NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
642414 | 6r96 | 34388 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HN PHE 1 0.833 3.983 -8.454 2 HA PHE 1 HA PHE 1 3.290 4.328 -7.022 3 HB2 PHE 1 HB1 PHE 1 2.696 6.678 -6.274 4 HB3 PHE 1 HB2 PHE 1 3.064 6.545 -8.031 5 HD1 PHE 1 HD1 PHE 1 1.261 6.677 -9.715 6 HD2 PHE 1 HD2 PHE 1 0.459 7.288 -5.543 7 HE1 PHE 1 HE1 PHE 1 -0.887 7.766 -10.290 8 HE2 PHE 1 HE2 PHE 1 -1.680 8.396 -6.114 9 HZ PHE 1 HZ PHE 1 -2.362 8.628 -8.490 10 H LEU 2 HN LEU 2 3.152 3.696 -4.983 11 HA LEU 2 HA LEU 2 2.359 2.759 -3.175 12 HB2 LEU 2 HB1 LEU 2 -0.194 4.346 -3.707 13 HB3 LEU 2 HB2 LEU 2 -0.103 3.181 -2.377 14 HG LEU 2 HG LEU 2 0.220 5.436 -1.591 15 HD11 LEU 2 HD11 LEU 2 2.221 5.107 -0.190 16 HD12 LEU 2 HD12 LEU 2 2.826 3.816 -1.287 17 HD13 LEU 2 HD13 LEU 2 1.299 3.572 -0.348 18 HD21 LEU 2 HD21 LEU 2 2.845 5.605 -3.186 19 HD22 LEU 2 HD22 LEU 2 2.160 6.840 -2.069 20 HD23 LEU 2 HD23 LEU 2 1.305 6.446 -3.609 21 HA PRO 3 HA PRO 3 -0.247 -0.719 -4.556 22 HB2 PRO 3 HB1 PRO 3 -1.142 -1.782 -2.149 23 HB3 PRO 3 HB2 PRO 3 0.567 -1.972 -2.688 24 HG2 PRO 3 HG1 PRO 3 -0.535 0.199 -0.809 25 HG3 PRO 3 HG2 PRO 3 0.833 -0.949 -0.491 26 HD2 PRO 3 HD1 PRO 3 1.243 1.601 -1.473 27 HD3 PRO 3 HD2 PRO 3 2.262 0.209 -2.059 28 H ILE 4 HN ILE 4 -2.734 -1.332 -3.497 29 HA ILE 4 HA ILE 4 -4.274 0.403 -4.786 30 HB ILE 4 HB ILE 4 -6.243 -0.641 -3.733 31 HG12 ILE 4 HG11 ILE 4 -4.182 -2.138 -1.984 32 HG13 ILE 4 HG12 ILE 4 -5.300 -0.866 -1.395 33 HG21 ILE 4 HG21 ILE 4 -4.957 -1.594 -5.679 34 HG22 ILE 4 HG22 ILE 4 -3.984 -2.595 -4.537 35 HG23 ILE 4 HG23 ILE 4 -5.758 -2.854 -4.685 36 HD11 ILE 4 HD1 ILE 4 -6.134 -3.592 -2.592 37 HD12 ILE 4 HD2 ILE 4 -6.249 -3.076 -0.873 38 HD13 ILE 4 HD3 ILE 4 -7.274 -2.279 -2.121 39 H LEU 5 HN LEU 5 -3.366 1.010 -1.497 40 HA LEU 5 HA LEU 5 -5.216 2.572 -0.385 41 HB2 LEU 5 HB1 LEU 5 -2.231 3.224 -0.553 42 HB3 LEU 5 HB2 LEU 5 -3.357 3.719 0.752 43 HG LEU 5 HG LEU 5 -2.500 0.831 0.081 44 HD11 LEU 5 HD11 LEU 5 -0.690 2.210 1.097 45 HD12 LEU 5 HD12 LEU 5 -1.279 0.937 2.233 46 HD13 LEU 5 HD13 LEU 5 -1.788 2.648 2.459 47 HD21 LEU 5 HD21 LEU 5 -4.305 1.889 2.351 48 HD22 LEU 5 HD22 LEU 5 -3.641 0.221 2.238 49 HD23 LEU 5 HD23 LEU 5 -4.808 0.801 1.001 50 H ALA 6 HN ALA 6 -3.060 3.867 -2.999 51 HA ALA 6 HA ALA 6 -4.054 6.515 -2.830 52 HB1 ALA 6 HB1 ALA 6 -1.913 5.888 -3.963 53 HB2 ALA 6 HB2 ALA 6 -2.815 4.904 -5.158 54 HB3 ALA 6 HB3 ALA 6 -3.011 6.695 -5.139 55 H SER 7 HN SER 7 -5.038 3.753 -4.940 56 HA SER 7 HA SER 7 -7.237 5.047 -6.131 57 HB2 SER 7 HB1 SER 7 -6.892 2.032 -5.644 58 HB3 SER 7 HB2 SER 7 -7.910 2.808 -6.904 59 HG SER 7 HG1 SER 7 -6.042 3.405 -7.969 60 H LEU 8 HN LEU 8 -6.946 3.164 -3.092 61 HA LEU 8 HA LEU 8 -9.737 3.143 -2.582 62 HB2 LEU 8 HB1 LEU 8 -7.407 2.982 -0.616 63 HB3 LEU 8 HB2 LEU 8 -9.126 2.778 -0.161 64 HG LEU 8 HG LEU 8 -7.615 0.974 -2.134 65 HD11 LEU 8 HD11 LEU 8 -7.744 -0.720 -0.296 66 HD12 LEU 8 HD12 LEU 8 -8.504 0.502 0.786 67 HD13 LEU 8 HD13 LEU 8 -6.809 0.735 0.217 68 HD21 LEU 8 HD21 LEU 8 -10.044 0.988 -2.677 69 HD22 LEU 8 HD22 LEU 8 -10.448 0.740 -0.928 70 HD23 LEU 8 HD23 LEU 8 -9.606 -0.551 -1.856 71 H ALA 9 HN ALA 9 -7.229 5.563 -1.691 72 HA ALA 9 HA ALA 9 -8.960 7.328 -0.402 73 HB1 ALA 9 HB1 ALA 9 -6.490 7.953 -2.142 74 HB2 ALA 9 HB2 ALA 9 -7.255 9.073 -0.950 75 HB3 ALA 9 HB3 ALA 9 -6.471 7.554 -0.389 76 H ALA 10 HN ALA 10 -8.226 6.980 -3.889 77 HA ALA 10 HA ALA 10 -9.909 8.960 -4.841 78 HB1 ALA 10 HB1 ALA 10 -9.719 7.723 -6.995 79 HB2 ALA 10 HB2 ALA 10 -8.146 7.587 -6.110 80 HB3 ALA 10 HB3 ALA 10 -9.298 6.209 -6.141 81 H LYS 11 HN LYS 11 -10.743 5.527 -4.203 82 HA LYS 11 HA LYS 11 -13.378 5.857 -5.327 83 HB2 LYS 11 HB1 LYS 11 -12.071 3.805 -5.620 84 HB3 LYS 11 HB2 LYS 11 -12.009 3.518 -3.862 85 HG2 LYS 11 HG1 LYS 11 -14.717 3.670 -5.301 86 HG3 LYS 11 HG2 LYS 11 -13.713 2.200 -5.463 87 HD2 LYS 11 HD1 LYS 11 -13.767 1.681 -3.138 88 HD3 LYS 11 HD2 LYS 11 -14.295 3.324 -2.693 89 HE2 LYS 11 HE1 LYS 11 -16.552 2.830 -3.884 90 HE3 LYS 11 HE2 LYS 11 -16.034 1.092 -3.904 91 HZ1 LYS 11 HZ1 LYS 11 -16.301 2.898 -1.551 92 HZ2 LYS 11 HZ2 LYS 11 -15.611 1.373 -1.467 93 HZ3 LYS 11 HZ3 LYS 11 -17.248 1.530 -1.894 94 H PHE 12 HN PHE 12 -12.139 5.515 -1.954 95 HA PHE 12 HA PHE 12 -14.897 5.567 -0.966 96 HB2 PHE 12 HB1 PHE 12 -12.136 5.129 0.283 97 HB3 PHE 12 HB2 PHE 12 -13.535 5.557 1.332 98 HD1 PHE 12 HD1 PHE 12 -15.502 4.157 1.471 99 HD2 PHE 12 HD2 PHE 12 -12.013 2.882 -0.672 100 HE1 PHE 12 HE1 PHE 12 -16.236 1.804 1.696 101 HE2 PHE 12 HE2 PHE 12 -12.750 0.519 -0.468 102 HZ PHE 12 HZ PHE 12 -14.850 -0.023 0.740 103 H GLY 13 HN GLY 13 -12.288 7.741 -1.574 104 HA2 GLY 13 HA1 GLY 13 -13.974 9.912 -0.492 105 HA3 GLY 13 HA2 GLY 13 -12.227 9.958 -0.920 106 HA PRO 14 HA PRO 14 -14.459 10.624 -5.008 107 HB2 PRO 14 HB1 PRO 14 -17.152 11.404 -4.870 108 HB3 PRO 14 HB2 PRO 14 -16.634 9.702 -5.178 109 HG2 PRO 14 HG1 PRO 14 -17.425 10.940 -2.484 110 HG3 PRO 14 HG2 PRO 14 -18.012 9.392 -3.219 111 HD2 PRO 14 HD1 PRO 14 -15.969 9.416 -1.363 112 HD3 PRO 14 HD2 PRO 14 -15.909 8.284 -2.781 113 H LYS 15 HN LYS 15 -15.298 11.969 -1.887 114 HA LYS 15 HA LYS 15 -14.909 14.718 -2.470 115 HB2 LYS 15 HB1 LYS 15 -14.136 13.104 0.048 116 HB3 LYS 15 HB2 LYS 15 -14.235 14.887 -0.050 117 HG2 LYS 15 HG1 LYS 15 -16.694 14.735 -0.457 118 HG3 LYS 15 HG2 LYS 15 -16.611 12.945 -0.337 119 HD2 LYS 15 HD1 LYS 15 -15.632 13.154 1.973 120 HD3 LYS 15 HD2 LYS 15 -15.752 14.940 1.853 121 HE2 LYS 15 HE1 LYS 15 -18.267 14.771 1.715 122 HE3 LYS 15 HE2 LYS 15 -18.147 12.969 1.830 123 HZ1 LYS 15 HZ1 LYS 15 -18.598 13.981 3.975 124 HZ2 LYS 15 HZ2 LYS 15 -17.196 14.922 3.879 125 HZ3 LYS 15 HZ3 LYS 15 -17.077 13.240 3.988 126 H LEU 16 HN LEU 16 -12.564 12.103 -1.542 127 HA LEU 16 HA LEU 16 -10.341 13.859 -1.572 128 HB2 LEU 16 HB1 LEU 16 -10.442 10.821 -1.653 129 HB3 LEU 16 HB2 LEU 16 -8.956 11.785 -1.423 130 HG LEU 16 HG LEU 16 -11.352 11.794 0.507 131 HD11 LEU 16 HD11 LEU 16 -10.156 9.590 0.414 132 HD12 LEU 16 HD12 LEU 16 -9.869 10.436 1.983 133 HD13 LEU 16 HD13 LEU 16 -8.593 10.431 0.712 134 HD21 LEU 16 HD21 LEU 16 -9.754 12.936 2.073 135 HD22 LEU 16 HD22 LEU 16 -10.056 13.944 0.613 136 HD23 LEU 16 HD23 LEU 16 -8.522 13.007 0.767 137 H PHE 17 HN PHE 17 -11.518 11.493 -4.100 138 HA PHE 17 HA PHE 17 -9.325 12.176 -5.730 139 HB2 PHE 17 HB1 PHE 17 -11.247 10.205 -5.921 140 HB3 PHE 17 HB2 PHE 17 -11.859 11.325 -7.175 141 HD1 PHE 17 HD1 PHE 17 -11.312 10.193 -9.181 142 HD2 PHE 17 HD2 PHE 17 -8.292 10.422 -6.131 143 HE1 PHE 17 HE1 PHE 17 -9.680 9.092 -10.689 144 HE2 PHE 17 HE2 PHE 17 -6.675 9.354 -7.648 145 HZ PHE 17 HZ PHE 17 -7.354 8.699 -9.930 146 H ABA 18 HN AGL 18 -12.543 13.723 -5.521 147 HA ABA 18 HA AGL 18 -11.957 15.595 -7.577 148 HB3 ABA 18 HB2 AGL 18 -13.776 17.004 -6.380 149 HB2 ABA 18 HB1 AGL 18 -13.933 15.642 -5.244 150 HG3 ABA 18 HG AGL 18 -14.884 14.191 -6.962 151 H LEU 19 HN LEU 19 -11.220 15.688 -4.040 152 HA LEU 19 HA LEU 19 -10.190 18.373 -4.393 153 HB2 LEU 19 HB1 LEU 19 -11.391 17.767 -2.329 154 HB3 LEU 19 HB2 LEU 19 -10.190 16.491 -1.979 155 HG LEU 19 HG LEU 19 -8.400 18.234 -1.731 156 HD11 LEU 19 HD11 LEU 19 -9.024 20.656 -1.571 157 HD12 LEU 19 HD12 LEU 19 -10.679 20.267 -2.176 158 HD13 LEU 19 HD13 LEU 19 -9.236 20.017 -3.235 159 HD21 LEU 19 HD21 LEU 19 -9.664 17.466 0.261 160 HD22 LEU 19 HD22 LEU 19 -10.884 18.775 0.003 161 HD23 LEU 19 HD23 LEU 19 -9.178 19.194 0.407 162 H VAL 20 HN VAL 20 -8.612 15.269 -3.338 163 HA VAL 20 HA VAL 20 -6.051 16.491 -3.180 164 HB VAL 20 HB VAL 20 -6.841 13.535 -3.158 165 HG11 VAL 20 HG11 VAL 20 -4.612 13.266 -1.969 166 HG12 VAL 20 HG12 VAL 20 -4.411 13.802 -3.669 167 HG13 VAL 20 HG13 VAL 20 -4.234 14.992 -2.326 168 HG21 VAL 20 HG21 VAL 20 -6.366 15.575 -0.878 169 HG22 VAL 20 HG22 VAL 20 -7.951 14.821 -1.309 170 HG23 VAL 20 HG23 VAL 20 -6.614 13.807 -0.657 171 H THR 21 HN THR 21 -7.550 14.192 -5.491 172 HA THR 21 HA THR 21 -5.144 14.428 -7.162 173 HB THR 21 HB THR 21 -7.498 12.630 -7.760 174 HG1 THR 21 HG1 THR 21 -6.203 11.091 -6.630 175 HG21 THR 21 HG21 THR 21 -5.614 11.216 -8.749 176 HG22 THR 21 HG22 THR 21 -4.431 12.488 -8.274 177 HG23 THR 21 HG23 THR 21 -5.676 12.823 -9.530 178 H LYS 22 HN LYS 22 -7.927 16.115 -6.842 179 HA LYS 22 HA LYS 22 -9.141 17.493 -8.070 180 HB2 LYS 22 HB1 LYS 22 -6.609 18.158 -8.256 181 HB3 LYS 22 HB2 LYS 22 -6.807 17.835 -9.989 182 HG2 LYS 22 HG1 LYS 22 -8.458 19.786 -8.231 183 HG3 LYS 22 HG2 LYS 22 -7.035 20.278 -9.174 184 HD2 LYS 22 HD1 LYS 22 -9.719 19.252 -10.310 185 HD3 LYS 22 HD2 LYS 22 -9.227 20.955 -10.213 186 HE2 LYS 22 HE1 LYS 22 -7.889 18.775 -11.980 187 HE3 LYS 22 HE2 LYS 22 -9.002 20.083 -12.529 188 HZ1 LYS 22 HZ1 LYS 22 -6.353 20.439 -11.236 189 HZ2 LYS 22 HZ2 LYS 22 -7.372 21.693 -11.767 190 HZ3 LYS 22 HZ3 LYS 22 -6.688 20.615 -12.891 191 H LYS 23 HN LYS 23 -9.917 14.900 -8.852 192 HA LYS 23 HA LYS 23 -10.018 15.027 -11.788 193 HB2 LYS 23 HB1 LYS 23 -10.413 12.888 -9.735 194 HB3 LYS 23 HB2 LYS 23 -11.347 12.694 -11.236 195 HG2 LYS 23 HG1 LYS 23 -8.299 13.033 -11.040 196 HG3 LYS 23 HG2 LYS 23 -9.174 11.508 -11.327 197 HD2 LYS 23 HD1 LYS 23 -8.899 13.896 -13.267 198 HD3 LYS 23 HD2 LYS 23 -8.204 12.269 -13.371 199 HE2 LYS 23 HE1 LYS 23 -9.901 12.017 -14.904 200 HE3 LYS 23 HE2 LYS 23 -10.743 11.412 -13.429 201 HZ1 LYS 23 HZ1 LYS 23 -10.925 14.154 -14.605 202 HZ2 LYS 23 HZ2 LYS 23 -11.733 13.668 -13.213 203 HZ3 LYS 23 HZ3 LYS 23 -12.105 12.947 -14.690 204 H ABA 24 HN AGL 24 -11.889 16.460 -9.543 205 HA ABA 24 HA AGL 24 -14.353 16.166 -11.145 206 HB3 ABA 24 HB2 AGL 24 -15.432 17.544 -9.321 207 HB2 ABA 24 HB1 AGL 24 -13.871 17.577 -8.457 208 HG3 ABA 24 HG AGL 24 -15.531 14.995 -9.119 Start of MODEL 2 1 H1 PHE 1 HN PHE 1 2.300 0.435 1.669 2 HA PHE 1 HA PHE 1 3.626 1.772 -0.276 3 HB2 PHE 1 HB1 PHE 1 4.980 -0.492 -0.599 4 HB3 PHE 1 HB2 PHE 1 5.002 0.342 0.989 5 HD1 PHE 1 HD1 PHE 1 4.218 -0.684 2.937 6 HD2 PHE 1 HD2 PHE 1 3.339 -2.476 -0.867 7 HE1 PHE 1 HE1 PHE 1 3.322 -2.679 4.089 8 HE2 PHE 1 HE2 PHE 1 2.402 -4.461 0.294 9 HZ PHE 1 HZ PHE 1 2.405 -4.567 2.769 10 H LEU 2 HN LEU 2 1.150 -0.600 -0.766 11 HA LEU 2 HA LEU 2 1.359 -1.153 -3.443 12 HB2 LEU 2 HB1 LEU 2 -1.232 -0.516 -1.925 13 HB3 LEU 2 HB2 LEU 2 -1.096 -1.413 -3.472 