 99 2HD ARG 12 HD3 ARG 12 13.551 7.930 7.343 100 HE ARG 12 HE ARG 12 13.315 10.156 6.955 101 1HH1 ARG 12 HH11 ARG 12 11.005 8.470 4.851 102 2HH1 ARG 12 HH12 ARG 12 10.324 9.947 4.211 103 1HH2 ARG 12 HH21 ARG 12 12.385 12.065 6.161 104 2HH2 ARG 12 HH22 ARG 12 11.088 12.017 5.001 105 H MET 13 H MET 13 12.687 3.157 4.494 106 HA MET 13 HA MET 13 14.999 1.495 4.680 107 1HB MET 13 HB2 MET 13 12.110 0.869 3.951 108 2HB MET 13 HB3 MET 13 13.351 -0.370 4.162 109 1HG MET 13 HG2 MET 13 13.703 0.218 6.452 110 2HG MET 13 HG3 MET 13 12.693 1.664 6.326 111 1HE MET 13 HE1 MET 13 10.742 -0.692 8.789 112 2HE MET 13 HE2 MET 13 12.510 -0.713 8.585 113 3HE MET 13 HE3 MET 13 11.637 0.837 8.615 114 H GLN 14 H GLN 14 12.850 2.182 1.875 115 HA GLN 14 HA GLN 14 14.266 0.651 -0.024 116 1HB GLN 14 HB2 GLN 14 12.017 1.602 -0.369 117 2HB GLN 14 HB3 GLN 14 12.706 3.227 -0.457 118 1HG GLN 14 HG2 GLN 14 14.023 2.555 -2.466 119 2HG GLN 14 HG3 GLN 14 13.338 0.925 -2.350 120 1HE2 GLN 14 HE22 GLN 14 12.115 4.350 -2.298 121 2HE2 GLN 14 HE21 GLN 14 10.809 4.031 -3.429 122 H GLU 15 H GLU 15 14.720 4.114 0.911 123 HA GLU 15 HA GLU 15 16.836 4.715 -0.873 124 1HB GLU 15 HB2 GLU 15 16.250 5.726 1.935 125 2HB GLU 15 HB3 GLU 15 17.486 6.414 0.889 126 1HG GLU 15 HG2 GLU 15 15.922 7.238 -0.677 127 2HG GLU 15 HG3 GLU 15 14.616 6.218 -0.084 128 H LYS 16 H LYS 16 16.961 3.396 2.487 129 HA LYS 16 HA LYS 16 19.780 3.197 2.536 130 1HB LYS 16 HB2 LYS 16 18.328 3.176 4.539 131 2HB LYS 16 HB3 LYS 16 17.719 1.586 4.091 132 1HG LYS 16 HG2 LYS 16 19.462 1.528 5.868 133 2HG LYS 16 HG3 LYS 16 19.856 0.549 4.456 134 1HD LYS 16 HD2 LYS 16 21.817 1.746 5.326 135 2HD LYS 16 HD3 LYS 16 21.469 2.201 3.665 136 1HE LYS 16 HE2 LYS 16 20.351 4.308 4.521 137 2HE LYS 16 HE3 LYS 16 20.777 3.814 6.168 138 1HZ LYS 16 HZ1 LYS 16 22.653 4.393 3.969 139 2HZ LYS 16 HZ2 LYS 16 22.344 5.343 5.276 140 3HZ LYS 16 HZ3 LYS 16 23.085 3.887 5.480 141 H GLU 17 H GLU 17 17.290 0.830 1.489 142 HA GLU 17 HA GLU 17 19.083 -1.294 0.932 143 1HB GLU 17 HB2 GLU 17 16.619 -1.521 0.922 144 2HB GLU 17 HB3 GLU 17 16.516 -0.530 -0.538 145 1HG GLU 17 HG2 GLU 17 16.337 -2.906 -1.082 146 2HG GLU 17 HG3 GLU 17 17.790 -2.221 -1.811 147 H ARG 18 H ARG 18 17.915 1.343 -1.249 148 HA ARG 18 HA ARG 18 19.621 0.628 -3.425 149 1HB ARG 18 HB2 ARG 18 18.397 3.316 -2.695 150 2HB ARG 18 HB3 ARG 18 19.210 2.962 -4.221 151 1HG ARG 18 HG2 ARG 18 16.647 1.667 -3.198 152 2HG ARG 18 HG3 ARG 18 16.814 2.827 -4.512 153 1HD ARG 18 HD2 ARG 18 17.752 -0.070 -4.429 154 2HD ARG 18 HD3 ARG 18 16.522 0.612 -5.469 155 HE ARG 18 HE ARG 18 19.399 0.619 -5.866 156 1HH1 ARG 18 HH21 ARG 18 16.464 2.418 -6.637 157 2HH1 ARG 18 HH22 ARG 18 17.077 3.054 -8.140 158 1HH2 ARG 18 HH11 ARG 18 20.216 1.416 -7.837 159 2HH2 ARG 18 HH12 ARG 18 19.257 2.491 -8.815 160 H ASN 19 H ASN 19 20.303 2.600 -0.548 161 HA ASN 19 HA ASN 19 22.767 3.684 -1.314 162 1HB ASN 19 HB2 ASN 19 21.485 3.907 0.914 163 2HB ASN 19 HB3 ASN 19 22.310 2.419 1.404 164 1HD2 ASN 19 HD22 ASN 19 24.897 3.370 -0.130 165 2HD2 ASN 19 HD21 ASN 19 25.517 4.550 1.007 166 H LYS 20 H LYS 20 21.950 0.308 -0.474 167 HA LYS 20 HA LYS 20 24.787 -0.533 -0.663 168 1HB LYS 20 HB2 LYS 20 22.270 -2.175 -0.178 169 2HB LYS 20 HB3 LYS 20 23.923 -2.739 -0.024 170 1HG LYS 20 HG2 LYS 20 22.480 -0.667 1.679 171 2HG LYS 20 HG3 LYS 20 22.951 -2.287 2.165 172 1HD LYS 20 HD2 LYS 20 24.874 0.030 1.575 173 2HD LYS 20 HD3 LYS 20 24.360 -0.552 3.149 174 1HE LYS 20 HE2 LYS 20 26.442 -1.539 2.928 175 2HE LYS 20 HE3 LYS 20 25.343 -2.856 2.494 176 1HZ LYS 20 HZ1 LYS 20 25.818 -2.348 0.185 177 2HZ LYS 20 HZ2 LYS 20 26.800 -1.103 0.626 178 3HZ LYS 20 HZ3 LYS 20 27.207 -2.652 1.009 179 H GLY 21 H GLY 21 21.646 -1.223 -2.229 180 1HA GLY 21 HA2 GLY 21 22.515 -2.975 -4.209 181 2HA GLY 21 HA3 GLY 21 21.091 -1.931 -4.332 182 H GLN 22 H GLN 22 22.246 0.592 -4.399 183 HA GLN 22 HA GLN 22 22.963 2.126 -5.898 184 1HB GLN 22 HB2 GLN 22 25.323 0.208 -5.883 185 2HB GLN 22 HB3 GLN 22 25.389 1.872 -6.486 186 1HG GLN 22 HG2 GLN 22 24.907 2.803 -4.333 187 2HG GLN 22 HG3 GLN 22 24.475 1.235 -3.652 188 1HE2 GLN 22 HE22 GLN 22 26.160 -0.426 -3.420 189 2HE2 GLN 22 HE21 GLN 22 27.825 0.106 -3.184 Start of MODEL 9 1 1H PHE 1 H1 PHE 1 -1.429 8.610 0.754 2 2H PHE 1 H2 PHE 1 -2.321 7.602 -0.185 3 3H PHE 1 H3 PHE 1 -0.965 8.318 -0.807 4 HA PHE 1 HA PHE 1 -0.594 6.014 -0.275 5 1HB PHE 1 HB2 PHE 1 1.424 6.346 1.164 6 2HB PHE 1 HB3 PHE 1 1.333 7.407 -0.231 7 HD1 PHE 1 HD1 PHE 1 1.498 9.761 0.019 8 HD2 PHE 1 HD2 PHE 1 0.704 7.314 3.484 9 HE1 PHE 1 HE1 PHE 1 1.838 11.723 1.494 10 HE2 PHE 1 HE2 PHE 1 1.006 9.290 4.943 11 HZ PHE 1 HZ PHE 1 1.593 11.493 3.955 12 H VAL 2 H VAL 2 -0.286 4.405 1.397 13 HA VAL 2 HA VAL 2 -2.014 4.778 3.790 14 HB VAL 2 HB VAL 2 -1.756 2.291 4.002 15 1HG1 VAL 2 HG11 VAL 2 -3.562 1.866 2.380 16 2HG1 VAL 2 HG12 VAL 2 -3.812 3.397 3.235 17 3HG1 VAL 2 HG13 VAL 2 -3.207 3.404 1.564 18 1HG2 VAL 2 HG21 VAL 2 -0.921 2.419 1.061 19 2HG2 VAL 2 HG22 VAL 2 0.134 1.893 2.390 20 3HG2 VAL 2 HG23 VAL 2 -1.318 0.974 1.998 21 HA PRO 3 HA PRO 3 2.135 5.303 5.483 22 1HB PRO 3 HB2 PRO 3 1.551 6.433 7.890 23 2HB PRO 3 HB3 PRO 3 1.222 7.271 6.353 24 1HG PRO 3 HG2 PRO 3 -0.722 5.622 7.994 25 2HG PRO 3 HG3 PRO 3 -0.942 7.300 7.413 26 1HD PRO 3 HD2 PRO 3 -1.922 5.148 6.048 27 2HD PRO 3 HD3 PRO 3 -1.270 6.575 5.185 28 H ILE 4 H ILE 4 1.505 2.710 5.343 29 HA ILE 4 HA ILE 4 0.674 1.338 7.585 30 HB ILE 4 HB ILE 4 2.224 -0.586 6.514 31 1HG1 ILE 4 HG12 ILE 4 2.349 -0.415 4.123 32 2HG1 ILE 4 HG13 ILE 4 1.738 1.233 4.118 33 1HG2 ILE 4 HG21 ILE 4 -0.210 -0.599 6.696 34 2HG2 ILE 4 HG22 ILE 4 -0.343 0.528 5.328 35 3HG2 ILE 4 HG23 ILE 4 0.287 -1.114 5.079 36 1HD1 ILE 4 HD11 ILE 4 3.813 2.091 4.978 37 2HD1 ILE 4 HD12 ILE 4 4.369 0.442 5.414 38 3HD1 ILE 4 HD13 ILE 4 4.193 0.921 3.720 39 H PHE 5 H PHE 5 4.038 2.080 6.856 40 HA PHE 5 HA PHE 5 4.724 1.568 9.737 41 1HB PHE 5 HB2 PHE 5 6.730 1.542 7.485 42 2HB PHE 5 HB3 PHE 5 6.911 0.920 9.119 43 HD1 PHE 5 HD1 PHE 5 7.329 -0.309 6.156 44 HD2 PHE 5 HD2 PHE 5 4.449 -0.844 9.328 45 HE1 PHE 5 HE1 PHE 5 6.672 -2.493 5.197 46 HE2 PHE 5 HE2 PHE 5 3.797 -3.025 8.358 47 HZ PHE 5 HZ PHE 5 4.881 -3.838 6.268 48 H THR 6 H THR 6 3.622 3.929 8.166 49 HA THR 6 HA THR 6 3.889 6.165 8.139 50 HB THR 6 HB THR 6 6.813 6.084 8.913 51 HG1 THR 6 HG1 THR 6 5.965 5.010 10.541 52 1HG2 THR 6 HG21 THR 6 6.287 8.270 9.863 53 2HG2 THR 6 HG22 THR 6 5.845 8.233 8.146 54 3HG2 THR 6 HG23 THR 6 4.584 8.101 9.398 55 H TYR 7 H TYR 7 3.794 6.723 6.028 56 HA TYR 7 HA TYR 7 5.089 5.347 4.005 57 1HB TYR 7 HB2 TYR 7 3.065 6.637 3.676 58 2HB TYR 7 HB3 TYR 7 3.931 8.153 3.958 59 HD1 TYR 7 HD1 TYR 7 4.468 9.374 2.009 60 HD2 TYR 7 HD2 TYR 7 4.236 5.070 1.787 61 HE1 TYR 7 HE1 TYR 7 5.165 9.449 -0.369 62 HE2 TYR 7 HE2 TYR 7 5.015 5.151 -0.556 63 HH TYR 7 HH TYR 7 6.188 6.541 -2.043 64 H GLY 8 H GLY 8 6.145 8.311 5.601 65 1HA GLY 8 HA2 GLY 8 8.405 9.011 4.081 66 2HA GLY 8 HA3 GLY 8 8.256 9.201 5.838 67 H GLU 9 H GLU 9 8.042 6.408 6.571 68 HA GLU 9 HA GLU 9 10.884 5.737 6.529 69 1HB GLU 9 HB2 GLU 9 8.476 4.256 7.651 70 2HB GLU 9 HB3 GLU 9 10.153 3.733 7.790 71 1HG GLU 9 HG2 GLU 9 10.760 5.755 9.027 72 2HG GLU 9 HG3 GLU 9 9.126 6.405 8.851 73 H LEU 10 H LEU 10 7.841 4.563 5.057 74 HA LEU 10 HA LEU 10 8.923 2.323 3.739 75 1HB LEU 10 HB2 LEU 10 6.470 3.183 4.005 76 2HB LEU 10 HB3 LEU 10 6.755 4.066 2.509 77 HG LEU 10 HG LEU 10 5.540 1.996 2.202 78 1HD1 LEU 10 HD11 LEU 10 6.643 1.095 0.320 79 2HD1 LEU 10 HD12 LEU 10 7.051 2.819 0.385 80 3HD1 LEU 10 HD13 LEU 10 8.235 1.583 0.902 81 1HD2 LEU 10 HD21 LEU 10 6.612 0.716 4.092 82 2HD2 LEU 10 HD22 LEU 10 6.415 -0.201 2.587 83 3HD2 LEU 10 HD23 LEU 10 8.009 0.418 3.037 84 H GLN 11 H GLN 11 8.837 5.752 2.670 85 HA GLN 11 HA GLN 11 10.369 5.203 0.252 86 1HB GLN 11 HB2 GLN 11 9.903 7.790 1.785 87 2HB GLN 11 HB3 GLN 11 10.779 7.672 0.257 88 1HG GLN 11 HG2 GLN 11 7.848 7.007 0.740 89 2HG GLN 11 HG3 GLN 11 8.492 8.340 -0.223 90 1HE2 GLN 11 HE22 GLN 11 10.436 7.104 -1.829 91 2HE2 GLN 11 HE21 GLN 11 9.743 5.755 -2.718 92 H ARG 12 H ARG 12 11.354 6.252 3.553 93 HA ARG 12 HA ARG 12 14.043 6.486 2.885 94 1HB ARG 12 HB2 ARG 12 13.087 7.178 5.070 95 2HB ARG 12 HB3 ARG 12 12.958 5.472 5.531 96 1HG ARG 12 HG2 ARG 12 14.945 6.440 6.526 97 2HG ARG 12 HG3 ARG 12 15.413 5.212 5.335 98 1HD ARG 12 HD2 ARG 12 15.988 6.914 3.713 99 2HD ARG 12 HD3 ARG 12 15.387 8.213 4.771 100 HE ARG 12 HE ARG 12 17.303 6.881 6.261 101 1HH1 ARG 12 HH21 ARG 12 17.234 8.553 3.117 102 2HH1 ARG 12 HH22 ARG 12 18.930 8.938 3.149 103 1HH2 ARG 12 HH11 ARG 12 19.521 7.418 6.294 104 2HH2 ARG 12 HH12 ARG 12 20.245 8.296 4.975 105 H MET 13 H MET 13 12.234 3.496 3.663 106 HA MET 13 HA MET 13 14.416 1.688 3.727 107 1HB MET 13 HB2 MET 13 11.542 1.349 2.792 108 2HB MET 13 HB3 MET 13 12.688 0.009 2.916 109 1HG MET 13 HG2 MET 13 12.933 0.291 5.278 110 2HG MET 13 HG3 MET 13 12.060 1.821 5.272 111 1HE MET 13 HE1 MET 13 9.680 -0.433 7.348 112 2HE MET 13 HE2 MET 13 11.458 -0.425 7.354 113 3HE MET 13 HE3 MET 13 10.560 1.112 7.275 114 H GLN 14 H GLN 14 12.582 3.004 0.933 115 HA GLN 14 HA GLN 14 13.932 1.456 -1.073 116 1HB GLN 14 HB2 GLN 14 12.555 4.160 -1.249 117 2HB GLN 14 HB3 GLN 14 13.137 3.245 -2.633 118 1HG GLN 14 HG2 GLN 14 11.542 1.562 -2.405 119 2HG GLN 14 HG3 GLN 14 11.276 1.874 -0.690 120 1HE2 GLN 14 HE22 GLN 14 9.456 2.935 -0.154 121 2HE2 GLN 14 HE21 GLN 14 8.514 3.941 -1.261 122 H GLU 15 H GLU 15 14.532 4.711 0.329 123 HA GLU 15 HA GLU 15 16.798 5.370 -1.289 124 1HB GLU 15 HB2 GLU 15 16.184 6.105 1.594 125 2HB GLU 15 HB3 GLU 15 17.411 6.881 0.596 126 1HG GLU 15 HG2 GLU 15 15.768 7.823 -0.882 127 2HG GLU 15 HG3 GLU 15 14.470 6.827 -0.217 128 H LYS 16 H LYS 16 16.514 3.689 1.836 129 HA LYS 16 HA LYS 16 19.255 3.341 2.338 130 1HB LYS 16 HB2 LYS 16 17.345 3.162 3.938 131 2HB LYS 16 HB3 LYS 16 16.974 1.556 3.281 132 1HG LYS 16 HG2 LYS 16 19.309 0.834 3.897 133 2HG LYS 16 HG3 LYS 16 19.585 2.422 4.615 134 1HD LYS 16 HD2 LYS 16 17.541 0.317 5.470 135 2HD LYS 16 HD3 LYS 16 19.002 0.787 6.343 136 1HE LYS 16 HE2 LYS 16 16.483 2.464 5.920 137 2HE LYS 16 HE3 LYS 16 17.090 1.788 7.432 138 1HZ LYS 16 HZ1 LYS 16 19.006 3.211 7.234 139 2HZ LYS 16 HZ2 LYS 16 18.418 3.863 5.837 140 3HZ LYS 16 HZ3 LYS 16 17.610 4.089 7.254 141 H GLU 17 H GLU 17 16.887 0.997 0.818 142 HA GLU 17 HA GLU 17 18.971 -0.948 0.462 143 1HB GLU 17 HB2 GLU 17 17.478 -2.228 -0.871 144 2HB GLU 17 HB3 GLU 17 16.661 -1.597 0.553 145 1HG GLU 17 HG2 GLU 17 15.084 -1.400 -1.173 146 2HG GLU 17 HG3 GLU 17 15.700 0.228 -0.898 147 H ARG 18 H ARG 18 17.754 1.693 -1.664 148 HA ARG 18 HA ARG 18 19.390 0.994 -3.871 149 1HB ARG 18 HB2 ARG 18 17.572 2.688 -3.885 150 2HB ARG 18 HB3 ARG 18 18.616 3.832 -3.030 151 1HG ARG 18 HG2 ARG 18 19.516 2.481 -5.609 152 2HG ARG 18 HG3 ARG 18 18.417 3.852 -5.671 153 1HD ARG 18 HD2 ARG 18 19.965 5.370 -4.798 154 2HD ARG 18 HD3 ARG 18 21.059 4.151 -4.182 155 HE ARG 18 HE ARG 18 20.915 5.185 -6.881 156 1HH1 ARG 18 HH21 ARG 18 21.940 2.386 -4.927 157 2HH1 ARG 18 HH22 ARG 18 23.052 1.778 -6.093 158 1HH2 ARG 18 HH11 ARG 18 22.445 4.439 -8.412 159 2HH2 ARG 18 HH12 ARG 18 23.386 3.005 -8.089 160 H ASN 19 H ASN 19 20.084 3.104 -1.034 161 HA ASN 19 HA ASN 19 22.730 3.779 -1.746 162 1HB ASN 19 HB2 ASN 19 21.279 4.739 0.117 163 2HB ASN 19 HB3 ASN 19 21.749 3.353 1.105 164 1HD2 ASN 19 HD22 ASN 19 24.665 3.460 -0.140 165 2HD2 ASN 19 HD21 ASN 19 25.320 4.854 0.693 166 H LYS 20 H LYS 20 21.460 0.936 0.051 167 HA LYS 20 HA LYS 20 23.969 -0.240 0.662 168 1HB LYS 20 HB2 LYS 20 21.725 -0.893 1.594 169 2HB LYS 20 HB3 LYS 20 21.364 -1.699 0.057 170 1HG LYS 20 HG2 LYS 20 23.360 -3.153 0.367 171 2HG LYS 20 HG3 LYS 20 23.699 -2.342 1.910 172 1HD LYS 20 HD2 LYS 20 21.440 -3.046 2.743 173 2HD LYS 20 HD3 LYS 20 21.172 -3.929 1.232 174 1HE LYS 20 HE2 LYS 20 23.409 -4.465 3.253 175 2HE LYS 20 HE3 LYS 20 21.928 -5.417 3.070 176 1HZ LYS 20 HZ1 LYS 20 22.614 -5.945 0.839 177 2HZ LYS 20 HZ2 LYS 20 24.011 -5.090 1.028 178 3HZ LYS 20 HZ3 LYS 20 23.738 -6.433 1.940 179 H GLY 21 H GLY 21 21.837 -0.555 -2.215 180 1HA GLY 21 HA2 GLY 21 23.684 -2.224 -3.729 181 2HA GLY 21 HA3 GLY 21 22.249 -1.375 -4.321 182 H GLN 22 H GLN 22 25.276 -0.205 -2.779 183 HA GLN 22 HA GLN 22 25.522 2.120 -4.355 184 1HB GLN 22 HB2 GLN 22 27.831 2.225 -3.459 185 2HB GLN 22 HB3 GLN 22 26.591 1.941 -2.247 186 1HG GLN 22 HG2 GLN 22 27.929 0.351 -1.457 187 2HG GLN 22 HG3 GLN 22 27.354 -0.672 -2.766 188 1HE2 GLN 22 HE22 GLN 22 28.710 -0.627 -4.834 189 2HE2 GLN 22 HE21 GLN 22 30.445 -0.400 -4.625 Start of MODEL 10 1 1H PHE 1 H1 PHE 1 -4.242 6.451 -0.397 2 2H PHE 1 H2 PHE 1 -3.710 7.841 -1.117 3 3H PHE 1 H3 PHE 1 -4.522 7.900 0.325 4 HA PHE 1 HA PHE 1 -1.923 6.638 -0.071 5 1HB PHE 1 HB2 PHE 1 -1.701 9.048 -0.283 6 2HB PHE 1 HB3 PHE 1 -2.681 9.312 1.158 7 HD1 PHE 1 HD1 PHE 1 -1.716 9.231 3.366 8 HD2 PHE 1 HD2 PHE 1 0.576 7.917 -0.044 9 HE1 PHE 1 HE1 PHE 1 0.290 8.997 4.800 10 HE2 PHE 1 HE2 PHE 1 2.579 7.698 1.389 11 HZ PHE 1 HZ PHE 1 2.436 8.220 3.826 12 H VAL 2 H VAL 2 -1.057 5.624 1.765 13 HA VAL 2 HA VAL 2 -2.503 5.781 4.313 14 HB VAL 2 HB VAL 2 -1.767 3.154 2.943 15 1HG1 VAL 2 HG11 VAL 2 -2.766 2.071 4.916 16 2HG1 VAL 2 HG12 VAL 2 -1.394 3.069 5.405 17 3HG1 VAL 2 HG13 VAL 2 -3.054 3.652 5.664 18 1HG2 VAL 2 HG21 VAL 2 -3.857 4.004 2.004 19 2HG2 VAL 2 HG22 VAL 2 -4.207 2.663 3.094 20 3HG2 VAL 2 HG23 VAL 2 -4.491 4.329 3.634 21 HA PRO 3 HA PRO 3 1.994 5.925 5.178 22 1HB PRO 3 HB2 PRO 3 1.944 6.360 7.862 23 2HB PRO 3 HB3 PRO 3 1.380 7.596 6.709 24 1HG PRO 3 HG2 PRO 3 -0.304 5.583 8.227 25 2HG PRO 3 HG3 PRO 3 -0.538 7.354 8.140 26 1HD PRO 3 HD2 PRO 3 -1.877 5.604 6.521 27 2HD PRO 3 HD3 PRO 3 -1.374 7.216 5.933 28 H ILE 4 H ILE 4 1.455 3.561 4.407 29 HA ILE 4 HA ILE 4 0.607 1.522 5.943 30 HB ILE 4 HB ILE 4 1.854 0.004 4.493 31 1HG1 ILE 4 HG12 ILE 4 3.963 0.942 4.002 32 2HG1 ILE 4 HG13 ILE 4 3.071 0.782 2.512 33 1HG2 ILE 4 HG21 ILE 4 -0.317 0.942 3.829 34 2HG2 ILE 4 HG22 ILE 4 0.501 2.253 2.959 35 3HG2 ILE 4 HG23 ILE 4 0.699 0.576 2.428 36 1HD1 ILE 4 HD11 ILE 4 2.559 3.262 2.585 37 2HD1 ILE 4 HD12 ILE 4 3.688 3.392 3.961 38 3HD1 ILE 4 HD13 ILE 4 4.257 2.837 2.396 39 H PHE 5 H PHE 5 3.991 2.291 5.618 40 HA PHE 5 HA PHE 5 4.510 1.169 8.358 41 1HB PHE 5 HB2 PHE 5 6.543 1.131 6.110 42 2HB PHE 5 HB3 PHE 5 6.653 0.346 7.678 43 HD1 PHE 5 HD1 PHE 5 6.693 -0.564 4.486 44 HD2 PHE 5 HD2 PHE 5 4.127 -1.166 7.907 45 HE1 PHE 5 HE1 PHE 5 5.779 -2.613 3.446 46 HE2 PHE 5 HE2 PHE 5 3.229 -3.218 6.862 47 HZ PHE 5 HZ PHE 5 4.042 -3.944 4.626 48 H THR 6 H THR 6 3.669 3.757 7.376 49 HA THR 6 HA THR 6 4.184 5.972 7.394 50 HB THR 6 HB THR 6 6.783 5.293 8.844 51 HG1 THR 6 HG1 THR 6 4.836 4.546 9.857 52 1HG2 THR 6 HG21 THR 6 6.730 7.589 7.928 53 2HG2 THR 6 HG22 THR 6 5.133 7.849 8.671 54 3HG2 THR 6 HG23 THR 6 6.558 7.586 9.692 55 H TYR 7 H TYR 7 4.324 6.378 5.235 56 HA TYR 7 HA TYR 7 5.954 5.112 3.459 57 1HB TYR 7 HB2 TYR 7 4.034 6.388 2.758 58 2HB TYR 7 HB3 TYR 7 4.804 7.908 3.236 59 HD1 TYR 7 HD1 TYR 7 5.226 4.963 0.935 60 HD2 TYR 7 HD2 TYR 7 6.215 9.090 1.711 61 HE1 TYR 7 HE1 TYR 7 6.614 5.016 -1.109 62 HE2 TYR 7 HE2 TYR 7 7.602 9.137 -0.341 63 HH TYR 7 HH TYR 7 8.031 6.275 -2.431 64 H GLY 8 H GLY 8 6.790 8.121 5.135 65 1HA GLY 8 HA2 GLY 8 9.214 8.741 3.818 66 2HA GLY 8 HA3 GLY 8 8.862 9.084 5.520 67 H GLU 9 H GLU 9 8.553 6.372 6.437 68 HA GLU 9 HA GLU 9 11.363 5.782 6.919 69 1HB GLU 9 HB2 GLU 9 9.590 5.526 8.673 70 2HB GLU 9 HB3 GLU 9 8.861 4.237 7.706 71 1HG GLU 9 HG2 GLU 9 10.195 3.272 9.477 72 2HG GLU 9 HG3 GLU 9 10.933 2.885 7.921 73 H LEU 10 H LEU 10 8.620 4.318 5.133 74 HA LEU 10 HA LEU 10 10.000 2.053 4.135 75 1HB LEU 10 HB2 LEU 10 7.527 2.652 3.983 76 2HB LEU 10 HB3 LEU 10 7.913 3.623 2.563 77 HG LEU 10 HG LEU 10 8.448 0.627 2.873 78 1HD1 LEU 10 HD11 LEU 10 6.515 0.322 1.402 79 2HD1 LEU 10 HD12 LEU 10 6.041 1.211 2.855 80 3HD1 LEU 10 HD13 LEU 10 6.271 2.080 1.321 81 1HD2 LEU 10 HD21 LEU 10 9.962 1.392 1.173 82 2HD2 LEU 10 HD22 LEU 10 8.574 0.748 0.315 83 3HD2 LEU 10 HD23 LEU 10 8.749 2.505 0.487 84 H GLN 11 H GLN 11 9.660 5.319 2.689 85 HA GLN 11 HA GLN 11 11.242 4.914 0.411 86 1HB GLN 11 HB2 GLN 11 9.714 6.812 0.862 87 2HB GLN 11 HB3 GLN 11 10.864 7.499 2.009 88 1HG GLN 11 HG2 GLN 11 11.698 6.919 -0.863 89 2HG GLN 11 HG3 GLN 11 10.719 8.330 -0.477 90 1HE2 GLN 11 HE22 GLN 11 13.906 6.821 0.203 91 2HE2 GLN 11 HE21 GLN 11 14.689 8.350 0.588 92 H ARG 12 H ARG 12 12.219 6.065 3.692 93 HA ARG 12 HA ARG 12 14.986 6.339 3.037 94 1HB ARG 12 HB2 ARG 12 13.460 5.984 5.622 95 2HB ARG 12 HB3 ARG 12 15.230 6.080 5.593 96 1HG ARG 12 HG2 ARG 12 15.255 8.241 4.646 97 2HG ARG 12 HG3 ARG 12 13.569 8.158 4.128 98 1HD ARG 12 HD2 ARG 12 13.985 9.618 6.169 99 2HD ARG 12 HD3 ARG 12 12.729 8.385 6.297 100 HE ARG 12 HE ARG 12 15.527 7.961 7.306 101 1HH1 ARG 12 HH21 ARG 12 12.059 8.064 8.108 102 2HH1 ARG 12 HH22 ARG 12 12.223 6.907 9.408 103 1HH2 ARG 12 HH11 ARG 12 15.708 6.576 9.106 104 2HH2 ARG 12 HH12 ARG 12 14.288 6.135 10.020 105 H MET 13 H MET 13 13.175 3.518 4.362 106 HA MET 13 HA MET 13 15.404 1.794 4.650 107 1HB MET 13 HB2 MET 13 13.133 1.345 5.531 108 2HB MET 13 HB3 MET 13 12.534 1.122 3.881 109 1HG MET 13 HG2 MET 13 14.038 -0.820 3.584 110 2HG MET 13 HG3 MET 13 