NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636152 | 6go0 | 34279 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HT1 LYS 1 20.131 -4.783 0.643 2 H2 LYS 1 HT2 LYS 1 19.745 -5.167 -0.939 3 H3 LYS 1 HT3 LYS 1 21.311 -5.351 -0.420 4 HA LYS 1 HA LYS 1 20.205 -7.392 -0.698 5 HB2 LYS 1 HB2 LYS 1 20.524 -8.393 1.603 6 HB3 LYS 1 HB3 LYS 1 21.906 -7.549 0.954 7 HG2 LYS 1 HG2 LYS 1 20.022 -6.216 2.887 8 HG3 LYS 1 HG3 LYS 1 21.323 -7.255 3.448 9 HD2 LYS 1 HD2 LYS 1 21.674 -4.778 1.750 10 HD3 LYS 1 HD3 LYS 1 21.938 -4.871 3.491 11 HE2 LYS 1 HE2 LYS 1 23.460 -6.394 1.362 12 HE3 LYS 1 HE3 LYS 1 24.038 -5.016 2.277 13 HZ1 LYS 1 HZ1 LYS 1 23.981 -6.284 4.279 14 HZ2 LYS 1 HZ2 LYS 1 24.837 -7.182 3.144 15 HZ3 LYS 1 HZ3 LYS 1 23.258 -7.588 3.527 16 H LYS 2 H LYS 2 18.491 -5.611 1.944 17 HA LYS 2 HA LYS 2 16.186 -7.189 1.142 18 HB2 LYS 2 HB2 LYS 2 17.159 -8.172 3.175 19 HB3 LYS 2 HB3 LYS 2 17.019 -6.611 3.968 20 HG2 LYS 2 HG2 LYS 2 15.216 -7.963 4.726 21 HG3 LYS 2 HG3 LYS 2 14.564 -6.731 3.651 22 HD2 LYS 2 HD2 LYS 2 13.508 -8.866 3.187 23 HD3 LYS 2 HD3 LYS 2 14.494 -8.368 1.817 24 HE2 LYS 2 HE2 LYS 2 14.772 -10.751 2.270 25 HE3 LYS 2 HE3 LYS 2 16.281 -9.894 2.550 26 HZ1 LYS 2 HZ1 LYS 2 15.818 -11.514 4.272 27 HZ2 LYS 2 HZ2 LYS 2 14.377 -10.759 4.680 28 HZ3 LYS 2 HZ3 LYS 2 15.841 -9.986 4.943 29 H LYS 3 H LYS 3 15.470 -5.438 -0.005 30 HA LYS 3 HA LYS 3 13.474 -4.023 1.199 31 HB2 LYS 3 HB2 LYS 3 15.278 -2.533 2.124 32 HB3 LYS 3 HB3 LYS 3 15.786 -2.178 0.472 33 HG2 LYS 3 HG2 LYS 3 13.742 -1.034 0.008 34 HG3 LYS 3 HG3 LYS 3 13.021 -1.615 1.507 35 HD2 LYS 3 HD2 LYS 3 13.626 0.710 1.775 36 HD3 LYS 3 HD3 LYS 3 14.682 -0.280 2.773 37 HE2 LYS 3 HE2 LYS 3 15.948 1.478 1.684 38 HE3 LYS 3 HE3 LYS 3 16.444 -0.089 1.063 39 HZ1 LYS 3 HZ1 LYS 3 16.163 1.558 -0.685 40 HZ2 LYS 3 HZ2 LYS 3 14.533 1.744 -0.323 41 HZ3 LYS 3 HZ3 LYS 3 15.148 0.250 -0.875 42 H LYS 4 H LYS 4 12.074 -3.695 -0.284 43 HA LYS 4 HA LYS 4 12.993 -3.518 -3.057 44 HB2 LYS 4 HB2 LYS 4 10.828 -4.569 -3.701 45 HB3 LYS 4 HB3 LYS 4 11.855 -5.615 -2.738 46 HG2 LYS 4 HG2 LYS 4 10.516 -5.236 -0.794 47 HG3 LYS 4 HG3 LYS 4 9.529 -4.040 -1.627 48 HD2 LYS 4 HD2 LYS 4 8.368 -6.161 -1.495 49 HD3 LYS 4 HD3 LYS 4 8.762 -5.794 -3.181 50 HE2 LYS 4 HE2 LYS 4 9.170 -8.143 -2.673 51 HE3 LYS 4 HE3 LYS 4 10.678 -7.317 -3.054 52 HZ1 LYS 4 HZ1 LYS 4 10.904 -8.774 -1.173 53 HZ2 LYS 4 HZ2 LYS 4 9.701 -7.999 -0.318 54 HZ3 LYS 4 HZ3 LYS 4 11.148 -7.202 -0.667 55 H GLN 5 H GLN 5 10.831 -2.339 -0.613 56 HA GLN 5 HA GLN 5 10.219 -0.024 -2.280 57 HB2 GLN 5 HB2 GLN 5 8.309 -1.549 -0.485 58 HB3 GLN 5 HB3 GLN 5 7.945 0.008 -1.213 59 HG2 GLN 5 HG2 GLN 5 8.030 -0.934 -3.408 60 HG3 GLN 5 HG3 GLN 5 8.575 -2.486 -2.774 61 HE21 GLN 5 HE21 GLN 5 5.889 -0.338 -3.230 62 HE22 GLN 5 HE22 GLN 5 4.643 -1.456 -2.820 63 H SER 6 H SER 6 11.041 1.693 -1.319 64 HA SER 6 HA SER 6 11.851 1.702 1.419 65 HB2 SER 6 HB2 SER 6 11.561 3.986 -0.535 66 HB3 SER 6 HB3 SER 6 12.521 3.995 0.947 67 HG SER 6 HG SER 6 13.047 3.030 -1.518 68 H TRP 7 H TRP 7 11.123 3.698 2.777 69 HA TRP 7 HA TRP 7 8.587 3.174 3.694 70 HB2 TRP 7 HB2 TRP 7 8.754 5.251 5.039 71 HB3 TRP 7 HB3 TRP 7 10.225 4.301 5.106 72 HD1 TRP 7 HD1 TRP 7 12.419 5.359 3.920 73 HE1 TRP 7 HE1 TRP 7 12.991 7.768 3.242 74 HE3 TRP 7 HE3 TRP 7 7.759 7.414 4.149 75 HZ2 TRP 7 HZ2 TRP 7 11.676 10.206 2.860 76 HZ3 TRP 7 HZ3 TRP 7 7.495 9.801 3.597 77 HH2 TRP 7 HH2 TRP 7 9.415 11.168 2.969 78 H TYR 8 H TYR 8 9.481 5.622 1.388 79 HA TYR 8 HA TYR 8 6.853 6.782 1.291 80 HB2 TYR 8 HB2 TYR 8 7.767 8.061 -0.686 81 HB3 TYR 8 HB3 TYR 8 8.648 8.277 0.821 82 HD1 TYR 8 HD1 TYR 8 8.769 6.729 -2.530 83 HD2 TYR 8 HD2 TYR 8 10.893 7.538 1.051 84 HE1 TYR 8 HE1 TYR 8 10.862 6.054 -3.630 85 HE2 TYR 8 HE2 TYR 8 12.996 6.870 -0.035 86 HH TYR 8 HH TYR 8 13.183 6.397 -3.408 87 H ALA 9 H ALA 9 8.495 4.348 -0.340 88 HA ALA 9 HA ALA 9 6.810 4.246 -2.655 89 HB1 ALA 9 HB1 ALA 9 8.003 2.138 -3.141 90 HB2 ALA 9 HB2 ALA 9 8.755 2.211 -1.548 91 HB3 ALA 9 HB3 ALA 9 9.121 3.445 -2.750 92 H ALA 10 H ALA 10 7.145 2.401 0.375 93 HA ALA 10 HA ALA 10 5.019 0.688 -0.139 94 HB1 ALA 10 HB1 ALA 10 5.236 0.117 2.232 95 HB2 ALA 10 HB2 ALA 10 6.317 1.493 2.462 96 HB3 ALA 10 HB3 ALA 10 6.812 0.144 1.438 97 H ALA 11 H ALA 11 5.351 3.640 1.815 98 HA ALA 11 HA ALA 11 2.719 3.687 2.714 99 HB1 ALA 11 HB1 ALA 11 4.469 5.088 3.648 100 HB2 ALA 11 HB2 ALA 11 3.040 6.036 3.217 101 HB3 ALA 11 HB3 ALA 11 4.477 6.073 2.186 102 H GLY 12 H GLY 12 4.013 4.889 -0.315 103 HA2 GLY 12 HA2 GLY 12 1.534 6.075 -1.083 104 HA3 GLY 12 HA3 GLY 12 2.869 5.688 -2.177 105 H ASP 13 H ASP 13 3.132 3.083 -1.986 106 HA ASP 13 HA ASP 13 1.064 2.161 -3.671 107 HB2 ASP 13 HB2 ASP 13 3.349 1.437 -3.966 108 HB3 ASP 13 HB3 ASP 13 3.374 0.738 -2.365 109 H ALA 14 H ALA 14 1.891 1.349 -0.459 110 HA ALA 14 HA ALA 14 0.060 -0.752 -0.055 111 HB1 ALA 14 HB1 ALA 14 2.020 -0.387 1.359 112 HB2 ALA 14 HB2 ALA 14 0.567 -0.408 2.378 113 HB3 ALA 14 HB3 ALA 14 1.347 1.114 1.911 114 H ILE 15 H ILE 15 -0.147 2.693 0.654 115 HA ILE 15 HA ILE 15 -2.718 2.428 1.916 116 HB ILE 15 HB ILE 15 -1.242 4.931 1.081 117 HG12 ILE 15 HG12 ILE 15 -1.581 3.682 3.815 118 HG13 ILE 15 HG13 ILE 15 -0.136 3.545 2.821 119 HG21 ILE 15 HG21 ILE 15 -3.649 5.364 1.229 120 HG22 ILE 15 HG22 ILE 15 -2.794 6.145 2.559 121 HG23 ILE 15 HG23 ILE 15 -3.682 4.645 2.841 122 HD11 ILE 15 HD11 ILE 15 0.124 5.260 4.507 123 HD12 ILE 15 HD12 ILE 15 -1.303 6.101 3.851 124 HD13 ILE 15 HD13 ILE 15 0.147 5.910 2.859 125 H VAL 16 H VAL 16 -1.629 3.582 -1.151 126 HA VAL 16 HA VAL 16 -4.214 4.240 -2.057 127 HB VAL 16 HB VAL 16 -1.790 3.493 -3.737 128 HG11 VAL 16 HG11 VAL 16 -4.409 4.703 -4.652 129 HG12 VAL 16 HG12 VAL 16 -3.842 3.065 -5.008 130 HG13 VAL 16 HG13 VAL 16 -2.973 4.459 -5.651 131 HG21 VAL 16 HG21 VAL 16 -3.049 6.161 -3.100 132 HG22 VAL 16 HG22 VAL 16 -1.668 5.913 -4.168 133 HG23 VAL 16 HG23 VAL 16 -1.532 5.544 -2.448 134 H SER 17 H SER 17 -2.456 1.266 -2.191 135 HA SER 17 HA SER 17 -4.460 -0.077 -3.704 136 HB2 SER 17 HB2 SER 17 -1.980 -0.761 -3.457 137 HB3 SER 17 HB3 SER 17 -2.485 -1.532 -1.955 138 HG SER 17 HG SER 17 -3.804 -1.934 -4.381 139 H PHE 18 H PHE 18 -3.885 0.465 -0.339 140 HA PHE 18 HA PHE 18 -5.618 -1.310 0.898 141 HB2 PHE 18 HB2 PHE 18 -3.952 0.410 1.868 142 HB3 PHE 18 HB3 PHE 18 -5.225 1.582 1.639 143 HD1 PHE 18 HD1 PHE 18 -7.609 0.528 2.681 144 HD2 PHE 18 HD2 PHE 18 -3.651 -0.162 4.004 145 HE1 PHE 18 HE1 PHE 18 -8.481 0.043 4.936 146 HE2 PHE 18 HE2 PHE 18 -4.492 -0.673 6.275 147 HZ PHE 18 HZ PHE 18 -6.910 -0.578 6.740 148 H GLY 19 H GLY 19 -6.095 1.907 -0.483 149 HA2 GLY 19 HA2 GLY 19 -8.847 2.194 0.092 150 HA3 GLY 19 HA3 GLY 19 -7.973 3.075 -1.150 151 H GLU 20 H GLU 20 -7.121 0.845 -2.677 152 HA GLU 20 HA GLU 20 -9.326 0.449 -4.377 153 HB2 GLU 20 HB2 GLU 20 -6.880 -1.301 -4.115 154 HB3 GLU 20 HB3 GLU 20 -7.938 -1.224 -5.503 155 HG2 GLU 20 HG2 GLU 20 -7.212 1.071 -5.885 156 HG3 GLU 20 HG3 GLU 20 -6.122 0.943 -4.506 157 H GLY 21 H GLY 21 -7.775 -1.510 -2.049 158 HA2 GLY 21 HA2 GLY 21 -9.292 -3.872 -2.186 159 HA3 GLY 21 HA3 GLY 21 -8.406 -3.298 -0.771 160 H PHE 22 H PHE 22 -9.635 -1.058 -0.199 161 HA PHE 22 HA PHE 22 -11.827 -1.788 1.362 162 HB2 PHE 22 HB2 PHE 22 -10.508 0.107 1.963 163 HB3 PHE 22 HB3 PHE 22 -10.816 0.882 0.421 164 HD1 PHE 22 HD1 PHE 22 -12.547 -0.275 3.487 165 HD2 PHE 22 HD2 PHE 22 -12.445 2.453 0.257 166 HE1 PHE 22 HE1 PHE 22 -14.379 1.029 4.535 167 HE2 PHE 22 HE2 PHE 22 -14.264 3.751 1.246 168 HZ PHE 22 HZ PHE 22 -15.249 3.037 3.413 169 H LEU 23 H LEU 23 -11.732 -0.520 -1.901 170 HA LEU 23 HA LEU 23 -14.477 0.224 -2.007 171 HB2 LEU 23 HB2 LEU 23 -12.581 -0.276 -4.286 172 HB3 LEU 23 HB3 LEU 23 -14.142 0.500 -4.425 173 HG LEU 23 HG LEU 23 -11.672 1.557 -3.078 174 HD11 LEU 23 HD11 LEU 23 -11.958 3.397 -4.641 175 HD12 LEU 23 HD12 LEU 23 -13.295 2.547 -5.395 176 HD13 LEU 23 HD13 LEU 23 -11.665 1.858 -5.448 177 HD21 LEU 23 HD21 LEU 23 -13.564 2.107 -1.678 178 HD22 LEU 23 HD22 LEU 23 -14.428 2.779 -3.070 179 HD23 LEU 23 HD23 LEU 23 -12.932 3.535 -2.497 180 H ASN 24 H ASN 24 -13.100 -2.783 -1.984 181 HA ASN 24 HA ASN 24 -14.607 -4.209 -3.892 182 HB2 ASN 24 HB2 ASN 24 -13.919 -6.210 -2.848 183 HB3 ASN 24 HB3 ASN 24 -12.612 -5.077 -2.592 184 HD21 ASN 24 HD21 ASN 24 -13.885 -3.675 -0.244 185 HD22 ASN 24 HD22 ASN 24 -13.809 -4.840 1.008 186 H ALA 25 H ALA 25 -15.718 -2.698 -1.103 187 HA ALA 25 HA ALA 25 -18.070 -4.440 -0.951 188 HB1 ALA 25 HB1 ALA 25 -16.764 -4.336 1.103 189 HB2 ALA 25 HB2 ALA 25 -18.361 -3.613 1.329 190 HB3 ALA 25 HB3 ALA 25 -16.935 -2.580 1.140 191 H TRP 26 H TRP 26 -17.201 -1.915 -2.583 192 HA TRP 26 HA TRP 26 -19.678 -0.448 -2.124 193 HB2 TRP 26 HB2 TRP 26 -16.981 0.656 -2.996 194 HB3 TRP 26 HB3 TRP 26 -18.491 1.557 -3.038 195 HD1 TRP 26 HD1 TRP 26 -16.016 0.023 -0.508 196 HE1 TRP 26 HE1 TRP 26 -16.278 1.252 1.729 197 HE3 TRP 26 HE3 TRP 26 -20.030 2.965 -1.670 198 HZ2 TRP 26 HZ2 TRP 26 -17.965 3.229 2.863 199 HZ3 TRP 26 HZ3 TRP 26 -20.900 4.499 0.042 200 HH2 TRP 26 HH2 TRP 26 -19.885 4.626 2.263 Start of MODEL 2 1 H1 LYS 1 HT1 LYS 1 13.132 10.701 -3.389 2 H2 LYS 1 HT2 LYS 1 14.684 10.066 -3.357 3 H3 LYS 1 HT3 LYS 1 14.474 11.724 -3.488 4 HA LYS 1 HA LYS 1 15.187 11.085 -1.334 5 HB2 LYS 1 HB2 LYS 1 13.378 12.130 0.009 6 HB3 LYS 1 HB3 LYS 1 13.778 13.032 -1.443 7 HG2 LYS 1 HG2 LYS 1 11.782 12.099 -2.550 8 HG3 LYS 1 HG3 LYS 1 11.389 11.229 -1.075 9 HD2 LYS 1 HD2 LYS 1 10.079 13.301 -1.295 10 HD3 LYS 1 HD3 LYS 1 11.134 13.336 0.119 11 HE2 LYS 1 HE2 LYS 1 12.673 14.787 -0.957 12 HE3 LYS 1 HE3 LYS 1 11.909 14.547 -2.523 13 HZ1 LYS 1 HZ1 LYS 1 11.329 16.681 -1.544 14 HZ2 LYS 1 HZ2 LYS 1 10.658 15.907 -0.199 15 HZ3 LYS 1 HZ3 LYS 1 9.980 15.692 -1.707 16 H LYS 2 H LYS 2 12.185 9.395 -2.242 17 HA LYS 2 HA LYS 2 12.349 7.804 0.168 18 HB2 LYS 2 HB2 LYS 2 10.161 8.671 -0.706 19 HB3 LYS 2 HB3 LYS 2 10.377 7.643 -2.109 20 HG2 LYS 2 HG2 LYS 2 10.485 5.689 -0.566 21 HG3 LYS 2 HG3 LYS 2 10.005 6.764 0.739 22 HD2 LYS 2 HD2 LYS 2 8.444 6.215 -1.783 23 HD3 LYS 2 HD3 LYS 2 8.085 5.571 -0.176 24 HE2 LYS 2 HE2 LYS 2 7.624 7.805 0.646 25 HE3 LYS 2 HE3 LYS 2 8.090 8.506 -0.899 26 HZ1 LYS 2 HZ1 LYS 2 5.678 8.317 -0.668 27 HZ2 LYS 2 HZ2 LYS 2 5.795 6.641 -0.531 28 HZ3 LYS 2 HZ3 LYS 2 6.242 7.404 -1.948 29 H LYS 3 H LYS 3 13.948 6.401 0.031 30 HA LYS 3 HA LYS 3 13.755 4.369 -2.071 31 HB2 LYS 3 HB2 LYS 3 16.186 4.203 -2.204 32 HB3 LYS 3 HB3 LYS 3 15.679 5.840 -2.575 33 HG2 LYS 3 HG2 LYS 3 16.356 6.543 -0.301 34 HG3 LYS 3 HG3 LYS 3 16.895 4.894 0.025 35 HD2 LYS 3 HD2 LYS 3 18.427 5.089 -1.962 36 HD3 LYS 3 HD3 LYS 3 17.978 6.788 -2.071 37 HE2 LYS 3 HE2 LYS 3 20.078 6.565 -0.901 38 HE3 LYS 3 HE3 LYS 3 18.851 7.145 0.214 39 HZ1 LYS 3 HZ1 LYS 3 18.630 4.836 1.036 40 HZ2 LYS 3 HZ2 LYS 3 20.165 5.431 1.263 41 HZ3 LYS 3 HZ3 LYS 3 19.880 4.343 0.032 42 H LYS 4 H LYS 4 12.657 4.508 0.533 43 HA LYS 4 HA LYS 4 14.387 2.730 2.113 44 HB2 LYS 4 HB2 LYS 4 13.162 3.368 4.082 45 HB3 LYS 4 HB3 LYS 4 13.771 4.801 3.277 46 HG2 LYS 4 HG2 LYS 4 11.581 5.286 2.397 47 HG3 LYS 4 HG3 LYS 4 10.946 3.780 3.064 48 HD2 LYS 4 HD2 LYS 4 12.019 6.133 4.631 49 HD3 LYS 4 HD3 LYS 4 10.329 5.668 4.479 50 HE2 LYS 4 HE2 LYS 4 10.884 3.483 5.572 51 HE3 LYS 4 HE3 LYS 4 12.521 4.065 5.830 52 HZ1 LYS 4 HZ1 LYS 4 10.053 5.233 6.984 53 HZ2 LYS 4 HZ2 LYS 4 11.620 5.852 7.194 54 HZ3 LYS 4 HZ3 LYS 4 11.237 4.337 7.775 55 H GLN 5 H GLN 5 11.706 2.540 0.140 56 HA GLN 5 HA GLN 5 10.752 0.267 1.717 57 HB2 GLN 5 HB2 GLN 5 9.192 1.731 -0.431 58 HB3 GLN 5 HB3 GLN 5 8.605 0.418 0.576 59 HG2 GLN 5 HG2 GLN 5 8.893 1.808 2.557 60 HG3 GLN 5 HG3 GLN 5 9.439 3.139 1.550 61 HE21 GLN 5 HE21 GLN 5 6.735 0.952 0.829 62 HE22 GLN 5 HE22 GLN 5 5.507 2.156 0.980 63 H SER 6 H SER 6 11.918 -1.355 1.100 64 HA SER 6 HA SER 6 12.687 -1.915 -1.570 65 HB2 SER 6 HB2 SER 6 12.435 -3.745 0.815 66 HB3 SER 6 HB3 SER 6 13.413 -4.035 -0.627 67 HG SER 6 HG SER 6 13.919 -2.502 1.578 68 H TRP 7 H TRP 7 11.985 -4.198 -2.481 69 HA TRP 7 HA TRP 7 9.392 -3.986 -3.377 70 HB2 TRP 7 HB2 TRP 7 9.599 -6.349 -4.189 71 HB3 TRP 7 HB3 TRP 7 10.964 -5.344 -4.615 72 HD1 TRP 7 HD1 TRP 7 13.289 -5.895 -3.458 73 HE1 TRP 7 HE1 TRP 7 14.178 -7.957 -2.274 74 HE3 TRP 7 HE3 TRP 7 8.857 -8.282 -2.685 75 HZ2 TRP 7 HZ2 TRP 7 13.102 -10.366 -1.136 76 HZ3 TRP 7 HZ3 TRP 7 8.848 -10.442 -1.549 77 HH2 TRP 7 HH2 TRP 7 10.960 -11.476 -0.790 78 H TYR 8 H TYR 8 10.493 -5.797 -0.623 79 HA TYR 8 HA TYR 8 7.918 -6.935 -0.111 80 HB2 TYR 8 HB2 TYR 8 8.917 -7.646 2.100 81 HB3 TYR 8 HB3 TYR 8 9.758 -8.227 0.672 82 HD1 TYR 8 HD1 TYR 8 11.989 -7.487 0.172 83 HD2 TYR 8 HD2 TYR 8 9.938 -5.936 3.547 84 HE1 TYR 8 HE1 TYR 8 14.101 -6.568 1.022 85 HE2 TYR 8 HE2 TYR 8 12.028 -5.006 4.405 86 HH TYR 8 HH TYR 8 14.460 -5.560 4.147 87 H ALA 9 H ALA 9 9.587 -4.202 0.951 88 HA ALA 9 HA ALA 9 7.851 -3.482 3.107 89 HB1 ALA 9 HB1 ALA 9 8.949 -1.244 2.965 90 HB2 ALA 9 HB2 ALA 9 9.719 -1.754 1.475 91 HB3 ALA 9 HB3 ALA 9 10.114 -2.573 2.990 92 H ALA 10 H ALA 10 8.171 -2.570 -0.265 93 HA ALA 10 HA ALA 10 6.004 -0.809 -0.359 94 HB1 ALA 10 HB1 ALA 10 7.315 -2.392 -2.560 95 HB2 ALA 10 HB2 ALA 10 7.779 -0.769 -2.040 96 HB3 ALA 10 HB3 ALA 10 6.204 -1.045 -2.787 97 H ALA 11 H ALA 11 6.359 -4.256 -1.168 98 HA ALA 11 HA ALA 11 3.839 -4.679 -2.218 99 HB1 ALA 11 HB1 ALA 11 5.651 -6.300 -2.277 100 HB2 ALA 11 HB2 ALA 11 4.110 -6.986 -1.746 101 HB3 ALA 11 HB3 ALA 11 5.387 -6.648 -0.564 102 H GLY 12 H GLY 12 4.758 -4.673 1.161 103 HA2 GLY 12 HA2 GLY 12 2.158 -5.482 2.010 104 HA3 GLY 12 HA3 GLY 12 3.383 -4.750 3.043 105 H ASP 13 H ASP 13 3.829 -2.397 1.987 106 HA ASP 13 HA ASP 13 1.718 -0.867 3.049 107 HB2 ASP 13 HB2 ASP 13 4.044 -0.239 3.260 108 HB3 ASP 13 HB3 ASP 13 4.197 -0.113 1.520 109 H ALA 14 H ALA 14 2.879 -1.220 -0.150 110 HA ALA 14 HA ALA 14 1.233 0.651 -1.464 111 HB1 ALA 14 HB1 ALA 14 2.003 -0.441 -3.547 112 HB2 ALA 14 HB2 ALA 14 2.657 -1.772 -2.559 113 HB3 ALA 14 HB3 ALA 14 3.342 -0.189 -2.416 114 H ILE 15 H ILE 15 0.875 -2.816 -0.905 115 HA ILE 15 HA ILE 15 -1.438 -2.949 -2.604 116 HB ILE 15 HB ILE 15 -0.312 -5.015 -0.710 117 HG12 ILE 15 HG12 ILE 15 -0.291 -4.815 -3.717 118 HG13 ILE 15 HG13 ILE 15 1.062 -4.434 -2.660 119 HG21 ILE 15 HG21 ILE 15 -2.737 -5.376 -0.974 120 HG22 ILE 15 HG22 ILE 15 -1.816 -6.630 -1.800 121 HG23 ILE 15 HG23 ILE 15 -2.549 -5.316 -2.729 122 HD11 ILE 15 HD11 ILE 15 1.322 -6.625 -3.609 123 HD12 ILE 15 HD12 ILE 15 -0.264 -7.096 -2.947 124 HD13 ILE 15 HD13 ILE 15 1.065 -6.676 -1.851 125 H VAL 16 H VAL 16 -0.902 -2.899 0.788 126 HA VAL 16 HA VAL 16 -3.595 -3.055 1.566 127 HB VAL 16 HB VAL 16 -1.363 -1.525 2.950 128 HG11 VAL 16 HG11 VAL 16 -4.068 -2.311 4.056 129 HG12 VAL 16 HG12 VAL 16 -3.568 -0.670 3.647 130 HG13 VAL 16 HG13 VAL 16 -2.756 -1.541 4.950 131 HG21 VAL 16 HG21 VAL 16 -2.558 -4.246 3.466 132 HG22 VAL 16 HG22 VAL 16 -1.338 -3.459 4.471 133 HG23 VAL 16 HG23 VAL 16 -0.954 -3.904 2.811 134 H SER 17 H SER 17 -1.704 -0.288 0.736 135 HA SER 17 HA SER 17 -3.767 1.655 1.060 136 HB2 SER 17 HB2 SER 17 -1.357 2.241 1.109 137 HB3 SER 17 HB3 SER 17 -1.215 1.772 -0.578 138 HG SER 17 HG SER 17 -1.478 3.848 -0.727 139 H PHE 18 H PHE 18 -2.711 -0.324 -1.594 140 HA PHE 18 HA PHE 18 -4.222 0.876 -3.688 141 HB2 PHE 18 HB2 PHE 18 -2.364 -1.147 -3.517 142 HB3 PHE 18 HB3 PHE 18 -3.834 -2.054 -3.800 143 HD1 PHE 18 HD1 PHE 18 -1.127 -0.691 -5.336 144 HD2 PHE 18 HD2 PHE 18 -5.349 -0.862 -5.759 145 HE1 PHE 18 HE1 PHE 18 -0.902 -0.178 -7.736 146 HE2 PHE 18 HE2 PHE 18 -5.134 -0.364 -8.168 147 HZ PHE 18 HZ PHE 18 -2.907 -0.019 -9.151 148 H GLY 19 H GLY 19 -4.804 -1.822 -1.486 149 HA2 GLY 19 HA2 GLY 19 -7.391 -2.489 -2.363 150 HA3 GLY 19 HA3 GLY 19 -6.700 -2.878 -0.792 151 H GLU 20 H GLU 20 -6.283 -0.361 0.260 152 HA GLU 20 HA GLU 20 -8.851 0.376 1.103 153 HB2 GLU 20 HB2 GLU 20 -6.220 1.815 1.326 154 HB3 GLU 20 HB3 GLU 20 -7.669 2.370 2.136 155 HG2 GLU 20 HG2 GLU 20 -7.772 0.172 3.305 156 HG3 GLU 20 HG3 GLU 20 -6.219 -0.230 2.569 157 H GLY 21 H GLY 21 -6.807 1.537 -1.351 158 HA2 GLY 21 HA2 GLY 21 -8.204 3.870 -2.114 159 HA3 GLY 21 HA3 GLY 21 -7.142 2.938 -3.168 160 H PHE 22 H PHE 22 -8.693 0.541 -2.854 161 HA PHE 22 HA PHE 22 -10.848 1.043 -4.691 162 HB2 PHE 22 HB2 PHE 22 -9.601 -0.997 -4.977 163 HB3 PHE 22 HB3 PHE 22 -9.916 -1.473 -3.314 164 HD1 PHE 22 HD1 PHE 22 -11.456 -3.091 -3.014 165 HD2 PHE 22 HD2 PHE 22 -11.887 -0.492 -6.337 166 HE1 PHE 22 HE1 PHE 22 -13.448 -4.333 -3.709 167 HE2 PHE 22 HE2 PHE 22 -13.892 -1.732 -7.056 168 HZ PHE 22 HZ PHE 22 -14.680 -3.656 -5.739 169 H LEU 23 H LEU 23 -10.556 -0.061 -1.381 170 HA LEU 23 HA LEU 23 -13.280 -0.559 -0.858 171 HB2 LEU 23 HB2 LEU 23 -11.138 0.115 1.137 172 HB3 LEU 23 HB3 LEU 23 -12.663 -0.667 1.481 173 HG LEU 23 HG LEU 23 -10.402 -1.795 -0.147 174 HD11 LEU 23 HD11 LEU 23 -11.474 -2.586 2.542 175 HD12 LEU 23 HD12 LEU 23 -9.933 -1.797 2.196 176 HD13 LEU 23 HD13 LEU 23 -10.236 -3.435 1.618 177 HD21 LEU 23 HD21 LEU 23 -13.061 -3.047 0.531 178 HD22 LEU 23 HD22 LEU 23 -11.702 -3.839 -0.283 179 HD23 LEU 23 HD23 LEU 23 -12.534 -2.493 -1.061 180 H ASN 24 H ASN 24 -11.821 2.367 -1.210 181 HA ASN 24 HA ASN 24 -13.204 3.967 0.697 182 HB2 ASN 24 HB2 ASN 24 -12.341 5.835 -0.426 183 HB3 ASN 24 HB3 ASN 24 -11.125 4.575 -0.559 184 HD21 ASN 24 HD21 ASN 24 -12.768 3.228 -2.853 185 HD22 ASN 24 HD22 ASN 24 -12.426 4.261 -4.186 186 H ALA 25 H ALA 25 -14.473 2.319 -1.816 187 HA ALA 25 HA ALA 25 -16.401 4.359 -2.648 188 HB1 ALA 25 HB1 ALA 25 -15.315 3.046 -4.400 189 HB2 ALA 25 HB2 ALA 25 -17.054 2.772 -4.382 190 HB3 ALA 25 HB3 ALA 25 -15.960 1.567 -3.688 191 H TRP 26 H TRP 26 -16.227 2.717 -0.084 192 HA TRP 26 HA TRP 26 -18.613 1.192 0.027 193 HB2 TRP 26 HB2 TRP 26 -18.341 1.160 2.500 194 HB3 TRP 26 HB3 TRP 26 -16.849 0.751 1.683 195 HD1 TRP 26 HD1 TRP 26 -15.157 3.157 1.468 196 HE1 TRP 26 HE1 TRP 26 -14.537 4.692 3.383 197 HE3 TRP 26 HE3 TRP 26 -19.000 2.014 4.651 198 HZ2 TRP 26 HZ2 TRP 26 -15.534 5.348 5.971 199 HZ3 TRP 26 HZ3 TRP 26 -19.080 3.146 6.825 200 HH2 TRP 26 HH2 TRP 26 -17.393 4.770 7.473 Start of MODEL 3 1 H1 LYS 1 HT1 LYS 1 -21.041 -5.598 -2.948 2 H2 LYS 1 HT2 LYS 1 -21.677 -4.533 -1.808 3 H3 LYS 1 HT3 LYS 1 -21.313 -6.115 -1.384 4 HA LYS 1 HA LYS 1 -19.337 -4.163 -2.339 5 HB2 LYS 1 HB2 LYS 1 -18.530 -4.077 0.022 6 HB3 LYS 1 HB3 LYS 1 -20.116 -3.359 -0.203 7 HG2 LYS 1 HG2 LYS 1 -21.142 -5.396 0.675 8 HG3 LYS 1 HG3 LYS 1 -19.535 -6.083 0.943 9 HD2 LYS 1 HD2 LYS 1 -19.024 -4.307 2.523 10 HD3 LYS 1 HD3 LYS 1 -20.555 -3.519 2.150 11 HE2 LYS 1 HE2 LYS 1 -21.753 -5.456 3.036 12 HE3 LYS 1 HE3 LYS 1 -20.218 -6.231 3.416 13 HZ1 LYS 1 HZ1 LYS 1 -19.730 -4.464 4.969 14 HZ2 LYS 1 HZ2 LYS 1 -21.194 -5.156 5.354 15 HZ3 LYS 1 HZ3 LYS 1 -21.156 -3.657 4.588 16 H LYS 2 H LYS 2 -17.392 -4.929 -2.697 17 HA LYS 2 HA LYS 2 -16.759 -7.618 -1.746 18 HB2 LYS 2 HB2 LYS 2 -15.622 -8.205 -3.809 19 HB3 LYS 2 HB3 LYS 2 -17.311 -7.871 -4.115 20 HG2 LYS 2 HG2 LYS 2 -15.093 -5.918 -4.607 21 HG3 LYS 2 HG3 LYS 2 -15.676 -7.045 -5.836 22 HD2 LYS 2 HD2 LYS 2 -17.239 -4.787 -4.525 23 HD3 LYS 2 HD3 LYS 2 -16.657 -4.836 -6.179 24 HE2 LYS 2 HE2 LYS 2 -18.785 -6.600 -4.959 25 HE3 LYS 2 HE3 LYS 2 -19.013 -5.332 -6.142 26 HZ1 LYS 2 HZ1 LYS 2 -17.699 -6.639 -7.730 27 HZ2 LYS 2 HZ2 LYS 2 -19.057 -7.460 -7.171 28 HZ3 LYS 2 HZ3 LYS 2 -17.558 -7.883 -6.582 29 H LYS 3 H LYS 3 -16.044 -4.501 -1.616 30 HA LYS 3 HA LYS 3 -13.215 -4.994 -0.986 31 HB2 LYS 3 HB2 LYS 3 -14.537 -2.417 -1.879 32 HB3 LYS 3 HB3 LYS 3 -12.858 -2.594 -1.435 33 HG2 LYS 3 HG2 LYS 3 -14.168 -3.896 -3.816 34 HG3 LYS 3 HG3 LYS 3 -13.211 -2.414 -3.849 35 HD2 LYS 3 HD2 LYS 3 -11.283 -3.758 -2.956 36 HD3 LYS 3 HD3 LYS 3 -12.282 -5.204 -3.163 37 HE2 LYS 3 HE2 LYS 3 -12.483 -4.734 -5.547 38 HE3 LYS 3 HE3 LYS 3 -11.534 -3.272 -5.352 39 HZ1 LYS 3 HZ1 LYS 3 -10.176 -5.075 -6.202 40 HZ2 LYS 3 HZ2 LYS 3 -10.603 -6.044 -4.906 41 HZ3 LYS 3 HZ3 LYS 3 -9.655 -4.697 -4.638 42 H LYS 4 H LYS 4 -12.534 -3.740 0.883 43 HA LYS 4 HA LYS 4 -14.734 -2.655 2.480 44 HB2 LYS 4 HB2 LYS 4 -13.720 -3.562 4.504 45 HB3 LYS 4 HB3 LYS 4 -14.065 -4.858 3.375 46 HG2 LYS 4 HG2 LYS 4 -11.640 -4.741 2.698 47 HG3 LYS 4 HG3 LYS 4 -11.390 -3.669 4.074 48 HD2 LYS 4 HD2 LYS 4 -12.397 -6.522 4.158 49 HD3 LYS 4 HD3 LYS 4 -10.826 -5.952 4.693 50 HE2 LYS 4 HE2 LYS 4 -13.481 -5.171 5.910 51 HE3 LYS 4 HE3 LYS 4 -12.375 -6.372 6.556 52 HZ1 LYS 4 HZ1 LYS 4 -10.726 -4.636 6.896 53 HZ2 LYS 4 HZ2 LYS 4 -12.176 -4.295 7.670 54 HZ3 LYS 4 HZ3 LYS 4 -11.791 -3.459 6.276 55 H GLN 5 H GLN 5 -12.096 -2.018 0.761 56 HA GLN 5 HA GLN 5 -11.261 0.239 2.401 57 HB2 GLN 5 HB2 GLN 5 -9.623 -1.510 0.566 58 HB3 GLN 5 HB3 GLN 5 -9.078 -0.011 1.299 59 HG2 GLN 5 HG2 GLN 5 -9.226 -1.002 3.502 60 HG3 GLN 5 HG3 GLN 5 -9.899 -2.481 2.811 61 HE21 GLN 5 HE21 GLN 5 -7.362 -0.682 1.225 62 HE22 GLN 5 HE22 GLN 5 -6.140 -1.863 1.450 63 H SER 6 H SER 6 -11.385 2.063 1.336 64 HA SER 6 HA SER 6 -12.134 2.122 -1.460 65 HB2 SER 6 HB2 SER 6 -13.302 3.585 0.215 66 HB3 SER 6 HB3 SER 6 -11.766 4.376 0.540 67 HG SER 6 HG SER 6 -13.452 5.174 -1.162 68 H TRP 7 H TRP 7 -10.989 4.153 -2.534 69 HA TRP 7 HA TRP 7 -8.395 3.445 -3.210 70 HB2 TRP 7 HB2 TRP 7 -8.212 5.683 -4.301 71 HB3 TRP 7 HB3 TRP 7 -9.690 4.832 -4.717 72 HD1 TRP 7 HD1 TRP 7 -12.004 5.883 -3.746 73 HE1 TRP 7 HE1 TRP 7 -12.599 8.250 -2.950 74 HE3 TRP 7 HE3 TRP 7 -7.291 7.735 -3.112 75 HZ2 TRP 7 HZ2 TRP 7 -11.249 10.601 -2.163 76 HZ3 TRP 7 HZ3 TRP 7 -7.030 10.039 -2.344 77 HH2 TRP 7 HH2 TRP 7 -8.958 11.447 -1.873 78 H TYR 8 H TYR 8 -9.458 5.736 -0.822 79 HA TYR 8 HA TYR 8 -6.777 6.624 -0.280 80 HB2 TYR 8 HB2 TYR 8 -7.788 7.927 1.615 81 HB3 TYR 8 HB3 TYR 8 -8.492 8.269 0.049 82 HD1 TYR 8 HD1 TYR 8 -9.071 6.692 3.313 83 HD2 TYR 8 HD2 TYR 8 -10.799 7.748 -0.417 84 HE1 TYR 8 HE1 TYR 8 -11.296 6.248 4.233 85 HE2 TYR 8 HE2 TYR 8 -13.041 7.322 0.492 86 HH TYR 8 HH TYR 8 -13.752 7.111 3.655 87 H ALA 9 H ALA 9 -8.842 4.268 0.935 88 HA ALA 9 HA ALA 9 -7.430 3.806 3.375 89 HB1 ALA 9 HB1 ALA 9 -8.749 1.722 3.526 90 HB2 ALA 9 HB2 ALA 9 -9.391 2.032 1.908 91 HB3 ALA 9 HB3 ALA 9 -9.756 3.133 3.234 92 H ALA 10 H ALA 10 -7.445 2.417 0.108 93 HA ALA 10 HA ALA 10 -5.501 0.398 0.566 94 HB1 ALA 10 HB1 ALA 10 -5.434 0.294 -1.861 95 HB2 ALA 10 HB2 ALA 10 -6.364 1.798 -1.968 96 HB3 ALA 10 HB3 ALA 10 -7.106 0.348 -1.303 97 H ALA 11 H ALA 11 -5.406 3.686 -0.723 98 HA ALA 11 HA ALA 11 -2.720 3.806 -1.355 99 HB1 ALA 11 HB1 ALA 11 -4.377 5.512 -1.918 100 HB2 ALA 11 HB2 ALA 11 -2.926 6.215 -1.194 