14 HG LEU 2 HG LEU 2 -1.560 -3.019 -1.899 15 HD11 LEU 2 HD11 LEU 2 1.503 -3.195 -2.162 16 HD12 LEU 2 HD12 LEU 2 0.298 -3.718 -3.403 17 HD13 LEU 2 HD13 LEU 2 0.371 -4.543 -1.803 18 HD21 LEU 2 HD21 LEU 2 0.596 -2.045 0.063 19 HD22 LEU 2 HD22 LEU 2 -0.558 -3.399 0.278 20 HD23 LEU 2 HD23 LEU 2 -1.172 -1.711 0.178 21 HA PRO 3 HA PRO 3 0.767 2.791 -5.302 22 HB2 PRO 3 HB1 PRO 3 -0.058 2.172 -7.917 23 HB3 PRO 3 HB2 PRO 3 1.594 1.791 -7.301 24 HG2 PRO 3 HG1 PRO 3 -0.833 -0.092 -7.385 25 HG3 PRO 3 HG2 PRO 3 0.836 -0.404 -8.017 26 HD2 PRO 3 HD1 PRO 3 0.093 -1.290 -5.520 27 HD3 PRO 3 HD2 PRO 3 1.741 -0.551 -5.766 28 H ILE 4 HN ILE 4 -1.898 0.573 -5.245 29 HA ILE 4 HA ILE 4 -4.002 2.124 -6.069 30 HB ILE 4 HB ILE 4 -5.510 0.674 -4.896 31 HG12 ILE 4 HG11 ILE 4 -3.047 -0.610 -3.578 32 HG13 ILE 4 HG12 ILE 4 -4.205 0.467 -2.732 33 HG21 ILE 4 HG21 ILE 4 -3.152 -0.891 -6.144 34 HG22 ILE 4 HG22 ILE 4 -4.880 -1.388 -6.067 35 HG23 ILE 4 HG23 ILE 4 -4.405 0.024 -7.068 36 HD11 ILE 4 HD1 ILE 4 -6.080 -1.144 -3.234 37 HD12 ILE 4 HD2 ILE 4 -4.897 -2.268 -3.997 38 HD13 ILE 4 HD3 ILE 4 -4.770 -1.881 -2.246 39 H LEU 5 HN LEU 5 -2.223 2.804 -3.183 40 HA LEU 5 HA LEU 5 -4.313 3.728 -1.581 41 HB2 LEU 5 HB1 LEU 5 -1.412 4.695 -1.727 42 HB3 LEU 5 HB2 LEU 5 -2.544 4.980 -0.364 43 HG LEU 5 HG LEU 5 -1.510 2.237 -1.318 44 HD11 LEU 5 HD11 LEU 5 0.249 3.588 -0.235 45 HD12 LEU 5 HD12 LEU 5 -0.259 2.229 0.830 46 HD13 LEU 5 HD13 LEU 5 -0.830 3.902 1.181 47 HD21 LEU 5 HD21 LEU 5 -2.527 1.360 0.810 48 HD22 LEU 5 HD22 LEU 5 -3.771 1.944 -0.348 49 HD23 LEU 5 HD23 LEU 5 -3.315 2.955 1.081 50 H ALA 6 HN ALA 6 -2.543 5.451 -4.162 51 HA ALA 6 HA ALA 6 -3.845 7.944 -3.848 52 HB1 ALA 6 HB1 ALA 6 -2.687 6.519 -6.334 53 HB2 ALA 6 HB2 ALA 6 -3.079 8.277 -6.239 54 HB3 ALA 6 HB3 ALA 6 -1.769 7.587 -5.218 55 H SER 7 HN SER 7 -4.701 5.020 -5.773 56 HA SER 7 HA SER 7 -7.046 6.040 -6.917 57 HB2 SER 7 HB1 SER 7 -6.535 3.099 -6.178 58 HB3 SER 7 HB2 SER 7 -7.619 3.718 -7.466 59 HG SER 7 HG1 SER 7 -5.827 4.254 -8.654 60 H LEU 8 HN LEU 8 -6.542 4.273 -3.835 61 HA LEU 8 HA LEU 8 -9.262 4.152 -3.120 62 HB2 LEU 8 HB1 LEU 8 -6.712 4.079 -1.442 63 HB3 LEU 8 HB2 LEU 8 -8.343 3.846 -0.738 64 HG LEU 8 HG LEU 8 -7.153 2.071 -2.944 65 HD11 LEU 8 HD11 LEU 8 -6.830 0.384 -1.137 66 HD12 LEU 8 HD12 LEU 8 -7.406 1.574 0.090 67 HD13 LEU 8 HD13 LEU 8 -5.876 1.880 -0.811 68 HD21 LEU 8 HD21 LEU 8 -9.657 1.729 -1.173 69 HD22 LEU 8 HD22 LEU 8 -9.001 0.498 -2.311 70 HD23 LEU 8 HD23 LEU 8 -9.657 2.044 -2.956 71 H ALA 9 HN ALA 9 -6.811 6.676 -2.480 72 HA ALA 9 HA ALA 9 -8.435 8.364 -0.988 73 HB1 ALA 9 HB1 ALA 9 -5.962 8.653 -1.329 74 HB2 ALA 9 HB2 ALA 9 -6.259 9.099 -3.038 75 HB3 ALA 9 HB3 ALA 9 -6.875 10.166 -1.714 76 H ALA 10 HN ALA 10 -8.215 8.025 -4.572 77 HA ALA 10 HA ALA 10 -10.236 9.940 -5.097 78 HB1 ALA 10 HB1 ALA 10 -9.521 7.408 -6.736 79 HB2 ALA 10 HB2 ALA 10 -10.238 8.942 -7.355 80 HB3 ALA 10 HB3 ALA 10 -8.537 8.903 -6.752 81 H LYS 11 HN LYS 11 -10.451 6.378 -4.796 82 HA LYS 11 HA LYS 11 -13.167 6.302 -5.508 83 HB2 LYS 11 HB1 LYS 11 -11.570 4.464 -5.858 84 HB3 LYS 11 HB2 LYS 11 -11.420 4.193 -4.103 85 HG2 LYS 11 HG1 LYS 11 -14.163 4.050 -5.459 86 HG3 LYS 11 HG2 LYS 11 -13.026 2.687 -5.669 87 HD2 LYS 11 HD1 LYS 11 -13.006 2.125 -3.345 88 HD3 LYS 11 HD2 LYS 11 -13.645 3.717 -2.864 89 HE2 LYS 11 HE1 LYS 11 -15.849 3.082 -4.127 90 HE3 LYS 11 HE2 LYS 11 -15.218 1.384 -4.099 91 HZ1 LYS 11 HZ1 LYS 11 -16.534 1.762 -2.158 92 HZ2 LYS 11 HZ2 LYS 11 -15.718 3.206 -1.800 93 HZ3 LYS 11 HZ3 LYS 11 -14.912 1.742 -1.643 94 H PHE 12 HN PHE 12 -11.674 6.191 -2.227 95 HA PHE 12 HA PHE 12 -14.389 6.079 -1.074 96 HB2 PHE 12 HB1 PHE 12 -11.556 5.713 0.052 97 HB3 PHE 12 HB2 PHE 12 -12.944 6.054 1.142 98 HD1 PHE 12 HD1 PHE 12 -14.856 4.552 1.295 99 HD2 PHE 12 HD2 PHE 12 -11.331 3.492 -0.900 100 HE1 PHE 12 HE1 PHE 12 -15.466 2.162 1.492 101 HE2 PHE 12 HE2 PHE 12 -11.942 1.090 -0.723 102 HZ PHE 12 HZ PHE 12 -14.000 0.423 0.493 103 H GLY 13 HN GLY 13 -12.078 8.322 -2.090 104 HA2 GLY 13 HA1 GLY 13 -13.573 10.414 -0.620 105 HA3 GLY 13 HA2 GLY 13 -11.851 10.485 -1.124 106 HA PRO 14 HA PRO 14 -14.291 11.589 -4.998 107 HB2 PRO 14 HB1 PRO 14 -17.075 11.853 -4.805 108 HB3 PRO 14 HB2 PRO 14 -16.271 10.332 -5.351 109 HG2 PRO 14 HG1 PRO 14 -17.250 10.986 -2.518 110 HG3 PRO 14 HG2 PRO 14 -17.569 9.495 -3.497 111 HD2 PRO 14 HD1 PRO 14 -15.545 9.571 -1.620 112 HD3 PRO 14 HD2 PRO 14 -15.306 8.707 -3.201 113 H LYS 15 HN LYS 15 -15.410 12.202 -1.758 114 HA LYS 15 HA LYS 15 -15.511 15.021 -1.752 115 HB2 LYS 15 HB1 LYS 15 -14.606 12.962 0.349 116 HB3 LYS 15 HB2 LYS 15 -14.878 14.692 0.734 117 HG2 LYS 15 HG1 LYS 15 -17.200 14.500 0.690 118 HG3 LYS 15 HG2 LYS 15 -17.187 13.265 -0.585 119 HD2 LYS 15 HD1 LYS 15 -18.006 12.216 1.453 120 HD3 LYS 15 HD2 LYS 15 -16.459 11.505 0.941 121 HE2 LYS 15 HE1 LYS 15 -16.445 11.659 3.360 122 HE3 LYS 15 HE2 LYS 15 -15.238 12.843 2.732 123 HZ1 LYS 15 HZ1 LYS 15 -18.024 13.465 3.609 124 HZ2 LYS 15 HZ2 LYS 15 -16.890 14.589 3.036 125 HZ3 LYS 15 HZ3 LYS 15 -16.611 13.760 4.487 126 H LEU 16 HN LEU 16 -12.684 12.764 -1.275 127 HA LEU 16 HA LEU 16 -10.837 14.894 -0.843 128 HB2 LEU 16 HB1 LEU 16 -10.473 11.926 -1.512 129 HB3 LEU 16 HB2 LEU 16 -9.107 13.055 -1.484 130 HG LEU 16 HG LEU 16 -9.457 13.634 0.852 131 HD11 LEU 16 HD11 LEU 16 -11.614 11.426 0.922 132 HD12 LEU 16 HD12 LEU 16 -11.888 13.201 1.198 133 HD13 LEU 16 HD13 LEU 16 -10.881 12.249 2.342 134 HD21 LEU 16 HD21 LEU 16 -7.895 11.828 0.151 135 HD22 LEU 16 HD22 LEU 16 -9.218 10.612 0.283 136 HD23 LEU 16 HD23 LEU 16 -8.620 11.461 1.758 137 H PHE 17 HN PHE 17 -11.681 12.907 -3.726 138 HA PHE 17 HA PHE 17 -9.588 14.028 -5.202 139 HB2 PHE 17 HB1 PHE 17 -11.297 11.772 -5.454 140 HB3 PHE 17 HB2 PHE 17 -11.680 12.748 -6.905 141 HD1 PHE 17 HD1 PHE 17 -10.504 11.828 -8.705 142 HD2 PHE 17 HD2 PHE 17 -8.512 12.042 -4.904 143 HE1 PHE 17 HE1 PHE 17 -8.450 10.830 -9.708 144 HE2 PHE 17 HE2 PHE 17 -6.469 11.107 -5.915 145 HZ PHE 17 HZ PHE 17 -6.429 10.501 -8.306 146 H ABA 18 HN AGL 18 -12.645 15.444 -4.635 147 HA ABA 18 HA AGL 18 -12.585 17.146 -6.938 148 HB3 ABA 18 HB2 AGL 18 -13.999 18.693 -5.395 149 HB2 ABA 18 HB1 AGL 18 -13.875 17.408 -4.168 150 HG3 ABA 18 HG AGL 18 -15.283 15.895 -5.472 151 H LEU 19 HN LEU 19 -10.680 17.093 -3.982 152 HA LEU 19 HA LEU 19 -9.415 19.658 -4.752 153 HB2 LEU 19 HB1 LEU 19 -9.266 17.910 -2.220 154 HB3 LEU 19 HB2 LEU 19 -8.097 19.219 -2.576 155 HG LEU 19 HG LEU 19 -9.968 20.880 -2.629 156 HD11 LEU 19 HD11 LEU 19 -11.652 18.538 -1.520 157 HD12 LEU 19 HD12 LEU 19 -11.977 19.493 -3.019 158 HD13 LEU 19 HD13 LEU 19 -12.110 20.280 -1.414 159 HD21 LEU 19 HD21 LEU 19 -10.110 20.995 -0.146 160 HD22 LEU 19 HD22 LEU 19 -8.461 20.503 -0.666 161 HD23 LEU 19 HD23 LEU 19 -9.607 19.269 -0.023 162 H VAL 20 HN VAL 20 -8.581 16.294 -3.764 163 HA VAL 20 HA VAL 20 -5.891 16.490 -4.124 164 HB VAL 20 HB VAL 20 -7.689 14.042 -4.090 165 HG11 VAL 20 HG11 VAL 20 -4.600 14.230 -3.906 166 HG12 VAL 20 HG12 VAL 20 -5.567 12.785 -3.439 167 HG13 VAL 20 HG13 VAL 20 -5.543 13.328 -5.149 168 HG21 VAL 20 HG21 VAL 20 -7.696 15.503 -2.019 169 HG22 VAL 20 HG22 VAL 20 -6.847 13.944 -1.712 170 HG23 VAL 20 HG23 VAL 20 -5.896 15.444 -1.985 171 H THR 21 HN THR 21 -8.192 15.404 -6.681 172 HA THR 21 HA THR 21 -6.032 16.183 -8.490 173 HB THR 21 HB THR 21 -7.405 13.556 -9.102 174 HG1 THR 21 HG1 THR 21 -5.116 14.188 -7.644 175 HG21 THR 21 HG21 THR 21 -5.433 13.341 -10.674 176 HG22 THR 21 HG22 THR 21 -4.839 14.958 -10.171 177 HG23 THR 21 HG23 THR 21 -6.382 14.814 -11.092 178 H LYS 22 HN LYS 22 -8.280 17.407 -7.535 179 HA LYS 22 HA LYS 22 -10.289 18.237 -8.001 180 HB2 LYS 22 HB1 LYS 22 -10.022 20.140 -9.425 181 HB3 LYS 22 HB2 LYS 22 -8.551 19.870 -8.464 182 HG2 LYS 22 HG1 LYS 22 -7.226 19.212 -10.276 183 HG3 LYS 22 HG2 LYS 22 -8.585 18.664 -11.267 184 HD2 LYS 22 HD1 LYS 22 -7.742 21.571 -10.722 185 HD3 LYS 22 HD2 LYS 22 -7.614 20.672 -12.255 186 HE2 LYS 22 HE1 LYS 22 -10.182 21.729 -10.893 187 HE3 LYS 22 HE2 LYS 22 -9.469 22.239 -12.468 188 HZ1 LYS 22 HZ1 LYS 22 -9.974 20.049 -13.351 189 HZ2 LYS 22 HZ2 LYS 22 -11.383 20.745 -12.698 190 HZ3 LYS 22 HZ3 LYS 22 -10.572 19.539 -11.855 191 H LYS 23 HN LYS 23 -11.229 15.971 -8.757 192 HA LYS 23 HA LYS 23 -12.199 16.223 -11.527 193 HB2 LYS 23 HB1 LYS 23 -12.435 13.938 -9.517 194 HB3 LYS 23 HB2 LYS 23 -13.091 13.905 -11.184 195 HG2 LYS 23 HG1 LYS 23 -10.118 14.202 -10.445 196 HG3 LYS 23 HG2 LYS 23 -10.923 12.690 -10.980 197 HD2 LYS 23 HD1 LYS 23 -11.427 13.711 -13.212 198 HD3 LYS 23 HD2 LYS 23 -10.780 15.280 -12.664 199 HE2 LYS 23 HE1 LYS 23 -9.124 14.280 -14.107 200 HE3 LYS 23 HE2 LYS 23 -8.482 14.339 -12.419 201 HZ1 LYS 23 HZ1 LYS 23 -9.073 12.027 -12.170 202 HZ2 LYS 23 HZ2 LYS 23 -8.053 12.230 -13.514 203 HZ3 LYS 23 HZ3 LYS 23 -9.712 11.967 -13.742 204 H ABA 24 HN AGL 24 -13.129 17.819 -9.034 205 HA ABA 24 HA AGL 24 -15.994 17.614 -9.732 206 HB3 ABA 24 HB2 AGL 24 -16.391 19.146 -7.776 207 HB2 ABA 24 HB1 AGL 24 -14.637 19.128 -7.424 208 HG3 ABA 24 HG AGL 24 -16.491 16.598 -7.400 Start of MODEL 3 1 H1 PHE 1 HN PHE 1 1.188 4.926 -7.926 2 HA PHE 1 HA PHE 1 3.487 5.064 -6.240 3 HB2 PHE 1 HB1 PHE 1 2.716 7.155 -5.039 4 HB3 PHE 1 HB2 PHE 1 3.231 7.449 -6.738 5 HD1 PHE 1 HD1 PHE 1 1.529 7.841 -8.517 6 HD2 PHE 1 HD2 PHE 1 0.445 7.590 -4.373 7 HE1 PHE 1 HE1 PHE 1 -0.617 8.973 -9.013 8 HE2 PHE 1 HE2 PHE 1 -1.691 8.740 -4.858 9 HZ PHE 1 HZ PHE 1 -2.232 9.429 -7.180 10 H LEU 2 HN LEU 2 3.204 3.914 -4.464 11 HA LEU 2 HA LEU 2 2.288 2.630 -2.956 12 HB2 LEU 2 HB1 LEU 2 -0.243 4.294 -3.315 13 HB3 LEU 2 HB2 LEU 2 -0.216 2.860 -2.276 14 HG LEU 2 HG LEU 2 1.737 3.881 -0.985 15 HD11 LEU 2 HD11 LEU 2 1.889 6.393 -1.015 16 HD12 LEU 2 HD12 LEU 2 0.823 6.430 -2.468 17 HD13 LEU 2 HD13 LEU 2 2.463 5.679 -2.565 18 HD21 LEU 2 HD21 LEU 2 0.182 5.316 0.363 19 HD22 LEU 2 HD22 LEU 2 -0.581 3.759 -0.122 20 HD23 LEU 2 HD23 LEU 2 -1.008 5.284 -0.990 21 HA PRO 3 HA PRO 3 -0.152 -0.493 -5.205 22 HB2 PRO 3 HB1 PRO 3 -1.171 -2.047 -3.146 23 HB3 PRO 3 HB2 PRO 3 0.583 -2.069 -3.556 24 HG2 PRO 3 HG1 PRO 3 -0.761 -0.341 -1.394 25 HG3 PRO 3 HG2 PRO 3 0.611 -1.511 -1.181 26 HD2 PRO 3 HD1 PRO 3 1.036 1.181 -1.608 27 HD3 PRO 3 HD2 PRO 3 2.132 -0.059 -2.363 28 H ILE 4 HN ILE 4 -2.674 -1.364 -4.299 29 HA ILE 4 HA ILE 4 -4.285 0.459 -5.368 30 HB ILE 4 HB ILE 4 -6.210 -0.788 -4.477 31 HG12 ILE 4 HG11 ILE 4 -4.122 -2.409 -2.884 32 HG13 ILE 4 HG12 ILE 4 -5.281 -1.242 -2.167 33 HG21 ILE 4 HG21 ILE 4 -4.878 -1.470 -6.502 34 HG22 ILE 4 HG22 ILE 4 -3.879 -2.562 -5.468 35 HG23 ILE 4 HG23 ILE 4 -5.641 -2.860 -5.668 36 HD11 ILE 4 HD1 ILE 4 -6.047 -3.827 -3.676 37 HD12 ILE 4 HD2 ILE 4 -6.172 -3.522 -1.907 38 HD13 ILE 4 HD3 ILE 4 -7.211 -2.603 -3.051 39 H LEU 5 HN LEU 5 -3.400 0.665 -1.999 40 HA LEU 5 HA LEU 5 -5.415 2.027 -0.811 41 HB2 LEU 5 HB1 LEU 5 -2.423 2.645 -0.615 42 HB3 LEU 5 HB2 LEU 5 -3.656 2.986 0.641 43 HG LEU 5 HG LEU 5 -2.768 0.192 -0.324 44 HD11 LEU 5 HD11 LEU 5 -1.715 0.011 1.917 45 HD12 LEU 5 HD12 LEU 5 -2.220 1.693 2.305 46 HD13 LEU 5 HD13 LEU 5 -1.025 1.396 0.989 47 HD21 LEU 5 HD21 LEU 5 -5.138 0.090 0.415 48 HD22 LEU 5 HD22 LEU 5 -4.728 1.001 1.919 49 HD23 LEU 5 HD23 LEU 5 -4.073 -0.653 1.659 50 H ALA 6 HN ALA 6 -3.027 3.610 -3.037 51 HA ALA 6 HA ALA 6 -4.012 6.237 -2.669 52 HB1 ALA 6 HB1 ALA 6 -2.643 4.825 -5.055 53 HB2 ALA 6 HB2 ALA 6 -2.880 6.607 -4.935 54 HB3 ALA 6 HB3 ALA 6 -1.822 5.752 -3.759 55 H SER 7 HN SER 7 -4.925 3.672 -5.023 56 HA SER 7 HA SER 7 -6.960 5.134 -6.315 57 HB2 SER 7 HB1 SER 7 -6.795 2.080 -6.003 58 HB3 SER 7 HB2 SER 7 -7.662 2.985 -7.289 59 HG SER 7 HG1 SER 7 -5.652 3.595 -8.112 60 H LEU 8 HN LEU 8 -7.004 3.018 -3.421 61 HA LEU 8 HA LEU 8 -9.827 3.043 -3.138 62 HB2 LEU 8 HB1 LEU 8 -7.623 2.664 -1.050 63 HB3 LEU 8 HB2 LEU 8 -9.367 2.469 -0.701 64 HG LEU 8 HG LEU 8 -7.793 0.787 -2.730 65 HD11 LEU 8 HD11 LEU 8 -7.122 0.376 -0.347 66 HD12 LEU 8 HD12 LEU 8 -8.014 -1.034 -1.040 67 HD13 LEU 8 HD13 LEU 8 -8.847 0.097 0.088 68 HD21 LEU 8 HD21 LEU 8 -10.202 0.923 -3.372 69 HD22 LEU 8 HD22 LEU 8 -10.685 0.525 -1.675 70 HD23 LEU 8 HD23 LEU 8 -9.831 -0.698 -2.682 71 H ALA 9 HN ALA 9 -7.320 5.228 -1.774 72 HA ALA 9 HA ALA 9 -9.078 6.958 -0.470 73 HB1 ALA 9 HB1 ALA 9 -6.583 6.982 -0.207 74 HB2 ALA 9 HB2 ALA 9 -6.410 7.547 -1.904 75 HB3 ALA 9 HB3 ALA 9 -7.195 8.611 -0.674 76 H ALA 10 HN ALA 10 -7.986 6.904 -3.877 77 HA ALA 10 HA ALA 10 -9.448 9.096 -4.722 78 HB1 ALA 10 HB1 ALA 10 -9.100 8.092 -6.999 79 HB2 ALA 10 HB2 ALA 10 -7.623 7.828 -5.990 80 HB3 ALA 10 HB3 ALA 10 -8.783 6.487 -6.274 81 H LYS 11 HN LYS 11 -10.525 5.643 -4.820 82 HA LYS 11 HA LYS 11 -13.007 6.431 -6.045 83 HB2 LYS 11 HB1 LYS 11 -11.782 4.304 -6.490 84 HB3 LYS 11 HB2 LYS 11 -12.118 3.747 -4.835 85 HG2 LYS 11 HG1 LYS 11 -14.290 4.366 -6.965 86 HG3 LYS 11 HG2 LYS 11 -13.534 2.762 -6.710 87 HD2 LYS 11 HD1 LYS 11 -14.294 2.930 -4.247 88 HD3 LYS 11 HD2 LYS 11 -15.335 4.298 -4.767 89 HE2 LYS 11 HE1 LYS 11 -16.562 2.793 -6.356 90 HE3 LYS 11 HE2 LYS 11 -15.556 1.396 -5.781 91 HZ1 LYS 11 HZ1 LYS 11 -17.620 1.528 -4.548 92 HZ2 LYS 11 HZ2 LYS 11 -17.300 3.139 -4.106 93 HZ3 LYS 11 HZ3 LYS 11 -16.315 1.903 -3.524 94 H PHE 12 HN PHE 12 -12.124 5.343 -2.697 95 HA PHE 12 HA PHE 12 -14.963 5.522 -1.975 96 HB2 PHE 12 HB1 PHE 12 -12.474 4.391 -0.570 97 HB3 PHE 12 HB2 PHE 12 -14.016 4.662 0.309 98 HD1 PHE 12 HD1 PHE 12 -16.067 3.508 -0.306 99 HD2 PHE 12 HD2 PHE 12 -12.301 2.500 -2.085 100 HE1 PHE 12 HE1 PHE 12 -16.974 1.293 -0.940 101 HE2 PHE 12 HE2 PHE 12 -13.206 0.288 -2.756 102 HZ PHE 12 HZ PHE 12 -15.539 -0.326 -2.171 103 H GLY 13 HN GLY 13 -12.194 7.502 -1.960 104 HA2 GLY 13 HA1 GLY 13 -13.734 9.428 -0.328 105 HA3 GLY 13 HA2 GLY 13 -12.028 9.548 -0.875 106 HA PRO 14 HA PRO 14 -14.421 10.848 -4.679 107 HB2 PRO 14 HB1 PRO 14 -17.160 11.320 -4.597 108 HB3 PRO 14 HB2 PRO 14 -16.486 9.679 -4.939 109 HG2 PRO 14 HG1 PRO 14 -17.430 10.745 -2.214 110 HG3 PRO 14 HG2 PRO 14 -17.915 9.204 -3.037 111 HD2 PRO 14 HD1 PRO 14 -15.885 9.258 -1.153 112 HD3 PRO 14 HD2 PRO 14 -15.764 8.205 -2.631 113 H LYS 15 HN LYS 15 -15.226 11.724 -1.418 114 HA LYS 15 HA LYS 15 -15.100 14.558 -1.841 115 HB2 LYS 15 HB1 LYS 15 -16.010 13.368 0.279 116 HB3 LYS 15 HB2 LYS 15 -14.324 12.931 0.648 117 HG2 LYS 15 HG1 LYS 15 -14.478 14.777 1.955 118 HG3 LYS 15 HG2 LYS 15 -13.917 15.612 0.490 119 HD2 LYS 15 HD1 LYS 15 -16.836 15.301 1.469 120 HD3 LYS 15 HD2 LYS 15 -15.796 16.741 1.710 121 HE2 LYS 15 HE1 LYS 15 -15.719 17.124 -0.787 122 HE3 LYS 15 HE2 LYS 15 -16.812 15.701 -1.028 123 HZ1 LYS 15 HZ1 LYS 15 -18.456 16.803 0.354 124 HZ2 LYS 15 HZ2 LYS 15 -18.042 17.757 -0.986 125 HZ3 LYS 15 HZ3 LYS 15 -17.442 18.142 0.556 126 H LEU 16 HN LEU 16 -12.617 12.029 -1.074 127 HA LEU 16 HA LEU 16 -10.481 13.858 -0.921 128 HB2 LEU 16 HB1 LEU 16 -10.420 10.850 -1.459 129 HB3 LEU 16 HB2 LEU 16 -9.000 11.859 -1.065 130 HG LEU 16 HG LEU 16 -11.397 11.426 0.812 131 HD11 LEU 16 HD11 LEU 16 -8.551 10.236 0.866 132 HD12 LEU 16 HD12 LEU 16 -10.057 9.343 0.439 133 HD13 LEU 16 HD13 LEU 16 -9.832 9.989 2.107 134 HD21 LEU 16 HD21 LEU 16 -8.669 12.806 1.266 135 HD22 LEU 16 HD22 LEU 16 -9.875 12.434 2.545 136 HD23 LEU 16 HD23 LEU 16 -10.280 13.619 1.257 137 H PHE 17 HN PHE 17 -11.639 11.867 -3.703 138 HA PHE 17 HA PHE 17 -9.509 13.016 -5.307 139 HB2 PHE 17 HB1 PHE 17 -10.826 10.561 -5.241 140 HB3 PHE 17 HB2 PHE 17 -11.519 11.294 -6.717 141 HD1 PHE 17 HD1 PHE 17 -8.106 11.135 -5.014 142 HD2 PHE 17 HD2 PHE 17 -10.390 10.528 -8.593 143 HE1 PHE 17 HE1 PHE 17 -6.098 10.244 -6.134 144 HE2 PHE 17 HE2 PHE 17 -8.359 9.655 -9.735 145 HZ PHE 17 HZ PHE 17 -6.213 9.516 -8.506 146 H ABA 18 HN AGL 18 -12.092 14.511 -4.341 147 HA ABA 18 HA AGL 18 -11.881 16.151 -6.792 148 HB3 ABA 18 HB2 AGL 18 -14.021 17.298 -6.082 149 HB2 ABA 18 HB1 AGL 18 -14.199 16.098 -4.768 150 HG3 ABA 18 HG AGL 18 -14.731 14.300 -6.314 151 H LEU 19 HN LEU 19 -10.435 15.648 -3.997 152 HA LEU 19 HA LEU 19 -10.135 18.510 -3.363 153 HB2 LEU 19 HB1 LEU 19 -11.278 17.362 -1.489 154 HB3 LEU 19 HB2 LEU 19 -10.007 16.112 -1.446 155 HG LEU 19 HG LEU 19 -8.309 17.856 -0.803 156 HD11 LEU 19 HD11 LEU 19 -9.286 19.889 -1.832 157 HD12 LEU 19 HD12 LEU 19 -9.073 20.123 -0.065 158 HD13 LEU 19 HD13 LEU 19 -10.715 19.787 -0.732 159 HD21 LEU 19 HD21 LEU 19 -9.108 18.217 1.509 160 HD22 LEU 19 HD22 LEU 19 -9.489 16.549 0.948 161 HD23 LEU 19 HD23 LEU 19 -10.791 17.801 1.018 162 H VAL 20 HN VAL 20 -8.382 15.457 -2.672 163 HA VAL 20 HA VAL 20 -5.800 16.582 -2.800 164 HB VAL 20 HB VAL 20 -6.755 13.678 -3.043 165 HG11 VAL 20 HG11 VAL 20 -4.412 13.877 -3.884 166 HG12 VAL 20 HG12 VAL 20 -3.954 14.870 -2.453 167 HG13 VAL 20 HG13 VAL 20 -4.399 13.137 -2.250 168 HG21 VAL 20 HG21 VAL 20 -5.821 15.361 -0.619 169 HG22 VAL 20 HG22 VAL 20 -7.492 14.736 -0.897 170 HG23 VAL 20 HG23 VAL 20 -6.140 13.590 -0.592 171 H THR 21 HN THR 21 -7.808 14.807 -5.122 172 HA THR 21 HA THR 21 -5.919 15.586 -7.278 173 HB THR 21 HB THR 21 -7.675 13.109 -7.197 174 HG1 THR 21 HG1 THR 21 -5.786 12.049 -7.059 175 HG21 THR 21 HG21 THR 21 -6.444 12.502 -9.331 176 HG22 THR 21 HG22 THR 21 -5.666 14.128 -9.332 177 HG23 THR 21 HG23 THR 21 -7.459 13.965 -9.557 178 H LYS 22 HN LYS 22 -6.849 16.755 -8.964 179 HA LYS 22 HA LYS 22 -9.675 17.330 -8.830 180 HB2 LYS 22 HB1 LYS 22 -9.257 18.712 -10.843 181 HB3 LYS 22 HB2 LYS 22 -8.215 19.135 -9.465 182 HG2 LYS 22 HG1 LYS 22 -6.247 18.469 -10.468 183 HG3 LYS 22 HG2 LYS 22 -7.002 17.171 -11.433 184 HD2 LYS 22 HD1 LYS 22 -7.335 20.170 -12.036 185 HD3 LYS 22 HD2 LYS 22 -6.107 19.096 -12.787 186 HE2 LYS 22 HE1 LYS 22 -7.926 17.637 -13.743 187 HE3 LYS 22 HE2 LYS 22 -9.177 18.725 -13.035 188 HZ1 LYS 22 HZ1 LYS 22 -8.262 20.535 -14.363 189 HZ2 LYS 22 HZ2 LYS 22 -8.774 19.243 -15.327 190 HZ3 LYS 22 HZ3 LYS 22 -7.119 19.491 -15.055 191 H LYS 23 HN LYS 23 -10.289 14.838 -9.094 192 HA LYS 23 HA LYS 23 -10.673 14.403 -12.016 193 HB2 LYS 23 HB1 LYS 23 -10.829 12.578 -9.618 194 HB3 LYS 23 HB2 LYS 23 -11.787 12.189 -11.071 195 HG2 LYS 23 HG1 LYS 23 -8.751 12.655 -11.177 196 HG3 LYS 23 HG2 LYS 23 -9.537 11.054 -10.948 197 HD2 LYS 23 HD1 LYS 23 -10.805 11.354 -13.085 198 HD3 LYS 23 HD2 LYS 23 -9.912 12.878 -13.400 199 HE2 LYS 23 HE1 LYS 23 -7.741 11.625 -13.486 200 HE3 LYS 23 HE2 LYS 23 -8.594 10.090 -13.061 201 HZ1 LYS 23 HZ1 LYS 23 -9.858 10.275 -15.101 202 HZ2 LYS 23 HZ2 LYS 23 -8.198 10.285 -15.433 203 HZ3 LYS 23 HZ3 LYS 23 -9.086 11.724 -15.510 204 H ABA 24 HN AGL 24 -12.154 15.981 -9.462 205 HA ABA 24 HA AGL 24 -14.787 15.780 -10.753 206 HB3 ABA 24 HB2 AGL 24 -15.551 17.329 -8.941 207 HB2 ABA 24 HB1 AGL 24 -13.867 17.438 -8.331 208 HG3 ABA 24 HG AGL 24 -15.343 14.697 -8.574 Start of MODEL 4 1 H1 PHE 1 HN PHE 1 4.629 2.204 -6.921 2 HA PHE 1 HA PHE 1 5.379 4.473 -5.332 3 HB2 PHE 1 HB1 PHE 1 4.522 4.682 -7.716 4 HB3 PHE 1 HB2 PHE 1 2.941 4.007 -7.214 5 HD1 PHE 1 HD1 PHE 1 1.281 5.616 -6.851 6 HD2 PHE 1 HD2 PHE 1 5.377 6.705 -6.144 7 HE1 PHE 1 HE1 PHE 1 0.574 7.926 -6.305 8 HE2 PHE 1 HE2 PHE 1 4.670 9.009 -5.588 9 HZ PHE 1 HZ PHE 1 2.268 9.625 -5.673 10 H LEU 2 HN LEU 2 2.058 3.260 -5.683 11 HA LEU 2 HA LEU 2 1.986 2.332 -2.957 12 HB2 LEU 2 HB1 LEU 2 -0.073 4.322 -4.172 13 HB3 LEU 2 HB2 LEU 2 -0.424 3.257 -2.781 14 HG LEU 2 HG LEU 2 1.716 4.450 -1.708 15 HD11 LEU 2 HD11 LEU 2 2.260 5.896 -3.677 16 HD12 LEU 2 HD12 LEU 2 1.750 6.892 -2.269 17 HD13 LEU 2 HD13 LEU 2 0.601 6.602 -3.629 18 HD21 LEU 2 HD21 LEU 2 -0.560 4.393 -0.732 19 HD22 LEU 2 HD22 LEU 2 -1.115 5.675 -1.882 20 HD23 LEU 2 HD23 LEU 2 0.118 6.056 -0.623 21 HA PRO 3 HA PRO 3 -0.596 -0.150 -5.774 22 HB2 PRO 3 HB1 PRO 3 -1.555 -2.094 -4.121 23 HB3 PRO 3 HB2 PRO 3 0.214 -1.871 -4.297 24 HG2 PRO 3 HG1 PRO 3 -1.526 -0.721 -2.039 25 HG3 PRO 3 HG2 PRO 3 -0.035 -1.740 -1.890 26 HD2 PRO 3 HD1 PRO 3 -0.004 1.078 -1.871 27 HD3 PRO 3 HD2 PRO 3 1.377 0.074 -2.507 28 H ILE 4 HN ILE 4 -3.101 -1.208 -4.238 29 HA ILE 4 HA ILE 4 -4.962 0.467 -5.199 30 HB ILE 4 HB ILE 4 -6.607 -0.673 -3.785 31 HG12 ILE 4 HG11 ILE 4 -4.180 -2.087 -2.504 32 HG13 ILE 4 HG12 ILE 4 -5.206 -0.860 -1.691 33 HG21 ILE 4 HG21 ILE 4 -6.251 -2.863 -4.831 34 HG22 ILE 4 HG22 ILE 4 -5.712 -1.581 -5.961 35 HG23 ILE 4 HG23 ILE 4 -4.494 -2.548 -5.044 36 HD11 ILE 4 HD1 ILE 4 -5.948 -3.102 -1.004 37 HD12 ILE 4 HD2 ILE 4 -7.229 -2.347 -2.018 38 HD13 ILE 4 HD3 ILE 4 -6.158 -3.617 -2.714 39 H LEU 5 HN LEU 5 -3.328 1.133 -2.175 40 HA LEU 5 HA LEU 5 -5.338 2.394 -0.792 41 HB2 LEU 5 HB1 LEU 5 -2.368 3.133 -0.810 42 HB3 LEU 5 HB2 LEU 5 -3.536 3.449 0.514 43 HG LEU 5 HG