14.719 -0.537 5.190 111 1HE MET 13 HE1 MET 13 10.842 -0.395 4.162 112 2HE MET 13 HE2 MET 13 11.575 -1.660 3.141 113 3HE MET 13 HE3 MET 13 10.432 -2.100 4.433 114 H GLN 14 H GLN 14 13.248 2.406 1.841 115 HA GLN 14 HA GLN 14 14.555 0.676 0.017 116 1HB GLN 14 HB2 GLN 14 12.327 1.806 -0.288 117 2HB GLN 14 HB3 GLN 14 13.189 3.313 -0.650 118 1HG GLN 14 HG2 GLN 14 14.398 2.097 -2.513 119 2HG GLN 14 HG3 GLN 14 13.374 0.689 -2.196 120 1HE2 GLN 14 HE22 GLN 14 10.851 1.530 -1.960 121 2HE2 GLN 14 HE21 GLN 14 10.364 2.498 -3.341 122 H GLU 15 H GLU 15 15.151 4.131 0.834 123 HA GLU 15 HA GLU 15 17.172 4.670 -1.023 124 1HB GLU 15 HB2 GLU 15 15.936 6.218 0.576 125 2HB GLU 15 HB3 GLU 15 17.127 5.779 1.807 126 1HG GLU 15 HG2 GLU 15 18.934 6.625 0.339 127 2HG GLU 15 HG3 GLU 15 17.734 7.036 -0.902 128 H LYS 16 H LYS 16 17.466 3.436 2.338 129 HA LYS 16 HA LYS 16 20.287 3.047 2.361 130 1HB LYS 16 HB2 LYS 16 18.053 1.605 3.838 131 2HB LYS 16 HB3 LYS 16 19.777 1.398 4.183 132 1HG LYS 16 HG2 LYS 16 20.023 3.742 4.762 133 2HG LYS 16 HG3 LYS 16 18.349 4.089 4.306 134 1HD LYS 16 HD2 LYS 16 17.556 2.456 6.035 135 2HD LYS 16 HD3 LYS 16 19.231 2.239 6.572 136 1HE LYS 16 HE2 LYS 16 17.656 4.864 6.578 137 2HE LYS 16 HE3 LYS 16 17.979 3.847 7.992 138 1HZ LYS 16 HZ1 LYS 16 20.318 4.230 7.655 139 2HZ LYS 16 HZ2 LYS 16 20.009 5.205 6.363 140 3HZ LYS 16 HZ3 LYS 16 19.509 5.649 7.867 141 H GLU 17 H GLU 17 17.611 0.822 1.470 142 HA GLU 17 HA GLU 17 19.134 -1.461 0.919 143 1HB GLU 17 HB2 GLU 17 16.649 -1.331 1.059 144 2HB GLU 17 HB3 GLU 17 16.615 -0.558 -0.534 145 1HG GLU 17 HG2 GLU 17 17.661 -2.569 -1.539 146 2HG GLU 17 HG3 GLU 17 17.716 -3.334 0.059 147 H ARG 18 H ARG 18 18.083 1.052 -1.484 148 HA ARG 18 HA ARG 18 19.679 -0.133 -3.556 149 1HB ARG 18 HB2 ARG 18 19.211 1.771 -4.900 150 2HB ARG 18 HB3 ARG 18 17.744 1.228 -4.069 151 1HG ARG 18 HG2 ARG 18 17.970 3.087 -2.459 152 2HG ARG 18 HG3 ARG 18 19.462 3.621 -3.241 153 1HD ARG 18 HD2 ARG 18 17.596 5.000 -3.925 154 2HD ARG 18 HD3 ARG 18 18.245 4.143 -5.309 155 HE ARG 18 HE ARG 18 15.633 3.782 -3.945 156 1HH1 ARG 18 HH21 ARG 18 17.805 2.512 -6.437 157 2HH1 ARG 18 HH22 ARG 18 16.525 1.785 -7.366 158 1HH2 ARG 18 HH11 ARG 18 13.956 2.838 -5.157 159 2HH2 ARG 18 HH12 ARG 18 14.319 1.945 -6.608 160 H ASN 19 H ASN 19 20.388 2.439 -1.174 161 HA ASN 19 HA ASN 19 22.839 3.308 -2.273 162 1HB ASN 19 HB2 ASN 19 21.798 4.540 -0.474 163 2HB ASN 19 HB3 ASN 19 21.894 3.139 0.607 164 1HD2 ASN 19 HD22 ASN 19 24.188 5.048 -1.484 165 2HD2 ASN 19 HD21 ASN 19 25.421 5.119 -0.236 166 H LYS 20 H LYS 20 22.189 0.597 0.029 167 HA LYS 20 HA LYS 20 24.952 -0.291 0.055 168 1HB LYS 20 HB2 LYS 20 22.334 -1.735 0.613 169 2HB LYS 20 HB3 LYS 20 23.943 -2.457 0.821 170 1HG LYS 20 HG2 LYS 20 24.558 -0.589 2.371 171 2HG LYS 20 HG3 LYS 20 22.907 0.015 2.287 172 1HD LYS 20 HD2 LYS 20 23.830 -2.718 3.318 173 2HD LYS 20 HD3 LYS 20 23.288 -1.359 4.309 174 1HE LYS 20 HE2 LYS 20 21.577 -2.987 2.367 175 2HE LYS 20 HE3 LYS 20 21.509 -3.019 4.130 176 1HZ LYS 20 HZ1 LYS 20 20.836 -0.728 4.095 177 2HZ LYS 20 HZ2 LYS 20 20.889 -0.696 2.447 178 3HZ LYS 20 HZ3 LYS 20 19.793 -1.658 3.218 179 H GLY 21 H GLY 21 22.058 -1.288 -1.834 180 1HA GLY 21 HA2 GLY 21 23.522 -3.180 -3.463 181 2HA GLY 21 HA3 GLY 21 21.853 -2.637 -3.664 182 H GLN 22 H GLN 22 25.032 -0.961 -3.807 183 HA GLN 22 HA GLN 22 24.369 0.113 -6.529 184 1HB GLN 22 HB2 GLN 22 26.430 0.922 -4.440 185 2HB GLN 22 HB3 GLN 22 26.450 1.495 -6.118 186 1HG GLN 22 HG2 GLN 22 24.190 2.436 -5.871 187 2HG GLN 22 HG3 GLN 22 24.122 1.874 -4.199 188 1HE2 GLN 22 HE22 GLN 22 25.610 2.833 -2.622 189 2HE2 GLN 22 HE21 GLN 22 26.320 4.417 -2.942 Start of MODEL 11 1 1H PHE 1 H1 PHE 1 0.053 8.413 -1.410 2 2H PHE 1 H2 PHE 1 -0.841 8.482 -0.020 3 3H PHE 1 H3 PHE 1 -1.198 7.360 -1.162 4 HA PHE 1 HA PHE 1 0.835 6.234 -0.819 5 1HB PHE 1 HB2 PHE 1 2.320 6.895 1.011 6 2HB PHE 1 HB3 PHE 1 2.226 8.133 -0.230 7 HD1 PHE 1 HD1 PHE 1 1.314 10.341 0.255 8 HD2 PHE 1 HD2 PHE 1 1.203 7.231 3.242 9 HE1 PHE 1 HE1 PHE 1 0.649 12.003 1.969 10 HE2 PHE 1 HE2 PHE 1 0.514 8.898 4.944 11 HZ PHE 1 HZ PHE 1 0.241 11.283 4.312 12 H VAL 2 H VAL 2 1.214 4.732 1.032 13 HA VAL 2 HA VAL 2 -1.103 4.550 2.894 14 HB VAL 2 HB VAL 2 -1.408 2.880 1.294 15 1HG1 VAL 2 HG11 VAL 2 1.425 1.846 1.724 16 2HG1 VAL 2 HG12 VAL 2 0.158 1.113 0.737 17 3HG1 VAL 2 HG13 VAL 2 0.827 2.678 0.274 18 1HG2 VAL 2 HG21 VAL 2 -0.173 1.624 3.774 19 2HG2 VAL 2 HG22 VAL 2 -1.817 2.286 3.650 20 3HG2 VAL 2 HG23 VAL 2 -1.354 0.874 2.684 21 HA PRO 3 HA PRO 3 2.628 5.120 5.322 22 1HB PRO 3 HB2 PRO 3 1.592 6.082 7.649 23 2HB PRO 3 HB3 PRO 3 1.469 6.986 6.120 24 1HG PRO 3 HG2 PRO 3 -0.614 5.141 7.328 25 2HG PRO 3 HG3 PRO 3 -0.842 6.834 6.798 26 1HD PRO 3 HD2 PRO 3 -1.436 4.705 5.186 27 2HD PRO 3 HD3 PRO 3 -0.759 6.221 4.517 28 H ILE 4 H ILE 4 2.226 2.522 4.966 29 HA ILE 4 HA ILE 4 1.115 0.939 6.907 30 HB ILE 4 HB ILE 4 3.323 -0.617 6.090 31 1HG1 ILE 4 HG12 ILE 4 3.399 -0.395 3.668 32 2HG1 ILE 4 HG13 ILE 4 2.465 1.093 3.726 33 1HG2 ILE 4 HG21 ILE 4 0.997 -1.325 6.224 34 2HG2 ILE 4 HG22 ILE 4 0.594 -0.341 4.801 35 3HG2 ILE 4 HG23 ILE 4 1.699 -1.721 4.648 36 1HD1 ILE 4 HD11 ILE 4 4.374 2.227 4.873 37 2HD1 ILE 4 HD12 ILE 4 5.214 0.664 4.979 38 3HD1 ILE 4 HD13 ILE 4 4.905 1.410 3.411 39 H PHE 5 H PHE 5 4.518 1.833 6.857 40 HA PHE 5 HA PHE 5 4.490 1.721 9.839 41 1HB PHE 5 HB2 PHE 5 6.806 0.981 9.897 42 2HB PHE 5 HB3 PHE 5 5.733 -0.235 9.234 43 HD1 PHE 5 HD1 PHE 5 5.901 -0.959 6.895 44 HD2 PHE 5 HD2 PHE 5 8.584 1.980 8.545 45 HE1 PHE 5 HE1 PHE 5 7.463 -1.319 5.003 46 HE2 PHE 5 HE2 PHE 5 10.147 1.612 6.648 47 HZ PHE 5 HZ PHE 5 9.593 -0.041 4.885 48 H THR 6 H THR 6 3.808 3.757 8.012 49 HA THR 6 HA THR 6 4.059 6.000 7.952 50 HB THR 6 HB THR 6 6.937 5.954 8.880 51 HG1 THR 6 HG1 THR 6 5.994 4.956 10.498 52 1HG2 THR 6 HG21 THR 6 4.698 8.000 9.142 53 2HG2 THR 6 HG22 THR 6 6.366 8.182 9.716 54 3HG2 THR 6 HG23 THR 6 6.040 8.080 7.976 55 H TYR 7 H TYR 7 4.063 6.562 5.872 56 HA TYR 7 HA TYR 7 5.475 5.296 3.845 57 1HB TYR 7 HB2 TYR 7 3.505 6.566 3.355 58 2HB TYR 7 HB3 TYR 7 4.241 8.067 3.925 59 HD1 TYR 7 HD1 TYR 7 5.439 9.465 2.413 60 HD2 TYR 7 HD2 TYR 7 4.670 5.357 1.351 61 HE1 TYR 7 HE1 TYR 7 6.670 9.780 0.288 62 HE2 TYR 7 HE2 TYR 7 5.866 5.687 -0.788 63 HH TYR 7 HH TYR 7 6.994 7.176 -2.124 64 H GLY 8 H GLY 8 6.401 8.224 5.603 65 1HA GLY 8 HA2 GLY 8 8.721 8.985 4.206 66 2HA GLY 8 HA3 GLY 8 8.493 9.147 5.957 67 H GLU 9 H GLU 9 8.278 6.365 6.638 68 HA GLU 9 HA GLU 9 11.121 5.728 6.729 69 1HB GLU 9 HB2 GLU 9 8.682 4.302 7.847 70 2HB GLU 9 HB3 GLU 9 10.361 3.799 8.067 71 1HG GLU 9 HG2 GLU 9 10.872 6.051 9.069 72 2HG GLU 9 HG3 GLU 9 9.161 6.456 8.990 73 H LEU 10 H LEU 10 8.194 4.490 5.054 74 HA LEU 10 HA LEU 10 9.483 2.270 3.804 75 1HB LEU 10 HB2 LEU 10 7.018 2.684 3.684 76 2HB LEU 10 HB3 LEU 10 7.325 4.075 2.639 77 HG LEU 10 HG LEU 10 8.513 2.436 1.023 78 1HD1 LEU 10 HD11 LEU 10 8.738 0.514 2.550 79 2HD1 LEU 10 HD12 LEU 10 6.973 0.419 2.717 80 3HD1 LEU 10 HD13 LEU 10 7.743 0.097 1.150 81 1HD2 LEU 10 HD21 LEU 10 6.402 1.782 -0.017 82 2HD2 LEU 10 HD22 LEU 10 5.515 2.239 1.450 83 3HD2 LEU 10 HD23 LEU 10 6.385 3.469 0.517 84 H GLN 11 H GLN 11 9.174 5.681 2.720 85 HA GLN 11 HA GLN 11 10.687 5.355 0.355 86 1HB GLN 11 HB2 GLN 11 9.188 7.272 0.846 87 2HB GLN 11 HB3 GLN 11 10.327 7.851 2.070 88 1HG GLN 11 HG2 GLN 11 10.607 9.096 -0.018 89 2HG GLN 11 HG3 GLN 11 12.057 8.159 0.333 90 1HE2 GLN 11 HE22 GLN 11 8.982 8.043 -1.618 91 2HE2 GLN 11 HE21 GLN 11 9.747 7.183 -2.942 92 H ARG 12 H ARG 12 11.707 6.389 3.655 93 HA ARG 12 HA ARG 12 14.450 6.705 3.198 94 1HB ARG 12 HB2 ARG 12 13.274 7.180 5.339 95 2HB ARG 12 HB3 ARG 12 13.085 5.441 5.592 96 1HG ARG 12 HG2 ARG 12 15.639 5.248 5.548 97 2HG ARG 12 HG3 ARG 12 15.686 7.017 5.508 98 1HD ARG 12 HD2 ARG 12 15.921 6.217 7.824 99 2HD ARG 12 HD3 ARG 12 14.372 7.066 7.625 100 HE ARG 12 HE ARG 12 14.254 4.173 7.185 101 1HH1 ARG 12 HH11 ARG 12 14.069 6.668 9.689 102 2HH1 ARG 12 HH12 ARG 12 12.979 5.752 10.699 103 1HH2 ARG 12 HH21 ARG 12 12.869 2.970 8.522 104 2HH2 ARG 12 HH22 ARG 12 12.196 3.681 9.969 105 H MET 13 H MET 13 12.712 3.642 4.068 106 HA MET 13 HA MET 13 14.958 1.939 3.959 107 1HB MET 13 HB2 MET 13 12.848 1.328 4.952 108 2HB MET 13 HB3 MET 13 12.011 1.390 3.408 109 1HG MET 13 HG2 MET 13 14.317 -0.500 4.025 110 2HG MET 13 HG3 MET 13 12.622 -0.905 4.295 111 1HE MET 13 HE1 MET 13 10.811 -1.170 2.377 112 2HE MET 13 HE2 MET 13 11.231 0.364 1.566 113 3HE MET 13 HE3 MET 13 11.209 -1.148 0.645 114 H GLN 14 H GLN 14 12.602 2.786 1.391 115 HA GLN 14 HA GLN 14 13.694 1.318 -0.707 116 1HB GLN 14 HB2 GLN 14 11.526 2.519 -0.733 117 2HB GLN 14 HB3 GLN 14 12.379 4.067 -0.870 118 1HG GLN 14 HG2 GLN 14 13.305 3.425 -3.037 119 2HG GLN 14 HG3 GLN 14 12.633 1.788 -2.856 120 1HE2 GLN 14 HE22 GLN 14 11.409 5.228 -2.672 121 2HE2 GLN 14 HE21 GLN 14 9.980 4.850 -3.633 122 H GLU 15 H GLU 15 14.632 4.624 0.382 123 HA GLU 15 HA GLU 15 16.697 4.988 -1.589 124 1HB GLU 15 HB2 GLU 15 16.330 6.168 1.193 125 2HB GLU 15 HB3 GLU 15 17.595 6.652 0.059 126 1HG GLU 15 HG2 GLU 15 15.952 7.400 -1.574 127 2HG GLU 15 HG3 GLU 15 14.616 6.784 -0.596 128 H LYS 16 H LYS 16 16.781 3.711 1.784 129 HA LYS 16 HA LYS 16 19.568 3.252 1.868 130 1HB LYS 16 HB2 LYS 16 17.299 1.826 3.294 131 2HB LYS 16 HB3 LYS 16 18.999 1.532 3.642 132 1HG LYS 16 HG2 LYS 16 17.745 4.304 3.832 133 2HG LYS 16 HG3 LYS 16 17.808 3.158 5.176 134 1HD LYS 16 HD2 LYS 16 20.298 3.087 4.994 135 2HD LYS 16 HD3 LYS 16 20.231 4.297 3.698 136 1HE LYS 16 HE2 LYS 16 19.119 5.897 5.235 137 2HE LYS 16 HE3 LYS 16 19.220 4.702 6.546 138 1HZ LYS 16 HZ1 LYS 16 21.503 5.870 5.114 139 2HZ LYS 16 HZ2 LYS 16 21.002 6.274 6.631 140 3HZ LYS 16 HZ3 LYS 16 21.597 4.766 6.333 141 H GLU 17 H GLU 17 17.005 1.168 0.447 142 HA GLU 17 HA GLU 17 18.660 -1.051 -0.082 143 1HB GLU 17 HB2 GLU 17 16.573 0.080 -1.990 144 2HB GLU 17 HB3 GLU 17 17.268 -1.542 -2.016 145 1HG GLU 17 HG2 GLU 17 15.441 -0.382 0.109 146 2HG GLU 17 HG3 GLU 17 15.101 -1.699 -1.001 147 H ARG 18 H ARG 18 18.699 2.112 -1.762 148 HA ARG 18 HA ARG 18 20.446 1.152 -3.894 149 1HB ARG 18 HB2 ARG 18 19.772 3.957 -2.906 150 2HB ARG 18 HB3 ARG 18 20.971 3.617 -4.145 151 1HG ARG 18 HG2 ARG 18 18.912 4.215 -5.209 152 2HG ARG 18 HG3 ARG 18 19.308 2.529 -5.572 153 1HD ARG 18 HD2 ARG 18 17.653 1.767 -3.925 154 2HD ARG 18 HD3 ARG 18 17.289 3.451 -3.474 155 HE ARG 18 HE ARG 18 16.884 3.298 -6.220 156 1HH1 ARG 18 HH21 ARG 18 15.517 1.829 -3.304 157 2HH1 ARG 18 HH22 ARG 18 14.187 1.069 -4.148 158 1HH2 ARG 18 HH11 ARG 18 14.988 2.553 -7.268 159 2HH2 ARG 18 HH12 ARG 18 13.778 1.658 -6.390 160 H ASN 19 H ASN 19 20.866 2.630 -0.676 161 HA ASN 19 HA ASN 19 23.699 2.947 -0.808 162 1HB ASN 19 HB2 ASN 19 22.116 3.921 0.915 163 2HB ASN 19 HB3 ASN 19 22.111 2.344 1.711 164 1HD2 ASN 19 HD22 ASN 19 25.223 2.103 0.858 165 2HD2 ASN 19 HD21 ASN 19 25.933 3.113 2.096 166 H LYS 20 H LYS 20 21.617 0.222 0.269 167 HA LYS 20 HA LYS 20 23.739 -1.556 1.023 168 1HB LYS 20 HB2 LYS 20 20.940 -2.143 -0.027 169 2HB LYS 20 HB3 LYS 20 22.032 -3.342 0.675 170 1HG LYS 20 HG2 LYS 20 22.031 -2.182 2.827 171 2HG LYS 20 HG3 LYS 20 21.046 -0.870 2.163 172 1HD LYS 20 HD2 LYS 20 19.247 -2.550 1.621 173 2HD LYS 20 HD3 LYS 20 20.202 -3.789 2.451 174 1HE LYS 20 HE2 LYS 20 20.056 -2.506 4.560 175 2HE LYS 20 HE3 LYS 20 19.207 -1.189 3.723 176 1HZ LYS 20 HZ1 LYS 20 17.428 -2.673 3.253 177 2HZ LYS 20 HZ2 LYS 20 18.197 -3.928 4.002 178 3HZ LYS 20 HZ3 LYS 20 17.703 -2.621 4.879 179 H GLY 21 H GLY 21 21.957 -1.097 -2.059 180 1HA GLY 21 HA2 GLY 21 23.234 -3.020 -3.641 181 2HA GLY 21 HA3 GLY 21 22.566 -1.489 -4.227 182 H GLN 22 H GLN 22 24.241 0.379 -2.982 183 HA GLN 22 HA GLN 22 27.025 -0.322 -3.333 184 1HB GLN 22 HB2 GLN 22 27.480 1.389 -5.066 185 2HB GLN 22 HB3 GLN 22 26.647 -0.036 -5.671 186 1HG GLN 22 HG2 GLN 22 25.092 2.501 -4.981 187 2HG GLN 22 HG3 GLN 22 25.946 2.304 -6.505 188 1HE2 GLN 22 HE22 GLN 22 23.110 1.252 -4.678 189 2HE2 GLN 22 HE21 GLN 22 22.401 0.389 -6.040 Start of MODEL 12 1 1H PHE 1 H1 PHE 1 -3.051 6.124 -1.367 2 2H PHE 1 H2 PHE 1 -3.042 7.700 -1.864 3 3H PHE 1 H3 PHE 1 -4.139 7.186 -0.737 4 HA PHE 1 HA PHE 1 -1.249 7.263 -0.362 5 1HB PHE 1 HB2 PHE 1 -2.277 9.501 -0.472 6 2HB PHE 1 HB3 PHE 1 -3.415 9.054 0.792 7 HD1 PHE 1 HD1 PHE 1 0.064 10.003 0.028 8 HD2 PHE 1 HD2 PHE 1 -2.659 8.794 3.147 9 HE1 PHE 1 HE1 PHE 1 1.671 10.794 1.743 10 HE2 PHE 1 HE2 PHE 1 -1.029 9.551 4.857 11 HZ PHE 1 HZ PHE 1 1.129 10.565 4.159 12 H VAL 2 H VAL 2 -0.631 5.729 1.086 13 HA VAL 2 HA VAL 2 -2.404 5.066 3.360 14 HB VAL 2 HB VAL 2 -2.948 3.430 1.756 15 1HG1 VAL 2 HG11 VAL 2 -0.923 3.478 0.299 16 2HG1 VAL 2 HG12 VAL 2 -0.049 2.538 1.529 17 3HG1 VAL 2 HG13 VAL 2 -1.468 1.856 0.737 18 1HG2 VAL 2 HG21 VAL 2 -2.813 2.746 4.097 19 2HG2 VAL 2 HG22 VAL 2 -2.402 1.400 3.019 20 3HG2 VAL 2 HG23 VAL 2 -1.118 2.265 3.888 21 HA PRO 3 HA PRO 3 1.842 5.816 4.819 22 1HB PRO 3 HB2 PRO 3 1.311 6.622 7.361 23 2HB PRO 3 HB3 PRO 3 0.884 7.621 5.948 24 1HG PRO 3 HG2 PRO 3 -0.913 5.721 7.478 25 2HG PRO 3 HG3 PRO 3 -1.232 7.433 7.070 26 1HD PRO 3 HD2 PRO 3 -2.160 5.347 5.562 27 2HD PRO 3 HD3 PRO 3 -1.674 6.897 4.810 28 H ILE 4 H ILE 4 1.511 3.307 4.351 29 HA ILE 4 HA ILE 4 0.723 1.431 6.137 30 HB ILE 4 HB ILE 4 3.009 0.205 5.007 31 1HG1 ILE 4 HG12 ILE 4 2.968 0.725 2.651 32 2HG1 ILE 4 HG13 ILE 4 1.885 2.083 2.900 33 1HG2 ILE 4 HG21 ILE 4 0.222 0.380 3.843 34 2HG2 ILE 4 HG22 ILE 4 1.438 -0.870 3.520 35 3HG2 ILE 4 HG23 ILE 4 0.749 -0.712 5.143 36 1HD1 ILE 4 HD11 ILE 4 4.247 2.716 2.513 37 2HD1 ILE 4 HD12 ILE 4 3.696 3.315 4.068 38 3HD1 ILE 4 HD13 ILE 4 4.729 1.863 3.992 39 H PHE 5 H PHE 5 4.030 2.550 5.913 40 HA PHE 5 HA PHE 5 4.496 1.754 8.779 41 1HB PHE 5 HB2 PHE 5 6.665 2.047 6.700 42 2HB PHE 5 HB3 PHE 5 6.747 1.244 8.261 43 HD1 PHE 5 HD1 PHE 5 4.531 -0.647 8.291 44 HD2 PHE 5 HD2 PHE 5 7.051 0.501 4.977 45 HE1 PHE 5 HE1 PHE 5 3.930 -2.732 7.102 46 HE2 PHE 5 HE2 PHE 5 6.434 -1.579 3.793 47 HZ PHE 5 HZ PHE 5 4.868 -3.196 4.843 48 H THR 6 H THR 6 3.363 4.222 7.458 49 HA THR 6 HA THR 6 3.601 6.479 7.404 50 HB THR 6 HB THR 6 5.823 6.179 9.470 51 HG1 THR 6 HG1 THR 6 3.764 5.207 9.989 52 1HG2 THR 6 HG21 THR 6 3.966 8.495 8.772 53 2HG2 THR 6 HG22 THR 6 5.719 8.434 8.461 54 3HG2 THR 6 HG23 THR 6 5.112 8.441 10.125 55 H TYR 7 H TYR 7 4.174 6.600 5.302 56 HA TYR 7 HA TYR 7 5.952 5.689 3.745 57 1HB TYR 7 HB2 TYR 7 5.078 8.583 3.794 58 2HB TYR 7 HB3 TYR 7 6.101 7.954 2.509 59 HD1 TYR 7 HD1 TYR 7 5.372 5.887 1.201 60 HD2 TYR 7 HD2 TYR 7 2.683 8.264 3.593 61 HE1 TYR 7 HE1 TYR 7 3.468 5.078 -0.144 62 HE2 TYR 7 HE2 TYR 7 0.773 7.438 2.247 63 HH TYR 7 HH TYR 7 1.220 5.219 -0.520 64 H GLY 8 H GLY 8 7.006 8.583 5.512 65 1HA GLY 8 HA2 GLY 8 9.559 9.010 4.621 66 2HA GLY 8 HA3 GLY 8 9.108 9.124 6.328 67 H GLU 9 H GLU 9 8.623 6.415 6.938 68 HA GLU 9 HA GLU 9 11.289 5.452 7.428 69 1HB GLU 9 HB2 GLU 9 8.640 3.942 7.553 70 2HB GLU 9 HB3 GLU 9 10.159 3.474 8.324 71 1HG GLU 9 HG2 GLU 9 8.470 5.933 9.010 72 2HG GLU 9 HG3 GLU 9 8.614 4.453 9.949 73 H LEU 10 H LEU 10 8.748 4.531 5.091 74 HA LEU 10 HA LEU 10 10.172 2.284 3.998 75 1HB LEU 10 HB2 LEU 10 7.742 2.493 3.781 76 2HB LEU 10 HB3 LEU 10 7.916 3.993 2.870 77 HG LEU 10 HG LEU 10 9.017 2.808 1.021 78 1HD1 LEU 10 HD11 LEU 10 10.107 0.933 2.176 79 2HD1 LEU 10 HD12 LEU 10 8.528 0.300 2.696 80 3HD1 LEU 10 HD13 LEU 10 8.975 0.306 0.978 81 1HD2 LEU 10 HD21 LEU 10 7.045 1.607 0.223 82 2HD2 LEU 10 HD22 LEU 10 6.399 1.516 1.875 83 3HD2 LEU 10 HD23 LEU 10 6.565 3.091 1.064 84 H GLN 11 H GLN 11 9.828 5.748 3.091 85 HA GLN 11 HA GLN 11 11.474 5.512 0.763 86 1HB GLN 11 HB2 GLN 11 11.144 8.039 2.424 87 2HB GLN 11 HB3 GLN 11 11.600 7.894 0.725 88 1HG GLN 11 HG2 GLN 11 8.900 7.675 2.003 89 2HG GLN 11 HG3 GLN 11 9.370 8.506 0.530 90 1HE2 GLN 11 HE22 GLN 11 10.363 6.699 -1.178 91 2HE2 GLN 11 HE21 GLN 11 9.403 5.232 -1.290 92 H ARG 12 H ARG 12 12.351 6.326 4.160 93 HA ARG 12 HA ARG 12 15.109 6.672 3.636 94 1HB ARG 12 HB2 ARG 12 13.982 7.213 5.784 95 2HB ARG 12 HB3 ARG 12 13.873 5.477 6.146 96 1HG ARG 12 HG2 ARG 12 16.350 5.299 6.052 97 2HG ARG 12 HG3 ARG 12 16.464 7.001 5.579 98 1HD ARG 12 HD2 ARG 12 17.004 6.734 7.922 99 2HD ARG 12 HD3 ARG 12 15.545 7.693 7.769 100 HE ARG 12 HE ARG 12 15.854 4.892 8.740 101 1HH1 ARG 12 HH11 ARG 12 13.570 7.518 8.063 102 2HH1 ARG 12 HH12 ARG 12 12.361 6.931 9.171 103 1HH2 ARG 12 HH21 ARG 12 14.257 4.075 10.105 104 2HH2 ARG 12 HH22 ARG 12 12.733 4.897 10.303 105 H MET 13 H MET 13 13.264 3.663 4.401 106 HA MET 13 HA MET 13 15.464 1.879 4.263 107 1HB MET 13 HB2 MET 13 12.512 1.501 3.652 108 2HB MET 13 HB3 MET 13 13.669 0.181 3.582 109 1HG MET 13 HG2 MET 13 13.249 1.926 6.039 110 2HG MET 13 HG3 MET 13 12.407 0.405 5.760 111 1HE MET 13 HE1 MET 13 14.728 -1.539 4.602 112 2HE MET 13 HE2 MET 13 15.233 -2.247 6.148 113 3HE MET 13 HE3 MET 13 13.508 -1.955 5.832 114 H GLN 14 H GLN 14 13.270 2.944 1.594 115 HA GLN 14 HA GLN 14 14.581 1.484 -0.453 116 1HB GLN 14 HB2 GLN 14 13.095 4.145 -0.581 117 2HB GLN 14 HB3 GLN 14 13.689 3.264 -1.993 118 1HG GLN 14 HG2 GLN 14 12.310 1.287 -1.338 119 2HG GLN 14 HG3 GLN 14 11.648 2.209 0.011 120 1HE2 GLN 14 HE22 GLN 14 12.037 2.307 -3.574 121 2HE2 GLN 14 HE21 GLN 14 10.531 3.162 -3.858 122 H GLU 