101 HB3 ALA 11 HB3 ALA 11 -4.402 6.038 -0.240 102 H GLY 12 H GLY 12 -4.259 4.336 1.746 103 HA2 GLY 12 HA2 GLY 12 -2.088 5.247 3.174 104 HA3 GLY 12 HA3 GLY 12 -3.457 4.369 3.869 105 H ASP 13 H ASP 13 -3.192 1.937 2.687 106 HA ASP 13 HA ASP 13 -0.935 0.849 4.139 107 HB2 ASP 13 HB2 ASP 13 -3.086 -0.400 3.996 108 HB3 ASP 13 HB3 ASP 13 -2.840 -0.555 2.269 109 H ALA 14 H ALA 14 -1.934 1.069 0.900 110 HA ALA 14 HA ALA 14 -0.048 -0.470 -0.392 111 HB1 ALA 14 HB1 ALA 14 -1.339 1.968 -1.604 112 HB2 ALA 14 HB2 ALA 14 -2.226 0.530 -1.253 113 HB3 ALA 14 HB3 ALA 14 -0.885 0.461 -2.425 114 H ILE 15 H ILE 15 0.126 2.977 0.303 115 HA ILE 15 HA ILE 15 2.611 3.268 -1.116 116 HB ILE 15 HB ILE 15 1.187 5.174 0.743 117 HG12 ILE 15 HG12 ILE 15 1.426 5.207 -2.267 118 HG13 ILE 15 HG13 ILE 15 0.060 4.528 -1.389 119 HG21 ILE 15 HG21 ILE 15 3.594 5.680 0.694 120 HG22 ILE 15 HG22 ILE 15 2.675 6.924 -0.144 121 HG23 ILE 15 HG23 ILE 15 3.566 5.716 -1.067 122 HD11 ILE 15 HD11 ILE 15 -0.407 6.640 -0.432 123 HD12 ILE 15 HD12 ILE 15 -0.372 6.739 -2.216 124 HD13 ILE 15 HD13 ILE 15 0.990 7.354 -1.253 125 H VAL 16 H VAL 16 1.671 2.942 2.167 126 HA VAL 16 HA VAL 16 4.258 3.262 3.297 127 HB VAL 16 HB VAL 16 1.899 1.680 4.366 128 HG11 VAL 16 HG11 VAL 16 3.969 0.924 5.380 129 HG12 VAL 16 HG12 VAL 16 2.997 1.809 6.555 130 HG13 VAL 16 HG13 VAL 16 4.401 2.578 5.814 131 HG21 VAL 16 HG21 VAL 16 1.557 3.666 5.807 132 HG22 VAL 16 HG22 VAL 16 1.353 3.997 4.100 133 HG23 VAL 16 HG23 VAL 16 2.834 4.507 4.920 134 H SER 17 H SER 17 2.506 0.505 2.178 135 HA SER 17 HA SER 17 4.498 -1.421 2.796 136 HB2 SER 17 HB2 SER 17 2.166 -1.531 0.872 137 HB3 SER 17 HB3 SER 17 3.111 -2.921 1.426 138 HG SER 17 HG SER 17 0.979 -2.007 2.591 139 H PHE 18 H PHE 18 3.967 0.758 0.171 140 HA PHE 18 HA PHE 18 5.640 -0.427 -1.776 141 HB2 PHE 18 HB2 PHE 18 3.876 1.523 -1.882 142 HB3 PHE 18 HB3 PHE 18 5.232 2.535 -1.445 143 HD1 PHE 18 HD1 PHE 18 7.435 1.869 -2.967 144 HD2 PHE 18 HD2 PHE 18 3.348 1.570 -4.064 145 HE1 PHE 18 HE1 PHE 18 8.079 2.023 -5.345 146 HE2 PHE 18 HE2 PHE 18 3.974 1.703 -6.453 147 HZ PHE 18 HZ PHE 18 6.346 1.929 -7.088 148 H GLY 19 H GLY 19 6.034 1.974 0.787 149 HA2 GLY 19 HA2 GLY 19 8.766 2.583 0.406 150 HA3 GLY 19 HA3 GLY 19 7.862 2.805 1.902 151 H GLU 20 H GLU 20 7.168 0.253 2.522 152 HA GLU 20 HA GLU 20 9.517 -0.825 3.657 153 HB2 GLU 20 HB2 GLU 20 6.826 -2.129 3.201 154 HB3 GLU 20 HB3 GLU 20 8.068 -2.745 4.276 155 HG2 GLU 20 HG2 GLU 20 6.633 -0.113 4.598 156 HG3 GLU 20 HG3 GLU 20 6.264 -1.593 5.473 157 H GLY 21 H GLY 21 7.842 -1.406 0.761 158 HA2 GLY 21 HA2 GLY 21 9.164 -3.809 -0.003 159 HA3 GLY 21 HA3 GLY 21 8.220 -2.779 -1.073 160 H PHE 22 H PHE 22 9.905 -0.468 -0.321 161 HA PHE 22 HA PHE 22 11.821 -0.499 -2.370 162 HB2 PHE 22 HB2 PHE 22 11.054 1.593 -1.642 163 HB3 PHE 22 HB3 PHE 22 11.368 1.225 0.044 164 HD1 PHE 22 HD1 PHE 22 12.978 2.077 -3.171 165 HD2 PHE 22 HD2 PHE 22 13.410 1.777 1.046 166 HE1 PHE 22 HE1 PHE 22 15.117 3.306 -3.294 167 HE2 PHE 22 HE2 PHE 22 15.528 2.982 0.942 168 HZ PHE 22 HZ PHE 22 16.393 3.756 -1.231 169 H LEU 23 H LEU 23 11.979 -1.546 0.880 170 HA LEU 23 HA LEU 23 14.802 -1.575 1.155 171 HB2 LEU 23 HB2 LEU 23 12.688 -3.049 2.709 172 HB3 LEU 23 HB3 LEU 23 14.375 -2.909 3.171 173 HG LEU 23 HG LEU 23 12.420 -0.623 2.956 174 HD11 LEU 23 HD11 LEU 23 11.966 -2.038 4.854 175 HD12 LEU 23 HD12 LEU 23 12.669 -0.495 5.368 176 HD13 LEU 23 HD13 LEU 23 13.666 -1.950 5.333 177 HD21 LEU 23 HD21 LEU 23 14.680 0.102 2.390 178 HD22 LEU 23 HD22 LEU 23 15.297 -0.672 3.851 179 HD23 LEU 23 HD23 LEU 23 14.181 0.695 3.975 180 H ASN 24 H ASN 24 12.808 -3.496 -0.694 181 HA ASN 24 HA ASN 24 13.852 -6.078 -0.477 182 HB2 ASN 24 HB2 ASN 24 12.937 -6.566 -2.603 183 HB3 ASN 24 HB3 ASN 24 11.865 -5.410 -1.839 184 HD21 ASN 24 HD21 ASN 24 13.663 -3.064 -2.543 185 HD22 ASN 24 HD22 ASN 24 13.429 -2.844 -4.231 186 H ALA 25 H ALA 25 15.522 -3.375 -1.425 187 HA ALA 25 HA ALA 25 17.273 -4.657 -3.338 188 HB1 ALA 25 HB1 ALA 25 18.356 -2.474 -3.457 189 HB2 ALA 25 HB2 ALA 25 17.338 -1.891 -2.139 190 HB3 ALA 25 HB3 ALA 25 16.611 -2.334 -3.685 191 H TRP 26 H TRP 26 17.007 -4.453 0.007 192 HA TRP 26 HA TRP 26 19.832 -5.088 0.326 193 HB2 TRP 26 HB2 TRP 26 18.179 -3.288 2.134 194 HB3 TRP 26 HB3 TRP 26 19.807 -3.853 2.491 195 HD1 TRP 26 HD1 TRP 26 17.915 -1.395 0.224 196 HE1 TRP 26 HE1 TRP 26 19.603 0.312 -0.739 197 HE3 TRP 26 HE3 TRP 26 22.265 -3.487 1.918 198 HZ2 TRP 26 HZ2 TRP 26 22.368 0.712 -0.774 199 HZ3 TRP 26 HZ3 TRP 26 24.390 -2.371 1.377 200 HH2 TRP 26 HH2 TRP 26 24.439 -0.316 0.063 Start of MODEL 4 1 H1 LYS 1 HT1 LYS 1 -20.583 2.881 4.152 2 H2 LYS 1 HT2 LYS 1 -19.156 3.800 4.308 3 H3 LYS 1 HT3 LYS 1 -19.178 2.438 3.352 4 HA LYS 1 HA LYS 1 -20.466 3.282 1.774 5 HB2 LYS 1 HB2 LYS 1 -21.325 5.664 1.852 6 HB3 LYS 1 HB3 LYS 1 -22.125 4.531 2.927 7 HG2 LYS 1 HG2 LYS 1 -20.792 5.443 4.807 8 HG3 LYS 1 HG3 LYS 1 -20.070 6.592 3.684 9 HD2 LYS 1 HD2 LYS 1 -22.243 7.550 3.210 10 HD3 LYS 1 HD3 LYS 1 -23.026 6.370 4.251 11 HE2 LYS 1 HE2 LYS 1 -21.752 7.286 6.175 12 HE3 LYS 1 HE3 LYS 1 -21.054 8.494 5.103 13 HZ1 LYS 1 HZ1 LYS 1 -23.943 8.207 5.760 14 HZ2 LYS 1 HZ2 LYS 1 -23.326 9.325 4.685 15 HZ3 LYS 1 HZ3 LYS 1 -22.920 9.416 6.306 16 H LYS 2 H LYS 2 -18.361 5.749 3.399 17 HA LYS 2 HA LYS 2 -17.030 5.847 0.842 18 HB2 LYS 2 HB2 LYS 2 -17.578 8.043 1.751 19 HB3 LYS 2 HB3 LYS 2 -16.733 7.665 3.239 20 HG2 LYS 2 HG2 LYS 2 -15.417 9.153 1.799 21 HG3 LYS 2 HG3 LYS 2 -14.614 7.597 2.054 22 HD2 LYS 2 HD2 LYS 2 -15.429 6.842 -0.146 23 HD3 LYS 2 HD3 LYS 2 -16.183 8.426 -0.381 24 HE2 LYS 2 HE2 LYS 2 -14.016 9.501 -0.290 25 HE3 LYS 2 HE3 LYS 2 -13.232 7.961 0.044 26 HZ1 LYS 2 HZ1 LYS 2 -13.031 8.558 -2.304 27 HZ2 LYS 2 HZ2 LYS 2 -14.692 8.649 -2.457 28 HZ3 LYS 2 HZ3 LYS 2 -13.958 7.179 -2.138 29 H LYS 3 H LYS 3 -15.937 4.059 0.776 30 HA LYS 3 HA LYS 3 -14.015 3.526 2.833 31 HB2 LYS 3 HB2 LYS 3 -13.399 1.561 1.318 32 HB3 LYS 3 HB3 LYS 3 -15.005 1.525 2.022 33 HG2 LYS 3 HG2 LYS 3 -15.900 2.361 -0.142 34 HG3 LYS 3 HG3 LYS 3 -14.264 2.251 -0.802 35 HD2 LYS 3 HD2 LYS 3 -14.218 -0.138 -0.383 36 HD3 LYS 3 HD3 LYS 3 -15.784 -0.051 0.417 37 HE2 LYS 3 HE2 LYS 3 -16.053 -0.899 -1.844 38 HE3 LYS 3 HE3 LYS 3 -16.815 0.680 -1.677 39 HZ1 LYS 3 HZ1 LYS 3 -14.165 0.183 -2.944 40 HZ2 LYS 3 HZ2 LYS 3 -14.903 1.680 -2.752 41 HZ3 LYS 3 HZ3 LYS 3 -15.621 0.523 -3.719 42 H LYS 4 H LYS 4 -12.030 4.168 2.757 43 HA LYS 4 HA LYS 4 -11.295 5.997 0.647 44 HB2 LYS 4 HB2 LYS 4 -9.259 6.441 2.014 45 HB3 LYS 4 HB3 LYS 4 -10.753 6.684 2.900 46 HG2 LYS 4 HG2 LYS 4 -10.444 4.421 3.902 47 HG3 LYS 4 HG3 LYS 4 -8.874 4.333 3.114 48 HD2 LYS 4 HD2 LYS 4 -9.731 6.428 5.101 49 HD3 LYS 4 HD3 LYS 4 -8.736 5.022 5.454 50 HE2 LYS 4 HE2 LYS 4 -7.041 5.816 3.908 51 HE3 LYS 4 HE3 LYS 4 -8.019 7.231 3.534 52 HZ1 LYS 4 HZ1 LYS 4 -6.303 7.686 5.157 53 HZ2 LYS 4 HZ2 LYS 4 -6.964 6.548 6.217 54 HZ3 LYS 4 HZ3 LYS 4 -7.831 7.940 5.807 55 H GLN 5 H GLN 5 -10.128 2.962 1.856 56 HA GLN 5 HA GLN 5 -9.100 2.272 -0.733 57 HB2 GLN 5 HB2 GLN 5 -7.311 2.265 1.738 58 HB3 GLN 5 HB3 GLN 5 -6.916 1.451 0.240 59 HG2 GLN 5 HG2 GLN 5 -6.876 3.560 -0.923 60 HG3 GLN 5 HG3 GLN 5 -7.290 4.426 0.555 61 HE21 GLN 5 HE21 GLN 5 -4.979 1.737 0.208 62 HE22 GLN 5 HE22 GLN 5 -3.602 2.698 0.595 63 H SER 6 H SER 6 -9.506 0.150 -1.058 64 HA SER 6 HA SER 6 -10.888 -1.345 0.881 65 HB2 SER 6 HB2 SER 6 -9.533 -2.345 -1.627 66 HB3 SER 6 HB3 SER 6 -11.006 -2.952 -0.852 67 HG SER 6 HG SER 6 -11.967 -1.642 -2.255 68 H TRP 7 H TRP 7 -10.033 -3.636 1.419 69 HA TRP 7 HA TRP 7 -7.775 -3.448 3.001 70 HB2 TRP 7 HB2 TRP 7 -7.861 -5.962 3.174 71 HB3 TRP 7 HB3 TRP 7 -9.401 -5.167 3.472 72 HD1 TRP 7 HD1 TRP 7 -11.337 -5.555 1.658 73 HE1 TRP 7 HE1 TRP 7 -11.649 -7.358 -0.156 74 HE3 TRP 7 HE3 TRP 7 -6.602 -7.451 1.561 75 HZ2 TRP 7 HZ2 TRP 7 -10.108 -9.320 -1.438 76 HZ3 TRP 7 HZ3 TRP 7 -6.110 -9.284 0.021 77 HH2 TRP 7 HH2 TRP 7 -7.820 -10.200 -1.449 78 H TYR 8 H TYR 8 -8.026 -4.732 -0.228 79 HA TYR 8 HA TYR 8 -5.264 -5.476 -0.396 80 HB2 TYR 8 HB2 TYR 8 -5.690 -5.843 -2.825 81 HB3 TYR 8 HB3 TYR 8 -6.852 -6.666 -1.804 82 HD1 TYR 8 HD1 TYR 8 -9.194 -6.105 -1.892 83 HD2 TYR 8 HD2 TYR 8 -6.365 -3.813 -4.097 84 HE1 TYR 8 HE1 TYR 8 -11.036 -5.000 -3.136 85 HE2 TYR 8 HE2 TYR 8 -8.182 -2.726 -5.325 86 HH TYR 8 HH TYR 8 -10.436 -3.080 -5.900 87 H ALA 9 H ALA 9 -6.991 -2.654 -0.944 88 HA ALA 9 HA ALA 9 -5.082 -1.327 -2.642 89 HB1 ALA 9 HB1 ALA 9 -7.361 -0.233 -1.005 90 HB2 ALA 9 HB2 ALA 9 -7.390 -0.590 -2.740 91 HB3 ALA 9 HB3 ALA 9 -6.400 0.726 -2.115 92 H ALA 10 H ALA 10 -5.801 -1.442 0.836 93 HA ALA 10 HA ALA 10 -3.846 0.465 1.499 94 HB1 ALA 10 HB1 ALA 10 -5.788 0.014 2.956 95 HB2 ALA 10 HB2 ALA 10 -4.258 -0.276 3.786 96 HB3 ALA 10 HB3 ALA 10 -5.205 -1.635 3.189 97 H ALA 11 H ALA 11 -4.130 -3.058 1.725 98 HA ALA 11 HA ALA 11 -1.543 -3.582 2.679 99 HB1 ALA 11 HB1 ALA 11 -3.175 -5.325 0.843 100 HB2 ALA 11 HB2 ALA 11 -3.355 -5.255 2.597 101 HB3 ALA 11 HB3 ALA 11 -1.851 -5.827 1.888 102 H GLY 12 H GLY 12 -2.629 -3.428 -0.665 103 HA2 GLY 12 HA2 GLY 12 -0.155 -4.044 -1.801 104 HA3 GLY 12 HA3 GLY 12 -1.447 -3.143 -2.583 105 H ASP 13 H ASP 13 -1.651 -0.875 -1.297 106 HA ASP 13 HA ASP 13 0.528 0.632 -2.257 107 HB2 ASP 13 HB2 ASP 13 -1.751 1.566 -2.042 108 HB3 ASP 13 HB3 ASP 13 -1.598 1.466 -0.297 109 H ALA 14 H ALA 14 -0.447 -0.209 0.893 110 HA ALA 14 HA ALA 14 1.439 1.233 2.362 111 HB1 ALA 14 HB1 ALA 14 -0.636 0.210 3.262 112 HB2 ALA 14 HB2 ALA 14 0.786 -0.176 4.246 113 HB3 ALA 14 HB3 ALA 14 0.108 -1.358 3.111 114 H ILE 15 H ILE 15 1.543 -2.103 1.159 115 HA ILE 15 HA ILE 15 4.090 -2.590 2.366 116 HB ILE 15 HB ILE 15 2.542 -4.224 0.337 117 HG12 ILE 15 HG12 ILE 15 3.016 -4.689 3.270 118 HG13 ILE 15 HG13 ILE 15 1.552 -3.961 2.616 119 HG21 ILE 15 HG21 ILE 15 5.017 -4.977 1.883 120 HG22 ILE 15 HG22 ILE 15 4.921 -4.742 0.128 121 HG23 ILE 15 HG23 ILE 15 4.040 -6.065 0.900 122 HD11 ILE 15 HD11 ILE 15 1.205 -6.297 3.087 123 HD12 ILE 15 HD12 ILE 15 2.585 -6.724 2.056 124 HD13 ILE 15 HD13 ILE 15 1.144 -5.990 1.343 125 H VAL 16 H VAL 16 3.000 -1.918 -0.842 126 HA VAL 16 HA VAL 16 5.543 -2.049 -2.064 127 HB VAL 16 HB VAL 16 3.126 -0.426 -2.940 128 HG11 VAL 16 HG11 VAL 16 5.653 -1.020 -4.482 129 HG12 VAL 16 HG12 VAL 16 5.151 0.556 -3.873 130 HG13 VAL 16 HG13 VAL 16 4.204 -0.244 -5.128 131 HG21 VAL 16 HG21 VAL 16 4.223 -3.057 -3.944 132 HG22 VAL 16 HG22 VAL 16 2.829 -2.202 -4.594 133 HG23 VAL 16 HG23 VAL 16 2.783 -2.836 -2.952 134 H SER 17 H SER 17 3.909 0.601 -0.530 135 HA SER 17 HA SER 17 5.933 2.500 -1.164 136 HB2 SER 17 HB2 SER 17 3.754 2.552 0.919 137 HB3 SER 17 HB3 SER 17 4.782 3.929 0.487 138 HG SER 17 HG SER 17 2.604 2.880 -0.795 139 H PHE 18 H PHE 18 5.382 0.254 1.416 140 HA PHE 18 HA PHE 18 7.286 1.214 3.265 141 HB2 PHE 18 HB2 PHE 18 5.374 -0.541 3.454 142 HB3 PHE 18 HB3 PHE 18 6.547 -1.671 2.815 143 HD1 PHE 18 HD1 PHE 18 5.011 -1.536 5.498 144 HD2 PHE 18 HD2 PHE 18 8.954 -0.519 4.336 145 HE1 PHE 18 HE1 PHE 18 5.783 -1.919 7.803 146 HE2 PHE 18 HE2 PHE 18 9.739 -0.895 6.640 147 HZ PHE 18 HZ PHE 18 8.163 -1.588 8.366 148 H GLY 19 H GLY 19 7.317 -1.211 0.681 149 HA2 GLY 19 HA2 GLY 19 10.004 -1.983 0.915 150 HA3 GLY 19 HA3 GLY 19 9.017 -2.187 -0.518 151 H GLU 20 H GLU 20 8.456 0.428 -1.176 152 HA GLU 20 HA GLU 20 10.805 1.235 -2.480 153 HB2 GLU 20 HB2 GLU 20 8.262 2.748 -1.906 154 HB3 GLU 20 HB3 GLU 20 9.508 3.364 -2.970 155 HG2 GLU 20 HG2 GLU 20 7.909 0.840 -3.377 156 HG3 GLU 20 HG3 GLU 20 7.662 2.370 -4.214 157 H GLY 21 H GLY 21 9.344 2.189 0.446 158 HA2 GLY 21 HA2 GLY 21 10.993 4.391 1.101 159 HA3 GLY 21 HA3 GLY 21 10.047 3.453 2.255 160 H PHE 22 H PHE 22 11.380 0.993 1.451 161 HA PHE 22 HA PHE 22 13.824 1.234 2.906 162 HB2 PHE 22 HB2 PHE 22 12.559 -0.765 3.261 163 HB3 PHE 22 HB3 PHE 22 12.504 -1.107 1.540 164 HD1 PHE 22 HD1 PHE 22 13.719 -2.929 0.982 165 HD2 PHE 22 HD2 PHE 22 15.215 -0.287 3.938 166 HE1 PHE 22 HE1 PHE 22 15.738 -4.310 1.151 167 HE2 PHE 22 HE2 PHE 22 17.265 -1.670 4.147 168 HZ PHE 22 HZ PHE 22 17.525 -3.685 2.747 169 H LEU 23 H LEU 23 12.939 0.388 -0.401 170 HA LEU 23 HA LEU 23 15.443 -0.282 -1.372 171 HB2 LEU 23 HB2 LEU 23 13.140 0.824 -2.939 172 HB3 LEU 23 HB3 LEU 23 14.505 -0.057 -3.605 173 HG LEU 23 HG LEU 23 12.386 -1.137 -1.764 174 HD11 LEU 23 HD11 LEU 23 11.660 -0.926 -4.050 175 HD12 LEU 23 HD12 LEU 23 11.858 -2.619 -3.594 176 HD13 LEU 23 HD13 LEU 23 13.079 -1.830 -4.599 177 HD21 LEU 23 HD21 LEU 23 14.496 -2.112 -1.153 178 HD22 LEU 23 HD22 LEU 23 14.837 -2.520 -2.832 179 HD23 LEU 23 HD23 LEU 23 13.496 -3.302 -1.986 180 H ASN 24 H ASN 24 14.090 2.873 -1.137 181 HA ASN 24 HA ASN 24 15.957 4.253 -2.798 182 HB2 ASN 24 HB2 ASN 24 15.159 6.262 -1.817 183 HB3 ASN 24 HB3 ASN 24 13.791 5.165 -1.989 184 HD21 ASN 24 HD21 ASN 24 14.818 3.632 0.540 185 HD22 ASN 24 HD22 ASN 24 14.240 4.634 1.790 186 H ALA 25 H ALA 25 16.602 2.614 -0.035 187 HA ALA 25 HA ALA 25 18.706 4.421 0.915 188 HB1 ALA 25 HB1 ALA 25 18.639 3.104 2.971 189 HB2 ALA 25 HB2 ALA 25 17.390 2.074 2.259 190 HB3 ALA 25 HB3 ALA 25 17.047 3.776 2.587 191 H TRP 26 H TRP 26 18.687 2.629 -1.388 192 HA TRP 26 HA TRP 26 20.162 0.322 -1.032 193 HB2 TRP 26 HB2 TRP 26 20.776 0.569 -3.453 194 HB3 TRP 26 HB3 TRP 26 19.059 0.677 -3.090 195 HD1 TRP 26 HD1 TRP 26 17.898 3.074 -3.406 196 HE1 TRP 26 HE1 TRP 26 18.518 5.093 -4.847 197 HE3 TRP 26 HE3 TRP 26 22.775 1.901 -4.329 198 HZ2 TRP 26 HZ2 TRP 26 20.809 6.074 -6.216 199 HZ3 TRP 26 HZ3 TRP 26 24.117 3.419 -5.712 200 HH2 TRP 26 HH2 TRP 26 23.155 5.470 -6.632 Start of MODEL 5 1 H1 LYS 1 HT1 LYS 1 18.291 10.504 -1.840 2 H2 LYS 1 HT2 LYS 1 19.651 9.500 -1.792 3 H3 LYS 1 HT3 LYS 1 18.810 9.889 -0.379 4 HA LYS 1 HA LYS 1 17.693 8.409 -2.647 5 HB2 LYS 1 HB2 LYS 1 18.664 7.435 0.039 6 HB3 LYS 1 HB3 LYS 1 17.684 6.481 -1.073 7 HG2 LYS 1 HG2 LYS 1 19.473 6.616 -2.742 8 HG3 LYS 1 HG3 LYS 1 20.440 7.572 -1.629 9 HD2 LYS 1 HD2 LYS 1 20.505 5.739 -0.064 10 HD3 LYS 1 HD3 LYS 1 19.439 4.783 -1.094 11 HE2 LYS 1 HE2 LYS 1 21.130 4.847 -2.875 12 HE3 LYS 1 HE3 LYS 1 22.195 5.770 -1.818 13 HZ1 LYS 1 HZ1 LYS 1 21.210 3.029 -1.307 14 HZ2 LYS 1 HZ2 LYS 1 22.270 3.905 -0.311 15 HZ3 LYS 1 HZ3 LYS 1 22.737 3.442 -1.858 16 H LYS 2 H LYS 2 15.606 7.939 -2.500 17 HA LYS 2 HA LYS 2 14.066 9.264 -0.373 18 HB2 LYS 2 HB2 LYS 2 12.255 9.375 -2.057 19 HB3 LYS 2 HB3 LYS 2 13.700 10.231 -2.579 20 HG2 LYS 2 HG2 LYS 2 14.338 8.283 -3.946 21 HG3 LYS 2 HG3 LYS 2 12.854 7.480 -3.442 22 HD2 LYS 2 HD2 LYS 2 11.527 9.225 -4.485 23 HD3 LYS 2 HD3 LYS 2 12.998 10.081 -4.956 24 HE2 LYS 2 HE2 LYS 2 13.676 8.132 -6.291 25 HE3 LYS 2 HE3 LYS 2 12.180 7.316 -5.840 26 HZ1 LYS 2 HZ1 LYS 2 10.948 9.074 -6.927 27 HZ2 LYS 2 HZ2 LYS 2 12.021 8.333 -7.993 28 HZ3 LYS 2 HZ3 LYS 2 12.384 9.837 -7.370 29 H LYS 3 H LYS 3 15.098 6.379 -1.411 30 HA LYS 3 HA LYS 3 12.665 4.892 -0.940 31 HB2 LYS 3 HB2 LYS 3 14.190 4.267 -2.728 32 HB3 LYS 3 HB3 LYS 3 15.442 3.892 -1.545 33 HG2 LYS 3 HG2 LYS 3 14.098 2.082 -0.656 34 HG3 LYS 3 HG3 LYS 3 12.774 2.504 -1.745 35 HD2 LYS 3 HD2 LYS 3 15.515 1.572 -2.586 36 HD3 LYS 3 HD3 LYS 3 14.051 0.587 -2.578 37 HE2 LYS 3 HE2 LYS 3 13.017 2.149 -4.199 38 HE3 LYS 3 HE3 LYS 3 14.498 3.083 -4.224 39 HZ1 LYS 3 HZ1 LYS 3 14.203 0.276 -5.144 40 HZ2 LYS 3 HZ2 LYS 3 15.653 1.133 -5.080 41 HZ3 LYS 3 HZ3 LYS 3 14.432 1.644 -6.091 42 H LYS 4 H LYS 4 12.071 4.640 1.004 43 HA LYS 4 HA LYS 4 14.005 4.472 3.193 44 HB2 LYS 4 HB2 LYS 4 12.023 4.958 4.626 45 HB3 LYS 4 HB3 LYS 4 12.447 6.254 3.515 46 HG2 LYS 4 HG2 LYS 4 10.630 5.582 2.040 47 HG3 LYS 4 HG3 LYS 4 10.223 4.245 3.116 48 HD2 LYS 4 HD2 LYS 4 10.145 7.174 3.855 49 HD3 LYS 4 HD3 LYS 4 8.740 6.215 3.384 50 HE2 LYS 4 HE2 LYS 4 9.124 4.748 5.331 51 HE3 LYS 4 HE3 LYS 4 10.528 5.729 5.755 52 HZ1 LYS 4 HZ1 LYS 4 7.737 6.721 5.647 53 HZ2 LYS 4 HZ2 LYS 4 9.097 7.605 6.072 54 HZ3 LYS 4 HZ3 LYS 4 8.584 6.328 7.040 55 H GLN 5 H GLN 5 11.667 2.621 1.450 56 HA GLN 5 HA GLN 5 11.930 0.526 3.408 57 HB2 GLN 5 HB2 GLN 5 9.429 1.411 1.981 58 HB3 GLN 5 HB3 GLN 5 9.580 -0.160 2.750 59 HG2 GLN 5 HG2 GLN 5 9.914 0.823 4.865 60 HG3 GLN 5 HG3 GLN 5 9.939 2.457 4.202 61 HE21 GLN 5 HE21 GLN 5 7.711 -0.151 3.322 62 HE22 GLN 5 HE22 GLN 5 6.310 0.584 3.979 63 H SER 6 H SER 6 12.235 -1.376 2.618 64 HA SER 6 HA SER 6 13.259 -1.731 -0.012 65 HB2 SER 6 HB2 SER 6 12.427 -3.815 1.998 66 HB3 SER 6 HB3 SER 6 13.601 -4.027 0.698 67 HG SER 6 HG SER 6 15.006 -3.396 2.137 68 H TRP 7 H TRP 7 12.431 -3.497 -1.506 69 HA TRP 7 HA TRP 7 9.937 -2.812 -2.497 70 HB2 TRP 7 HB2 TRP 7 10.079 -4.791 -3.976 71 HB3 TRP 7 HB3 TRP 7 11.578 -3.872 -3.945 72 HD1 TRP 7 HD1 TRP 7 13.721 -5.083 -2.902 73 HE1 TRP 7 HE1 TRP 7 14.256 -7.540 -2.410 74 HE3 TRP 7 HE3 TRP 7 9.020 -7.025 -3.232 75 HZ2 TRP 7 HZ2 TRP 7 12.891 -9.988 -2.196 76 HZ3 TRP 7 HZ3 TRP 7 8.716 -9.450 -2.873 77 HH2 TRP 7 HH2 TRP 7 10.616 -10.897 -2.372 78 H TYR 8 H TYR 8 10.701 -5.492 -0.425 79 HA TYR 8 HA TYR 8 8.043 -6.518 -0.497 80 HB2 TYR 8 HB2 TYR 8 8.786 -8.023 1.368 81 HB3 TYR 8 HB3 TYR 8 9.769 -8.110 -0.084 82 HD1 TYR 8 HD1 TYR 8 12.054 -7.357 -0.069 83 HD2 TYR 8 HD2 TYR 8 9.676 -7.020 3.427 84 HE1 TYR 8 HE1 TYR 8 14.074 -6.910 1.250 85 HE2 TYR 8 HE2 TYR 8 11.678 -6.569 4.762 86 HH TYR 8 HH TYR 8 14.034 -6.961 4.651 87 H ALA 9 H ALA 9 9.655 -4.268 1.410 88 HA ALA 9 HA ALA 9 7.833 -4.258 3.620 89 HB1 ALA 9 HB1 ALA 9 8.978 -2.128 4.231 90 HB2 ALA 9 HB2 ALA 9 9.887 -2.240 2.724 91 HB3 ALA 9 HB3 ALA 9 10.088 -3.470 3.966 92 H ALA 10 H ALA 10 8.337 -2.349 0.668 93 HA ALA 10 HA ALA 10 6.175 -0.591 1.063 94 HB1 ALA 10 HB1 ALA 10 8.043 -0.107 -0.451 95 HB2 ALA 10 HB2 ALA 10 6.484 -0.091 -1.287 96 HB3 ALA 10 HB3 ALA 10 7.566 -1.469 -1.467 97 H ALA 11 H ALA 11 6.597 -3.588 -0.769 98 HA ALA 11 HA ALA 11 4.083 -3.775 -1.902 99 HB1 ALA 11 HB1 ALA 11 4.458 -6.155 -2.071 100 HB2 ALA 11 HB2 ALA 11 5.718 -6.080 -0.846 101 HB3 ALA 11 HB3 ALA 11 5.959 -5.296 -2.404 102 H GLY 12 H GLY 12 5.074 -4.870 1.296 103 HA2 GLY 12 HA2 GLY 12 2.702 -6.113 2.040 104 HA3 GLY 12 HA3 GLY 12 3.840 -5.383 3.164 105 H ASP 13 H ASP 13 3.690 -2.758 2.446 106 HA ASP 13 HA ASP 13 1.160 -2.021 3.633 107 HB2 ASP 13 HB2 ASP 13 3.289 -0.814 4.186 108 HB3 ASP 13 HB3 ASP 13 3.325 -0.226 2.538 109 H ALA 14 H ALA 14 2.718 -1.492 0.642 110 HA ALA 14 HA ALA 14 0.901 0.230 -0.576 111 HB1 ALA 14 HB1 ALA 14 2.154 -0.139 -2.615 112 HB2 ALA 14 HB2 ALA 14 2.794 -1.655 -1.953 113 HB3 ALA 14 HB3 ALA 14 3.281 -0.149 -1.242 114 H ILE 15 H ILE 15 1.045 -3.306 -0.687 115 HA ILE 15 HA ILE 15 -1.024 -3.474 -2.669 116 HB ILE 15 HB ILE 15 0.118 -5.597 -0.842 117 HG12 ILE 15 HG12 ILE 15 0.495 -5.126 -3.798 118 HG13 ILE 15 HG13 ILE 15 1.635 -4.646 -2.542 119 HG21 ILE 15 HG21 ILE 15 -1.001 -7.257 -2.260 120 HG22 ILE 15 HG22 ILE 15 -1.787 -5.962 -3.166 121 HG23 ILE 15 HG23 ILE 15 -2.178 -6.210 -1.466 122 HD11 ILE 15 HD11 ILE 15 1.895 -6.949 -1.911 123 HD12 ILE 15 HD12 ILE 15 2.311 -6.699 -3.625 124 HD13 ILE 15 HD13 ILE 15 0.764 -7.437 -3.174 125 H VAL 16 H VAL 16 -0.891 -3.773 0.744 126 HA VAL 16 HA VAL 16 -3.632 -4.358 1.110 127 HB VAL 16 HB VAL 16 -1.786 -2.951 3.061 128 HG11 VAL 16 HG11 VAL 16 -4.151 -2.625 3.626 129 HG12 VAL 16 HG12 VAL 16 -3.341 -3.661 4.796 130 HG13 VAL 16 HG13 VAL 16 -4.409 -4.370 3.578 131 HG21 VAL 16 HG21 VAL 16 -2.464 -5.875 2.717 132 HG22 VAL 16 HG22 VAL 16 -1.569 -5.197 4.080 133 HG23 VAL 16 HG23 VAL 16 -0.893 -5.098 2.464 134 H SER 17 H SER 17 -1.895 -1.382 0.957 135 HA SER 17 HA SER 17 -4.133 0.309 1.452 136 HB2 SER 17 HB2 SER 17 -1.778 1.062 1.782 137 HB3 SER 17 HB3 SER 17 -1.528 0.988 0.043 138 HG SER 17 HG SER 17 -2.136 3.109 1.105 139 H PHE 18 H PHE 18 -2.770 -1.154 -1.358 140 HA PHE 18 HA PHE 18 -4.103 0.224 -3.415 141 HB2 PHE 18 HB2 PHE 18 -2.192 -1.547 -3.436 142 HB3 PHE 18 HB3 PHE 18 -3.484 -2.715 -3.403 143 HD1 PHE 18 HD1 PHE 18 -5.414 -1.929 -5.310 144 HD2 PHE 18 HD2 PHE 18 -1.218 -1.398 -5.421 145 HE1 PHE 18 HE1 PHE 18 -5.501 -1.895 -7.772 146 HE2 PHE 18 HE2 PHE 18 -1.276 -1.353 -7.878 147 HZ PHE 18 HZ PHE 18 -3.430 -1.609 -9.066 148 H GLY 19 H GLY 19 -4.910 -2.674 -1.558 149 HA2 GLY 19 HA2 GLY 19 -7.400 -3.192 -2.780 150 HA3 GLY 19 HA3 GLY 19 -6.876 -3.783 -1.203 151 H GLU 20 H GLU 20 -6.518 -1.511 0.188 152 HA GLU 20 HA GLU 20 -9.097 -0.826 1.038 153 HB2 GLU 20 HB2 GLU 20 -6.452 0.532 1.506 154 HB3 GLU 20 HB3 GLU 20 -7.938 0.939 2.353 155 HG2 GLU 20 HG2 GLU 20 -6.531 -1.725 2.442 156 HG3 GLU 20 HG3 GLU 20 -6.489 -0.485 3.697 157 H GLY 21 H GLY 21 -6.961 0.622 -1.185 158 HA2 GLY 21 HA2 GLY 21 -8.080 3.166 -1.572 159 HA3 GLY 21 HA3 GLY 21 -7.248 2.238 -2.826 160 H PHE 22 H PHE 22 -8.940 0.098 -2.886 161 HA PHE 22 HA PHE 22 -11.171 1.151 -4.384 162 HB2 PHE 22 HB2 PHE 22 -10.006 -0.790 -5.261 163 HB3 PHE 22 HB3 PHE 22 -10.321 -1.682 -3.777 164 HD1 PHE 22 HD1 PHE 22 -12.175 0.137 -6.433 165 HD2 PHE 22 HD2 PHE 22 -12.026 -3.168 -3.789 166 HE1 PHE 22 HE1 PHE 22 -14.242 -0.755 -7.437 167 HE2 PHE 22 HE2 PHE 22 -14.079 -4.061 -4.751 168 HZ PHE 22 HZ PHE 22 -15.201 -2.865 -6.592 169 H LEU 23 H LEU 23 -10.698 -0.824 -1.505 170 HA LEU 23 HA LEU 23 -13.388 -1.371 -0.956 171 HB2 LEU 23 HB2 LEU 23 -11.090 -1.391 0.994 172 HB3 LEU 23 HB3 LEU 23 -12.625 -2.195 1.196 173 HG LEU 23 HG LEU 23 -10.516 -2.875 -0.839 174 HD11 LEU 23 HD11 LEU 23 -10.365 -4.968 0.336 175 HD12 LEU 23 HD12 LEU 23 -11.531 -4.394 1.537 176 HD13 LEU 23 HD13 LEU 23 -9.952 -3.611 1.387 177 HD21 LEU 23 HD21 LEU 23 -11.959 -4.752 -1.440 178 HD22 LEU 23 HD22 LEU 23 -12.693 -3.185 -1.799 179 HD23 LEU 23 HD23 LEU 23 -13.221 -4.099 -0.386 180 H ASN 24 H ASN 24 -11.779 1.534 -0.500 181 HA ASN 24 HA ASN 24 -13.091 2.526 1.786 182 HB2 ASN 24 HB2 ASN 24 -12.464 4.735 1.120 183 HB3 ASN 24 HB3 ASN 24 -11.164 3.686 0.611 184 HD21 ASN 24 HD21 ASN 24 -12.578 2.774 -1.934 185 HD22 ASN 24 HD22 ASN 24 -12.532 4.185 -2.904 186 H ALA 25 H ALA 25 -14.324 1.899 -1.386 187 HA ALA 25 HA ALA 25 -16.778 3.379 -0.730 188 HB1 ALA 25 HB1 ALA 25 -15.542 4.504 -2.501 189 HB2 ALA 25 HB2 ALA 25 -17.046 3.810 -3.127 190 HB3 ALA 25 HB3 ALA 25 -15.510 3.010 -3.432 191 H TRP 26 H TRP 26 -15.463 0.364 -1.160 192 HA TRP 26 HA TRP 26 -18.009 -0.802 -1.884 193 HB2 TRP 26 HB2 TRP 26 -15.319 -1.480 -3.134 194 HB3 TRP 26 HB3 TRP 26 -16.728 -2.523 -3.230 195 HD1 TRP 26 HD1 TRP 26 -15.676 1.045 -4.326 196 HE1 TRP 26 HE1 TRP 26 -16.880 1.601 -6.512 197 HE3 TRP 26 HE3 TRP 26 -18.507 -3.194 -4.767 198 HZ2 TRP 26 HZ2 TRP 26 -18.782 0.390 -8.217 199 HZ3 TRP 26 HZ3 TRP 26 -19.984 -3.416 -6.711 200 HH2 TRP 26 HH2 TRP 26 -20.131 -1.666 -8.395 Start of MODEL 6 1 H1 LYS 1 HT1 LYS 1 16.778 -9.892 6.074 2 H2 LYS 1 HT2 LYS 1 17.383 -9.434 4.570 3 H3 LYS 1 HT3 LYS 1 15.727 -9.586 4.815 4 HA LYS 1 HA LYS 1 15.587 -7.798 6.239 5 HB2 LYS 1 HB2 LYS 1 17.483 -6.375 6.745 6 HB3 LYS 1 HB3 LYS 1 17.747 -8.009 7.326 7 HG2 LYS 1 HG2 LYS 1 19.241 -8.479 5.518 8 HG3 LYS 1 HG3 LYS 1 18.914 -6.922 4.772 9 HD2 LYS 1 HD2 LYS 1 20.172 -7.320 7.492 10 HD3 LYS 1 HD3 LYS 1 21.056 -6.968 6.003 11 HE2 LYS 1 HE2 LYS 1 19.920 -4.829 5.800 12 HE3 LYS 1 HE3 LYS 1 18.955 -5.157 7.232 13 HZ1 LYS 1 HZ1 LYS 1 21.912 -4.873 7.198 14 HZ2 LYS 1 HZ2 LYS 1 20.959 -5.171 8.542 15 HZ3 LYS 1 HZ3 LYS 1 20.803 -3.718 7.709 16 H LYS 2 H LYS 2 16.490 -8.495 3.098 17 HA LYS 2 HA LYS 2 16.640 -5.733 2.300 18 HB2 LYS 2 HB2 LYS 2 18.218 -7.133 1.221 19 HB3 LYS 2 HB3 LYS 2 16.999 -8.300 0.753 20 HG2 LYS 2 HG2 LYS 2 17.667 -7.031 -1.179 21 HG3 LYS 2 HG3 LYS 2 16.010 -6.626 -0.758 22 HD2 LYS 2 HD2 LYS 2 17.158 -4.606 -1.356 23 HD3 LYS 2 HD3 LYS 2 16.858 -4.574 0.374 24 HE2 LYS 2 HE2 LYS 2 19.134 -5.159 0.844 25 HE3 LYS 2 HE3 LYS 2 19.467 -5.430 -0.865 26 HZ1 LYS 2 HZ1 LYS 2 19.040 -3.089 -1.270 27 HZ2 LYS 2 HZ2 LYS 2 20.281 -3.277 -0.165 28 HZ3 LYS 2 HZ3 LYS 2 18.778 -2.800 0.362 29 H LYS 3 H LYS 3 14.854 -4.724 2.286 30 HA LYS 3 HA LYS 3 12.466 -5.818 0.986 31 HB2 LYS 3 HB2 LYS 3 12.270 -4.758 3.253 32 HB3 LYS 3 HB3 LYS 3 12.955 -3.288 2.586 33 HG2 LYS 3 HG2 LYS 3 10.608 -3.000 2.833 34 HG3 LYS 3 HG3 LYS 3 10.958 -3.101 1.116 35 HD2 LYS 3 HD2 LYS 3 10.161 -5.366 1.023 36 HD3 LYS 3 HD3 LYS 3 9.980 -5.430 2.778 37 HE2 LYS 3 HE2 LYS 3 8.295 -3.629 2.642 38 HE3 LYS 3 HE3 LYS 3 8.447 -3.637 0.888 39 HZ1 LYS 3 HZ1 LYS 3 7.552 -5.957 2.512 40 HZ2 LYS 3 HZ2 LYS 3 7.567 -5.864 0.835 41 HZ3 LYS 3 HZ3 LYS 3 6.533 -4.892 1.735 42 H LYS 4 H LYS 4 12.203 -5.205 -1.112 43 HA LYS 4 HA LYS 4 14.019 -3.434 -2.455 44 HB2 LYS 4 HB2 LYS 4 12.616 -3.836 -4.432 45 HB3 LYS 4 HB3 LYS 4 13.048 -5.331 -3.610 46 HG2 LYS 4 HG2 LYS 4 10.785 -5.314 -2.530 47 HG3 LYS 4 HG3 LYS 4 10.411 -3.884 -3.489 48 HD2 LYS 4 HD2 LYS 4 11.215 -6.519 -4.700 49 HD3 LYS 4 HD3 LYS 4 9.544 -6.036 -4.435 50 HE2 LYS 4 HE2 LYS 4 9.837 -4.125 -5.914 51 HE3 LYS 4 HE3 LYS 4 11.540 -4.526 -6.121 52 HZ1 LYS 4 HZ1 LYS 4 10.927 -6.572 -7.174 53 HZ2 LYS 4 HZ2 LYS 4 10.169 -5.329 -7.978 54 HZ3 LYS 4 HZ3 LYS 4 9.300 -6.311 -6.912 55 H GLN 5 H GLN 5 11.879 -2.414 -0.385 56 HA GLN 5 HA GLN 5 10.881 -0.228 -2.044 57 HB2 GLN 5 HB2 GLN 5 9.442 -1.628 0.212 58 HB3 GLN 5 HB3 GLN 5 8.853 -0.228 -0.656 59 HG2 GLN 5 HG2 GLN 5 8.626 -1.462 -2.679 60 HG3 GLN 5 HG3 GLN 5 9.485 -2.835 -1.984 61 HE21 GLN 5 HE21 GLN 5 7.097 -1.056 -0.187 62 HE22 GLN 5 HE22 GLN 5 5.930 -2.339 -0.176 63 H SER 6 H SER 6 11.739 1.597 -1.396 64 HA SER 6 HA SER 6 12.888 2.114 1.149 65 HB2 SER 6 HB2 SER 6 11.847 4.064 -0.913 66 HB3 SER 6 HB3 SER 6 13.120 4.358 0.275 67 HG SER 6 HG SER 6 14.339 3.813 -1.331 68 H TRP 7 H TRP 7 11.971 4.098 2.446 69 HA TRP 7 HA TRP 7 9.595 3.354 3.630 70 HB2 TRP 7 HB2 TRP 7 9.630 5.535 4.800 71 HB3 TRP 7 HB3 TRP 7 11.207 4.765 4.778 72 HD1 TRP 7 HD1 TRP 7 13.134 5.968 3.365 73 HE1 TRP 7 HE1 TRP 7 13.377 8.353 2.470 74 HE3 TRP 7 HE3 TRP 7 8.293 7.510 3.840 75 HZ2 TRP 7 HZ2 TRP 7 11.757 10.605 2.032 76 HZ3 TRP 7 HZ3 TRP 7 7.726 9.810 3.165 77 HH2 TRP 7 HH2 TRP 7 9.418 11.320 2.283 78 H TYR 8 H TYR 8 10.039 5.721 1.108 79 HA TYR 8 HA TYR 8 7.260 6.497 1.102 80 HB2 TYR 8 HB2 TYR 8 7.854 7.857 -0.945 81 HB3 TYR 8 HB3 TYR 8 8.826 8.218 0.466 82 HD1 TYR 8 HD1 TYR 8 11.163 7.763 0.508 83 HD2 TYR 8 HD2 TYR 8 8.847 6.641 -2.863 84 HE1 TYR 8 HE1 TYR 8 13.221 7.364 -0.747 85 HE2 TYR 8 HE2 TYR 8 10.905 6.223 -4.148 86 HH TYR 8 HH TYR 8 13.960 6.086 -2.636 87 H ALA 9 H ALA 9 9.113 4.176 -0.432 88 HA ALA 9 HA ALA 9 7.346 3.675 -2.646 89 HB1 ALA 9 HB1 ALA 9 9.475 1.897 -1.461 90 HB2 ALA 9 HB2 ALA 9 9.723 3.037 -2.780 91 HB3 ALA 9 HB3 ALA 9 8.670 1.636 -3.003 92 H ALA 10 H ALA 10 7.903 2.329 0.587 93 HA ALA 10 HA ALA 10 5.932 0.354 0.304 94 HB1 ALA 10 HB1 ALA 10 7.195 1.508 2.784 95 HB2 ALA 10 HB2 ALA 10 7.797 0.122 1.882 96 HB3 ALA 10 HB3 ALA 10 6.233 0.035 2.700 97 H ALA 11 H ALA 11 6.049 3.454 2.065 98 HA ALA 11 HA ALA 11 3.438 3.361 3.042 99 HB1 ALA 11 HB1 ALA 11 4.934 5.847 2.243 100 HB2 ALA 11 HB2 ALA 11 5.129 4.998 3.778 101 HB3 ALA 11 HB3 ALA 11 3.583 5.744 3.371 102 H GLY 12 H GLY 12 4.545 4.527 -0.072 103 HA2 GLY 12 HA2 GLY 12 2.098 5.624 -0.859 104 HA3 GLY 12 HA3 GLY 12 3.426 5.151 -1.929 105 H ASP 13 H ASP 13 3.562 2.462 -1.446 106 HA ASP 13 HA ASP 13 1.265 1.631 -2.961 107 HB2 ASP 13 HB2 ASP 13 3.617 0.697 -3.284 108 HB3 ASP 13 HB3 ASP 13 3.360 -0.168 -1.784 109 H ALA 14 H ALA 14 2.547 0.980 0.141 110 HA ALA 14 HA ALA 14 0.909 -1.087 0.968 111 HB1 ALA 14 HB1 ALA 14 2.145 0.988 2.763 112 HB2 ALA 14 HB2 ALA 14 3.010 -0.333 2.052 113 HB3 ALA 14 HB3 ALA 14 1.706 -0.669 3.212 114 H ILE 15 H ILE 15 0.416 2.379 1.403 115 HA ILE 15 HA ILE 15 -1.880 1.981 3.050 116 HB ILE 15 HB ILE 15 -1.005 4.467 1.554 117 HG12 ILE 15 HG12 ILE 15 -0.768 3.764 4.481 118 HG13 ILE 15 HG13 ILE 15 0.542 3.619 3.309 119 HG21 ILE 15 HG21 ILE 15 -2.535 5.679 3.059 120 HG22 ILE 15 HG22 ILE 15 -3.059 4.128 3.736 121 HG23 ILE 15 HG23 ILE 15 -3.418 4.511 2.056 122 HD11 ILE 15 HD11 ILE 15 0.409 6.007 2.906 123 HD12 ILE 15 HD12 ILE 15 0.771 5.643 4.594 124 HD13 ILE 15 HD13 ILE 15 -0.858 6.157 4.123 125 H VAL 16 H VAL 16 -1.371 2.680 -0.273 126 HA VAL 16 HA VAL 16 -4.093 2.931 -1.015 127 HB VAL 16 HB VAL 16 -1.737 2.112 -2.727 128 HG11 VAL 16 HG11 VAL 16 -4.430 3.181 -3.540 129 HG12 VAL 16 HG12 VAL 16 -3.847 1.530 -3.737 130 HG13 VAL 16 HG13 VAL 16 -3.079 2.844 -4.639 131 HG21 VAL 16 HG21 VAL 16 -1.705 4.494 -3.419 132 HG22 VAL 16 HG22 VAL 16 -1.317 4.249 -1.734 133 HG23 VAL 16 HG23 VAL 16 -2.926 4.833 -2.188 134 H SER 17 H SER 17 -1.891 0.286 -0.893 135 HA SER 17 HA SER 17 -3.629 -1.559 -2.161 136 HB2 SER 17 HB2 SER 17 -1.038 -1.899 -0.672 137 HB3 SER 17 HB3 SER 17 -1.903 -3.247 -1.434 138 HG SER 17 HG SER 17 -0.158 -1.783 -2.623 139 H PHE 18 H PHE 18 -3.025 -0.537 1.085 140 HA PHE 18 HA PHE 18 -4.473 -2.617 2.330 141 HB2 PHE 18 HB2 PHE 18 -3.268 -0.089 3.026 142 HB3 PHE 18 HB3 PHE 18 -4.719 -0.380 3.946 143 HD1 PHE 18 HD1 PHE 18 -1.438 -0.448 4.291 144 HD2 PHE 18 HD2 PHE 18 -4.627 -3.222 4.448 145 HE1 PHE 18 HE1 PHE 18 -0.068 -1.913 5.746 146 HE2 PHE 18 HE2 PHE 18 -3.282 -4.714 5.905 147 HZ PHE 18 HZ PHE 18 -0.992 -4.049 6.552 148 H GLY 19 H GLY 19 -5.236 0.564 1.170 149 HA2 GLY 19 HA2 GLY 19 -7.955 0.673 1.863 150 HA3 GLY 19 HA3 GLY 19 -7.208 1.518 0.509 151 H GLU 20 H GLU 20 -6.450 -0.285 -1.174 152 HA GLU 20 HA GLU 20 -8.784 -1.183 -2.452 153 HB2 GLU 20 HB2 GLU 20 -5.891 -1.919 -2.898 154 HB3 GLU 20 HB3 GLU 20 -7.202 -2.414 -3.957 155 HG2 GLU 20 HG2 GLU 20 -6.410 0.420 -3.363 156 HG3 GLU 20 HG3 GLU 20 -5.973 -0.474 -4.817 157 H GLY 21 H GLY 21 -6.507 -2.732 -0.434 158 HA2 GLY 21 HA2 GLY 21 -7.321 -5.408 -0.696 159 HA3 GLY 21 HA3 GLY 21 -6.481 -4.738 0.697 160 H PHE 22 H PHE 22 -8.483 -2.800 1.233 161 HA PHE 22 HA PHE 22 -10.369 -4.380 2.695 162 HB2 PHE 22 HB2 PHE 22 -9.519 -2.353 3.692 163 HB3 PHE 22 HB3 PHE 22 -10.025 -1.411 2.301 164 HD1 PHE 22 HD1 PHE 22 -12.035 -0.309 2.333 165 HD2 PHE 22 HD2 PHE 22 -11.391 -3.520 5.028 166 HE1 PHE 22 HE1 PHE 22 -14.142 0.233 3.447 167 HE2 PHE 22 HE2 PHE 22 -13.516 -2.982 6.177 168 HZ PHE 22 HZ PHE 22 -14.892 -1.104 5.381 169 H LEU 23 H LEU 23 -10.436 -2.216 -0.078 170 HA LEU 23 HA LEU 23 -13.209 -2.203 -0.496 171 HB2 LEU 23 HB2 LEU 23 -10.995 -1.634 -2.439 172 HB3 LEU 23 HB3 LEU 23 -12.682 -1.282 -2.724 173 HG LEU 23 HG LEU 23 -10.919 -0.044 -0.629 174 HD11 LEU 23 HD11 LEU 23 -11.337 2.014 -1.880 175 HD12 LEU 23 HD12 LEU 23 -12.236 1.076 -3.085 176 HD13 LEU 23 HD13 LEU 23 -10.513 0.788 -2.846 177 HD21 LEU 23 HD21 LEU 23 -12.856 1.376 -0.112 178 HD22 LEU 23 HD22 LEU 23 -13.125 -0.325 0.269 179 HD23 LEU 23 HD23 LEU 23 -13.849 0.376 -1.182 180 H ASN 24 H ASN 24 -11.128 -4.685 -0.976 181 HA ASN 24 HA ASN 24 -12.110 -5.944 -3.292 182 HB2 ASN 24 HB2 ASN 24 -11.007 -7.896 -2.619 183 HB3 ASN 24 HB3 ASN 24 -10.046 -6.576 -1.967 184 HD21 ASN 24 HD21 ASN 24 -11.886 -6.167 0.479 185 HD22 ASN 24 HD22 ASN 24 -11.544 -7.577 1.389 186 H ALA 25 H ALA 25 -13.736 -5.377 -0.404 187 HA ALA 25 HA ALA 25 -15.625 -7.572 -0.863 188 HB1 ALA 25 HB1 ALA 25 -15.067 -6.027 1.664 189 HB2 ALA 25 HB2 ALA 25 -14.487 -7.652 1.320 190 HB3 ALA 25 HB3 ALA 25 -16.218 -7.351 1.499 191 H TRP 26 H TRP 26 -15.283 -4.663 -1.906 192 HA TRP 26 HA TRP 26 -18.038 -3.853 -1.370 193 HB2 TRP 26 HB2 TRP 26 -15.570 -2.095 -1.608 194 HB3 TRP 26 HB3 TRP 26 -17.213 -1.475 -1.707 195 HD1 TRP 26 HD1 TRP 26 -14.851 -3.221 0.804 196 HE1 TRP 26 HE1 TRP 26 -15.634 -2.659 3.175 197 HE3 TRP 26 HE3 TRP 26 -19.103 -0.614 -0.345 198 HZ2 TRP 26 HZ2 TRP 26 -17.748 -1.253 4.409 199 HZ3 TRP 26 HZ3 TRP 26 -20.444 0.311 1.498 200 HH2 TRP 26 HH2 TRP 26 -19.782 -0.004 3.821 Start of MODEL 7 1 H1 LYS 1 HT1 LYS 1 24.491 1.542 -3.043 2 H2 LYS 1 HT2 LYS 1 23.920 1.615 -1.450 3 H3 LYS 1 HT3 LYS 1 24.073 3.016 -2.339 4 HA LYS 1 HA LYS 1 22.305 2.398 -3.791 5 HB2 LYS 1 HB2 LYS 1 22.132 -0.075 -2.053 6 HB3 LYS 1 HB3 LYS 1 21.003 0.375 -3.326 7 HG2 LYS 1 HG2 LYS 1 22.861 0.195 -4.960 8 HG3 LYS 1 HG3 LYS 1 23.891 -0.392 -3.652 9 HD2 LYS 1 HD2 LYS 1 22.382 -2.273 -3.306 10 HD3 LYS 1 HD3 LYS 1 21.344 -1.684 -4.605 11 HE2 LYS 1 HE2 LYS 1 24.197 -2.630 -4.863 12 HE3 LYS 1 HE3 LYS 1 22.739 -3.432 -5.443 13 HZ1 LYS 1 HZ1 LYS 1 22.372 -1.505 -6.912 14 HZ2 LYS 1 HZ2 LYS 1 23.818 -2.293 -7.237 15 HZ3 LYS 1 HZ3 LYS 1 23.826 -0.847 -6.404 16 H LYS 2 H LYS 2 20.167 2.905 -3.253 17 HA LYS 2 HA LYS 2 19.932 3.572 -0.447 18 HB2 LYS 2 HB2 LYS 2 20.695 5.541 -1.714 19 HB3 LYS 2 HB3 LYS 2 19.236 5.442 -2.695 20 HG2 LYS 2 HG2 LYS 2 17.881 5.829 -0.747 21 HG3 LYS 2 HG3 LYS 2 19.325 5.857 0.270 22 HD2 LYS 2 HD2 LYS 2 20.146 7.783 -1.065 23 HD3 LYS 2 HD3 LYS 2 18.604 7.786 -1.929 24 HE2 LYS 2 HE2 LYS 2 18.562 9.414 -0.143 25 HE3 LYS 2 HE3 LYS 2 17.432 8.096 0.181 26 HZ1 LYS 2 HZ1 LYS 2 18.720 8.655 2.179 27 HZ2 LYS 2 HZ2 LYS 2 20.138 8.382 1.344 28 HZ3 LYS 2 HZ3 LYS 2 19.122 7.102 1.650 29 H LYS 3 H LYS 3 18.550 2.007 -0.082 30 HA LYS 3 HA LYS 3 15.921 2.617 -1.085 31 HB2 LYS 3 HB2 LYS 3 15.251 0.182 -0.948 32 HB3 LYS 3 HB3 LYS 3 16.359 0.585 -2.229 33 HG2 LYS 3 HG2 LYS 3 17.048 -1.508 -1.384 34 HG3 LYS 3 HG3 LYS 3 18.206 -0.340 -0.781 35 HD2 LYS 3 HD2 LYS 3 17.203 -0.380 1.401 36 HD3 LYS 3 HD3 LYS 3 15.855 -1.345 0.816 37 HE2 LYS 3 HE2 LYS 3 17.498 -2.696 2.050 38 HE3 LYS 3 HE3 LYS 3 17.313 -3.221 0.370 39 HZ1 LYS 3 HZ1 LYS 3 19.522 -1.552 1.450 40 HZ2 LYS 3 HZ2 LYS 3 19.371 -2.096 -0.153 41 HZ3 LYS 3 HZ3 LYS 3 19.594 -3.183 1.084 42 H LYS 4 H LYS 4 14.265 2.685 0.310 43 HA LYS 4 HA LYS 4 15.108 2.693 3.114 44 HB2 LYS 4 HB2 LYS 4 13.358 4.334 3.503 45 HB3 LYS 4 HB3 LYS 4 14.433 4.890 2.238 46 HG2 LYS 4 HG2 LYS 4 12.798 4.315 0.539 47 HG3 LYS 4 HG3 LYS 4 11.740 3.614 1.764 48 HD2 LYS 4 HD2 LYS 4 10.913 5.812 1.194 49 HD3 LYS 4 HD3 LYS 4 11.576 5.870 2.817 50 HE2 LYS 4 HE2 LYS 4 13.644 6.851 1.939 51 HE3 LYS 4 HE3 LYS 4 12.974 6.790 0.307 52 HZ1 LYS 4 HZ1 LYS 4 11.929 8.416 2.581 53 HZ2 LYS 4 HZ2 LYS 4 11.229 8.337 1.050 54 HZ3 LYS 4 HZ3 LYS 4 12.738 8.993 1.234 55 H GLN 5 H GLN 5 13.011 1.144 0.850 56 HA GLN 5 HA GLN 5 11.832 -0.300 3.006 57 HB2 GLN 5 HB2 GLN 5 9.542 0.088 2.246 58 HB3 GLN 5 HB3 GLN 5 10.303 1.594 2.708 59 HG2 GLN 5 HG2 GLN 5 10.737 2.033 0.270 60 HG3 GLN 5 HG3 GLN 5 9.806 0.566 -0.052 61 HE21 GLN 5 HE21 GLN 5 7.637 0.584 0.158 62 HE22 GLN 5 HE22 GLN 5 6.711 2.040 0.388 63 H SER 6 H SER 6 10.666 -2.076 2.170 64 HA SER 6 HA SER 6 11.889 -3.089 -0.263 65 HB2 SER 6 HB2 SER 6 12.062 -4.466 1.797 66 HB3 SER 6 HB3 SER 6 10.308 -4.595 1.848 67 HG SER 6 HG SER 6 11.874 -6.238 0.698 68 H TRP 7 H TRP 7 10.260 -4.743 -1.362 69 HA TRP 7 HA TRP 7 8.291 -3.161 -2.599 70 HB2 TRP 7 HB2 TRP 7 7.658 -5.318 -3.778 71 HB3 TRP 7 HB3 TRP 7 9.342 -4.848 -3.931 72 HD1 TRP 7 HD1 TRP 7 11.154 -6.395 -2.727 73 HE1 TRP 7 HE1 TRP 7 11.071 -8.796 -1.867 74 HE3 TRP 7 HE3 TRP 7 6.074 -7.053 -2.693 75 HZ2 TRP 7 HZ2 TRP 7 9.100 -10.737 -1.244 76 HZ3 TRP 7 HZ3 TRP 7 5.180 -9.220 -1.949 77 HH2 TRP 7 HH2 TRP 7 6.655 -11.016 -1.238 78 H TYR 8 H TYR 8 8.153 -5.597 -0.126 79 HA TYR 8 HA TYR 8 5.307 -5.761 -0.167 80 HB2 TYR 8 HB2 TYR 8 5.544 -7.126 1.928 81 HB3 TYR 8 HB3 TYR 8 6.443 -7.734 0.554 82 HD1 TYR 8 HD1 TYR 8 8.758 -8.099 0.719 83 HD2 TYR 8 HD2 TYR 8 6.793 -5.844 3.741 84 HE1 TYR 8 HE1 TYR 8 10.791 -8.184 2.099 85 HE2 TYR 8 HE2 TYR 8 8.796 -5.912 5.114 86 HH TYR 8 HH TYR 8 10.769 -7.408 5.332 87 H ALA 9 H ALA 9 7.406 -3.541 1.077 88 HA ALA 9 HA ALA 9 5.938 -2.723 3.352 89 HB1 ALA 9 HB1 ALA 9 7.238 -0.630 3.236 90 HB2 ALA 9 HB2 ALA 9 7.842 -1.087 1.644 91 HB3 ALA 9 HB3 ALA 9 8.275 -2.044 3.058 92 H ALA 10 H ALA 10 6.090 -1.628 -0.042 93 HA ALA 10 HA ALA 10 3.987 0.258 0.276 94 HB1 ALA 10 HB1 ALA 10 4.170 0.472 -2.154 95 HB2 ALA 10 HB2 ALA 10 5.253 -0.921 -2.197 96 HB3 ALA 10 HB3 ALA 10 5.761 0.567 -1.401 97 H ALA 11 H ALA 11 4.383 -2.934 -1.211 98 HA ALA 11 HA ALA 11 1.835 -3.247 -2.279 99 HB1 ALA 11 HB1 ALA 11 2.260 -5.597 -2.294 100 HB2 ALA 11 HB2 ALA 11 3.523 -5.430 -1.084 101 HB3 ALA 11 HB3 ALA 11 3.758 -4.758 -2.698 102 H GLY 12 H GLY 12 2.892 -4.045 0.975 103 HA2 GLY 12 HA2 GLY 12 0.491 -5.216 1.783 104 HA3 GLY 12 HA3 GLY 12 1.670 -4.459 2.857 105 H ASP 13 H ASP 13 1.623 -1.903 2.206 106 HA ASP 13 HA ASP 13 -0.790 -1.042 3.457 107 HB2 ASP 13 HB2 ASP 13 1.483 0.057 3.741 108 HB3 ASP 13 HB3 ASP 13 1.294 0.640 2.109 109 H ALA 14 H ALA 14 0.506 -0.780 0.323 110 HA ALA 14 HA ALA 14 -1.352 0.934 -0.899 111 HB1 ALA 14 HB1 ALA 14 -0.364 0.259 -2.989 112 HB2 ALA 14 HB2 ALA 14 0.257 -1.218 -2.245 113 HB3 ALA 14 HB3 ALA 14 0.922 0.317 -1.767 114 H ILE 15 H ILE 15 -1.313 -2.608 -0.725 115 HA ILE 15 HA ILE 15 -3.712 -2.825 -2.292 116 HB ILE 15 HB ILE 15 -2.327 -4.890 -0.548 117 HG12 ILE 15 HG12 ILE 15 -2.335 -4.580 -3.560 118 HG13 ILE 15 HG13 ILE 15 -1.041 -4.043 -2.492 119 HG21 ILE 15 HG21 ILE 15 -4.690 -5.443 -0.849 120 HG22 ILE 15 HG22 ILE 15 -3.648 -6.553 -1.742 121 HG23 ILE 15 HG23 ILE 15 -4.518 -5.270 -2.600 122 HD11 ILE 15 HD11 ILE 15 -1.988 -6.860 -2.845 123 HD12 ILE 15 HD12 ILE 15 -0.767 -6.302 -1.714 124 HD13 ILE 15 HD13 ILE 15 -0.470 -6.166 -3.461 125 H VAL 16 H VAL 16 -2.953 -2.814 1.060 126 HA VAL 16 HA VAL 16 -5.584 -3.262 2.007 127 HB VAL 16 HB VAL 16 -3.355 -1.686 3.362 128 HG11 VAL 16 HG11 VAL 16 -5.936 -2.725 4.543 129 HG12 VAL 16 HG12 VAL 16 -5.542 -1.030 4.266 130 HG13 VAL 16 HG13 VAL 16 -4.622 -1.969 5.442 131 HG21 VAL 16 HG21 VAL 16 -4.333 -4.517 3.713 132 HG22 VAL 16 HG22 VAL 16 -3.107 -3.720 4.708 133 HG23 VAL 16 HG23 VAL 16 -2.797 -4.007 3.005 134 H SER 17 H SER 17 -3.954 -0.340 1.167 135 HA SER 17 HA SER 17 -6.060 1.457 1.799 136 HB2 SER 17 HB2 SER 17 -3.589 2.012 1.464 137 HB3 SER 17 HB3 SER 17 -3.899 1.888 -0.256 138 HG SER 17 HG SER 17 -4.731 3.814 1.567 139 H PHE 18 H PHE 18 -5.192 -0.397 -0.991 140 HA PHE 18 HA PHE 18 -6.862 0.691 -2.978 141 HB2 PHE 18 HB2 PHE 18 -4.997 -1.122 -3.037 142 HB3 PHE 18 HB3 PHE 18 -6.269 -2.243 -2.642 143 HD1 PHE 18 HD1 PHE 18 -8.438 -1.892 -4.306 144 HD2 PHE 18 HD2 PHE 18 -4.384 -1.023 -5.160 145 HE1 PHE 18 HE1 PHE 18 -8.903 -2.159 -6.705 146 HE2 PHE 18 HE2 PHE 18 -4.823 -1.263 -7.576 147 HZ PHE 18 HZ PHE 18 -7.093 -1.838 -8.349 148 H GLY 19 H GLY 19 -7.317 -1.778 -0.495 149 HA2 GLY 19 HA2 GLY 19 -10.004 -2.471 -1.088 150 HA3 GLY 19 HA3 GLY 19 -9.166 -2.753 0.439 151 H GLU 20 H GLU 20 -8.561 -0.229 1.227 152 HA GLU 20 HA GLU 20 -10.842 0.784 2.446 153 HB2 GLU 20 HB2 GLU 20 -8.288 2.245 1.734 154 HB3 GLU 20 HB3 GLU 20 -9.487 2.821 2.874 155 HG2 GLU 20 HG2 GLU 20 -7.979 0.244 3.185 156 HG3 GLU 20 HG3 GLU 20 -7.448 1.773 3.881 157 H GLY 21 H GLY 21 -9.349 1.613 -0.509 158 HA2 GLY 21 HA2 GLY 21 -10.789 3.878 -1.335 159 HA3 GLY 21 HA3 GLY 21 -10.086 2.687 -2.431 160 H PHE 22 H PHE 22 -11.474 0.511 -1.798 161 HA PHE 22 HA PHE 22 -13.944 0.890 -3.198 162 HB2 PHE 22 HB2 PHE 22 -12.691 -1.172 -3.493 163 HB3 PHE 22 HB3 PHE 22 -12.766 -1.508 -1.781 164 HD1 PHE 22 HD1 PHE 22 -14.432 -2.841 -0.921 165 HD2 PHE 22 HD2 PHE 22 -14.943 -1.089 -4.760 166 HE1 PHE 22 HE1 PHE 22 -16.461 -4.144 -1.224 167 HE2 PHE 22 HE2 PHE 22 -16.994 -2.407 -5.086 168 HZ PHE 22 HZ PHE 22 -17.761 -3.939 -3.319 169 H LEU 23 H LEU 23 -13.042 0.430 0.124 170 HA LEU 23 HA LEU 23 -15.643 0.026 1.184 171 HB2 LEU 23 HB2 LEU 23 -13.141 0.870 2.580 172 HB3 LEU 23 HB3 LEU 23 -14.616 0.325 3.363 173 HG LEU 23 HG LEU 23 -12.748 -1.297 1.652 174 HD11 LEU 23 HD11 LEU 23 -12.093 -1.114 3.964 175 HD12 LEU 23 HD12 LEU 23 -12.669 -2.745 3.600 176 HD13 LEU 23 HD13 LEU 23 -13.710 -1.622 4.463 177 HD21 LEU 23 HD21 LEU 23 -15.493 -2.035 2.628 178 HD22 LEU 23 HD22 LEU 23 -14.330 -3.171 1.928 179 HD23 LEU 23 HD23 LEU 23 -14.969 -1.845 0.953 180 H ASN 24 H ASN 24 -14.370 2.777 -0.013 181 HA ASN 24 HA ASN 24 -15.460 4.794 1.580 182 HB2 ASN 24 HB2 ASN 24 -15.273 6.210 -0.282 183 HB3 ASN 24 HB3 ASN 24 -14.137 4.939 -0.693 184 HD21 ASN 24 HD21 ASN 24 -14.872 3.283 -2.227 185 HD22 ASN 24 HD22 ASN 24 -16.048 3.718 -3.419 186 H ALA 25 H ALA 25 -17.018 2.519 -0.600 187 HA ALA 25 HA ALA 25 -19.644 3.698 -0.061 188 HB1 ALA 25 HB1 ALA 25 -19.027 3.699 -2.408 189 HB2 ALA 25 HB2 ALA 25 -20.362 2.579 -2.122 190 HB3 ALA 25 HB3 ALA 25 -18.719 1.966 -2.344 191 H TRP 26 H TRP 26 -17.623 0.993 0.400 192 HA TRP 26 HA TRP 26 -17.754 -0.959 1.439 193 HB2 TRP 26 HB2 TRP 26 -20.354 0.152 2.388 194 HB3 TRP 26 HB3 TRP 26 -19.778 -1.427 2.933 195 HD1 TRP 26 HD1 TRP 26 -19.397 2.281 3.511 196 HE1 TRP 26 HE1 TRP 26 -17.758 2.696 5.446 197 HE3 TRP 26 HE3 TRP 26 -17.593 -2.451 4.050 198 HZ2 TRP 26 HZ2 TRP 26 -15.918 1.216 6.986 199 HZ3 TRP 26 HZ3 TRP 26 -15.890 -2.881 5.765 200 HH2 TRP 26 HH2 TRP 26 -15.067 -1.089 7.214 Start of MODEL 8 1 H1 LYS 1 HT1 LYS 1 21.934 -4.288 -1.365 2 H2 LYS 1 HT2 LYS 1 20.769 -4.034 -0.191 3 H3 LYS 1 HT3 LYS 1 20.419 -4.972 -1.557 4 HA LYS 1 HA LYS 1 21.951 -6.617 -0.962 5 HB2 LYS 1 HB2 LYS 1 22.353 -4.995 1.544 6 HB3 LYS 1 HB3 LYS 1 22.986 -6.610 1.293 7 HG2 LYS 1 HG2 LYS 1 24.315 -5.749 -0.610 8 HG3 LYS 1 HG3 LYS 1 23.721 -4.134 -0.246 9 HD2 LYS 1 HD2 LYS 1 25.404 -5.879 1.550 10 HD3 LYS 1 HD3 LYS 1 25.923 -4.433 0.688 11 HE2 LYS 1 HE2 LYS 1 24.336 -3.093 1.996 12 HE3 LYS 1 HE3 LYS 1 23.860 -4.537 2.883 13 HZ1 LYS 1 HZ1 LYS 1 25.490 -3.250 4.121 14 HZ2 LYS 1 HZ2 LYS 1 26.552 -3.326 2.829 15 HZ3 LYS 1 HZ3 LYS 1 26.180 -4.721 3.669 16 H LYS 2 H LYS 2 20.142 -5.225 1.867 17 HA LYS 2 HA LYS 2 18.757 -7.796 1.791 18 HB2 LYS 2 HB2 LYS 2 18.470 -7.836 4.118 19 HB3 LYS 2 HB3 LYS 2 20.138 -7.406 3.838 20 HG2 LYS 2 HG2 LYS 2 17.925 -5.560 4.641 21 HG3 LYS 2 HG3 LYS 2 19.161 -6.204 5.725 22 HD2 LYS 2 HD2 LYS 2 20.833 -5.008 4.203 23 HD3 LYS 2 HD3 LYS 2 19.424 -4.195 3.508 24 HE2 LYS 2 HE2 LYS 2 20.350 -4.102 6.379 25 HE3 LYS 2 HE3 LYS 2 20.380 -2.786 5.218 26 HZ1 LYS 2 HZ1 LYS 2 17.891 -2.892 5.211 27 HZ2 LYS 2 HZ2 LYS 2 18.538 -2.519 6.712 28 HZ3 LYS 2 HZ3 LYS 2 17.980 -4.057 6.423 29 H LYS 3 H LYS 3 18.187 -4.744 0.991 30 HA LYS 3 HA LYS 3 15.471 -4.629 1.945 31 HB2 LYS 3 HB2 LYS 3 15.242 -2.623 0.565 32 HB3 LYS 3 HB3 LYS 3 16.680 -2.527 1.565 33 HG2 LYS 3 HG2 LYS 3 18.066 -3.134 -0.342 34 HG3 LYS 3 HG3 LYS 3 16.634 -3.267 -1.356 35 HD2 LYS 3 HD2 LYS 3 17.502 -0.749 0.057 36 HD3 LYS 3 HD3 LYS 3 17.887 -1.115 -1.623 37 HE2 LYS 3 HE2 LYS 3 15.470 -1.182 -2.119 38 HE3 LYS 3 HE3 LYS 3 15.137 -0.769 -0.434 39 HZ1 LYS 3 HZ1 LYS 3 15.082 1.167 -1.939 40 HZ2 LYS 3 HZ2 LYS 3 16.694 0.925 -2.306 41 HZ3 LYS 3 HZ3 LYS 3 16.270 1.345 -0.752 42 H LYS 4 H LYS 4 13.665 -5.011 0.783 43 HA LYS 4 HA LYS 4 14.054 -6.452 -1.740 44 HB2 LYS 4 HB2 LYS 4 11.780 -7.427 -1.330 45 HB3 LYS 4 HB3 LYS 4 12.968 -7.858 -0.111 46 HG2 LYS 4 HG2 LYS 4 12.008 -6.329 1.458 47 HG3 LYS 4 HG3 LYS 4 10.952 -5.646 0.220 48 HD2 LYS 4 HD2 LYS 4 9.747 -7.148 1.732 49 HD3 LYS 4 HD3 LYS 4 9.733 -7.746 0.081 50 HE2 LYS 4 HE2 LYS 4 11.466 -9.355 0.603 51 HE3 LYS 4 HE3 LYS 4 11.631 -8.698 2.233 52 HZ1 LYS 4 HZ1 LYS 4 9.373 -9.409 2.693 53 HZ2 LYS 4 HZ2 LYS 4 10.301 -10.721 2.187 54 HZ3 LYS 4 HZ3 LYS 4 9.206 -10.025 1.132 55 H GLN 5 H GLN 5 12.651 -3.666 -0.271 56 HA GLN 5 HA GLN 5 11.644 -2.717 -2.800 57 HB2 GLN 5 HB2 GLN 5 9.948 -3.065 -0.317 58 HB3 GLN 5 HB3 GLN 5 9.503 -2.040 -1.667 59 HG2 GLN 5 HG2 GLN 5 9.276 -3.914 -3.107 60 HG3 GLN 5 HG3 GLN 5 9.993 -4.990 -1.917 61 HE21 GLN 5 HE21 GLN 5 7.717 -2.517 -1.048 62 HE22 GLN 5 HE22 GLN 5 6.441 -3.580 -0.592 63 H SER 6 H SER 6 11.495 -0.525 -2.767 64 HA SER 6 HA SER 6 12.813 0.845 -0.585 65 HB2 SER 6 HB2 SER 6 11.763 1.900 -3.229 66 HB3 SER 6 HB3 SER 6 12.759 2.805 -2.091 67 HG SER 6 HG SER 6 13.388 0.743 -3.803 68 H TRP 7 H TRP 7 11.737 2.985 0.090 69 HA TRP 7 HA TRP 7 9.403 2.383 1.438 70 HB2 TRP 7 HB2 TRP 7 9.274 4.784 2.037 71 HB3 TRP 7 HB3 TRP 7 10.889 4.133 2.231 72 HD1 TRP 7 HD1 TRP 7 12.777 5.061 0.562 73 HE1 TRP 7 HE1 TRP 7 12.924 7.202 -0.821 74 HE3 TRP 7 HE3 TRP 7 7.867 6.393 0.668 75 HZ2 TRP 7 HZ2 TRP 7 11.162 9.229 -1.758 76 HZ3 TRP 7 HZ3 TRP 7 7.174 8.432 -0.486 77 HH2 TRP 7 HH2 TRP 7 8.781 9.823 -1.672 78 H TYR 8 H TYR 8 9.762 4.055 -1.595 79 HA TYR 8 HA TYR 8 6.979 4.661 -1.762 80 HB2 TYR 8 HB2 TYR 8 7.517 5.378 -4.135 81 HB3 TYR 8 HB3 TYR 8 8.397 6.210 -2.853 82 HD1 TYR 8 HD1 TYR 8 10.718 6.205 -2.815 83 HD2 TYR 8 HD2 TYR 8 8.679 3.556 -5.423 84 HE1 TYR 8 HE1 TYR 8 12.854 5.662 -3.913 85 HE2 TYR 8 HE2 TYR 8 10.777 2.989 -6.528 86 HH TYR 8 HH TYR 8 12.957 4.126 -6.854 87 H ALA 9 H ALA 9 8.854 2.026 -2.660 88 HA ALA 9 HA ALA 9 7.072 0.974 -4.633 89 HB1 ALA 9 HB1 ALA 9 8.399 -1.138 -4.383 90 HB2 ALA 9 HB2 ALA 9 9.241 -0.403 -3.026 91 HB3 ALA 9 HB3 ALA 9 9.407 0.285 -4.638 92 H ALA 10 H ALA 10 7.584 0.665 -1.178 93 HA ALA 10 HA ALA 10 5.554 -1.284 -0.714 94 HB1 ALA 10 HB1 ALA 10 6.901 0.700 1.127 95 HB2 ALA 10 HB2 ALA 10 7.456 -0.946 0.821 96 HB3 ALA 10 HB3 ALA 10 5.899 -0.669 1.609 97 H ALA 11 H ALA 11 5.852 2.210 -0.247 98 HA ALA 11 HA ALA 11 3.292 2.704 0.677 99 HB1 ALA 11 HB1 ALA 11 3.609 4.993 0.029 100 HB2 ALA 11 HB2 ALA 11 4.914 4.547 -1.071 101 HB3 ALA 11 HB3 ALA 11 5.130 4.371 0.669 102 H GLY 12 H GLY 12 4.388 2.539 -2.672 103 HA2 GLY 12 HA2 GLY 12 2.085 3.336 -3.939 104 HA3 GLY 12 HA3 GLY 12 3.270 2.203 -4.580 105 H ASP 13 H ASP 13 3.053 0.060 -3.030 106 HA ASP 13 HA ASP 13 0.538 -1.062 -3.900 107 HB2 ASP 13 HB2 ASP 13 2.716 -2.384 -3.731 108 HB3 ASP 13 HB3 ASP 13 2.506 -2.288 -1.998 109 H ALA 14 H ALA 14 2.001 -0.313 -0.921 110 HA ALA 14 HA ALA 14 0.203 -1.334 0.879 111 HB1 ALA 14 HB1 ALA 14 1.323 -0.010 2.543 112 HB2 ALA 14 HB2 ALA 14 1.798 1.169 1.320 113 HB3 ALA 14 HB3 ALA 14 2.530 -0.407 1.297 114 H ILE 15 H ILE 15 0.210 1.898 -0.566 115 HA ILE 15 HA ILE 15 -2.095 2.698 0.913 116 HB ILE 15 HB ILE 15 -0.765 4.029 -1.457 117 HG12 ILE 15 HG12 ILE 15 -0.624 4.729 1.478 118 HG13 ILE 15 HG13 ILE 15 0.588 3.785 0.616 119 HG21 ILE 15 HG21 ILE 15 -2.009 6.045 -0.816 120 HG22 ILE 15 HG22 ILE 15 -2.798 5.155 0.480 121 HG23 ILE 15 HG23 ILE 15 -3.137 4.739 -1.199 122 HD11 ILE 15 HD11 ILE 15 1.289 6.071 0.808 123 HD12 ILE 15 HD12 ILE 15 -0.210 6.607 0.031 124 HD13 ILE 15 HD13 ILE 15 0.957 5.633 -0.875 125 H VAL 16 H VAL 16 -1.541 1.596 -2.300 126 HA VAL 16 HA VAL 16 -4.208 1.905 -3.228 127 HB VAL 16 HB VAL 16 -2.166 -0.157 -4.114 128 HG11 VAL 16 HG11 VAL 16 -4.729 0.704 -5.456 129 HG12 VAL 16 HG12 VAL 16 -4.405 -0.864 -4.711 130 HG13 VAL 16 HG13 VAL 16 -3.518 -0.379 -6.155 131 HG21 VAL 16 HG21 VAL 16 -2.893 2.532 -5.295 132 HG22 VAL 16 HG22 VAL 16 -1.800 1.355 -6.027 133 HG23 VAL 16 HG23 VAL 16 -1.378 2.095 -4.495 134 H SER 17 H SER 17 -2.600 -0.726 -1.688 135 HA SER 17 HA SER 17 -4.839 -2.466 -1.603 136 HB2 SER 17 HB2 SER 17 -2.288 -2.429 0.007 137 HB3 SER 17 HB3 SER 17 -3.437 -3.777 -0.066 138 HG SER 17 HG SER 17 -1.398 -3.423 -1.691 139 H PHE 18 H PHE 18 -3.745 0.153 0.346 140 HA PHE 18 HA PHE 18 -5.198 -0.412 2.718 141 HB2 PHE 18 HB2 PHE 18 -3.257 1.299 2.156 142 HB3 PHE 18 HB3 PHE 18 -4.591 2.369 1.772 143 HD1 PHE 18 HD1 PHE 18 -2.318 1.636 4.167 144 HD2 PHE 18 HD2 PHE 18 -6.506 2.200 3.764 145 HE1 PHE 18 HE1 PHE 18 -2.459 2.211 6.559 146 HE2 PHE 18 HE2 PHE 18 -6.664 2.785 6.149 147 HZ PHE 18 HZ PHE 18 -4.641 2.787 7.550 148 H GLY 19 H GLY 19 -5.701 1.563 -0.164 149 HA2 GLY 19 HA2 GLY 19 -8.269 2.522 0.462 150 HA3 GLY 19 HA3 GLY 19 -7.563 2.441 -1.153 151 H GLU 20 H GLU 20 -7.200 -0.261 -1.476 152 HA GLU 20 HA GLU 20 -9.833 -1.099 -2.020 153 HB2 GLU 20 HB2 GLU 20 -7.216 -2.537 -2.161 154 HB3 GLU 20 HB3 GLU 20 -8.720 -3.326 -2.592 155 HG2 GLU 20 HG2 GLU 20 -9.036 -1.401 -4.244 156 HG3 GLU 20 HG3 GLU 20 -7.340 -1.031 -3.928 157 H GLY 21 H GLY 21 -7.754 -1.516 0.600 158 HA2 GLY 21 HA2 GLY 21 -9.000 -3.676 1.905 159 HA3 GLY 21 HA3 GLY 21 -8.085 -2.401 2.709 160 H PHE 22 H PHE 22 -9.494 -0.238 2.091 161 HA PHE 22 HA PHE 22 -11.700 -0.248 3.864 162 HB2 PHE 22 HB2 PHE 22 -10.594 1.847 3.444 163 HB3 PHE 22 HB3 PHE 22 -10.874 1.712 1.714 164 HD1 PHE 22 HD1 PHE 22 -12.661 2.094 4.944 165 HD2 PHE 22 HD2 PHE 22 -12.744 2.667 0.733 166 HE1 PHE 22 HE1 PHE 22 -14.769 3.352 5.152 167 HE2 PHE 22 HE2 PHE 22 -14.841 3.919 0.932 168 HZ PHE 22 HZ PHE 22 -15.858 4.264 3.152 169 H LEU 23 H LEU 23 -11.463 -0.563 0.411 170 HA LEU 23 HA LEU 23 -14.150 -0.230 -0.212 171 HB2 LEU 23 HB2 LEU 23 -11.978 -1.576 -1.750 172 HB3 LEU 23 HB3 LEU 23 -13.591 -1.314 -2.391 173 HG LEU 23 HG LEU 23 -11.627 0.816 -1.553 174 HD11 LEU 23 HD11 LEU 23 -11.078 -0.211 -3.666 175 HD12 LEU 23 HD12 LEU 23 -11.663 1.439 -3.900 176 HD13 LEU 23 HD13 LEU 23 -12.718 0.071 -4.253 177 HD21 LEU 23 HD21 LEU 23 -14.446 1.061 -2.579 178 HD22 LEU 23 HD22 LEU 23 -13.302 2.395 -2.434 179 HD23 LEU 23 HD23 LEU 23 -13.846 1.542 -0.987 180 H ASN 24 H ASN 24 -12.896 -2.861 1.370 181 HA ASN 24 HA ASN 24 -14.728 -4.837 0.407 182 HB2 ASN 24 HB2 ASN 24 -14.179 -6.180 2.319 183 HB3 ASN 24 HB3 ASN 24 -12.712 -5.324 1.901 184 HD21 ASN 24 HD21 ASN 24 -13.599 -2.759 3.258 185 HD22 ASN 24 HD22 ASN 24 -13.503 -3.128 4.932 186 H ALA 25 H ALA 25 -15.155 -2.018 2.169 187 HA ALA 25 HA ALA 25 -17.719 -2.808 3.334 188 HB1 ALA 25 HB1 ALA 25 -15.848 -0.561 4.068 189 HB2 ALA 25 HB2 ALA 25 -16.003 -2.093 4.924 190 HB3 ALA 25 HB3 ALA 25 -17.358 -0.962 4.895 191 H TRP 26 H TRP 26 -17.063 -2.051 0.608 192 HA TRP 26 HA TRP 26 -17.546 0.472 -0.232 193 HB2 TRP 26 HB2 TRP 26 -18.473 -0.525 -2.338 194 HB3 TRP 26 HB3 TRP 26 -16.925 -1.176 -1.825 195 HD1 TRP 26 HD1 TRP 26 -17.001 -3.730 -0.792 196 HE1 TRP 26 HE1 TRP 26 -18.591 -5.687 -1.325 197 HE3 TRP 26 HE3 TRP 26 -20.824 -1.134 -2.980 198 HZ2 TRP 26 HZ2 TRP 26 -21.100 -6.080 -2.489 199 HZ3 TRP 26 HZ3 TRP 26 -22.788 -2.387 -3.764 200 HH2 TRP 26 HH2 TRP 26 -22.916 -4.805 -3.536 Start of MODEL 9 1 H1 LYS 1 HT1 LYS 1 17.570 -9.326 6.329 2 H2 LYS 1 HT2 LYS 1 17.128 -9.798 4.768 3 H3 LYS 1 HT3 LYS 1 16.146 -8.759 5.642 4 HA LYS 1 HA LYS 1 17.828 -7.054 5.640 5 HB2 LYS 1 HB2 LYS 1 19.268 -8.989 3.839 6 HB3 LYS 1 HB3 LYS 1 19.737 -7.333 4.123 7 HG2 LYS 1 HG2 LYS 1 20.280 -7.777 6.411 8 HG3 LYS 1 HG3 LYS 1 19.603 -9.405 6.314 9 HD2 LYS 1 HD2 LYS 1 21.938 -8.428 4.670 10 HD3 LYS 1 HD3 LYS 1 22.099 -9.340 6.174 11 HE2 LYS 1 HE2 LYS 1 20.924 -11.221 5.203 12 HE3 LYS 1 HE3 LYS 1 20.605 -10.323 3.730 13 HZ1 LYS 1 HZ1 LYS 1 22.925 -10.288 3.242 14 HZ2 LYS 1 HZ2 LYS 1 22.410 -11.854 3.478 15 HZ3 LYS 1 HZ3 LYS 1 23.321 -11.106 4.672 16 H LYS 2 H LYS 2 15.911 -8.916 3.557 17 HA LYS 2 HA LYS 2 16.207 -7.049 1.391 18 HB2 LYS 2 HB2 LYS 2 16.012 -9.482 0.911 19 HB3 LYS 2 HB3 LYS 2 14.408 -9.469 1.619 20 HG2 LYS 2 HG2 LYS 2 13.576 -8.033 -0.107 21 HG3 LYS 2 HG3 LYS 2 15.189 -7.849 -0.797 22 HD2 LYS 2 HD2 LYS 2 15.254 -10.264 -1.259 23 HD3 LYS 2 HD3 LYS 2 13.631 -10.428 -0.592 24 HE2 LYS 2 HE2 LYS 2 12.758 -8.952 -2.336 25 HE3 LYS 2 HE3 LYS 2 14.383 -8.726 -2.971 26 HZ1 LYS 2 HZ1 LYS 2 12.886 -11.296 -2.913 27 HZ2 LYS 2 HZ2 LYS 2 14.468 -11.122 -3.403 28 HZ3 LYS 2 HZ3 LYS 2 13.241 -10.375 -4.282 29 H LYS 3 H LYS 3 15.327 -5.252 1.696 30 HA LYS 3 HA LYS 3 13.026 -4.714 3.344 31 HB2 LYS 3 HB2 LYS 3 14.536 -2.932 1.407 32 HB3 LYS 3 HB3 LYS 3 13.407 -2.388 2.643 33 HG2 LYS 3 HG2 LYS 3 14.855 -3.118 4.383 34 HG3 LYS 3 HG3 LYS 3 15.941 -3.891 3.233 35 HD2 LYS 3 HD2 LYS 3 16.423 -1.662 2.263 36 HD3 LYS 3 HD3 LYS 3 15.399 -0.928 3.498 37 HE2 LYS 3 HE2 LYS 3 16.835 -1.779 5.242 38 HE3 LYS 3 HE3 LYS 3 17.813 -2.637 4.056 39 HZ1 LYS 3 HZ1 LYS 3 18.384 -0.474 3.091 40 HZ2 LYS 3 HZ2 LYS 3 18.896 -0.620 4.679 41 HZ3 LYS 3 HZ3 LYS 3 17.542 0.303 4.319 42 H LYS 4 H LYS 4 13.781 -5.239 0.088 43 HA LYS 4 HA LYS 4 12.793 -5.580 -1.819 44 HB2 LYS 4 HB2 LYS 4 10.651 -6.691 -1.963 45 HB3 LYS 4 HB3 LYS 4 11.527 -7.305 -0.584 46 HG2 LYS 4 HG2 LYS 4 10.202 -5.515 0.679 47 HG3 LYS 4 HG3 LYS 4 9.075 -5.621 -0.686 48 HD2 LYS 4 HD2 LYS 4 8.282 -7.152 0.975 49 HD3 LYS 4 HD3 LYS 4 9.072 -8.144 -0.257 50 HE2 LYS 4 HE2 LYS 4 9.734 -8.884 1.982 51 HE3 LYS 4 HE3 LYS 4 11.121 -8.212 1.141 52 HZ1 LYS 4 HZ1 LYS 4 10.693 -6.094 2.379 53 HZ2 LYS 4 HZ2 LYS 4 11.079 -7.399 3.369 54 HZ3 LYS 4 HZ3 LYS 4 9.495 -6.908 3.239 55 H GLN 5 H GLN 5 11.065 -3.238 0.070 56 HA GLN 5 HA GLN 5 11.010 -1.573 -2.228 57 HB2 GLN 5 HB2 GLN 5 8.643 -1.086 -2.097 58 HB3 GLN 5 HB3 GLN 5 8.874 -2.796 -2.396 59 HG2 GLN 5 HG2 GLN 5 8.515 -3.193 0.055 60 HG3 GLN 5 HG3 GLN 5 8.106 -1.489 0.201 61 HE21 GLN 5 HE21 GLN 5 6.814 -1.480 -2.453 62 HE22 GLN 5 HE22 GLN 5 5.326 -2.327 -2.232 63 H SER 6 H SER 6 10.568 0.570 -1.567 64 HA SER 6 HA SER 6 11.720 1.170 0.963 65 HB2 SER 6 HB2 SER 6 10.440 2.994 -1.077 66 HB3 SER 6 HB3 SER 6 11.513 3.479 0.239 67 HG SER 6 HG SER 6 12.621 3.226 -1.778 68 H TRP 7 H TRP 7 10.687 2.661 2.496 69 HA TRP 7 HA TRP 7 8.376 1.603 3.573 70 HB2 TRP 7 HB2 TRP 7 8.277 3.601 5.062 71 HB3 TRP 7 HB3 TRP 7 9.857 2.839 4.998 72 HD1 TRP 7 HD1 TRP 7 11.838 4.270 3.848 73 HE1 TRP 7 HE1 TRP 7 12.096 6.748 3.354 74 HE3 TRP 7 HE3 TRP 7 6.971 5.721 4.436 75 HZ2 TRP 7 HZ2 TRP 7 10.473 9.055 3.251 76 HZ3 TRP 7 HZ3 TRP 7 6.415 8.098 4.137 77 HH2 TRP 7 HH2 TRP 7 8.135 9.727 3.558 78 H TYR 8 H TYR 8 8.607 4.439 1.546 79 HA TYR 8 HA TYR 8 5.816 5.000 1.795 80 HB2 TYR 8 HB2 TYR 8 6.134 6.734 0.082 81 HB3 TYR 8 HB3 TYR 8 7.312 6.855 1.382 82 HD1 TYR 8 HD1 TYR 8 6.797 6.056 -2.163 83 HD2 TYR 8 HD2 TYR 8 9.663 6.507 0.937 84 HE1 TYR 8 HE1 TYR 8 8.568 6.115 -3.837 85 HE2 TYR 8 HE2 TYR 8 11.467 6.563 -0.744 86 HH TYR 8 HH TYR 8 11.831 5.809 -3.058 87 H ALA 9 H ALA 9 7.580 2.931 -0.141 88 HA ALA 9 HA ALA 9 5.729 2.791 -2.314 89 HB1 ALA 9 HB1 ALA 9 8.051 2.094 -2.670 90 HB2 ALA 9 HB2 ALA 9 6.964 0.723 -2.936 91 HB3 ALA 9 HB3 ALA 9 7.869 0.849 -1.435 92 H ALA 10 H ALA 10 6.274 1.084 0.741 93 HA ALA 10 HA ALA 10 4.220 -0.830 0.372 94 HB1 ALA 10 HB1 ALA 10 6.130 -1.226 1.871 95 HB2 ALA 10 HB2 ALA 10 4.603 -1.266 2.745 96 HB3 ALA 10 HB3 ALA 10 5.645 0.159 2.846 97 H ALA 11 H ALA 11 4.626 2.130 2.268 98 HA ALA 11 HA ALA 11 2.058 2.314 3.323 99 HB1 ALA 11 HB1 ALA 11 3.767 4.627 2.426 100 HB2 ALA 11 HB2 ALA 11 3.952 3.790 3.964 101 HB3 ALA 11 HB3 ALA 11 2.471 4.686 3.615 102 H GLY 12 H GLY 12 3.209 3.535 0.226 103 HA2 GLY 12 HA2 GLY 12 0.864 4.761 -0.617 104 HA3 GLY 12 HA3 GLY 12 2.092 4.076 -1.676 105 H ASP 13 H ASP 13 1.988 1.478 -1.322 106 HA ASP 13 HA ASP 13 -0.398 0.766 -2.711 107 HB2 ASP 13 HB2 ASP 13 1.799 -0.346 -3.090 108 HB3 ASP 13 HB3 ASP 13 1.687 -1.045 -1.494 109 H ALA 14 H ALA 14 0.793 0.155 0.423 110 HA ALA 14 HA ALA 14 -1.128 -1.604 1.381 111 HB1 ALA 14 HB1 ALA 14 -0.212 -1.161 3.584 112 HB2 ALA 14 HB2 ALA 14 0.387 0.405 3.027 113 HB3 ALA 14 HB3 ALA 14 1.120 -1.034 2.406 114 H ILE 15 H ILE 15 -1.058 1.930 1.581 115 HA ILE 15 HA ILE 15 -3.482 2.027 3.120 116 HB ILE 15 HB ILE 15 -2.010 4.250 1.681 117 HG12 ILE 15 HG12 ILE 15 -2.112 3.595 4.624 118 HG13 ILE 15 HG13 ILE 15 -0.817 3.096 3.540 119 HG21 ILE 15 HG21 ILE 15 -4.381 4.827 2.010 120 HG22 ILE 15 HG22 ILE 15 -3.321 5.780 3.056 121 HG23 ILE 15 HG23 ILE 15 -4.223 4.422 3.726 122 HD11 ILE 15 HD11 ILE 15 -1.618 5.915 4.171 123 HD12 ILE 15 HD12 ILE 15 -0.372 5.419 3.031 124 HD13 ILE 15 HD13 ILE 15 -0.174 5.067 4.760 125 H VAL 16 H VAL 16 -2.645 2.457 -0.206 126 HA VAL 16 HA VAL 16 -5.257 3.147 -1.080 127 HB VAL 16 HB VAL 16 -3.026 1.836 -2.692 128 HG11 VAL 16 HG11 VAL 16 -5.207 1.434 -3.743 129 HG12 VAL 16 HG12 VAL 16 -4.236 2.560 -4.693 130 HG13 VAL 16 HG13 VAL 16 -5.553 3.165 -3.694 131 HG21 VAL 16 HG21 VAL 16 -2.695 4.091 -3.614 132 HG22 VAL 16 HG22 VAL 16 -2.417 4.025 -1.882 133 HG23 VAL 16 HG23 VAL 16 -3.920 4.718 -2.508 134 H SER 17 H SER 17 -3.679 0.137 -0.583 135 HA SER 17 HA SER 17 -5.687 -1.576 -1.652 136 HB2 SER 17 HB2 SER 17 -3.245 -2.186 -1.148 137 HB3 SER 17 HB3 SER 17 -3.716 -2.253 0.541 138 HG SER 17 HG SER 17 -4.430 -3.896 -1.587 139 H PHE 18 H PHE 18 -5.082 -0.113 1.424 140 HA PHE 18 HA PHE 18 -7.056 -1.404 2.946 141 HB2 PHE 18 HB2 PHE 18 -5.258 0.786 3.241 142 HB3 PHE 18 HB3 PHE 18 -6.839 1.253 3.847 143 HD1 PHE 18 HD1 PHE 18 -7.953 -0.361 5.421 144 HD2 PHE 18 HD2 PHE 18 -3.827 -0.464 4.512 145 HE1 PHE 18 HE1 PHE 18 -7.552 -1.618 7.498 146 HE2 PHE 18 HE2 PHE 18 -3.384 -1.735 6.575 147 HZ PHE 18 HZ PHE 18 -5.249 -2.320 8.076 148 H GLY 19 H GLY 19 -7.131 1.548 1.046 149 HA2 GLY 19 HA2 GLY 19 -9.805 2.286 1.456 150 HA3 GLY 19 HA3 GLY 19 -8.866 2.656 0.008 151 H GLU 20 H GLU 20 -8.391 0.291 -1.108 152 HA GLU 20 HA GLU 20 -10.794 -0.475 -2.331 153 HB2 GLU 20 HB2 GLU 20 -8.080 -1.747 -2.218 154 HB3 GLU 20 HB3 GLU 20 -9.375 -2.430 -3.179 155 HG2 GLU 20 HG2 GLU 20 -8.212 0.328 -3.501 156 HG3 GLU 20 HG3 GLU 20 -7.833 -1.077 -4.498 157 H GLY 21 H GLY 21 -9.066 -1.703 0.340 158 HA2 GLY 21 HA2 GLY 21 -10.417 -4.157 0.702 159 HA3 GLY 21 HA3 GLY 21 -9.525 -3.292 1.950 160 H PHE 22 H PHE 22 -11.122 -0.918 1.623 161 HA PHE 22 HA PHE 22 -13.355 -1.626 3.279 162 HB2 PHE 22 HB2 PHE 22 -12.222 0.459 3.724 163 HB3 PHE 22 HB3 PHE 22 -12.456 0.987 2.061 164 HD1 PHE 22 HD1 PHE 22 -14.356 0.010 5.090 165 HD2 PHE 22 HD2 PHE 22 -14.218 2.371 1.578 166 HE1 PHE 22 HE1 PHE 22 -16.397 1.192 5.813 167 HE2 PHE 22 HE2 PHE 22 -16.260 3.550 2.263 168 HZ PHE 22 HZ PHE 22 -17.356 2.952 4.402 169 H LEU 23 H LEU 23 -12.850 -0.429 0.004 170 HA LEU 23 HA LEU 23 -15.555 -0.080 -0.657 171 HB2 LEU 23 HB2 LEU 23 -13.225 -0.521 -2.497 172 HB3 LEU 23 HB3 LEU 23 -14.780 0.116 -2.975 173 HG LEU 23 HG LEU 23 -12.743 1.433 -1.190 174 HD11 LEU 23 HD11 LEU 23 -13.813 2.178 -3.896 175 HD12 LEU 23 HD12 LEU 23 -12.200 1.536 -3.526 176 HD13 LEU 23 HD13 LEU 23 -12.683 3.120 -2.918 177 HD21 LEU 23 HD21 LEU 23 -14.944 1.908 -0.339 178 HD22 LEU 23 HD22 LEU 23 -15.489 2.398 -1.958 179 HD23 LEU 23 HD23 LEU 23 -14.248 3.330 -1.116 180 H ASN 24 H ASN 24 -13.901 -2.930 -0.240 181 HA ASN 24 HA ASN 24 -14.943 -4.623 -2.215 182 HB2 ASN 24 HB2 ASN 24 -14.315 -6.476 -0.884 183 HB3 ASN 24 HB3 ASN 24 -13.157 -5.227 -0.506 184 HD21 ASN 24 HD21 ASN 24 -14.949 -3.770 1.475 185 HD22 ASN 24 HD22 ASN 24 -15.001 -4.851 2.801 186 H ALA 25 H ALA 25 -16.605 -3.066 0.318 187 HA ALA 25 HA ALA 25 -18.830 -4.964 0.165 188 HB1 ALA 25 HB1 ALA 25 -18.084 -2.994 2.312 189 HB2 ALA 25 HB2 ALA 25 -17.866 -4.739 2.397 190 HB3 ALA 25 HB3 ALA 25 -19.489 -4.053 2.347 191 H TRP 26 H TRP 26 -17.878 -2.286 -1.347 192 HA TRP 26 HA TRP 26 -20.481 -1.016 -1.167 193 HB2 TRP 26 HB2 TRP 26 -17.780 0.363 -1.256 194 HB3 TRP 26 HB3 TRP 26 -19.322 1.183 -1.487 195 HD1 TRP 26 HD1 TRP 26 -17.193 -0.477 1.239 196 HE1 TRP 26 HE1 TRP 26 -18.154 0.173 3.533 197 HE3 TRP 26 HE3 TRP 26 -21.436 1.939 -0.285 198 HZ2 TRP 26 HZ2 TRP 26 -20.371 1.524 4.560 199 HZ3 TRP 26 HZ3 TRP 26 -22.918 2.874 1.430 200 HH2 TRP 26 HH2 TRP 26 -22.398 2.678 3.794 Start of MODEL 10 1 H1 LYS 1 HT1 LYS 1 -13.123 3.577 5.057 2 H2 LYS 1 HT2 LYS 1 -13.572 2.913 6.546 3 H3 LYS 1 HT3 LYS 1 -14.736 3.249 5.368 4 HA LYS 1 HA LYS 1 -12.544 1.318 5.033 5 HB2 LYS 1 HB2 LYS 1 -14.310 -0.426 5.160 6 HB3 LYS 1 HB3 LYS 1 -14.112 0.430 6.677 7 HG2 LYS 1 HG2 LYS 1 -16.063 1.846 6.037 8 HG3 LYS 1 HG3 LYS 1 -16.328 0.778 4.657 9 HD2 LYS 1 HD2 LYS 1 -16.606 -1.104 6.229 10 HD3 LYS 1 HD3 LYS 1 -16.349 0.014 7.569 11 HE2 LYS 1 HE2 LYS 1 -18.288 1.344 6.725 12 HE3 LYS 1 HE3 LYS 1 -18.607 0.050 5.583 13 HZ1 LYS 1 HZ1 LYS 1 -18.875 -1.473 7.437 14 HZ2 LYS 1 HZ2 LYS 1 -19.932 -0.157 7.538 15 HZ3 LYS 1 HZ3 LYS 1 -18.558 -0.207 8.514 16 H LYS 2 H LYS 2 -14.586 3.499 3.469 17 HA LYS 2 HA LYS 2 -14.013 2.111 1.021 18 HB2 LYS 2 HB2 LYS 2 -16.325 1.426 1.707 19 HB3 LYS 2 HB3 LYS 2 -16.792 3.121 1.648 20 HG2 LYS 2 HG2 LYS 2 -17.512 2.067 -0.374 21 HG3 LYS 2 HG3 LYS 2 -16.190 3.161 -0.765 22 HD2 LYS 2 HD2 LYS 2 -14.629 1.224 -0.701 23 HD3 LYS 2 HD3 LYS 2 -16.012 0.175 -0.408 24 HE2 LYS 2 HE2 LYS 2 -16.980 0.936 -2.563 25 HE3 LYS 2 HE3 LYS 2 -15.519 1.880 -2.841 26 HZ1 LYS 2 HZ1 LYS 2 -15.662 -1.053 -2.515 27 HZ2 LYS 2 HZ2 LYS 2 -14.232 -0.164 -2.784 28 HZ3 LYS 2 HZ3 LYS 2 -15.422 -0.233 -3.961 29 H LYS 3 H LYS 3 -12.710 3.655 0.324 30 HA LYS 3 HA LYS 3 -13.597 6.446 0.317 31 HB2 LYS 3 HB2 LYS 3 -10.930 5.264 -0.554 32 HB3 LYS 3 HB3 LYS 3 -11.320 6.972 -0.468 33 HG2 LYS 3 HG2 LYS 3 -11.196 5.108 1.889 34 HG3 LYS 3 HG3 LYS 3 -9.924 6.219 1.391 35 HD2 LYS 3 HD2 LYS 3 -11.509 8.077 1.672 36 HD3 LYS 3 HD3 LYS 3 -12.708 6.929 2.268 37 HE2 LYS 3 HE2 LYS 3 -11.604 7.989 4.136 38 HE3 LYS 3 HE3 LYS 3 -11.188 6.280 4.075 39 HZ1 LYS 3 HZ1 LYS 3 -9.477 8.522 3.130 40 HZ2 LYS 3 HZ2 LYS 3 -9.062 6.899 3.029 41 HZ3 LYS 3 HZ3 LYS 3 -9.241 7.626 4.524 42 H LYS 4 H LYS 4 -11.730 4.650 -2.025 43 HA LYS 4 HA LYS 4 -13.753 4.859 -4.090 44 HB2 LYS 4 HB2 LYS 4 -12.184 6.025 -5.643 45 HB3 LYS 4 HB3 LYS 4 -12.605 7.036 -4.268 46 HG2 LYS 4 HG2 LYS 4 -10.440 6.343 -3.216 47 HG3 LYS 4 HG3 LYS 4 -10.044 5.528 -4.724 48 HD2 LYS 4 HD2 LYS 4 -10.654 8.490 -4.494 49 HD3 LYS 4 HD3 LYS 4 -9.036 7.813 -4.436 50 HE2 LYS 4 HE2 LYS 4 -9.336 8.606 -6.653 51 HE3 LYS 4 HE3 LYS 4 -9.497 6.858 -6.738 52 HZ1 LYS 4 HZ1 LYS 4 -11.862 7.085 -6.952 53 HZ2 LYS 4 HZ2 LYS 4 -11.136 8.078 -8.068 54 HZ3 LYS 4 HZ3 LYS 4 -11.793 8.742 -6.668 55 H GLN 5 H GLN 5 -11.993 2.995 -2.392 56 HA GLN 5 HA GLN 5 -10.870 1.411 -4.533 57 HB2 GLN 5 HB2 GLN 5 -9.732 2.073 -1.824 58 HB3 GLN 5 HB3 GLN 5 -9.119 0.792 -2.847 59 HG2 GLN 5 HG2 GLN 5 -8.317 2.350 -4.456 60 HG3 GLN 5 HG3 GLN 5 -9.196 3.672 -3.694 61 HE21 GLN 5 HE21 GLN 5 -6.411 1.516 -3.372 62 HE22 GLN 5 HE22 GLN 5 -5.661 2.464 -2.154 63 H SER 6 H SER 6 -10.950 -0.733 -3.957 64 HA SER 6 HA SER 6 -12.821 -1.431 -1.833 65 HB2 SER 6 HB2 SER 6 -11.645 -3.120 -4.044 66 HB3 SER 6 HB3 SER 6 -12.968 -3.584 -2.971 67 HG SER 6 HG SER 6 -12.923 -1.661 -5.023 68 H TRP 7 H TRP 7 -12.134 -3.576 -0.713 69 HA TRP 7 HA TRP 7 -9.983 -3.056 0.863 70 HB2 TRP 7 HB2 TRP 7 -10.150 -5.412 1.639 71 HB3 TRP 7 HB3 TRP 7 -11.703 -4.579 1.576 72 HD1 TRP 7 HD1 TRP 7 -13.436 -5.417 -0.355 73 HE1 TRP 7 HE1 TRP 7 -13.610 -7.634 -1.617 74 HE3 TRP 7 HE3 TRP 7 -8.818 -7.304 0.696 75 HZ2 TRP 7 HZ2 TRP 7 -12.006 -9.891 -2.104 76 HZ3 TRP 7 HZ3 TRP 7 -8.212 -9.516 -0.216 77 HH2 TRP 7 HH2 TRP 7 -9.780 -10.779 -1.584 78 H TYR 8 H TYR 8 -10.024 -5.042 -1.999 79 HA TYR 8 HA TYR 8 -7.330 -5.903 -1.723 80 HB2 TYR 8 HB2 TYR 8 -7.613 -6.702 -4.134 81 HB3 TYR 8 HB3 TYR 8 -8.732 -7.377 -2.959 82 HD1 TYR 8 HD1 TYR 8 -8.400 -4.906 -5.712 83 HD2 TYR 8 HD2 TYR 8 -11.052 -7.061 -3.187 84 HE1 TYR 8 HE1 TYR 8 -10.285 -4.213 -7.108 85 HE2 TYR 8 HE2 TYR 8 -12.944 -6.374 -4.580 86 HH TYR 8 HH TYR 8 -12.461 -4.890 -7.629 87 H ALA 9 H ALA 9 -8.843 -3.299 -3.251 88 HA ALA 9 HA ALA 9 -6.641 -2.540 -4.925 89 HB1 ALA 9 HB1 ALA 9 -8.911 -1.934 -5.527 90 HB2 ALA 9 HB2 ALA 9 -7.907 -0.486 -5.336 91 HB3 ALA 9 HB3 ALA 9 -9.049 -0.948 -4.072 92 H ALA 10 H ALA 10 -7.781 -1.726 -1.716 93 HA ALA 10 HA ALA 10 -5.916 0.326 -1.308 94 HB1 ALA 10 HB1 ALA 10 -7.435 -1.404 0.624 95 HB2 ALA 10 HB2 ALA 10 -7.979 0.154 -0.014 96 HB3 ALA 10 HB3 ALA 10 -6.561 0.075 1.041 97 H ALA 11 H ALA 11 -6.225 -3.055 -0.294 98 HA ALA 11 HA ALA 11 -3.813 -3.281 1.079 99 HB1 ALA 11 HB1 ALA 11 -5.631 -4.935 1.173 100 HB2 ALA 11 HB2 ALA 11 -4.055 -5.668 0.866 101 HB3 ALA 11 HB3 ALA 11 -5.208 -5.469 -0.454 102 H GLY 12 H GLY 12 -4.385 -4.000 -2.329 103 HA2 GLY 12 HA2 GLY 12 -1.812 -4.843 -2.933 104 HA3 GLY 12 HA3 GLY 12 -2.917 -4.106 -4.087 105 H ASP 13 H ASP 13 -3.204 -1.640 -3.319 106 HA ASP 13 HA ASP 13 -0.853 -0.348 -4.188 107 HB2 ASP 13 HB2 ASP 13 -3.148 0.512 -4.544 108 HB3 ASP 13 HB3 ASP 13 -3.271 0.816 -2.829 109 H ALA 14 H ALA 14 -2.413 -0.503 -1.153 110 HA ALA 14 HA ALA 14 -0.800 1.179 0.370 111 HB1 ALA 14 HB1 ALA 14 -2.298 -1.233 1.380 112 HB2 ALA 14 HB2 ALA 14 -3.051 0.269 0.983 113 HB3 ALA 14 HB3 ALA 14 -1.862 0.212 2.313 114 H ILE 15 H ILE 15 -0.565 -2.307 -0.158 115 HA ILE 15 HA ILE 15 1.629 -2.567 1.650 116 HB ILE 15 HB ILE 15 0.497 -4.502 -0.372 117 HG12 ILE 15 HG12 ILE 15 0.406 -4.480 2.636 118 HG13 ILE 15 HG13 ILE 15 -0.884 -3.905 1.573 119 HG21 ILE 15 HG21 ILE 15 2.631 -5.026 1.688 120 HG22 ILE 15 HG22 ILE 15 2.877 -5.019 -0.064 121 HG23 ILE 15 HG23 ILE 15 1.851 -6.249 0.684 122 HD11 ILE 15 HD11 ILE 15 -1.341 -6.127 2.383 123 HD12 ILE 15 HD12 ILE 15 0.215 -6.666 1.711 124 HD13 ILE 15 HD13 ILE 15 -1.069 -6.102 0.624 125 H VAL 16 H VAL 16 1.326 -2.414 -1.776 126 HA VAL 16 HA VAL 16 4.063 -2.683 -2.366 127 HB VAL 16 HB VAL 16 2.018 -1.060 -3.930 128 HG11 VAL 16 HG11 VAL 16 4.278 -0.324 -4.498 129 HG12 VAL 16 HG12 VAL 16 3.568 -1.236 -5.833 130 HG13 VAL 16 HG13 VAL 16 4.763 -1.996 -4.793 131 HG21 VAL 16 HG21 VAL 16 3.040 -3.877 -4.326 132 HG22 VAL 16 HG22 VAL 16 1.966 -3.007 -5.426 133 HG23 VAL 16 HG23 VAL 16 1.422 -3.397 -3.809 134 H SER 17 H SER 17 2.197 0.139 -1.622 135 HA SER 17 HA SER 17 4.390 1.952 -1.871 136 HB2 SER 17 HB2 SER 17 1.961 2.625 -2.076 137 HB3 SER 17 HB3 SER 17 1.831 2.423 -0.333 138 HG SER 17 HG SER 17 2.927 4.209 -0.020 139 H PHE 18 H PHE 18 3.046 0.068 0.713 140 HA PHE 18 HA PHE 18 4.335 1.203 2.934 141 HB2 PHE 18 HB2 PHE 18 2.474 -0.614 2.709 142 HB3 PHE 18 HB3 PHE 18 3.798 -1.735 2.563 143 HD1 PHE 18 HD1 PHE 18 1.499 -0.557 4.710 144 HD2 PHE 18 HD2 PHE 18 5.674 -1.245 4.541 145 HE1 PHE 18 HE1 PHE 18 1.555 -0.718 7.161 146 HE2 PHE 18 HE2 PHE 18 5.759 -1.419 7.001 147 HZ PHE 18 HZ PHE 18 3.693 -1.161 8.312 148 H GLY 19 H GLY 19 5.158 -1.476 0.776 149 HA2 GLY 19 HA2 GLY 19 7.627 -2.120 1.905 150 HA3 GLY 19 HA3 GLY 19 7.126 -2.504 0.255 151 H GLU 20 H GLU 20 6.797 -0.029 -0.818 152 HA GLU 20 HA GLU 20 9.449 0.672 -1.418 153 HB2 GLU 20 HB2 GLU 20 6.840 2.029 -2.049 154 HB3 GLU 20 HB3 GLU 20 8.368 2.600 -2.679 155 HG2 GLU 20 HG2 GLU 20 7.066 -0.066 -3.219 156 HG3 GLU 20 HG3 GLU 20 7.271 1.276 -4.340 157 H GLY 21 H GLY 21 7.200 1.835 0.834 158 HA2 GLY 21 HA2 GLY 21 8.320 4.318 1.529 159 HA3 GLY 21 HA3 GLY 21 7.377 3.277 2.603 160 H PHE 22 H PHE 22 9.007 1.094 2.528 161 HA PHE 22 HA PHE 22 11.145 1.906 4.262 162 HB2 PHE 22 HB2 PHE 22 9.934 -0.111 4.809 163 HB3 PHE 22 HB3 PHE 22 10.327 -0.813 3.238 164 HD1 PHE 22 HD1 PHE 22 11.980 -2.405 3.243 165 HD2 PHE 22 HD2 PHE 22 12.120 0.703 6.130 166 HE1 PHE 22 HE1 PHE 22 13.997 -3.407 4.200 167 HE2 PHE 22 HE2 PHE 22 14.151 -0.305 7.121 168 HZ PHE 22 HZ PHE 22 15.091 -2.365 6.146 169 H LEU 23 H LEU 23 10.835 0.409 1.089 170 HA LEU 23 HA LEU 23 13.573 -0.051 0.653 171 HB2 LEU 23 HB2 LEU 23 11.392 0.110 -1.414 172 HB3 LEU 23 HB3 LEU 23 12.985 -0.566 -1.643 173 HG LEU 23 HG LEU 23 10.821 -1.650 0.147 174 HD11 LEU 23 HD11 LEU 23 10.473 -2.136 -2.188 175 HD12 LEU 23 HD12 LEU 23 10.936 -3.594 -1.305 176 HD13 LEU 23 HD13 LEU 23 12.120 -2.756 -2.311 177 HD21 LEU 23 HD21 LEU 23 13.644 -2.600 -0.242 178 HD22 LEU 23 HD22 LEU 23 12.382 -3.485 0.628 179 HD23 LEU 23 HD23 LEU 23 12.959 -1.935 1.243 180 H ASN 24 H ASN 24 12.000 2.868 0.505 181 HA ASN 24 HA ASN 24 13.522 4.128 -1.522 182 HB2 ASN 24 HB2 ASN 24 12.806 6.223 -0.685 183 HB3 ASN 24 HB3 ASN 24 11.472 5.131 -0.386 184 HD21 ASN 24 HD21 ASN 24 12.803 3.961 2.137 185 HD22 ASN 24 HD22 ASN 24 12.656 5.230 3.261 186 H ALA 25 H ALA 25 14.502 2.929 1.476 187 HA ALA 25 HA ALA 25 16.917 4.609 1.544 188 HB1 ALA 25 HB1 ALA 25 15.511 4.810 3.549 189 HB2 ALA 25 HB2 ALA 25 17.049 4.035 3.926 190 HB3 ALA 25 HB3 ALA 25 15.584 3.066 3.777 191 H TRP 26 H TRP 26 16.261 2.282 -0.051 192 HA TRP 26 HA TRP 26 17.215 -0.141 0.675 193 HB2 TRP 26 HB2 TRP 26 17.691 -0.541 -1.740 194 HB3 TRP 26 HB3 TRP 26 16.103 0.142 -1.445 195 HD1 TRP 26 HD1 TRP 26 16.043 2.994 -1.919 196 HE1 TRP 26 HE1 TRP 26 17.131 4.265 -3.878 197 HE3 TRP 26 HE3 TRP 26 19.437 -0.517 -3.396 198 HZ2 TRP 26 HZ2 TRP 26 19.135 3.833 -5.781 199 HZ3 TRP 26 HZ3 TRP 26 20.901 -0.013 -5.306 200 HH2 TRP 26 HH2 