LEU 5 -2.591 0.677 -0.456 44 HD11 LEU 5 HD11 LEU 5 -1.433 0.567 1.735 45 HD12 LEU 5 HD12 LEU 5 -1.991 2.230 2.132 46 HD13 LEU 5 HD13 LEU 5 -0.842 1.970 0.767 47 HD21 LEU 5 HD21 LEU 5 -3.766 -0.195 1.595 48 HD22 LEU 5 HD22 LEU 5 -4.917 0.481 0.391 49 HD23 LEU 5 HD23 LEU 5 -4.482 1.433 1.864 50 H ALA 6 HN ALA 6 -3.260 3.933 -3.292 51 HA ALA 6 HA ALA 6 -4.301 6.548 -2.966 52 HB1 ALA 6 HB1 ALA 6 -2.196 6.005 -4.225 53 HB2 ALA 6 HB2 ALA 6 -3.155 5.080 -5.432 54 HB3 ALA 6 HB3 ALA 6 -3.362 6.867 -5.292 55 H SER 7 HN SER 7 -5.360 3.785 -5.019 56 HA SER 7 HA SER 7 -7.563 5.096 -6.194 57 HB2 SER 7 HB1 SER 7 -7.233 2.081 -5.703 58 HB3 SER 7 HB2 SER 7 -8.277 2.860 -6.938 59 HG SER 7 HG1 SER 7 -6.475 3.366 -8.091 60 H LEU 8 HN LEU 8 -7.253 3.192 -3.173 61 HA LEU 8 HA LEU 8 -10.026 3.179 -2.607 62 HB2 LEU 8 HB1 LEU 8 -7.607 2.970 -0.752 63 HB3 LEU 8 HB2 LEU 8 -9.298 2.805 -0.187 64 HG LEU 8 HG LEU 8 -7.968 0.982 -2.268 65 HD11 LEU 8 HD11 LEU 8 -7.020 0.723 0.037 66 HD12 LEU 8 HD12 LEU 8 -7.992 -0.721 -0.444 67 HD13 LEU 8 HD13 LEU 8 -8.680 0.492 0.695 68 HD21 LEU 8 HD21 LEU 8 -9.978 -0.487 -1.887 69 HD22 LEU 8 HD22 LEU 8 -10.435 1.083 -2.636 70 HD23 LEU 8 HD23 LEU 8 -10.715 0.802 -0.869 71 H ALA 9 HN ALA 9 -7.474 5.542 -1.741 72 HA ALA 9 HA ALA 9 -9.161 7.338 -0.427 73 HB1 ALA 9 HB1 ALA 9 -6.660 7.513 -0.473 74 HB2 ALA 9 HB2 ALA 9 -6.722 7.909 -2.225 75 HB3 ALA 9 HB3 ALA 9 -7.434 9.047 -1.018 76 H ALA 10 HN ALA 10 -8.462 6.996 -3.942 77 HA ALA 10 HA ALA 10 -10.118 9.013 -4.839 78 HB1 ALA 10 HB1 ALA 10 -10.009 7.811 -7.003 79 HB2 ALA 10 HB2 ALA 10 -8.443 7.514 -6.147 80 HB3 ALA 10 HB3 ALA 10 -9.708 6.246 -6.204 81 H LYS 11 HN LYS 11 -11.021 5.584 -4.321 82 HA LYS 11 HA LYS 11 -13.669 6.013 -5.315 83 HB2 LYS 11 HB1 LYS 11 -12.429 3.923 -5.646 84 HB3 LYS 11 HB2 LYS 11 -12.361 3.618 -3.892 85 HG2 LYS 11 HG1 LYS 11 -15.071 3.936 -5.291 86 HG3 LYS 11 HG2 LYS 11 -14.157 2.412 -5.503 87 HD2 LYS 11 HD1 LYS 11 -14.188 1.892 -3.143 88 HD3 LYS 11 HD2 LYS 11 -14.747 3.531 -2.713 89 HE2 LYS 11 HE1 LYS 11 -16.938 3.032 -4.017 90 HE3 LYS 11 HE2 LYS 11 -16.411 1.299 -4.018 91 HZ1 LYS 11 HZ1 LYS 11 -17.748 1.704 -2.097 92 HZ2 LYS 11 HZ2 LYS 11 -16.857 3.086 -1.678 93 HZ3 LYS 11 HZ3 LYS 11 -16.142 1.571 -1.550 94 H PHE 12 HN PHE 12 -12.374 5.549 -1.961 95 HA PHE 12 HA PHE 12 -15.119 5.709 -0.946 96 HB2 PHE 12 HB1 PHE 12 -12.388 5.149 0.337 97 HB3 PHE 12 HB2 PHE 12 -13.813 5.576 1.346 98 HD1 PHE 12 HD1 PHE 12 -15.790 4.194 1.437 99 HD2 PHE 12 HD2 PHE 12 -12.314 2.950 -0.742 100 HE1 PHE 12 HE1 PHE 12 -16.591 1.854 1.516 101 HE2 PHE 12 HE2 PHE 12 -13.119 0.602 -0.687 102 HZ PHE 12 HZ PHE 12 -15.249 0.049 0.460 103 H GLY 13 HN GLY 13 -12.451 7.802 -1.570 104 HA2 GLY 13 HA1 GLY 13 -14.037 10.002 -0.395 105 HA3 GLY 13 HA2 GLY 13 -12.299 10.002 -0.849 106 HA PRO 14 HA PRO 14 -14.566 10.734 -4.910 107 HB2 PRO 14 HB1 PRO 14 -17.240 11.569 -4.766 108 HB3 PRO 14 HB2 PRO 14 -16.755 9.856 -5.054 109 HG2 PRO 14 HG1 PRO 14 -17.508 11.137 -2.372 110 HG3 PRO 14 HG2 PRO 14 -18.121 9.587 -3.085 111 HD2 PRO 14 HD1 PRO 14 -16.065 9.595 -1.242 112 HD3 PRO 14 HD2 PRO 14 -16.031 8.456 -2.658 113 H LYS 15 HN LYS 15 -15.356 12.167 -1.802 114 HA LYS 15 HA LYS 15 -14.835 14.877 -2.512 115 HB2 LYS 15 HB1 LYS 15 -14.245 13.430 0.157 116 HB3 LYS 15 HB2 LYS 15 -14.136 15.187 -0.132 117 HG2 LYS 15 HG1 LYS 15 -16.104 15.117 0.921 118 HG3 LYS 15 HG2 LYS 15 -16.678 15.079 -0.772 119 HD2 LYS 15 HD1 LYS 15 -17.112 12.665 -0.631 120 HD3 LYS 15 HD2 LYS 15 -16.271 12.524 0.940 121 HE2 LYS 15 HE1 LYS 15 -18.884 14.132 0.481 122 HE3 LYS 15 HE2 LYS 15 -18.810 12.438 1.108 123 HZ1 LYS 15 HZ1 LYS 15 -17.567 14.824 2.397 124 HZ2 LYS 15 HZ2 LYS 15 -17.504 13.235 2.976 125 HZ3 LYS 15 HZ3 LYS 15 -18.986 14.044 2.891 126 H LEU 16 HN LEU 16 -12.610 12.180 -1.482 127 HA LEU 16 HA LEU 16 -10.333 13.861 -1.495 128 HB2 LEU 16 HB1 LEU 16 -10.493 10.828 -1.606 129 HB3 LEU 16 HB2 LEU 16 -8.995 11.768 -1.357 130 HG LEU 16 HG LEU 16 -11.398 11.814 0.559 131 HD11 LEU 16 HD11 LEU 16 -9.963 10.417 2.042 132 HD12 LEU 16 HD12 LEU 16 -8.682 10.368 0.778 133 HD13 LEU 16 HD13 LEU 16 -10.271 9.576 0.475 134 HD21 LEU 16 HD21 LEU 16 -8.538 12.952 0.828 135 HD22 LEU 16 HD22 LEU 16 -9.768 12.902 2.137 136 HD23 LEU 16 HD23 LEU 16 -10.050 13.925 0.684 137 H PHE 17 HN PHE 17 -11.573 11.581 -4.068 138 HA PHE 17 HA PHE 17 -9.349 12.280 -5.688 139 HB2 PHE 17 HB1 PHE 17 -11.353 10.339 -5.905 140 HB3 PHE 17 HB2 PHE 17 -11.807 11.454 -7.225 141 HD1 PHE 17 HD1 PHE 17 -11.137 10.270 -9.164 142 HD2 PHE 17 HD2 PHE 17 -8.385 10.415 -5.865 143 HE1 PHE 17 HE1 PHE 17 -9.446 9.035 -10.494 144 HE2 PHE 17 HE2 PHE 17 -6.707 9.216 -7.209 145 HZ PHE 17 HZ PHE 17 -7.222 8.541 -9.528 146 H ABA 18 HN AGL 18 -12.499 13.880 -5.337 147 HA ABA 18 HA AGL 18 -11.960 15.797 -7.365 148 HB3 ABA 18 HB2 AGL 18 -13.599 17.245 -5.906 149 HB2 ABA 18 HB1 AGL 18 -13.771 15.788 -4.898 150 HG3 ABA 18 HG AGL 18 -14.919 14.576 -6.693 151 H LEU 19 HN LEU 19 -11.103 15.820 -3.842 152 HA LEU 19 HA LEU 19 -9.879 18.419 -4.242 153 HB2 LEU 19 HB1 LEU 19 -10.487 16.651 -1.875 154 HB3 LEU 19 HB2 LEU 19 -9.170 17.845 -1.696 155 HG LEU 19 HG LEU 19 -11.283 18.690 -0.835 156 HD11 LEU 19 HD11 LEU 19 -9.512 20.244 -1.689 157 HD12 LEU 19 HD12 LEU 19 -11.171 20.936 -1.833 158 HD13 LEU 19 HD13 LEU 19 -10.335 20.296 -3.292 159 HD21 LEU 19 HD21 LEU 19 -12.898 17.612 -2.429 160 HD22 LEU 19 HD22 LEU 19 -12.341 18.731 -3.731 161 HD23 LEU 19 HD23 LEU 19 -13.157 19.393 -2.270 162 H VAL 20 HN VAL 20 -8.497 15.207 -3.254 163 HA VAL 20 HA VAL 20 -5.855 16.264 -3.105 164 HB VAL 20 HB VAL 20 -6.823 13.362 -3.204 165 HG11 VAL 20 HG11 VAL 20 -4.111 14.609 -2.369 166 HG12 VAL 20 HG12 VAL 20 -4.592 12.898 -2.086 167 HG13 VAL 20 HG13 VAL 20 -4.395 13.502 -3.764 168 HG21 VAL 20 HG21 VAL 20 -6.515 13.481 -0.702 169 HG22 VAL 20 HG22 VAL 20 -6.164 15.239 -0.830 170 HG23 VAL 20 HG23 VAL 20 -7.803 14.608 -1.256 171 H THR 21 HN THR 21 -7.559 14.184 -5.483 172 HA THR 21 HA THR 21 -5.176 14.356 -7.197 173 HB THR 21 HB THR 21 -7.602 12.627 -7.659 174 HG1 THR 21 HG1 THR 21 -6.385 11.092 -6.542 175 HG21 THR 21 HG21 THR 21 -5.933 12.788 -9.586 176 HG22 THR 21 HG22 THR 21 -5.783 11.192 -8.786 177 HG23 THR 21 HG23 THR 21 -4.589 12.495 -8.428 178 H LYS 22 HN LYS 22 -7.882 16.151 -6.794 179 HA LYS 22 HA LYS 22 -9.023 17.621 -7.981 180 HB2 LYS 22 HB1 LYS 22 -6.468 18.132 -8.184 181 HB3 LYS 22 HB2 LYS 22 -6.703 17.861 -9.922 182 HG2 LYS 22 HG1 LYS 22 -8.242 19.846 -8.100 183 HG3 LYS 22 HG2 LYS 22 -6.795 20.297 -9.026 184 HD2 LYS 22 HD1 LYS 22 -9.529 19.437 -10.186 185 HD3 LYS 22 HD2 LYS 22 -8.945 21.108 -10.049 186 HE2 LYS 22 HE1 LYS 22 -7.734 18.901 -11.874 187 HE3 LYS 22 HE2 LYS 22 -8.768 20.287 -12.386 188 HZ1 LYS 22 HZ1 LYS 22 -6.103 20.452 -11.089 189 HZ2 LYS 22 HZ2 LYS 22 -7.047 21.778 -11.579 190 HZ3 LYS 22 HZ3 LYS 22 -6.428 20.699 -12.738 191 H LYS 23 HN LYS 23 -10.090 15.193 -8.763 192 HA LYS 23 HA LYS 23 -10.439 15.538 -11.692 193 HB2 LYS 23 HB1 LYS 23 -11.020 13.107 -9.958 194 HB3 LYS 23 HB2 LYS 23 -11.434 13.280 -11.691 195 HG2 LYS 23 HG1 LYS 23 -8.810 13.965 -11.897 196 HG3 LYS 23 HG2 LYS 23 -8.699 13.072 -10.368 197 HD2 LYS 23 HD1 LYS 23 -8.189 11.477 -12.104 198 HD3 LYS 23 HD2 LYS 23 -9.813 11.078 -11.476 199 HE2 LYS 23 HE1 LYS 23 -9.739 10.824 -13.945 200 HE3 LYS 23 HE2 LYS 23 -10.904 12.119 -13.475 201 HZ1 LYS 23 HZ1 LYS 23 -8.101 12.540 -14.404 202 HZ2 LYS 23 HZ2 LYS 23 -9.199 13.749 -13.952 203 HZ3 LYS 23 HZ3 LYS 23 -9.511 12.787 -15.315 204 H ABA 24 HN AGL 24 -11.810 17.042 -9.335 205 HA ABA 24 HA AGL 24 -14.455 16.928 -10.665 206 HB3 ABA 24 HB2 AGL 24 -15.345 18.191 -8.666 207 HB2 ABA 24 HB1 AGL 24 -13.745 18.024 -7.887 208 HG3 ABA 24 HG AGL 24 -15.616 15.641 -8.716 Start of MODEL 5 1 H1 PHE 1 HN PHE 1 2.070 0.531 1.310 2 HA PHE 1 HA PHE 1 3.134 0.946 -0.984 3 HB2 PHE 1 HB1 PHE 1 4.375 -1.302 -0.978 4 HB3 PHE 1 HB2 PHE 1 4.402 -0.415 0.583 5 HD1 PHE 1 HD1 PHE 1 3.251 -1.247 2.536 6 HD2 PHE 1 HD2 PHE 1 3.012 -3.367 -1.190 7 HE1 PHE 1 HE1 PHE 1 2.345 -3.217 3.720 8 HE2 PHE 1 HE2 PHE 1 2.101 -5.346 -0.001 9 HZ PHE 1 HZ PHE 1 1.766 -5.268 2.456 10 H LEU 2 HN LEU 2 0.690 -1.646 -0.720 11 HA LEU 2 HA LEU 2 0.418 -2.511 -3.138 12 HB2 LEU 2 HB1 LEU 2 -1.894 -1.522 -1.405 13 HB3 LEU 2 HB2 LEU 2 -2.054 -2.717 -2.737 14 HG LEU 2 HG LEU 2 -0.379 -3.150 -0.194 15 HD11 LEU 2 HD11 LEU 2 -2.818 -2.983 0.299 16 HD12 LEU 2 HD12 LEU 2 -2.208 -4.662 0.518 17 HD13 LEU 2 HD13 LEU 2 -3.165 -4.236 -0.951 18 HD21 LEU 2 HD21 LEU 2 -1.215 -5.105 -2.440 19 HD22 LEU 2 HD22 LEU 2 -0.374 -5.545 -0.909 20 HD23 LEU 2 HD23 LEU 2 0.465 -4.510 -2.116 21 HA PRO 3 HA PRO 3 -0.375 0.848 -5.807 22 HB2 PRO 3 HB1 PRO 3 -1.362 -0.386 -8.133 23 HB3 PRO 3 HB2 PRO 3 0.332 -0.600 -7.549 24 HG2 PRO 3 HG1 PRO 3 -2.055 -2.466 -7.028 25 HG3 PRO 3 HG2 PRO 3 -0.414 -2.910 -7.656 26 HD2 PRO 3 HD1 PRO 3 -1.008 -3.158 -4.979 27 HD3 PRO 3 HD2 PRO 3 0.610 -2.502 -5.498 28 H ILE 4 HN ILE 4 -3.057 -1.329 -5.209 29 HA ILE 4 HA ILE 4 -5.203 0.131 -6.117 30 HB ILE 4 HB ILE 4 -6.595 -1.139 -4.556 31 HG12 ILE 4 HG11 ILE 4 -3.941 -2.346 -3.555 32 HG13 ILE 4 HG12 ILE 4 -4.966 -1.208 -2.618 33 HG21 ILE 4 HG21 ILE 4 -5.855 -1.978 -6.816 34 HG22 ILE 4 HG22 ILE 4 -4.462 -2.824 -6.036 35 HG23 ILE 4 HG23 ILE 4 -6.151 -3.301 -5.641 36 HD11 ILE 4 HD1 ILE 4 -5.787 -4.041 -3.560 37 HD12 ILE 4 HD2 ILE 4 -5.425 -3.515 -1.880 38 HD13 ILE 4 HD3 ILE 4 -6.877 -2.874 -2.726 39 H LEU 5 HN LEU 5 -3.205 1.100 -3.473 40 HA LEU 5 HA LEU 5 -5.116 2.467 -1.949 41 HB2 LEU 5 HB1 LEU 5 -2.148 3.080 -2.374 42 HB3 LEU 5 HB2 LEU 5 -3.168 3.701 -1.033 43 HG LEU 5 HG LEU 5 -2.440 0.754 -1.565 44 HD11 LEU 5 HD11 LEU 5 -1.094 0.966 0.517 45 HD12 LEU 5 HD12 LEU 5 -1.517 2.715 0.622 46 HD13 LEU 5 HD13 LEU 5 -0.533 2.101 -0.762 47 HD21 LEU 5 HD21 LEU 5 -4.665 0.794 -0.507 48 HD22 LEU 5 HD22 LEU 5 -4.093 1.989 0.726 49 HD23 LEU 5 HD23 LEU 5 -3.436 0.313 0.711 50 H ALA 6 HN ALA 6 -3.424 3.431 -4.928 51 HA ALA 6 HA ALA 6 -4.338 6.100 -5.030 52 HB1 ALA 6 HB1 ALA 6 -3.753 4.019 -7.248 53 HB2 ALA 6 HB2 ALA 6 -3.883 5.797 -7.517 54 HB3 ALA 6 HB3 ALA 6 -2.542 5.126 -6.519 55 H SER 7 HN SER 7 -5.829 3.011 -6.187 56 HA SER 7 HA SER 7 -8.148 4.161 -7.267 57 HB2 SER 7 HB1 SER 7 -7.924 1.376 -5.992 