15 H GLU 15 15.242 4.831 0.712 123 HA GLU 15 HA GLU 15 17.391 5.354 -1.068 124 1HB GLU 15 HB2 GLU 15 16.803 6.353 1.751 125 2HB GLU 15 HB3 GLU 15 18.159 6.944 0.788 126 1HG GLU 15 HG2 GLU 15 15.240 7.091 -0.097 127 2HG GLU 15 HG3 GLU 15 16.153 8.415 0.637 128 H LYS 16 H LYS 16 17.471 3.909 2.229 129 HA LYS 16 HA LYS 16 20.269 3.518 2.361 130 1HB LYS 16 HB2 LYS 16 18.782 3.324 4.275 131 2HB LYS 16 HB3 LYS 16 17.976 1.924 3.552 132 1HG LYS 16 HG2 LYS 16 20.023 0.583 3.745 133 2HG LYS 16 HG3 LYS 16 20.939 2.001 4.265 134 1HD LYS 16 HD2 LYS 16 20.326 0.490 6.150 135 2HD LYS 16 HD3 LYS 16 19.737 2.143 6.350 136 1HE LYS 16 HE2 LYS 16 18.067 0.411 7.021 137 2HE LYS 16 HE3 LYS 16 17.470 1.504 5.773 138 1HZ LYS 16 HZ1 LYS 16 18.512 -1.208 5.321 139 2HZ LYS 16 HZ2 LYS 16 16.928 -0.744 5.292 140 3HZ LYS 16 HZ3 LYS 16 17.968 -0.184 4.147 141 H GLU 17 H GLU 17 17.692 1.308 1.179 142 HA GLU 17 HA GLU 17 19.331 -0.864 0.413 143 1HB GLU 17 HB2 GLU 17 16.690 0.184 -0.663 144 2HB GLU 17 HB3 GLU 17 17.408 -1.339 -1.200 145 1HG GLU 17 HG2 GLU 17 17.207 -2.355 0.930 146 2HG GLU 17 HG3 GLU 17 16.968 -0.819 1.763 147 H ARG 18 H ARG 18 18.301 2.019 -1.509 148 HA ARG 18 HA ARG 18 19.731 1.228 -3.831 149 1HB ARG 18 HB2 ARG 18 18.771 3.913 -2.802 150 2HB ARG 18 HB3 ARG 18 19.637 3.799 -4.327 151 1HG ARG 18 HG2 ARG 18 17.178 2.075 -3.853 152 2HG ARG 18 HG3 ARG 18 17.035 3.780 -4.275 153 1HD ARG 18 HD2 ARG 18 16.853 2.640 -6.307 154 2HD ARG 18 HD3 ARG 18 18.441 3.378 -6.343 155 HE ARG 18 HE ARG 18 17.694 0.516 -6.152 156 1HH1 ARG 18 HH21 ARG 18 20.439 2.813 -6.112 157 2HH1 ARG 18 HH22 ARG 18 21.602 1.513 -6.312 158 1HH2 ARG 18 HH11 ARG 18 19.310 -1.071 -6.592 159 2HH2 ARG 18 HH12 ARG 18 20.995 -0.557 -6.617 160 H ASN 19 H ASN 19 20.705 3.253 -1.068 161 HA ASN 19 HA ASN 19 23.268 4.017 -2.099 162 1HB ASN 19 HB2 ASN 19 22.086 3.886 0.691 163 2HB ASN 19 HB3 ASN 19 23.811 4.165 0.458 164 1HD2 ASN 19 HD22 ASN 19 20.623 5.461 -0.621 165 2HD2 ASN 19 HD21 ASN 19 21.212 7.111 -0.797 166 H LYS 20 H LYS 20 22.202 1.136 -0.256 167 HA LYS 20 HA LYS 20 24.825 -0.054 -0.143 168 1HB LYS 20 HB2 LYS 20 22.858 -0.719 1.226 169 2HB LYS 20 HB3 LYS 20 22.101 -1.424 -0.211 170 1HG LYS 20 HG2 LYS 20 24.139 -2.913 -0.462 171 2HG LYS 20 HG3 LYS 20 24.737 -2.281 1.073 172 1HD LYS 20 HD2 LYS 20 22.145 -3.829 0.570 173 2HD LYS 20 HD3 LYS 20 23.594 -4.446 1.365 174 1HE LYS 20 HE2 LYS 20 21.704 -2.293 2.427 175 2HE LYS 20 HE3 LYS 20 21.905 -3.938 3.035 176 1HZ LYS 20 HZ1 LYS 20 24.158 -3.388 3.622 177 2HZ LYS 20 HZ2 LYS 20 23.958 -1.844 3.081 178 3HZ LYS 20 HZ3 LYS 20 23.088 -2.383 4.370 179 H GLY 21 H GLY 21 22.054 -0.558 -2.370 180 1HA GLY 21 HA2 GLY 21 23.478 -2.298 -4.173 181 2HA GLY 21 HA3 GLY 21 21.852 -1.627 -4.360 182 H GLN 22 H GLN 22 25.189 -0.388 -4.258 183 HA GLN 22 HA GLN 22 24.888 1.784 -6.070 184 1HB GLN 22 HB2 GLN 22 27.267 0.050 -5.305 185 2HB GLN 22 HB3 GLN 22 27.418 1.538 -6.250 186 1HG GLN 22 HG2 GLN 22 26.957 2.920 -4.469 187 2HG GLN 22 HG3 GLN 22 25.871 1.775 -3.693 188 1HE2 GLN 22 HE22 GLN 22 26.782 -0.071 -2.485 189 2HE2 GLN 22 HE21 GLN 22 28.408 0.093 -1.831 Start of MODEL 13 1 1H PHE 1 H1 PHE 1 2.852 8.426 -2.273 2 2H PHE 1 H2 PHE 1 1.422 7.602 -2.375 3 3H PHE 1 H3 PHE 1 2.832 6.778 -2.174 4 HA PHE 1 HA PHE 1 3.149 7.698 -0.030 5 1HB PHE 1 HB2 PHE 1 2.036 9.850 -0.526 6 2HB PHE 1 HB3 PHE 1 0.471 9.047 -0.522 7 HD1 PHE 1 HD1 PHE 1 -0.476 8.134 1.625 8 HD2 PHE 1 HD2 PHE 1 3.136 10.480 1.521 9 HE1 PHE 1 HE1 PHE 1 -0.564 8.384 4.090 10 HE2 PHE 1 HE2 PHE 1 3.052 10.715 3.989 11 HZ PHE 1 HZ PHE 1 1.218 9.644 5.280 12 H VAL 2 H VAL 2 2.854 5.920 1.255 13 HA VAL 2 HA VAL 2 0.197 4.613 1.349 14 HB VAL 2 HB VAL 2 1.371 2.399 1.404 15 1HG1 VAL 2 HG11 VAL 2 1.410 3.917 -1.237 16 2HG1 VAL 2 HG12 VAL 2 1.311 2.161 -1.020 17 3HG1 VAL 2 HG13 VAL 2 -0.025 3.189 -0.484 18 1HG2 VAL 2 HG21 VAL 2 3.462 2.158 0.147 19 2HG2 VAL 2 HG22 VAL 2 3.623 3.913 -0.007 20 3HG2 VAL 2 HG23 VAL 2 3.742 3.134 1.585 21 HA PRO 3 HA PRO 3 1.668 5.135 5.632 22 1HB PRO 3 HB2 PRO 3 -0.728 5.258 6.890 23 2HB PRO 3 HB3 PRO 3 -0.125 6.616 5.897 24 1HG PRO 3 HG2 PRO 3 -2.134 4.493 5.120 25 2HG PRO 3 HG3 PRO 3 -2.221 6.250 4.830 26 1HD PRO 3 HD2 PRO 3 -1.338 4.372 2.980 27 2HD PRO 3 HD3 PRO 3 -0.820 6.082 2.961 28 H ILE 4 H ILE 4 2.616 3.264 6.104 29 HA ILE 4 HA ILE 4 0.909 0.996 6.947 30 HB ILE 4 HB ILE 4 3.239 -0.260 6.076 31 1HG1 ILE 4 HG12 ILE 4 3.419 0.276 3.672 32 2HG1 ILE 4 HG13 ILE 4 2.420 1.703 3.879 33 1HG2 ILE 4 HG21 ILE 4 0.944 -1.088 5.923 34 2HG2 ILE 4 HG22 ILE 4 0.599 0.067 4.617 35 3HG2 ILE 4 HG23 ILE 4 1.776 -1.239 4.370 36 1HD1 ILE 4 HD11 ILE 4 4.261 2.699 5.320 37 2HD1 ILE 4 HD12 ILE 4 5.175 1.192 5.100 38 3HD1 ILE 4 HD13 ILE 4 4.807 2.241 3.723 39 H PHE 5 H PHE 5 4.359 1.738 7.040 40 HA PHE 5 HA PHE 5 4.179 1.805 10.033 41 1HB PHE 5 HB2 PHE 5 6.497 1.039 10.117 42 2HB PHE 5 HB3 PHE 5 5.395 -0.171 9.492 43 HD1 PHE 5 HD1 PHE 5 5.480 -0.899 7.131 44 HD2 PHE 5 HD2 PHE 5 8.307 1.931 8.740 45 HE1 PHE 5 HE1 PHE 5 7.038 -1.389 5.266 46 HE2 PHE 5 HE2 PHE 5 9.875 1.412 6.888 47 HZ PHE 5 HZ PHE 5 9.255 -0.270 5.169 48 H THR 6 H THR 6 3.571 3.817 8.191 49 HA THR 6 HA THR 6 3.860 6.061 8.034 50 HB THR 6 HB THR 6 6.720 5.987 9.016 51 HG1 THR 6 HG1 THR 6 5.757 5.062 10.654 52 1HG2 THR 6 HG21 THR 6 6.182 8.248 9.773 53 2HG2 THR 6 HG22 THR 6 5.874 8.100 8.034 54 3HG2 THR 6 HG23 THR 6 4.517 8.081 9.188 55 H TYR 7 H TYR 7 3.884 6.466 5.901 56 HA TYR 7 HA TYR 7 5.277 5.224 3.910 57 1HB TYR 7 HB2 TYR 7 3.454 6.753 3.406 58 2HB TYR 7 HB3 TYR 7 4.341 8.103 4.097 59 HD1 TYR 7 HD1 TYR 7 5.105 5.422 1.530 60 HD2 TYR 7 HD2 TYR 7 5.250 9.608 2.565 61 HE1 TYR 7 HE1 TYR 7 6.323 5.905 -0.567 62 HE2 TYR 7 HE2 TYR 7 6.375 10.095 0.416 63 HH TYR 7 HH TYR 7 7.603 7.542 -1.676 64 H GLY 8 H GLY 8 6.318 8.175 5.576 65 1HA GLY 8 HA2 GLY 8 8.690 8.762 4.246 66 2HA GLY 8 HA3 GLY 8 8.422 9.047 5.973 67 H GLU 9 H GLU 9 8.161 6.284 6.807 68 HA GLU 9 HA GLU 9 11.007 5.708 7.082 69 1HB GLU 9 HB2 GLU 9 8.521 4.307 8.133 70 2HB GLU 9 HB3 GLU 9 10.184 3.809 8.455 71 1HG GLU 9 HG2 GLU 9 10.646 6.132 9.362 72 2HG GLU 9 HG3 GLU 9 8.926 6.485 9.229 73 H LEU 10 H LEU 10 8.193 4.268 5.362 74 HA LEU 10 HA LEU 10 9.665 2.044 4.299 75 1HB LEU 10 HB2 LEU 10 7.265 2.066 4.095 76 2HB LEU 10 HB3 LEU 10 7.295 3.577 3.177 77 HG LEU 10 HG LEU 10 8.485 2.445 1.312 78 1HD1 LEU 10 HD11 LEU 10 8.043 -0.096 2.946 79 2HD1 LEU 10 HD12 LEU 10 8.579 -0.035 1.257 80 3HD1 LEU 10 HD13 LEU 10 9.623 0.607 2.527 81 1HD2 LEU 10 HD21 LEU 10 5.921 1.033 2.101 82 2HD2 LEU 10 HD22 LEU 10 6.037 2.633 1.326 83 3HD2 LEU 10 HD23 LEU 10 6.599 1.187 0.472 84 H GLN 11 H GLN 11 9.142 5.371 3.046 85 HA GLN 11 HA GLN 11 10.607 4.939 0.692 86 1HB GLN 11 HB2 GLN 11 8.996 6.852 1.262 87 2HB GLN 11 HB3 GLN 11 10.334 7.631 2.115 88 1HG GLN 11 HG2 GLN 11 10.044 8.491 -0.190 89 2HG GLN 11 HG3 GLN 11 11.623 7.715 0.000 90 1HE2 GLN 11 HE22 GLN 11 12.162 6.162 -1.511 91 2HE2 GLN 11 HE21 GLN 11 10.987 5.250 -2.466 92 H ARG 12 H ARG 12 11.669 6.314 3.826 93 HA ARG 12 HA ARG 12 14.406 6.667 3.368 94 1HB ARG 12 HB2 ARG 12 13.220 7.254 5.449 95 2HB ARG 12 HB3 ARG 12 12.980 5.542 5.796 96 1HG ARG 12 HG2 ARG 12 15.534 5.297 5.877 97 2HG ARG 12 HG3 ARG 12 15.613 7.063 5.740 98 1HD ARG 12 HD2 ARG 12 15.729 6.403 8.098 99 2HD ARG 12 HD3 ARG 12 14.192 7.241 7.785 100 HE ARG 12 HE ARG 12 14.034 4.345 7.484 101 1HH1 ARG 12 HH11 ARG 12 13.909 6.936 9.892 102 2HH1 ARG 12 HH12 ARG 12 12.841 6.064 10.962 103 1HH2 ARG 12 HH21 ARG 12 12.681 3.197 8.897 104 2HH2 ARG 12 HH22 ARG 12 12.040 3.960 10.333 105 H MET 13 H MET 13 12.725 3.634 4.421 106 HA MET 13 HA MET 13 14.989 1.982 4.416 107 1HB MET 13 HB2 MET 13 12.860 1.408 5.431 108 2HB MET 13 HB3 MET 13 12.083 1.240 3.855 109 1HG MET 13 HG2 MET 13 14.504 -0.413 4.626 110 2HG MET 13 HG3 MET 13 12.860 -0.869 5.082 111 1HE MET 13 HE1 MET 13 13.718 -3.470 2.323 112 2HE MET 13 HE2 MET 13 14.834 -2.763 3.516 113 3HE MET 13 HE3 MET 13 13.184 -3.228 4.002 114 H GLN 14 H GLN 14 12.700 2.646 1.690 115 HA GLN 14 HA GLN 14 14.035 1.080 -0.257 116 1HB GLN 14 HB2 GLN 14 12.687 3.772 -0.712 117 2HB GLN 14 HB3 GLN 14 13.195 2.612 -1.942 118 1HG GLN 14 HG2 GLN 14 11.605 0.959 -1.175 119 2HG GLN 14 HG3 GLN 14 11.096 2.013 0.153 120 1HE2 GLN 14 HE22 GLN 14 8.890 1.867 -0.789 121 2HE2 GLN 14 HE21 GLN 14 8.498 2.922 -2.135 122 H GLU 15 H GLU 15 14.691 4.518 0.712 123 HA GLU 15 HA GLU 15 16.837 4.885 -1.111 124 1HB GLU 15 HB2 GLU 15 16.763 6.116 1.675 125 2HB GLU 15 HB3 GLU 15 17.628 6.676 0.246 126 1HG GLU 15 HG2 GLU 15 14.705 6.909 0.890 127 2HG GLU 15 HG3 GLU 15 15.832 8.140 0.354 128 H LYS 16 H LYS 16 16.924 3.564 2.231 129 HA LYS 16 HA LYS 16 19.749 3.146 2.298 130 1HB LYS 16 HB2 LYS 16 17.556 1.509 3.632 131 2HB LYS 16 HB3 LYS 16 19.273 1.426 4.016 132 1HG LYS 16 HG2 LYS 16 17.542 3.915 4.354 133 2HG LYS 16 HG3 LYS 16 17.971 2.769 5.623 134 1HD LYS 16 HD2 LYS 16 20.401 3.284 5.220 135 2HD LYS 16 HD3 LYS 16 19.908 4.531 4.052 136 1HE LYS 16 HE2 LYS 16 18.617 5.693 5.823 137 2HE LYS 16 HE3 LYS 16 19.124 4.464 7.000 138 1HZ LYS 16 HZ1 LYS 16 20.482 6.409 7.109 139 2HZ LYS 16 HZ2 LYS 16 21.385 5.121 6.618 140 3HZ LYS 16 HZ3 LYS 16 20.915 6.263 5.526 141 H GLU 17 H GLU 17 17.116 0.983 1.151 142 HA GLU 17 HA GLU 17 18.805 -1.172 0.394 143 1HB GLU 17 HB2 GLU 17 16.144 -0.309 -0.794 144 2HB GLU 17 HB3 GLU 17 16.975 -1.827 -1.150 145 1HG GLU 17 HG2 GLU 17 16.000 -0.976 1.611 146 2HG GLU 17 HG3 GLU 17 15.233 -2.154 0.546 147 H ARG 18 H ARG 18 17.719 1.649 -1.584 148 HA ARG 18 HA ARG 18 19.178 0.862 -3.915 149 1HB ARG 18 HB2 ARG 18 18.442 3.665 -2.969 150 2HB ARG 18 HB3 ARG 18 19.084 3.242 -4.565 151 1HG ARG 18 HG2 ARG 18 17.108 1.659 -4.853 152 2HG ARG 18 HG3 ARG 18 16.432 2.351 -3.375 153 1HD ARG 18 HD2 ARG 18 16.700 4.665 -4.561 154 2HD ARG 18 HD3 ARG 18 17.001 3.731 -6.019 155 HE ARG 18 HE ARG 18 14.797 3.047 -6.119 156 1HH1 ARG 18 HH21 ARG 18 15.368 4.761 -3.084 157 2HH1 ARG 18 HH22 ARG 18 13.692 4.861 -2.648 158 1HH2 ARG 18 HH11 ARG 18 12.602 3.039 -5.504 159 2HH2 ARG 18 HH12 ARG 18 12.098 3.659 -3.954 160 H ASN 19 H ASN 19 20.145 2.835 -1.093 161 HA ASN 19 HA ASN 19 22.683 3.635 -2.072 162 1HB ASN 19 HB2 ASN 19 21.517 3.375 0.705 163 2HB ASN 19 HB3 ASN 19 23.250 3.618 0.507 164 1HD2 ASN 19 HD22 ASN 19 20.121 5.045 -0.580 165 2HD2 ASN 19 HD21 ASN 19 20.759 6.687 -0.656 166 H LYS 20 H LYS 20 21.864 0.725 -0.062 167 HA LYS 20 HA LYS 20 24.609 -0.221 -0.267 168 1HB LYS 20 HB2 LYS 20 23.886 -2.250 0.745 169 2HB LYS 20 HB3 LYS 20 23.206 -0.851 1.588 170 1HG LYS 20 HG2 LYS 20 21.033 -1.250 0.423 171 2HG LYS 20 HG3 LYS 20 21.723 -2.650 -0.391 172 1HD LYS 20 HD2 LYS 20 20.419 -3.439 1.454 173 2HD LYS 20 HD3 LYS 20 22.124 -3.764 1.770 174 1HE LYS 20 HE2 LYS 20 20.951 -2.984 3.789 175 2HE LYS 20 HE3 LYS 20 22.219 -1.843 3.338 176 1HZ LYS 20 HZ1 LYS 20 20.512 -0.484 2.316 177 2HZ LYS 20 HZ2 LYS 20 19.348 -1.573 2.756 178 3HZ LYS 20 HZ3 LYS 20 20.187 -0.748 3.911 179 H GLY 21 H GLY 21 21.635 -0.828 -2.118 180 1HA GLY 21 HA2 GLY 21 22.444 -3.047 -3.616 181 2HA GLY 21 HA3 GLY 21 21.215 -1.860 -4.086 182 H GLN 22 H GLN 22 22.755 0.449 -4.378 183 HA GLN 22 HA GLN 22 23.963 1.584 -5.925 184 1HB GLN 22 HB2 GLN 22 25.799 -0.846 -5.807 185 2HB GLN 22 HB3 GLN 22 26.228 0.727 -6.484 186 1HG GLN 22 HG2 GLN 22 26.165 1.810 -4.377 187 2HG GLN 22 HG3 GLN 22 25.280 0.491 -3.613 188 1HE2 GLN 22 HE22 GLN 22 26.317 -1.401 -2.928 189 2HE2 GLN 22 HE21 GLN 22 28.077 -1.504 -2.873 Start of MODEL 14 1 1H PHE 1 H1 PHE 1 -1.982 9.659 1.681 2 2H PHE 1 H2 PHE 1 -0.564 10.244 1.063 3 3H PHE 1 H3 PHE 1 -0.727 9.980 2.689 4 HA PHE 1 HA PHE 1 -0.817 7.903 0.645 5 1HB PHE 1 HB2 PHE 1 1.370 7.170 1.622 6 2HB PHE 1 HB3 PHE 1 1.420 8.689 0.742 7 HD1 PHE 1 HD1 PHE 1 2.428 10.581 1.724 8 HD2 PHE 1 HD2 PHE 1 1.178 7.318 4.258 9 HE1 PHE 1 HE1 PHE 1 3.538 11.649 3.662 10 HE2 PHE 1 HE2 PHE 1 2.237 8.427 6.200 11 HZ PHE 1 HZ PHE 1 3.435 10.584 5.904 12 H VAL 2 H VAL 2 -0.821 5.729 1.517 13 HA VAL 2 HA VAL 2 -2.259 5.470 4.062 14 HB VAL 2 HB VAL 2 -3.008 4.098 2.284 15 1HG1 VAL 2 HG11 VAL 2 -0.297 2.736 2.135 16 2HG1 VAL 2 HG12 VAL 2 -1.763 2.298 1.256 17 3HG1 VAL 2 HG13 VAL 2 -0.961 3.831 0.906 18 1HG2 VAL 2 HG21 VAL 2 -1.569 2.417 4.375 19 2HG2 VAL 2 HG22 VAL 2 -3.146 3.212 4.565 20 3HG2 VAL 2 HG23 VAL 2 -2.948 1.910 3.381 21 HA PRO 3 HA PRO 3 1.874 5.337 5.812 22 1HB PRO 3 HB2 PRO 3 1.334 5.375 8.474 23 2HB PRO 3 HB3 PRO 3 0.888 6.732 7.411 24 1HG PRO 3 HG2 PRO 3 -0.898 4.435 8.263 25 2HG PRO 3 HG3 PRO 3 -1.224 6.186 8.432 26 1HD PRO 3 HD2 PRO 3 -2.155 4.759 6.306 27 2HD PRO 3 HD3 PRO 3 -1.566 6.437 6.103 28 H ILE 4 H ILE 4 1.389 2.975 4.650 29 HA ILE 4 HA ILE 4 0.702 0.756 6.083 30 HB ILE 4 HB ILE 4 2.632 -0.347 4.440 31 1HG1 ILE 4 HG12 ILE 4 2.620 0.741 2.302 32 2HG1 ILE 4 HG13 ILE 4 1.693 2.106 2.904 33 1HG2 ILE 4 HG21 ILE 4 0.267 -0.928 4.524 34 2HG2 ILE 4 HG22 ILE 4 -0.152 0.562 3.650 35 3HG2 ILE 4 HG23 ILE 4 0.802 -0.705 2.853 36 1HD1 ILE 4 HD11 ILE 4 4.511 1.423 3.820 37 2HD1 ILE 4 HD12 ILE 4 4.104 2.554 2.518 38 3HD1 ILE 4 HD13 ILE 4 3.601 2.928 4.159 39 H PHE 5 H PHE 5 3.993 1.895 5.777 40 HA PHE 5 HA PHE 5 4.613 0.764 8.463 41 1HB PHE 5 HB2 PHE 5 6.654 0.873 6.221 42 2HB PHE 5 HB3 PHE 5 6.794 0.076 7.779 43 HD1 PHE 5 HD1 PHE 5 4.846 -1.800 8.190 44 HD2 PHE 5 HD2 PHE 5 6.207 -0.451 4.324 45 HE1 PHE 5 HE1 PHE 5 3.929 -3.849 7.144 46 HE2 PHE 5 HE2 PHE 5 5.290 -2.500 3.288 47 HZ PHE 5 HZ PHE 5 4.149 -4.204 4.691 48 H THR 6 H THR 6 3.517 3.232 7.651 49 HA THR 6 HA THR 6 3.757 5.470 7.616 50 HB THR 6 HB THR 6 6.421 5.123 9.019 51 HG1 THR 6 HG1 THR 6 5.193 5.092 10.879 52 1HG2 THR 6 HG21 THR 6 5.791 7.323 10.008 53 2HG2 THR 6 HG22 THR 6 5.879 7.445 8.243 54 3HG2 THR 6 HG23 THR 6 4.300 7.335 9.052 55 H TYR 7 H TYR 7 3.854 5.970 5.497 56 HA TYR 7 HA TYR 7 5.492 5.009 3.617 57 1HB TYR 7 HB2 TYR 7 3.457 6.282 3.146 58 2HB TYR 7 HB3 TYR 7 4.289 7.778 3.617 59 HD1 TYR 7 HD1 TYR 7 5.492 9.039 2.008 60 HD2 TYR 7 HD2 TYR 7 4.514 4.918 1.187 61 HE1 TYR 7 HE1 TYR 7 6.578 9.216 -0.213 62 HE2 TYR 7 HE2 TYR 7 5.604 5.099 -1.024 63 HH TYR 7 HH TYR 7 6.736 6.472 -2.492 64 H GLY 8 H GLY 8 6.223 7.983 5.412 65 1HA GLY 8 HA2 GLY 8 8.502 8.864 4.015 66 2HA GLY 8 HA3 GLY 8 8.250 9.059 5.759 67 H GLU 9 H GLU 9 8.300 6.447 6.687 68 HA GLU 9 HA GLU 9 11.156 5.962 6.789 69 1HB GLU 9 HB2 GLU 9 8.759 4.388 7.865 70 2HB GLU 9 HB3 GLU 9 10.442 3.899 8.028 71 1HG GLU 9 HG2 GLU 9 10.106 4.927 10.027 72 2HG GLU 9 HG3 GLU 9 10.873 6.217 9.102 73 H LEU 10 H LEU 10 8.354 4.294 5.340 74 HA LEU 10 HA LEU 10 9.748 2.127 4.209 75 1HB LEU 10 HB2 LEU 10 7.314 2.330 4.314 76 2HB LEU 10 HB3 LEU 10 7.319 3.604 3.103 77 HG LEU 10 HG LEU 10 6.622 1.288 2.390 78 1HD1 LEU 10 HD11 LEU 10 7.235 3.082 0.777 79 2HD1 LEU 10 HD12 LEU 10 8.878 2.410 0.697 80 3HD1 LEU 10 HD13 LEU 10 7.501 1.434 0.185 81 1HD2 LEU 10 HD21 LEU 10 8.256 -0.389 1.854 82 2HD2 LEU 10 HD22 LEU 10 9.598 0.653 2.349 83 3HD2 LEU 10 HD23 LEU 10 8.455 0.038 3.563 84 H GLN 11 H GLN 11 9.036 5.294 2.674 85 HA GLN 11 HA GLN 11 10.384 4.801 0.259 86 1HB GLN 11 HB2 GLN 11 8.748 6.716 1.030 87 2HB GLN 11 HB3 GLN 11 10.230 7.584 1.443 88 1HG GLN 11 HG2 GLN 11 9.443 6.392 -1.265 89 2HG GLN 11 HG3 GLN 11 9.372 8.099 -0.837 90 1HE2 GLN 11 HE22 GLN 11 11.503 9.114 -0.134 91 2HE2 GLN 11 HE21 GLN 11 12.937 8.626 -1.006 92 H ARG 12 H ARG 12 11.568 6.400 3.294 93 HA ARG 12 HA ARG 12 14.238 6.754 2.364 94 1HB ARG 12 HB2 ARG 12 13.055 6.461 5.136 95 2HB ARG 12 HB3 ARG 12 14.784 6.744 4.856 96 1HG ARG 12 HG2 ARG 12 14.369 8.769 3.612 97 2HG ARG 12 HG3 ARG 12 12.618 8.534 3.664 98 1HD ARG 12 HD2 ARG 12 14.382 8.919 6.120 99 2HD ARG 12 HD3 ARG 12 13.446 10.206 5.323 100 HE ARG 12 HE ARG 12 11.643 8.129 5.840 101 1HH1 ARG 12 HH21 ARG 12 13.650 10.405 7.640 102 2HH1 ARG 12 HH22 ARG 12 12.597 10.492 9.026 103 1HH2 ARG 12 HH11 ARG 12 10.235 8.191 7.721 104 2HH2 ARG 12 HH12 ARG 12 10.620 9.248 9.039 105 H MET 13 H MET 13 12.675 3.842 3.786 106 HA MET 13 HA MET 13 15.104 2.371 3.967 107 1HB MET 13 HB2 MET 13 13.005 1.685 5.083 108 2HB MET 13 HB3 MET 13 12.291 1.294 3.518 109 1HG MET 13 HG2 MET 13 13.125 -0.704 4.656 110 2HG MET 13 HG3 MET 13 13.914 -0.443 3.106 111 1HE MET 13 HE1 MET 13 14.817 1.394 6.536 112 2HE MET 13 HE2 MET 13 14.287 -0.243 7.005 113 3HE MET 13 HE3 MET 13 15.993 0.230 7.183 114 H GLN 14 H GLN 14 12.807 2.888 1.235 115 HA GLN 14 HA GLN 14 14.142 1.164 -0.619 116 1HB GLN 14 HB2 GLN 14 12.985 3.882 -1.357 117 2HB GLN 14 HB3 GLN 14 13.266 2.505 -2.411 118 1HG GLN 14 HG2 GLN 14 11.556 1.194 -1.171 119 2HG GLN 14 HG3 GLN 14 11.211 2.608 -0.173 120 1HE2 GLN 14 HE22 GLN 14 11.283 4.733 -2.146 121 2HE2 GLN 14 HE21 GLN 14 9.958 4.400 -3.240 122 H GLU 15 H GLU 15 14.730 4.619 0.194 123 HA GLU 15 HA GLU 15 16.945 4.980 -1.548 124 1HB GLU 15 HB2 GLU 15 16.414 6.306 1.139 125 2HB GLU 15 HB3 GLU 15 17.570 6.859 -0.075 126 1HG GLU 15 HG2 GLU 15 15.767 7.184 -1.718 127 2HG GLU 15 HG3 GLU 15 14.562 6.597 -0.568 128 H LYS 16 H LYS 16 16.850 3.855 1.842 129 HA LYS 16 HA LYS 16 19.607 3.552 2.280 130 1HB LYS 16 HB2 LYS 16 17.608 3.385 3.891 131 2HB LYS 16 HB3 LYS 16 17.467 1.698 3.400 132 1HG LYS 16 HG2 LYS 16 19.872 3.030 4.726 133 2HG LYS 16 HG3 LYS 16 18.657 