TRP 26 20.741 2.126 -6.475 Start of MODEL 11 1 H1 LYS 1 HT1 LYS 1 17.044 5.675 -6.825 2 H2 LYS 1 HT2 LYS 1 17.294 5.479 -5.158 3 H3 LYS 1 HT3 LYS 1 15.884 6.154 -5.704 4 HA LYS 1 HA LYS 1 15.179 4.148 -6.719 5 HB2 LYS 1 HB2 LYS 1 17.767 3.002 -5.621 6 HB3 LYS 1 HB3 LYS 1 16.455 2.062 -6.312 7 HG2 LYS 1 HG2 LYS 1 16.789 3.080 -8.460 8 HG3 LYS 1 HG3 LYS 1 17.989 4.166 -7.781 9 HD2 LYS 1 HD2 LYS 1 19.161 2.444 -8.939 10 HD3 LYS 1 HD3 LYS 1 19.395 2.215 -7.216 11 HE2 LYS 1 HE2 LYS 1 17.347 0.669 -8.819 12 HE3 LYS 1 HE3 LYS 1 19.009 0.142 -8.628 13 HZ1 LYS 1 HZ1 LYS 1 17.619 -0.969 -7.090 14 HZ2 LYS 1 HZ2 LYS 1 17.035 0.431 -6.381 15 HZ3 LYS 1 HZ3 LYS 1 18.659 0.004 -6.240 16 H LYS 2 H LYS 2 17.055 3.999 -3.669 17 HA LYS 2 HA LYS 2 14.829 2.693 -2.383 18 HB2 LYS 2 HB2 LYS 2 17.232 2.121 -1.894 19 HB3 LYS 2 HB3 LYS 2 17.410 3.720 -1.190 20 HG2 LYS 2 HG2 LYS 2 15.737 3.163 0.499 21 HG3 LYS 2 HG3 LYS 2 15.579 1.546 -0.198 22 HD2 LYS 2 HD2 LYS 2 17.953 1.136 0.268 23 HD3 LYS 2 HD3 LYS 2 18.073 2.744 0.988 24 HE2 LYS 2 HE2 LYS 2 16.350 2.079 2.640 25 HE3 LYS 2 HE3 LYS 2 16.356 0.469 1.929 26 HZ1 LYS 2 HZ1 LYS 2 18.668 0.220 2.573 27 HZ2 LYS 2 HZ2 LYS 2 17.744 0.622 3.913 28 HZ3 LYS 2 HZ3 LYS 2 18.693 1.787 3.184 29 H LYS 3 H LYS 3 13.203 4.046 -2.277 30 HA LYS 3 HA LYS 3 13.485 6.841 -1.752 31 HB2 LYS 3 HB2 LYS 3 10.966 5.176 -1.862 32 HB3 LYS 3 HB3 LYS 3 11.072 6.927 -2.017 33 HG2 LYS 3 HG2 LYS 3 12.340 6.683 -4.071 34 HG3 LYS 3 HG3 LYS 3 12.313 4.933 -3.913 35 HD2 LYS 3 HD2 LYS 3 10.656 5.520 -5.509 36 HD3 LYS 3 HD3 LYS 3 9.818 5.048 -4.045 37 HE2 LYS 3 HE2 LYS 3 9.435 7.344 -3.447 38 HE3 LYS 3 HE3 LYS 3 10.407 7.894 -4.812 39 HZ1 LYS 3 HZ1 LYS 3 7.857 6.382 -5.005 40 HZ2 LYS 3 HZ2 LYS 3 8.757 6.936 -6.314 41 HZ3 LYS 3 HZ3 LYS 3 8.036 8.028 -5.263 42 H LYS 4 H LYS 4 11.402 4.518 -0.024 43 HA LYS 4 HA LYS 4 12.635 5.127 2.461 44 HB2 LYS 4 HB2 LYS 4 10.557 6.000 3.567 45 HB3 LYS 4 HB3 LYS 4 11.285 7.112 2.422 46 HG2 LYS 4 HG2 LYS 4 9.591 6.552 0.776 47 HG3 LYS 4 HG3 LYS 4 8.908 5.347 1.853 48 HD2 LYS 4 HD2 LYS 4 7.562 7.316 1.958 49 HD3 LYS 4 HD3 LYS 4 8.418 7.162 3.487 50 HE2 LYS 4 HE2 LYS 4 10.057 8.839 2.743 51 HE3 LYS 4 HE3 LYS 4 9.227 8.950 1.194 52 HZ1 LYS 4 HZ1 LYS 4 8.583 10.758 2.656 53 HZ2 LYS 4 HZ2 LYS 4 8.061 9.669 3.823 54 HZ3 LYS 4 HZ3 LYS 4 7.270 9.749 2.358 55 H GLN 5 H GLN 5 9.773 3.796 0.945 56 HA GLN 5 HA GLN 5 9.817 1.675 2.944 57 HB2 GLN 5 HB2 GLN 5 7.593 2.493 1.048 58 HB3 GLN 5 HB3 GLN 5 7.490 1.181 2.201 59 HG2 GLN 5 HG2 GLN 5 7.669 2.669 4.044 60 HG3 GLN 5 HG3 GLN 5 7.993 4.044 3.003 61 HE21 GLN 5 HE21 GLN 5 5.513 1.571 2.451 62 HE22 GLN 5 HE22 GLN 5 4.173 2.636 2.691 63 H SER 6 H SER 6 11.131 0.140 2.265 64 HA SER 6 HA SER 6 11.783 -0.619 -0.322 65 HB2 SER 6 HB2 SER 6 11.673 -2.372 2.122 66 HB3 SER 6 HB3 SER 6 12.786 -2.476 0.754 67 HG SER 6 HG SER 6 13.991 -1.000 1.632 68 H TRP 7 H TRP 7 11.284 -2.996 -1.147 69 HA TRP 7 HA TRP 7 8.712 -3.058 -2.050 70 HB2 TRP 7 HB2 TRP 7 9.169 -5.394 -2.777 71 HB3 TRP 7 HB3 TRP 7 10.494 -4.291 -3.147 72 HD1 TRP 7 HD1 TRP 7 12.754 -4.630 -1.722 73 HE1 TRP 7 HE1 TRP 7 13.690 -6.671 -0.507 74 HE3 TRP 7 HE3 TRP 7 8.499 -7.383 -1.456 75 HZ2 TRP 7 HZ2 TRP 7 12.740 -9.156 0.449 76 HZ3 TRP 7 HZ3 TRP 7 8.563 -9.567 -0.378 77 HH2 TRP 7 HH2 TRP 7 10.658 -10.457 0.562 78 H TYR 8 H TYR 8 9.967 -4.674 0.758 79 HA TYR 8 HA TYR 8 7.526 -6.070 1.317 80 HB2 TYR 8 HB2 TYR 8 8.638 -6.616 3.541 81 HB3 TYR 8 HB3 TYR 8 9.465 -7.188 2.103 82 HD1 TYR 8 HD1 TYR 8 9.528 -4.584 4.738 83 HD2 TYR 8 HD2 TYR 8 11.673 -6.490 1.607 84 HE1 TYR 8 HE1 TYR 8 11.578 -3.475 5.487 85 HE2 TYR 8 HE2 TYR 8 13.743 -5.379 2.339 86 HH TYR 8 HH TYR 8 13.966 -3.778 5.326 87 H ALA 9 H ALA 9 8.903 -3.149 2.309 88 HA ALA 9 HA ALA 9 7.146 -2.659 4.509 89 HB1 ALA 9 HB1 ALA 9 8.061 -0.348 4.450 90 HB2 ALA 9 HB2 ALA 9 8.884 -0.745 2.942 91 HB3 ALA 9 HB3 ALA 9 9.329 -1.574 4.436 92 H ALA 10 H ALA 10 7.288 -1.791 1.083 93 HA ALA 10 HA ALA 10 5.034 -0.166 1.047 94 HB1 ALA 10 HB1 ALA 10 6.734 -0.088 -0.704 95 HB2 ALA 10 HB2 ALA 10 5.154 -0.490 -1.380 96 HB3 ALA 10 HB3 ALA 10 6.363 -1.753 -1.146 97 H ALA 11 H ALA 11 5.630 -3.588 0.290 98 HA ALA 11 HA ALA 11 3.048 -4.266 -0.472 99 HB1 ALA 11 HB1 ALA 11 4.968 -6.037 1.030 100 HB2 ALA 11 HB2 ALA 11 4.977 -5.763 -0.707 101 HB3 ALA 11 HB3 ALA 11 3.596 -6.563 0.055 102 H GLY 12 H GLY 12 4.389 -4.215 2.779 103 HA2 GLY 12 HA2 GLY 12 2.100 -5.205 4.058 104 HA3 GLY 12 HA3 GLY 12 3.353 -4.219 4.813 105 H ASP 13 H ASP 13 3.234 -1.912 3.609 106 HA ASP 13 HA ASP 13 1.049 -0.646 4.874 107 HB2 ASP 13 HB2 ASP 13 3.199 0.390 4.824 108 HB3 ASP 13 HB3 ASP 13 3.263 0.314 3.079 109 H ALA 14 H ALA 14 1.881 -1.053 1.580 110 HA ALA 14 HA ALA 14 -0.184 0.443 0.373 111 HB1 ALA 14 HB1 ALA 14 1.272 -1.886 -0.860 112 HB2 ALA 14 HB2 ALA 14 1.977 -0.322 -0.676 113 HB3 ALA 14 HB3 ALA 14 0.545 -0.515 -1.716 114 H ILE 15 H ILE 15 -0.038 -2.980 1.209 115 HA ILE 15 HA ILE 15 -2.546 -3.525 -0.092 116 HB ILE 15 HB ILE 15 -0.943 -5.227 1.839 117 HG12 ILE 15 HG12 ILE 15 -1.333 -5.537 -1.139 118 HG13 ILE 15 HG13 ILE 15 0.076 -4.780 -0.400 119 HG21 ILE 15 HG21 ILE 15 -3.364 -5.995 0.210 120 HG22 ILE 15 HG22 ILE 15 -3.300 -5.870 1.969 121 HG23 ILE 15 HG23 ILE 15 -2.354 -7.108 1.129 122 HD11 ILE 15 HD11 ILE 15 0.541 -6.816 0.776 123 HD12 ILE 15 HD12 ILE 15 0.558 -7.072 -0.980 124 HD13 ILE 15 HD13 ILE 15 -0.826 -7.613 0.001 125 H VAL 16 H VAL 16 -1.554 -2.923 3.136 126 HA VAL 16 HA VAL 16 -4.096 -3.269 4.317 127 HB VAL 16 HB VAL 16 -1.924 -1.346 5.219 128 HG11 VAL 16 HG11 VAL 16 -3.033 -1.423 7.415 129 HG12 VAL 16 HG12 VAL 16 -4.351 -2.366 6.712 130 HG13 VAL 16 HG13 VAL 16 -4.055 -0.714 6.168 131 HG21 VAL 16 HG21 VAL 16 -2.549 -4.169 6.119 132 HG22 VAL 16 HG22 VAL 16 -1.371 -3.095 6.879 133 HG23 VAL 16 HG23 VAL 16 -1.119 -3.628 5.231 134 H SER 17 H SER 17 -2.629 -0.445 2.909 135 HA SER 17 HA SER 17 -4.885 1.210 3.335 136 HB2 SER 17 HB2 SER 17 -2.440 1.532 1.630 137 HB3 SER 17 HB3 SER 17 -3.706 2.765 1.735 138 HG SER 17 HG SER 17 -3.350 2.351 4.128 139 H PHE 18 H PHE 18 -4.007 -1.014 0.900 140 HA PHE 18 HA PHE 18 -5.732 -0.220 -1.177 141 HB2 PHE 18 HB2 PHE 18 -3.879 -2.030 -1.038 142 HB3 PHE 18 HB3 PHE 18 -5.128 -3.061 -0.391 143 HD1 PHE 18 HD1 PHE 18 -7.413 -2.877 -1.905 144 HD2 PHE 18 HD2 PHE 18 -3.426 -2.350 -3.213 145 HE1 PHE 18 HE1 PHE 18 -8.094 -3.524 -4.179 146 HE2 PHE 18 HE2 PHE 18 -4.075 -2.989 -5.508 147 HZ PHE 18 HZ PHE 18 -6.419 -3.581 -5.991 148 H GLY 19 H GLY 19 -6.077 -2.285 1.667 149 HA2 GLY 19 HA2 GLY 19 -8.785 -2.992 1.327 150 HA3 GLY 19 HA3 GLY 19 -7.882 -3.025 2.839 151 H GLU 20 H GLU 20 -7.186 -0.347 3.066 152 HA GLU 20 HA GLU 20 -9.457 0.838 4.193 153 HB2 GLU 20 HB2 GLU 20 -6.943 2.206 3.207 154 HB3 GLU 20 HB3 GLU 20 -8.144 2.899 4.282 155 HG2 GLU 20 HG2 GLU 20 -7.613 1.261 5.976 156 HG3 GLU 20 HG3 GLU 20 -6.424 0.516 4.909 157 H GLY 21 H GLY 21 -7.886 1.313 1.191 158 HA2 GLY 21 HA2 GLY 21 -9.491 3.331 0.057 159 HA3 GLY 21 HA3 GLY 21 -8.544 2.144 -0.849 160 H PHE 22 H PHE 22 -9.731 -0.126 -0.066 161 HA PHE 22 HA PHE 22 -11.893 -0.443 -1.810 162 HB2 PHE 22 HB2 PHE 22 -10.572 -2.353 -1.275 163 HB3 PHE 22 HB3 PHE 22 -10.830 -2.127 0.447 164 HD1 PHE 22 HD1 PHE 22 -12.594 -3.130 1.548 165 HD2 PHE 22 HD2 PHE 22 -12.511 -3.180 -2.707 166 HE1 PHE 22 HE1 PHE 22 -14.425 -4.723 1.553 167 HE2 PHE 22 HE2 PHE 22 -14.356 -4.805 -2.719 168 HZ PHE 22 HZ PHE 22 -15.323 -5.580 -0.592 169 H LEU 23 H LEU 23 -11.876 0.316 1.582 170 HA LEU 23 HA LEU 23 -14.622 -0.160 2.081 171 HB2 LEU 23 HB2 LEU 23 -12.754 1.684 3.563 172 HB3 LEU 23 HB3 LEU 23 -14.322 1.133 4.129 173 HG LEU 23 HG LEU 23 -11.864 -0.554 3.685 174 HD11 LEU 23 HD11 LEU 23 -11.996 -0.966 6.059 175 HD12 LEU 23 HD12 LEU 23 -13.347 0.168 6.190 176 HD13 LEU 23 HD13 LEU 23 -11.737 0.741 5.710 177 HD21 LEU 23 HD21 LEU 23 -14.616 -1.414 4.582 178 HD22 LEU 23 HD22 LEU 23 -13.170 -2.412 4.605 179 HD23 LEU 23 HD23 LEU 23 -13.821 -1.845 3.067 180 H ASN 24 H ASN 24 -13.303 2.189 0.137 181 HA ASN 24 HA ASN 24 -15.186 4.247 0.525 182 HB2 ASN 24 HB2 ASN 24 -14.562 5.121 -1.613 183 HB3 ASN 24 HB3 ASN 24 -13.123 4.417 -0.914 184 HD21 ASN 24 HD21 ASN 24 -13.862 1.580 -1.735 185 HD22 ASN 24 HD22 ASN 24 -13.605 1.560 -3.423 186 H ALA 25 H ALA 25 -15.571 1.108 -0.650 187 HA ALA 25 HA ALA 25 -18.155 1.799 -1.810 188 HB1 ALA 25 HB1 ALA 25 -16.335 -0.477 -2.553 189 HB2 ALA 25 HB2 ALA 25 -16.591 0.995 -3.487 190 HB3 ALA 25 HB3 ALA 25 -17.915 -0.147 -3.261 191 H TRP 26 H TRP 26 -16.390 -0.112 0.442 192 HA TRP 26 HA TRP 26 -16.837 -1.543 2.034 193 HB2 TRP 26 HB2 TRP 26 -19.608 -0.440 1.725 194 HB3 TRP 26 HB3 TRP 26 -19.195 -1.601 2.990 195 HD1 TRP 26 HD1 TRP 26 -19.126 2.016 2.121 196 HE1 TRP 26 HE1 TRP 26 -18.138 3.375 4.054 197 HE3 TRP 26 HE3 TRP 26 -17.255 -1.830 4.900 198 HZ2 TRP 26 HZ2 TRP 26 -16.714 2.867 6.459 199 HZ3 TRP 26 HZ3 TRP 26 -16.085 -1.315 6.986 200 HH2 TRP 26 HH2 TRP 26 -15.819 0.981 7.754 Start of MODEL 12 1 H1 LYS 1 HT1 LYS 1 11.738 11.531 -3.155 2 H2 LYS 1 HT2 LYS 1 11.910 10.713 -1.666 3 H3 LYS 1 HT3 LYS 1 11.696 9.852 -3.077 4 HA LYS 1 HA LYS 1 13.798 10.594 -3.919 5 HB2 LYS 1 HB2 LYS 1 14.169 11.820 -1.158 6 HB3 LYS 1 HB3 LYS 1 15.412 11.648 -2.370 7 HG2 LYS 1 HG2 LYS 1 14.845 13.905 -2.452 8 HG3 LYS 1 HG3 LYS 1 13.961 13.221 -3.803 9 HD2 LYS 1 HD2 LYS 1 11.904 13.219 -2.498 10 HD3 LYS 1 HD3 LYS 1 12.778 13.779 -1.074 11 HE2 LYS 1 HE2 LYS 1 13.420 15.817 -2.361 12 HE3 LYS 1 HE3 LYS 1 12.378 15.253 -3.668 13 HZ1 LYS 1 HZ1 LYS 1 11.503 15.886 -0.909 14 HZ2 LYS 1 HZ2 LYS 1 10.493 15.387 -2.145 15 HZ3 LYS 1 HZ3 LYS 1 11.291 16.875 -2.241 16 H LYS 2 H LYS 2 15.226 9.026 -3.814 17 HA LYS 2 HA LYS 2 16.368 7.231 -3.336 18 HB2 LYS 2 HB2 LYS 2 17.501 6.990 -1.185 19 HB3 LYS 2 HB3 LYS 2 17.578 8.628 -1.802 20 HG2 LYS 2 HG2 LYS 2 15.880 9.322 -0.205 21 HG3 LYS 2 HG3 LYS 2 15.739 7.666 0.374 22 HD2 LYS 2 HD2 LYS 2 18.068 7.707 1.092 23 HD3 LYS 2 HD3 LYS 2 18.233 9.347 0.469 24 HE2 LYS 2 HE2 LYS 2 16.608 10.159 2.042 25 HE3 LYS 2 HE3 LYS 2 16.298 8.524 2.624 26 HZ1 LYS 2 HZ1 LYS 2 18.870 9.972 2.838 27 HZ2 LYS 2 HZ2 LYS 2 18.544 8.429 3.462 28 HZ3 LYS 2 HZ3 LYS 2 17.768 9.765 4.077 29 H LYS 3 H LYS 3 13.302 7.186 -2.495 30 HA LYS 3 HA LYS 3 11.795 5.519 -2.172 31 HB2 LYS 3 HB2 LYS 3 14.189 3.685 -2.362 32 HB3 LYS 3 HB3 LYS 3 12.516 3.167 -2.417 33 HG2 LYS 3 HG2 LYS 3 12.150 4.135 -4.532 34 HG3 LYS 3 HG3 LYS 3 13.585 5.150 -4.390 35 HD2 LYS 3 HD2 LYS 3 13.671 2.139 -4.617 36 HD3 LYS 3 HD3 LYS 3 13.828 3.242 -5.987 37 HE2 LYS 3 HE2 LYS 3 15.799 4.274 -4.927 38 HE3 LYS 3 HE3 LYS 3 15.646 3.171 -3.570 39 HZ1 LYS 3 HZ1 LYS 3 17.319 2.479 -5.149 40 HZ2 LYS 3 HZ2 LYS 3 16.150 2.354 -6.369 41 HZ3 LYS 3 HZ3 LYS 3 16.090 1.350 -5.022 42 H LYS 4 H LYS 4 11.370 3.564 -0.645 43 HA LYS 4 HA LYS 4 12.866 3.485 1.795 44 HB2 LYS 4 HB2 LYS 4 11.073 4.366 3.344 45 HB3 LYS 4 HB3 LYS 4 11.525 5.579 2.175 46 HG2 LYS 4 HG2 LYS 4 9.622 5.171 0.915 47 HG3 LYS 4 HG3 LYS 4 9.125 3.915 2.063 48 HD2 LYS 4 HD2 LYS 4 8.947 5.407 3.827 49 HD3 LYS 4 HD3 LYS 4 9.891 6.637 2.979 50 HE2 LYS 4 HE2 LYS 4 7.700 7.351 2.872 51 HE3 LYS 4 HE3 LYS 4 8.248 6.643 1.327 52 HZ1 LYS 4 HZ1 LYS 4 6.584 5.180 3.304 53 HZ2 LYS 4 HZ2 LYS 4 6.880 4.662 1.727 54 HZ3 LYS 4 HZ3 LYS 4 5.915 6.000 2.029 55 H GLN 5 H GLN 5 10.339 2.307 -0.240 56 HA GLN 5 HA GLN 5 10.064 -0.054 1.469 57 HB2 GLN 5 HB2 GLN 5 7.986 1.227 -0.320 58 HB3 GLN 5 HB3 GLN 5 7.804 -0.292 0.510 59 HG2 GLN 5 HG2 GLN 5 7.636 0.679 2.580 60 HG3 GLN 5 HG3 GLN 5 8.369 2.192 2.073 61 HE21 GLN 5 HE21 GLN 5 5.506 0.299 2.186 62 HE22 GLN 5 HE22 GLN 5 4.383 1.524 1.711 63 H SER 6 H SER 6 10.973 -1.713 0.469 64 HA SER 6 HA SER 6 11.310 -1.840 -2.386 65 HB2 SER 6 HB2 SER 6 11.593 -4.010 -0.293 66 HB3 SER 6 HB3 SER 6 12.235 -4.059 -1.934 67 HG SER 6 HG SER 6 13.074 -2.630 0.291 68 H TRP 7 H TRP 7 10.389 -3.892 -3.513 69 HA TRP 7 HA TRP 7 7.692 -3.722 -3.747 70 HB2 TRP 7 HB2 TRP 7 7.757 -5.876 -4.946 71 HB3 TRP 7 HB3 TRP 7 9.088 -4.816 -5.412 72 HD1 TRP 7 HD1 TRP 7 11.569 -5.575 -4.657 73 HE1 TRP 7 HE1 TRP 7 12.509 -7.885 -3.930 74 HE3 TRP 7 HE3 TRP 7 7.194 -7.991 -3.792 75 HZ2 TRP 7 HZ2 TRP 7 11.510 -10.372 -3.127 76 HZ3 TRP 7 HZ3 TRP 7 7.252 -10.330 -3.041 77 HH2 TRP 7 HH2 TRP 7 9.357 -11.498 -2.726 78 H TYR 8 H TYR 8 9.362 -5.881 -1.571 79 HA TYR 8 HA TYR 8 6.925 -7.165 -0.747 80 HB2 TYR 8 HB2 TYR 8 8.352 -8.325 0.994 81 HB3 TYR 8 HB3 TYR 8 8.872 -8.565 -0.666 82 HD1 TYR 8 HD1 TYR 8 10.962 -7.684 -1.439 83 HD2 TYR 8 HD2 TYR 8 9.659 -6.933 2.526 84 HE1 TYR 8 HE1 TYR 8 13.210 -6.871 -0.861 85 HE2 TYR 8 HE2 TYR 8 11.875 -6.120 3.126 86 HH TYR 8 HH TYR 8 14.302 -6.490 2.217 87 H ALA 9 H ALA 9 8.766 -4.555 0.326 88 HA ALA 9 HA ALA 9 7.599 -4.323 2.939 89 HB1 ALA 9 HB1 ALA 9 9.032 -2.234 1.271 90 HB2 ALA 9 HB2 ALA 9 9.798 -3.332 2.412 91 HB3 ALA 9 HB3 ALA 9 8.666 -2.103 2.994 92 H ALA 10 H ALA 10 7.153 -2.977 -0.257 93 HA ALA 10 HA ALA 10 5.093 -1.195 0.303 94 HB1 ALA 10 HB1 ALA 10 6.453 -1.094 -1.733 95 HB2 ALA 10 HB2 ALA 10 4.731 -1.213 -2.103 96 HB3 ALA 10 HB3 ALA 10 5.769 -2.634 -2.248 97 H ALA 11 H ALA 11 5.136 -4.589 -0.689 98 HA ALA 11 HA ALA 11 2.425 -4.933 -1.221 99 HB1 ALA 11 HB1 ALA 11 4.223 -6.964 0.061 100 HB2 ALA 11 HB2 ALA 11 4.160 -6.618 -1.670 101 HB3 ALA 11 HB3 ALA 11 2.741 -7.272 -0.841 102 H GLY 12 H GLY 12 3.947 -4.938 1.936 103 HA2 GLY 12 HA2 GLY 12 1.652 -5.859 3.326 104 HA3 GLY 12 HA3 GLY 12 3.000 -4.964 4.029 105 H ASP 13 H ASP 13 3.029 -2.701 2.831 106 HA ASP 13 HA ASP 13 0.951 -1.192 4.037 107 HB2 ASP 13 HB2 ASP 13 3.156 -0.292 3.900 108 HB3 ASP 13 HB3 ASP 13 3.202 -0.519 2.163 109 H ALA 14 H ALA 14 1.739 -1.869 0.785 110 HA ALA 14 HA ALA 14 -0.154 -0.314 -0.575 111 HB1 ALA 14 HB1 ALA 14 1.889 -1.327 -1.568 112 HB2 ALA 14 HB2 ALA 14 0.428 -1.521 -2.551 113 HB3 ALA 14 HB3 ALA 14 1.051 -2.875 -1.605 114 H ILE 15 H ILE 15 -0.376 -3.654 0.539 115 HA ILE 15 HA ILE 15 -2.885 -4.021 -0.780 116 HB ILE 15 HB ILE 15 -1.509 -5.662 1.361 117 HG12 ILE 15 HG12 ILE 15 -1.971 -6.214 -1.566 118 HG13 ILE 15 HG13 ILE 15 -0.467 -5.605 -0.871 119 HG21 ILE 15 HG21 ILE 15 -4.015 -6.335 -0.160 120 HG22 ILE 15 HG22 ILE 15 -3.907 -6.007 1.586 121 HG23 ILE 15 HG23 ILE 15 -3.111 -7.430 0.887 122 HD11 ILE 15 HD11 ILE 15 -0.334 -7.983 -1.270 123 HD12 ILE 15 HD12 ILE 15 -1.789 -8.211 -0.281 124 HD13 ILE 15 HD13 ILE 15 -0.304 -7.600 0.464 125 H VAL 16 H VAL 16 -1.930 -3.316 2.443 126 HA VAL 16 HA VAL 16 -4.530 -3.173 3.558 127 HB VAL 16 HB VAL 16 -2.144 -1.521 4.411 128 HG11 VAL 16 HG11 VAL 16 -4.238 -0.721 5.368 129 HG12 VAL 16 HG12 VAL 16 -3.211 -1.441 6.609 130 HG13 VAL 16 HG13 VAL 16 -4.592 -2.341 5.974 131 HG21 VAL 16 HG21 VAL 16 -2.980 -4.297 5.257 132 HG22 VAL 16 HG22 VAL 16 -1.776 -3.315 6.089 133 HG23 VAL 16 HG23 VAL 16 -1.485 -3.825 4.433 134 H SER 17 H SER 17 -2.536 -0.795 2.044 135 HA SER 17 HA SER 17 -4.297 1.426 2.373 136 HB2 SER 17 HB2 SER 17 -1.868 1.728 2.028 137 HB3 SER 17 HB3 SER 17 -2.003 1.014 0.424 138 HG SER 17 HG SER 17 -2.970 3.493 1.365 139 H PHE 18 H PHE 18 -3.987 -1.111 0.037 140 HA PHE 18 HA PHE 18 -5.469 -0.046 -2.102 141 HB2 PHE 18 HB2 PHE 18 -3.998 -2.171 -1.883 142 HB3 PHE 18 HB3 PHE 18 -5.449 -2.938 -1.279 143 HD1 PHE 18 HD1 PHE 18 -7.576 -2.111 -2.984 144 HD2 PHE 18 HD2 PHE 18 -3.535 -2.845 -3.960 145 HE1 PHE 18 HE1 PHE 18 -8.248 -2.629 -5.312 146 HE2 PHE 18 HE2 PHE 18 -4.176 -3.353 -6.298 147 HZ PHE 18 HZ PHE 18 -6.539 -3.246 -6.964 148 H GLY 19 H GLY 19 -6.327 -2.056 0.698 149 HA2 GLY 19 HA2 GLY 19 -9.073 -2.299 0.100 150 HA3 GLY 19 HA3 GLY 19 -8.337 -2.558 1.678 151 H GLU 20 H GLU 20 -7.283 -0.106 2.181 152 HA GLU 20 HA GLU 20 -9.506 1.317 3.125 153 HB2 GLU 20 HB2 GLU 20 -6.620 2.129 2.825 154 HB3 GLU 20 HB3 GLU 20 -7.810 3.096 3.677 155 HG2 GLU 20 HG2 GLU 20 -6.944 0.306 4.413 156 HG3 GLU 20 HG3 GLU 20 -6.441 1.792 5.214 157 H GLY 21 H GLY 21 -7.400 1.726 0.465 158 HA2 GLY 21 HA2 GLY 21 -8.312 4.162 -0.565 159 HA3 GLY 21 HA3 GLY 21 -7.503 2.876 -1.471 160 H PHE 22 H PHE 22 -9.260 0.888 -1.180 161 HA PHE 22 HA PHE 22 -11.031 1.207 -3.306 162 HB2 PHE 22 HB2 PHE 22 -10.302 -0.969 -2.724 163 HB3 PHE 22 HB3 PHE 22 -10.856 -0.796 -1.070 164 HD1 PHE 22 HD1 PHE 22 -12.029 -1.172 -4.565 165 HD2 PHE 22 HD2 PHE 22 -12.978 -1.520 -0.440 166 HE1 PHE 22 HE1 PHE 22 -14.122 -2.336 -5.142 167 HE2 PHE 22 HE2 PHE 22 -15.052 -2.665 -0.991 168 HZ PHE 22 HZ PHE 22 -15.639 -3.086 -3.363 169 H LEU 23 H LEU 23 -11.506 1.759 0.078 170 HA LEU 23 HA LEU 23 -14.324 1.866 0.021 171 HB2 LEU 23 HB2 LEU 23 -12.420 3.061 2.013 172 HB3 LEU 23 HB3 LEU 23 -14.149 2.873 2.248 173 HG LEU 23 HG LEU 23 -12.106 0.670 1.996 174 HD11 LEU 23 HD11 LEU 23 -13.850 1.552 4.261 175 HD12 LEU 23 HD12 LEU 23 -12.092 1.744 4.145 176 HD13 LEU 23 HD13 LEU 23 -12.816 0.128 4.254 177 HD21 LEU 23 HD21 LEU 23 -15.101 0.450 2.320 178 HD22 LEU 23 HD22 LEU 23 -13.940 -0.878 2.433 179 HD23 LEU 23 HD23 LEU 23 -14.153 -0.026 0.903 180 H ASN 24 H ASN 24 -12.116 3.983 -1.285 181 HA ASN 24 HA ASN 24 -13.375 6.478 -0.862 182 HB2 ASN 24 HB2 ASN 24 -12.071 7.367 -2.627 183 HB3 ASN 24 HB3 ASN 24 -11.084 6.137 -1.865 184 HD21 ASN 24 HD21 ASN 24 -12.454 3.866 -3.290 185 HD22 ASN 24 HD22 ASN 24 -11.825 3.965 -4.896 186 H ALA 25 H ALA 25 -14.539 3.825 -2.492 187 HA ALA 25 HA ALA 25 -16.221 5.426 -4.286 188 HB1 ALA 25 HB1 ALA 25 -14.942 3.631 -5.363 189 HB2 ALA 25 HB2 ALA 25 -16.675 3.325 -5.461 190 HB3 ALA 25 HB3 ALA 25 -15.689 2.450 -4.287 191 H TRP 26 H TRP 26 -16.328 4.650 -1.279 192 HA TRP 26 HA TRP 26 -19.026 3.559 -1.247 193 HB2 TRP 26 HB2 TRP 26 -16.815 3.492 0.811 194 HB3 TRP 26 HB3 TRP 26 -18.485 3.069 1.185 195 HD1 TRP 26 HD1 TRP 26 -16.059 1.963 -1.668 196 HE1 TRP 26 HE1 TRP 26 -16.146 -0.592 -1.813 197 HE3 TRP 26 HE3 TRP 26 -19.326 1.041 2.155 198 HZ2 TRP 26 HZ2 TRP 26 -17.389 -2.728 -0.463 199 HZ3 TRP 26 HZ3 TRP 26 -19.901 -1.283 2.664 200 HH2 TRP 26 HH2 TRP 26 -18.944 -3.137 1.384 Start of MODEL 13 1 H1 LYS 1 HT1 LYS 1 19.165 0.485 -1.704 2 H2 LYS 1 HT2 LYS 1 19.379 0.282 -3.380 3 H3 LYS 1 HT3 LYS 1 18.017 1.030 -2.770 4 HA LYS 1 HA LYS 1 20.728 2.084 -2.428 5 HB2 LYS 1 HB2 LYS 1 18.496 2.990 -4.281 6 HB3 LYS 1 HB3 LYS 1 20.002 3.853 -4.037 7 HG2 LYS 1 HG2 LYS 1 19.645 1.146 -5.325 8 HG3 LYS 1 HG3 LYS 1 20.145 2.650 -6.107 9 HD2 LYS 1 HD2 LYS 1 22.197 2.662 -4.764 10 HD3 LYS 1 HD3 LYS 1 21.694 1.170 -3.975 11 HE2 LYS 1 HE2 LYS 1 22.341 1.533 -6.892 12 HE3 LYS 1 HE3 LYS 1 23.298 0.669 -5.699 13 HZ1 LYS 1 HZ1 LYS 1 22.064 -0.933 -6.947 14 HZ2 LYS 1 HZ2 LYS 1 20.637 -0.121 -6.759 15 HZ3 LYS 1 HZ3 LYS 1 21.349 -0.877 -5.434 16 H LYS 2 H LYS 2 20.041 4.696 -2.193 17 HA LYS 2 HA LYS 2 19.132 4.658 0.495 18 HB2 LYS 2 HB2 LYS 2 19.505 7.082 0.466 19 HB3 LYS 2 HB3 LYS 2 20.892 6.145 -0.072 20 HG2 LYS 2 HG2 LYS 2 20.300 6.630 -2.386 21 HG3 LYS 2 HG3 LYS 2 18.908 7.528 -1.816 22 HD2 LYS 2 HD2 LYS 2 21.731 8.229 -1.008 23 HD3 LYS 2 HD3 LYS 2 20.922 8.972 -2.394 24 HE2 LYS 2 HE2 LYS 2 19.189 9.836 -0.940 25 HE3 LYS 2 HE3 LYS 2 19.898 9.020 0.447 26 HZ1 LYS 2 HZ1 LYS 2 21.215 11.135 -1.140 27 HZ2 LYS 2 HZ2 LYS 2 21.817 10.416 0.272 28 HZ3 LYS 2 HZ3 LYS 2 20.433 11.359 0.334 29 H LYS 3 H LYS 3 17.017 3.790 -0.726 30 HA LYS 3 HA LYS 3 15.072 5.868 -0.092 31 HB2 LYS 3 HB2 LYS 3 14.831 3.774 -2.239 32 HB3 LYS 3 HB3 LYS 3 13.407 4.542 -1.551 33 HG2 LYS 3 HG2 LYS 3 14.424 6.746 -2.216 34 HG3 LYS 3 HG3 LYS 3 15.630 5.820 -3.119 35 HD2 LYS 3 HD2 LYS 3 13.891 4.817 -4.473 36 HD3 LYS 3 HD3 LYS 3 12.651 5.610 -3.500 37 HE2 LYS 3 HE2 LYS 3 13.451 7.784 -4.226 38 HE3 LYS 3 HE3 LYS 3 14.731 7.018 -5.159 39 HZ1 LYS 3 HZ1 LYS 3 12.817 7.640 -6.515 40 HZ2 LYS 3 HZ2 LYS 3 11.835 6.598 -5.621 41 HZ3 LYS 3 HZ3 LYS 3 13.100 5.989 -6.555 42 H LYS 4 H LYS 4 13.382 5.268 1.194 43 HA LYS 4 HA LYS 4 14.116 3.030 2.908 44 HB2 LYS 4 HB2 LYS 4 12.637 4.057 4.534 45 HB3 LYS 4 HB3 LYS 4 13.795 5.228 3.925 46 HG2 LYS 4 HG2 LYS 4 12.027 6.081 2.402 47 HG3 LYS 4 HG3 LYS 4 10.895 4.972 3.173 48 HD2 LYS 4 HD2 LYS 4 12.396 7.225 4.498 49 HD3 LYS 4 HD3 LYS 4 10.675 7.192 4.108 50 HE2 LYS 4 HE2 LYS 4 10.400 5.260 5.624 51 HE3 LYS 4 HE3 LYS 4 12.103 5.390 6.054 52 HZ1 LYS 4 HZ1 LYS 4 10.674 6.481 7.663 53 HZ2 LYS 4 HZ2 LYS 4 10.068 7.501 6.485 54 HZ3 LYS 4 HZ3 LYS 4 11.691 7.596 6.926 55 H GLN 5 H GLN 5 12.365 3.103 0.298 56 HA GLN 5 HA GLN 5 10.308 1.363 1.437 57 HB2 GLN 5 HB2 GLN 5 9.921 3.278 -0.850 58 HB3 GLN 5 HB3 GLN 5 8.776 2.051 -0.371 59 HG2 GLN 5 HG2 GLN 5 8.479 3.114 1.805 60 HG3 GLN 5 HG3 GLN 5 9.683 4.325 1.381 61 HE21 GLN 5 HE21 GLN 5 7.357 3.138 -0.937 62 HE22 GLN 5 HE22 GLN 5 6.444 4.587 -1.057 63 H SER 6 H SER 6 10.976 -0.572 0.953 64 HA SER 6 HA SER 6 12.007 -1.346 -1.590 65 HB2 SER 6 HB2 SER 6 10.791 -3.050 0.578 66 HB3 SER 6 HB3 SER 6 12.007 -3.520 -0.612 67 HG SER 6 HG SER 6 13.503 -2.675 0.564 68 H TRP 7 H TRP 7 10.688 -3.296 -2.642 69 HA TRP 7 HA TRP 7 8.304 -2.383 -3.653 70 HB2 TRP 7 HB2 TRP 7 7.911 -4.696 -4.474 71 HB3 TRP 7 HB3 TRP 7 9.543 -4.146 -4.786 72 HD1 TRP 7 HD1 TRP 7 11.513 -5.346 -3.406 73 HE1 TRP 7 HE1 TRP 7 11.647 -7.587 -2.224 74 HE3 TRP 7 HE3 TRP 7 6.529 -6.380 -3.129 75 HZ2 TRP 7 HZ2 TRP 7 9.873 -9.564 -1.263 76 HZ3 TRP 7 HZ3 TRP 7 5.822 -8.497 -2.048 77 HH2 TRP 7 HH2 TRP 7 7.459 -10.044 -1.141 78 H TYR 8 H TYR 8 8.781 -4.476 -0.900 79 HA TYR 8 HA TYR 8 5.988 -4.899 -0.483 80 HB2 TYR 8 HB2 TYR 8 6.668 -6.033 1.645 81 HB3 TYR 8 HB3 TYR 8 7.426 -6.675 0.199 82 HD1 TYR 8 HD1 TYR 8 9.758 -6.764 0.003 83 HD2 TYR 8 HD2 TYR 8 8.035 -4.538 3.168 84 HE1 TYR 8 HE1 TYR 8 11.969 -6.561 1.046 85 HE2 TYR 8 HE2 TYR 8 10.234 -4.300 4.217 86 HH TYR 8 HH TYR 8 12.338 -5.452 4.237 87 H ALA 9 H ALA 9 8.117 -2.490 0.396 88 HA ALA 9 HA ALA 9 6.780 -1.618 2.759 89 HB1 ALA 9 HB1 ALA 9 8.581 -0.011 0.920 90 HB2 ALA 9 HB2 ALA 9 9.128 -0.970 2.291 91 HB3 ALA 9 HB3 ALA 9 8.107 0.439 2.554 92 H ALA 10 H ALA 10 6.663 -0.849 -0.669 93 HA ALA 10 HA ALA 10 4.610 1.090 -0.407 94 HB1 ALA 10 HB1 ALA 10 4.503 0.932 -2.838 95 HB2 ALA 10 HB2 ALA 10 5.542 -0.493 -2.789 96 HB3 ALA 10 HB3 ALA 10 6.183 1.077 -2.309 97 H ALA 11 H ALA 11 4.802 -2.279 -1.488 98 HA ALA 11 HA ALA 11 2.118 -2.640 -2.138 99 HB1 ALA 11 HB1 ALA 11 3.951 -4.750 -1.038 100 HB2 ALA 11 HB2 ALA 11 3.935 -4.208 -2.717 101 HB3 ALA 11 HB3 ALA 11 2.513 -4.992 -2.030 102 H GLY 12 H GLY 12 3.610 -3.176 1.007 103 HA2 GLY 12 HA2 GLY 12 1.345 -4.239 2.254 104 HA3 GLY 12 HA3 GLY 12 2.647 -3.392 3.074 105 H ASP 13 H ASP 13 2.524 -0.931 2.113 106 HA ASP 13 HA ASP 13 0.374 0.205 3.593 107 HB2 ASP 13 HB2 ASP 13 2.674 1.226 3.387 108 HB3 ASP 13 HB3 ASP 13 2.327 1.486 1.695 109 H ALA 14 H ALA 14 1.175 0.010 0.287 110 HA ALA 14 HA ALA 14 -0.840 1.549 -0.872 111 HB1 ALA 14 HB1 ALA 14 0.483 -0.826 -2.151 112 HB2 ALA 14 HB2 ALA 14 1.293 0.683 -1.945 113 HB3 ALA 14 HB3 ALA 14 -0.153 0.604 -2.980 114 H ILE 15 H ILE 15 -0.784 -1.925 -0.188 115 HA ILE 15 HA ILE 15 -3.328 -2.315 -1.439 116 HB ILE 15 HB ILE 15 -1.699 -4.170 0.300 117 HG12 ILE 15 HG12 ILE 15 -2.159 -4.183 -2.680 118 HG13 ILE 15 HG13 ILE 15 -0.758 -3.473 -1.890 119 HG21 ILE 15 HG21 ILE 15 -3.119 -5.968 -0.505 120 HG22 ILE 15 HG22 ILE 15 -4.143 -4.805 -1.363 121 HG23 ILE 15 HG23 ILE 15 -4.073 -4.788 0.402 122 HD11 ILE 15 HD11 ILE 15 -0.194 -5.556 -0.946 123 HD12 ILE 15 HD12 ILE 15 -0.268 -5.704 -2.719 124 HD13 ILE 15 HD13 ILE 15 -1.575 -6.347 -1.696 125 H VAL 16 H VAL 16 -2.245 -1.915 1.807 126 HA VAL 16 HA VAL 16 -4.745 -2.319 3.046 127 HB VAL 16 HB VAL 16 -2.645 -0.318 3.943 128 HG11 VAL 16 HG11 VAL 16 -4.795 0.139 4.975 129 HG12 VAL 16 HG12 VAL 16 -3.705 -0.544 6.183 130 HG13 VAL 16 HG13 VAL 16 -4.958 -1.549 5.448 131 HG21 VAL 16 HG21 VAL 16 -1.949 -2.080 5.523 132 HG22 VAL 16 HG22 VAL 16 -1.707 -2.549 3.849 133 HG23 VAL 16 HG23 VAL 16 -3.079 -3.193 4.756 134 H SER 17 H SER 17 -3.367 0.576 1.734 135 HA SER 17 HA SER 17 -5.662 2.138 2.222 136 HB2 SER 17 HB2 SER 17 -3.254 2.618 0.502 137 HB3 SER 17 HB3 SER 17 -4.556 3.799 0.698 138 HG SER 17 HG SER 17 -4.170 3.397 3.041 139 H PHE 18 H PHE 18 -4.790 -0.004 -0.263 140 HA PHE 18 HA PHE 18 -6.509 0.916 -2.322 141 HB2 PHE 18 HB2 PHE 18 -4.602 -0.879 -2.262 142 HB3 PHE 18 HB3 PHE 18 -5.897 -1.989 -1.842 143 HD1 PHE 18 HD1 PHE 18 -7.920 -2.061 -3.465 144 HD2 PHE 18 HD2 PHE 18 -4.128 -0.430 -4.448 145 HE1 PHE 18 HE1 PHE 18 -8.441 -2.315 -5.865 146 HE2 PHE 18 HE2 PHE 18 -4.639 -0.662 -6.844 147 HZ PHE 18 HZ PHE 18 -6.795 -1.605 -7.555 148 H GLY 19 H GLY 19 -6.801 -1.244 0.428 149 HA2 GLY 19 HA2 GLY 19 -9.512 -2.018 0.068 150 HA3 GLY 19 HA3 GLY 19 -8.577 -2.104 1.560 151 H GLU 20 H GLU 20 -7.921 0.617 1.802 152 HA GLU 20 HA GLU 20 -10.202 1.710 2.993 153 HB2 GLU 20 HB2 GLU 20 -7.729 3.157 2.034 154 HB3 GLU 20 HB3 GLU 20 -8.917 3.802 3.152 155 HG2 GLU 20 HG2 GLU 20 -8.372 2.015 4.721 156 HG3 GLU 20 HG3 GLU 20 -7.116 1.443 3.622 157 H GLY 21 H GLY 21 -8.913 1.919 -0.141 158 HA2 GLY 21 HA2 GLY 21 -10.418 4.041 -1.235 159 HA3 GLY 21 HA3 GLY 21 -9.774 2.688 -2.170 160 H PHE 22 H PHE 22 -11.050 0.630 -1.111 161 HA PHE 22 HA PHE 22 -13.593 0.610 -2.307 162 HB2 PHE 22 HB2 PHE 22 -12.474 -1.490 -2.031 163 HB3 PHE 22 HB3 PHE 22 -12.302 -1.249 -0.303 164 HD1 PHE 22 HD1 PHE 22 -14.892 -1.767 -2.940 165 HD2 PHE 22 HD2 PHE 22 -13.821 -2.177 1.161 166 HE1 PHE 22 HE1 PHE 22 -16.947 -3.076 -2.524 167 HE2 PHE 22 HE2 PHE 22 -15.866 -3.461 1.583 168 HZ PHE 22 HZ PHE 22 -17.429 -3.918 -0.265 169 H LEU 23 H LEU 23 -12.574 1.180 0.955 170 HA LEU 23 HA LEU 23 -15.095 1.018 2.201 171 HB2 LEU 23 HB2 LEU 23 -12.622 2.426 3.165 172 HB3 LEU 23 HB3 LEU 23 -14.031 2.080 4.143 173 HG LEU 23 HG LEU 23 -12.138 0.069 2.941 174 HD11 LEU 23 HD11 LEU 23 -11.246 1.201 4.874 175 HD12 LEU 23 HD12 LEU 23 -11.658 -0.476 5.259 176 HD13 LEU 23 HD13 LEU 23 -12.718 0.840 5.778 177 HD21 LEU 23 HD21 LEU 23 -14.385 -0.827 2.873 178 HD22 LEU 23 HD22 LEU 23 -14.649 -0.369 4.558 179 HD23 LEU 23 HD23 LEU 23 -13.472 -1.620 4.159 180 H ASN 24 H ASN 24 -14.023 3.375 0.131 181 HA ASN 24 HA ASN 24 -15.145 5.728 1.219 182 HB2 ASN 24 HB2 ASN 24 -15.060 6.712 -0.930 183 HB3 ASN 24 HB3 ASN 24 -13.699 5.612 -0.866 184 HD21 ASN 24 HD21 ASN 24 -15.367 3.176 -1.457 185 HD22 ASN 24 HD22 ASN 24 -15.790 3.344 -3.108 186 H ALA 25 H ALA 25 -16.729 2.945 0.272 187 HA ALA 25 HA ALA 25 -19.248 4.365 -0.220 188 HB1 ALA 25 HB1 ALA 25 -18.477 1.557 -0.970 189 HB2 ALA 25 HB2 ALA 25 -18.485 2.944 -2.066 190 HB3 ALA 25 HB3 ALA 25 -19.993 2.363 -1.369 191 H TRP 26 H TRP 26 -17.646 2.962 2.303 192 HA TRP 26 HA TRP 26 -20.121 2.068 3.499 193 HB2 TRP 26 HB2 TRP 26 -17.577 0.412 3.437 194 HB3 TRP 26 HB3 TRP 26 -18.945 0.086 4.485 195 HD1 TRP 26 HD1 TRP 26 -17.678 -0.577 1.025 196 HE1 TRP 26 HE1 TRP 26 -19.444 -1.913 -0.307 197 HE3 TRP 26 HE3 TRP 26 -21.655 -0.070 4.196 198 HZ2 TRP 26 HZ2 TRP 26 -22.143 -2.625 -0.049 199 HZ3 TRP 26 HZ3 TRP 26 -23.790 -1.096 3.571 200 HH2 TRP 26 HH2 TRP 26 -24.028 -2.350 1.498 Start of MODEL 14 1 H1 LYS 1 HT1 LYS 1 19.188 7.921 -6.038 2 H2 LYS 1 HT2 LYS 1 20.611 7.129 -6.377 3 H3 LYS 1 HT3 LYS 1 20.298 7.700 -4.810 4 HA LYS 1 HA LYS 1 18.771 5.572 -6.165 5 HB2 LYS 1 HB2 LYS 1 20.601 5.424 -3.747 6 HB3 LYS 1 HB3 LYS 1 19.729 4.096 -4.489 7 HG2 LYS 1 HG2 LYS 1 21.845 5.672 -5.915 8 HG3 LYS 1 HG3 LYS 1 22.183 4.218 -4.978 9 HD2 LYS 1 HD2 LYS 1 20.816 2.903 -6.419 10 HD3 LYS 1 HD3 LYS 1 20.261 4.324 -7.304 11 HE2 LYS 1 HE2 LYS 1 22.031 3.080 -8.493 12 HE3 LYS 1 HE3 LYS 1 22.489 4.736 -8.120 13 HZ1 LYS 1 HZ1 LYS 1 23.307 2.338 -6.572 14 HZ2 LYS 1 HZ2 LYS 1 23.766 3.915 -6.227 15 HZ3 LYS 1 HZ3 LYS 1 24.286 3.186 -7.644 16 H LYS 2 H LYS 2 17.027 4.828 -4.895 17 HA LYS 2 HA LYS 2 16.127 6.751 -2.917 18 HB2 LYS 2 HB2 LYS 2 14.740 4.225 -3.831 19 HB3 LYS 2 HB3 LYS 2 14.040 5.474 -2.817 20 HG2 LYS 2 HG2 LYS 2 14.346 7.040 -4.795 21 HG3 LYS 2 HG3 LYS 2 14.725 5.598 -5.739 22 HD2 LYS 2 HD2 LYS 2 12.542 4.623 -4.998 23 HD3 LYS 2 HD3 LYS 2 12.180 6.156 -4.225 24 HE2 LYS 2 HE2 LYS 2 11.061 6.160 -6.329 25 HE3 LYS 2 HE3 LYS 2 12.428 7.259 -6.466 26 HZ1 LYS 2 HZ1 LYS 2 12.345 4.470 -7.431 27 HZ2 LYS 2 HZ2 LYS 2 13.632 5.542 -7.684 28 HZ3 LYS 2 HZ3 LYS 2 12.126 5.818 -8.384 29 H LYS 3 H LYS 3 16.560 3.426 -3.106 30 HA LYS 3 HA LYS 3 17.293 1.731 -1.746 31 HB2 LYS 3 HB2 LYS 3 19.301 3.050 -1.479 32 HB3 LYS 3 HB3 LYS 3 18.585 3.966 -0.165 33 HG2 LYS 3 HG2 LYS 3 18.406 1.817 1.121 34 HG3 LYS 3 HG3 LYS 3 19.329 1.048 -0.162 35 HD2 LYS 3 HD2 LYS 3 21.201 2.510 0.241 36 HD3 LYS 3 HD3 LYS 3 20.273 3.419 1.432 37 HE2 LYS 3 HE2 LYS 3 20.062 1.335 2.772 38 HE3 LYS 3 HE3 LYS 3 21.115 0.525 1.618 39 HZ1 LYS 3 HZ1 LYS 3 22.875 2.117 2.208 40 HZ2 LYS 3 HZ2 LYS 3 22.305 1.272 3.539 41 HZ3 LYS 3 HZ3 LYS 3 21.813 2.850 3.305 42 H LYS 4 H LYS 4 16.087 4.360 0.204 43 HA LYS 4 HA LYS 4 15.680 3.205 2.626 44 HB2 LYS 4 HB2 LYS 4 13.989 4.967 3.070 45 HB3 LYS 4 HB3 LYS 4 15.482 5.568 2.361 46 HG2 LYS 4 HG2 LYS 4 14.392 5.710 0.193 47 HG3 LYS 4 HG3 LYS 4 12.902 5.084 0.886 48 HD2 LYS 4 HD2 LYS 4 12.687 7.465 0.753 49 HD3 LYS 4 HD3 LYS 4 12.923 7.043 2.450 50 HE2 LYS 4 HE2 LYS 4 15.303 7.631 2.262 51 HE3 LYS 4 HE3 LYS 4 15.068 8.062 0.579 52 HZ1 LYS 4 HZ1 LYS 4 13.417 9.740 1.379 53 HZ2 LYS 4 HZ2 LYS 4 14.985 10.052 1.833 54 HZ3 LYS 4 HZ3 LYS 4 13.909 9.416 2.958 55 H GLN 5 H GLN 5 13.229 3.188 0.113 56 HA GLN 5 HA GLN 5 11.648 1.519 1.885 57 HB2 GLN 5 HB2 GLN 5 10.774 2.937 -0.626 58 HB3 GLN 5 HB3 GLN 5 9.766 1.855 0.315 59 HG2 GLN 5 HG2 GLN 5 9.999 3.317 2.268 60 HG3 GLN 5 HG3 GLN 5 10.963 4.434 1.309 61 HE21 GLN 5 HE21 GLN 5 8.212 2.718 0.011 62 HE22 GLN 5 HE22 GLN 5 7.184 4.079 -0.122 63 H SER 6 H SER 6 12.010 -0.420 1.770 64 HA SER 6 HA SER 6 12.960 -1.885 -0.457 65 HB2 SER 6 HB2 SER 6 13.305 -2.552 1.948 66 HB3 SER 6 HB3 SER 6 11.586 -2.878 2.061 67 HG SER 6 HG SER 6 13.569 -4.414 1.142 68 H TRP 7 H TRP 7 11.691 -3.847 -1.198 69 HA TRP 7 HA TRP 7 9.439 -3.126 -2.656 70 HB2 TRP 7 HB2 TRP 7 9.139 -5.575 -3.075 71 HB3 TRP 7 HB3 TRP 7 10.770 -4.982 -3.369 72 HD1 TRP 7 HD1 TRP 7 12.691 -5.815 -1.638 73 HE1 TRP 7 HE1 TRP 7 12.817 -7.862 -0.086 74 HE3 TRP 7 HE3 TRP 7 7.747 -7.140 -1.595 75 HZ2 TRP 7 HZ2 TRP 7 11.088 -9.789 0.989 76 HZ3 TRP 7 HZ3 TRP 7 7.074 -9.100 -0.279 77 HH2 TRP 7 HH2 TRP 7 8.711 -10.401 0.984 78 H TYR 8 H TYR 8 9.632 -4.680 0.465 79 HA TYR 8 HA TYR 8 6.795 -5.094 0.555 80 HB2 TYR 8 HB2 TYR 8 7.110 -5.928 2.854 81 HB3 TYR 8 HB3 TYR 8 8.171 -6.720 1.699 82 HD1 TYR 8 HD1 TYR 8 10.527 -6.645 1.995 83 HD2 TYR 8 HD2 TYR 8 8.014 -4.202 4.388 84 HE1 TYR 8 HE1 TYR 8 12.424 -6.110 3.434 85 HE2 TYR 8 HE2 TYR 8 9.908 -3.641 5.828 86 HH TYR 8 HH TYR 8 12.002 -4.574 6.438 87 H ALA 9 H ALA 9 8.825 -2.543 1.298 88 HA ALA 9 HA ALA 9 7.260 -1.327 3.366 89 HB1 ALA 9 HB1 ALA 9 9.245 -0.039 1.469 90 HB2 ALA 9 HB2 ALA 9 9.624 -0.710 3.058 91 HB3 ALA 9 HB3 ALA 9 8.584 0.701 2.923 92 H ALA 10 H ALA 10 7.439 -1.125 -0.127 93 HA ALA 10 HA ALA 10 5.380 0.826 -0.403 94 HB1 ALA 10 HB1 ALA 10 5.503 0.192 -2.763 95 HB2 ALA 10 HB2 ALA 10 6.559 -1.158 -2.343 96 HB3 ALA 10 HB3 ALA 10 7.115 0.500 -2.114 97 H ALA 11 H ALA 11 5.630 -2.677 -0.894 98 HA ALA 11 HA ALA 11 3.018 -3.176 -1.622 99 HB1 ALA 11 HB1 ALA 11 4.746 -5.027 0.004 100 HB2 ALA 11 HB2 ALA 11 4.865 -4.816 -1.745 101 HB3 ALA 11 HB3 ALA 11 3.397 -5.478 -1.036 102 H GLY 12 H GLY 12 4.297 -3.001 1.654 103 HA2 GLY 12 HA2 GLY 12 2.049 -3.904 3.014 104 HA3 GLY 12 HA3 GLY 12 3.267 -2.817 3.672 105 H ASP 13 H ASP 13 2.980 -0.670 2.048 106 HA ASP 13 HA ASP 13 0.586 0.548 3.131 107 HB2 ASP 13 HB2 ASP 13 2.774 1.781 2.863 108 HB3 ASP 13 HB3 ASP 13 2.540 1.640 1.137 109 H ALA 14 H ALA 14 1.833 -0.194 0.054 110 HA ALA 14 HA ALA 14 -0.080 0.880 -1.613 111 HB1 ALA 14 HB1 ALA 14 0.936 -0.409 -3.372 112 HB2 ALA 14 HB2 ALA 14 1.541 -1.574 -2.197 113 HB3 ALA 14 HB3 ALA 14 2.231 0.023 -2.230 114 H ILE 15 H ILE 15 0.050 -2.385 -0.251 115 HA ILE 15 HA ILE 15 -2.294 -3.209 -1.698 116 HB ILE 15 HB ILE 15 -0.891 -4.537 0.629 117 HG12 ILE 15 HG12 ILE 15 -0.868 -5.228 -2.304 118 HG13 ILE 15 HG13 ILE 15 0.400 -4.321 -1.479 119 HG21 ILE 15 HG21 ILE 15 -3.042 -5.656 -1.198 120 HG22 ILE 15 HG22 ILE 15 -3.254 -5.263 0.505 121 HG23 ILE 15 HG23 ILE 15 -2.173 -6.570 0.032 122 HD11 ILE 15 HD11 ILE 15 0.787 -6.201 -0.038 123 HD12 ILE 15 HD12 ILE 15 1.013 -6.628 -1.746 124 HD13 ILE 15 HD13 ILE 15 -0.462 -7.117 -0.883 125 H VAL 16 H VAL 16 -1.629 -2.129 1.490 126 HA VAL 16 HA VAL 16 -4.269 -2.474 2.456 127 HB VAL 16 HB VAL 16 -2.168 -0.516 3.451 128 HG11 VAL 16 HG11 VAL 16 -4.400 0.181 4.135 129 HG12 VAL 16 HG12 VAL 16 -3.486 -0.438 5.514 130 HG13 VAL 16 HG13 VAL 16 -4.723 -1.439 4.753 131 HG21 VAL 16 HG21 VAL 16 -1.865 -2.191 5.250 132 HG22 VAL 16 HG22 VAL 16 -1.411 -2.775 3.669 133 HG23 VAL 16 HG23 VAL 16 -2.952 -3.284 4.387 134 H SER 17 H SER 17 -2.701 0.175 0.913 135 HA SER 17 HA SER 17 -4.901 1.999 0.995 136 HB2 SER 17 HB2 SER 17 -2.506 2.706 0.650 137 HB3 SER 17 HB3 SER 17 -2.533 1.901 -0.908 138 HG SER 17 HG SER 17 -3.727 4.267 -0.092 139 H PHE 18 H PHE 18 -3.840 -0.506 -1.164 140 HA PHE 18 HA PHE 18 -5.557 -0.071 -3.357 141 HB2 PHE 18 HB2 PHE 18 -3.537 -1.698 -2.984 142 HB3 PHE 18 HB3 PHE 18 -4.744 -2.775 -2.332 143 HD1 PHE 18 HD1 PHE 18 -6.962 -2.743 -4.071 144 HD2 PHE 18 HD2 PHE 18 -2.857 -2.329 -5.007 145 HE1 PHE 18 HE1 PHE 18 -7.395 -3.634 -6.333 146 HE2 PHE 18 HE2 PHE 18 -3.274 -3.199 -7.276 147 HZ PHE 18 HZ PHE 18 -5.556 -3.846 -7.936 148 H GLY 19 H GLY 19 -5.794 -2.147 -0.508 149 HA2 GLY 19 HA2 GLY 19 -8.387 -3.130 -0.941 150 HA3 GLY 19 HA3 GLY 19 -7.554 -3.068 0.607 151 H GLU 20 H GLU 20 -7.239 -0.385 0.991 152 HA GLU 20 HA GLU 20 -9.844 0.343 1.833 153 HB2 GLU 20 HB2 GLU 20 -7.236 1.823 1.835 154 HB3 GLU 20 HB3 GLU 20 -8.689 2.530 2.515 155 HG2 GLU 20 HG2 GLU 20 -8.816 0.507 4.011 156 HG3 GLU 20 HG3 GLU 20 -7.240 0.052 3.387 157 H GLY 21 H GLY 21 -7.970 1.056 -0.897 158 HA2 GLY 21 HA2 GLY 21 -9.512 3.196 -1.944 159 HA3 GLY 21 HA3 GLY 21 -8.434 2.132 -2.858 160 H PHE 22 H PHE 22 -9.729 -0.249 -2.095 161 HA PHE 22 HA PHE 22 -11.928 -0.265 -3.934 162 HB2 PHE 22 HB2 PHE 22 -10.534 -2.206 -3.941 163 HB3 PHE 22 HB3 PHE 22 -10.677 -2.395 -2.199 164 HD1 PHE 22 HD1 PHE 22 -12.197 -3.884 -1.338 165 HD2 PHE 22 HD2 PHE 22 -12.751 -2.413 -5.285 166 HE1 PHE 22 HE1 PHE 22 -14.058 -5.434 -1.631 167 HE2 PHE 22 HE2 PHE 22 -14.633 -3.975 -5.600 168 HZ PHE 22 HZ PHE 22 -15.290 -5.494 -3.764 169 H LEU 23 H LEU 23 -11.517 -0.567 -0.477 170 HA LEU 23 HA LEU 23 -14.194 -1.110 0.232 171 HB2 LEU 23 HB2 LEU 23 -12.000 0.119 1.875 172 HB3 LEU 23 HB3 LEU 23 -13.519 -0.459 2.520 173 HG LEU 23 HG LEU 23 -11.362 -2.126 1.231 174 HD11 LEU 23 HD11 LEU 23 -10.782 -1.379 3.443 175 HD12 LEU 23 HD12 LEU 23 -11.149 -3.111 3.437 176 HD13 LEU 23 HD13 LEU 23 -12.329 -1.962 4.067 177 HD21 LEU 23 HD21 LEU 23 -13.540 -3.054 0.697 178 HD22 LEU 23 HD22 LEU 23 -14.014 -2.975 2.393 179 HD23 LEU 23 HD23 LEU 23 -12.714 -4.061 1.888 180 H ASN 24 H ASN 24 -12.966 1.632 -1.003 181 HA ASN 24 HA ASN 24 -14.150 3.772 0.409 182 HB2 ASN 24 HB2 ASN 24 -13.589 5.117 -1.416 183 HB3 ASN 24 HB3 ASN 24 -12.391 3.827 -1.399 184 HD21 ASN 24 HD21 ASN 24 -14.295 1.832 -2.718 185 HD22 ASN 24 HD22 ASN 24 -14.395 2.365 -4.343 186 H ALA 25 H ALA 25 -15.796 1.344 -1.045 187 HA ALA 25 HA ALA 25 -17.844 3.010 -2.267 188 HB1 ALA 25 HB1 ALA 25 -17.480 0.018 -2.358 189 HB2 ALA 25 HB2 ALA 25 -16.907 1.154 -3.570 190 HB3 ALA 25 HB3 ALA 25 -18.638 0.966 -3.293 191 H TRP 26 H TRP 26 -17.224 2.162 0.660 192 HA TRP 26 HA TRP 26 -19.665 0.945 1.471 193 HB2 TRP 26 HB2 TRP 26 -19.023 1.309 3.804 194 HB3 TRP 26 HB3 TRP 26 -17.665 0.695 2.882 195 HD1 TRP 26 HD1 TRP 26 -15.765 2.707 2.231 196 HE1 TRP 26 HE1 TRP 26 -14.915 4.590 3.734 197 HE3 TRP 26 HE3 TRP 26 -19.623 2.865 5.574 198 HZ2 TRP 26 HZ2 TRP 26 -15.766 5.984 6.028 199 HZ3 TRP 26 HZ3 TRP 26 -19.537 4.501 7.390 200 HH2 TRP 26 HH2 TRP 26 -17.641 6.036 7.624 Start of MODEL 15 1 H1 LYS 1 HT1 LYS 1 22.355 -3.085 -1.317 2 H2 LYS 1 HT2 LYS 1 21.129 -2.794 -0.184 3 H3 LYS 1 HT3 LYS 1 20.734 -3.028 -1.799 4 HA LYS 1 HA LYS 1 21.499 -5.277 -1.710 5 HB2 LYS 1 HB2 LYS 1 21.915 -4.612 1.189 6 HB3 LYS 1 HB3 LYS 1 22.006 -6.234 0.518 7 HG2 LYS 1 HG2 LYS 1 23.945 -5.606 -0.810 8 HG3 LYS 1 HG3 LYS 1 23.840 -3.943 -0.246 9 HD2 LYS 1 HD2 LYS 1 24.375 -6.376 1.466 10 HD3 LYS 1 HD3 LYS 1 25.567 -5.187 0.941 11 HE2 LYS 1 HE2 LYS 1 24.397 -3.451 2.201 12 HE3 LYS 1 HE3 LYS 1 23.174 -4.621 2.693 13 HZ1 LYS 1 HZ1 LYS 1 24.966 -5.888 3.765 14 HZ2 LYS 1 HZ2 LYS 1 24.719 -4.373 4.437 15 HZ3 LYS 1 HZ3 LYS 1 26.039 -4.646 3.444 16 H LYS 2 H LYS 2 19.701 -6.263 -2.017 17 HA LYS 2 HA LYS 2 17.663 -7.114 -1.965 18 HB2 LYS 2 HB2 LYS 2 16.740 -8.013 0.061 19 HB3 LYS 2 HB3 LYS 2 18.473 -8.241 0.069 20 HG2 LYS 2 HG2 LYS 2 18.691 -6.350 1.646 21 HG3 LYS 2 HG3 LYS 2 16.944 -6.159 1.638 22 HD2 LYS 2 HD2 LYS 2 18.452 -8.612 2.559 23 HD3 LYS 2 HD3 LYS 2 17.701 -7.412 3.609 24 HE2 LYS 2 HE2 LYS 2 15.502 -7.979 2.633 25 HE3 LYS 2 HE3 LYS 2 16.282 -9.211 1.639 26 HZ1 LYS 2 HZ1 LYS 2 16.989 -10.305 3.711 27 HZ2 LYS 2 HZ2 LYS 2 15.344 -10.248 3.549 28 HZ3 LYS 2 HZ3 LYS 2 16.116 -9.169 4.594 29 H LYS 3 H LYS 3 17.958 -4.101 -1.740 30 HA LYS 3 HA LYS 3 15.335 -3.413 -0.796 31 HB2 LYS 3 HB2 LYS 3 17.035 -1.809 -0.237 32 HB3 LYS 3 HB3 LYS 3 17.617 -1.738 -1.877 33 HG2 LYS 3 HG2 LYS 3 16.389 0.291 -1.188 34 HG3 LYS 3 HG3 LYS 3 15.677 -0.501 -2.585 35 HD2 LYS 3 HD2 LYS 3 13.976 0.299 -0.993 36 HD3 LYS 3 HD3 LYS 3 13.933 -1.443 -1.221 37 HE2 LYS 3 HE2 LYS 3 15.074 -1.788 0.883 38 HE3 LYS 3 HE3 LYS 3 15.258 -0.049 1.109 39 HZ1 LYS 3 HZ1 LYS 3 12.930 0.192 1.373 40 HZ2 LYS 3 HZ2 LYS 3 13.356 -1.129 2.344 41 HZ3 LYS 3 HZ3 LYS 3 12.626 -1.362 0.835 42 H LYS 4 H LYS 4 13.917 -4.267 -2.038 43 HA LYS 4 HA LYS 4 14.041 -3.816 -4.926 44 HB2 LYS 4 HB2 LYS 4 12.176 -5.469 -5.080 45 HB3 LYS 4 HB3 LYS 4 13.633 -6.133 -4.366 46 HG2 LYS 4 HG2 LYS 4 12.702 -6.050 -2.185 47 HG3 LYS 4 HG3 LYS 4 11.316 -5.118 -2.735 48 HD2 LYS 4 HD2 LYS 4 10.690 -7.418 -2.369 49 HD3 LYS 4 HD3 LYS 4 10.592 -7.044 -4.089 50 HE2 LYS 4 HE2 LYS 4 12.753 -8.143 -4.440 51 HE3 LYS 4 HE3 LYS 4 12.856 -8.469 -2.709 52 HZ1 LYS 4 HZ1 LYS 4 10.812 -9.565 -4.572 53 HZ2 LYS 4 HZ2 LYS 4 10.796 -9.755 -2.926 54 HZ3 LYS 4 HZ3 LYS 4 12.052 -10.430 -3.821 55 H GLN 5 H GLN 5 12.220 -2.977 -2.083 56 HA GLN 5 HA GLN 5 10.568 -1.161 -3.656 57 HB2 GLN 5 HB2 GLN 5 9.487 -3.085 -1.582 58 HB3 GLN 5 HB3 GLN 5 8.585 -1.800 -2.355 59 HG2 GLN 5 HG2 GLN 5 8.708 -2.850 -4.468 60 HG3 GLN 5 HG3 GLN 5 9.841 -4.060 -3.883 61 HE21 GLN 5 HE21 GLN 5 6.555 -3.046 -3.974 62 HE22 GLN 5 HE22 GLN 5 5.882 -4.507 -3.323 63 H SER 6 H SER 6 10.599 0.736 -2.763 64 HA SER 6 HA SER 6 11.658 1.064 -0.092 65 HB2 SER 6 HB2 SER 6 12.478 2.430 -2.041 66 HB3 SER 6 HB3 SER 6 10.886 3.174 -2.130 67 HG SER 6 HG SER 6 12.728 3.249 -0.008 68 H TRP 7 H TRP 7 10.471 3.154 0.930 69 HA TRP 7 HA TRP 7 8.024 2.231 1.902 70 HB2 TRP 7 HB2 TRP 7 7.786 4.484 2.963 71 HB3 TRP 7 HB3 TRP 7 9.327 3.718 3.285 72 HD1 TRP 7 HD1 TRP 7 11.496 4.840 2.224 73 HE1 TRP 7 HE1 TRP 7 11.953 7.194 1.303 74 HE3 TRP 7 HE3 TRP 7 6.682 6.458 1.705 75 HZ2 TRP 7 HZ2 TRP 7 10.475 9.440 0.487 76 HZ3 TRP 7 HZ3 TRP 7 6.290 8.730 0.853 77 HH2 TRP 7 HH2 TRP 7 8.155 10.190 0.256 78 H TYR 8 H TYR 8 8.740 4.513 -0.622 79 HA TYR 8 HA TYR 8 5.990 5.256 -0.931 80 HB2 TYR 8 HB2 TYR 8 6.741 6.510 -2.959 81 HB3 TYR 8 HB3 TYR 8 7.585 6.941 -1.478 82 HD1 TYR 8 HD1 TYR 8 7.905 5.218 -4.726 83 HD2 TYR 8 HD2 TYR 8 9.933 6.579 -1.252 84 HE1 TYR 8 HE1 TYR 8 10.038 4.852 -5.843 85 HE2 TYR 8 HE2 TYR 8 12.092 6.209 -2.362 86 HH TYR 8 HH TYR 8 12.341 5.637 -5.688 87 H ALA 9 H ALA 9 7.971 2.862 -2.164 88 HA ALA 9 HA ALA 9 6.483 2.222 -4.517 89 HB1 ALA 9 HB1 ALA 9 7.763 0.111 -4.477 90 HB2 ALA 9 HB2 ALA 9 8.335 0.499 -2.860 91 HB3 ALA 9 HB3 ALA 9 8.804 1.511 -4.227 92 H ALA 10 H ALA 10 6.646 0.956 -1.203 93 HA ALA 10 HA ALA 10 4.575 -0.905 -1.515 94 HB1 ALA 10 HB1 ALA 10 4.665 -1.035 0.918 95 HB2 ALA 10 HB2 ALA 10 5.695 0.395 0.977 96 HB3 ALA 10 HB3 ALA 10 6.292 -1.094 0.241 97 H ALA 11 H ALA 11 4.743 2.341 -0.077 98 HA ALA 11 HA ALA 11 2.057 2.524 0.697 99 HB1 ALA 11 HB1 ALA 11 2.350 4.921 0.768 100 HB2 ALA 11 HB2 ALA 11 3.815 4.796 -0.210 101 HB3 ALA 11 HB3 ALA 11 3.787 4.131 1.419 102 H GLY 12 H GLY 12 3.479 3.095 -2.457 103 HA2 GLY 12 HA2 GLY 12 1.255 4.301 -3.612 104 HA3 GLY 12 HA3 GLY 12 2.518 3.423 -4.474 105 H ASP 13 H ASP 13 2.355 0.944 -3.658 106 HA ASP 13 HA ASP 13 0.001 -0.007 -5.004 107 HB2 ASP 13 HB2 ASP 13 2.211 -1.207 -5.071 108 HB3 ASP 13 HB3 ASP 13 1.956 -1.612 -3.391 109 H ALA 14 H ALA 14 1.142 -0.109 -1.792 110 HA ALA 14 HA ALA 14 -0.704 -1.779 -0.593 111 HB1 ALA 14 HB1 ALA 14 1.428 -0.958 0.407 112 HB2 ALA 14 HB2 ALA 14 0.061 -0.897 1.528 113 HB3 ALA 14 HB3 ALA 14 0.641 0.570 0.732 114 H ILE 15 H ILE 15 -0.894 1.720 -0.990 115 HA ILE 15 HA ILE 15 -3.387 1.840 0.417 116 HB ILE 15 HB ILE 15 -1.964 3.902 -1.254 117 HG12 ILE 15 HG12 ILE 15 -2.277 3.687 1.732 118 HG13 ILE 15 HG13 ILE 15 -0.866 3.135 0.840 119 HG21 ILE 15 HG21 ILE 15 -4.392 4.251 0.511 120 HG22 ILE 15 HG22 ILE 15 -4.352 4.411 -1.247 121 HG23 ILE 15 HG23 ILE 15 -3.459 5.552 -0.232 122 HD11 ILE 15 HD11 ILE 15 -1.903 5.935 0.955 123 HD12 ILE 15 HD12 ILE 15 -0.507 5.355 0.032 124 HD13 ILE 15 HD13 ILE 15 -0.489 5.289 1.817 125 H VAL 16 H VAL 16 -2.452 1.833 -2.897 126 HA VAL 16 HA VAL 16 -5.050 2.170 -3.989 127 HB VAL 16 HB VAL 16 -2.734 0.608 -5.199 128 HG11 VAL 16 HG11 VAL 16 -3.872 0.892 -7.347 129 HG12 VAL 16 HG12 VAL 16 -5.225 1.673 -6.521 130 HG13 VAL 16 HG13 VAL 16 -4.854 -0.022 -6.199 131 HG21 VAL 16 HG21 VAL 16 -2.102 2.914 -4.840 132 HG22 VAL 16 HG22 VAL 16 -3.596 3.485 -5.581 133 HG23 VAL 16 HG23 VAL 16 -2.384 2.667 -6.560 134 H SER 17 H SER 17 -3.293 -0.650 -3.082 135 HA SER 17 HA SER 17 -5.307 -2.515 -3.779 136 HB2 SER 17 HB2 SER 17 -2.901 -2.735 -1.974 137 HB3 SER 17 HB3 SER 17 -3.895 -4.103 -2.500 138 HG SER 17 HG SER 17 -1.813 -3.132 -3.783 139 H PHE 18 H PHE 18 -4.563 -0.663 -0.945 140 HA PHE 18 HA PHE 18 -6.219 -1.939 0.938 141 HB2 PHE 18 HB2 PHE 18 -4.425 -0.025 1.132 142 HB3 PHE 18 HB3 PHE 18 -5.805 1.029 0.865 143 HD1 PHE 18 HD1 PHE 18 -3.823 -0.323 3.277 144 HD2 PHE 18 HD2 PHE 18 -7.913 0.336 2.412 145 HE1 PHE 18 HE1 PHE 18 -4.347 -0.481 5.686 146 HE2 PHE 18 HE2 PHE 18 -8.461 0.196 4.806 147 HZ PHE 18 HZ PHE 18 -6.683 -0.211 6.448 148 H GLY 19 H GLY 19 -6.689 0.750 -1.307 149 HA2 GLY 19 HA2 GLY 19 -9.374 1.331 -0.743 150 HA3 GLY 19 HA3 GLY 19 -8.549 1.687 -2.256 151 H GLU 20 H GLU 20 -7.962 -0.800 -3.188 152 HA GLU 20 HA GLU 20 -10.395 -1.720 -4.219 153 HB2 GLU 20 HB2 GLU 20 -7.674 -3.033 -4.121 154 HB3 GLU 20 HB3 GLU 20 -9.013 -3.694 -5.033 155 HG2 GLU 20 HG2 GLU 20 -7.789 -0.979 -5.467 156 HG3 GLU 20 HG3 GLU 20 -7.437 -2.421 -6.416 157 H GLY 21 H GLY 21 -8.479 -2.774 -1.589 158 HA2 GLY 21 HA2 GLY 21 -9.888 -5.147 -0.873 159 HA3 GLY 21 HA3 GLY 21 -8.848 -4.223 0.203 160 H PHE 22 H PHE 22 -10.475 -1.819 -0.322 161 HA PHE 22 HA PHE 22 -12.620 -2.270 1.514 162 HB2 PHE 22 HB2 PHE 22 -11.365 -0.214 1.616 163 HB3 PHE 22 HB3 PHE 22 -11.737 0.137 -0.066 164 HD1 PHE 22 HD1 PHE 22 -13.039 1.976 -0.175 165 HD2 PHE 22 HD2 PHE 22 -13.815 -0.921 2.794 166 HE1 PHE 22 HE1 PHE 22 -14.995 3.275 0.539 167 HE2 PHE 22 HE2 PHE 22 -15.781 0.374 3.558 168 HZ PHE 22 HZ PHE 22 -16.376 2.476 2.416 169 H LEU 23 H LEU 23 -12.326 -1.272 -1.865 170 HA LEU 23 HA LEU 23 -15.043 -0.916 -2.413 171 HB2 LEU 23 HB2 LEU 23 -12.836 -1.487 -4.378 172 HB3 LEU 23 HB3 LEU 23 -14.403 -0.820 -4.765 173 HG LEU 23 HG LEU 23 -12.189 0.487 -3.214 174 HD11 LEU 23 HD11 LEU 23 -11.890 0.527 -5.605 175 HD12 LEU 23 HD12 LEU 23 -12.286 2.137 -4.999 176 HD13 LEU 23 HD13 LEU 23 -13.517 1.176 -5.815 177 HD21 LEU 23 HD21 LEU 23 -14.984 1.486 -3.706 178 HD22 LEU 23 HD22 LEU 23 -13.638 2.421 -3.025 179 HD23 LEU 23 HD23 LEU 23 -14.269 1.017 -2.157 180 H ASN 24 H ASN 24 -13.226 -3.794 -2.422 181 HA ASN 24 HA ASN 24 -14.900 -5.306 -4.148 182 HB2 ASN 24 HB2 ASN 24 -13.821 -7.276 -3.335 183 HB3 ASN 24 HB3 ASN 24 -12.609 -6.008 -3.427 184 HD21 ASN 24 HD21 ASN 24 -13.588 -4.760 -0.742 185 HD22 ASN 24 HD22 ASN 24 -12.968 -5.875 0.380 186 H ALA 25 H ALA 25 -15.498 -4.117 -1.027 187 HA ALA 25 HA ALA 25 -17.645 -6.089 -0.618 188 HB1 ALA 25 HB1 ALA 25 -15.800 -6.419 0.961 189 HB2 ALA 25 HB2 ALA 25 -17.281 -5.907 1.764 190 HB3 ALA 25 HB3 ALA 25 -15.979 -4.750 1.503 191 H TRP 26 H TRP 26 -16.763 -2.782 -0.929 192 HA TRP 26 HA TRP 26 -19.436 -2.012 -0.155 193 HB2 TRP 26 HB2 TRP 26 -16.893 -0.545 0.640 194 HB3 TRP 26 HB3 TRP 26 -18.539 0.004 0.932 195 HD1 TRP 26 HD1 TRP 26 -15.878 -2.322 2.281 196 HE1 TRP 26 HE1 TRP 26 -16.639 -3.244 4.571 197 HE3 TRP 26 HE3 TRP 26 -20.703 -0.654 2.257 198 HZ2 TRP 26 HZ2 TRP 26 -18.984 -3.276 6.130 199 HZ3 TRP 26 HZ3 TRP 26 -22.135 -1.178 4.176 200 HH2 TRP 26 HH2 TRP 26 -21.300 -2.449 6.068 Start of MODEL 16 1 H1 LYS 1 HT1 LYS 1 -12.043 -10.904 2.117 2 H2 LYS 1 HT2 LYS 1 -13.254 -10.016 2.884 3 H3 LYS 1 HT3 LYS 1 -12.321 -9.319 1.685 4 HA LYS 1 HA LYS 1 -13.143 -10.677 0.014 5 HB2 LYS 1 HB2 LYS 1 -13.508 -12.746 1.261 6 HB3 LYS 1 HB3 LYS 1 -14.804 -12.001 2.183 7 HG2 LYS 1 HG2 LYS 1 -15.680 -13.474 0.461 8 HG3 LYS 1 HG3 LYS 1 -16.143 -11.798 0.157 9 HD2 LYS 1 HD2 LYS 1 -14.233 -11.634 -1.453 10 HD3 LYS 1 HD3 LYS 1 -13.947 -13.359 -1.219 11 HE2 LYS 1 HE2 LYS 1 -16.191 -13.838 -2.059 12 HE3 LYS 1 HE3 LYS 1 -16.487 -12.116 -2.247 13 HZ1 LYS 1 HZ1 LYS 1 -15.865 -13.112 -4.335 14 HZ2 LYS 1 HZ2 LYS 1 -14.443 -13.699 -3.694 15 HZ3 LYS 1 HZ3 LYS 1 -14.656 -12.045 -3.880 16 H LYS 2 H LYS 2 -15.342 -9.665 2.663 17 HA LYS 2 HA LYS 2 -16.988 -8.373 0.723 18 HB2 LYS 2 HB2 LYS 2 -17.889 -9.468 2.814 19 HB3 LYS 2 HB3 LYS 2 -17.106 -8.206 3.740 20 HG2 LYS 2 HG2 LYS 2 -19.470 -7.741 3.462 21 HG3 LYS 2 HG3 LYS 2 -18.472 -6.525 2.654 22 HD2 LYS 2 HD2 LYS 2 -18.910 -7.458 0.510 23 HD3 LYS 2 HD3 LYS 2 -19.671 -8.886 1.214 24 HE2 LYS 2 HE2 LYS 2 -20.715 -6.059 1.403 25 HE3 LYS 2 HE3 LYS 2 -21.300 -7.296 0.293 26 HZ1 LYS 2 HZ1 LYS 2 -21.478 -7.357 3.263 27 HZ2 LYS 2 HZ2 LYS 2 -21.899 -8.644 2.282 28 HZ3 LYS 2 HZ3 LYS 2 -22.747 -7.201 2.179 29 H LYS 3 H LYS 3 -15.708 -6.981 -0.191 30 HA LYS 3 HA LYS 3 -14.717 -5.008 -0.692 31 HB2 LYS 3 HB2 LYS 3 -15.575 -4.114 2.084 32 HB3 LYS 3 HB3 LYS 3 -14.954 -3.058 0.827 33 HG2 LYS 3 HG2 LYS 3 -16.882 -3.583 -0.565 34 HG3 LYS 3 HG3 LYS 3 -17.519 -4.647 0.686 35 HD2 LYS 3 HD2 LYS 3 -17.629 -2.715 2.210 36 HD3 LYS 3 HD3 LYS 3 -17.060 -1.675 0.904 37 HE2 LYS 3 HE2 LYS 3 -19.591 -3.311 0.879 38 HE3 LYS 3 HE3 LYS 3 -19.497 -1.569 1.155 39 HZ1 LYS 3 HZ1 LYS 3 -20.104 -2.037 -1.097 40 HZ2 LYS 3 HZ2 LYS 3 -18.805 -3.033 -1.344 41 HZ3 LYS 3 HZ3 LYS 3 -18.567 -1.370 -1.117 42 H LYS 4 H LYS 4 -12.953 -3.426 0.355 43 HA LYS 4 HA LYS 4 -11.173 -5.139 1.879 44 HB2 LYS 4 HB2 LYS 4 -9.213 -4.315 0.594 45 HB3 LYS 4 HB3 LYS 4 -10.343 -5.197 -0.411 46 HG2 LYS 4 HG2 LYS 4 -11.223 -2.983 -1.212 47 HG3 LYS 4 HG3 LYS 4 -9.918 -2.219 -0.313 48 HD2 LYS 4 HD2 LYS 4 -9.207 -2.382 -2.564 49 HD3 LYS 4 HD3 LYS 4 -8.309 -3.594 -1.659 50 HE2 LYS 4 HE2 LYS 4 -9.124 -4.438 -3.813 51 HE3 LYS 4 HE3 LYS 4 -9.789 -5.341 -2.455 52 HZ1 LYS 4 HZ1 LYS 4 -11.247 -3.154 -3.889 53 HZ2 LYS 4 HZ2 LYS 4 -11.872 -4.180 -2.699 54 HZ3 LYS 4 HZ3 LYS 4 -11.447 -4.791 -4.175 55 H GLN 5 H GLN 5 -11.080 -1.790 0.819 56 HA GLN 5 HA GLN 5 -11.566 -0.694 3.286 57 HB2 GLN 5 HB2 GLN 5 -9.285 0.235 3.721 58 HB3 GLN 5 HB3 GLN 5 -9.365 -1.501 3.923 59 HG2 GLN 5 HG2 GLN 5 -8.345 -1.752 1.672 60 HG3 GLN 5 HG3 GLN 5 -8.184 0.010 1.608 61 HE21 GLN 5 HE21 GLN 5 -6.141 -2.042 1.562 62 HE22 GLN 5 HE22 GLN 5 -5.081 -1.680 2.885 63 H SER 6 H SER 6 -11.034 1.682 3.088 64 HA SER 6 HA SER 6 -12.109 2.675 0.684 65 HB2 SER 6 HB2 SER 6 -10.649 4.198 2.853 66 HB3 SER 6 HB3 SER 6 -11.828 4.847 1.708 67 HG SER 6 HG SER 6 -12.926 2.771 2.908 68 H TRP 7 H TRP 7 -11.044 4.220 -0.803 69 HA TRP 7 HA TRP 7 -8.750 3.219 -1.965 70 HB2 TRP 7 HB2 TRP 7 -8.716 5.270 -3.371 71 HB3 TRP 7 HB3 TRP 7 -10.328 4.599 -3.227 72 HD1 TRP 7 HD1 TRP 7 -12.131 6.044 -1.842 73 HE1 TRP 7 HE1 TRP 7 -12.183 8.501 -1.147 74 HE3 TRP 7 HE3 TRP 7 -7.252 7.225 -2.694 75 HZ2 TRP 7 HZ2 TRP 7 -10.399 10.687 -0.991 76 HZ3 TRP 7 HZ3 TRP 7 -6.497 9.522 -2.245 77 HH2 TRP 7 HH2 TRP 7 -8.039 11.214 -1.412 78 H TYR 8 H TYR 8 -8.980 5.886 0.284 79 HA TYR 8 HA TYR 8 -6.201 6.517 0.101 80 HB2 TYR 8 HB2 TYR 8 -6.622 8.002 2.103 81 HB3 TYR 8 HB3 TYR 8 -7.611 8.340 0.688 82 HD1 TYR 8 HD1 TYR 8 -9.958 8.235 0.824 83 HD2 TYR 8 HD2 TYR 8 -7.626 6.798 4.059 84 HE1 TYR 8 HE1 TYR 8 -11.980 8.095 2.202 85 HE2 TYR 8 HE2 TYR 8 -9.640 6.633 5.453 86 HH TYR 8 HH TYR 8 -11.844 7.555 5.577 87 H ALA 9 H ALA 9 -8.032 4.418 1.964 88 HA ALA 9 HA ALA 9 -6.098 4.029 4.040 89 HB1 ALA 9 HB1 ALA 9 -8.457 3.537 4.437 90 HB2 ALA 9 HB2 ALA 9 -7.476 2.087 4.672 91 HB3 ALA 9 HB3 ALA 9 -8.417 2.286 3.192 92 H ALA 10 H ALA 10 -7.049 2.422 1.023 93 HA ALA 10 HA ALA 10 -5.177 0.353 1.060 94 HB1 ALA 10 HB1 ALA 10 -7.151 0.356 -0.407 95 HB2 ALA 10 HB2 ALA 10 -5.655 0.233 -1.336 96 HB3 ALA 10 HB3 ALA 10 -6.519 1.769 -1.256 97 H ALA 11 H ALA 11 -5.209 3.555 -0.439 98 HA ALA 11 HA ALA 11 -2.701 3.469 -1.610 99 HB1 ALA 11 HB1 ALA 11 -2.733 5.895 -1.606 100 HB2 ALA 11 HB2 ALA 11 -4.019 5.891 -0.394 101 HB3 ALA 11 HB3 ALA 11 -4.332 5.267 -2.009 102 H GLY 12 H GLY 12 -3.500 4.447 1.677 103 HA2 GLY 12 HA2 GLY 12 -0.941 5.224 2.490 104 HA3 GLY 12 HA3 GLY 12 -2.216 4.631 3.551 105 H ASP 13 H ASP 13 -2.501 2.072 2.588 106 HA ASP 13 HA ASP 13 -0.194 0.786 3.751 107 HB2 ASP 13 HB2 ASP 13 -2.380 -0.160 4.206 108 HB3 ASP 13 HB3 ASP 13 -2.712 -0.303 2.488 109 H ALA 14 H ALA 14 -1.651 0.868 0.682 110 HA ALA 14 HA ALA 14 -0.085 -0.928 -0.753 111 HB1 ALA 14 HB1 ALA 14 -1.479 1.467 -1.917 112 HB2 ALA 14 HB2 ALA 14 -2.337 0.092 -1.334 113 HB3 ALA 14 HB3 ALA 14 -1.199 -0.101 -2.698 114 H ILE 15 H ILE 15 0.315 2.568 -0.360 115 HA ILE 15 HA ILE 15 2.525 2.678 -2.201 116 HB ILE 15 HB ILE 15 1.572 4.717 -0.178 117 HG12 ILE 15 HG12 ILE 15 1.273 4.629 -3.180 118 HG13 ILE 15 HG13 ILE 15 0.017 4.192 -2.035 119 HG21 ILE 15 HG21 ILE 15 2.996 6.344 -1.346 120 HG22 ILE 15 HG22 ILE 15 3.609 5.056 -2.386 121 HG23 ILE 15 HG23 ILE 15 3.957 5.032 -0.657 122 HD11 ILE 15 HD11 ILE 15 1.298 6.859 -2.349 123 HD12 ILE 15 HD12 ILE 15 0.105 6.413 -1.116 124 HD13 ILE 15 HD13 ILE 15 -0.353 6.409 -2.832 125 H VAL 16 H VAL 16 2.184 2.547 1.214 126 HA VAL 16 HA VAL 16 4.954 2.731 1.770 127 HB VAL 16 HB VAL 16 2.810 1.394 3.464 128 HG11 VAL 16 HG11 VAL 16 5.057 0.599 4.082 129 HG12 VAL 16 HG12 VAL 16 4.371 1.623 5.342 130 HG13 VAL 16 HG13 VAL 16 5.594 2.274 4.244 131 HG21 VAL 16 HG21 VAL 16 3.999 4.170 3.547 132 HG22 VAL 16 HG22 VAL 16 2.926 3.495 4.770 133 HG23 VAL 16 HG23 VAL 16 2.339 3.728 3.133 134 H SER 17 H SER 17 2.898 0.038 1.120 135 HA SER 17 HA SER 17 4.909 -1.976 1.404 136 HB2 SER 17 HB2 SER 17 2.465 -2.484 1.533 137 HB3 SER 17 HB3 SER 17 2.313 -2.054 -0.168 138 HG SER 17 HG SER 17 3.668 -4.248 0.996 139 H PHE 18 H PHE 18 3.784 0.013 -1.207 140 HA PHE 18 HA PHE 18 5.125 -1.146 -3.390 141 HB2 PHE 18 HB2 PHE 18 3.319 0.731 -3.215 142 HB3 PHE 18 HB3 PHE 18 4.682 1.802 -2.995 143 HD1 PHE 18 HD1 PHE 18 6.614 1.272 -4.899 144 HD2 PHE 18 HD2 PHE 18 2.423 0.785 -5.268 145 HE1 PHE 18 HE1 PHE 18 6.816 1.544 -7.337 146 HE2 PHE 18 HE2 PHE 18 2.597 1.030 -7.720 147 HZ PHE 18 HZ PHE 18 4.800 1.412 -8.756 148 H GLY 19 H GLY 19 5.983 1.484 -1.190 149 HA2 GLY 19 HA2 GLY 19 8.551 2.004 -2.183 150 HA3 GLY 19 HA3 GLY 19 7.971 2.384 -0.561 151 H GLU 20 H GLU 20 7.499 -0.079 0.487 152 HA GLU 20 HA GLU 20 10.099 -0.950 1.141 153 HB2 GLU 20 HB2 GLU 20 7.394 -2.141 1.638 154 HB3 GLU 20 HB3 GLU 20 8.838 -2.875 2.285 155 HG2 GLU 20 HG2 GLU 20 7.731 -0.140 2.914 156 HG3 GLU 20 HG3 GLU 20 7.766 -1.545 3.975 157 H GLY 21 H GLY 21 7.806 -1.972 -1.148 158 HA2 GLY 21 HA2 GLY 21 8.879 -4.450 -1.934 159 HA3 GLY 21 HA3 GLY 21 7.920 -3.380 -2.964 160 H PHE 22 H PHE 22 9.673 -1.209 -2.812 161 HA PHE 22 HA PHE 22 11.797 -2.044 -4.567 162 HB2 PHE 22 HB2 PHE 22 10.827 0.065 -5.102 163 HB3 PHE 22 HB3 PHE 22 11.032 0.669 -3.465 164 HD1 PHE 22 HD1 PHE 22 12.687 2.233 -3.213 165 HD2 PHE 22 HD2 PHE 22 13.228 -0.819 -6.120 166 HE1 PHE 22 HE1 PHE 22 14.872 3.185 -3.805 167 HE2 PHE 22 HE2 PHE 22 15.414 0.138 -6.722 168 HZ PHE 22 HZ PHE 22 16.243 2.139 -5.554 169 H LEU 23 H LEU 23 11.564 -0.688 -1.317 170 HA LEU 23 HA LEU 23 14.319 -0.389 -0.860 171 HB2 LEU 23 HB2 LEU 23 12.127 -0.642 1.178 172 HB3 LEU 23 HB3 LEU 23 13.746 -0.069 1.481 173 HG LEU 23 HG LEU 23 11.696 1.279 -0.265 174 HD11 LEU 23 HD11 LEU 23 12.862 2.087 2.382 175 HD12 LEU 23 HD12 LEU 23 11.227 1.495 2.089 176 HD13 LEU 23 HD13 LEU 23 11.742 3.038 1.405 177 HD21 LEU 23 HD21 LEU 23 13.333 3.100 -0.454 178 HD22 LEU 23 HD22 LEU 23 13.888 1.593 -1.189 179 HD23 LEU 23 HD23 LEU 23 14.529 2.092 0.376 180 H ASN 24 H ASN 24 12.497 -3.220 -0.708 181 HA ASN 24 HA ASN 24 14.081 -4.745 1.096 182 HB2 ASN 24 HB2 ASN 24 12.997 -6.667 0.232 183 HB3 ASN 24 HB3 ASN 24 11.813 -5.366 0.224 184 HD21 ASN 24 HD21 ASN 24 13.213 -4.262 -2.334 185 HD22 ASN 24 HD22 ASN 24 12.537 -5.280 -3.541 186 H ALA 25 H ALA 25 15.061 -3.372 -1.660 187 HA ALA 25 HA ALA 25 16.859 -5.515 -2.525 188 HB1 ALA 25 HB1 ALA 25 15.520 -4.432 -4.260 189 HB2 ALA 25 HB2 ALA 25 17.240 -4.106 -4.492 190 HB3 ALA 25 HB3 ALA 25 16.192 -2.865 -3.804 191 H TRP 26 H TRP 26 17.057 -3.843 -0.121 192 HA TRP 26 HA TRP 26 19.091 -1.950 -0.249 193 HB2 TRP 26 HB2 TRP 26 19.427 -2.461 2.241 194 HB3 TRP 26 HB3 TRP 26 17.849 -1.892 1.746 195 HD1 TRP 26 HD1 TRP 26 15.842 -3.688 1.842 196 HE1 TRP 26 HE1 TRP 26 15.505 -5.785 3.250 197 HE3 TRP 26 HE3 TRP 26 20.681 -4.460 3.259 198 HZ2 TRP 26 HZ2 TRP 26 17.095 -7.564 4.782 199 HZ3 TRP 26 HZ3 TRP 26 21.189 -6.381 4.695 200 HH2 TRP 26 HH2 TRP 26 19.436 -7.898 5.448 Start of MODEL 17 1 H1 LYS 1 HT1 LYS 1 21.784 -0.436 1.726 2 H2 LYS 1 HT2 LYS 1 22.675 0.924 2.194 3 H3 LYS 1 HT3 LYS 1 22.337 0.625 0.571 4 HA LYS 1 HA LYS 1 20.268 1.238 2.563 5 HB2 LYS 1 HB2 LYS 1 21.369 2.885 0.270 6 HB3 LYS 1 HB3 LYS 1 20.099 3.376 1.364 7 HG2 LYS 1 HG2 LYS 1 21.629 3.497 3.204 8 HG3 LYS 1 HG3 LYS 1 22.931 2.826 2.222 9 HD2 LYS 1 HD2 LYS 1 21.538 5.455 1.700 10 HD3 LYS 1 HD3 LYS 1 23.101 5.264 2.502 11 HE2 LYS 1 HE2 LYS 1 23.990 4.208 0.453 12 HE3 LYS 1 HE3 LYS 1 22.439 4.471 -0.339 13 HZ1 LYS 1 HZ1 LYS 1 22.739 6.846 -0.007 14 HZ2 LYS 1 HZ2 LYS 1 23.995 6.184 -0.918 15 HZ3 LYS 1 HZ3 LYS 1 24.236 6.565 0.709 16 H LYS 2 H LYS 2 18.182 1.345 1.548 17 HA LYS 2 HA LYS 2 18.070 -0.233 -0.889 18 HB2 LYS 2 HB2 LYS 2 15.628 -0.344 -0.512 19 HB3 LYS 2 HB3 LYS 2 16.546 -0.935 0.866 20 HG2 LYS 2 HG2 LYS 2 16.107 1.104 2.085 21 HG3 LYS 2 HG3 LYS 2 15.330 1.814 0.668 22 HD2 LYS 2 HD2 LYS 2 13.678 1.002 2.290 23 HD3 LYS 2 HD3 LYS 2 13.583 0.121 0.770 24 HE2 LYS 2 HE2 LYS 2 13.385 -1.389 2.674 25 HE3 LYS 2 HE3 LYS 2 14.837 -1.733 1.749 26 HZ1 LYS 2 HZ1 LYS 2 14.732 -0.183 4.276 27 HZ2 LYS 2 HZ2 LYS 2 16.129 -0.532 3.394 28 HZ3 LYS 2 HZ3 LYS 2 15.258 -1.763 4.112 29 H LYS 3 H LYS 3 17.958 2.850 0.150 30 HA LYS 3 HA LYS 3 17.924 4.877 -0.788 31 HB2 LYS 3 HB2 LYS 3 17.903 3.405 -3.412 32 HB3 LYS 3 HB3 LYS 3 17.966 5.156 -3.263 33 HG2 LYS 3 HG2 LYS 3 20.080 4.881 -1.938 34 HG3 LYS 3 HG3 LYS 3 20.029 3.162 -2.316 35 HD2 LYS 3 HD2 LYS 3 21.499 4.304 -3.887 36 HD3 LYS 3 HD3 LYS 3 20.065 3.712 -4.729 37 HE2 LYS 3 HE2 LYS 3 19.060 5.949 -4.582 38 HE3 LYS 3 HE3 LYS 3 20.499 6.554 -3.764 39 HZ1 LYS 3 HZ1 LYS 3 20.432 7.105 -6.080 40 HZ2 LYS 3 HZ2 LYS 3 20.365 5.500 -6.535 41 HZ3 LYS 3 HZ3 LYS 3 21.748 6.125 -5.765 42 H LYS 4 H LYS 4 15.363 2.823 -1.957 43 HA LYS 4 HA LYS 4 13.589 5.146 -1.750 44 HB2 LYS 4 HB2 LYS 4 12.621 4.867 -3.866 45 HB3 LYS 4 HB3 LYS 4 14.302 4.541 -4.215 46 HG2 LYS 4 HG2 LYS 4 12.206 2.466 -3.703 47 HG3 LYS 4 HG3 LYS 4 12.680 2.979 -5.325 48 HD2 LYS 4 HD2 LYS 4 14.471 1.627 -3.273 49 HD3 LYS 4 HD3 LYS 4 13.729 0.814 -4.648 50 HE2 LYS 4 HE2 LYS 4 15.023 2.225 -6.180 51 HE3 LYS 4 HE3 LYS 4 15.748 3.058 -4.801 52 HZ1 LYS 4 HZ1 LYS 4 17.240 1.347 -5.643 53 HZ2 LYS 4 HZ2 LYS 4 16.068 0.164 -5.441 54 HZ3 LYS 4 HZ3 LYS 4 16.706 0.941 -4.104 55 H GLN 5 H GLN 5 11.222 4.124 -2.048 56 HA GLN 5 HA GLN 5 10.997 2.134 -0.072 57 HB2 GLN 5 HB2 GLN 5 8.633 2.413 -0.331 58 HB3 GLN 5 HB3 GLN 5 9.416 3.988 -0.487 59 HG2 GLN 5 HG2 GLN 5 9.190 3.841 -2.922 60 HG3 GLN 5 HG3 GLN 5 8.393 2.278 -2.682 61 HE21 GLN 5 HE21 GLN 5 6.283 2.213 -2.053 62 HE22 GLN 5 HE22 GLN 5 5.302 3.642 -1.958 63 H SER 6 H SER 6 11.341 0.207 -0.435 64 HA SER 6 HA SER 6 11.773 -0.992 -2.924 65 HB2 SER 6 HB2 SER 6 11.297 -2.301 -0.257 66 HB3 SER 6 HB3 SER 6 12.052 -3.066 -1.656 67 HG SER 6 HG SER 6 13.461 -1.064 -1.495 68 H TRP 7 H TRP 7 10.674 -3.112 -3.527 69 HA TRP 7 HA TRP 7 8.101 -2.764 -4.406 70 HB2 TRP 7 HB2 TRP 7 8.049 -5.264 -4.749 71 HB3 TRP 7 HB3 TRP 7 9.483 -4.463 -5.388 72 HD1 TRP 7 HD1 TRP 7 11.812 -4.896 -4.069 73 HE1 TRP 7 HE1 TRP 7 12.573 -6.781 -2.525 74 HE3 TRP 7 HE3 TRP 7 7.257 -6.987 -3.065 75 HZ2 TRP 7 HZ2 TRP 7 11.404 -8.915 -1.085 76 HZ3 TRP 7 HZ3 TRP 7 7.167 -8.957 -1.602 77 HH2 TRP 7 HH2 TRP 7 9.205 -9.909 -0.635 78 H TYR 8 H TYR 8 9.068 -4.314 -1.425 79 HA TYR 8 HA TYR 8 6.393 -5.040 -0.734 80 HB2 TYR 8 HB2 TYR 8 7.297 -5.784 1.438 81 HB3 TYR 8 HB3 TYR 8 8.237 -6.415 0.104 82 HD1 TYR 8 HD1 TYR 8 8.191 -4.054 2.902 83 HD2 TYR 8 HD2 TYR 8 10.559 -5.789 -0.173 84 HE1 TYR 8 HE1 TYR 8 10.211 -3.174 3.979 85 HE2 TYR 8 HE2 TYR 8 12.599 -4.904 0.912 86 HH TYR 8 HH TYR 8 12.530 -3.714 4.057 87 H ALA 9 H ALA 9 8.225 -2.271 -0.421 88 HA ALA 9 HA ALA 9 6.887 -1.133 1.856 89 HB1 ALA 9 HB1 ALA 9 9.142 -0.381 1.182 90 HB2 ALA 9 HB2 ALA 9 7.990 0.958 1.214 91 HB3 ALA 9 HB3 ALA 9 8.464 0.249 -0.324 92 H ALA 10 H ALA 10 6.565 -1.091 -1.628 93 HA ALA 10 HA ALA 10 4.351 0.714 -1.690 94 HB1 ALA 10 HB1 ALA 10 4.150 -0.050 -4.009 95 HB2 ALA 10 HB2 ALA 10 5.324 -1.331 -3.691 96 HB3 ALA 10 HB3 ALA 10 5.827 0.356 -3.641 97 H ALA 11 H ALA 11 4.751 -2.798 -1.981 98 HA ALA 11 HA ALA 11 2.097 -3.466 -2.202 99 HB1 ALA 11 HB1 ALA 11 3.956 -5.051 -2.509 100 HB2 ALA 11 HB2 ALA 11 2.693 -5.693 -1.458 101 HB3 ALA 11 HB3 ALA 11 4.191 -5.086 -0.763 102 H GLY 12 H GLY 12 3.940 -2.994 0.759 103 HA2 GLY 12 HA2 GLY 12 2.088 -3.781 2.630 104 HA3 GLY 12 HA3 GLY 12 3.308 -2.542 2.894 105 H ASP 13 H ASP 13 2.524 -0.577 1.215 106 HA ASP 13 HA ASP 13 0.205 0.454 2.594 107 HB2 ASP 13 HB2 ASP 13 2.154 1.884 1.796 108 HB3 ASP 13 HB3 ASP 13 1.549 1.618 0.182 109 H ALA 14 H ALA 14 1.013 -0.456 -0.588 110 HA ALA 14 HA ALA 14 -1.198 0.337 -2.006 111 HB1 ALA 14 HB1 ALA 14 0.999 -0.404 -2.915 112 HB2 ALA 14 HB2 ALA 14 -0.391 -1.068 -3.785 113 HB3 ALA 14 HB3 ALA 14 0.504 -2.058 -2.633 114 H ILE 15 H ILE 15 -0.666 -2.761 -0.406 115 HA ILE 15 HA ILE 15 -3.131 -3.826 -1.395 116 HB ILE 15 HB ILE 15 -1.323 -4.876 0.798 117 HG12 ILE 15 HG12 ILE 15 -1.634 -5.789 -2.059 118 HG13 ILE 15 HG13 ILE 15 -0.358 -4.716 -1.512 119 HG21 ILE 15 HG21 ILE 15 -3.618 -5.758 1.036 120 HG22 ILE 15 HG22 ILE 15 -2.510 -7.017 0.507 121 HG23 ILE 15 HG23 ILE 15 -3.597 -6.255 -0.659 122 HD11 ILE 15 HD11 ILE 15 -0.842 -7.519 -0.599 123 HD12 ILE 15 HD12 ILE 15 0.412 -6.423 0.002 124 HD13 ILE 15 HD13 ILE 15 0.449 -6.968 -1.686 125 H VAL 16 H VAL 16 -2.081 -2.430 1.568 126 HA VAL 16 HA VAL 16 -4.519 -2.772 2.984 127 HB VAL 16 HB VAL 16 -2.455 -0.578 3.328 128 HG11 VAL 16 HG11 VAL 16 -4.625 -1.502 5.217 129 HG12 VAL 16 HG12 VAL 16 -4.607 0.008 4.311 130 HG13 VAL 16 HG13 VAL 16 -3.398 -0.277 5.570 131 HG21 VAL 16 HG21 VAL 16 -1.648 -1.975 5.219 132 HG22 VAL 16 HG22 VAL 16 -1.430 -2.725 3.651 133 HG23 VAL 16 HG23 VAL 16 -2.752 -3.257 4.704 134 H SER 17 H SER 17 -3.320 -0.230 0.986 135 HA SER 17 HA SER 17 -5.603 1.424 1.217 136 HB2 SER 17 HB2 SER 17 -3.322 1.414 -0.755 137 HB3 SER 17 HB3 SER 17 -4.556 2.682 -0.649 138 HG SER 17 HG SER 17 -2.321 2.585 0.715 139 H PHE 18 H PHE 18 -4.747 -1.244 -0.784 140 HA PHE 18 HA PHE 18 -6.662 -0.969 -2.845 141 HB2 PHE 18 HB2 PHE 18 -4.621 -2.566 -2.536 142 HB3 PHE 18 HB3 PHE 18 -5.736 -3.562 -1.631 143 HD1 PHE 18 HD1 PHE 18 -8.093 -3.867 -3.040 144 HD2 PHE 18 HD2 PHE 18 -4.208 -3.254 -4.624 145 HE1 PHE 18 HE1 PHE 18 -8.787 -4.970 -5.137 146 HE2 PHE 18 HE2 PHE 18 -4.888 -4.345 -6.732 147 HZ PHE 18 HZ PHE 18 -7.169 -5.201 -6.988 148 H GLY 19 H GLY 19 -6.588 -2.520 0.319 149 HA2 GLY 19 HA2 GLY 19 -9.182 -3.602 0.354 150 HA3 GLY 19 HA3 GLY 19 -8.231 -3.185 1.777 151 H GLU 20 H GLU 20 -7.948 -0.520 1.600 152 HA GLU 20 HA GLU 20 -10.419 0.451 2.483 153 HB2 GLU 20 HB2 GLU 20 -7.939 1.929 1.605 154 HB3 GLU 20 HB3 GLU 20 -9.308 2.714 2.366 155 HG2 GLU 20 HG2 GLU 20 -7.633 0.542 3.593 156 HG3 GLU 20 HG3 GLU 20 -7.493 2.268 3.950 157 H GLY 21 H GLY 21 -8.790 0.573 -0.501 158 HA2 GLY 21 HA2 GLY 21 -10.436 2.386 -1.921 159 HA3 GLY 21 HA3 GLY 21 -9.371 1.182 -2.646 160 H PHE 22 H PHE 22 -10.681 -0.978 -1.232 161 HA PHE 22 HA PHE 22 -13.022 -1.323 -2.843 162 HB2 PHE 22 HB2 PHE 22 -11.699 -3.285 -2.523 163 HB3 PHE 22 HB3 PHE 22 -11.694 -3.080 -0.777 164 HD1 PHE 22 HD1 PHE 22 -12.899 -4.700 0.291 165 HD2 PHE 22 HD2 PHE 22 -14.321 -3.165 -3.397 166 HE1 PHE 22 HE1 PHE 22 -14.880 -6.140 0.480 167 HE2 PHE 22 HE2 PHE 22 -16.322 -4.617 -3.240 168 HZ PHE 22 HZ PHE 22 -16.597 -6.104 -1.293 169 H LEU 23 H LEU 23 -12.365 -1.090 0.633 170 HA LEU 23 HA LEU 23 -14.978 -1.514 1.562 171 HB2 LEU 23 HB2 LEU 23 -12.850 0.110 2.939 172 HB3 LEU 23 HB3 LEU 23 -14.287 -0.564 3.676 173 HG LEU 23 HG LEU 23 -11.895 -2.053 2.633 174 HD11 LEU 23 HD11 LEU 23 -11.752 -2.854 4.941 175 HD12 LEU 23 HD12 LEU 23 -13.113 -1.828 5.373 176 HD13 LEU 23 HD13 LEU 23 -11.601 -1.103 4.833 177 HD21 LEU 23 HD21 LEU 23 -13.843 -3.307 1.992 178 HD22 LEU 23 HD22 LEU 23 -14.526 -3.131 3.605 179 HD23 LEU 23 HD23 LEU 23 -13.066 -4.105 3.362 180 H ASN 24 H ASN 24 -13.557 1.437 0.520 181 HA ASN 24 HA ASN 24 -15.457 3.261 1.536 182 HB2 ASN 24 HB2 ASN 24 -14.616 4.847 -0.013 183 HB3 ASN 24 HB3 ASN 24 -13.268 3.843 0.517 184 HD21 ASN 24 HD21 ASN 24 -14.275 1.617 -1.395 185 HD22 ASN 24 HD22 ASN 24 -13.669 2.164 -2.896 186 H ALA 25 H ALA 25 -16.093 0.837 -0.601 187 HA ALA 25 HA ALA 25 -18.005 2.307 -2.240 188 HB1 ALA 25 HB1 ALA 25 -16.492 0.756 -3.373 189 HB2 ALA 25 HB2 ALA 25 -18.175 0.245 -3.526 190 HB3 ALA 25 HB3 ALA 25 -17.108 -0.571 -2.386 191 H TRP 26 H TRP 26 -18.199 1.499 0.678 192 HA TRP 26 HA TRP 26 -20.277 -0.358 0.906 193 HB2 TRP 26 HB2 TRP 26 -20.637 0.561 3.228 194 HB3 TRP 26 HB3 TRP 26 -18.998 0.066 2.883 195 HD1 TRP 26 HD1 TRP 26 -17.221 2.132 2.498 196 HE1 TRP 26 HE1 TRP 26 -17.127 4.426 3.589 197 HE3 TRP 26 HE3 TRP 26 -22.045 2.365 4.148 198 HZ2 TRP 26 HZ2 TRP 26 -18.920 6.151 4.999 199 HZ3 TRP 26 HZ3 TRP 26 -22.774 4.375 5.366 200 HH2 TRP 26 HH2 TRP 26 -21.238 6.218 5.781 Start of MODEL 18 1 H1 LYS 1 HT1 LYS 1 21.645 -7.793 -1.392 2 H2 LYS 1 HT2 LYS 1 20.039 -8.242 -1.037 3 H3 LYS 1 HT3 LYS 1 21.231 -8.422 0.104 4 HA LYS 1 HA LYS 1 21.535 -6.134 0.376 5 HB2 LYS 1 HB2 LYS 1 20.047 -4.520 -0.823 6 HB3 LYS 1 HB3 LYS 1 21.182 -5.328 -1.882 7 HG2 LYS 1 HG2 LYS 1 19.399 -6.838 -2.628 8 HG3 LYS 1 HG3 LYS 1 18.248 -6.002 -1.585 9 HD2 LYS 1 HD2 LYS 1 18.564 -3.954 -2.873 10 HD3 LYS 1 HD3 LYS 1 19.809 -4.735 -3.843 11 HE2 LYS 1 HE2 LYS 1 17.745 -4.711 -5.094 12 HE3 LYS 1 HE3 LYS 1 18.152 -6.360 -4.642 13 HZ1 LYS 1 HZ1 LYS 1 16.160 -4.660 -3.258 14 HZ2 LYS 1 HZ2 LYS 1 16.520 -6.265 -2.884 15 HZ3 LYS 1 HZ3 LYS 1 15.805 -5.893 -4.346 16 H LYS 2 H LYS 2 20.232 -4.921 1.813 17 HA LYS 2 HA LYS 2 18.088 -6.520 2.960 18 HB2 LYS 2 HB2 LYS 2 19.349 -3.962 3.952 19 HB3 LYS 2 HB3 LYS 2 18.222 -4.970 4.847 20 HG2 LYS 2 HG2 LYS 2 19.853 -6.815 4.769 21 HG3 LYS 2 HG3 LYS 2 20.968 -5.721 3.935 22 HD2 LYS 2 HD2 LYS 2 20.990 -4.238 5.861 23 HD3 LYS 2 HD3 LYS 2 19.817 -5.263 6.665 24 HE2 LYS 2 HE2 LYS 2 22.063 -5.687 7.518 25 HE3 LYS 2 HE3 LYS 2 21.406 -7.105 6.709 26 HZ1 LYS 2 HZ1 LYS 2 23.383 -5.207 5.518 27 HZ2 LYS 2 HZ2 LYS 2 22.795 -6.606 4.786 28 HZ3 LYS 2 HZ3 LYS 2 23.716 -6.712 6.172 29 H LYS 3 H LYS 3 18.627 -3.974 1.027 30 HA LYS 3 HA LYS 3 16.173 -2.531 1.366 31 HB2 LYS 3 HB2 LYS 3 18.174 -1.475 0.393 32 HB3 LYS 3 HB3 LYS 3 18.071 -2.556 -0.981 33 HG2 LYS 3 HG2 LYS 3 15.962 -1.525 -1.642 34 HG3 LYS 3 HG3 LYS 3 16.036 -0.463 -0.229 35 HD2 LYS 3 HD2 LYS 3 18.151 0.455 -1.037 36 HD3 LYS 3 HD3 LYS 3 18.058 -0.588 -2.456 37 HE2 LYS 3 HE2 LYS 3 16.004 0.525 -3.152 38 HE3 LYS 3 HE3 LYS 3 16.065 1.545 -1.714 39 HZ1 LYS 3 HZ1 LYS 3 16.945 2.670 -3.655 40 HZ2 LYS 3 HZ2 LYS 3 18.139 1.487 -3.837 41 HZ3 LYS 3 HZ3 LYS 3 18.133 2.471 -2.489 42 H LYS 4 H LYS 4 14.734 -4.180 1.354 43 HA LYS 4 HA LYS 4 14.185 -6.040 -0.660 44 HB2 LYS 4 HB2 LYS 4 11.848 -6.021 0.432 45 HB3 LYS 4 HB3 LYS 4 13.227 -6.462 1.439 46 HG2 LYS 4 HG2 LYS 4 13.271 -4.183 2.377 47 HG3 LYS 4 HG3 LYS 4 11.901 -3.731 1.383 48 HD2 LYS 4 HD2 LYS 4 11.878 -5.928 3.433 49 HD3 LYS 4 HD3 LYS 4 11.394 -4.265 3.763 50 HE2 LYS 4 HE2 LYS 4 9.619 -4.466 2.070 51 HE3 LYS 4 HE3 LYS 4 10.120 -6.127 1.754 52 HZ1 LYS 4 HZ1 LYS 4 8.228 -6.036 3.299 53 HZ2 LYS 4 HZ2 LYS 4 9.114 -5.080 4.338 54 HZ3 LYS 4 HZ3 LYS 4 9.597 -6.655 4.065 55 H GLN 5 H GLN 5 12.815 -2.893 -0.064 56 HA GLN 5 HA GLN 5 12.217 -2.227 -2.731 57 HB2 GLN 5 HB2 GLN 5 9.761 -2.094 -2.409 58 HB3 GLN 5 HB3 GLN 5 10.272 -3.768 -2.365 59 HG2 GLN 5 HG2 GLN 5 10.256 -3.607 0.127 60 HG3 GLN 5 HG3 GLN 5 9.525 -2.012 -0.041 61 HE21 GLN 5 HE21 GLN 5 7.406 -1.878 -0.781 62 HE22 GLN 5 HE22 GLN 5 6.369 -3.259 -0.806 63 H SER 6 H SER 6 10.767 -0.148 -2.370 64 HA SER 6 HA SER 6 12.132 1.288 -0.276 65 HB2 SER 6 HB2 SER 6 11.091 3.265 -1.422 66 HB3 SER 6 HB3 SER 6 12.163 2.298 -2.441 67 HG SER 6 HG SER 6 10.524 1.567 -3.551 68 H TRP 7 H TRP 7 11.035 2.570 1.204 69 HA TRP 7 HA TRP 7 8.892 1.500 2.548 70 HB2 TRP 7 HB2 TRP 7 8.757 3.743 3.708 71 HB3 TRP 7 HB3 TRP 7 10.353 3.023 3.683 72 HD1 TRP 7 HD1 TRP 7 12.223 4.231 2.142 73 HE1 TRP 7 HE1 TRP 7 12.379 6.590 1.182 74 HE3 TRP 7 HE3 TRP 7 7.362 5.700 2.777 75 HZ2 TRP 7 HZ2 TRP 7 10.684 8.810 0.748 76 HZ3 TRP 7 HZ3 TRP 7 6.729 7.962 2.064 77 HH2 TRP 7 HH2 TRP 7 8.352 9.478 1.079 78 H TYR 8 H TYR 8 8.870 3.896 0.014 79 HA TYR 8 HA TYR 8 6.072 4.417 0.343 80 HB2 TYR 8 HB2 TYR 8 6.217 5.845 -1.663 81 HB3 TYR 8 HB3 TYR 8 7.478 6.227 -0.492 82 HD1 TYR 8 HD1 TYR 8 9.808 5.927 -1.068 83 HD2 TYR 8 HD2 TYR 8 6.750 4.749 -3.775 84 HE1 TYR 8 HE1 TYR 8 11.476 5.719 -2.878 85 HE2 TYR 8 HE2 TYR 8 8.404 4.529 -5.570 86 HH TYR 8 HH TYR 8 10.540 5.380 -6.118 87 H ALA 9 H ALA 9 7.843 2.100 -1.286 88 HA ALA 9 HA ALA 9 5.926 1.428 -3.295 89 HB1 ALA 9 HB1 ALA 9 8.277 0.665 -3.442 90 HB2 ALA 9 HB2 ALA 9 7.155 -0.685 -3.518 91 HB3 ALA 9 HB3 ALA 9 8.038 -0.358 -2.031 92 H ALA 10 H ALA 10 6.493 0.418 0.056 93 HA ALA 10 HA ALA 10 4.456 -1.522 0.063 94 HB1 ALA 10 HB1 ALA 10 6.380 -1.644 1.592 95 HB2 ALA 10 HB2 ALA 10 4.870 -1.519 2.494 96 HB3 ALA 10 HB3 ALA 10 5.902 -0.104 2.302 97 H ALA 11 H ALA 11 4.898 1.711 1.446 98 HA ALA 11 HA ALA 11 2.384 2.060 2.538 99 HB1 ALA 11 HB1 ALA 11 2.813 4.433 2.501 100 HB2 ALA 11 HB2 ALA 11 4.054 4.215 1.276 101 HB3 ALA 11 HB3 ALA 11 4.292 3.558 2.908 102 H GLY 12 H GLY 12 3.373 2.838 -0.754 103 HA2 GLY 12 HA2 GLY 12 0.982 4.051 -1.546 104 HA3 GLY 12 HA3 GLY 12 2.149 3.283 -2.611 105 H ASP 13 H ASP 13 2.124 