58 HB3 SER 7 HB2 SER 7 -9.138 1.911 -7.200 59 HG SER 7 HG1 SER 7 -7.534 1.953 -8.734 60 H LEU 8 HN LEU 8 -7.481 2.921 -3.947 61 HA LEU 8 HA LEU 8 -10.068 3.412 -2.955 62 HB2 LEU 8 HB1 LEU 8 -7.392 3.380 -1.470 63 HB3 LEU 8 HB2 LEU 8 -9.000 3.370 -0.681 64 HG LEU 8 HG LEU 8 -7.888 1.159 -2.504 65 HD11 LEU 8 HD11 LEU 8 -8.353 1.214 0.544 66 HD12 LEU 8 HD12 LEU 8 -6.753 1.360 -0.268 67 HD13 LEU 8 HD13 LEU 8 -7.708 -0.165 -0.419 68 HD21 LEU 8 HD21 LEU 8 -9.829 -0.200 -1.709 69 HD22 LEU 8 HD22 LEU 8 -10.383 1.220 -2.666 70 HD23 LEU 8 HD23 LEU 8 -10.496 1.234 -0.858 71 H ALA 9 HN ALA 9 -7.183 5.539 -3.030 72 HA ALA 9 HA ALA 9 -8.307 7.734 -1.760 73 HB1 ALA 9 HB1 ALA 9 -5.867 7.432 -2.279 74 HB2 ALA 9 HB2 ALA 9 -6.223 7.603 -4.030 75 HB3 ALA 9 HB3 ALA 9 -6.473 9.004 -2.920 76 H ALA 10 HN ALA 10 -8.407 6.849 -5.265 77 HA ALA 10 HA ALA 10 -9.946 9.083 -6.029 78 HB1 ALA 10 HB1 ALA 10 -10.365 7.671 -8.092 79 HB2 ALA 10 HB2 ALA 10 -8.633 7.664 -7.596 80 HB3 ALA 10 HB3 ALA 10 -9.680 6.249 -7.219 81 H LYS 11 HN LYS 11 -11.005 5.741 -5.203 82 HA LYS 11 HA LYS 11 -13.735 6.275 -5.798 83 HB2 LYS 11 HB1 LYS 11 -12.834 4.033 -6.118 84 HB3 LYS 11 HB2 LYS 11 -12.213 3.998 -4.446 85 HG2 LYS 11 HG1 LYS 11 -14.075 2.488 -4.589 86 HG3 LYS 11 HG2 LYS 11 -14.503 3.850 -3.521 87 HD2 LYS 11 HD1 LYS 11 -15.656 4.901 -5.654 88 HD3 LYS 11 HD2 LYS 11 -15.525 3.270 -6.366 89 HE2 LYS 11 HE1 LYS 11 -17.038 4.153 -3.799 90 HE3 LYS 11 HE2 LYS 11 -17.769 3.564 -5.344 91 HZ1 LYS 11 HZ1 LYS 11 -16.655 1.427 -4.932 92 HZ2 LYS 11 HZ2 LYS 11 -17.744 1.835 -3.692 93 HZ3 LYS 11 HZ3 LYS 11 -16.074 2.018 -3.451 94 H PHE 12 HN PHE 12 -12.038 5.930 -2.625 95 HA PHE 12 HA PHE 12 -14.636 6.476 -1.316 96 HB2 PHE 12 HB1 PHE 12 -12.024 5.206 -0.289 97 HB3 PHE 12 HB2 PHE 12 -13.450 5.578 0.749 98 HD1 PHE 12 HD1 PHE 12 -15.738 4.622 0.007 99 HD2 PHE 12 HD2 PHE 12 -11.957 3.095 -1.314 100 HE1 PHE 12 HE1 PHE 12 -16.788 2.426 -0.426 101 HE2 PHE 12 HE2 PHE 12 -13.000 0.889 -1.763 102 HZ PHE 12 HZ PHE 12 -15.412 0.542 -1.297 103 H GLY 13 HN GLY 13 -11.685 7.928 -2.175 104 HA2 GLY 13 HA1 GLY 13 -12.373 10.209 -0.416 105 HA3 GLY 13 HA2 GLY 13 -10.824 9.919 -1.273 106 HA PRO 14 HA PRO 14 -13.354 11.407 -4.858 107 HB2 PRO 14 HB1 PRO 14 -16.032 12.142 -4.725 108 HB3 PRO 14 HB2 PRO 14 -15.490 10.451 -5.048 109 HG2 PRO 14 HG1 PRO 14 -16.290 11.636 -2.330 110 HG3 PRO 14 HG2 PRO 14 -16.892 10.110 -3.104 111 HD2 PRO 14 HD1 PRO 14 -14.824 10.043 -1.267 112 HD3 PRO 14 HD2 PRO 14 -14.796 8.985 -2.748 113 H LYS 15 HN LYS 15 -14.004 12.651 -1.653 114 HA LYS 15 HA LYS 15 -13.822 15.427 -2.276 115 HB2 LYS 15 HB1 LYS 15 -12.791 13.978 0.256 116 HB3 LYS 15 HB2 LYS 15 -12.970 15.737 0.036 117 HG2 LYS 15 HG1 LYS 15 -14.788 15.358 1.269 118 HG3 LYS 15 HG2 LYS 15 -15.536 15.231 -0.348 119 HD2 LYS 15 HD1 LYS 15 -15.623 12.803 -0.206 120 HD3 LYS 15 HD2 LYS 15 -14.493 12.744 1.176 121 HE2 LYS 15 HE1 LYS 15 -17.341 13.960 1.313 122 HE3 LYS 15 HE2 LYS 15 -16.919 12.268 1.793 123 HZ1 LYS 15 HZ1 LYS 15 -16.964 13.767 3.683 124 HZ2 LYS 15 HZ2 LYS 15 -15.764 14.742 2.997 125 HZ3 LYS 15 HZ3 LYS 15 -15.409 13.150 3.447 126 H LEU 16 HN LEU 16 -11.291 12.931 -1.514 127 HA LEU 16 HA LEU 16 -9.125 14.757 -1.771 128 HB2 LEU 16 HB1 LEU 16 -9.234 11.684 -1.919 129 HB3 LEU 16 HB2 LEU 16 -7.725 12.635 -1.999 130 HG LEU 16 HG LEU 16 -9.631 12.603 0.402 131 HD11 LEU 16 HD11 LEU 16 -6.857 11.321 -0.043 132 HD12 LEU 16 HD12 LEU 16 -8.421 10.431 0.032 133 HD13 LEU 16 HD13 LEU 16 -7.795 11.293 1.491 134 HD21 LEU 16 HD21 LEU 16 -7.707 13.763 1.572 135 HD22 LEU 16 HD22 LEU 16 -8.421 14.783 0.275 136 HD23 LEU 16 HD23 LEU 16 -6.863 13.919 -0.007 137 H PHE 17 HN PHE 17 -10.633 12.407 -3.990 138 HA PHE 17 HA PHE 17 -8.851 12.765 -6.026 139 HB2 PHE 17 HB1 PHE 17 -10.735 10.988 -5.701 140 HB3 PHE 17 HB2 PHE 17 -11.841 12.164 -6.475 141 HD1 PHE 17 HD1 PHE 17 -8.335 12.034 -7.873 142 HD2 PHE 17 HD2 PHE 17 -12.275 10.284 -7.996 143 HE1 PHE 17 HE1 PHE 17 -7.790 10.961 -9.985 144 HE2 PHE 17 HE2 PHE 17 -11.703 9.197 -10.146 145 HZ PHE 17 HZ PHE 17 -9.448 9.518 -11.137 146 H ABA 18 HN AGL 18 -11.843 14.680 -5.430 147 HA ABA 18 HA AGL 18 -11.509 16.378 -7.676 148 HB3 ABA 18 HB2 AGL 18 -13.103 17.926 -6.339 149 HB2 ABA 18 HB1 AGL 18 -13.102 16.665 -5.082 150 HG3 ABA 18 HG AGL 18 -14.186 15.024 -6.624 151 H LEU 19 HN LEU 19 -10.346 16.843 -4.251 152 HA LEU 19 HA LEU 19 -9.372 19.482 -4.873 153 HB2 LEU 19 HB1 LEU 19 -9.154 17.590 -2.522 154 HB3 LEU 19 HB2 LEU 19 -7.937 18.893 -2.677 155 HG LEU 19 HG LEU 19 -9.718 20.610 -2.821 156 HD11 LEU 19 HD11 LEU 19 -11.670 19.231 -3.569 157 HD12 LEU 19 HD12 LEU 19 -12.027 20.101 -2.035 158 HD13 LEU 19 HD13 LEU 19 -11.635 18.338 -2.001 159 HD21 LEU 19 HD21 LEU 19 -10.186 20.604 -0.376 160 HD22 LEU 19 HD22 LEU 19 -8.497 20.082 -0.715 161 HD23 LEU 19 HD23 LEU 19 -9.747 18.854 -0.286 162 H VAL 20 HN VAL 20 -7.786 16.230 -4.719 163 HA VAL 20 HA VAL 20 -5.245 17.282 -5.402 164 HB VAL 20 HB VAL 20 -6.283 14.430 -5.540 165 HG11 VAL 20 HG11 VAL 20 -3.788 13.863 -5.534 166 HG12 VAL 20 HG12 VAL 20 -4.285 14.693 -7.047 167 HG13 VAL 20 HG13 VAL 20 -3.419 15.609 -5.763 168 HG21 VAL 20 HG21 VAL 20 -4.578 15.990 -3.468 169 HG22 VAL 20 HG22 VAL 20 -6.270 15.421 -3.217 170 HG23 VAL 20 HG23 VAL 20 -4.936 14.227 -3.399 171 H THR 21 HN THR 21 -7.946 15.956 -7.396 172 HA THR 21 HA THR 21 -6.494 17.025 -9.717 173 HB THR 21 HB THR 21 -6.925 15.226 -11.176 174 HG1 THR 21 HG1 THR 21 -8.483 14.218 -9.074 175 HG21 THR 21 HG21 THR 21 -5.639 13.363 -10.222 176 HG22 THR 21 HG22 THR 21 -5.942 13.942 -8.549 177 HG23 THR 21 HG23 THR 21 -4.921 14.922 -9.663 178 H LYS 22 HN LYS 22 -7.787 17.866 -11.471 179 HA LYS 22 HA LYS 22 -10.503 18.410 -10.647 180 HB2 LYS 22 HB1 LYS 22 -9.118 20.003 -12.030 181 HB3 LYS 22 HB2 LYS 22 -9.348 18.897 -13.418 182 HG2 LYS 22 HG1 LYS 22 -11.917 19.110 -12.968 183 HG3 LYS 22 HG2 LYS 22 -11.502 20.407 -11.798 184 HD2 LYS 22 HD1 LYS 22 -10.327 21.643 -13.714 185 HD3 LYS 22 HD2 LYS 22 -10.933 20.399 -14.839 186 HE2 LYS 22 HE1 LYS 22 -12.615 22.373 -13.127 187 HE3 LYS 22 HE2 LYS 22 -12.401 22.396 -14.918 188 HZ1 LYS 22 HZ1 LYS 22 -13.473 20.179 -14.952 189 HZ2 LYS 22 HZ2 LYS 22 -14.485 21.407 -14.368 190 HZ3 LYS 22 HZ3 LYS 22 -13.785 20.311 -13.294 191 H LYS 23 HN LYS 23 -11.165 16.125 -10.351 192 HA LYS 23 HA LYS 23 -12.548 15.287 -12.851 193 HB2 LYS 23 HB1 LYS 23 -12.347 13.958 -10.102 194 HB3 LYS 23 HB2 LYS 23 -13.250 13.275 -11.488 195 HG2 LYS 23 HG1 LYS 23 -10.211 13.853 -11.642 196 HG3 LYS 23 HG2 LYS 23 -10.873 12.412 -10.857 197 HD2 LYS 23 HD1 LYS 23 -10.275 11.726 -13.045 198 HD3 LYS 23 HD2 LYS 23 -12.049 11.697 -12.913 199 HE2 LYS 23 HE1 LYS 23 -11.260 12.483 -15.149 200 HE3 LYS 23 HE2 LYS 23 -12.244 13.749 -14.327 201 HZ1 LYS 23 HZ1 LYS 23 -10.350 14.993 -13.864 202 HZ2 LYS 23 HZ2 LYS 23 -10.070 14.424 -15.428 203 HZ3 LYS 23 HZ3 LYS 23 -9.288 13.694 -14.108 204 H ABA 24 HN AGL 24 -12.814 17.388 -10.280 205 HA ABA 24 HA AGL 24 -15.772 17.327 -10.401 206 HB3 ABA 24 HB2 AGL 24 -15.694 18.499 -8.183 207 HB2 ABA 24 HB1 AGL 24 -13.902 18.485 -8.251 208 HG3 ABA 24 HG AGL 24 -15.566 15.847 -8.373 Start of MODEL 6 1 H1 PHE 1 HN PHE 1 4.956 1.499 -6.712 2 HA PHE 1 HA PHE 1 4.391 4.226 -6.624 3 HB2 PHE 1 HB1 PHE 1 3.349 3.589 -8.896 4 HB3 PHE 1 HB2 PHE 1 2.301 2.416 -8.029 5 HD1 PHE 1 HD1 PHE 1 0.147 3.171 -7.570 6 HD2 PHE 1 HD2 PHE 1 3.301 6.075 -7.800 7 HE1 PHE 1 HE1 PHE 1 -1.493 4.976 -7.159 8 HE2 PHE 1 HE2 PHE 1 1.665 7.885 -7.372 9 HZ PHE 1 HZ PHE 1 -0.733 7.340 -7.045 10 H LEU 2 HN LEU 2 2.254 4.452 -5.237 11 HA LEU 2 HA LEU 2 2.047 2.815 -3.018 12 HB2 LEU 2 HB1 LEU 2 0.010 4.528 -4.557 13 HB3 LEU 2 HB2 LEU 2 -0.454 3.651 -3.078 14 HG LEU 2 HG LEU 2 -0.097 5.924 -2.532 15 HD11 LEU 2 HD11 LEU 2 1.485 5.743 -0.658 16 HD12 LEU 2 HD12 LEU 2 2.263 4.301 -1.397 17 HD13 LEU 2 HD13 LEU 2 0.550 4.214 -0.830 18 HD21 LEU 2 HD21 LEU 2 2.829 5.773 -3.462 19 HD22 LEU 2 HD22 LEU 2 1.981 7.176 -2.727 20 HD23 LEU 2 HD23 LEU 2 1.486 6.588 -4.358 21 HA PRO 3 HA PRO 3 -0.546 -0.415 -4.846 22 HB2 PRO 3 HB1 PRO 3 -1.497 -1.709 -2.617 23 HB3 PRO 3 HB2 PRO 3 0.268 -1.646 -2.953 24 HG2 PRO 3 HG1 PRO 3 -1.298 0.245 -1.104 25 HG3 PRO 3 HG2 PRO 3 0.157 -0.757 -0.692 26 HD2 PRO 3 HD1 PRO 3 0.319 1.905 -1.537 27 HD3 PRO 3 HD2 PRO 3 1.600 0.678 -1.959 28 H ILE 4 HN ILE 4 -3.027 -1.170 -3.693 29 HA ILE 4 HA ILE 4 -4.795 0.458 -4.860 30 HB ILE 4 HB ILE 4 -6.572 -0.722 -3.621 31 HG12 ILE 4 HG11 ILE 4 -4.250 -2.085 -2.107 32 HG13 ILE 4 HG12 ILE 4 -5.382 -0.890 -1.395 33 HG21 ILE 4 HG21 ILE 4 -6.047 -2.898 -4.635 34 HG22 ILE 4 HG22 ILE 4 -5.444 -1.588 -5.699 35 HG23 ILE 4 HG23 ILE 4 -4.289 -2.523 -4.676 36 HD11 ILE 4 HD1 ILE 4 -6.164 -3.659 -2.526 37 HD12 ILE 4 HD2 ILE 4 -6.117 -3.163 -0.798 38 HD13 ILE 4 HD3 ILE 4 -7.323 -2.424 -1.910 39 H LEU 5 HN LEU 5 -3.573 1.113 -1.653 40 HA LEU 5 HA LEU 5 -5.660 2.469 -0.514 41 HB2 LEU 5 HB1 LEU 5 -2.681 3.161 -0.319 42 HB3 LEU 5 HB2 LEU 5 -3.945 3.555 0.890 43 HG LEU 5 HG LEU 5 -3.007 0.716 0.119 44 HD11 LEU 5 HD11 LEU 5 -2.503 2.378 2.660 45 HD12 LEU 5 HD12 LEU 5 -1.288 2.016 1.377 46 HD13 LEU 5 HD13 LEU 5 -1.980 0.681 2.373 47 HD21 LEU 5 HD21 LEU 5 -4.312 -0.015 2.141 48 HD22 LEU 5 HD22 LEU 5 -5.368 0.611 0.829 49 HD23 LEU 5 HD23 LEU 5 -5.010 1.636 2.276 50 H ALA 6 HN ALA 6 -3.373 3.847 -2.927 51 HA ALA 6 HA ALA 6 -4.358 6.504 -2.784 52 HB1 ALA 6 HB1 ALA 6 -3.091 4.895 -5.098 53 HB2 ALA 6 HB2 ALA 6 -3.270 6.692 -5.065 54 HB3 ALA 6 HB3 ALA 6 -2.194 5.868 -3.880 55 H SER 7 HN SER 7 -5.359 3.688 -4.806 56 HA SER 7 HA SER 7 -7.459 5.017 -6.147 57 HB2 SER 7 HB1 SER 7 -7.221 2.013 -5.538 58 HB3 SER 7 HB2 SER 7 -8.193 2.766 -6.845 59 HG SER 7 HG1 SER 7 -6.366 3.101 -7.965 60 H LEU 8 HN LEU 8 -7.361 3.182 -3.064 61 HA LEU 8 HA LEU 8 -10.157 3.239 -2.645 62 HB2 LEU 8 HB1 LEU 8 -7.862 3.064 -0.634 63 HB3 LEU 8 HB2 LEU 8 -9.587 2.919 -0.185 64 HG LEU 8 HG LEU 8 -8.107 1.030 -2.100 65 HD11 LEU 8 HD11 LEU 8 -9.092 0.617 0.798 66 HD12 LEU 8 HD12 LEU 8 -7.381 0.862 0.304 67 HD13 LEU 8 HD13 LEU 8 -8.277 -0.612 -0.236 68 HD21 LEU 8 HD21 LEU 8 -10.966 0.903 -0.938 69 HD22 LEU 8 HD22 LEU 8 -10.152 -0.422 -1.843 70 HD23 LEU 8 HD23 LEU 8 -10.535 1.124 -2.681 71 H ALA 9 HN ALA 9 -7.626 5.604 -1.767 72 HA ALA 