2.006 5.497 134 1HD LYS 16 HD2 LYS 16 19.388 0.141 3.846 135 2HD LYS 16 HD3 LYS 16 20.771 1.190 3.468 136 1HE LYS 16 HE2 LYS 16 21.516 -0.340 5.124 137 2HE LYS 16 HE3 LYS 16 21.352 1.229 5.921 138 1HZ LYS 16 HZ1 LYS 16 20.443 -0.574 7.212 139 2HZ LYS 16 HZ2 LYS 16 19.249 0.479 6.793 140 3HZ LYS 16 HZ3 LYS 16 19.387 -0.963 6.008 141 H GLU 17 H GLU 17 17.220 1.088 1.102 142 HA GLU 17 HA GLU 17 19.207 -0.925 0.698 143 1HB GLU 17 HB2 GLU 17 16.443 -0.596 -0.545 144 2HB GLU 17 HB3 GLU 17 17.454 -2.043 -0.686 145 1HG GLU 17 HG2 GLU 17 16.350 -0.893 1.918 146 2HG GLU 17 HG3 GLU 17 15.797 -2.348 1.092 147 H ARG 18 H ARG 18 17.943 1.605 -1.521 148 HA ARG 18 HA ARG 18 19.471 0.695 -3.755 149 1HB ARG 18 HB2 ARG 18 18.339 3.386 -2.945 150 2HB ARG 18 HB3 ARG 18 19.445 3.283 -4.304 151 1HG ARG 18 HG2 ARG 18 16.785 1.821 -4.054 152 2HG ARG 18 HG3 ARG 18 17.155 3.211 -5.082 153 1HD ARG 18 HD2 ARG 18 17.997 0.339 -5.408 154 2HD ARG 18 HD3 ARG 18 17.240 1.407 -6.575 155 HE ARG 18 HE ARG 18 19.369 2.699 -6.680 156 1HH1 ARG 18 HH21 ARG 18 19.568 -0.794 -5.852 157 2HH1 ARG 18 HH22 ARG 18 21.325 -0.750 -5.934 158 1HH2 ARG 18 HH11 ARG 18 21.679 2.562 -6.805 159 2HH2 ARG 18 HH12 ARG 18 22.441 1.021 -6.429 160 H ASN 19 H ASN 19 20.331 2.968 -1.118 161 HA ASN 19 HA ASN 19 22.941 3.542 -2.102 162 1HB ASN 19 HB2 ASN 19 21.679 3.714 0.644 163 2HB ASN 19 HB3 ASN 19 23.420 3.906 0.451 164 1HD2 ASN 19 HD22 ASN 19 20.299 5.222 -0.757 165 2HD2 ASN 19 HD21 ASN 19 20.967 6.814 -1.115 166 H LYS 20 H LYS 20 21.783 0.938 0.048 167 HA LYS 20 HA LYS 20 24.291 -0.338 0.494 168 1HB LYS 20 HB2 LYS 20 22.163 -0.811 1.689 169 2HB LYS 20 HB3 LYS 20 21.521 -1.574 0.226 170 1HG LYS 20 HG2 LYS 20 23.497 -3.189 0.326 171 2HG LYS 20 HG3 LYS 20 23.858 -2.534 1.923 172 1HD LYS 20 HD2 LYS 20 21.247 -3.860 1.007 173 2HD LYS 20 HD3 LYS 20 22.491 -4.626 1.997 174 1HE LYS 20 HE2 LYS 20 20.768 -2.235 2.819 175 2HE LYS 20 HE3 LYS 20 20.570 -3.905 3.351 176 1HZ LYS 20 HZ1 LYS 20 22.749 -3.795 4.335 177 2HZ LYS 20 HZ2 LYS 20 22.914 -2.220 3.875 178 3HZ LYS 20 HZ3 LYS 20 21.749 -2.645 4.962 179 H GLY 21 H GLY 21 21.824 -0.807 -2.081 180 1HA GLY 21 HA2 GLY 21 23.345 -2.801 -3.526 181 2HA GLY 21 HA3 GLY 21 21.858 -1.988 -4.028 182 H GLN 22 H GLN 22 25.257 -1.062 -3.369 183 HA GLN 22 HA GLN 22 25.529 0.057 -6.128 184 1HB GLN 22 HB2 GLN 22 26.515 1.297 -3.520 185 2HB GLN 22 HB3 GLN 22 27.019 1.807 -5.142 186 1HG GLN 22 HG2 GLN 22 24.671 2.349 -5.721 187 2HG GLN 22 HG3 GLN 22 24.159 1.884 -4.092 188 1HE2 GLN 22 HE22 GLN 22 25.378 3.034 -2.254 189 2HE2 GLN 22 HE21 GLN 22 25.675 4.758 -2.496 Start of MODEL 15 1 1H PHE 1 H1 PHE 1 -1.481 8.818 -0.727 2 2H PHE 1 H2 PHE 1 -1.530 9.082 0.907 3 3H PHE 1 H3 PHE 1 -2.802 8.363 0.159 4 HA PHE 1 HA PHE 1 -1.534 6.455 -0.356 5 1HB PHE 1 HB2 PHE 1 0.756 6.218 0.529 6 2HB PHE 1 HB3 PHE 1 0.622 7.485 -0.681 7 HD1 PHE 1 HD1 PHE 1 1.045 6.811 2.958 8 HD2 PHE 1 HD2 PHE 1 1.112 9.801 -0.143 9 HE1 PHE 1 HE1 PHE 1 2.052 8.434 4.543 10 HE2 PHE 1 HE2 PHE 1 2.168 11.400 1.430 11 HZ PHE 1 HZ PHE 1 2.639 10.718 3.775 12 H VAL 2 H VAL 2 -1.458 4.674 1.139 13 HA VAL 2 HA VAL 2 -2.793 5.138 3.682 14 HB VAL 2 HB VAL 2 -1.497 2.626 2.549 15 1HG1 VAL 2 HG11 VAL 2 -1.771 2.547 5.023 16 2HG1 VAL 2 HG12 VAL 2 -3.477 3.003 4.844 17 3HG1 VAL 2 HG13 VAL 2 -2.894 1.450 4.213 18 1HG2 VAL 2 HG21 VAL 2 -4.401 3.569 2.526 19 2HG2 VAL 2 HG22 VAL 2 -3.349 3.389 1.106 20 3HG2 VAL 2 HG23 VAL 2 -3.837 1.963 2.026 21 HA PRO 3 HA PRO 3 1.322 6.075 5.275 22 1HB PRO 3 HB2 PRO 3 0.733 6.982 7.770 23 2HB PRO 3 HB3 PRO 3 0.161 7.820 6.306 24 1HG PRO 3 HG2 PRO 3 -1.369 5.782 7.953 25 2HG PRO 3 HG3 PRO 3 -1.892 7.436 7.512 26 1HD PRO 3 HD2 PRO 3 -2.627 5.265 6.036 27 2HD PRO 3 HD3 PRO 3 -2.223 6.823 5.251 28 H ILE 4 H ILE 4 0.971 3.356 5.073 29 HA ILE 4 HA ILE 4 0.780 1.808 7.352 30 HB ILE 4 HB ILE 4 2.638 0.335 5.962 31 1HG1 ILE 4 HG12 ILE 4 2.167 0.483 3.593 32 2HG1 ILE 4 HG13 ILE 4 1.211 1.944 3.804 33 1HG2 ILE 4 HG21 ILE 4 0.401 -0.363 6.635 34 2HG2 ILE 4 HG22 ILE 4 -0.318 0.616 5.338 35 3HG2 ILE 4 HG23 ILE 4 0.707 -0.778 4.944 36 1HD1 ILE 4 HD11 ILE 4 3.523 2.236 2.859 37 2HD1 ILE 4 HD12 ILE 4 3.198 3.241 4.266 38 3HD1 ILE 4 HD13 ILE 4 4.186 1.753 4.427 39 H PHE 5 H PHE 5 3.795 3.033 6.044 40 HA PHE 5 HA PHE 5 4.936 3.161 8.792 41 1HB PHE 5 HB2 PHE 5 6.642 2.669 6.340 42 2HB PHE 5 HB3 PHE 5 7.064 2.493 8.046 43 HD1 PHE 5 HD1 PHE 5 5.332 0.744 9.325 44 HD2 PHE 5 HD2 PHE 5 6.478 0.624 5.164 45 HE1 PHE 5 HE1 PHE 5 4.687 -1.643 9.205 46 HE2 PHE 5 HE2 PHE 5 5.826 -1.752 5.054 47 HZ PHE 5 HZ PHE 5 4.926 -2.895 7.066 48 H THR 6 H THR 6 3.267 4.958 7.563 49 HA THR 6 HA THR 6 3.032 7.145 7.076 50 HB THR 6 HB THR 6 5.907 7.658 7.903 51 HG1 THR 6 HG1 THR 6 5.347 6.376 9.535 52 1HG2 THR 6 HG21 THR 6 3.260 9.075 8.439 53 2HG2 THR 6 HG22 THR 6 4.846 9.580 9.060 54 3HG2 THR 6 HG23 THR 6 4.524 9.630 7.320 55 H TYR 7 H TYR 7 4.588 5.279 5.133 56 HA TYR 7 HA TYR 7 5.436 5.219 3.091 57 1HB TYR 7 HB2 TYR 7 3.759 6.791 2.349 58 2HB TYR 7 HB3 TYR 7 4.752 8.170 2.830 59 HD1 TYR 7 HD1 TYR 7 4.486 5.296 0.485 60 HD2 TYR 7 HD2 TYR 7 6.651 8.883 1.500 61 HE1 TYR 7 HE1 TYR 7 5.890 5.013 -1.530 62 HE2 TYR 7 HE2 TYR 7 8.059 8.600 -0.527 63 HH TYR 7 HH TYR 7 7.587 5.917 -2.820 64 H GLY 8 H GLY 8 6.482 8.236 4.602 65 1HA GLY 8 HA2 GLY 8 8.991 8.628 3.580 66 2HA GLY 8 HA3 GLY 8 8.571 8.987 5.262 67 H GLU 9 H GLU 9 8.236 6.409 6.345 68 HA GLU 9 HA GLU 9 10.982 5.722 6.845 69 1HB GLU 9 HB2 GLU 9 8.501 4.093 7.423 70 2HB GLU 9 HB3 GLU 9 10.062 3.923 8.208 71 1HG GLU 9 HG2 GLU 9 9.818 6.050 9.349 72 2HG GLU 9 HG3 GLU 9 8.398 6.491 8.399 73 H LEU 10 H LEU 10 8.446 4.427 4.713 74 HA LEU 10 HA LEU 10 9.828 1.977 4.062 75 1HB LEU 10 HB2 LEU 10 7.377 2.310 3.927 76 2HB LEU 10 HB3 LEU 10 7.572 3.435 2.598 77 HG LEU 10 HG LEU 10 6.845 1.074 2.081 78 1HD1 LEU 10 HD11 LEU 10 9.266 2.065 0.539 79 2HD1 LEU 10 HD12 LEU 10 7.997 0.973 -0.032 80 3HD1 LEU 10 HD13 LEU 10 7.604 2.656 0.354 81 1HD2 LEU 10 HD21 LEU 10 8.505 -0.110 3.521 82 2HD2 LEU 10 HD22 LEU 10 8.474 -0.680 1.844 83 3HD2 LEU 10 HD23 LEU 10 9.791 0.370 2.386 84 H GLN 11 H GLN 11 9.427 5.209 2.520 85 HA GLN 11 HA GLN 11 11.116 4.578 0.324 86 1HB GLN 11 HB2 GLN 11 9.543 6.469 0.338 87 2HB GLN 11 HB3 GLN 11 10.534 7.322 1.529 88 1HG GLN 11 HG2 GLN 11 10.873 8.088 -0.862 89 2HG GLN 11 HG3 GLN 11 12.355 7.564 -0.053 90 1HE2 GLN 11 HE22 GLN 11 9.670 5.992 -1.953 91 2HE2 GLN 11 HE21 GLN 11 10.761 4.836 -2.725 92 H ARG 12 H ARG 12 11.860 5.944 3.552 93 HA ARG 12 HA ARG 12 14.634 6.361 3.152 94 1HB ARG 12 HB2 ARG 12 13.392 7.170 5.099 95 2HB ARG 12 HB3 ARG 12 13.125 5.506 5.644 96 1HG ARG 12 HG2 ARG 12 15.531 5.184 5.983 97 2HG ARG 12 HG3 ARG 12 15.874 6.780 5.302 98 1HD ARG 12 HD2 ARG 12 15.909 6.766 7.823 99 2HD ARG 12 HD3 ARG 12 14.763 7.903 7.119 100 HE ARG 12 HE ARG 12 13.037 6.826 8.108 101 1HH1 ARG 12 HH11 ARG 12 15.750 4.576 8.014 102 2HH1 ARG 12 HH12 ARG 12 14.938 3.329 8.923 103 1HH2 ARG 12 HH21 ARG 12 11.964 5.225 9.308 104 2HH2 ARG 12 HH22 ARG 12 12.741 3.709 9.669 105 H MET 13 H MET 13 12.857 3.400 4.222 106 HA MET 13 HA MET 13 15.114 1.718 4.436 107 1HB MET 13 HB2 MET 13 12.922 1.197 5.322 108 2HB MET 13 HB3 MET 13 12.234 1.031 3.705 109 1HG MET 13 HG2 MET 13 14.553 -0.690 4.629 110 2HG MET 13 HG3 MET 13 12.870 -1.077 5.005 111 1HE MET 13 HE1 MET 13 13.597 -3.781 2.368 112 2HE MET 13 HE2 MET 13 14.759 -3.148 3.559 113 3HE MET 13 HE3 MET 13 13.059 -3.424 4.021 114 H GLN 14 H GLN 14 12.983 2.289 1.569 115 HA GLN 14 HA GLN 14 14.447 0.696 -0.264 116 1HB GLN 14 HB2 GLN 14 12.946 3.301 -0.755 117 2HB GLN 14 HB3 GLN 14 13.616 2.253 -2.017 118 1HG GLN 14 HG2 GLN 14 12.229 0.381 -1.282 119 2HG GLN 14 HG3 GLN 14 11.499 1.390 -0.024 120 1HE2 GLN 14 HE22 GLN 14 9.748 0.260 -1.747 121 2HE2 GLN 14 HE21 GLN 14 9.167 1.435 -2.914 122 H GLU 15 H GLU 15 14.945 4.143 0.620 123 HA GLU 15 HA GLU 15 17.122 4.646 -1.084 124 1HB GLU 15 HB2 GLU 15 15.814 6.339 0.216 125 2HB GLU 15 HB3 GLU 15 16.658 5.829 1.686 126 1HG GLU 15 HG2 GLU 15 18.813 6.505 0.741 127 2HG GLU 15 HG3 GLU 15 18.049 6.887 -0.810 128 H LYS 16 H LYS 16 17.130 3.390 2.278 129 HA LYS 16 HA LYS 16 19.916 3.085 2.555 130 1HB LYS 16 HB2 LYS 16 18.200 2.892 4.322 131 2HB LYS 16 HB3 LYS 16 17.716 1.311 3.719 132 1HG LYS 16 HG2 LYS 16 20.575 1.910 4.587 133 2HG LYS 16 HG3 LYS 16 19.294 1.494 5.731 134 1HD LYS 16 HD2 LYS 16 18.874 -0.646 4.456 135 2HD LYS 16 HD3 LYS 16 20.272 -0.272 3.441 136 1HE LYS 16 HE2 LYS 16 20.981 -1.799 5.148 137 2HE LYS 16 HE3 LYS 16 21.725 -0.221 5.469 138 1HZ LYS 16 HZ1 LYS 16 19.330 -1.288 6.798 139 2HZ LYS 16 HZ2 LYS 16 20.849 -1.257 7.438 140 3HZ LYS 16 HZ3 LYS 16 20.058 0.154 7.132 141 H GLU 17 H GLU 17 17.492 0.740 1.250 142 HA GLU 17 HA GLU 17 19.346 -1.297 0.551 143 1HB GLU 17 HB2 GLU 17 16.750 -0.529 -0.850 144 2HB GLU 17 HB3 GLU 17 17.688 -1.989 -1.160 145 1HG GLU 17 HG2 GLU 17 17.405 -2.699 1.196 146 2HG GLU 17 HG3 GLU 17 16.409 -1.273 1.514 147 H ARG 18 H ARG 18 18.170 1.454 -1.468 148 HA ARG 18 HA ARG 18 19.706 0.871 -3.771 149 1HB ARG 18 HB2 ARG 18 18.790 3.562 -2.662 150 2HB ARG 18 HB3 ARG 18 19.556 3.329 -4.238 151 1HG ARG 18 HG2 ARG 18 17.728 1.712 -4.848 152 2HG ARG 18 HG3 ARG 18 16.886 2.153 -3.358 153 1HD ARG 18 HD2 ARG 18 17.682 4.053 -5.608 154 2HD ARG 18 HD3 ARG 18 16.064 3.427 -5.350 155 HE ARG 18 HE ARG 18 17.507 5.492 -3.802 156 1HH1 ARG 18 HH21 ARG 18 14.582 3.440 -3.898 157 2HH1 ARG 18 HH22 ARG 18 13.665 4.582 -2.921 158 1HH2 ARG 18 HH11 ARG 18 16.203 6.909 -2.504 159 2HH2 ARG 18 HH12 ARG 18 14.550 6.420 -2.145 160 H ASN 19 H ASN 19 20.545 2.899 -0.944 161 HA ASN 19 HA ASN 19 23.114 3.717 -1.816 162 1HB ASN 19 HB2 ASN 19 22.170 3.205 1.042 163 2HB ASN 19 HB3 ASN 19 23.607 4.112 0.572 164 1HD2 ASN 19 HD22 ASN 19 22.098 5.448 -1.766 165 2HD2 ASN 19 HD21 ASN 19 21.141 6.658 -0.933 166 H LYS 20 H LYS 20 22.196 0.857 0.191 167 HA LYS 20 HA LYS 20 24.901 -0.140 0.308 168 1HB LYS 20 HB2 LYS 20 22.214 -1.544 0.592 169 2HB LYS 20 HB3 LYS 20 23.773 -2.321 0.888 170 1HG LYS 20 HG2 LYS 20 22.700 0.095 2.416 171 2HG LYS 20 HG3 LYS 20 22.695 -1.590 2.957 172 1HD LYS 20 HD2 LYS 20 25.265 -1.551 2.683 173 2HD LYS 20 HD3 LYS 20 25.116 0.199 2.455 174 1HE LYS 20 HE2 LYS 20 25.684 -0.172 4.737 175 2HE LYS 20 HE3 LYS 20 24.006 0.382 4.688 176 1HZ LYS 20 HZ1 LYS 20 23.339 -1.922 4.935 177 2HZ LYS 20 HZ2 LYS 20 24.913 -2.408 4.957 178 3HZ LYS 20 HZ3 LYS 20 24.326 -1.467 6.174 179 H GLY 21 H GLY 21 22.287 -0.605 -2.059 180 1HA GLY 21 HA2 GLY 21 23.510 -2.555 -3.704 181 2HA GLY 21 HA3 GLY 21 22.391 -1.287 -4.239 182 H GLN 22 H GLN 22 23.717 1.044 -3.839 183 HA GLN 22 HA GLN 22 26.480 0.962 -4.677 184 1HB GLN 22 HB2 GLN 22 25.283 0.515 -6.839 185 2HB GLN 22 HB3 GLN 22 24.425 2.053 -6.659 186 1HG GLN 22 HG2 GLN 22 26.574 3.275 -6.735 187 2HG GLN 22 HG3 GLN 22 27.464 1.746 -6.804 188 1HE2 GLN 22 HE22 GLN 22 26.587 0.220 -8.693 189 2HE2 GLN 22 HE21 GLN 22 26.402 1.055 -10.227 Start of MODEL 16 1 1H PHE 1 H1 PHE 1 -0.319 8.526 -1.783 2 2H PHE 1 H2 PHE 1 -1.066 8.883 -0.349 3 3H PHE 1 H3 PHE 1 -1.690 7.721 -1.325 4 HA PHE 1 HA PHE 1 0.169 6.322 -0.997 5 1HB PHE 1 HB2 PHE 1 1.920 6.911 0.583 6 2HB PHE 1 HB3 PHE 1 1.857 8.078 -0.728 7 HD1 PHE 1 HD1 PHE 1 1.184 10.411 -0.317 8 HD2 PHE 1 HD2 PHE 1 1.195 7.522 2.885 9 HE1 PHE 1 HE1 PHE 1 0.912 12.236 1.339 10 HE2 PHE 1 HE2 PHE 1 0.919 9.355 4.533 11 HZ PHE 1 HZ PHE 1 0.778 11.711 3.764 12 H VAL 2 H VAL 2 0.465 4.978 0.996 13 HA VAL 2 HA VAL 2 -1.689 5.388 3.007 14 HB VAL 2 HB VAL 2 -2.443 3.671 1.640 15 1HG1 VAL 2 HG11 VAL 2 -0.476 2.993 0.394 16 2HG1 VAL 2 HG12 VAL 2 0.250 2.267 1.838 17 3HG1 VAL 2 HG13 VAL 2 -1.232 1.590 1.152 18 1HG2 VAL 2 HG21 VAL 2 -2.701 3.338 4.057 19 2HG2 VAL 2 HG22 VAL 2 -2.587 1.798 3.190 20 3HG2 VAL 2 HG23 VAL 2 -1.195 2.400 4.107 21 HA PRO 3 HA PRO 3 2.218 5.486 5.207 22 1HB PRO 3 HB2 PRO 3 1.431 6.601 7.575 23 2HB PRO 3 HB3 PRO 3 1.374 7.501 6.038 24 1HG PRO 3 HG2 PRO 3 -0.888 5.982 7.370 25 2HG PRO 3 HG3 PRO 3 -0.901 7.682 6.812 26 1HD PRO 3 HD2 PRO 3 -1.868 5.643 5.279 27 2HD PRO 3 HD3 PRO 3 -0.998 7.024 4.542 28 H ILE 4 H ILE 4 1.721 3.000 4.924 29 HA ILE 4 HA ILE 4 0.419 1.461 6.718 30 HB ILE 4 HB ILE 4 1.932 -0.388 6.096 31 1HG1 ILE 4 HG12 ILE 4 4.096 0.597 5.775 32 2HG1 ILE 4 HG13 ILE 4 3.563 -0.224 4.330 33 1HG2 ILE 4 HG21 ILE 4 1.243 -0.462 3.730 34 2HG2 ILE 4 HG22 ILE 4 -0.047 0.146 4.780 35 3HG2 ILE 4 HG23 ILE 4 0.889 1.274 3.783 36 1HD1 ILE 4 HD11 ILE 4 4.725 1.743 3.703 37 2HD1 ILE 4 HD12 ILE 4 3.027 2.017 3.307 38 3HD1 ILE 4 HD13 ILE 4 3.775 2.783 4.741 39 H PHE 5 H PHE 5 3.822 2.214 7.037 40 HA PHE 5 HA PHE 5 3.508 2.092 9.990 41 1HB PHE 5 HB2 PHE 5 5.809 1.141 10.225 42 2HB PHE 5 HB3 PHE 5 4.571 0.022 9.692 43 HD1 PHE 5 HD1 PHE 5 7.570 1.937 8.605 44 HD2 PHE 5 HD2 PHE 5 4.772 -1.194 7.639 45 HE1 PHE 5 HE1 PHE 5 8.960 1.295 6.658 46 HE2 PHE 5 HE2 PHE 5 6.174 -1.845 5.702 47 HZ PHE 5 HZ PHE 5 8.245 -0.580 5.182 48 H THR 6 H THR 6 3.181 4.086 8.159 49 HA THR 6 HA THR 6 3.693 6.308 7.975 50 HB THR 6 HB THR 6 6.487 6.005 9.083 51 HG1 THR 6 HG1 THR 6 5.364 5.200 10.694 52 1HG2 THR 6 HG21 THR 6 6.113 8.318 9.776 53 2HG2 THR 6 HG22 THR 6 5.868 8.160 8.027 54 3HG2 THR 6 HG23 THR 6 4.466 8.281 9.119 55 H TYR 7 H TYR 7 3.834 6.653 5.847 56 HA TYR 7 HA TYR 7 5.183 5.056 4.039 57 1HB TYR 7 HB2 TYR 7 3.292 6.651 3.585 58 2HB TYR 7 HB3 TYR 7 4.445 7.980 3.615 59 HD1 TYR 7 HD1 TYR 7 5.512 8.581 1.552 60 HD2 TYR 7 HD2 TYR 7 3.700 4.686 1.962 61 HE1 TYR 7 HE1 TYR 7 5.985 8.110 -0.829 62 HE2 TYR 7 HE2 TYR 7 4.180 4.220 -0.428 63 HH TYR 7 HH TYR 7 6.136 6.411 -2.424 64 H GLY 8 H GLY 8 6.299 8.036 5.548 65 1HA GLY 8 HA2 GLY 8 8.711 8.518 4.190 66 2HA GLY 8 HA3 GLY 8 8.391 8.902 5.888 67 H GLU 9 H GLU 9 8.024 6.168 6.856 68 HA GLU 9 HA GLU 9 10.824 5.507 7.284 69 1HB GLU 9 HB2 GLU 9 8.235 4.106 8.051 70 2HB GLU 9 HB3 GLU 9 9.848 3.506 8.451 71 1HG GLU 9 HG2 GLU 9 10.357 5.521 9.729 72 2HG GLU 9 HG3 GLU 9 8.815 6.257 9.271 73 H LEU 10 H LEU 10 8.100 4.124 5.398 74 HA LEU 10 HA LEU 10 9.580 1.989 4.264 75 1HB LEU 10 HB2 LEU 10 7.206 2.015 3.988 76 2HB LEU 10 HB3 LEU 10 7.248 3.556 3.134 77 HG LEU 10 HG LEU 10 8.497 2.505 1.254 78 1HD1 LEU 10 HD11 LEU 10 8.029 -0.093 2.787 79 2HD1 LEU 10 HD12 LEU 10 8.594 0.030 1.111 80 3HD1 LEU 10 HD13 LEU 10 9.612 0.631 2.422 81 1HD2 LEU 10 HD21 LEU 10 6.632 1.321 0.308 82 2HD2 LEU 10 HD22 LEU 10 5.939 1.008 1.909 83 3HD2 LEU 10 HD23 LEU 10 6.002 2.669 1.272 84 H GLN 11 H GLN 11 9.221 5.411 3.151 85 HA GLN 11 HA GLN 11 10.861 5.036 0.858 86 1HB GLN 11 HB2 GLN 11 10.587 7.641 2.415 87 2HB GLN 11 HB3 GLN 11 11.145 7.422 0.759 88 1HG GLN 11 HG2 GLN 11 8.360 7.444 1.817 89 2HG GLN 11 HG3 GLN 11 9.026 8.142 0.358 90 1HE2 GLN 11 HE22 GLN 11 7.515 5.339 1.776 91 2HE2 GLN 11 HE21 GLN 11 7.334 4.429 0.272 92 H ARG 12 H ARG 12 11.740 5.904 4.209 93 HA ARG 12 HA ARG 12 14.489 6.343 3.706 94 1HB ARG 12 HB2 ARG 12 13.326 6.955 5.769 95 2HB ARG 12 HB3 ARG 12 13.191 5.247 6.233 96 1HG ARG 12 HG2 ARG 12 15.652 5.038 6.265 97 2HG ARG 12 HG3 ARG 12 15.820 6.717 5.725 98 1HD ARG 12 HD2 ARG 12 14.552 5.823 8.365 99 2HD ARG 12 HD3 ARG 12 16.187 6.419 8.158 100 HE ARG 12 HE ARG 12 15.486 8.582 7.757 101 1HH1 ARG 12 HH21 ARG 12 12.659 6.509 8.233 102 2HH1 ARG 12 HH22 ARG 12 11.587 7.829 8.608 103 1HH2 ARG 12 HH11 ARG 12 14.096 10.300 8.205 104 2HH2 ARG 12 HH12 ARG 12 12.415 10.023 8.568 105 H MET 13 H MET 13 12.846 3.252 4.775 106 HA MET 13 HA MET 13 15.353 1.840 4.631 107 1HB MET 13 HB2 MET 13 14.157 -0.192 4.914 108 2HB MET 13 HB3 MET 13 13.541 1.037 6.027 109 1HG MET 13 HG2 MET 13 11.660 1.445 4.477 110 2HG MET 13 HG3 MET 13 12.194 0.115 3.446 111 1HE MET 13 HE1 MET 13 13.064 -2.114 5.633 112 2HE MET 13 HE2 MET 13 11.523 -2.991 5.730 113 3HE MET 13 HE3 MET 13 12.116 -2.419 4.153 114 H GLN 14 H GLN 14 12.785 2.415 2.228 115 HA GLN 14 HA GLN 14 13.755 0.743 0.147 116 1HB GLN 14 HB2 GLN 14 11.566 1.833 0.163 117 2HB GLN 14 HB3 GLN 14 12.335 3.420 0.186 118 1HG GLN 14 HG2 GLN 14 13.205 3.015 -2.125 119 2HG GLN 14 HG3 GLN 14 12.355 1.456 -2.126 120 1HE2 GLN 14 HE22 GLN 14 11.749 4.947 -1.381 121 2HE2 GLN 14 HE21 GLN 14 10.086 4.958 -1.939 122 H GLU 15 H GLU 15 14.541 4.161 1.005 123 HA GLU 15 HA GLU 15 16.402 4.586 -1.072 124 1HB GLU 15 HB2 GLU 15 15.499 6.425 0.221 125 2HB GLU 15 HB3 GLU 15 16.225 5.815 1.712 126 1HG GLU 15 HG2 GLU 15 17.484 7.717 0.757 127 2HG GLU 15 HG3 GLU 15 18.472 6.262 0.899 128 H LYS 16 H LYS 16 16.941 3.387 2.299 129 HA LYS 16 HA LYS 16 19.753 2.982 1.996 130 1HB LYS 16 HB2 LYS 16 17.739 1.437 3.677 131 2HB LYS 16 HB3 LYS 16 19.489 1.311 3.841 132 1HG LYS 16 HG2 LYS 16 17.899 3.888 4.259 133 2HG LYS 16 HG3 LYS 16 18.409 2.775 5.532 134 1HD LYS 16 HD2 LYS 16 20.802 3.137 4.850 135 2HD LYS 16 HD3 LYS 16 20.252 4.360 3.683 136 1HE LYS 16 HE2 LYS 16 19.224 5.667 5.525 137 2HE LYS 16 HE3 LYS 16 19.787 4.459 6.697 138 1HZ LYS 16 HZ1 LYS 16 21.254 6.322 6.571 139 2HZ LYS 16 HZ2 LYS 16 22.027 4.964 6.049 140 3HZ LYS 16 HZ3 LYS 16 21.505 6.087 4.961 141 H GLU 17 H GLU 17 17.047 0.735 1.402 142 HA GLU 17 HA GLU 17 18.479 -1.539 0.692 143 1HB GLU 17 HB2 GLU 17 16.015 -1.386 1.125 144 2HB GLU 17 HB3 GLU 17 15.813 -0.567 -0.424 145 1HG GLU 17 HG2 GLU 17 