0.764 -2.023 106 HA ASP 13 HA ASP 13 -0.199 -0.177 -3.362 107 HB2 ASP 13 HB2 ASP 13 2.154 -1.129 -3.477 108 HB3 ASP 13 HB3 ASP 13 1.875 -1.787 -1.880 109 H ALA 14 H ALA 14 0.994 -0.508 -0.174 110 HA ALA 14 HA ALA 14 -0.951 -2.188 0.929 111 HB1 ALA 14 HB1 ALA 14 1.270 -1.772 1.910 112 HB2 ALA 14 HB2 ALA 14 -0.012 -1.544 3.107 113 HB3 ALA 14 HB3 ALA 14 0.778 -0.156 2.340 114 H ILE 15 H ILE 15 -0.802 1.348 0.816 115 HA ILE 15 HA ILE 15 -3.178 1.603 2.395 116 HB ILE 15 HB ILE 15 -1.650 3.660 0.794 117 HG12 ILE 15 HG12 ILE 15 -1.954 3.345 3.774 118 HG13 ILE 15 HG13 ILE 15 -0.595 2.709 2.842 119 HG21 ILE 15 HG21 ILE 15 -3.998 4.366 0.880 120 HG22 ILE 15 HG22 ILE 15 -2.995 5.387 1.913 121 HG23 ILE 15 HG23 ILE 15 -4.004 4.127 2.630 122 HD11 ILE 15 HD11 ILE 15 -1.399 5.572 3.099 123 HD12 ILE 15 HD12 ILE 15 -0.090 4.902 2.111 124 HD13 ILE 15 HD13 ILE 15 -0.020 4.756 3.883 125 H VAL 16 H VAL 16 -2.481 1.695 -0.954 126 HA VAL 16 HA VAL 16 -5.075 2.394 -1.801 127 HB VAL 16 HB VAL 16 -3.136 0.599 -3.300 128 HG11 VAL 16 HG11 VAL 16 -5.419 0.289 -4.142 129 HG12 VAL 16 HG12 VAL 16 -4.455 1.173 -5.321 130 HG13 VAL 16 HG13 VAL 16 -5.608 2.034 -4.299 131 HG21 VAL 16 HG21 VAL 16 -2.251 2.810 -2.874 132 HG22 VAL 16 HG22 VAL 16 -3.713 3.547 -3.537 133 HG23 VAL 16 HG23 VAL 16 -2.629 2.628 -4.585 134 H SER 17 H SER 17 -3.714 -0.729 -1.198 135 HA SER 17 HA SER 17 -6.123 -2.098 -1.745 136 HB2 SER 17 HB2 SER 17 -3.594 -2.970 -0.392 137 HB3 SER 17 HB3 SER 17 -4.931 -4.061 -0.790 138 HG SER 17 HG SER 17 -4.651 -2.943 -2.979 139 H PHE 18 H PHE 18 -4.864 -0.557 1.044 140 HA PHE 18 HA PHE 18 -6.462 -1.750 3.037 141 HB2 PHE 18 HB2 PHE 18 -4.491 0.023 3.098 142 HB3 PHE 18 HB3 PHE 18 -5.813 1.171 3.017 143 HD1 PHE 18 HD1 PHE 18 -7.730 0.812 4.807 144 HD2 PHE 18 HD2 PHE 18 -3.763 -0.656 5.155 145 HE1 PHE 18 HE1 PHE 18 -7.994 0.664 7.250 146 HE2 PHE 18 HE2 PHE 18 -4.026 -0.809 7.600 147 HZ PHE 18 HZ PHE 18 -6.152 -0.144 8.642 148 H GLY 19 H GLY 19 -6.842 0.976 0.824 149 HA2 GLY 19 HA2 GLY 19 -9.441 1.797 1.571 150 HA3 GLY 19 HA3 GLY 19 -8.635 2.132 0.041 151 H GLU 20 H GLU 20 -8.234 -0.389 -0.940 152 HA GLU 20 HA GLU 20 -10.671 -1.108 -2.077 153 HB2 GLU 20 HB2 GLU 20 -8.217 -2.819 -1.743 154 HB3 GLU 20 HB3 GLU 20 -9.540 -3.143 -2.846 155 HG2 GLU 20 HG2 GLU 20 -9.031 -1.122 -4.086 156 HG3 GLU 20 HG3 GLU 20 -7.724 -0.745 -2.968 157 H GLY 21 H GLY 21 -9.054 -2.245 0.690 158 HA2 GLY 21 HA2 GLY 21 -10.662 -4.468 1.384 159 HA3 GLY 21 HA3 GLY 21 -9.755 -3.474 2.546 160 H PHE 22 H PHE 22 -10.888 -1.147 2.372 161 HA PHE 22 HA PHE 22 -13.315 -1.337 3.797 162 HB2 PHE 22 HB2 PHE 22 -11.931 0.595 4.130 163 HB3 PHE 22 HB3 PHE 22 -11.977 0.991 2.415 164 HD1 PHE 22 HD1 PHE 22 -13.754 2.262 1.497 165 HD2 PHE 22 HD2 PHE 22 -13.942 0.951 5.538 166 HE1 PHE 22 HE1 PHE 22 -15.656 3.740 1.863 167 HE2 PHE 22 HE2 PHE 22 -15.865 2.439 5.926 168 HZ PHE 22 HZ PHE 22 -16.724 3.845 4.093 169 H LEU 23 H LEU 23 -12.626 -0.698 0.438 170 HA LEU 23 HA LEU 23 -15.218 0.037 -0.369 171 HB2 LEU 23 HB2 LEU 23 -12.949 -1.045 -2.019 172 HB3 LEU 23 HB3 LEU 23 -14.428 -0.373 -2.667 173 HG LEU 23 HG LEU 23 -12.400 1.160 -1.025 174 HD11 LEU 23 HD11 LEU 23 -11.939 2.352 -3.092 175 HD12 LEU 23 HD12 LEU 23 -13.061 1.302 -3.948 176 HD13 LEU 23 HD13 LEU 23 -11.588 0.631 -3.245 177 HD21 LEU 23 HD21 LEU 23 -13.736 3.124 -1.636 178 HD22 LEU 23 HD22 LEU 23 -14.648 1.987 -0.645 179 HD23 LEU 23 HD23 LEU 23 -14.934 2.066 -2.387 180 H ASN 24 H ASN 24 -14.212 -2.957 0.597 181 HA ASN 24 HA ASN 24 -15.529 -4.780 -1.056 182 HB2 ASN 24 HB2 ASN 24 -15.469 -6.351 0.730 183 HB3 ASN 24 HB3 ASN 24 -14.031 -5.353 0.869 184 HD21 ASN 24 HD21 ASN 24 -15.509 -3.082 2.221 185 HD22 ASN 24 HD22 ASN 24 -15.794 -3.675 3.799 186 H ALA 25 H ALA 25 -16.980 -2.342 0.712 187 HA ALA 25 HA ALA 25 -19.457 -3.768 1.203 188 HB1 ALA 25 HB1 ALA 25 -20.116 -1.841 2.457 189 HB2 ALA 25 HB2 ALA 25 -18.698 -0.956 1.889 190 HB3 ALA 25 HB3 ALA 25 -18.495 -2.333 2.960 191 H TRP 26 H TRP 26 -18.045 -1.825 -1.190 192 HA TRP 26 HA TRP 26 -20.666 -1.292 -2.350 193 HB2 TRP 26 HB2 TRP 26 -18.450 0.769 -2.111 194 HB3 TRP 26 HB3 TRP 26 -19.892 0.969 -3.088 195 HD1 TRP 26 HD1 TRP 26 -18.601 1.419 0.385 196 HE1 TRP 26 HE1 TRP 26 -20.466 2.358 1.892 197 HE3 TRP 26 HE3 TRP 26 -22.573 0.760 -2.745 198 HZ2 TRP 26 HZ2 TRP 26 -23.247 2.748 1.779 199 HZ3 TRP 26 HZ3 TRP 26 -24.814 1.432 -1.961 200 HH2 TRP 26 HH2 TRP 26 -25.135 2.411 0.249 Start of MODEL 19 1 H1 LYS 1 HT1 LYS 1 -15.425 6.455 -3.422 2 H2 LYS 1 HT2 LYS 1 -15.772 7.582 -4.610 3 H3 LYS 1 HT3 LYS 1 -16.831 6.314 -4.325 4 HA LYS 1 HA LYS 1 -16.182 8.443 -2.409 5 HB2 LYS 1 HB2 LYS 1 -18.651 8.038 -4.066 6 HB3 LYS 1 HB3 LYS 1 -18.514 9.198 -2.761 7 HG2 LYS 1 HG2 LYS 1 -16.722 10.372 -4.002 8 HG3 LYS 1 HG3 LYS 1 -16.903 9.200 -5.302 9 HD2 LYS 1 HD2 LYS 1 -19.070 11.040 -4.330 10 HD3 LYS 1 HD3 LYS 1 -18.078 11.307 -5.764 11 HE2 LYS 1 HE2 LYS 1 -18.919 9.227 -6.732 12 HE3 LYS 1 HE3 LYS 1 -19.904 8.948 -5.298 13 HZ1 LYS 1 HZ1 LYS 1 -20.173 11.257 -7.126 14 HZ2 LYS 1 HZ2 LYS 1 -21.097 10.964 -5.760 15 HZ3 LYS 1 HZ3 LYS 1 -21.203 9.917 -7.070 16 H LYS 2 H LYS 2 -15.755 6.448 -1.099 17 HA LYS 2 HA LYS 2 -17.663 6.349 0.878 18 HB2 LYS 2 HB2 LYS 2 -18.872 4.733 -0.638 19 HB3 LYS 2 HB3 LYS 2 -17.448 3.698 -0.602 20 HG2 LYS 2 HG2 LYS 2 -17.726 3.295 1.744 21 HG3 LYS 2 HG3 LYS 2 -19.028 4.478 1.831 22 HD2 LYS 2 HD2 LYS 2 -20.391 3.060 0.323 23 HD3 LYS 2 HD3 LYS 2 -19.085 1.873 0.289 24 HE2 LYS 2 HE2 LYS 2 -19.307 1.505 2.664 25 HE3 LYS 2 HE3 LYS 2 -20.511 2.785 2.777 26 HZ1 LYS 2 HZ1 LYS 2 -21.482 0.579 2.768 27 HZ2 LYS 2 HZ2 LYS 2 -20.841 0.249 1.262 28 HZ3 LYS 2 HZ3 LYS 2 -22.020 1.454 1.443 29 H LYS 3 H LYS 3 -16.010 6.941 2.014 30 HA LYS 3 HA LYS 3 -14.286 6.872 3.333 31 HB2 LYS 3 HB2 LYS 3 -14.714 3.902 3.143 32 HB3 LYS 3 HB3 LYS 3 -13.341 4.544 4.029 33 HG2 LYS 3 HG2 LYS 3 -15.174 4.086 5.553 34 HG3 LYS 3 HG3 LYS 3 -14.862 5.816 5.464 35 HD2 LYS 3 HD2 LYS 3 -16.771 5.978 3.832 36 HD3 LYS 3 HD3 LYS 3 -17.115 4.281 4.173 37 HE2 LYS 3 HE2 LYS 3 -17.072 6.509 6.209 38 HE3 LYS 3 HE3 LYS 3 -18.511 5.835 5.472 39 HZ1 LYS 3 HZ1 LYS 3 -18.088 4.939 7.633 40 HZ2 LYS 3 HZ2 LYS 3 -16.596 4.321 7.144 41 HZ3 LYS 3 HZ3 LYS 3 -18.027 3.728 6.465 42 H LYS 4 H LYS 4 -13.059 4.092 1.473 43 HA LYS 4 HA LYS 4 -11.601 5.817 -0.174 44 HB2 LYS 4 HB2 LYS 4 -9.304 5.221 0.548 45 HB3 LYS 4 HB3 LYS 4 -10.225 6.271 1.611 46 HG2 LYS 4 HG2 LYS 4 -10.696 4.261 3.034 47 HG3 LYS 4 HG3 LYS 4 -9.541 3.369 2.028 48 HD2 LYS 4 HD2 LYS 4 -8.388 4.177 3.994 49 HD3 LYS 4 HD3 LYS 4 -7.821 5.088 2.599 50 HE2 LYS 4 HE2 LYS 4 -9.430 6.914 3.184 51 HE3 LYS 4 HE3 LYS 4 -9.864 6.012 4.628 52 HZ1 LYS 4 HZ1 LYS 4 -7.188 7.138 3.993 53 HZ2 LYS 4 HZ2 LYS 4 -7.571 6.281 5.392 54 HZ3 LYS 4 HZ3 LYS 4 -8.326 7.745 5.065 55 H GLN 5 H GLN 5 -11.288 2.488 0.978 56 HA GLN 5 HA GLN 5 -11.677 1.489 -1.592 57 HB2 GLN 5 HB2 GLN 5 -9.352 0.678 -2.026 58 HB3 GLN 5 HB3 GLN 5 -9.593 2.405 -2.162 59 HG2 GLN 5 HG2 GLN 5 -8.593 2.718 0.061 60 HG3 GLN 5 HG3 GLN 5 -8.308 0.975 0.152 61 HE21 GLN 5 HE21 GLN 5 -6.069 1.439 0.354 62 HE22 GLN 5 HE22 GLN 5 -5.130 1.816 -1.034 63 H SER 6 H SER 6 -11.633 -0.712 -1.682 64 HA SER 6 HA SER 6 -12.383 -2.113 0.604 65 HB2 SER 6 HB2 SER 6 -11.448 -3.194 -2.039 66 HB3 SER 6 HB3 SER 6 -12.495 -4.005 -0.880 67 HG SER 6 HG SER 6 -14.067 -3.066 -1.874 68 H TRP 7 H TRP 7 -11.391 -4.191 1.312 69 HA TRP 7 HA TRP 7 -8.964 -3.938 2.526 70 HB2 TRP 7 HB2 TRP 7 -9.006 -6.388 2.885 71 HB3 TRP 7 HB3 TRP 7 -10.525 -5.601 3.271 72 HD1 TRP 7 HD1 TRP 7 -12.601 -6.148 1.650 73 HE1 TRP 7 HE1 TRP 7 -13.087 -8.080 0.047 74 HE3 TRP 7 HE3 TRP 7 -7.908 -8.051 1.289 75 HZ2 TRP 7 HZ2 TRP 7 -11.651 -10.169 -1.222 76 HZ3 TRP 7 HZ3 TRP 7 -7.540 -10.025 -0.142 77 HH2 TRP 7 HH2 TRP 7 -9.373 -11.055 -1.363 78 H TYR 8 H TYR 8 -9.505 -5.472 -0.572 79 HA TYR 8 HA TYR 8 -6.800 -6.368 -0.826 80 HB2 TYR 8 HB2 TYR 8 -7.359 -6.891 -3.207 81 HB3 TYR 8 HB3 TYR 8 -8.468 -7.599 -2.045 82 HD1 TYR 8 HD1 TYR 8 -10.757 -6.901 -1.944 83 HD2 TYR 8 HD2 TYR 8 -8.094 -5.062 -4.687 84 HE1 TYR 8 HE1 TYR 8 -12.671 -5.879 -3.121 85 HE2 TYR 8 HE2 TYR 8 -9.986 -4.045 -5.868 86 HH TYR 8 HH TYR 8 -12.328 -4.414 -6.155 87 H ALA 9 H ALA 9 -8.447 -3.567 -1.686 88 HA ALA 9 HA ALA 9 -6.463 -2.528 -3.459 89 HB1 ALA 9 HB1 ALA 9 -8.728 -1.188 -2.015 90 HB2 ALA 9 HB2 ALA 9 -8.782 -1.810 -3.664 91 HB3 ALA 9 HB3 ALA 9 -7.765 -0.415 -3.274 92 H ALA 10 H ALA 10 -7.324 -2.130 -0.008 93 HA ALA 10 HA ALA 10 -5.409 -0.231 0.599 94 HB1 ALA 10 HB1 ALA 10 -7.377 -0.653 1.977 95 HB2 ALA 10 HB2 ALA 10 -5.894 -0.888 2.906 96 HB3 ALA 10 HB3 ALA 10 -6.799 -2.283 2.320 97 H ALA 11 H ALA 11 -5.548 -3.754 0.958 98 HA ALA 11 HA ALA 11 -2.974 -4.147 1.998 99 HB1 ALA 11 HB1 ALA 11 -4.477 -5.967 0.123 100 HB2 ALA 11 HB2 ALA 11 -4.711 -5.899 1.870 101 HB3 ALA 11 HB3 ALA 11 -3.162 -6.421 1.204 102 H GLY 12 H GLY 12 -3.974 -4.066 -1.372 103 HA2 GLY 12 HA2 GLY 12 -1.424 -4.584 -2.404 104 HA3 GLY 12 HA3 GLY 12 -2.729 -3.772 -3.265 105 H ASP 13 H ASP 13 -3.107 -1.512 -2.021 106 HA ASP 13 HA ASP 13 -1.020 0.155 -2.939 107 HB2 ASP 13 HB2 ASP 13 -3.335 0.892 -2.925 108 HB3 ASP 13 HB3 ASP 13 -3.394 0.722 -1.178 109 H ALA 14 H ALA 14 -2.035 -0.682 0.222 110 HA ALA 14 HA ALA 14 -0.282 0.909 1.722 111 HB1 ALA 14 HB1 ALA 14 -0.974 -0.415 3.633 112 HB2 ALA 14 HB2 ALA 14 -1.419 -1.747 2.553 113 HB3 ALA 14 HB3 ALA 14 -2.360 -0.299 2.519 114 H ILE 15 H ILE 15 0.063 -2.396 0.579 115 HA ILE 15 HA ILE 15 2.615 -2.756 1.820 116 HB ILE 15 HB ILE 15 1.198 -4.399 -0.290 117 HG12 ILE 15 HG12 ILE 15 1.646 -4.986 2.624 118 HG13 ILE 15 HG13 ILE 15 0.167 -4.269 1.974 119 HG21 ILE 15 HG21 ILE 15 3.695 -5.100 1.264 120 HG22 ILE 15 HG22 ILE 15 3.597 -4.789 -0.477 121 HG23 ILE 15 HG23 ILE 15 2.778 -6.191 0.222 122 HD11 ILE 15 HD11 ILE 15 1.311 -6.959 1.314 123 HD12 ILE 15 HD12 ILE 15 -0.105 -6.208 0.570 124 HD13 ILE 15 HD13 ILE 15 -0.142 -6.636 2.290 125 H VAL 16 H VAL 16 1.526 -1.894 -1.325 126 HA VAL 16 HA VAL 16 4.007 -1.792 -2.614 127 HB VAL 16 HB VAL 16 1.601 0.008 -3.062 128 HG11 VAL 16 HG11 VAL 16 3.627 1.211 -3.805 129 HG12 VAL 16 HG12 VAL 16 2.654 0.704 -5.184 130 HG13 VAL 16 HG13 VAL 16 4.111 -0.193 -4.755 131 HG21 VAL 16 HG21 VAL 16 2.733 -2.297 -4.644 132 HG22 VAL 16 HG22 VAL 16 1.314 -1.339 -5.082 133 HG23 VAL 16 HG23 VAL 16 1.292 -2.333 -3.624 134 H SER 17 H SER 17 2.446 0.690 -0.763 135 HA SER 17 HA SER 17 4.614 2.508 -1.003 136 HB2 SER 17 HB2 SER 17 2.224 2.494 0.829 137 HB3 SER 17 HB3 SER 17 3.391 3.813 0.719 138 HG SER 17 HG SER 17 2.896 3.486 -1.682 139 H PHE 18 H PHE 18 3.853 -0.030 1.171 140 HA PHE 18 HA PHE 18 5.583 0.599 3.308 141 HB2 PHE 18 HB2 PHE 18 3.751 -1.232 2.990 142 HB3 PHE 18 HB3 PHE 18 5.051 -2.181 2.298 143 HD1 PHE 18 HD1 PHE 18 3.277 -1.646 5.139 144 HD2 PHE 18 HD2 PHE 18 7.291 -2.115 3.876 145 HE1 PHE 18 HE1 PHE 18 3.903 -2.344 7.421 146 HE2 PHE 18 HE2 PHE 18 7.934 -2.834 6.147 147 HZ PHE 18 HZ PHE 18 6.237 -2.954 7.919 148 H GLY 19 H GLY 19 5.906 -1.269 0.329 149 HA2 GLY 19 HA2 GLY 19 8.622 -1.951 0.572 150 HA3 GLY 19 HA3 GLY 19 7.686 -1.908 -0.925 151 H GLU 20 H GLU 20 6.985 0.740 -1.045 152 HA GLU 20 HA GLU 20 9.242 2.008 -2.122 153 HB2 GLU 20 HB2 GLU 20 6.734 3.300 -1.065 154 HB3 GLU 20 HB3 GLU 20 7.892 4.037 -2.159 155 HG2 GLU 20 HG2 GLU 20 7.343 2.370 -3.855 156 HG3 GLU 20 HG3 GLU 20 6.182 1.638 -2.747 157 H GLY 21 H GLY 21 7.801 2.183 0.968 158 HA2 GLY 21 HA2 GLY 21 9.359 4.204 2.162 159 HA3 GLY 21 HA3 GLY 21 8.585 2.873 3.029 160 H PHE 22 H PHE 22 9.755 0.752 2.190 161 HA PHE 22 HA PHE 22 12.205 0.582 3.539 162 HB2 PHE 22 HB2 PHE 22 10.931 -1.423 3.265 163 HB3 PHE 22 HB3 PHE 22 10.895 -1.240 1.518 164 HD1 PHE 22 HD1 PHE 22 12.580 -2.120 0.166 165 HD2 PHE 22 HD2 PHE 22 13.079 -2.042 4.382 166 HE1 PHE 22 HE1 PHE 22 14.541 -3.530 -0.064 167 HE2 PHE 22 HE2 PHE 22 15.071 -3.469 4.169 168 HZ PHE 22 HZ PHE 22 15.807 -4.217 1.945 169 H LEU 23 H LEU 23 11.486 1.060 0.160 170 HA LEU 23 HA LEU 23 14.044 0.653 -0.869 171 HB2 LEU 23 HB2 LEU 23 11.764 2.241 -2.001 172 HB3 LEU 23 HB3 LEU 23 13.238 1.891 -2.888 173 HG LEU 23 HG LEU 23 11.222 -0.110 -1.884 174 HD11 LEU 23 HD11 LEU 23 11.913 0.782 -4.671 175 HD12 LEU 23 HD12 LEU 23 10.416 1.104 -3.796 176 HD13 LEU 23 HD13 LEU 23 10.837 -0.548 -4.249 177 HD21 LEU 23 HD21 LEU 23 12.557 -1.761 -3.125 178 HD22 LEU 23 HD22 LEU 23 13.415 -1.091 -1.750 179 HD23 LEU 23 HD23 LEU 23 13.808 -0.543 -3.384 180 H ASN 24 H ASN 24 13.106 3.169 1.073 181 HA ASN 24 HA ASN 24 14.575 5.347 0.054 182 HB2 ASN 24 HB2 ASN 24 14.446 6.341 2.207 183 HB3 ASN 24 HB3 ASN 24 12.954 5.451 2.000 184 HD21 ASN 24 HD21 ASN 24 14.318 2.825 2.674 185 HD22 ASN 24 HD22 ASN 24 14.568 2.872 4.366 186 H ALA 25 H ALA 25 15.711 2.412 1.265 187 HA ALA 25 HA ALA 25 18.253 3.482 2.239 188 HB1 ALA 25 HB1 ALA 25 17.036 1.973 3.716 189 HB2 ALA 25 HB2 ALA 25 18.555 1.243 3.200 190 HB3 ALA 25 HB3 ALA 25 17.037 0.726 2.468 191 H TRP 26 H TRP 26 17.367 3.206 -0.558 192 HA TRP 26 HA TRP 26 18.857 1.111 -1.755 193 HB2 TRP 26 HB2 TRP 26 18.347 2.173 -3.917 194 HB3 TRP 26 HB3 TRP 26 16.915 2.052 -2.916 195 HD1 TRP 26 HD1 TRP 26 16.597 4.665 -1.454 196 HE1 TRP 26 HE1 TRP 26 16.485 6.948 -2.615 197 HE3 TRP 26 HE3 TRP 26 18.892 3.448 -5.838 198 HZ2 TRP 26 HZ2 TRP 26 17.271 8.085 -5.068 199 HZ3 TRP 26 HZ3 TRP 26 19.164 5.178 -7.542 200 HH2 TRP 26 HH2 TRP 26 18.375 7.456 -7.167 Start of MODEL 20 1 H1 LYS 1 HT1 LYS 1 -19.247 -9.947 0.998 2 H2 LYS 1 HT2 LYS 1 -19.240 -10.524 -0.577 3 H3 LYS 1 HT3 LYS 1 -20.478 -9.493 -0.073 4 HA LYS 1 HA LYS 1 -18.933 -8.348 -1.444 5 HB2 LYS 1 HB2 LYS 1 -18.414 -6.486 0.071 6 HB3 LYS 1 HB3 LYS 1 -20.024 -7.104 0.385 7 HG2 LYS 1 HG2 LYS 1 -19.171 -8.327 2.321 8 HG3 LYS 1 HG3 LYS 1 -17.552 -7.699 2.006 9 HD2 LYS 1 HD2 LYS 1 -18.410 -5.408 2.318 10 HD3 LYS 1 HD3 LYS 1 -20.007 -6.074 2.675 11 HE2 LYS 1 HE2 LYS 1 -19.056 -7.305 4.563 12 HE3 LYS 1 HE3 LYS 1 -17.480 -6.605 4.224 13 HZ1 LYS 1 HZ1 LYS 1 -19.910 -5.087 4.982 14 HZ2 LYS 1 HZ2 LYS 1 -18.377 -4.426 4.687 15 HZ3 LYS 1 HZ3 LYS 1 -18.613 -5.446 5.982 16 H LYS 2 H LYS 2 -16.770 -7.608 -1.753 17 HA LYS 2 HA LYS 2 -14.752 -9.327 -0.458 18 HB2 LYS 2 HB2 LYS 2 -13.450 -9.112 -2.495 19 HB3 LYS 2 HB3 LYS 2 -15.026 -9.807 -2.842 20 HG2 LYS 2 HG2 LYS 2 -15.803 -7.722 -3.749 21 HG3 LYS 2 HG3 LYS 2 -14.326 -6.900 -3.253 22 HD2 LYS 2 HD2 LYS 2 -14.525 -9.129 -5.284 23 HD3 LYS 2 HD3 LYS 2 -14.307 -7.414 -5.651 24 HE2 LYS 2 HE2 LYS 2 -12.373 -9.208 -4.175 25 HE3 LYS 2 HE3 LYS 2 -12.195 -8.584 -5.803 26 HZ1 LYS 2 HZ1 LYS 2 -10.906 -7.335 -4.201 27 HZ2 LYS 2 HZ2 LYS 2 -12.303 -6.861 -3.375 28 HZ3 LYS 2 HZ3 LYS 2 -12.051 -6.363 -4.952 29 H LYS 3 H LYS 3 -15.921 -6.547 0.032 30 HA LYS 3 HA LYS 3 -13.445 -5.017 -0.151 31 HB2 LYS 3 HB2 LYS 3 -16.285 -4.057 0.141 32 HB3 LYS 3 HB3 LYS 3 -14.864 -3.016 0.146 33 HG2 LYS 3 HG2 LYS 3 -14.315 -3.775 -2.121 34 HG3 LYS 3 HG3 LYS 3 -15.769 -4.778 -2.112 35 HD2 LYS 3 HD2 LYS 3 -17.147 -2.790 -1.873 36 HD3 LYS 3 HD3 LYS 3 -15.696 -1.782 -1.823 37 HE2 LYS 3 HE2 LYS 3 -15.111 -2.527 -4.093 38 HE3 LYS 3 HE3 LYS 3 -16.551 -3.527 -4.131 39 HZ1 LYS 3 HZ1 LYS 3 -16.862 -1.412 -5.270 40 HZ2 LYS 3 HZ2 LYS 3 -16.592 -0.590 -3.806 41 HZ3 LYS 3 HZ3 LYS 3 -17.916 -1.613 -3.981 42 H LYS 4 H LYS 4 -12.349 -4.915 1.559 43 HA LYS 4 HA LYS 4 -13.680 -4.649 4.162 44 HB2 LYS 4 HB2 LYS 4 -11.640 -5.632 5.165 45 HB3 LYS 4 HB3 LYS 4 -12.455 -6.755 4.085 46 HG2 LYS 4 HG2 LYS 4 -10.803 -6.228 2.332 47 HG3 LYS 4 HG3 LYS 4 -9.987 -5.139 3.451 48 HD2 LYS 4 HD2 LYS 4 -10.380 -8.104 3.872 49 HD3 LYS 4 HD3 LYS 4 -8.901 -7.347 3.282 50 HE2 LYS 4 HE2 LYS 4 -8.663 -6.127 5.364 51 HE3 LYS 4 HE3 LYS 4 -10.171 -6.808 5.961 52 HZ1 LYS 4 HZ1 LYS 4 -7.767 -8.384 5.252 53 HZ2 LYS 4 HZ2 LYS 4 -9.195 -8.990 5.895 54 HZ3 LYS 4 HZ3 LYS 4 -8.218 -7.979 6.816 55 H GLN 5 H GLN 5 -11.663 -3.315 1.791 56 HA GLN 5 HA GLN 5 -11.084 -0.995 3.440 57 HB2 GLN 5 HB2 GLN 5 -9.197 -2.464 1.583 58 HB3 GLN 5 HB3 GLN 5 -8.948 -0.812 2.062 59 HG2 GLN 5 HG2 GLN 5 -8.702 -1.497 4.384 60 HG3 GLN 5 HG3 GLN 5 -9.033 -3.168 3.938 61 HE21 GLN 5 HE21 GLN 5 -6.680 -1.865 5.119 62 HE22 GLN 5 HE22 GLN 5 -5.338 -2.308 4.121 63 H SER 6 H SER 6 -11.587 0.801 2.384 64 HA SER 6 HA SER 6 -12.720 0.674 -0.243 65 HB2 SER 6 HB2 SER 6 -12.008 3.086 1.440 66 HB3 SER 6 HB3 SER 6 -13.104 3.050 0.057 67 HG SER 6 HG SER 6 -13.456 2.183 2.655 68 H TRP 7 H TRP 7 -11.859 2.507 -1.817 69 HA TRP 7 HA TRP 7 -9.373 1.771 -2.754 70 HB2 TRP 7 HB2 TRP 7 -9.495 3.833 -4.190 71 HB3 TRP 7 HB3 TRP 7 -10.947 2.841 -4.247 72 HD1 TRP 7 HD1 TRP 7 -13.142 3.859 -3.059 73 HE1 TRP 7 HE1 TRP 7 -13.802 6.256 -2.478 74 HE3 TRP 7 HE3 TRP 7 -8.573 6.094 -3.495 75 HZ2 TRP 7 HZ2 TRP 7 -12.586 8.763 -2.247 76 HZ3 TRP 7 HZ3 TRP 7 -8.413 8.500 -3.075 77 HH2 TRP 7 HH2 TRP 7 -10.384 9.814 -2.466 78 H TYR 8 H TYR 8 -10.157 4.425 -0.626 79 HA TYR 8 HA TYR 8 -7.500 5.475 -0.644 80 HB2 TYR 8 HB2 TYR 8 -8.283 6.984 1.204 81 HB3 TYR 8 HB3 TYR 8 -9.267 7.068 -0.252 82 HD1 TYR 8 HD1 TYR 8 -11.556 6.295 -0.225 83 HD2 TYR 8 HD2 TYR 8 -9.158 6.000 3.274 84 HE1 TYR 8 HE1 TYR 8 -13.569 5.863 1.107 85 HE2 TYR 8 HE2 TYR 8 -11.167 5.558 4.623 86 HH TYR 8 HH TYR 8 -13.572 5.963 4.483 87 H ALA 9 H ALA 9 -9.167 3.219 1.231 88 HA ALA 9 HA ALA 9 -7.369 3.196 3.467 89 HB1 ALA 9 HB1 ALA 9 -9.396 1.160 2.565 90 HB2 ALA 9 HB2 ALA 9 -9.665 2.449 3.729 91 HB3 ALA 9 HB3 ALA 9 -8.552 1.125 4.115 92 H ALA 10 H ALA 10 -7.815 1.298 0.510 93 HA ALA 10 HA ALA 10 -5.686 -0.486 0.915 94 HB1 ALA 10 HB1 ALA 10 -6.949 0.528 -1.633 95 HB2 ALA 10 HB2 ALA 10 -7.509 -0.865 -0.709 96 HB3 ALA 10 HB3 ALA 10 -5.915 -0.892 -1.475 97 H ALA 11 H ALA 11 -6.024 2.567 -0.848 98 HA ALA 11 HA ALA 11 -3.420 2.807 -1.776 99 HB1 ALA 11 HB1 ALA 11 -5.168 5.078 -0.825 100 HB2 ALA 11 HB2 ALA 11 -5.263 4.332 -2.413 101 HB3 ALA 11 HB3 ALA 11 -3.799 5.194 -1.926 102 H GLY 12 H GLY 12 -4.693 3.753 1.366 103 HA2 GLY 12 HA2 GLY 12 -2.447 4.992 2.402 104 HA3 GLY 12 HA3 GLY 12 -3.660 4.143 3.352 105 H ASP 13 H ASP 13 -3.428 1.615 2.748 106 HA ASP 13 HA ASP 13 -0.982 0.881 4.070 107 HB2 ASP 13 HB2 ASP 13 -3.139 -0.414 4.340 108 HB3 ASP 13 HB3 ASP 13 -2.944 -0.950 2.687 109 H ALA 14 H ALA 14 -2.230 0.458 0.920 110 HA ALA 14 HA ALA 14 -0.303 -1.178 -0.218 111 HB1 ALA 14 HB1 ALA 14 -1.853 0.927 -1.717 112 HB2 ALA 14 HB2 ALA 14 -2.585 -0.519 -1.137 113 HB3 ALA 14 HB3 ALA 14 -1.269 -0.624 -2.340 114 H ILE 15 H ILE 15 -0.387 2.378 -0.130 115 HA ILE 15 HA ILE 15 2.033 2.563 -1.643 116 HB ILE 15 HB ILE 15 0.577 4.682 -0.048 117 HG12 ILE 15 HG12 ILE 15 0.695 4.254 -3.027 118 HG13 ILE 15 HG13 ILE 15 -0.617 3.693 -1.993 119 HG21 ILE 15 HG21 ILE 15 1.919 6.321 -1.315 120 HG22 ILE 15 HG22 ILE 15 2.818 4.999 -2.062 121 HG23 ILE 15 HG23 ILE 15 2.953 5.289 -0.323 122 HD11 ILE 15 HD11 ILE 15 -1.217 5.767 -3.073 123 HD12 ILE 15 HD12 ILE 15 0.239 6.531 -2.404 124 HD13 ILE 15 HD13 ILE 15 -1.046 5.976 -1.323 125 H VAL 16 H VAL 16 1.206 2.762 1.688 126 HA VAL 16 HA VAL 16 3.799 3.372 2.649 127 HB VAL 16 HB VAL 16 1.601 1.819 4.065 128 HG11 VAL 16 HG11 VAL 16 4.124 3.020 5.231 129 HG12 VAL 16 HG12 VAL 16 3.786 1.303 5.055 130 HG13 VAL 16 HG13 VAL 16 2.809 2.285 6.149 131 HG21 VAL 16 HG21 VAL 16 2.448 4.716 4.236 132 HG22 VAL 16 HG22 VAL 16 1.244 3.941 5.264 133 HG23 VAL 16 HG23 VAL 16 0.948 4.092 3.543 134 H SER 17 H SER 17 2.254 0.347 2.043 135 HA SER 17 HA SER 17 4.439 -1.257 2.827 136 HB2 SER 17 HB2 SER 17 2.027 -1.894 1.118 137 HB3 SER 17 HB3 SER 17 3.143 -3.087 1.776 138 HG SER 17 HG SER 17 1.016 -2.145 3.008 139 H PHE 18 H PHE 18 3.630 0.420 -0.069 140 HA PHE 18 HA PHE 18 5.260 -0.993 -1.913 141 HB2 PHE 18 HB2 PHE 18 3.381 0.834 -2.197 142 HB3 PHE 18 HB3 PHE 18 4.711 1.962 -2.074 143 HD1 PHE 18 HD1 PHE 18 2.660 0.521 -4.285 144 HD2 PHE 18 HD2 PHE 18 6.823 1.033 -3.658 145 HE1 PHE 18 HE1 PHE 18 3.046 0.229 -6.695 146 HE2 PHE 18 HE2 PHE 18 7.228 0.751 -6.075 147 HZ PHE 18 HZ PHE 18 5.336 0.343 -7.594 148 H GLY 19 H GLY 19 5.680 1.877 0.130 149 HA2 GLY 19 HA2 GLY 19 8.366 2.433 -0.543 150 HA3 GLY 19 HA3 GLY 19 7.512 2.993 0.891 151 H GLU 20 H GLU 20 6.886 0.647 2.107 152 HA GLU 20 HA GLU 20 9.229 -0.099 3.453 153 HB2 GLU 20 HB2 GLU 20 6.602 -1.543 3.170 154 HB3 GLU 20 HB3 GLU 20 7.836 -2.010 4.318 155 HG2 GLU 20 HG2 GLU 20 6.460 0.668 4.278 156 HG3 GLU 20 HG3 GLU 20 6.005 -0.682 5.316 157 H GLY 21 H GLY 21 7.536 -1.484 0.834 158 HA2 GLY 21 HA2 GLY 21 9.045 -3.857 0.478 159 HA3 GLY 21 HA3 GLY 21 8.028 -3.099 -0.741 160 H PHE 22 H PHE 22 9.781 -0.610 -0.255 161 HA PHE 22 HA PHE 22 11.698 -1.194 -2.309 162 HB2 PHE 22 HB2 PHE 22 10.700 0.985 -2.371 163 HB3 PHE 22 HB3 PHE 22 11.067 1.261 -0.682 164 HD1 PHE 22 HD1 PHE 22 12.835 0.596 -3.907 165 HD2 PHE 22 HD2 PHE 22 12.842 2.555 -0.138 166 HE1 PHE 22 HE1 PHE 22 14.918 1.762 -4.519 167 HE2 PHE 22 HE2 PHE 22 14.928 3.715 -0.728 168 HZ PHE 22 HZ PHE 22 15.975 3.318 -2.919 169 H LEU 23 H LEU 23 11.668 -0.800 1.127 170 HA LEU 23 HA LEU 23 14.466 -0.376 1.473 171 HB2 LEU 23 HB2 LEU 23 12.417 -1.236 3.502 172 HB3 LEU 23 HB3 LEU 23 14.016 -0.603 3.834 173 HG LEU 23 HG LEU 23 11.732 0.908 2.576 174 HD11 LEU 23 HD11 LEU 23 13.068 1.187 5.247 175 HD12 LEU 23 HD12 LEU 23 11.449 0.557 4.943 176 HD13 LEU 23 HD13 LEU 23 11.822 2.245 4.589 177 HD21 LEU 23 HD21 LEU 23 14.527 1.823 3.233 178 HD22 LEU 23 HD22 LEU 23 13.201 2.852 2.674 179 HD23 LEU 23 HD23 LEU 23 13.849 1.589 1.619 180 H ASN 24 H ASN 24 12.786 -3.090 0.731 181 HA ASN 24 HA ASN 24 14.111 -5.051 2.306 182 HB2 ASN 24 HB2 ASN 24 13.074 -6.678 0.981 183 HB3 ASN 24 HB3 ASN 24 11.942 -5.331 1.015 184 HD21 ASN 24 HD21 ASN 24 13.455 -3.746 -1.136 185 HD22 ASN 24 HD22 ASN 24 13.160 -4.664 -2.560 186 H ALA 25 H ALA 25 15.303 -3.134 -0.123 187 HA ALA 25 HA ALA 25 17.047 -5.159 -1.259 188 HB1 ALA 25 HB1 ALA 25 17.680 -3.468 -2.876 189 HB2 ALA 25 HB2 ALA 25 16.721 -2.259 -2.016 190 HB3 ALA 25 HB3 ALA 25 15.926 -3.637 -2.785 191 H TRP 26 H TRP 26 17.122 -2.640 1.116 192 HA TRP 26 HA TRP 26 19.781 -3.247 1.704 193 HB2 TRP 26 HB2 TRP 26 20.731 -0.991 1.384 194 HB3 TRP 26 HB3 TRP 26 20.271 -1.783 -0.115 195 HD1 TRP 26 HD1 TRP 26 17.340 -0.869 -0.544 196 HE1 TRP 26 HE1 TRP 26 16.751 1.611 -0.907 197 HE3 TRP 26 HE3 TRP 26 21.481 1.238 1.523 198 HZ2 TRP 26 HZ2 TRP 26 17.906 4.124 -0.393 199 HZ3 TRP 26 HZ3 TRP 26 21.680 3.696 1.545 200 HH2 TRP 26 HH2 TRP 26 19.929 5.106 0.601
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