9 HA ALA 9 -9.311 7.465 -0.568 73 HB1 ALA 9 HB1 ALA 9 -6.807 7.603 -0.579 74 HB2 ALA 9 HB2 ALA 9 -6.842 7.973 -2.339 75 HB3 ALA 9 HB3 ALA 9 -7.563 9.132 -1.160 76 H ALA 10 HN ALA 10 -8.689 6.892 -4.081 77 HA ALA 10 HA ALA 10 -10.420 8.930 -4.948 78 HB1 ALA 10 HB1 ALA 10 -10.340 7.790 -7.127 79 HB2 ALA 10 HB2 ALA 10 -8.742 7.453 -6.357 80 HB3 ALA 10 HB3 ALA 10 -10.008 6.195 -6.376 81 H LYS 11 HN LYS 11 -11.125 5.484 -4.396 82 HA LYS 11 HA LYS 11 -13.757 5.746 -5.419 83 HB2 LYS 11 HB1 LYS 11 -12.379 3.717 -5.601 84 HB3 LYS 11 HB2 LYS 11 -12.420 3.472 -3.835 85 HG2 LYS 11 HG1 LYS 11 -15.026 3.631 -5.449 86 HG3 LYS 11 HG2 LYS 11 -14.047 2.135 -5.514 87 HD2 LYS 11 HD1 LYS 11 -14.238 1.749 -3.125 88 HD3 LYS 11 HD2 LYS 11 -14.941 3.366 -2.849 89 HE2 LYS 11 HE1 LYS 11 -16.955 2.653 -4.317 90 HE3 LYS 11 HE2 LYS 11 -16.316 0.962 -4.190 91 HZ1 LYS 11 HZ1 LYS 11 -17.102 2.804 -1.988 92 HZ2 LYS 11 HZ2 LYS 11 -16.301 1.350 -1.725 93 HZ3 LYS 11 HZ3 LYS 11 -17.855 1.345 -2.423 94 H PHE 12 HN PHE 12 -12.551 5.515 -2.029 95 HA PHE 12 HA PHE 12 -15.337 5.737 -1.092 96 HB2 PHE 12 HB1 PHE 12 -12.650 5.146 0.282 97 HB3 PHE 12 HB2 PHE 12 -14.113 5.594 1.227 98 HD1 PHE 12 HD1 PHE 12 -16.137 4.240 1.180 99 HD2 PHE 12 HD2 PHE 12 -12.507 2.914 -0.676 100 HE1 PHE 12 HE1 PHE 12 -16.951 1.905 1.283 101 HE2 PHE 12 HE2 PHE 12 -13.321 0.569 -0.593 102 HZ PHE 12 HZ PHE 12 -15.533 0.060 0.409 103 H GLY 13 HN GLY 13 -12.613 7.702 -1.795 104 HA2 GLY 13 HA1 GLY 13 -14.097 9.991 -0.648 105 HA3 GLY 13 HA2 GLY 13 -12.347 9.904 -1.027 106 HA PRO 14 HA PRO 14 -14.441 10.728 -5.167 107 HB2 PRO 14 HB1 PRO 14 -17.135 11.497 -5.156 108 HB3 PRO 14 HB2 PRO 14 -16.592 9.800 -5.433 109 HG2 PRO 14 HG1 PRO 14 -17.512 11.029 -2.779 110 HG3 PRO 14 HG2 PRO 14 -18.053 9.475 -3.544 111 HD2 PRO 14 HD1 PRO 14 -16.096 9.502 -1.600 112 HD3 PRO 14 HD2 PRO 14 -15.960 8.387 -3.031 113 H LYS 15 HN LYS 15 -15.378 12.109 -2.074 114 HA LYS 15 HA LYS 15 -14.920 14.841 -2.748 115 HB2 LYS 15 HB1 LYS 15 -14.307 13.399 -0.080 116 HB3 LYS 15 HB2 LYS 15 -14.347 15.161 -0.351 117 HG2 LYS 15 HG1 LYS 15 -16.278 14.785 0.752 118 HG3 LYS 15 HG2 LYS 15 -16.857 14.917 -0.941 119 HD2 LYS 15 HD1 LYS 15 -17.487 12.611 -0.990 120 HD3 LYS 15 HD2 LYS 15 -16.178 12.145 0.133 121 HE2 LYS 15 HE1 LYS 15 -18.382 11.799 1.211 122 HE3 LYS 15 HE2 LYS 15 -17.374 13.009 2.095 123 HZ1 LYS 15 HZ1 LYS 15 -18.620 14.764 0.996 124 HZ2 LYS 15 HZ2 LYS 15 -19.633 13.747 1.894 125 HZ3 LYS 15 HZ3 LYS 15 -19.597 13.625 0.203 126 H LEU 16 HN LEU 16 -12.671 12.196 -1.650 127 HA LEU 16 HA LEU 16 -10.440 13.922 -1.513 128 HB2 LEU 16 HB1 LEU 16 -10.662 10.897 -1.446 129 HB3 LEU 16 HB2 LEU 16 -9.093 11.732 -1.516 130 HG LEU 16 HG LEU 16 -9.554 12.970 0.558 131 HD11 LEU 16 HD11 LEU 16 -12.044 11.166 0.847 132 HD12 LEU 16 HD12 LEU 16 -12.037 12.979 0.700 133 HD13 LEU 16 HD13 LEU 16 -11.315 12.182 2.138 134 HD21 LEU 16 HD21 LEU 16 -9.175 11.008 2.055 135 HD22 LEU 16 HD22 LEU 16 -8.243 10.860 0.521 136 HD23 LEU 16 HD23 LEU 16 -9.752 9.900 0.754 137 H PHE 17 HN PHE 17 -11.437 11.615 -4.190 138 HA PHE 17 HA PHE 17 -9.118 12.593 -5.639 139 HB2 PHE 17 HB1 PHE 17 -11.099 10.458 -6.119 140 HB3 PHE 17 HB2 PHE 17 -10.785 11.401 -7.609 141 HD1 PHE 17 HD1 PHE 17 -9.374 10.139 -8.928 142 HD2 PHE 17 HD2 PHE 17 -8.446 10.462 -4.739 143 HE1 PHE 17 HE1 PHE 17 -7.298 8.827 -9.276 144 HE2 PHE 17 HE2 PHE 17 -6.398 9.144 -5.088 145 HZ PHE 17 HZ PHE 17 -5.811 8.325 -7.353 146 H ABA 18 HN AGL 18 -12.385 13.869 -5.394 147 HA ABA 18 HA AGL 18 -11.965 15.651 -7.589 148 HB3 ABA 18 HB2 AGL 18 -13.627 17.157 -6.188 149 HB2 ABA 18 HB1 AGL 18 -13.780 15.732 -5.133 150 HG3 ABA 18 HG AGL 18 -14.910 14.455 -6.893 151 H LEU 19 HN LEU 19 -10.995 15.788 -4.135 152 HA LEU 19 HA LEU 19 -9.866 18.419 -4.594 153 HB2 LEU 19 HB1 LEU 19 -11.027 17.900 -2.479 154 HB3 LEU 19 HB2 LEU 19 -9.865 16.587 -2.141 155 HG LEU 19 HG LEU 19 -8.005 18.263 -1.983 156 HD11 LEU 19 HD11 LEU 19 -8.805 20.052 -3.502 157 HD12 LEU 19 HD12 LEU 19 -8.534 20.712 -1.856 158 HD13 LEU 19 HD13 LEU 19 -10.213 20.376 -2.417 159 HD21 LEU 19 HD21 LEU 19 -8.702 19.295 0.157 160 HD22 LEU 19 HD22 LEU 19 -9.260 17.586 0.053 161 HD23 LEU 19 HD23 LEU 19 -10.430 18.937 -0.210 162 H VAL 20 HN VAL 20 -8.390 15.312 -3.426 163 HA VAL 20 HA VAL 20 -5.782 16.355 -3.379 164 HB VAL 20 HB VAL 20 -6.771 13.458 -3.352 165 HG11 VAL 20 HG11 VAL 20 -4.344 13.521 -3.915 166 HG12 VAL 20 HG12 VAL 20 -4.038 14.705 -2.588 167 HG13 VAL 20 HG13 VAL 20 -4.545 13.016 -2.206 168 HG21 VAL 20 HG21 VAL 20 -6.095 15.448 -1.077 169 HG22 VAL 20 HG22 VAL 20 -7.741 14.816 -1.479 170 HG23 VAL 20 HG23 VAL 20 -6.473 13.702 -0.858 171 H THR 21 HN THR 21 -7.409 14.154 -5.665 172 HA THR 21 HA THR 21 -5.061 14.356 -7.447 173 HB THR 21 HB THR 21 -7.429 12.489 -7.745 174 HG1 THR 21 HG1 THR 21 -6.157 11.064 -6.658 175 HG21 THR 21 HG21 THR 21 -4.497 12.498 -8.781 176 HG22 THR 21 HG22 THR 21 -5.969 12.662 -9.814 177 HG23 THR 21 HG23 THR 21 -5.628 11.109 -8.974 178 H LYS 22 HN LYS 22 -7.717 16.075 -6.940 179 HA LYS 22 HA LYS 22 -8.883 17.585 -8.039 180 HB2 LYS 22 HB1 LYS 22 -6.329 18.002 -8.190 181 HB3 LYS 22 HB2 LYS 22 -6.507 17.777 -9.940 182 HG2 LYS 22 HG1 LYS 22 -8.070 19.891 -8.252 183 HG3 LYS 22 HG2 LYS 22 -6.421 20.127 -8.880 184 HD2 LYS 22 HD1 LYS 22 -7.450 21.182 -10.568 185 HD3 LYS 22 HD2 LYS 22 -7.448 19.536 -11.240 186 HE2 LYS 22 HE1 LYS 22 -9.886 19.804 -9.661 187 HE3 LYS 22 HE2 LYS 22 -9.720 21.368 -10.553 188 HZ1 LYS 22 HZ1 LYS 22 -10.928 19.525 -11.711 189 HZ2 LYS 22 HZ2 LYS 22 -9.476 18.683 -11.749 190 HZ3 LYS 22 HZ3 LYS 22 -9.608 20.145 -12.613 191 H LYS 23 HN LYS 23 -9.913 15.128 -8.994 192 HA LYS 23 HA LYS 23 -10.170 15.567 -11.912 193 HB2 LYS 23 HB1 LYS 23 -10.787 13.123 -10.191 194 HB3 LYS 23 HB2 LYS 23 -11.098 13.241 -11.955 195 HG2 LYS 23 HG1 LYS 23 -8.343 13.373 -10.597 196 HG3 LYS 23 HG2 LYS 23 -9.030 11.997 -11.524 197 HD2 LYS 23 HD1 LYS 23 -9.117 13.533 -13.594 198 HD3 LYS 23 HD2 LYS 23 -8.364 14.815 -12.605 199 HE2 LYS 23 HE1 LYS 23 -6.593 13.929 -13.914 200 HE3 LYS 23 HE2 LYS 23 -6.330 13.353 -12.220 201 HZ1 LYS 23 HZ1 LYS 23 -6.001 11.610 -13.857 202 HZ2 LYS 23 HZ2 LYS 23 -7.574 11.801 -14.448 203 HZ3 LYS 23 HZ3 LYS 23 -7.332 11.243 -12.866 204 H ABA 24 HN AGL 24 -11.873 16.747 -9.385 205 HA ABA 24 HA AGL 24 -14.394 16.547 -10.915 206 HB3 ABA 24 HB2 AGL 24 -15.348 17.960 -9.032 207 HB2 ABA 24 HB1 AGL 24 -13.756 17.869 -8.226 208 HG3 ABA 24 HG AGL 24 -15.583 15.422 -8.963 Start of MODEL 7 1 H1 PHE 1 HN PHE 1 3.363 1.402 -6.492 2 HA PHE 1 HA PHE 1 5.780 2.634 -5.550 3 HB2 PHE 1 HB1 PHE 1 4.876 3.930 -7.681 4 HB3 PHE 1 HB2 PHE 1 3.612 4.589 -6.597 5 HD1 PHE 1 HD1 PHE 1 4.977 5.287 -4.088 6 HD2 PHE 1 HD2 PHE 1 6.455 5.486 -8.125 7 HE1 PHE 1 HE1 PHE 1 6.549 7.045 -3.422 8 HE2 PHE 1 HE2 PHE 1 8.034 7.264 -7.451 9 HZ PHE 1 HZ PHE 1 8.094 8.042 -5.093 10 H LEU 2 HN LEU 2 2.242 3.258 -5.591 11 HA LEU 2 HA LEU 2 2.162 2.495 -2.747 12 HB2 LEU 2 HB1 LEU 2 0.151 4.179 -4.401 13 HB3 LEU 2 HB2 LEU 2 -0.204 3.483 -2.796 14 HG LEU 2 HG LEU 2 0.185 5.727 -2.390 15 HD11 LEU 2 HD11 LEU 2 1.370 4.210 -0.779 16 HD12 LEU 2 HD12 LEU 2 2.150 5.829 -0.919 17 HD13 LEU 2 HD13 LEU 2 2.891 4.409 -1.734 18 HD21 LEU 2 HD21 LEU 2 2.788 5.675 -4.025 19 HD22 LEU 2 HD22 LEU 2 2.093 7.084 -3.145 20 HD23 LEU 2 HD23 LEU 2 1.213 6.379 -4.553 21 HA PRO 3 HA PRO 3 -0.497 -0.484 -4.942 22 HB2 PRO 3 HB1 PRO 3 -1.598 -1.895 -2.863 23 HB3 PRO 3 HB2 PRO 3 0.183 -1.892 -3.105 24 HG2 PRO 3 HG1 PRO 3 -1.392 -0.083 -1.183 25 HG3 PRO 3 HG2 PRO 3 0.007 -1.169 -0.794 26 HD2 PRO 3 HD1 PRO 3 0.283 1.555 -1.443 27 HD3 PRO 3 HD2 PRO 3 1.558 0.315 -1.834 28 H ILE 4 HN ILE 4 -3.079 -1.132 -3.808 29 HA ILE 4 HA ILE 4 -4.688 0.653 -4.970 30 HB ILE 4 HB ILE 4 -6.564 -0.419 -3.768 31 HG12 ILE 4 HG11 ILE 4 -4.339 -1.899 -2.211 32 HG13 ILE 4 HG12 ILE 4 -5.477 -0.694 -1.527 33 HG21 ILE 4 HG21 ILE 4 -4.402 -2.377 -4.797 34 HG22 ILE 4 HG22 ILE 4 -6.185 -2.608 -4.802 35 HG23 ILE 4 HG23 ILE 4 -5.452 -1.344 -5.839 36 HD11 ILE 4 HD1 ILE 4 -7.419 -2.213 -2.187 37 HD12 ILE 4 HD2 ILE 4 -6.222 -3.458 -2.696 38 HD13 ILE 4 HD3 ILE 4 -6.298 -2.935 -0.978 39 H LEU 5 HN LEU 5 -3.461 1.198 -1.733 40 HA LEU 5 HA LEU 5 -5.536 2.532 -0.564 41 HB2 LEU 5 HB1 LEU 5 -2.547 3.133 -0.275 42 HB3 LEU 5 HB2 LEU 5 -3.821 3.540 0.918 43 HG LEU 5 HG LEU 5 -3.009 0.686 0.076 44 HD11 LEU 5 HD11 LEU 5 -2.441 2.262 2.658 45 HD12 LEU 5 HD12 LEU 5 -1.235 1.873 1.375 46 HD13 LEU 5 HD13 LEU 5 -1.995 0.549 2.337 47 HD21 LEU 5 HD21 LEU 5 -5.394 0.721 0.786 48 HD22 LEU 5 HD22 LEU 5 -4.953 1.653 2.269 49 HD23 LEU 5 HD23 LEU 5 -4.371 -0.034 2.057 50 H ALA 6 HN ALA 6 -3.145 4.082 -2.783 51 HA ALA 6 HA ALA 6 -4.113 6.725 -2.416 52 HB1 ALA 6 HB1 ALA 6 -1.912 6.173 -3.488 53 HB2 ALA 6 HB2 ALA 6 -2.768 5.342 -4.834 54 HB3 ALA 6 HB3 ALA 6 -2.933 7.127 -4.622 55 H SER 7 HN SER 7 -4.978 4.172 -4.798 56 HA SER 7 HA SER 7 -6.995 5.594 -6.126 57 HB2 SER 7 HB1 SER 7 -6.825 2.548 -5.709 58 HB3 SER 7 HB2 SER 7 -7.690 3.398 -7.032 59 HG SER 7 HG1 SER 7 -5.753 3.846 -7.956 60 H LEU 8 HN LEU 8 -7.123 3.425 -3.275 61 HA LEU 8 HA LEU 8 -9.920 3.437 -2.995 62 HB2 LEU 8 HB1 LEU 8 -7.686 2.989 -0.955 63 HB3 LEU 8 HB2 LEU 8 -9.415 2.867 -0.521 64 HG LEU 8 HG LEU 8 -8.022 1.112 -2.610 65 HD11 LEU 8 HD11 LEU 8 -7.256 0.662 -0.280 66 HD12 LEU 8 HD12 LEU 8 -8.319 -0.679 -0.856 67 HD13 LEU 8 HD13 LEU 8 -8.965 0.555 0.281 68 HD21 LEU 8 HD21 LEU 8 -10.866 0.965 -1.412 69 HD22 LEU 8 HD22 LEU 8 -10.112 -0.271 -2.478 70 HD23 LEU 8 HD23 LEU 8 -10.465 1.368 -3.132 71 H ALA 9 HN ALA 9 -7.473 5.691 -1.636 72 HA ALA 9 HA ALA 9 -9.226 7.189 -0.094 73 HB1 ALA 9 HB1 ALA 9 -7.516 9.020 -0.388 74 HB2 ALA 9 HB2 ALA 9 -6.730 7.427 -0.087 75 HB3 ALA 9 HB3 ALA 9 -6.783 8.091 -1.754 76 H ALA 10 HN ALA 10 -8.376 7.596 -3.553 77 HA ALA 10 HA ALA 10 -10.280 9.580 -4.144 78 HB1 ALA 10 HB1 ALA 10 -8.394 9.074 -5.640 79 HB2 ALA 10 HB2 ALA 10 -8.880 7.349 -5.754 80 HB3 ALA 10 HB3 ALA 10 -9.896 8.602 -6.533 81 H LYS 11 HN LYS 11 -10.618 5.969 -4.464 82 HA LYS 11 HA LYS 11 -13.194 6.225 -5.572 83 HB2 LYS 11 HB1 LYS 11 -11.722 4.299 -5.950 84 HB3 LYS 11 HB2 LYS 11 -11.891 3.791 -4.252 85 HG2 LYS 11 HG1 LYS 11 -14.513 4.173 -5.718 86 HG3 LYS 11 HG2 LYS 11 -13.448 2.966 -6.464 87 