15.183 -2.869 -0.674 146 2HG GLU 17 HG3 GLU 17 16.656 -2.593 -1.606 147 H ARG 18 H ARG 18 17.322 1.134 -1.419 148 HA ARG 18 HA ARG 18 18.530 0.091 -3.795 149 1HB ARG 18 HB2 ARG 18 16.804 1.767 -3.987 150 2HB ARG 18 HB3 ARG 18 17.703 2.902 -2.973 151 1HG ARG 18 HG2 ARG 18 17.846 3.566 -5.311 152 2HG ARG 18 HG3 ARG 18 19.439 3.156 -4.696 153 1HD ARG 18 HD2 ARG 18 19.065 0.801 -5.790 154 2HD ARG 18 HD3 ARG 18 17.658 1.530 -6.547 155 HE ARG 18 HE ARG 18 19.029 2.765 -7.940 156 1HH1 ARG 18 HH21 ARG 18 21.064 1.305 -5.375 157 2HH1 ARG 18 HH22 ARG 18 22.519 1.420 -6.315 158 1HH2 ARG 18 HH11 ARG 18 20.994 3.038 -9.071 159 2HH2 ARG 18 HH12 ARG 18 22.498 2.505 -8.363 160 H ASN 19 H ASN 19 19.609 2.557 -1.441 161 HA ASN 19 HA ASN 19 21.848 3.468 -2.740 162 1HB ASN 19 HB2 ASN 19 20.865 4.515 -0.722 163 2HB ASN 19 HB3 ASN 19 21.515 3.200 0.273 164 1HD2 ASN 19 HD22 ASN 19 22.375 5.966 -1.825 165 2HD2 ASN 19 HD21 ASN 19 24.007 6.139 -1.200 166 H LYS 20 H LYS 20 21.736 0.674 -0.454 167 HA LYS 20 HA LYS 20 24.530 0.238 -0.431 168 1HB LYS 20 HB2 LYS 20 24.049 -2.088 0.167 169 2HB LYS 20 HB3 LYS 20 23.178 -0.912 1.157 170 1HG LYS 20 HG2 LYS 20 21.101 -1.411 0.183 171 2HG LYS 20 HG3 LYS 20 21.827 -2.146 -1.258 172 1HD LYS 20 HD2 LYS 20 22.606 -4.063 0.023 173 2HD LYS 20 HD3 LYS 20 22.094 -3.316 1.547 174 1HE LYS 20 HE2 LYS 20 20.512 -5.074 0.710 175 2HE LYS 20 HE3 LYS 20 19.761 -3.494 0.954 176 1HZ LYS 20 HZ1 LYS 20 19.889 -3.100 -1.377 177 2HZ LYS 20 HZ2 LYS 20 20.669 -4.535 -1.641 178 3HZ LYS 20 HZ3 LYS 20 19.108 -4.523 -1.099 179 H GLY 21 H GLY 21 22.308 -0.332 -3.088 180 1HA GLY 21 HA2 GLY 21 24.051 -2.126 -4.598 181 2HA GLY 21 HA3 GLY 21 22.639 -1.224 -5.169 182 H GLN 22 H GLN 22 25.945 -0.629 -3.938 183 HA GLN 22 HA GLN 22 26.433 1.355 -6.122 184 1HB GLN 22 HB2 GLN 22 27.622 2.785 -4.560 185 2HB GLN 22 HB3 GLN 22 25.944 2.566 -4.052 186 1HG GLN 22 HG2 GLN 22 26.759 0.797 -2.406 187 2HG GLN 22 HG3 GLN 22 28.415 1.213 -2.865 188 1HE2 GLN 22 HE22 GLN 22 25.356 2.750 -1.757 189 2HE2 GLN 22 HE21 GLN 22 26.111 3.862 -0.639 Start of MODEL 17 1 1H PHE 1 H1 PHE 1 2.943 7.232 0.199 2 2H PHE 1 H2 PHE 1 2.452 8.443 -0.803 3 3H PHE 1 H3 PHE 1 1.544 7.079 -0.660 4 HA PHE 1 HA PHE 1 2.067 9.086 1.409 5 1HB PHE 1 HB2 PHE 1 0.455 9.947 -0.142 6 2HB PHE 1 HB3 PHE 1 -0.417 8.416 -0.193 7 HD1 PHE 1 HD1 PHE 1 -2.239 8.013 1.276 8 HD2 PHE 1 HD2 PHE 1 0.585 11.138 2.207 9 HE1 PHE 1 HE1 PHE 1 -3.517 8.561 3.324 10 HE2 PHE 1 HE2 PHE 1 -0.694 11.673 4.262 11 HZ PHE 1 HZ PHE 1 -2.750 10.392 4.821 12 H VAL 2 H VAL 2 0.409 6.067 0.635 13 HA VAL 2 HA VAL 2 -1.066 5.488 2.744 14 HB VAL 2 HB VAL 2 -0.966 4.079 0.889 15 1HG1 VAL 2 HG11 VAL 2 1.761 3.010 1.727 16 2HG1 VAL 2 HG12 VAL 2 0.768 2.486 0.366 17 3HG1 VAL 2 HG13 VAL 2 1.466 4.109 0.367 18 1HG2 VAL 2 HG21 VAL 2 -1.798 3.112 3.000 19 2HG2 VAL 2 HG22 VAL 2 -1.103 1.886 1.926 20 3HG2 VAL 2 HG23 VAL 2 -0.186 2.447 3.335 21 HA PRO 3 HA PRO 3 2.074 5.837 5.915 22 1HB PRO 3 HB2 PRO 3 0.574 6.451 8.087 23 2HB PRO 3 HB3 PRO 3 0.704 7.538 6.681 24 1HG PRO 3 HG2 PRO 3 -1.486 5.504 7.202 25 2HG PRO 3 HG3 PRO 3 -1.683 7.252 6.869 26 1HD PRO 3 HD2 PRO 3 -1.853 5.392 4.889 27 2HD PRO 3 HD3 PRO 3 -1.067 6.975 4.598 28 H ILE 4 H ILE 4 1.915 3.266 5.176 29 HA ILE 4 HA ILE 4 0.849 1.463 7.060 30 HB ILE 4 HB ILE 4 3.051 0.067 6.103 31 1HG1 ILE 4 HG12 ILE 4 3.204 0.424 3.719 32 2HG1 ILE 4 HG13 ILE 4 2.181 1.846 3.788 33 1HG2 ILE 4 HG21 ILE 4 1.447 -0.932 4.538 34 2HG2 ILE 4 HG22 ILE 4 0.735 -0.678 6.137 35 3HG2 ILE 4 HG23 ILE 4 0.334 0.427 4.802 36 1HD1 ILE 4 HD11 ILE 4 4.936 1.555 5.087 37 2HD1 ILE 4 HD12 ILE 4 4.601 2.345 3.533 38 3HD1 ILE 4 HD13 ILE 4 3.988 3.065 5.010 39 H PHE 5 H PHE 5 4.202 2.532 6.853 40 HA PHE 5 HA PHE 5 4.409 2.360 9.836 41 1HB PHE 5 HB2 PHE 5 6.794 2.122 8.003 42 2HB PHE 5 HB3 PHE 5 6.635 1.615 9.677 43 HD1 PHE 5 HD1 PHE 5 4.499 -0.231 9.878 44 HD2 PHE 5 HD2 PHE 5 7.080 0.384 6.472 45 HE1 PHE 5 HE1 PHE 5 3.890 -2.467 9.004 46 HE2 PHE 5 HE2 PHE 5 6.455 -1.844 5.601 47 HZ PHE 5 HZ PHE 5 4.855 -3.271 6.854 48 H THR 6 H THR 6 3.436 4.440 8.002 49 HA THR 6 HA THR 6 3.649 6.668 7.593 50 HB THR 6 HB THR 6 6.449 6.857 8.736 51 HG1 THR 6 HG1 THR 6 5.449 5.887 10.353 52 1HG2 THR 6 HG21 THR 6 4.065 8.753 8.722 53 2HG2 THR 6 HG22 THR 6 5.447 8.825 7.601 54 3HG2 THR 6 HG23 THR 6 5.692 9.098 9.337 55 H TYR 7 H TYR 7 3.802 6.728 5.365 56 HA TYR 7 HA TYR 7 5.264 5.035 3.843 57 1HB TYR 7 HB2 TYR 7 3.430 6.323 2.967 58 2HB TYR 7 HB3 TYR 7 4.332 7.831 3.112 59 HD1 TYR 7 HD1 TYR 7 4.366 4.474 1.425 60 HD2 TYR 7 HD2 TYR 7 5.732 8.564 1.308 61 HE1 TYR 7 HE1 TYR 7 5.483 4.042 -0.741 62 HE2 TYR 7 HE2 TYR 7 6.831 8.130 -0.871 63 HH TYR 7 HH TYR 7 6.809 4.918 -2.425 64 H GLY 8 H GLY 8 6.321 8.281 4.750 65 1HA GLY 8 HA2 GLY 8 8.670 8.633 3.345 66 2HA GLY 8 HA3 GLY 8 8.442 9.145 5.026 67 H GLU 9 H GLU 9 8.204 6.511 6.226 68 HA GLU 9 HA GLU 9 11.038 5.932 6.497 69 1HB GLU 9 HB2 GLU 9 8.581 4.598 7.710 70 2HB GLU 9 HB3 GLU 9 10.264 4.249 8.115 71 1HG GLU 9 HG2 GLU 9 10.548 6.736 8.659 72 2HG GLU 9 HG3 GLU 9 8.800 6.903 8.494 73 H LEU 10 H LEU 10 8.266 4.421 4.820 74 HA LEU 10 HA LEU 10 9.718 1.987 4.183 75 1HB LEU 10 HB2 LEU 10 7.271 2.031 4.126 76 2HB LEU 10 HB3 LEU 10 7.291 3.269 2.863 77 HG LEU 10 HG LEU 10 8.378 1.692 1.294 78 1HD1 LEU 10 HD11 LEU 10 8.116 -0.309 3.588 79 2HD1 LEU 10 HD12 LEU 10 8.453 -0.744 1.900 80 3HD1 LEU 10 HD13 LEU 10 9.624 0.217 2.803 81 1HD2 LEU 10 HD21 LEU 10 5.911 1.866 1.413 82 2HD2 LEU 10 HD22 LEU 10 6.451 0.250 0.929 83 3HD2 LEU 10 HD23 LEU 10 5.885 0.527 2.587 84 H GLN 11 H GLN 11 9.085 5.119 2.557 85 HA GLN 11 HA GLN 11 10.543 4.547 0.205 86 1HB GLN 11 HB2 GLN 11 9.017 6.641 1.020 87 2HB GLN 11 HB3 GLN 11 10.614 7.366 1.229 88 1HG GLN 11 HG2 GLN 11 9.459 6.099 -1.305 89 2HG GLN 11 HG3 GLN 11 9.675 7.823 -0.996 90 1HE2 GLN 11 HE22 GLN 11 11.221 4.904 -2.158 91 2HE2 GLN 11 HE21 GLN 11 12.794 5.652 -2.436 92 H ARG 12 H ARG 12 11.619 6.114 3.265 93 HA ARG 12 HA ARG 12 14.342 6.400 2.733 94 1HB ARG 12 HB2 ARG 12 13.170 7.190 4.768 95 2HB ARG 12 HB3 ARG 12 13.019 5.517 5.313 96 1HG ARG 12 HG2 ARG 12 15.558 5.366 5.341 97 2HG ARG 12 HG3 ARG 12 15.597 7.091 4.936 98 1HD ARG 12 HD2 ARG 12 15.816 6.792 7.366 99 2HD ARG 12 HD3 ARG 12 14.270 7.576 6.980 100 HE ARG 12 HE ARG 12 14.196 4.645 7.177 101 1HH1 ARG 12 HH11 ARG 12 13.838 7.642 9.033 102 2HH1 ARG 12 HH12 ARG 12 12.741 6.938 10.192 103 1HH2 ARG 12 HH21 ARG 12 12.799 3.732 8.701 104 2HH2 ARG 12 HH22 ARG 12 12.061 4.714 9.943 105 H MET 13 H MET 13 12.651 3.446 3.994 106 HA MET 13 HA MET 13 14.933 1.806 4.108 107 1HB MET 13 HB2 MET 13 12.700 1.296 5.082 108 2HB MET 13 HB3 MET 13 12.089 0.925 3.462 109 1HG MET 13 HG2 MET 13 13.745 -0.878 3.235 110 2HG MET 13 HG3 MET 13 14.407 -0.483 4.831 111 1HE MET 13 HE1 MET 13 13.538 -3.419 3.950 112 2HE MET 13 HE2 MET 13 14.210 -3.004 5.547 113 3HE MET 13 HE3 MET 13 12.708 -3.950 5.430 114 H GLN 14 H GLN 14 12.680 2.358 1.340 115 HA GLN 14 HA GLN 14 13.985 0.640 -0.524 116 1HB GLN 14 HB2 GLN 14 12.563 3.275 -1.022 117 2HB GLN 14 HB3 GLN 14 13.044 2.142 -2.277 118 1HG GLN 14 HG2 GLN 14 11.565 0.442 -1.477 119 2HG GLN 14 HG3 GLN 14 11.175 1.345 -0.011 120 1HE2 GLN 14 HE22 GLN 14 9.132 0.423 -1.678 121 2HE2 GLN 14 HE21 GLN 14 8.380 1.807 -2.451 122 H GLU 15 H GLU 15 14.605 4.120 0.234 123 HA GLU 15 HA GLU 15 16.771 4.379 -1.616 124 1HB GLU 15 HB2 GLU 15 16.329 5.904 0.990 125 2HB GLU 15 HB3 GLU 15 17.431 6.352 -0.317 126 1HG GLU 15 HG2 GLU 15 14.392 6.280 -0.451 127 2HG GLU 15 HG3 GLU 15 15.431 7.692 -0.521 128 H LYS 16 H LYS 16 16.729 3.301 1.797 129 HA LYS 16 HA LYS 16 19.545 3.091 2.092 130 1HB LYS 16 HB2 LYS 16 17.867 2.983 3.932 131 2HB LYS 16 HB3 LYS 16 17.408 1.358 3.398 132 1HG LYS 16 HG2 LYS 16 19.730 0.571 3.796 133 2HG LYS 16 HG3 LYS 16 20.192 2.214 4.292 134 1HD LYS 16 HD2 LYS 16 18.568 2.109 6.171 135 2HD LYS 16 HD3 LYS 16 18.031 0.512 5.630 136 1HE LYS 16 HE2 LYS 16 19.566 0.274 7.513 137 2HE LYS 16 HE3 LYS 16 20.290 -0.419 6.054 138 1HZ LYS 16 HZ1 LYS 16 20.866 2.248 7.153 139 2HZ LYS 16 HZ2 LYS 16 21.829 0.920 7.304 140 3HZ LYS 16 HZ3 LYS 16 21.572 1.586 5.820 141 H GLU 17 H GLU 17 17.112 0.649 1.039 142 HA GLU 17 HA GLU 17 18.904 -1.472 0.465 143 1HB GLU 17 HB2 GLU 17 16.282 -0.663 -0.856 144 2HB GLU 17 HB3 GLU 17 17.136 -2.170 -1.206 145 1HG GLU 17 HG2 GLU 17 16.893 -2.953 1.064 146 2HG GLU 17 HG3 GLU 17 16.267 -1.395 1.612 147 H ARG 18 H ARG 18 17.719 1.144 -1.702 148 HA ARG 18 HA ARG 18 19.201 0.433 -3.982 149 1HB ARG 18 HB2 ARG 18 17.361 2.121 -3.867 150 2HB ARG 18 HB3 ARG 18 18.471 3.242 -3.061 151 1HG ARG 18 HG2 ARG 18 19.968 3.170 -5.055 152 2HG ARG 18 HG3 ARG 18 18.865 2.029 -5.835 153 1HD ARG 18 HD2 ARG 18 18.449 4.304 -6.685 154 2HD ARG 18 HD3 ARG 18 17.055 3.694 -5.801 155 HE ARG 18 HE ARG 18 17.251 5.385 -4.290 156 1HH1 ARG 18 HH21 ARG 18 20.360 5.082 -5.942 157 2HH1 ARG 18 HH22 ARG 18 21.036 6.523 -5.231 158 1HH2 ARG 18 HH11 ARG 18 18.084 7.245 -3.385 159 2HH2 ARG 18 HH12 ARG 18 19.718 7.778 -3.715 160 H ASN 19 H ASN 19 20.111 2.650 -1.310 161 HA ASN 19 HA ASN 19 22.663 3.398 -2.239 162 1HB ASN 19 HB2 ASN 19 21.660 4.583 -0.403 163 2HB ASN 19 HB3 ASN 19 21.533 3.113 0.566 164 1HD2 ASN 19 HD22 ASN 19 24.078 5.090 -1.102 165 2HD2 ASN 19 HD21 ASN 19 25.267 4.826 0.160 166 H LYS 20 H LYS 20 21.766 0.644 -0.077 167 HA LYS 20 HA LYS 20 24.464 -0.338 0.126 168 1HB LYS 20 HB2 LYS 20 21.787 -1.753 0.443 169 2HB LYS 20 HB3 LYS 20 23.347 -2.456 0.881 170 1HG LYS 20 HG2 LYS 20 22.192 0.089 2.119 171 2HG LYS 20 HG3 LYS 20 22.077 -1.538 2.799 172 1HD LYS 20 HD2 LYS 20 24.611 -1.629 2.855 173 2HD LYS 20 HD3 LYS 20 24.640 0.048 2.284 174 1HE LYS 20 HE2 LYS 20 24.936 0.058 4.667 175 2HE LYS 20 HE3 LYS 20 23.368 0.779 4.277 176 1HZ LYS 20 HZ1 LYS 20 22.344 -1.303 4.869 177 2HZ LYS 20 HZ2 LYS 20 23.811 -1.989 5.178 178 3HZ LYS 20 HZ3 LYS 20 23.264 -0.754 6.121 179 H GLY 21 H GLY 21 21.841 -1.011 -2.194 180 1HA GLY 21 HA2 GLY 21 23.127 -3.094 -3.644 181 2HA GLY 21 HA3 GLY 21 21.900 -1.976 -4.266 182 H GLN 22 H GLN 22 23.213 0.472 -4.020 183 HA GLN 22 HA GLN 22 24.708 0.539 -6.408 184 1HB GLN 22 HB2 GLN 22 23.431 2.443 -5.544 185 2HB GLN 22 HB3 GLN 22 24.493 2.557 -4.137 186 1HG GLN 22 HG2 GLN 22 25.002 4.296 -5.745 187 2HG GLN 22 HG3 GLN 22 26.387 3.224 -5.571 188 1HE2 GLN 22 HE22 GLN 22 26.746 1.589 -7.338 189 2HE2 GLN 22 HE21 GLN 22 26.180 2.004 -8.953 Start of MODEL 18 1 1H PHE 1 H1 PHE 1 3.515 8.138 0.802 2 2H PHE 1 H2 PHE 1 3.380 9.747 0.472 3 3H PHE 1 H3 PHE 1 2.124 8.733 0.153 4 HA PHE 1 HA PHE 1 3.216 9.416 2.783 5 1HB PHE 1 HB2 PHE 1 1.928 11.247 1.874 6 2HB PHE 1 HB3 PHE 1 0.608 10.171 1.428 7 HD1 PHE 1 HD1 PHE 1 -1.273 10.206 2.844 8 HD2 PHE 1 HD2 PHE 1 2.616 11.056 4.512 9 HE1 PHE 1 HE1 PHE 1 -2.299 10.563 5.068 10 HE2 PHE 1 HE2 PHE 1 1.580 11.392 6.739 11 HZ PHE 1 HZ PHE 1 -0.877 11.150 7.020 12 H VAL 2 H VAL 2 0.526 7.855 1.135 13 HA VAL 2 HA VAL 2 -1.057 6.396 2.356 14 HB VAL 2 HB VAL 2 -0.405 4.267 1.201 15 1HG1 VAL 2 HG11 VAL 2 -0.501 6.826 -0.452 16 2HG1 VAL 2 HG12 VAL 2 -0.909 5.192 -1.006 17 3HG1 VAL 2 HG13 VAL 2 -1.900 5.971 0.234 18 1HG2 VAL 2 HG21 VAL 2 1.865 5.976 0.056 19 2HG2 VAL 2 HG22 VAL 2 2.068 4.526 1.059 20 3HG2 VAL 2 HG23 VAL 2 1.334 4.394 -0.533 21 HA PRO 3 HA PRO 3 1.494 5.413 5.907 22 1HB PRO 3 HB2 PRO 3 -1.130 5.753 7.382 23 2HB PRO 3 HB3 PRO 3 0.499 6.313 7.851 24 1HG PRO 3 HG2 PRO 3 -1.262 8.037 6.744 25 2HG PRO 3 HG3 PRO 3 0.426 8.022 6.139 26 1HD PRO 3 HD2 PRO 3 -1.980 6.590 4.948 27 2HD PRO 3 HD3 PRO 3 -0.819 7.690 4.159 28 H ILE 4 H ILE 4 1.430 3.188 4.720 29 HA ILE 4 HA ILE 4 -0.174 1.172 5.982 30 HB ILE 4 HB ILE 4 2.555 0.381 4.967 31 1HG1 ILE 4 HG12 ILE 4 1.245 0.260 2.627 32 2HG1 ILE 4 HG13 ILE 4 0.527 1.752 3.226 33 1HG2 ILE 4 HG21 ILE 4 -0.214 -0.782 4.567 34 2HG2 ILE 4 HG22 ILE 4 1.341 -1.537 4.157 35 3HG2 ILE 4 HG23 ILE 4 0.925 -1.244 5.851 36 1HD1 ILE 4 HD11 ILE 4 2.974 2.553 3.648 37 2HD1 ILE 4 HD12 ILE 4 3.481 1.057 2.858 38 3HD1 ILE 4 HD13 ILE 4 2.555 2.259 1.945 39 H PHE 5 H PHE 5 3.253 1.889 6.328 40 HA PHE 5 HA PHE 5 3.057 1.651 9.306 41 1HB PHE 5 HB2 PHE 5 5.564 1.126 7.704 42 2HB PHE 5 HB3 PHE 5 5.256 0.727 9.387 43 HD1 PHE 5 HD1 PHE 5 6.127 -0.910 6.666 44 HD2 PHE 5 HD2 PHE 5 2.687 -0.776 9.268 45 HE1 PHE 5 HE1 PHE 5 5.375 -3.101 5.792 46 HE2 PHE 5 HE2 PHE 5 1.953 -2.974 8.403 47 HZ PHE 5 HZ PHE 5 3.277 -4.130 6.640 48 H THR 6 H THR 6 2.645 3.825 7.289 49 HA THR 6 HA THR 6 3.121 6.087 7.121 50 HB THR 6 HB THR 6 5.775 5.840 8.551 51 HG1 THR 6 HG1 THR 6 4.381 5.025 9.989 52 1HG2 THR 6 HG21 THR 6 5.243 7.931 7.323 53 2HG2 THR 6 HG22 THR 6 3.740 8.088 8.263 54 3HG2 THR 6 HG23 THR 6 5.311 8.174 9.079 55 H TYR 7 H TYR 7 3.517 6.202 4.843 56 HA TYR 7 HA TYR 7 5.229 4.443 3.569 57 1HB TYR 7 HB2 TYR 7 3.541 5.731 2.375 58 2HB TYR 7 HB3 TYR 7 4.475 7.218 2.639 59 HD1 TYR 7 HD1 TYR 7 5.916 7.931 0.916 60 HD2 TYR 7 HD2 TYR 7 4.953 3.739 1.246 61 HE1 TYR 7 HE1 TYR 7 7.519 7.418 -0.893 62 HE2 TYR 7 HE2 TYR 7 6.655 3.220 -0.480 63 HH TYR 7 HH TYR 7 8.741 5.750 -1.911 64 H GLY 8 H GLY 8 6.052 7.580 4.935 65 1HA GLY 8 HA2 GLY 8 8.598 8.129 4.036 66 2HA GLY 8 HA3 GLY 8 8.080 8.338 5.716 67 H GLU 9 H GLU 9 7.674 5.530 6.357 68 HA GLU 9 HA GLU 9 10.353 4.845 7.153 69 1HB GLU 9 HB2 GLU 9 8.291 4.241 8.423 70 2HB GLU 9 HB3 GLU 9 7.804 3.159 7.114 71 1HG GLU 9 HG2 GLU 9 9.923 1.841 7.475 72 2HG GLU 9 HG3 GLU 9 10.310 2.908 8.834 73 H LEU 10 H LEU 10 8.070 3.527 4.716 74 HA LEU 10 HA LEU 10 9.862 1.521 3.683 75 1HB LEU 10 HB2 LEU 10 7.420 2.886 2.462 76 2HB LEU 10 HB3 LEU 10 8.362 1.622 1.678 77 HG LEU 10 HG LEU 10 7.887 0.105 3.658 78 1HD1 LEU 10 HD11 LEU 10 5.891 2.328 4.296 79 2HD1 LEU 10 HD12 LEU 10 5.725 0.665 4.874 80 3HD1 LEU 10 HD13 LEU 10 7.114 1.625 5.382 81 1HD2 LEU 10 HD21 LEU 10 5.614 1.127 1.910 82 2HD2 LEU 10 HD22 LEU 10 6.796 -0.127 1.489 83 3HD2 LEU 10 HD23 LEU 10 5.618 -0.430 2.776 84 H GLN 11 H GLN 11 9.259 4.957 2.914 85 HA GLN 11 HA GLN 11 10.762 4.933 0.523 86 1HB GLN 11 HB2 GLN 11 9.114 6.684 1.157 87 2HB GLN 11 HB3 GLN 11 10.238 7.302 2.370 88 1HG GLN 11 HG2 GLN 11 10.253 8.591 0.229 89 2HG GLN 11 HG3 GLN 11 11.837 7.952 0.663 90 1HE2 GLN 11 HE22 GLN 11 12.671 6.065 -0.530 91 2HE2 GLN 11 HE21 GLN 11 12.061 5.765 -2.154 92 H ARG 12 H ARG 12 11.636 5.848 3.864 93 HA ARG 12 HA ARG 12 14.375 6.416 3.443 94 1HB ARG 12 HB2 ARG 12 13.072 6.905 5.492 95 2HB ARG 12 HB3 ARG 12 13.021 5.177 5.883 96 1HG ARG 12 HG2 ARG 12 15.517 5.142 5.992 97 2HG ARG 12 HG3 ARG 12 15.543 6.870 5.599 98 1HD ARG 12 HD2 ARG 12 14.246 5.580 8.045 99 2HD ARG 12 HD3 ARG 12 15.779 6.441 8.065 100 HE ARG 12 HE ARG 12 13.088 7.541 8.058 101 1HH1 ARG 12 HH21 ARG 12 16.428 8.266 7.188 102 2HH1 ARG 12 HH22 ARG 12 16.222 9.997 7.241 103 1HH2 ARG 12 HH11 ARG 12 12.794 9.791 8.133 104 2HH2 ARG 12 HH12 ARG 12 14.112 10.877 7.790 105 H MET 13 H MET 13 12.718 3.329 4.296 106 HA MET 13 HA MET 13 14.999 1.709 4.368 107 1HB MET 13 HB2 MET 13 12.676 1.108 5.093 108 2HB MET 13 HB3 MET 13 12.217 0.908 3.392 109 1HG MET 13 HG2 MET 13 13.992 -0.845 3.166 110 2HG MET 13 HG3 MET 13 14.345 -0.675 4.889 111 1HE MET 13 HE1 MET 13 12.601 -1.318 6.805 112 2HE MET 13 HE2 MET 13 11.260 -0.396 6.071 113 3HE MET 13 HE3 MET 13 11.037 -2.106 6.489 114 H GLN 14 H GLN 14 12.891 2.419 1.522 115 HA GLN 14 HA GLN 14 14.416 0.970 -0.382 116 1HB GLN 14 HB2 GLN 14 12.675 3.442 -0.598 117 2HB GLN 14 HB3 GLN 14 13.451 2.717 -2.010 118 1HG GLN 14 HG2 GLN 14 12.268 0.672 -1.798 119 2HG GLN 14 HG3 GLN 14 11.699 1.052 -0.169 120 1HE2 GLN 14 HE22 GLN 14 10.276 2.916 0.083 121 2HE2 GLN 14 HE21 GLN 14 9.194 3.416 -1.232 122 H GLU 15 H GLU 15 14.771 4.413 0.680 123 HA GLU 15 HA GLU 15 16.918 5.064 -1.052 124 1HB GLU 15 HB2 GLU 15 16.242 6.051 1.743 125 2HB GLU 15 HB3 GLU 15 17.568 6.707 0.781 126 1HG GLU 15 HG2 GLU 15 16.091 7.472 -0.949 127 2HG GLU 15 HG3 GLU 15 14.710 6.625 -0.252 128 H LYS 16 H LYS 16 17.066 3.680 2.290 129 HA LYS 16 HA LYS 16 19.943 3.518 2.301 130 1HB LYS 16 HB2 LYS 16 17.711 2.357 3.962 131 2HB LYS 16 HB3 LYS 16 19.327 1.661 4.093 132 1HG LYS 16 HG2 LYS 16 18.962 3.397 5.782 133 2HG LYS 16 HG3 LYS 16 20.326 3.749 4.713 134 1HD LYS 16 HD2 LYS 16 18.947 5.370 3.445 135 2HD LYS 16 HD3 LYS 16 17.547 4.983 4.464 136 1HE LYS 16 HE2 LYS 16 18.733 5.841 6.448 137 2HE LYS 16 HE3 LYS 16 20.187 6.134 5.475 138 1HZ LYS 16 HZ1 LYS 16 18.912 8.116 5.782 139 2HZ LYS 16 HZ2 LYS 16 18.958 7.707 4.188 140 3HZ LYS 16 HZ3 LYS 16 17.590 7.439 5.064 141 H GLU 17 H GLU 17 17.414 1.139 1.442 142 HA GLU 17 HA GLU 17 19.093 -1.050 0.947 143 1HB GLU 17 HB2 GLU 17 16.623 -1.096 1.090 144 2HB GLU 17 HB3 GLU 17 16.499 -0.347 -0.506 145 1HG GLU 17 HG2 GLU 17 18.040 -2.948 -0.072 146 2HG GLU 17 HG3 GLU 17 16.284 -2.938 -0.238 147 H ARG 18 H ARG 18 18.030 1.553 -1.335 148 HA ARG 18 HA ARG 18 19.644 0.475 -3.445 149 1HB ARG 18 HB2 ARG 18 17.626 1.891 -3.812 150 2HB ARG 18 HB3 ARG 18 18.512 3.280 -3.179 151 1HG ARG 18 HG2 ARG 18 18.466 3.250 -5.644 152 2HG ARG 18 HG3 ARG 18 20.118 3.169 -5.038 153 1HD ARG 18 HD2 ARG 18 19.682 1.664 -6.981 154 2HD ARG 18 HD3 ARG 18 20.280 0.808 -5.576 155 HE ARG 18 HE ARG 18 17.410 0.969 -6.462 156 1HH1 ARG 18 HH21 ARG 18 19.990 -1.152 -5.137 157 2HH1 ARG 18 HH22 ARG 18 18.837 -2.153 -4.296 158 1HH2 ARG 18 HH11 ARG 18 15.982 -0.482 -5.536 159 2HH2 ARG 18 HH12 ARG 18 16.553 -1.786 -4.533 160 H ASN 19 H ASN 19 20.244 2.995 -1.008 161 HA ASN 19 HA ASN 19 22.667 4.001 -2.024 162 1HB ASN 19 HB2 ASN 19 21.559 5.046 -0.135 163 2HB ASN 19 HB3 ASN 19 21.786 3.593 0.850 164 1HD2 ASN 19 HD22 ASN 19 23.849 5.817 -1.166 165 2HD2 ASN 19 HD21 ASN 19 25.142 5.861 0.017 166 H LYS 20 H LYS 20 22.111 1.164 0.119 167 HA LYS 20 HA LYS 20 24.910 0.379 0.055 168 1HB LYS 20 HB2 LYS 20 23.484 -0.233 1.918 169 2HB LYS 20 HB3 LYS 20 22.359 -1.080 0.856 170 1HG LYS 20 HG2 LYS 20 23.787 -2.626 2.101 171 2HG LYS 20 HG3 LYS 20 24.026 -2.803 0.361 172 1HD LYS 20 HD2 LYS 20 26.126 -1.516 0.476 173 2HD LYS 20 HD3 LYS 20 25.850 -1.176 2.200 174 1HE LYS 20 HE2 LYS 20 25.989 -3.611 2.690 175 2HE LYS 20 HE3 LYS 20 26.228 -3.947 0.963 176 1HZ LYS 20 HZ1 LYS 20 28.285 -3.901 2.150 177 2HZ LYS 20 HZ2 LYS 20 28.239 -2.671 1.055 178 3HZ LYS 20 HZ3 LYS 20 28.020 -2.356 2.659 179 H GLY 21 H GLY 21 21.945 -0.979 -1.423 180 1HA GLY 21 HA2 GLY 21 23.340 -2.929 -3.022 181 2HA GLY 21 HA3 GLY 21 21.611 -2.558 -3.012 182 H GLN 22 H GLN 22 24.710 -1.061 -3.987 183 HA GLN 22 HA GLN 22 23.769 -0.843 -6.758 184 1HB GLN 22 HB2 GLN 22 24.394 1.521 -6.975 185 2HB GLN 22 HB3 GLN 22 23.046 1.296 -5.855 186 1HG GLN 22 HG2 GLN 22 24.652 1.486 -3.932 187 2HG GLN 22 HG3 GLN 22 25.968 1.769 -5.079 188 1HE2 GLN 22 HE22 GLN 22 22.690 2.990 -4.286 189 2HE2 GLN 22 HE21 GLN 22 23.057 4.687 -4.632 Start of MODEL 19 1 1H PHE 1 H1 PHE 1 -0.969 8.037 -1.366 2 2H PHE 1 H2 PHE 1 -1.668 7.917 0.116 3 3H PHE 1 H3 PHE 1 -1.471 6.569 -0.818 4 HA PHE 1 HA PHE 1 0.880 6.772 -0.738 5 1HB PHE 1 HB2 PHE 1 2.004 8.319 0.637 6 2HB PHE 1 HB3 PHE 1 0.925 9.220 -0.416 7 HD1 PHE 1 HD1 PHE 1 -1.378 9.985 0.593 8 HD2 PHE 1 HD2 PHE 1 2.027 8.774 2.949 9 HE1 PHE 1 HE1 PHE 1 -2.316 11.160 2.559 10 HE2 PHE 1 HE2 PHE 1 1.139 10.060 4.874 11 HZ PHE 1 HZ PHE 1 -1.058 11.207 4.702 12 H VAL 2 H VAL 2 -1.720 6.565 1.503 13 HA VAL 2 HA VAL 2 -2.093 5.324 3.376 14 HB VAL 2 HB VAL 2 -0.841 3.178 1.650 15 1HG1 VAL 2 HG11 VAL 2 -2.636 1.807 2.588 16 2HG1 VAL 2 HG12 VAL 2 -1.762 2.553 3.933 17 3HG1 VAL 2 HG13 VAL 2 -3.327 3.208 3.431 18 1HG2 VAL 2 HG21 VAL 2 -3.523 4.589 1.321 19 2HG2 VAL 2 HG22 VAL 2 -2.197 4.526 0.136 20 3HG2 VAL 2 HG23 VAL 2 -3.080 3.056 0.545 21 HA PRO 3 HA PRO 3 2.237 5.468 4.933 22 1HB PRO 3 HB2 PRO 3 1.931 7.137 7.096 23 2HB PRO 3 HB3 PRO 3 1.860 7.716 5.413 24 1HG PRO 3 HG2 PRO 3 -0.458 6.928 7.202 25 2HG PRO 3 HG3 PRO 3 -0.245 8.477 6.337 26 1HD PRO 3 HD2 PRO 3 -1.716 6.442 5.303 27 2HD PRO 3 HD3 PRO 3 -0.697 7.450 4.235 28 H ILE 4 H ILE 4 1.241 3.080 5.259 29 HA ILE 4 HA ILE 4 0.143 2.203 7.597 30 HB ILE 4 HB ILE 4 1.103 0.036 7.169 31 1HG1 ILE 4 HG12 ILE 4 3.302 0.320 6.313 32 2HG1 ILE 4 HG13 ILE 4 2.328 -0.539 5.149 33 1HG2 ILE 4 HG21 ILE 4 0.007 1.330 4.648 34 2HG2 ILE 4 HG22 ILE 4 -0.065 -0.388 5.068 35 3HG2 ILE 4 HG23 ILE 4 -0.953 0.795 6.041 36 1HD1 ILE 4 HD11 ILE 4 3.263 2.353 4.928 37 2HD1 ILE 4 HD12 ILE 4 3.743 0.960 3.971 38 3HD1 ILE 4 HD13 ILE 4 2.105 1.582 3.807 39 H PHE 5 H PHE 5 3.614 2.341 7.018 40 HA PHE 5 HA PHE 5 4.103 2.313 9.998 41 1HB PHE 5 HB2 PHE 5 6.180 1.624 7.934 42 2HB PHE 5 HB3 PHE 5 6.175 1.243 9.650 43 HD1 PHE 5 HD1 PHE 5 3.455 -0.095 9.907 44 HD2 PHE 5 HD2 PHE 5 6.560 -0.455 6.934 45 HE1 PHE 5 HE1 PHE 5 2.510 -2.265 9.175 46 HE2 PHE 5 HE2 PHE 5 5.610 -2.623 6.205 47 HZ PHE 5 HZ PHE 5 3.564 -3.511 7.290 48 H THR 6 H THR 6 3.381 4.493 8.090 49 HA THR 6 HA THR 6 3.996 6.643 7.648 50 HB THR 6 HB THR 6 6.865 6.279 8.549 51 HG1 THR 6 HG1 THR 6 5.730 5.578 10.262 52 1HG2 THR 6 HG21 THR 6 4.939 8.636 8.601 53 2HG2 THR 6 HG22 THR 6 6.644 8.647 9.088 54 3HG2 THR 6 HG23 THR 6 6.217 8.373 7.388 55 H TYR 7 H TYR 7 3.995 6.716 5.433 56 HA TYR 7 HA TYR 7 5.185 4.933 3.682 57 1HB TYR 7 HB2 TYR 7 3.422 6.556 3.107 58 2HB TYR 7 HB3 TYR 7 4.568 7.886 3.250 59 HD1 TYR 7 HD1 TYR 7 5.829 8.564 1.338 60 HD2 TYR 7 HD2 TYR 7 3.844 4.734 1.345 61 HE1 TYR 7 HE1 TYR 7 6.543 8.185 -1.001 62 HE2 TYR 7 HE2 TYR 7 4.583 4.354 -0.993 63 HH TYR 7 HH TYR 7 7.185 6.192 -2.297 64 H GLY 8 H GLY 8 6.492 7.957 4.900 65 1HA GLY 8 HA2 GLY 8 8.930 8.313 3.655 66 2HA GLY 8 HA3 GLY 8 8.592 8.670 5.348 67 H GLU 9 H GLU 9 8.139 5.887 6.200 68 HA GLU 9 HA GLU 9 10.838 5.217 6.896 69 1HB GLU 9 HB2 GLU 9 8.795 4.661 8.261 70 2HB GLU 9 HB3 GLU 9 8.330 3.481 7.025 71 1HG GLU 9 HG2 GLU 9 10.543 2.307 7.416 72 2HG GLU 9 HG3 GLU 9 10.840 3.435 8.748 73 H LEU 10 H LEU 10 8.429 3.799 4.620 74 HA LEU 10 HA LEU 10 10.241 1.794 3.627 75 1HB LEU 10 HB2 LEU 10 7.762 2.988 2.328 76 2HB LEU 10 HB3 LEU 10 8.643 1.561 1.769 77 HG LEU 10 HG LEU 10 7.117 1.846 4.398 78 1HD1 LEU 10 HD11 LEU 10 5.722 1.505 2.399 79 2HD1 LEU 10 HD12 LEU 10 6.717 0.115 1.915 80 3HD1 LEU 10 HD13 LEU 10 5.743 0.031 3.391 81 1HD2 LEU 10 HD21 LEU 10 7.636 -0.616 4.664 82 2HD2 LEU 10 HD22 LEU 10 8.842 -0.455 3.373 83 3HD2 LEU 10 HD23 LEU 10 9.028 0.435 4.905 84 H GLN 11 H GLN 11 9.656 5.192 2.718 85 HA GLN 11 HA GLN 11 11.238 5.032 0.315 86 1HB GLN 11 HB2 GLN 11 11.002 7.513 2.050 87 2HB GLN 11 HB3 GLN 11 11.395 7.385 0.337 88 1HG GLN 11 HG2 GLN 11 8.722 7.164 1.685 89 2HG GLN 11 HG3 GLN 11 9.201 8.117 0.296 90 1HE2 GLN 11 HE22 GLN 11 7.916 5.068 1.408 91 2HE2 GLN 11 HE21 GLN 11 7.686 4.353 -0.190 92 H ARG 12 H ARG 12 12.085 5.850 3.714 93 HA ARG 12 HA ARG 12 14.882 6.187 3.273 94 1HB ARG 12 HB2 ARG 12 13.271 5.370 5.703 95 2HB ARG 12 HB3 ARG 12 15.028 5.596 5.754 96 1HG ARG 12 HG2 ARG 12 14.919 7.877 5.274 97 2HG ARG 12 HG3 ARG 12 13.346 7.756 4.494 98 1HD ARG 12 HD2 ARG 12 12.271 7.320 6.721 99 2HD ARG 12 HD3 ARG 12 13.858 7.461 7.484 100 HE ARG 12 HE ARG 12 13.674 9.724 7.423 101 1HH1 ARG 12 HH21 ARG 12 11.450 8.422 4.976 102 2HH1 ARG 12 HH22 ARG 12 10.826 9.994 4.537 103 1HH2 ARG 12 HH11 ARG 12 12.813 11.750 6.880 104 2HH2 ARG 12 HH12 ARG 12 11.578 11.904 5.662 105 H MET 13 H MET 13 13.011 3.202 4.069 106 HA MET 13 HA MET 13 15.248 1.440 4.021 107 1HB MET 13 HB2 MET 13 12.368 0.948 3.156 108 2HB MET 13 HB3 MET 13 13.590 -0.307 3.295 109 1HG MET 13 HG2 MET 13 12.572 1.448 5.563 110 2HG MET 13 HG3 MET 13 12.181 -0.244 5.290 111 1HE MET 13 HE1 MET 13 15.603 -1.989 6.168 112 2HE MET 13 HE2 MET 13 13.954 -2.221 5.538 113 3HE MET 13 HE3 MET 13 15.190 -1.404 4.544 114 H GLN 14 H GLN 14 13.212 2.656 1.289 115 HA GLN 14 HA GLN 14 14.661 1.245 -0.656 116 1HB GLN 14 HB2 GLN 14 12.452 2.424 -0.995 117 2HB GLN 14 HB3 GLN 14 13.330 3.952 -1.094 118 1HG GLN 14 HG2 GLN 14 12.813 3.002 -3.331 119 2HG GLN 14 HG3 GLN 14 14.546 3.221 -3.063 120 1HE2 GLN 14 HE22 GLN 14 12.236 0.593 -2.084 121 2HE2 GLN 14 HE21 GLN 14 13.264 -0.691 -2.704 122 H GLU 15 H GLU 15 15.353 4.465 0.783 123 HA GLU 15 HA GLU 15 17.647 5.033 -0.810 124 1HB GLU 15 HB2 GLU 15 17.353 5.659 2.163 125 2HB GLU 15 HB3 GLU 15 18.473 6.390 1.023 126 1HG GLU 15 HG2 GLU 15 15.441 6.683 0.984 127 2HG GLU 15 HG3 GLU 15 16.623 7.903 1.439 128 H LYS 16 H LYS 16 17.382 3.085 2.211 129 HA LYS 16 HA LYS 16 20.158 2.389 2.311 130 1HB LYS 16 HB2 LYS 16 17.802 0.737 3.304 131 2HB LYS 16 HB3 LYS 16 19.493 0.519 3.742 132 1HG LYS 16 HG2 LYS 16 17.776 2.946 4.394 133 2HG LYS 16 HG3 LYS 16 18.250 1.658 5.500 134 1HD LYS 16 HD2 LYS 16 20.670 2.278 5.109 135 2HD LYS 16 HD3 LYS 16 20.121 3.675 4.163 136 1HE LYS 16 HE2 LYS 16 19.453 3.140 7.094 137 2HE LYS 16 HE3 LYS 16 20.648 4.300 6.490 138 1HZ LYS 16 HZ1 LYS 16 18.599 5.368 7.002 139 2HZ LYS 16 HZ2 LYS 16 18.876 5.459 5.380 140 3HZ LYS 16 HZ3 LYS 16 17.761 4.398 5.968 141 H GLU 17 H GLU 17 17.411 0.695 0.746 142 HA GLU 17 HA GLU 17 18.829 -1.521 -0.280 143 1HB GLU 17 HB2 GLU 17 16.488 0.029 -1.456 144 2HB GLU 17 HB3 GLU 17 17.073 -1.500 -2.100 145 1HG GLU 17 HG2 GLU 17 16.477 -2.716 -0.141 146 2HG GLU 17 HG3 GLU 17 16.239 -1.254 0.815 147 H ARG 18 H ARG 18 18.267 1.699 -1.822 148 HA ARG 18 HA ARG 18 19.812 1.129 -4.129 149 1HB ARG 18 HB2 ARG 18 18.187 3.093 -3.666 150 2HB ARG 18 HB3 ARG 18 19.586 3.907 -2.939 151 1HG ARG 18 HG2 ARG 18 20.831 3.394 -5.156 152 2HG ARG 18 HG3 ARG 18 19.269 2.853 -5.786 153 1HD ARG 18 HD2 ARG 18 20.125 5.649 -4.983 154 2HD ARG 18 HD3 ARG 18 19.548 5.079 -6.533 155 HE ARG 18 HE ARG 18 17.322 4.965 -5.769 156 1HH1 ARG 18 HH21 ARG 18 19.470 6.297 -3.271 157 2HH1 ARG 18 HH22 ARG 18 18.186 7.101 -2.416 158 1HH2 ARG 18 HH11 ARG 18 15.638 5.880 -4.556 159 2HH2 ARG 18 HH12 ARG 18 15.965 6.729 -3.066 160 H ASN 19 H ASN 19 20.748 2.607 -0.992 161 HA ASN 19 HA ASN 19 23.436 3.187 -1.631 162 1HB ASN 19 HB2 ASN 19 22.099 3.858 0.433 163 2HB ASN 19 HB3 ASN 19 22.450 2.260 1.096 164 1HD2 ASN 19 HD22 ASN 19 25.350 2.353 -0.159 165 2HD2 ASN 19 HD21 ASN 19 26.138 3.477 0.928 166 H LYS 20 H LYS 20 21.932 0.172 -0.402 167 HA LYS 20 HA LYS 20 24.383 -1.277 -0.129 168 1HB LYS 20 HB2 LYS 20 22.298 -1.882 1.040 169 2HB LYS 20 HB3 LYS 20 21.513 -2.231 -0.496 170 1HG LYS 20 HG2 LYS 20 22.195 -4.289 0.632 171 2HG LYS 20 HG3 LYS 20 22.980 -4.113 -0.929 172 1HD LYS 20 HD2 LYS 20 24.522 -4.986 0.781 173 2HD LYS 20 HD3 LYS 20 25.093 -3.467 0.106 174 1HE LYS 20 HE2 LYS 20 25.417 -3.571 2.553 175 2HE LYS 20 HE3 LYS 20 24.334 -2.245 2.123 176 1HZ LYS 20 HZ1 LYS 20 22.488 -3.639 2.717 177 2HZ LYS 20 HZ2 LYS 20 23.495 -4.888 3.097 178 3HZ LYS 20 HZ3 LYS 20 23.533 -3.499 3.983 179 H GLY 21 H GLY 21 21.919 -1.139 -2.734 180 1HA GLY 21 HA2 GLY 21 23.650 -2.711 -4.582 181 2HA GLY 21 HA3 GLY 21 21.955 -2.258 -4.800 182 H GLN 22 H GLN 22 24.858 -0.327 -3.987 183 HA GLN 22 HA GLN 22 24.042 1.863 -5.599 184 1HB GLN 22 HB2 GLN 22 26.082 2.921 -5.076 185 2HB GLN 22 HB3 GLN 22 25.527 2.079 -3.638 186 1HG GLN 22 HG2 GLN 22 27.790 1.249 -5.524 187 2HG GLN 22 HG3 GLN 22 27.957 1.898 -3.894 188 1HE2 GLN 22 HE22 GLN 22 26.215 0.448 -2.319 189 2HE2 GLN 22 HE21 GLN 22 26.489 -1.268 -2.509 Start of MODEL 20 1 1H PHE 1 H1 PHE 1 -5.086 5.480 0.663 2 2H PHE 1 H2 PHE 1 -4.472 6.718 -0.244 3 3H PHE 1 H3 PHE 1 -5.156 7.018 1.233 4 HA PHE 1 HA PHE 1 -2.743 5.439 0.808 5 1HB PHE 1 HB2 PHE 1 -2.310 7.782 0.304 6 2HB PHE 1 HB3 PHE 1 -3.114 8.291 1.785 7 HD1 PHE 1 HD1 PHE 1 -1.901 8.468 3.839 8 HD2 PHE 1 HD2 PHE 1 -0.166 6.342 0.510 9 HE1 PHE 1 HE1 PHE 1 0.250 8.306 5.059 10 HE2 PHE 1 HE2 PHE 1 1.976 6.163 1.747 11 HZ PHE 1 HZ PHE 1 2.194 7.164 4.012 12 H VAL 2 H VAL 2 -1.744 4.683 2.729 13 HA VAL 2 HA VAL 2 -3.038 5.189 5.300 14 HB VAL 2 HB VAL 2 -2.733 2.753 5.902 15 1HG1 VAL 2 HG11 VAL 2 -4.884 2.047 5.010 16 2HG1 VAL 2 HG12 VAL 2 -4.957 3.758 5.466 17 3HG1 VAL 2 HG13 VAL 2 -4.823 3.299 3.756 18 1HG2 VAL 2 HG21 VAL 2 -1.309 2.035 3.996 19 2HG2 VAL 2 HG22 VAL 2 -2.775 1.061 4.140 20 3HG2 VAL 2 HG23 VAL 2 -2.665 2.301 2.881 21 HA PRO 3 HA PRO 3 1.253 5.814 5.933 22 1HB PRO 3 HB2 PRO 3 1.462 6.100 8.632 23 2HB PRO 3 HB3 PRO 3 0.439 7.176 7.647 24 1HG PRO 3 HG2 PRO 3 -0.452 4.688 9.141 25 2HG PRO 3 HG3 PRO 3 -1.127 6.339 9.285 26 1HD PRO 3 HD2 PRO 3 -2.245 4.500 7.617 27 2HD PRO 3 HD3 PRO 3 -2.114 6.219 7.137 28 H ILE 4 H ILE 4 1.002 3.219 5.182 29 HA ILE 4 HA ILE 4 1.553 1.159 6.911 30 HB ILE 4 HB ILE 4 3.075 0.381 4.735 31 1HG1 ILE 4 HG12 ILE 4 1.995 1.039 2.701 32 2HG1 ILE 4 HG13 ILE 4 0.928 2.163 3.525 33 1HG2 ILE 4 HG21 ILE 4 0.057 0.314 5.034 34 2HG2 ILE 4 HG22 ILE 4 1.223 -0.837 5.720 35 3HG2 ILE 4 HG23 ILE 4 1.020 -0.730 3.966 36 1HD1 ILE 4 HD11 ILE 4 2.780 3.210 2.244 37 2HD1 ILE 4 HD12 ILE 4 2.777 3.697 3.932 38 3HD1 ILE 4 HD13 ILE 4 3.951 2.477 3.353 39 H PHE 5 H PHE 5 4.010 3.093 5.335 40 HA PHE 5 HA PHE 5 5.858 2.618 7.635 41 1HB PHE 5 HB2 PHE 5 6.673 2.892 4.728 42 2HB PHE 5 HB3 PHE 5 7.746 2.583 6.079 43 HD1 PHE 5 HD1 PHE 5 5.940 1.035 3.432 44 HD2 PHE 5 HD2 PHE 5 7.201 0.407 7.512 45 HE1 PHE 5 HE1 PHE 5 5.674 -1.407 3.142 46 HE2 PHE 5 HE2 PHE 5 6.936 -2.037 7.210 47 HZ PHE 5 HZ PHE 5 6.175 -2.951 5.026 48 H THR 6 H THR 6 3.791 4.512 7.220 49 HA THR 6 HA THR 6 3.220 6.676 6.891 50 HB THR 6 HB THR 6 5.870 7.310 8.228 51 HG1 THR 6 HG1 THR 6 4.888 5.487 9.219 52 1HG2 THR 6 HG21 THR 6 3.031 8.413 8.533 53 2HG2 THR 6 HG22 THR 6 4.398 9.282 7.807 54 3HG2 THR 6 HG23 THR 6 4.424 8.879 9.527 55 H TYR 7 H TYR 7 4.725 5.554 4.663 56 HA TYR 7 HA TYR 7 5.619 5.991 2.688 57 1HB TYR 7 HB2 TYR 7 4.006 7.794 2.425 58 2HB TYR 7 HB3 TYR 7 5.063 8.925 3.260 59 HD1 TYR 7 HD1 TYR 7 5.002 6.598 0.303 60 HD2 TYR 7 HD2 TYR 7 6.582 10.227 2.011 61 HE1 TYR 7 HE1 TYR 7 6.161 7.091 -1.825 62 HE2 TYR 7 HE2 TYR 7 7.692 10.751 -0.145 63 HH TYR 7 HH TYR 7 7.496 8.575 -2.974 64 H GLY 8 H GLY 8 6.760 8.490 4.890 65 1HA GLY 8 HA2 GLY 8 9.312 8.999 3.983 66 2HA GLY 8 HA3 GLY 8 8.842 9.059 5.690 67 H GLU 9 H GLU 9 8.369 6.258 6.213 68 HA GLU 9 HA GLU 9 11.180 5.502 6.480 69 1HB GLU 9 HB2 GLU 9 8.699 4.011 7.379 70 2HB GLU 9 HB3 GLU 9 10.375 3.621 7.754 71 1HG GLU 9 HG2 GLU 9 10.597 5.896 8.828 72 2HG GLU 9 HG3 GLU 9 8.873 6.168 8.532 73 H LEU 10 H LEU 10 8.571 4.816 4.241 74 HA LEU 10 HA LEU 10 9.714 2.400 3.105 75 1HB LEU 10 HB2 LEU 10 7.305 3.597 2.776 76 2HB LEU 10 HB3 LEU 10 8.131 4.343 1.421 77 HG LEU 10 HG LEU 10 7.862 1.346 1.928 78 1HD1 LEU 10 HD11 LEU 10 6.297 1.410 0.031 79 2HD1 LEU 10 HD12 LEU 10 5.737 2.484 1.324 80 3HD1 LEU 10 HD13 LEU 10 6.518 3.166 -0.118 81 1HD2 LEU 10 HD21 LEU 10 9.106 2.872 -0.403 82 2HD2 LEU 10 HD22 LEU 10 9.902 1.693 0.669 83 3HD2 LEU 10 HD23 LEU 10 8.658 1.154 -0.455 84 H GLN 11 H GLN 11 9.774 5.924 2.408 85 HA GLN 11 HA GLN 11 11.623 5.832 0.286 86 1HB GLN 11 HB2 GLN 11 10.229 7.857 1.341 87 2HB GLN 11 HB3 GLN 11 11.713 8.116 2.264 88 1HG GLN 11 HG2 GLN 11 12.209 9.407 0.428 89 2HG GLN 11 HG3 GLN 11 12.849 7.877 -0.171 90 1HE2 GLN 11 HE22 GLN 11 10.243 10.248 -0.399 91 2HE2 GLN 11 HE21 GLN 11 9.439 9.546 -1.795 92 H ARG 12 H ARG 12 12.240 6.215 3.812 93 HA ARG 12 HA ARG 12 15.035 6.308 3.728 94 1HB ARG 12 HB2 ARG 12 13.601 6.663 5.736 95 2HB ARG 12 HB3 ARG 12 13.318 4.914 5.811 96 1HG ARG 12 HG2 ARG 12 15.781 4.550 6.069 97 2HG ARG 12 HG3 ARG 12 16.021 6.306 6.027 98 1HD ARG 12 HD2 ARG 12 15.976 5.543 8.361 99 2HD ARG 12 HD3 ARG 12 14.551 6.537 8.012 100 HE ARG 12 HE ARG 12 14.281 3.607 7.688 101 1HH1 ARG 12 HH11 ARG 12 13.725 6.353 9.880 102 2HH1 ARG 12 HH12 ARG 12 12.419 5.553 10.719 103 1HH2 ARG 12 HH21 ARG 12 12.636 2.569 8.868 104 2HH2 ARG 12 HH22 ARG 12 11.767 3.443 10.112 105 H MET 13 H MET 13 12.953 3.359 4.031 106 HA MET 13 HA MET 13 15.046 1.473 4.002 107 1HB MET 13 HB2 MET 13 12.742 0.968 4.629 108 2HB MET 13 HB3 MET 13 12.175 1.229 2.975 109 1HG MET 13 HG2 MET 13 14.278 -0.853 3.657 110 2HG MET 13 HG3 MET 13 12.546 -1.183 3.774 111 1HE MET 13 HE1 MET 13 14.683 -2.874 2.072 112 2HE MET 13 HE2 MET 13 12.966 -3.317 2.253 113 3HE MET 13 HE3 MET 13 13.699 -3.227 0.634 114 H GLN 14 H GLN 14 13.167 2.827 1.272 115 HA GLN 14 HA GLN 14 14.404 1.456 -0.847 116 1HB GLN 14 HB2 GLN 14 12.351 2.876 -0.935 117 2HB GLN 14 HB3 GLN 14 13.365 4.303 -0.716 118 1HG GLN 14 HG2 GLN 14 14.557 3.487 -2.914 119 2HG GLN 14 HG3 GLN 14 13.069 2.562 -3.156 120 1HE2 GLN 14 HE22 GLN 14 11.206 4.395 -1.975 121 2HE2 GLN 14 HE21 GLN 14 11.273 5.948 -2.780 122 H GLU 15 H GLU 15 15.336 4.580 0.702 123 HA GLU 15 HA GLU 15 17.576 5.131 -0.966 124 1HB GLU 15 HB2 GLU 15 16.869 5.954 1.875 125 2HB GLU 15 HB3 GLU 15 18.291 6.564 1.019 126 1HG GLU 15 HG2 GLU 15 16.979 7.630 -0.666 127 2HG GLU 15 HG3 GLU 15 15.500 6.805 -0.178 128 H LYS 16 H LYS 16 17.359 3.413 2.204 129 HA LYS 16 HA LYS 16 20.150 2.808 2.395 130 1HB LYS 16 HB2 LYS 16 17.687 1.388 3.472 131 2HB LYS 16 HB3 LYS 16 19.349 0.894 3.837 132 1HG LYS 16 HG2 LYS 16 19.855 3.084 4.789 133 2HG LYS 16 HG3 LYS 16 18.231 3.678 4.399 134 1HD LYS 16 HD2 LYS 16 17.206 2.008 5.866 135 2HD LYS 16 HD3 LYS 16 18.783 1.294 6.235 136 1HE LYS 16 HE2 LYS 16 17.984 4.174 6.892 137 2HE LYS 16 HE3 LYS 16 17.918 2.821 8.031 138 1HZ LYS 16 HZ1 LYS 16 19.911 4.061 8.288 139 2HZ LYS 16 HZ2 LYS 16 20.277 2.550 7.746 140 3HZ LYS 16 HZ3 LYS 16 20.338 3.834 6.715 141 H GLU 17 H GLU 17 17.432 1.028 0.880 142 HA GLU 17 HA GLU 17 18.914 -1.223 0.089 143 1HB GLU 17 HB2 GLU 17 16.393 -0.943 0.127 144 2HB GLU 17 HB3 GLU 17 16.529 -0.020 -1.369 145 1HG GLU 17 HG2 GLU 17 15.954 -2.311 -1.915 146 2HG GLU 17 HG3 GLU 17 17.634 -2.069 -2.421 147 H ARG 18 H ARG 18 18.298 1.854 -1.706 148 HA ARG 18 HA ARG 18 19.873 1.231 -4.006 149 1HB ARG 18 HB2 ARG 18 19.017 3.805 -2.650 150 2HB ARG 18 HB3 ARG 18 20.361 3.849 -3.778 151 1HG ARG 18 HG2 ARG 18 18.649 4.401 -5.132 152 2HG ARG 18 HG3 ARG 18 18.870 2.693 -5.500 153 1HD ARG 18 HD2 ARG 18 16.790 3.891 -3.604 154 2HD ARG 18 HD3 ARG 18 16.450 3.472 -5.276 155 HE ARG 18 HE ARG 18 16.604 1.722 -2.982 156 1HH1 ARG 18 HH21 ARG 18 17.103 1.810 -6.478 157 2HH1 ARG 18 HH22 ARG 18 16.751 0.123 -6.736 158 1HH2 ARG 18 HH11 ARG 18 16.100 -0.506 -3.310 159 2HH2 ARG 18 HH12 ARG 18 16.193 -1.219 -4.897 160 H ASN 19 H ASN 19 20.776 2.877 -0.954 161 HA ASN 19 HA ASN 19 23.440 3.414 -1.551 162 1HB ASN 19 HB2 ASN 19 22.357 4.395 0.379 163 2HB ASN 19 HB3 ASN 19 22.123 2.806 1.116 164 1HD2 ASN 19 HD22 ASN 19 24.841 4.852 -0.150 165 2HD2 ASN 19 HD21 ASN 19 25.943 4.368 1.124 166 H LYS 20 H LYS 20 22.122 0.421 -0.057 167 HA LYS 20 HA LYS 20 24.796 -0.800 0.046 168 1HB LYS 