HD2 LYS 11 HD1 LYS 11 -13.762 1.417 -4.903 88 HD3 LYS 11 HD2 LYS 11 -13.517 2.530 -3.539 89 HE2 LYS 11 HE1 LYS 11 -16.178 2.441 -5.125 90 HE3 LYS 11 HE2 LYS 11 -15.839 1.327 -3.741 91 HZ1 LYS 11 HZ1 LYS 11 -17.024 3.397 -3.128 92 HZ2 LYS 11 HZ2 LYS 11 -15.645 4.287 -3.544 93 HZ3 LYS 11 HZ3 LYS 11 -15.566 3.153 -2.299 94 H PHE 12 HN PHE 12 -12.281 5.699 -2.125 95 HA PHE 12 HA PHE 12 -15.152 5.506 -1.464 96 HB2 PHE 12 HB1 PHE 12 -12.563 4.881 0.042 97 HB3 PHE 12 HB2 PHE 12 -14.062 5.247 0.967 98 HD1 PHE 12 HD1 PHE 12 -16.134 3.983 0.603 99 HD2 PHE 12 HD2 PHE 12 -12.389 2.741 -1.077 100 HE1 PHE 12 HE1 PHE 12 -17.059 1.712 0.245 101 HE2 PHE 12 HE2 PHE 12 -13.310 0.457 -1.435 102 HZ PHE 12 HZ PHE 12 -15.648 -0.051 -0.780 103 H GLY 13 HN GLY 13 -12.544 7.851 -1.344 104 HA2 GLY 13 HA1 GLY 13 -14.530 9.735 -0.233 105 HA3 GLY 13 HA2 GLY 13 -12.777 9.978 -0.525 106 HA PRO 14 HA PRO 14 -14.645 10.489 -4.823 107 HB2 PRO 14 HB1 PRO 14 -17.313 11.390 -4.986 108 HB3 PRO 14 HB2 PRO 14 -16.834 9.657 -5.119 109 HG2 PRO 14 HG1 PRO 14 -17.787 11.123 -2.598 110 HG3 PRO 14 HG2 PRO 14 -18.380 9.545 -3.263 111 HD2 PRO 14 HD1 PRO 14 -16.499 9.594 -1.256 112 HD3 PRO 14 HD2 PRO 14 -16.325 8.413 -2.627 113 H LYS 15 HN LYS 15 -15.708 12.176 -1.993 114 HA LYS 15 HA LYS 15 -15.179 14.855 -2.714 115 HB2 LYS 15 HB1 LYS 15 -14.869 13.296 -0.076 116 HB3 LYS 15 HB2 LYS 15 -14.741 15.079 -0.190 117 HG2 LYS 15 HG1 LYS 15 -17.055 15.337 -0.779 118 HG3 LYS 15 HG2 LYS 15 -17.284 13.583 -1.074 119 HD2 LYS 15 HD1 LYS 15 -16.937 13.063 1.299 120 HD3 LYS 15 HD2 LYS 15 -16.517 14.773 1.661 121 HE2 LYS 15 HE1 LYS 15 -18.831 15.519 1.154 122 HE3 LYS 15 HE2 LYS 15 -19.298 13.848 0.648 123 HZ1 LYS 15 HZ1 LYS 15 -19.964 14.393 2.928 124 HZ2 LYS 15 HZ2 LYS 15 -18.349 14.607 3.379 125 HZ3 LYS 15 HZ3 LYS 15 -18.894 13.084 2.886 126 H LEU 16 HN LEU 16 -12.977 12.244 -1.457 127 HA LEU 16 HA LEU 16 -10.663 13.897 -1.552 128 HB2 LEU 16 HB1 LEU 16 -10.957 10.877 -1.357 129 HB3 LEU 16 HB2 LEU 16 -9.392 11.739 -1.290 130 HG LEU 16 HG LEU 16 -11.676 12.140 0.725 131 HD11 LEU 16 HD11 LEU 16 -10.229 10.821 2.275 132 HD12 LEU 16 HD12 LEU 16 -9.033 10.564 0.955 133 HD13 LEU 16 HD13 LEU 16 -10.676 9.840 0.826 134 HD21 LEU 16 HD21 LEU 16 -8.746 13.129 0.716 135 HD22 LEU 16 HD22 LEU 16 -9.888 13.273 2.096 136 HD23 LEU 16 HD23 LEU 16 -10.215 14.168 0.570 137 H PHE 17 HN PHE 17 -12.088 11.566 -3.938 138 HA PHE 17 HA PHE 17 -9.937 11.738 -5.688 139 HB2 PHE 17 HB1 PHE 17 -12.195 10.324 -5.822 140 HB3 PHE 17 HB2 PHE 17 -12.853 11.698 -6.741 141 HD1 PHE 17 HD1 PHE 17 -9.261 11.117 -7.525 142 HD2 PHE 17 HD2 PHE 17 -13.257 9.686 -8.244 143 HE1 PHE 17 HE1 PHE 17 -8.457 9.862 -9.443 144 HE2 PHE 17 HE2 PHE 17 -12.433 8.401 -10.186 145 HZ PHE 17 HZ PHE 17 -10.014 8.449 -10.771 146 H ABA 18 HN AGL 18 -12.836 13.811 -5.478 147 HA ABA 18 HA AGL 18 -12.095 15.684 -7.431 148 HB3 ABA 18 HB2 AGL 18 -13.702 17.204 -5.963 149 HB2 ABA 18 HB1 AGL 18 -13.962 15.731 -5.001 150 HG3 ABA 18 HG AGL 18 -14.915 14.516 -6.979 151 H LEU 19 HN LEU 19 -11.354 15.691 -3.876 152 HA LEU 19 HA LEU 19 -10.046 18.218 -4.183 153 HB2 LEU 19 HB1 LEU 19 -11.238 17.422 -2.130 154 HB3 LEU 19 HB2 LEU 19 -9.945 16.229 -1.843 155 HG LEU 19 HG LEU 19 -9.912 18.325 -0.444 156 HD11 LEU 19 HD11 LEU 19 -7.521 18.679 -0.386 157 HD12 LEU 19 HD12 LEU 19 -7.308 18.065 -2.056 158 HD13 LEU 19 HD13 LEU 19 -7.830 16.939 -0.742 159 HD21 LEU 19 HD21 LEU 19 -8.959 19.795 -2.978 160 HD22 LEU 19 HD22 LEU 19 -9.104 20.468 -1.319 161 HD23 LEU 19 HD23 LEU 19 -10.588 19.976 -2.218 162 H VAL 20 HN VAL 20 -8.707 14.912 -3.496 163 HA VAL 20 HA VAL 20 -6.052 15.818 -3.373 164 HB VAL 20 HB VAL 20 -7.130 12.985 -3.724 165 HG11 VAL 20 HG11 VAL 20 -4.872 12.336 -2.749 166 HG12 VAL 20 HG12 VAL 20 -4.713 13.080 -4.375 167 HG13 VAL 20 HG13 VAL 20 -4.336 14.048 -2.903 168 HG21 VAL 20 HG21 VAL 20 -7.966 14.117 -1.636 169 HG22 VAL 20 HG22 VAL 20 -6.721 12.882 -1.231 170 HG23 VAL 20 HG23 VAL 20 -6.282 14.627 -1.237 171 H THR 21 HN THR 21 -7.933 14.328 -6.041 172 HA THR 21 HA THR 21 -5.543 14.745 -7.748 173 HB THR 21 HB THR 21 -6.327 13.370 -9.420 174 HG1 THR 21 HG1 THR 21 -8.761 13.385 -8.012 175 HG21 THR 21 HG21 THR 21 -6.874 11.985 -6.702 176 HG22 THR 21 HG22 THR 21 -5.251 12.279 -7.430 177 HG23 THR 21 HG23 THR 21 -6.424 11.193 -8.259 178 H LYS 22 HN LYS 22 -7.793 16.694 -6.751 179 HA LYS 22 HA LYS 22 -8.976 18.400 -7.461 180 HB2 LYS 22 HB1 LYS 22 -7.783 20.091 -8.635 181 HB3 LYS 22 HB2 LYS 22 -6.742 19.275 -7.445 182 HG2 LYS 22 HG1 LYS 22 -5.351 18.307 -9.019 183 HG3 LYS 22 HG2 LYS 22 -6.588 18.204 -10.282 184 HD2 LYS 22 HD1 LYS 22 -5.151 20.785 -9.389 185 HD3 LYS 22 HD2 LYS 22 -4.770 19.818 -10.839 186 HE2 LYS 22 HE1 LYS 22 -7.323 21.487 -10.330 187 HE3 LYS 22 HE2 LYS 22 -6.045 21.752 -11.579 188 HZ1 LYS 22 HZ1 LYS 22 -7.990 19.527 -11.387 189 HZ2 LYS 22 HZ2 LYS 22 -6.709 19.526 -12.490 190 HZ3 LYS 22 HZ3 LYS 22 -7.931 20.713 -12.583 191 H LYS 23 HN LYS 23 -10.253 16.328 -8.808 192 HA LYS 23 HA LYS 23 -10.550 17.364 -11.580 193 HB2 LYS 23 HB1 LYS 23 -10.886 15.194 -12.379 194 HB3 LYS 23 HB2 LYS 23 -9.417 15.180 -11.354 195 HG2 LYS 23 HG1 LYS 23 -10.749 14.206 -9.458 196 HG3 LYS 23 HG2 LYS 23 -12.203 14.137 -10.504 197 HD2 LYS 23 HD1 LYS 23 -9.511 12.738 -11.022 198 HD3 LYS 23 HD2 LYS 23 -10.964 11.967 -10.308 199 HE2 LYS 23 HE1 LYS 23 -12.244 12.294 -12.426 200 HE3 LYS 23 HE2 LYS 23 -10.833 13.138 -13.183 201 HZ1 LYS 23 HZ1 LYS 23 -10.787 10.364 -12.122 202 HZ2 LYS 23 HZ2 LYS 23 -9.535 11.167 -12.932 203 HZ3 LYS 23 HZ3 LYS 23 -10.964 10.785 -13.763 204 H ABA 24 HN AGL 24 -12.305 17.901 -8.991 205 HA ABA 24 HA AGL 24 -14.847 17.510 -10.479 206 HB3 ABA 24 HB2 AGL 24 -15.982 18.278 -8.354 207 HB2 ABA 24 HB1 AGL 24 -14.392 18.287 -7.548 208 HG3 ABA 24 HG AGL 24 -15.874 15.793 -8.752 Start of MODEL 8 1 H1 PHE 1 HN PHE 1 2.527 2.689 -7.729 2 HA PHE 1 HA PHE 1 3.594 4.910 -6.154 3 HB2 PHE 1 HB1 PHE 1 1.140 4.839 -8.026 4 HB3 PHE 1 HB2 PHE 1 1.468 6.191 -6.887 5 HD1 PHE 1 HD1 PHE 1 3.842 7.264 -7.019 6 HD2 PHE 1 HD2 PHE 1 2.021 5.024 -10.197 7 HE1 PHE 1 HE1 PHE 1 5.307 8.406 -8.661 8 HE2 PHE 1 HE2 PHE 1 3.476 6.170 -11.842 9 HZ PHE 1 HZ PHE 1 5.123 7.858 -11.076 10 H LEU 2 HN LEU 2 3.487 3.526 -4.340 11 HA LEU 2 HA LEU 2 2.631 2.648 -2.508 12 HB2 LEU 2 HB1 LEU 2 0.042 4.141 -3.241 13 HB3 LEU 2 HB2 LEU 2 0.198 3.178 -1.769 14 HG LEU 2 HG LEU 2 0.401 5.435 -1.178 15 HD11 LEU 2 HD11 LEU 2 2.543 5.510 0.024 16 HD12 LEU 2 HD12 LEU 2 3.243 4.250 -1.052 17 HD13 LEU 2 HD13 LEU 2 1.872 3.838 0.056 18 HD21 LEU 2 HD21 LEU 2 2.795 5.845 -3.060 19 HD22 LEU 2 HD22 LEU 2 2.020 7.059 -1.980 20 HD23 LEU 2 HD23 LEU 2 1.106 6.387 -3.385 21 HA PRO 3 HA PRO 3 -0.126 -0.735 -3.887 22 HB2 PRO 3 HB1 PRO 3 -1.400 -1.532 -1.532 23 HB3 PRO 3 HB2 PRO 3 0.326 -1.925 -1.868 24 HG2 PRO 3 HG1 PRO 3 -0.731 0.478 -0.265 25 HG3 PRO 3 HG2 PRO 3 0.467 -0.772 0.276 26 HD2 PRO 3 HD1 PRO 3 1.290 1.623 -0.786 27 HD3 PRO 3 HD2 PRO 3 2.150 0.084 -1.249 28 H ILE 4 HN ILE 4 -2.729 -1.132 -3.272 29 HA ILE 4 HA ILE 4 -4.018 0.711 -4.700 30 HB ILE 4 HB ILE 4 -6.137 -0.300 -3.852 31 HG12 ILE 4 HG11 ILE 4 -4.251 -1.879 -1.971 32 HG13 ILE 4 HG12 ILE 4 -5.445 -0.644 -1.461 33 HG21 ILE 4 HG21 ILE 4 -5.645 -2.498 -4.829 34 HG22 ILE 4 HG22 ILE 4 -4.721 -1.246 -5.717 35 HG23 ILE 4 HG23 ILE 4 -3.885 -2.311 -4.523 36 HD11 ILE 4 HD1 ILE 4 -6.417 -2.863 -1.098 37 HD12 ILE 4 HD2 ILE 4 -7.299 -2.087 -2.462 38 HD13 ILE 4 HD3 ILE 4 -6.074 -3.366 -2.790 39 H LEU 5 HN LEU 5 -3.464 1.155 -1.302 40 HA LEU 5 HA LEU 5 -5.411 2.697 -0.332 41 HB2 LEU 5 HB1 LEU 5 -2.407 3.179 -0.024 42 HB3 LEU 5 HB2 LEU 5 -3.676 3.698 1.130 43 HG LEU 5 HG LEU 5 -2.931 0.782 0.450 44 HD11 LEU 5 HD11 LEU 5 -1.173 1.975 1.770 45 HD12 LEU 5 HD12 LEU 5 -2.011 0.713 2.750 46 HD13 LEU 5 HD13 LEU 5 -2.417 2.445 2.988 47 HD21 LEU 5 HD21 LEU 5 -5.343 0.901 1.087 48 HD22 LEU 5 HD22 LEU 5 -4.914 1.890 2.539 49 HD23 LEU 5 HD23 LEU 5 -4.368 0.185 2.420 50 H ALA 6 HN ALA 6 -2.850 4.109 -2.485 51 HA ALA 6 HA ALA 6 -3.722 6.782 -2.178 52 HB1 ALA 6 HB1 ALA 6 -2.339 7.126 -4.283 53 HB2 ALA 6 HB2 ALA 6 -1.481 6.110 -3.066 54 HB3 ALA 6 HB3 ALA 6 -2.257 5.335 -4.482 55 H SER 7 HN SER 7 -4.527 4.336 -4.699 56 HA SER 7 HA SER 7 -6.463 5.858 -6.058 57 HB2 SER 7 HB1 SER 7 -6.360 2.797 -5.742 58 HB3 SER 7 HB2 SER 7 -7.164 3.712 -7.065 59 HG SER 7 HG1 SER 7 -5.147 4.282 -7.824 60 H LEU 8 HN LEU 8 -6.709 3.581 -3.303 61 HA LEU 8 HA LEU 8 -9.511 3.562 -3.165 62 HB2 LEU 8 HB1 LEU 8 -7.443 3.075 -0.966 63 HB3 LEU 8 HB2 LEU 8 -9.200 2.923 -0.693 64 HG LEU 8 HG LEU 8 -7.591 1.212 -2.655 65 HD11 LEU 8 HD11 LEU 8 -8.113 -0.616 -0.992 66 HD12 LEU 8 HD12 LEU 8 -8.862 0.598 0.101 67 HD13 LEU 8 HD13 LEU 8 -7.098 0.687 -0.264 68 HD21 LEU 8 HD21 LEU 8 -9.951 1.456 -3.458 69 HD22 LEU 8 HD22 LEU 8 -10.556 1.045 -1.798 70 HD23 LEU 8 HD23 LEU 8 -9.674 -0.186 -2.769 71 H ALA 9 HN ALA 9 -7.187 5.854 -1.693 72 HA ALA 9 HA ALA 9 -9.014 7.206 -0.100 73 HB1 ALA 9 HB1 ALA 9 -7.337 9.093 -0.262 74 HB2 ALA 9 HB2 ALA 9 -6.546 7.494 -0.001 75 HB3 ALA 9 HB3 ALA 9 -6.545 8.232 -1.634 76 H ALA 10 HN ALA 10 -8.096 7.925 -3.502 77 HA ALA 10 HA ALA 10 -10.114 9.796 -4.017 78 HB1 ALA 10 HB1 ALA 10 -8.665 7.723 -5.802 79 HB2 ALA 10 HB2 ALA 10 -9.559 9.153 -6.418 80 HB3 ALA 10 HB3 ALA 10 -8.069 9.384 -5.431 81 H LYS 11 HN LYS 11 -10.205 6.202 -4.550 82 HA LYS 11 HA LYS 11 -12.766 6.279 -5.686 83 HB2 LYS 11 HB1 LYS 11 -11.186 4.451 -6.054 84 HB3 LYS 11 HB2 LYS 11 -11.325 3.930 -4.356 85 HG2 LYS 11 HG1 LYS 11 -13.949 4.113 -5.871 86 HG3 LYS 11 HG2 LYS 11 -12.785 2.967 -6.553 87 HD2 LYS 11 HD1 LYS 11 -13.026 1.438 -4.968 88 HD3 LYS 11 HD2 LYS 11 -12.916 2.592 -3.620 89 HE2 LYS 11 HE1 LYS 11 -15.505 2.240 -5.291 90 HE3 LYS 11 HE2 LYS 11 -15.127 1.211 -3.854 91 HZ1 LYS 11 HZ1 LYS 11 -16.500 3.208 -3.373 92 HZ2 LYS 11 HZ2 LYS 11 -15.167 4.178 -3.763 93 HZ3 LYS 11 HZ3 LYS 11 -15.067 3.097 -2.475 94 H PHE 12 HN PHE 12 -11.946 5.781 -2.206 95 HA PHE 12 HA PHE 12 -14.831 5.431 -1.656 96 HB2 PHE 12 HB1 PHE 12 -12.266 4.851 -0.099 97 HB3 PHE 12 HB2 PHE 12 -13.769 5.194 0.818 98 HD1 PHE 12 HD1 PHE 12 -15.849 3.930 0.380 99 HD2 PHE 12 HD2 PHE 12 -12.025 2.680 -1.104 100 HE1 PHE 12 HE1 PHE 12 -16.733 1.637 0.059 101 HE2 PHE 