20 HB2 LYS 20 22.058 -2.061 0.431 169 2HB LYS 20 HB3 LYS 20 23.621 -2.779 0.841 170 1HG LYS 20 HG2 LYS 20 22.355 -0.319 2.119 171 2HG LYS 20 HG3 LYS 20 22.521 -1.920 2.837 172 1HD LYS 20 HD2 LYS 20 25.019 -1.681 2.725 173 2HD LYS 20 HD3 LYS 20 24.818 -0.027 2.112 174 1HE LYS 20 HE2 LYS 20 23.797 -1.015 4.807 175 2HE LYS 20 HE3 LYS 20 25.260 -0.056 4.529 176 1HZ LYS 20 HZ1 LYS 20 23.877 1.661 3.578 177 2HZ LYS 20 HZ2 LYS 20 22.519 0.796 3.931 178 3HZ LYS 20 HZ3 LYS 20 23.479 1.348 5.151 179 H GLY 21 H GLY 21 21.891 -1.148 -2.018 180 1HA GLY 21 HA2 GLY 21 22.695 -3.352 -3.533 181 2HA GLY 21 HA3 GLY 21 21.577 -2.082 -4.058 182 H GLN 22 H GLN 22 23.216 0.142 -4.188 183 HA GLN 22 HA GLN 22 24.573 1.252 -5.631 184 1HB GLN 22 HB2 GLN 22 26.366 -1.168 -5.168 185 2HB GLN 22 HB3 GLN 22 26.900 0.382 -5.835 186 1HG GLN 22 HG2 GLN 22 26.456 1.552 -3.801 187 2HG GLN 22 HG3 GLN 22 25.543 0.202 -3.127 188 1HE2 GLN 22 HE22 GLN 22 26.609 -1.703 -2.390 189 2HE2 GLN 22 HE21 GLN 22 28.335 -1.663 -2.030 Start of MODEL 21 1 1H PHE 1 H1 PHE 1 -0.875 10.033 1.683 2 2H PHE 1 H2 PHE 1 -2.272 9.554 0.966 3 3H PHE 1 H3 PHE 1 -0.896 9.705 0.061 4 HA PHE 1 HA PHE 1 -1.413 7.416 0.519 5 1HB PHE 1 HB2 PHE 1 0.805 6.781 1.500 6 2HB PHE 1 HB3 PHE 1 0.883 7.884 0.136 7 HD1 PHE 1 HD1 PHE 1 1.018 7.794 3.902 8 HD2 PHE 1 HD2 PHE 1 2.067 9.935 0.304 9 HE1 PHE 1 HE1 PHE 1 2.272 9.446 5.247 10 HE2 PHE 1 HE2 PHE 1 3.376 11.546 1.654 11 HZ PHE 1 HZ PHE 1 3.468 11.316 4.128 12 H VAL 2 H VAL 2 -1.544 5.696 2.079 13 HA VAL 2 HA VAL 2 -2.629 6.496 4.702 14 HB VAL 2 HB VAL 2 -2.298 3.779 3.370 15 1HG1 VAL 2 HG11 VAL 2 -3.782 4.540 5.928 16 2HG1 VAL 2 HG12 VAL 2 -3.772 2.942 5.160 17 3HG1 VAL 2 HG13 VAL 2 -2.282 3.587 5.855 18 1HG2 VAL 2 HG21 VAL 2 -4.769 3.877 3.150 19 2HG2 VAL 2 HG22 VAL 2 -4.758 5.535 3.785 20 3HG2 VAL 2 HG23 VAL 2 -3.988 5.165 2.227 21 HA PRO 3 HA PRO 3 1.641 5.910 6.113 22 1HB PRO 3 HB2 PRO 3 1.389 6.433 8.776 23 2HB PRO 3 HB3 PRO 3 1.113 7.684 7.535 24 1HG PRO 3 HG2 PRO 3 -0.976 5.952 8.890 25 2HG PRO 3 HG3 PRO 3 -0.953 7.736 8.775 26 1HD PRO 3 HD2 PRO 3 -2.353 6.204 7.013 27 2HD PRO 3 HD3 PRO 3 -1.497 7.677 6.465 28 H ILE 4 H ILE 4 0.708 3.556 5.363 29 HA ILE 4 HA ILE 4 -0.239 1.717 7.146 30 HB ILE 4 HB ILE 4 0.629 -0.009 5.742 31 1HG1 ILE 4 HG12 ILE 4 2.777 0.604 4.944 32 2HG1 ILE 4 HG13 ILE 4 1.706 0.346 3.593 33 1HG2 ILE 4 HG21 ILE 4 -1.472 1.125 5.200 34 2HG2 ILE 4 HG22 ILE 4 -0.611 2.278 4.164 35 3HG2 ILE 4 HG23 ILE 4 -0.669 0.562 3.726 36 1HD1 ILE 4 HD11 ILE 4 2.676 3.057 4.589 37 2HD1 ILE 4 HD12 ILE 4 3.122 2.215 3.112 38 3HD1 ILE 4 HD13 ILE 4 1.474 2.816 3.292 39 H PHE 5 H PHE 5 3.172 2.131 6.397 40 HA PHE 5 HA PHE 5 3.903 0.985 9.079 41 1HB PHE 5 HB2 PHE 5 5.707 0.972 6.650 42 2HB PHE 5 HB3 PHE 5 5.914 0.101 8.160 43 HD1 PHE 5 HD1 PHE 5 3.287 -1.282 8.493 44 HD2 PHE 5 HD2 PHE 5 5.667 -0.629 4.954 45 HE1 PHE 5 HE1 PHE 5 2.169 -3.190 7.383 46 HE2 PHE 5 HE2 PHE 5 4.547 -2.545 3.851 47 HZ PHE 5 HZ PHE 5 2.786 -3.818 5.053 48 H THR 6 H THR 6 3.024 3.621 8.412 49 HA THR 6 HA THR 6 3.634 5.821 8.435 50 HB THR 6 HB THR 6 6.272 4.976 9.703 51 HG1 THR 6 HG1 THR 6 4.439 4.122 10.779 52 1HG2 THR 6 HG21 THR 6 6.103 7.176 10.794 53 2HG2 THR 6 HG22 THR 6 6.162 7.370 9.034 54 3HG2 THR 6 HG23 THR 6 4.613 7.531 9.898 55 H TYR 7 H TYR 7 3.555 5.149 6.193 56 HA TYR 7 HA TYR 7 4.691 4.487 4.142 57 1HB TYR 7 HB2 TYR 7 2.932 6.085 3.998 58 2HB TYR 7 HB3 TYR 7 3.972 7.385 4.576 59 HD1 TYR 7 HD1 TYR 7 3.369 5.073 1.695 60 HD2 TYR 7 HD2 TYR 7 5.284 8.690 3.060 61 HE1 TYR 7 HE1 TYR 7 4.108 5.570 -0.624 62 HE2 TYR 7 HE2 TYR 7 6.008 9.179 0.754 63 HH TYR 7 HH TYR 7 6.396 8.185 -1.336 64 H GLY 8 H GLY 8 6.182 7.408 5.441 65 1HA GLY 8 HA2 GLY 8 8.323 7.857 3.734 66 2HA GLY 8 HA3 GLY 8 8.365 8.147 5.481 67 H GLU 9 H GLU 9 8.144 5.436 6.384 68 HA GLU 9 HA GLU 9 10.821 4.595 6.436 69 1HB GLU 9 HB2 GLU 9 8.261 3.002 6.873 70 2HB GLU 9 HB3 GLU 9 9.893 2.401 7.201 71 1HG GLU 9 HG2 GLU 9 10.282 4.286 8.781 72 2HG GLU 9 HG3 GLU 9 8.629 4.856 8.501 73 H LEU 10 H LEU 10 8.282 3.714 4.050 74 HA LEU 10 HA LEU 10 9.843 1.596 2.825 75 1HB LEU 10 HB2 LEU 10 7.590 3.341 1.748 76 2HB LEU 10 HB3 LEU 10 8.277 1.962 0.894 77 HG LEU 10 HG LEU 10 6.926 1.753 3.626 78 1HD1 LEU 10 HD11 LEU 10 5.863 1.128 0.837 79 2HD1 LEU 10 HD12 LEU 10 5.029 0.797 2.370 80 3HD1 LEU 10 HD13 LEU 10 5.342 2.472 1.876 81 1HD2 LEU 10 HD21 LEU 10 7.915 -0.318 1.603 82 2HD2 LEU 10 HD22 LEU 10 8.467 -0.110 3.282 83 3HD2 LEU 10 HD23 LEU 10 6.837 -0.702 2.951 84 H GLN 11 H GLN 11 9.654 5.125 2.422 85 HA GLN 11 HA GLN 11 11.239 5.162 -0.030 86 1HB GLN 11 HB2 GLN 11 10.776 7.407 1.966 87 2HB GLN 11 HB3 GLN 11 11.387 7.532 0.308 88 1HG GLN 11 HG2 GLN 11 9.197 6.465 -0.472 89 2HG GLN 11 HG3 GLN 11 8.583 6.676 1.174 90 1HE2 GLN 11 HE22 GLN 11 9.964 9.298 1.588 91 2HE2 GLN 11 HE21 GLN 11 9.059 10.430 0.599 92 H ARG 12 H ARG 12 11.825 5.643 3.473 93 HA ARG 12 HA ARG 12 14.597 6.012 3.319 94 1HB ARG 12 HB2 ARG 12 12.867 6.016 5.407 95 2HB ARG 12 HB3 ARG 12 13.483 4.378 5.593 96 1HG ARG 12 HG2 ARG 12 15.069 5.490 6.843 97 2HG ARG 12 HG3 ARG 12 15.852 5.596 5.264 98 1HD ARG 12 HD2 ARG 12 14.383 7.727 6.841 99 2HD ARG 12 HD3 ARG 12 15.994 7.777 6.161 100 HE ARG 12 HE ARG 12 15.151 8.143 3.974 101 1HH1 ARG 12 HH21 ARG 12 12.575 8.308 6.433 102 2HH1 ARG 12 HH22 ARG 12 11.483 9.165 5.388 103 1HH2 ARG 12 HH11 ARG 12 13.644 9.112 2.595 104 2HH2 ARG 12 HH12 ARG 12 12.128 9.702 3.223 105 H MET 13 H MET 13 12.792 2.928 3.640 106 HA MET 13 HA MET 13 14.971 1.172 3.674 107 1HB MET 13 HB2 MET 13 12.604 0.538 4.079 108 2HB MET 13 HB3 MET 13 12.245 0.787 2.363 109 1HG MET 13 HG2 MET 13 13.850 -1.029 1.777 110 2HG MET 13 HG3 MET 13 14.239 -1.216 3.491 111 1HE MET 13 HE1 MET 13 10.208 -2.427 1.577 112 2HE MET 13 HE2 MET 13 10.626 -0.720 1.819 113 3HE MET 13 HE3 MET 13 11.566 -1.714 0.678 114 H GLN 14 H GLN 14 13.124 2.382 0.809 115 HA GLN 14 HA GLN 14 14.757 1.135 -1.144 116 1HB GLN 14 HB2 GLN 14 13.073 3.655 -1.200 117 2HB GLN 14 HB3 GLN 14 13.916 3.047 -2.633 118 1HG GLN 14 HG2 GLN 14 12.716 0.994 -2.649 119 2HG GLN 14 HG3 GLN 14 12.074 1.238 -1.021 120 1HE2 GLN 14 HE22 GLN 14 10.582 3.029 -0.670 121 2HE2 GLN 14 HE21 GLN 14 9.497 3.504 -1.986 122 H GLU 15 H GLU 15 15.170 4.361 0.416 123 HA GLU 15 HA GLU 15 17.476 5.150 -1.051 124 1HB GLU 15 HB2 GLU 15 16.640 5.739 1.810 125 2HB GLU 15 HB3 GLU 15 17.976 6.544 0.992 126 1HG GLU 15 HG2 GLU 15 16.580 7.671 -0.522 127 2HG GLU 15 HG3 GLU 15 15.236 6.552 -0.305 128 H LYS 16 H LYS 16 17.234 3.307 2.050 129 HA LYS 16 HA LYS 16 20.056 2.983 2.371 130 1HB LYS 16 HB2 LYS 16 17.745 1.256 3.340 131 2HB LYS 16 HB3 LYS 16 19.420 1.066 3.866 132 1HG LYS 16 HG2 LYS 16 17.778 3.612 4.259 133 2HG LYS 16 HG3 LYS 16 17.973 2.329 5.456 134 1HD LYS 16 HD2 LYS 16 20.451 2.713 5.424 135 2HD LYS 16 HD3 LYS 16 20.201 4.069 4.303 136 1HE LYS 16 HE2 LYS 16 18.738 5.187 5.970 137 2HE LYS 16 HE3 LYS 16 19.023 3.855 7.107 138 1HZ LYS 16 HZ1 LYS 16 21.347 4.403 7.065 139 2HZ LYS 16 HZ2 LYS 16 21.078 5.643 6.012 140 3HZ LYS 16 HZ3 LYS 16 20.450 5.703 7.532 141 H GLU 17 H GLU 17 17.633 0.804 0.838 142 HA GLU 17 HA GLU 17 19.485 -1.219 0.108 143 1HB GLU 17 HB2 GLU 17 16.882 -0.325 -1.206 144 2HB GLU 17 HB3 GLU 17 17.777 -1.777 -1.671 145 1HG GLU 17 HG2 GLU 17 16.667 -1.271 1.132 146 2HG GLU 17 HG3 GLU 17 15.905 -2.270 -0.109 147 H ARG 18 H ARG 18 18.439 1.693 -1.719 148 HA ARG 18 HA ARG 18 20.005 1.228 -4.016 149 1HB ARG 18 HB2 ARG 18 18.205 2.862 -3.883 150 2HB ARG 18 HB3 ARG 18 19.092 3.817 -2.699 151 1HG ARG 18 HG2 ARG 18 19.057 4.830 -4.918 152 2HG ARG 18 HG3 ARG 18 20.701 4.532 -4.357 153 1HD ARG 18 HD2 ARG 18 19.225 2.630 -6.236 154 2HD ARG 18 HD3 ARG 18 20.196 4.002 -6.818 155 HE ARG 18 HE ARG 18 21.897 2.784 -5.085 156 1HH1 ARG 18 HH21 ARG 18 20.278 1.520 -7.969 157 2HH1 ARG 18 HH22 ARG 18 21.234 0.057 -7.973 158 1HH2 ARG 18 HH11 ARG 18 22.906 0.975 -4.966 159 2HH2 ARG 18 HH12 ARG 18 22.882 -0.275 -6.189 160 H ASN 19 H ASN 19 20.797 3.067 -1.020 161 HA ASN 19 HA ASN 19 23.437 3.786 -1.747 162 1HB ASN 19 HB2 ASN 19 22.269 3.208 1.008 163 2HB ASN 19 HB3 ASN 19 23.845 3.954 0.717 164 1HD2 ASN 19 HD22 ASN 19 21.962 5.294 2.256 165 2HD2 ASN 19 HD21 ASN 19 21.404 6.690 1.346 166 H LYS 20 H LYS 20 22.283 0.843 -0.047 167 HA LYS 20 HA LYS 20 24.963 -0.168 0.361 168 1HB LYS 20 HB2 LYS 20 22.212 -1.437 0.607 169 2HB LYS 20 HB3 LYS 20 23.707 -2.242 1.090 170 1HG LYS 20 HG2 LYS 20 22.782 0.422 2.264 171 2HG LYS 20 HG3 LYS 20 22.405 -1.162 2.950 172 1HD LYS 20 HD2 LYS 20 24.859 -1.641 3.146 173 2HD LYS 20 HD3 LYS 20 25.204 0.004 2.572 174 1HE LYS 20 HE2 LYS 20 23.929 0.945 4.484 175 2HE LYS 20 HE3 LYS 20 23.601 -0.698 5.072 176 1HZ LYS 20 HZ1 LYS 20 25.953 -1.016 5.310 177 2HZ LYS 20 HZ2 LYS 20 26.259 0.510 4.766 178 3HZ LYS 20 HZ3 LYS 20 25.452 0.286 6.185 179 H GLY 21 H GLY 21 22.416 -0.917 -2.039 180 1HA GLY 21 HA2 GLY 21 23.696 -3.319 -2.971 181 2HA GLY 21 HA3 GLY 21 22.305 -2.490 -3.677 182 H GLN 22 H GLN 22 25.796 -1.739 -3.246 183 HA GLN 22 HA GLN 22 26.128 -1.408 -6.171 184 1HB GLN 22 HB2 GLN 22 25.624 0.835 -5.308 185 2HB GLN 22 HB3 GLN 22 26.831 0.649 -4.032 186 1HG GLN 22 HG2 GLN 22 27.647 2.090 -5.812 187 2HG GLN 22 HG3 GLN 22 28.649 0.647 -5.707 188 1HE2 GLN 22 HE22 GLN 22 28.283 -1.078 -7.381 189 2HE2 GLN 22 HE21 GLN 22 27.672 -0.566 -8.953 Start of MODEL 22 1 1H PHE 1 H1 PHE 1 1.317 7.673 -1.864 2 2H PHE 1 H2 PHE 1 -0.174 7.893 -1.189 3 3H PHE 1 H3 PHE 1 0.448 6.377 -1.327 4 HA PHE 1 HA PHE 1 2.182 6.877 0.195 5 1HB PHE 1 HB2 PHE 1 2.259 9.285 -0.429 6 2HB PHE 1 HB3 PHE 1 0.791 9.556 0.501 7 HD1 PHE 1 HD1 PHE 1 0.842 9.166 3.041 8 HD2 PHE 1 HD2 PHE 1 4.402 9.270 0.601 9 HE1 PHE 1 HE1 PHE 1 2.198 9.691 5.036 10 HE2 PHE 1 HE2 PHE 1 5.744 9.849 2.597 11 HZ PHE 1 HZ PHE 1 4.644 10.109 4.807 12 H VAL 2 H VAL 2 1.433 5.339 1.546 13 HA VAL 2 HA VAL 2 -1.341 5.501 2.535 14 HB VAL 2 HB VAL 2 0.592 3.168 2.527 15 1HG1 VAL 2 HG11 VAL 2 -2.438 3.284 2.914 16 2HG1 VAL 2 HG12 VAL 2 -1.437 1.821 2.892 17 3HG1 VAL 2 HG13 VAL 2 -1.263 2.989 4.209 18 1HG2 VAL 2 HG21 VAL 2 0.104 3.821 0.213 19 2HG2 VAL 2 HG22 VAL 2 -0.795 2.358 0.618 20 3HG2 VAL 2 HG23 VAL 2 -1.632 3.923 0.581 21 HA PRO 3 HA PRO 3 0.485 6.240 6.655 22 1HB PRO 3 HB2 PRO 3 -1.758 6.609 8.115 23 2HB PRO 3 HB3 PRO 3 -1.281 7.777 6.855 24 1HG PRO 3 HG2 PRO 3 -3.263 5.498 6.577 25 2HG PRO 3 HG3 PRO 3 -3.518 7.218 6.161 26 1HD PRO 3 HD2 PRO 3 -2.762 5.345 4.313 27 2HD PRO 3 HD3 PRO 3 -2.177 7.034 4.221 28 H ILE 4 H ILE 4 0.961 3.812 5.897 29 HA ILE 4 HA ILE 4 -0.348 1.818 7.626 30 HB ILE 4 HB ILE 4 1.912 0.558 6.928 31 1HG1 ILE 4 HG12 ILE 4 1.541 2.217 4.424 32 2HG1 ILE 4 HG13 ILE 4 2.672 2.789 5.646 33 1HG2 ILE 4 HG21 ILE 4 -0.329 -0.202 6.426 34 2HG2 ILE 4 HG22 ILE 4 -0.477 0.970 5.106 35 3HG2 ILE 4 HG23 ILE 4 0.688 -0.364 4.991 36 1HD1 ILE 4 HD11 ILE 4 2.832 0.091 4.273 37 2HD1 ILE 4 HD12 ILE 4 3.858 1.516 4.011 38 3HD1 ILE 4 HD13 ILE 4 3.906 0.671 5.570 39 H PHE 5 H PHE 5 3.073 2.602 7.457 40 HA PHE 5 HA PHE 5 3.148 3.240 10.381 41 1HB PHE 5 HB2 PHE 5 5.568 2.460 8.779 42 2HB PHE 5 HB3 PHE 5 5.291 2.290 10.503 43 HD1 PHE 5 HD1 PHE 5 2.901 0.656 10.769 44 HD2 PHE 5 HD2 PHE 5 5.994 0.420 7.765 45 HE1 PHE 5 HE1 PHE 5 2.200 -1.657 10.216 46 HE2 PHE 5 HE2 PHE 5 5.279 -1.883 7.213 47 HZ PHE 5 HZ PHE 5 3.371 -2.919 8.416 48 H THR 6 H THR 6 2.361 4.811 7.994 49 HA THR 6 HA THR 6 2.714 6.791 6.949 50 HB THR 6 HB THR 6 5.268 7.218 8.567 51 HG1 THR 6 HG1 THR 6 3.519 6.932 9.950 52 1HG2 THR 6 HG21 THR 6 3.383 9.123 7.135 53 2HG2 THR 6 HG22 THR 6 4.779 9.577 8.131 54 3HG2 THR 6 HG23 THR 6 5.034 8.679 6.625 55 H TYR 7 H TYR 7 3.019 5.872 4.900 56 HA TYR 7 HA TYR 7 4.987 4.223 4.071 57 1HB TYR 7 HB2 TYR 7 3.032 4.740 2.763 58 2HB TYR 7 HB3 TYR 7 3.601 6.388 2.459 59 HD1 TYR 7 HD1 TYR 7 4.717 2.808 2.079 60 HD2 TYR 7 HD2 TYR 7 4.639 6.753 0.350 61 HE1 TYR 7 HE1 TYR 7 6.251 2.052 0.287 62 HE2 TYR 7 HE2 TYR 7 6.000 5.943 -1.547 63 HH TYR 7 HH TYR 7 7.747 2.835 -1.269 64 H GLY 8 H GLY 8 5.453 7.680 4.450 65 1HA GLY 8 HA2 GLY 8 7.831 8.263 3.164 66 2HA GLY 8 HA3 GLY 8 7.410 8.823 4.788 67 H GLU 9 H GLU 9 7.401 6.289 6.128 68 HA GLU 9 HA GLU 9 10.112 5.905 6.858 69 1HB GLU 9 HB2 GLU 9 8.087 5.300 8.216 70 2HB GLU 9 HB3 GLU 9 7.738 3.995 7.078 71 1HG GLU 9 HG2 GLU 9 9.983 2.975 7.648 72 2HG GLU 9 HG3 GLU 9 10.206 4.255 8.851 73 H LEU 10 H LEU 10 7.970 4.138 4.568 74 HA LEU 10 HA LEU 10 10.018 2.150 3.970 75 1HB LEU 10 HB2 LEU 10 7.425 2.734 2.524 76 2HB LEU 10 HB3 LEU 10 8.487 1.345 2.280 77 HG LEU 10 HG LEU 10 6.744 1.977 4.688 78 1HD1 LEU 10 HD11 LEU 10 7.019 -0.478 2.892 79 2HD1 LEU 10 HD12 LEU 10 5.823 -0.251 4.180 80 3HD1 LEU 10 HD13 LEU 10 5.768 0.765 2.725 81 1HD2 LEU 10 HD21 LEU 10 8.967 -0.107 4.518 82 2HD2 LEU 10 HD22 LEU 10 8.834 1.222 5.697 83 3HD2 LEU 10 HD23 LEU 10 7.676 -0.107 5.737 84 H GLN 11 H GLN 11 8.846 5.192 2.467 85 HA GLN 11 HA GLN 11 10.551 5.080 0.162 86 1HB GLN 11 HB2 GLN 11 9.523 7.375 1.850 87 2HB GLN 11 HB3 GLN 11 10.648 7.664 0.530 88 1HG GLN 11 HG2 GLN 11 8.090 6.086 0.149 89 2HG GLN 11 HG3 GLN 11 8.136 7.849 0.012 90 1HE2 GLN 11 HE22 GLN 11 8.065 5.231 -1.984 91 2HE2 GLN 11 HE21 GLN 11 9.025 5.909 -3.294 92 H ARG 12 H ARG 12 11.251 6.338 3.481 93 HA ARG 12 HA ARG 12 13.937 6.947 2.944 94 1HB ARG 12 HB2 ARG 12 12.631 7.629 4.950 95 2HB ARG 12 HB3 ARG 12 12.844 6.015 5.644 96 1HG ARG 12 HG2 ARG 12 15.221 7.630 4.667 97 2HG ARG 12 HG3 ARG 12 14.494 8.008 6.226 98 1HD ARG 12 HD2 ARG 12 15.006 5.915 7.176 99 2HD ARG 12 HD3 ARG 12 15.424 5.154 5.654 100 HE ARG 12 HE ARG 12 17.126 6.750 7.317 101 1HH1 ARG 12 HH21 ARG 12 16.536 5.845 3.917 102 2HH1 ARG 12 HH22 ARG 12 18.142 6.277 3.405 103 1HH2 ARG 12 HH11 ARG 12 19.237 7.239 6.631 104 2HH2 ARG 12 HH12 ARG 12 19.706 7.042 4.966 105 H MET 13 H MET 13 12.535 3.882 4.198 106 HA MET 13 HA MET 13 14.931 2.441 4.418 107 1HB MET 13 HB2 MET 13 12.735 1.666 5.261 108 2HB MET 13 HB3 MET 13 12.201 1.377 3.595 109 1HG MET 13 HG2 MET 13 12.906 -0.702 4.631 110 2HG MET 13 HG3 MET 13 13.982 -0.301 3.293 111 1HE MET 13 HE1 MET 13 15.772 -2.039 3.994 112 2HE MET 13 HE2 MET 13 16.381 -2.223 5.655 113 3HE MET 13 HE3 MET 13 14.675 -2.572 5.294 114 H GLN 14 H GLN 14 12.761 2.772 1.590 115 HA GLN 14 HA GLN 14 14.208 1.193 -0.251 116 1HB GLN 14 HB2 GLN 14 12.450 3.634 -0.643 117 2HB GLN 14 HB3 GLN 14 13.098 2.681 -1.978 118 1HG GLN 14 HG2 GLN 14 11.801 0.798 -1.476 119 2HG GLN 14 HG3 GLN 14 11.538 1.267 0.200 120 1HE2 GLN 14 HE22 GLN 14 11.114 3.392 -2.674 121 2HE2 GLN 14 HE21 GLN 14 9.393 3.617 -2.428 122 H GLU 15 H GLU 15 14.579 4.705 0.588 123 HA GLU 15 HA GLU 15 16.626 5.211 -1.318 124 1HB GLU 15 HB2 GLU 15 16.053 6.504 1.373 125 2HB GLU 15 HB3 GLU 15 17.274 7.089 0.239 126 1HG GLU 15 HG2 GLU 15 15.629 7.521 -1.471 127 2HG GLU 15 HG3 GLU 15 14.348 6.739 -0.545 128 H LYS 16 H LYS 16 16.986 4.183 2.155 129 HA LYS 16 HA LYS 16 19.868 4.066 1.873 130 1HB LYS 16 HB2 LYS 16 19.907 2.671 3.896 131 2HB LYS 16 HB3 LYS 16 19.188 4.263 4.082 132 1HG LYS 16 HG2 LYS 16 16.946 3.300 4.014 133 2HG LYS 16 HG3 LYS 16 17.589 1.672 3.796 134 1HD LYS 16 HD2 LYS 16 18.069 3.517 6.195 135 2HD LYS 16 HD3 LYS 16 16.883 2.213 6.141 136 1HE LYS 16 HE2 LYS 16 19.917 1.887 6.017 137 2HE LYS 16 HE3 LYS 16 18.842 1.461 7.352 138 1HZ LYS 16 HZ1 LYS 16 18.847 0.226 4.691 139 2HZ LYS 16 HZ2 LYS 16 19.384 -0.452 6.092 140 3HZ LYS 16 HZ3 LYS 16 17.778 -0.128 5.894 141 H GLU 17 H GLU 17 17.307 1.644 1.323 142 HA GLU 17 HA GLU 17 19.031 -0.566 0.917 143 1HB GLU 17 HB2 GLU 17 16.502 -0.593 1.171 144 2HB GLU 17 HB3 GLU 17 16.385 -0.020 -0.499 145 1HG GLU 17 HG2 GLU 17 16.085 -2.428 -0.438 146 2HG GLU 17 HG3 GLU 17 17.614 -2.076 -1.251 147 H ARG 18 H ARG 18 17.760 1.871 -1.375 148 HA ARG 18 HA ARG 18 18.996 0.954 -3.736 149 1HB ARG 18 HB2 ARG 18 17.242 2.805 -3.350 150 2HB ARG 18 HB3 ARG 18 18.586 3.888 -3.015 151 1HG ARG 18 HG2 ARG 18 17.970 2.356 -5.585 152 2HG ARG 18 HG3 ARG 18 17.768 4.087 -5.306 153 1HD ARG 18 HD2 ARG 18 20.372 2.549 -5.569 154 2HD ARG 18 HD3 ARG 18 19.715 3.783 -6.650 155 HE ARG 18 HE ARG 18 19.971 5.011 -4.136 156 1HH1 ARG 18 HH21 ARG 18 22.066 3.573 -6.610 157 2HH1 ARG 18 HH22 ARG 18 23.472 4.500 -6.111 158 1HH2 ARG 18 HH11 ARG 18 21.878 6.198 -3.505 159 2HH2 ARG 18 HH12 ARG 18 23.379 5.905 -4.365 160 H ASN 19 H ASN 19 20.167 3.332 -1.280 161 HA ASN 19 HA ASN 19 22.716 3.704 -2.444 162 1HB ASN 19 HB2 ASN 19 21.793 5.178 -0.722 163 2HB ASN 19 HB3 ASN 19 21.960 3.898 0.492 164 1HD2 ASN 19 HD22 ASN 19 24.059 3.436 1.352 165 2HD2 ASN 19 HD21 ASN 19 25.455 4.411 0.931 166 H LYS 20 H LYS 20 21.652 1.207 -0.097 167 HA LYS 20 HA LYS 20 24.229 0.019 0.263 168 1HB LYS 20 HB2 LYS 20 22.421 -0.425 1.772 169 2HB LYS 20 HB3 LYS 20 21.419 -1.145 0.513 170 1HG LYS 20 HG2 LYS 20 24.153 -2.309 0.999 171 2HG LYS 20 HG3 LYS 20 22.901 -2.616 2.202 172 1HD LYS 20 HD2 LYS 20 21.490 -3.766 0.749 173 2HD LYS 20 HD3 LYS 20 22.233 -3.139 -0.715 174 1HE LYS 20 HE2 LYS 20 23.632 -5.040 1.217 175 2HE LYS 20 HE3 LYS 20 22.784 -5.529 -0.260 176 1HZ LYS 20 HZ1 LYS 20 24.283 -4.151 -1.516 177 2HZ LYS 20 HZ2 LYS 20 25.108 -3.736 -0.159 178 3HZ LYS 20 HZ3 LYS 20 25.102 -5.303 -0.667 179 H GLY 21 H GLY 21 21.669 -0.440 -2.189 180 1HA GLY 21 HA2 GLY 21 23.034 -2.543 -3.652 181 2HA GLY 21 HA3 GLY 21 21.648 -1.574 -4.173 182 H GLN 22 H GLN 22 25.093 -0.930 -3.365 183 HA GLN 22 HA GLN 22 25.582 0.168 -6.089 184 1HB GLN 22 HB2 GLN 22 26.317 1.502 -3.448 185 2HB GLN 22 HB3 GLN 22 26.987 1.959 -5.023 186 1HG GLN 22 HG2 GLN 22 24.744 2.492 -5.877 187 2HG GLN 22 HG3 GLN 22 24.018 2.055 -4.326 188 1HE2 GLN 22 HE22 GLN 22 25.342 3.180 -2.403 189 2HE2 GLN 22 HE21 GLN 22 25.366 4.929 -2.541 Start of MODEL 23 1 1H PHE 1 H1 PHE 1 -0.074 7.812 -2.563 2 2H PHE 1 H2 PHE 1 1.535 7.866 -2.948 3 3H PHE 1 H3 PHE 1 0.920 8.835 -1.754 4 HA PHE 1 HA PHE 1 1.023 5.921 -1.682 5 1HB PHE 1 HB2 PHE 1 2.741 6.145 0.017 6 2HB PHE 1 HB3 PHE 1 3.246 6.949 -1.457 7 HD1 PHE 1 HD1 PHE 1 2.194 7.437 2.064 8 HD2 PHE 1 HD2 PHE 1 3.535 9.386 -1.542 9 HE1 PHE 1 HE1 PHE 1 2.599 9.515 3.340 10 HE2 PHE 1 HE2 PHE 1 3.981 11.453 -0.248 11 HZ PHE 1 HZ PHE 1 3.509 11.524 2.191 12 H VAL 2 H VAL 2 0.885 5.313 0.821 13 HA VAL 2 HA VAL 2 -1.091 6.950 2.255 14 HB VAL 2 HB VAL 2 -2.180 4.753 2.984 15 1HG1 VAL 2 HG11 VAL 2 -3.280 6.372 1.477 16 2HG1 VAL 2 HG12 VAL 2 -2.543 5.574 0.072 17 3HG1 VAL 2 HG13 VAL 2 -3.713 4.701 1.079 18 1HG2 VAL 2 HG21 VAL 2 -0.448 3.197 2.048 19 2HG2 VAL 2 HG22 VAL 2 -2.091 2.838 1.502 20 3HG2 VAL 2 HG23 VAL 2 -0.958 3.652 0.410 21 HA PRO 3 HA PRO 3 2.008 6.140 5.286 22 1HB PRO 3 HB2 PRO 3 0.814 6.864 7.614 23 2HB PRO 3 HB3 PRO 3 1.056 8.012 6.276 24 1HG PRO 3 HG2 PRO 3 -1.446 6.394 6.864 25 2HG PRO 3 HG3 PRO 3 -1.323 8.169 6.667 26 1HD PRO 3 HD2 PRO 3 -2.015 6.561 4.584 27 2HD PRO 3 HD3 PRO 3 -0.941 7.971 4.337 28 H ILE 4 H ILE 4 1.139 3.713 4.391 29 HA ILE 4 HA ILE 4 -0.337 2.022 5.967 30 HB ILE 4 HB ILE 4 1.620 0.273 5.061 31 1HG1 ILE 4 HG12 ILE 4 2.223 0.854 2.814 32 2HG1 ILE 4 HG13 ILE 4 1.512 2.454 2.950 33 1HG2 ILE 4 HG21 ILE 4 -0.756 1.403 3.557 34 2HG2 ILE 4 HG22 ILE 4 0.084 -0.118 3.182 35 3HG2 ILE 4 HG23 ILE 4 -0.763 0.065 4.725 36 1HD1 ILE 4 HD11 ILE 4 3.988 2.389 3.038 37 2HD1 ILE 4 HD12 ILE 4 3.293 3.172 4.447 38 3HD1 ILE 4 HD13 ILE 4 3.909 1.496 4.563 39 H PHE 5 H PHE 5 3.140 2.411 6.245 40 HA PHE 5 HA PHE 5 3.034 1.431 9.083 41 1HB PHE 5 HB2 PHE 5 5.435 1.371 7.256 42 2HB PHE 5 HB3 PHE 5 5.237 0.537 8.793 43 HD1 PHE 5 HD1 PHE 5 2.610 -0.852 8.412 44 HD2 PHE 5 HD2 PHE 5 5.885 -0.270 5.656 45 HE1 PHE 5 HE1 PHE 5 1.816 -2.761 7.055 46 HE2 PHE 5 HE2 PHE 5 5.074 -2.173 4.300 47 HZ PHE 5 HZ PHE 5 3.033 -3.416 4.985 48 H THR 6 H THR 6 2.567 4.099 7.828 49 HA THR 6 HA THR 6 2.988 6.246 8.430 50 HB THR 6 HB THR 6 5.819 5.700 9.345 51 HG1 THR 6 HG1 THR 6 4.609 4.413 10.617 52 1HG2 THR 6 HG21 THR 6 3.772 7.846 10.040 53 2HG2 THR 6 HG22 THR 6 5.383 7.676 10.761 54 3HG2 THR 6 HG23 THR 6 5.229 8.074 9.044 55 H TYR 7 H TYR 7 4.969 4.202 6.489 56 HA TYR 7 HA TYR 7 5.613 4.357 4.380 57 1HB TYR 7 HB2 TYR 7 3.671 5.635 3.811 58 2HB TYR 7 HB3 TYR 7 4.409 7.146 4.332 59 HD1 TYR 7 HD1 TYR 7 4.824 4.334 1.885 60 HD2 TYR 7 HD2 TYR 7 5.659 8.460 2.822 61 HE1 TYR 7 HE1 TYR 7 5.733 4.670 -0.393 62 HE2 TYR 7 HE2 TYR 7 6.448 8.820 0.499 63 HH TYR 7 HH TYR 7 7.168 6.150 -1.605 64 H GLY 8 H GLY 8 6.416 7.366 6.080 65 1HA GLY 8 HA2 GLY 8 8.777 8.091 4.828 66 2HA GLY 8 HA3 GLY 8 8.509 8.272 6.571 67 H GLU 9 H GLU 9 8.461 5.664 7.463 68 HA GLU 9 HA GLU 9 11.269 5.061 7.555 69 1HB GLU 9 HB2 GLU 9 10.446 2.913 8.711 70 2HB GLU 9 HB3 GLU 9 10.276 4.477 9.502 71 1HG GLU 9 HG2 GLU 9 8.310 3.069 9.847 72 2HG GLU 9 HG3 GLU 9 7.892 4.564 9.031 73 H LEU 10 H LEU 10 8.573 3.686 5.672 74 HA LEU 10 HA LEU 10 10.052 1.483 4.632 75 1HB LEU 10 HB2 LEU 10 7.585 1.616 4.621 76 2HB LEU 10 HB3 LEU 10 7.649 2.969 3.488 77 HG LEU 10 HG LEU 10 8.688 1.512 1.773 78 1HD1 LEU 10 HD11 LEU 10 8.600 -0.970 2.126 79 2HD1 LEU 10 HD12 LEU 10 9.808 -0.183 3.143 80 3HD1 LEU 10 HD13 LEU 10 8.254 -0.690 3.845 81 1HD2 LEU 10 HD21 LEU 10 6.649 0.219 1.289 82 2HD2 LEU 10 HD22 LEU 10 6.086 0.456 2.956 83 3HD2 LEU 10 HD23 LEU 10 6.250 1.846 1.861 84 H GLN 11 H GLN 11 9.444 4.821 3.446 85 HA GLN 11 HA GLN 11 11.037 4.565 1.089 86 1HB GLN 11 HB2 GLN 11 10.190 6.954 2.761 87 2HB GLN 11 HB3 GLN 11 11.242 7.140 1.362 88 1HG GLN 11 HG2 GLN 11 8.451 5.928 1.360 89 2HG GLN 11 HG3 GLN 11 8.906 7.526 0.744 90 1HE2 GLN 11 HE22 GLN 11 11.333 6.827 -0.658 91 2HE2 GLN 11 HE21 GLN 11 10.920 5.730 -1.961 92 H ARG 12 H ARG 12 11.970 5.432 4.455 93 HA ARG 12 HA ARG 12 14.704 5.961 3.726 94 1HB ARG 12 HB2 ARG 12 13.417 5.169 6.355 95 2HB ARG 12 HB3 ARG 12 15.157 5.467 6.168 96 1HG ARG 12 HG2 ARG 12 14.765 7.691 5.286 97 2HG ARG 12 HG3 ARG 12 13.019 7.455 5.297 98 1HD ARG 12 HD2 ARG 12 13.709 8.796 7.271 99 2HD ARG 12 HD3 ARG 12 12.984 7.261 7.735 100 HE ARG 12 HE ARG 12 14.933 6.598 8.708 101 1HH1 ARG 12 HH21 ARG 12 15.681 9.265 6.522 102 2HH1 ARG 12 HH22 ARG 12 17.341 9.413 7.032 103 1HH2 ARG 12 HH11 ARG 12 17.094 6.769 9.388 104 2HH2 ARG 12 HH12 ARG 12 18.158 7.960 8.691 105 H MET 13 H MET 13 13.138 2.918 4.872 106 HA MET 13 HA MET 13 15.509 1.334 4.713 107 1HB MET 13 HB2 MET 13 12.573 0.593 4.374 108 2HB MET 13 HB3 MET 13 13.891 -0.587 4.455 109 1HG MET 13 HG2 MET 13 13.243 1.423 6.645 110 2HG MET 13 HG3 MET 13 12.768 -0.275 6.633 111 1HE MET 13 HE1 MET 13 14.260 1.218 9.028 112 2HE MET 13 HE2 MET 13 13.751 -0.489 9.073 113 3HE MET 13 HE3 MET 13 15.419 -0.046 9.504 114 H GLN 14 H GLN 14 13.041 2.086 2.256 115 HA GLN 14 HA GLN 14 14.134 0.658 0.081 116 1HB GLN 14 HB2 GLN 14 11.906 1.719 0.191 117 2HB GLN 14 HB3 GLN 14 12.668 3.310 0.171 118 1HG GLN 14 HG2 GLN 14 13.588 2.764 -2.123 119 2HG GLN 14 HG3 GLN 14 12.544 1.329 -2.112 120 1HE2 GLN 14 HE22 GLN 14 10.175 2.087 -1.074 121 2HE2 GLN 14 HE21 GLN 14 9.538 3.569 -1.768 122 H GLU 15 H GLU 15 14.819 4.057 1.195 123 HA GLU 15 HA GLU 15 16.673 4.670 -0.846 124 1HB GLU 15 HB2 GLU 15 15.612 6.274 0.718 125 2HB GLU 15 HB3 GLU 15 16.622 5.682 2.037 126 1HG GLU 15 HG2 GLU 15 17.690 6.906 -0.553 127 2HG GLU 15 HG3 GLU 15 17.392 7.818 0.932 128 H LYS 16 H LYS 16 17.205 3.299 2.429 129 HA LYS 16 HA LYS 16 20.015 2.985 2.252 130 1HB LYS 16 HB2 LYS 16 17.904 1.424 3.784 131 2HB LYS 16 HB3 LYS 16 19.650 1.202 3.997 132 1HG LYS 16 HG2 LYS 16 19.950 3.459 4.777 133 2HG LYS 16 HG3 LYS 16 18.335 3.938 4.277 134 1HD LYS 16 HD2 LYS 16 18.437 3.637 6.709 135 2HD LYS 16 HD3 LYS 16 17.273 2.551 5.949 136 1HE LYS 16 HE2 LYS 16 18.573 1.418 7.720 137 2HE LYS 16 HE3 LYS 16 18.823 0.656 6.148 138 1HZ LYS 16 HZ1 LYS 16 20.887 1.849 5.967 139 2HZ LYS 16 HZ2 LYS 16 20.644 2.581 7.425 140 3HZ LYS 16 HZ3 LYS 16 20.865 0.950 7.347 141 H GLU 17 H GLU 17 17.388 0.685 1.408 142 HA GLU 17 HA GLU 17 18.977 -1.480 0.595 143 1HB GLU 17 HB2 GLU 17 16.516 -1.518 0.942 144 2HB GLU 17 HB3 GLU 17 16.292 -0.571 -0.536 145 1HG GLU 17 HG2 GLU 17 17.332 -2.416 -1.857 146 2HG GLU 17 HG3 GLU 17 17.539 -3.348 -0.364 147 H ARG 18 H ARG 18 17.655 1.213 -1.407 148 HA ARG 18 HA ARG 18 18.911 0.437 -3.842 149 1HB ARG 18 HB2 ARG 18 18.017 3.156 -2.800 150 2HB ARG 18 HB3 ARG 18 18.631 2.875 -4.439 151 1HG ARG 18 HG2 ARG 18 16.850 1.256 -4.893 152 2HG ARG 18 HG3 ARG 18 16.231 1.407 -3.247 153 1HD ARG 18 HD2 ARG 18 14.860 2.783 -4.751 154 2HD ARG 18 HD3 ARG 18 15.735 3.791 -3.604 155 HE ARG 18 HE ARG 18 16.880 4.786 -5.305 156 1HH1 ARG 18 HH21 ARG 18 15.490 1.792 -6.553 157 2HH1 ARG 18 HH22 ARG 18 15.924 2.106 -8.212 158 1HH2 ARG 18 HH11 ARG 18 17.468 5.213 -7.460 159 2HH2 ARG 18 HH12 ARG 18 17.078 4.087 -8.731 160 H ASN 19 H ASN 19 20.034 2.675 -1.264 161 HA ASN 19 HA ASN 19 22.449 3.474 -2.461 162 1HB ASN 19 HB2 ASN 19 21.619 4.586 -0.483 163 2HB ASN 19 HB3 ASN 19 21.714 3.098 0.465 164 1HD2 ASN 19 HD22 ASN 19 23.804 5.366 -1.421 165 2HD2 ASN 19 HD21 ASN 19 25.216 5.099 -0.413 166 H LYS 20 H LYS 20 21.909 0.690 -0.215 167 HA LYS 20 HA LYS 20 24.645 -0.209 -0.442 168 1HB LYS 20 HB2 LYS 20 22.126 -1.676 0.438 169 2HB LYS 20 HB3 LYS 20 23.766 -2.292 0.626 170 1HG LYS 20 HG2 LYS 20 22.568 0.176 1.960 171 2HG LYS 20 HG3 LYS 20 22.993 -1.350 2.726 172 1HD LYS 20 HD2 LYS 20 24.898 0.738 1.568 173 2HD LYS 20 HD3 LYS 20 24.631 0.348 3.262 174 1HE LYS 20 HE2 LYS 20 25.518 -1.964 2.876 175 2HE LYS 20 HE3 LYS 20 25.874 -1.529 1.192 176 1HZ LYS 20 HZ1 LYS 20 27.322 0.177 1.987 177 2HZ LYS 20 HZ2 LYS 20 27.012 -0.226 3.555 178 3HZ LYS 20 HZ3 LYS 20 27.779 -1.296 2.564 179 H GLY 21 H GLY 21 21.670 -0.993 -2.234 180 1HA GLY 21 HA2 GLY 21 22.663 -3.166 -3.762 181 2HA GLY 21 HA3 GLY 21 21.380 -2.039 -4.240 182 H GLN 22 H GLN 22 22.801 0.377 -4.312 183 HA GLN 22 HA GLN 22 23.929 0.335 -6.898 184 1HB GLN 22 HB2 GLN 22 22.893 2.282 -5.738 185 2HB GLN 22 HB3 GLN 22 24.322 2.406 -4.697 186 1HG GLN 22 HG2 GLN 22 25.746 2.802 -6.698 187 2HG GLN 22 HG3 GLN 22 24.317 2.680 -7.738 188 1HE2 GLN 22 HE22 GLN 22 22.393 4.200 -6.773 189 2HE2 GLN 22 HE21 GLN 22 22.942 5.839 -6.457 Start of MODEL 24 1 1H PHE 1 H1 PHE 1 -0.295 10.243 1.872 2 2H PHE 1 H2 PHE 1 -1.372 9.900 0.680 3 3H PHE 1 H3 PHE 1 0.149 10.419 0.287 4 HA PHE 1 HA PHE 1 -0.107 8.065 -0.058 5 1HB PHE 1 HB2 PHE 1 1.858 7.333 1.307 6 2HB PHE 1 HB3 PHE 1 2.107 8.804 0.383 7 HD1 PHE 1 HD1 PHE 1 2.930 10.754 1.442 8 HD2 PHE 1 HD2 PHE 1 1.261 7.592 3.859 9 HE1 PHE 1 HE1 PHE 1 3.717 11.894 3.495 10 HE2 PHE 1 HE2 PHE 1 2.013 8.762 5.903 11 HZ PHE 1 HZ PHE 1 3.258 10.904 5.728 12 H VAL 2 H VAL 2 -0.350 5.936 0.898 13 HA VAL 2 HA VAL 2 -2.208 5.844 3.176 14 HB VAL 2 HB VAL 2 -0.973 3.593 1.542 15 1HG1 VAL 2 HG11 VAL 2 -1.773 2.901 3.806 16 2HG1 VAL 2 HG12 VAL 2 -3.352 3.632 3.459 17 3HG1 VAL 2 HG13 VAL 2 -2.788 2.237 2.517 18 1HG2 VAL 2 HG21 VAL 2 -3.215 3.478 0.461 19 2HG2 VAL 2 HG22 VAL 2 -3.690 4.965 1.307 20 3HG2 VAL 2 HG23 VAL 2 -2.391 4.998 0.096 21 HA PRO 3 HA PRO 3 1.618 5.616 5.557 22 1HB PRO 3 HB2 PRO 3 0.682 5.720 8.106 23 2HB PRO 3 HB3 PRO 3 0.474 7.073 6.967 24 1HG PRO 3 HG2 PRO 3 -1.534 4.880 7.565 25 2HG PRO 3 HG3 PRO 3 -1.795 6.648 7.655 26 1HD PRO 3 HD2 PRO 3 -2.457 5.218 5.431 27 2HD PRO 3 HD3 PRO 3 -1.762 6.862 5.294 28 H ILE 4 H ILE 4 1.173 3.218 4.370 29 HA ILE 4 HA ILE 4 0.163 1.101 5.793 30 HB ILE 4 HB ILE 4 2.104 -0.227 4.385 31 1HG1 ILE 4 HG12 ILE 4 2.394 0.802 2.215 32 2HG1 ILE 4 HG13 ILE 4 1.636 2.299 2.742 33 1HG2 ILE 4 HG21 ILE 4 -0.448 0.963 3.259 34 2HG2 ILE 4 HG22 ILE 4 0.427 -0.442 2.620 35 3HG2 ILE 4 HG23 ILE 4 -0.317 -0.525 4.222 36 1HD1 ILE 4 HD11 ILE 4 3.540 2.845 4.117 37 2HD1 ILE 4 HD12 ILE 4 4.221 1.197 3.919 38 3HD1 ILE 4 HD13 ILE 4 4.140 2.319 2.550 39 H PHE 5 H PHE 5 3.556 1.979 5.779 40 HA PHE 5 HA PHE 5 3.843 0.862 8.532 41 1HB PHE 5 HB2 PHE 5 6.092 0.929 6.503 42 2HB PHE 5 HB3 PHE 5 6.070 0.131 8.069 43 HD1 PHE 5 HD1 PHE 5 3.624 -1.507 8.032 44 HD2 PHE 5 HD2 PHE 5 6.438 -0.699 4.863 45 HE1 PHE 5 HE1 PHE 5 2.885 -3.548 6.848 46 HE2 PHE 5 HE2 PHE 5 5.684 -2.738 3.677 47 HZ PHE 5 HZ PHE 5 3.901 -4.164 4.661 48 H THR 6 H THR 6 2.896 3.380 7.693 49 HA THR 6 HA THR 6 3.259 5.624 7.771 50 HB THR 6 HB THR 6 5.748 5.033 9.432 51 HG1 THR 6 HG1 THR 6 4.304 5.060 11.152 52 1HG2 THR 6 HG21 THR 6 5.211 7.215 10.456 53 2HG2 THR 6 HG22 THR 6 5.495 7.411 8.721 54 3HG2 THR 6 HG23 THR 6 3.835 7.414 9.354 55 H TYR 7 H TYR 7 3.587 5.165 5.512 56 HA TYR 7 HA TYR 7 5.223 4.560 3.749 57 1HB TYR 7 HB2 TYR 7 3.324 5.965 3.235 58 2HB TYR 7 HB3 TYR 7 4.150 7.374 3.905 59 HD1 TYR 7 HD1 TYR 7 5.397 8.799 2.499 60 HD2 TYR 7 HD2 TYR 7 4.514 4.782 1.201 61 HE1 TYR 7 HE1 TYR 7 6.469 9.269 0.326 62 HE2 TYR 7 HE2 TYR 7 5.606 5.256 -0.978 63 HH TYR 7 HH TYR 7 7.025 8.440 -1.755 64 H GLY 8 H GLY 8 6.000 7.716 5.153 65 1HA GLY 8 HA2 GLY 8 8.361 8.362 3.873 66 2HA GLY 8 HA3 GLY 8 8.034 8.753 5.569 67 H GLU 9 H GLU 9 8.033 6.211 6.735 68 HA GLU 9 HA GLU 9 10.843 5.758 7.089 69 1HB GLU 9 HB2 GLU 9 8.489 3.996 7.914 70 2HB GLU 9 HB3 GLU 9 10.138 3.941 8.555 71 1HG GLU 9 HG2 GLU 9 8.126 6.216 8.878 72 2HG GLU 9 HG3 GLU 9 8.724 5.126 10.127 73 H LEU 10 H LEU 10 8.336 4.037 5.198 74 HA LEU 10 HA LEU 10 10.062 1.830 4.476 75 1HB LEU 10 HB2 LEU 10 7.622 1.619 4.375 76 2HB LEU 10 HB3 LEU 10 7.529 2.921 3.185 77 HG LEU 10 HG LEU 10 8.813 1.547 1.555 78 1HD1 LEU 10 HD11 LEU 10 9.056 -0.900 2.006 79 2HD1 LEU 10 HD12 LEU 10 10.104 0.081 3.033 80 3HD1 LEU 10 HD13 LEU 10 8.612 -0.616 3.702 81 1HD2 LEU 10 HD21 LEU 10 6.368 1.566 1.530 82 2HD2 LEU 10 HD22 LEU 10 6.998 -0.019 1.054 83 3HD2 LEU 10 HD23 LEU 10 6.322 0.212 2.678 84 H GLN 11 H GLN 11 9.113 4.935 2.986 85 HA GLN 11 HA GLN 11 10.568 4.628 0.579 86 1HB GLN 11 HB2 GLN 11 8.753 6.269 1.122 87 2HB GLN 11 HB3 GLN 11 9.922 7.250 2.009 88 1HG GLN 11 HG2 GLN 11 10.476 6.455 -0.883 89 2HG GLN 11 HG3 GLN 11 9.286 7.705 -0.525 90 1HE2 GLN 11 HE22 GLN 11 12.770 6.890 -0.036 91 2HE2 GLN 11 HE21 GLN 11 13.238 8.582 0.088 92 H ARG 12 H ARG 12 11.548 6.011 3.753 93 HA ARG 12 HA ARG 12 14.224 6.670 2.952 94 1HB ARG 12 HB2 ARG 12 12.914 6.130 5.634 95 2HB ARG 12 HB3 ARG 12 14.635 6.532 5.476 96 1HG ARG 12 HG2 ARG 12 14.183 8.613 4.409 97 2HG ARG 12 HG3 ARG 12 12.477 8.238 4.181 98 1HD ARG 12 HD2 ARG 12 12.760 9.811 6.092 99 2HD ARG 12 HD3 ARG 12 12.046 8.279 6.576 100 HE ARG 12 HE ARG 12 13.818 7.827 7.920 101 1HH1 ARG 12 HH11 ARG 12 14.808 10.342 5.655 102 2HH1 ARG 12 HH12 ARG 12 16.321 10.679 6.453 103 1HH2 ARG 12 HH21 ARG 12 15.787 8.233 8.974 104 2HH2 ARG 12 HH22 ARG 12 16.890 9.444 8.378 105 H MET 13 H MET 13 12.868 3.726 4.527 106 HA MET 13 HA MET 13 15.238 2.244 4.714 107 1HB MET 13 HB2 MET 13 13.174 1.537 5.730 108 2HB MET 13 HB3 MET 13 12.390 1.308 4.163 109 1HG MET 13 HG2 MET 13 14.893 -0.222 4.911 110 2HG MET 13 HG3 MET 13 13.283 -0.756 5.407 111 1HE MET 13 HE1 MET 13 15.405 -2.496 3.728 112 2HE MET 13 HE2 MET 13 13.838 -3.108 4.318 113 3HE MET 13 HE3 MET 13 14.286 -3.306 2.607 114 H GLN 14 H GLN 14 12.997 2.559 1.912 115 HA GLN 14 HA GLN 14 14.423 0.953 0.105 116 1HB GLN 14 HB2 GLN 14 12.191 1.933 -0.351 117 2HB GLN 14 HB3 GLN 14 12.927 3.531 -0.484 118 1HG GLN 14 HG2 GLN 14 14.340 2.653 -2.406 119 2HG GLN 14 HG3 GLN 14 13.378 1.169 -2.325 120 1HE2 GLN 14 HE22 GLN 14 13.006 4.784 -2.498 121 2HE2 GLN 14 HE21 GLN 14 11.630 4.713 -3.593 122 H GLU 15 H GLU 15 14.999 4.482 0.887 123 HA GLU 15 HA GLU 15 17.132 4.659 -1.043 124 1HB GLU 15 HB2 GLU 15 16.931 6.329 1.487 125 2HB GLU 15 HB3 GLU 15 17.776 6.696 -0.022 126 1HG GLU 15 HG2 GLU 15 14.832 6.718 0.558 127 2HG GLU 15 HG3 GLU 15 15.822 8.005 -0.113 128 H LYS 16 H LYS 16 17.137 3.898 2.459 129 HA LYS 16 HA LYS 16 19.965 3.658 2.743 130 1HB LYS 16 HB2 LYS 16 17.726 2.167 4.173 131 2HB LYS 16 HB3 LYS 16 19.413 2.174 4.686 132 1HG LYS 16 HG2 LYS 16 17.665 4.675 4.492 133 2HG LYS 16 HG3 LYS 16 17.952 3.733 5.958 134 1HD LYS 16 HD2 LYS 16 20.418 4.167 5.715 135 2HD LYS 16 HD3 LYS 16 20.065 5.228 4.334 136 1HE LYS 16 HE2 LYS 16 18.642 6.655 5.783 137 2HE LYS 16 HE3 LYS 16 19.005 5.609 7.170 138 1HZ LYS 16 HZ1 LYS 16 20.975 7.146 5.629 139 2HZ LYS 16 HZ2 LYS 16 20.399 7.531 7.124 140 3HZ LYS 16 HZ3 LYS 16 21.309 6.174 6.917 141 H GLU 17 H GLU 17 17.518 1.250 1.752 142 HA GLU 17 HA GLU 17 19.296 -0.942 1.454 143 1HB GLU 17 HB2 GLU 17 16.798 -0.989 1.539 144 2HB GLU 17 HB3 GLU 17 16.731 -0.364 -0.108 145 1HG GLU 17 HG2 GLU 17 18.204 -2.935 0.642 146 2HG GLU 17 HG3 GLU 17 16.483 -2.894 0.252 147 H ARG 18 H ARG 18 18.070 1.415 -0.983 148 HA ARG 18 HA ARG 18 19.617 0.530 -3.136 149 1HB ARG 18 HB2 ARG 18 17.665 2.271 -3.057 150 2HB ARG 18 HB3 ARG 18 18.903 3.436 -2.596 151 1HG ARG 18 HG2 ARG 18 18.783 3.795 -4.854 152 2HG ARG 18 HG3 ARG 18 20.108 2.632 -4.818 153 1HD ARG 18 HD2 ARG 18 17.166 2.058 -5.468 154 2HD ARG 18 HD3 ARG 18 18.494 2.162 -6.610 155 HE ARG 18 HE ARG 18 19.438 0.148 -5.855 156 1HH1 ARG 18 HH21 ARG 18 16.347 0.749 -4.163 157 2HH1 ARG 18 HH22 ARG 18 16.345 -0.857 -3.467 158 1HH2 ARG 18 HH11 ARG 18 19.351 -1.837 -4.974 159 2HH2 ARG 18 HH12 ARG 18 17.999 -2.365 -3.980 160 H ASN 19 H ASN 19 20.531 2.761 -0.549 161 HA ASN 19 HA ASN 19 22.928 3.735 -1.534 162 1HB ASN 19 HB2 ASN 19 21.701 4.165 0.724 163 2HB ASN 19 HB3 ASN 19 22.686 2.841 1.355 164 1HD2 ASN 19 HD22 ASN 19 25.195 3.463 -0.104 165 2HD2 ASN 19 HD21 ASN 19 25.730 4.988 0.578 166 H LYS 20 H LYS 20 22.270 0.459 -0.290 167 HA LYS 20 HA LYS 20 25.149 -0.267 -0.690 168 1HB LYS 20 HB2 LYS 20 24.569 -2.386 0.402 169 2HB LYS 20 HB3 LYS 20 24.542 -0.950 1.429 170 1HG LYS 20 HG2 LYS 20 22.089 -0.876 1.361 171 2HG LYS 20 HG3 LYS 20 22.044 -2.320 0.340 172 1HD LYS 20 HD2 LYS 20 23.128 -2.108 3.184 173 2HD LYS 20 HD3 LYS 20 21.588 -2.822 2.702 174 1HE LYS 20 HE2 LYS 20 24.377 -3.894 2.066 175 2HE LYS 20 HE3 LYS 20 23.171 -4.598 3.143 176 1HZ LYS 20 HZ1 LYS 20 21.748 -4.925 1.243 177 2HZ LYS 20 HZ2 LYS 20 22.895 -4.301 0.237 178 3HZ LYS 20 HZ3 LYS 20 23.190 -5.701 1.052 179 H GLY 21 H GLY 21 21.823 -1.354 -1.575 180 1HA GLY 21 HA2 GLY 21 22.848 -3.197 -3.610 181 2HA GLY 21 HA3 GLY 21 21.163 -2.825 -3.225 182 H GLN 22 H GLN 22 24.002 -0.951 -4.356 183 HA GLN 22 HA GLN 22 22.449 0.928 -5.848 184 1HB GLN 22 HB2 GLN 22 25.403 0.198 -6.046 185 2HB GLN 22 HB3 GLN 22 24.645 1.621 -6.785 186 1HG GLN 22 HG2 GLN 22 23.974 2.456 -4.561 187 2HG GLN 22 HG3 GLN 22 24.675 1.024 -3.790 188 1HE2 GLN 22 HE22 GLN 22 25.999 2.472 -2.516 189 2HE2 GLN 22 HE21 GLN 22 27.445 3.178 -3.241
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