12 HE2 PHE 12 -12.905 0.374 -1.426 102 HZ PHE 12 HZ PHE 12 -15.264 -0.139 -0.854 103 H GLY 13 HN GLY 13 -12.372 7.935 -1.458 104 HA2 GLY 13 HA1 GLY 13 -14.416 9.639 -0.191 105 HA3 GLY 13 HA2 GLY 13 -12.711 10.014 -0.604 106 HA PRO 14 HA PRO 14 -14.946 10.599 -4.687 107 HB2 PRO 14 HB1 PRO 14 -17.640 11.448 -4.588 108 HB3 PRO 14 HB2 PRO 14 -17.119 9.734 -4.828 109 HG2 PRO 14 HG1 PRO 14 -17.886 11.090 -2.182 110 HG3 PRO 14 HG2 PRO 14 -18.502 9.513 -2.838 111 HD2 PRO 14 HD1 PRO 14 -16.458 9.519 -1.017 112 HD3 PRO 14 HD2 PRO 14 -16.380 8.421 -2.459 113 H LYS 15 HN LYS 15 -15.669 12.254 -1.716 114 HA LYS 15 HA LYS 15 -15.203 14.919 -2.572 115 HB2 LYS 15 HB1 LYS 15 -14.352 13.651 0.117 116 HB3 LYS 15 HB2 LYS 15 -14.510 15.384 -0.265 117 HG2 LYS 15 HG1 LYS 15 -16.393 15.147 0.899 118 HG3 LYS 15 HG2 LYS 15 -17.077 14.788 -0.713 119 HD2 LYS 15 HD1 LYS 15 -17.070 12.379 -0.244 120 HD3 LYS 15 HD2 LYS 15 -16.076 12.581 1.226 121 HE2 LYS 15 HE1 LYS 15 -18.970 13.651 0.904 122 HE3 LYS 15 HE2 LYS 15 -18.529 12.077 1.674 123 HZ1 LYS 15 HZ1 LYS 15 -18.846 13.818 3.303 124 HZ2 LYS 15 HZ2 LYS 15 -17.633 14.767 2.604 125 HZ3 LYS 15 HZ3 LYS 15 -17.245 13.283 3.319 126 H LEU 16 HN LEU 16 -12.932 12.281 -1.579 127 HA LEU 16 HA LEU 16 -10.620 13.913 -1.836 128 HB2 LEU 16 HB1 LEU 16 -10.895 10.897 -1.600 129 HB3 LEU 16 HB2 LEU 16 -9.355 11.803 -1.506 130 HG LEU 16 HG LEU 16 -11.702 12.081 0.468 131 HD11 LEU 16 HD11 LEU 16 -10.181 10.954 2.095 132 HD12 LEU 16 HD12 LEU 16 -8.957 10.711 0.801 133 HD13 LEU 16 HD13 LEU 16 -10.554 9.880 0.697 134 HD21 LEU 16 HD21 LEU 16 -8.861 13.281 0.591 135 HD22 LEU 16 HD22 LEU 16 -10.105 13.384 1.876 136 HD23 LEU 16 HD23 LEU 16 -10.378 14.220 0.306 137 H PHE 17 HN PHE 17 -12.296 11.638 -4.082 138 HA PHE 17 HA PHE 17 -10.280 11.715 -6.005 139 HB2 PHE 17 HB1 PHE 17 -12.714 10.421 -5.854 140 HB3 PHE 17 HB2 PHE 17 -13.183 11.687 -7.023 141 HD1 PHE 17 HD1 PHE 17 -9.838 11.273 -7.955 142 HD2 PHE 17 HD2 PHE 17 -13.474 8.986 -7.728 143 HE1 PHE 17 HE1 PHE 17 -9.018 9.816 -9.717 144 HE2 PHE 17 HE2 PHE 17 -12.670 7.552 -9.582 145 HZ PHE 17 HZ PHE 17 -10.429 7.957 -10.577 146 H ABA 18 HN AGL 18 -13.045 13.894 -5.527 147 HA ABA 18 HA AGL 18 -12.314 15.724 -7.568 148 HB3 ABA 18 HB2 AGL 18 -13.871 17.299 -6.131 149 HB2 ABA 18 HB1 AGL 18 -14.159 15.852 -5.130 150 HG3 ABA 18 HG AGL 18 -15.311 14.700 -6.975 151 H LEU 19 HN LEU 19 -11.356 15.580 -4.117 152 HA LEU 19 HA LEU 19 -9.999 18.116 -4.439 153 HB2 LEU 19 HB1 LEU 19 -11.330 17.442 -2.417 154 HB3 LEU 19 HB2 LEU 19 -10.078 16.239 -2.010 155 HG LEU 19 HG LEU 19 -10.058 18.388 -0.709 156 HD11 LEU 19 HD11 LEU 19 -7.980 16.970 -0.868 157 HD12 LEU 19 HD12 LEU 19 -7.668 18.719 -0.567 158 HD13 LEU 19 HD13 LEU 19 -7.395 18.039 -2.202 159 HD21 LEU 19 HD21 LEU 19 -9.177 20.482 -1.636 160 HD22 LEU 19 HD22 LEU 19 -10.641 19.979 -2.564 161 HD23 LEU 19 HD23 LEU 19 -8.989 19.740 -3.262 162 H VAL 20 HN VAL 20 -8.792 14.790 -3.518 163 HA VAL 20 HA VAL 20 -6.157 15.733 -3.165 164 HB VAL 20 HB VAL 20 -7.240 12.890 -3.427 165 HG11 VAL 20 HG11 VAL 20 -4.786 12.871 -3.904 166 HG12 VAL 20 HG12 VAL 20 -4.479 13.946 -2.490 167 HG13 VAL 20 HG13 VAL 20 -5.075 12.264 -2.242 168 HG21 VAL 20 HG21 VAL 20 -8.183 14.197 -1.490 169 HG22 VAL 20 HG22 VAL 20 -7.017 12.949 -0.915 170 HG23 VAL 20 HG23 VAL 20 -6.512 14.674 -1.000 171 H THR 21 HN THR 21 -7.646 13.793 -5.842 172 HA THR 21 HA THR 21 -5.195 14.378 -7.392 173 HB THR 21 HB THR 21 -5.876 12.851 -9.078 174 HG1 THR 21 HG1 THR 21 -8.073 13.031 -8.989 175 HG21 THR 21 HG21 THR 21 -6.275 11.595 -6.279 176 HG22 THR 21 HG22 THR 21 -4.679 11.961 -7.043 177 HG23 THR 21 HG23 THR 21 -5.785 10.747 -7.790 178 H LYS 22 HN LYS 22 -7.793 16.074 -6.673 179 HA LYS 22 HA LYS 22 -8.988 17.687 -7.585 180 HB2 LYS 22 HB1 LYS 22 -6.467 18.210 -7.640 181 HB3 LYS 22 HB2 LYS 22 -6.598 18.184 -9.402 182 HG2 LYS 22 HG1 LYS 22 -8.157 19.928 -7.366 183 HG3 LYS 22 HG2 LYS 22 -6.698 20.479 -8.218 184 HD2 LYS 22 HD1 LYS 22 -9.393 19.855 -9.615 185 HD3 LYS 22 HD2 LYS 22 -8.908 21.436 -8.981 186 HE2 LYS 22 HE1 LYS 22 -8.567 21.436 -11.380 187 HE3 LYS 22 HE2 LYS 22 -6.966 21.578 -10.555 188 HZ1 LYS 22 HZ1 LYS 22 -8.016 18.945 -11.316 189 HZ2 LYS 22 HZ2 LYS 22 -6.424 19.423 -11.135 190 HZ3 LYS 22 HZ3 LYS 22 -7.301 19.914 -12.515 191 H LYS 23 HN LYS 23 -10.142 15.438 -8.871 192 HA LYS 23 HA LYS 23 -10.204 16.292 -11.721 193 HB2 LYS 23 HB1 LYS 23 -10.591 14.186 -12.467 194 HB3 LYS 23 HB2 LYS 23 -9.298 14.024 -11.270 195 HG2 LYS 23 HG1 LYS 23 -10.543 12.773 -9.824 196 HG3 LYS 23 HG2 LYS 23 -12.102 13.546 -10.170 197 HD2 LYS 23 HD1 LYS 23 -10.733 11.758 -12.275 198 HD3 LYS 23 HD2 LYS 23 -11.659 11.070 -10.919 199 HE2 LYS 23 HE1 LYS 23 -13.098 11.157 -12.886 200 HE3 LYS 23 HE2 LYS 23 -13.732 12.231 -11.580 201 HZ1 LYS 23 HZ1 LYS 23 -13.828 13.235 -13.796 202 HZ2 LYS 23 HZ2 LYS 23 -12.139 13.156 -13.927 203 HZ3 LYS 23 HZ3 LYS 23 -12.859 14.118 -12.736 204 H ABA 24 HN AGL 24 -11.998 17.192 -9.311 205 HA ABA 24 HA AGL 24 -14.495 17.070 -10.899 206 HB3 ABA 24 HB2 AGL 24 -15.510 18.330 -8.924 207 HB2 ABA 24 HB1 AGL 24 -13.962 18.122 -8.064 208 HG3 ABA 24 HG AGL 24 -15.861 15.808 -9.027 Start of MODEL 9 1 H1 PHE 1 HN PHE 1 -0.158 2.565 -8.305 2 HA PHE 1 HA PHE 1 2.545 2.780 -7.632 3 HB2 PHE 1 HB1 PHE 1 2.296 4.693 -9.339 4 HB3 PHE 1 HB2 PHE 1 1.048 5.420 -8.271 5 HD1 PHE 1 HD1 PHE 1 1.786 6.975 -6.672 6 HD2 PHE 1 HD2 PHE 1 4.592 4.116 -8.207 7 HE1 PHE 1 HE1 PHE 1 3.597 8.073 -5.388 8 HE2 PHE 1 HE2 PHE 1 6.411 5.204 -6.920 9 HZ PHE 1 HZ PHE 1 5.912 7.185 -5.504 10 H LEU 2 HN LEU 2 2.751 3.229 -5.422 11 HA LEU 2 HA LEU 2 2.158 2.684 -3.366 12 HB2 LEU 2 HB1 LEU 2 -0.466 4.113 -4.022 13 HB3 LEU 2 HB2 LEU 2 -0.291 3.228 -2.501 14 HG LEU 2 HG LEU 2 0.026 5.562 -2.137 15 HD11 LEU 2 HD11 LEU 2 2.723 4.112 -1.778 16 HD12 LEU 2 HD12 LEU 2 1.290 4.001 -0.678 17 HD13 LEU 2 HD13 LEU 2 2.152 5.566 -0.886 18 HD21 LEU 2 HD21 LEU 2 0.885 6.236 -4.382 19 HD22 LEU 2 HD22 LEU 2 2.491 5.527 -3.972 20 HD23 LEU 2 HD23 LEU 2 1.856 6.920 -3.022 21 HA PRO 3 HA PRO 3 -0.573 -0.961 -3.899 22 HB2 PRO 3 HB1 PRO 3 -1.576 -1.437 -1.336 23 HB3 PRO 3 HB2 PRO 3 0.124 -1.827 -1.791 24 HG2 PRO 3 HG1 PRO 3 -0.873 0.749 -0.442 25 HG3 PRO 3 HG2 PRO 3 0.434 -0.369 0.138 26 HD2 PRO 3 HD1 PRO 3 1.013 1.881 -1.339 27 HD3 PRO 3 HD2 PRO 3 1.909 0.329 -1.660 28 H ILE 4 HN ILE 4 -3.083 -1.358 -3.036 29 HA ILE 4 HA ILE 4 -4.573 0.265 -4.533 30 HB ILE 4 HB ILE 4 -6.578 -0.697 -3.456 31 HG12 ILE 4 HG11 ILE 4 -4.569 -2.052 -1.539 32 HG13 ILE 4 HG12 ILE 4 -5.700 -0.736 -1.083 33 HG21 ILE 4 HG21 ILE 4 -5.251 -1.810 -5.286 34 HG22 ILE 4 HG22 ILE 4 -4.307 -2.714 -4.041 35 HG23 ILE 4 HG23 ILE 4 -6.077 -2.981 -4.208 36 HD11 ILE 4 HD1 ILE 4 -7.656 -2.202 -1.739 37 HD12 ILE 4 HD2 ILE 4 -6.510 -3.549 -2.080 38 HD13 ILE 4 HD3 ILE 4 -6.662 -2.899 -0.411 39 H LEU 5 HN LEU 5 -3.758 1.112 -1.273 40 HA LEU 5 HA LEU 5 -5.675 2.740 -0.365 41 HB2 LEU 5 HB1 LEU 5 -2.683 3.363 -0.316 42 HB3 LEU 5 HB2 LEU 5 -3.912 3.890 0.878 43 HG LEU 5 HG LEU 5 -2.978 0.994 0.362 44 HD11 LEU 5 HD11 LEU 5 -2.528 2.867 2.761 45 HD12 LEU 5 HD12 LEU 5 -1.295 2.425 1.521 46 HD13 LEU 5 HD13 LEU 5 -1.973 1.162 2.617 47 HD21 LEU 5 HD21 LEU 5 -5.355 0.921 1.069 48 HD22 LEU 5 HD22 LEU 5 -5.009 2.065 2.426 49 HD23 LEU 5 HD23 LEU 5 -4.293 0.416 2.427 50 H ALA 6 HN ALA 6 -3.344 3.839 -2.915 51 HA ALA 6 HA ALA 6 -4.274 6.513 -2.981 52 HB1 ALA 6 HB1 ALA 6 -2.984 4.722 -5.144 53 HB2 ALA 6 HB2 ALA 6 -3.138 6.516 -5.251 54 HB3 ALA 6 HB3 ALA 6 -2.107 5.770 -3.980 55 H SER 7 HN SER 7 -5.310 3.602 -4.832 56 HA SER 7 HA SER 7 -7.370 4.901 -6.288 57 HB2 SER 7 HB1 SER 7 -7.176 1.931 -5.502 58 HB3 SER 7 HB2 SER 7 -8.149 2.613 -6.848 59 HG SER 7 HG1 SER 7 -6.239 3.057 -7.927 60 H LEU 8 HN LEU 8 -7.290 3.229 -3.124 61 HA LEU 8 HA LEU 8 -10.093 3.319 -2.720 62 HB2 LEU 8 HB1 LEU 8 -7.812 3.198 -0.695 63 HB3 LEU 8 HB2 LEU 8 -9.542 3.098 -0.248 64 HG LEU 8 HG LEU 8 -8.085 1.107 -2.075 65 HD11 LEU 8 HD11 LEU 8 -8.304 -0.446 -0.128 66 HD12 LEU 8 HD12 LEU 8 -9.069 0.865 0.842 67 HD13 LEU 8 HD13 LEU 8 -7.352 1.022 0.321 68 HD21 LEU 8 HD21 LEU 8 -10.512 1.210 -2.665 69 HD22 LEU 8 HD22 LEU 8 -10.949 1.060 -0.915 70 HD23 LEU 8 HD23 LEU 8 -10.146 -0.305 -1.769 71 H ALA 9 HN ALA 9 -7.550 5.706 -1.970 72 HA ALA 9 HA ALA 9 -9.200 7.626 -0.823 73 HB1 ALA 9 HB1 ALA 9 -6.778 8.045 -2.684 74 HB2 ALA 9 HB2 ALA 9 -7.463 9.262 -1.545 75 HB3 ALA 9 HB3 ALA 9 -6.693 7.760 -0.912 76 H ALA 10 HN ALA 10 -8.561 7.025 -4.356 77 HA ALA 10 HA ALA 10 -10.414 8.898 -5.234 78 HB1 ALA 10 HB1 ALA 10 -10.025 6.113 -6.558 79 HB2 ALA 10 HB2 ALA 10 -10.390 7.676 -7.357 80 HB3 ALA 10 HB3 ALA 10 -8.765 7.374 -6.634 81 H LYS 11 HN LYS 11 -11.034 5.463 -4.518 82 HA LYS 11 HA LYS 11 -13.686 5.613 -5.496 83 HB2 LYS 11 HB1 LYS 11 -12.541 3.552 -5.771 84 HB3 LYS 11 HB2 LYS 11 -12.004 3.529 -4.072 85 HG2 LYS 11 HG1 LYS 11 -13.659 1.761 -4.475 86 HG3 LYS 11 HG2 LYS 11 -14.186 2.938 -3.253 87 HD2 LYS 11 HD1 LYS 11 -15.436 4.031 -5.463 88 HD3 LYS 11 HD2 LYS 11 -15.287 2.359 -6.045 89 HE2 LYS 11 HE1 LYS 11 -17.499 2.800 -4.948 90 HE3 LYS 11 HE2 LYS 11 -16.586 1.545 -4.017 91 HZ1 LYS 11 HZ1 LYS 11 -17.682 3.548 -2.792 92 HZ2 LYS 11 HZ2 LYS 11 -16.305 4.394 -3.323 93 HZ3 LYS 11 HZ3 LYS 11 -16.127 3.042 -2.340 94 H PHE 12 HN PHE 12 -12.461 5.596 -2.113 95 HA PHE 12 HA PHE 12 -15.276 5.886 -1.220 96 HB2 PHE 12 HB1 PHE 12 -12.712 4.900 0.144 97 HB3 PHE 12 HB2 PHE 12 -14.132 5.451 1.110 98 HD1 PHE 12 HD1 PHE 12 -16.366 4.444 0.751 99 HD2 PHE 12 HD2 PHE 12 -12.806 2.725 -0.912 100 HE1 PHE 12 HE1 PHE 12 -17.568 2.303 0.412 101 HE2 PHE 12 HE2 PHE 12 -14.006 0.579 -1.264 102 HZ PHE 12 HZ PHE 12 -16.391 0.371 -0.611 103 H GLY 13 HN GLY 13 -12.584 7.725 -1.984 104 HA2 GLY 13 HA1 GLY 13 -13.827 9.986 -0.533 105 HA3 GLY 13 HA2 GLY 13 -12.143 9.862 -1.136 106 HA PRO 14 HA PRO 14 -14.712 10.900 -4.952 107 HB2 PRO 14 HB1 PRO 14 -17.332 11.820 -4.547 108 HB3 PRO 14 HB2 PRO 14 -16.931 10.104 -4.928 109 HG2 PRO 14 HG1 PRO 14 -17.388 11.318 -2.147 110 HG3 PRO 14 HG2 PRO 14 -18.133 9.819 -2.849 111 HD2 PRO 14 HD1 PRO 14 -15.925 9.681 -1.209 112 HD3 PRO 14 HD2 PRO 14 -16.045 8.602 -2.668 113 H LYS 15 HN LYS 15 -15.253 12.350 -1.754 114 HA LYS 15 HA LYS 15 -14.553 15.003 -2.591 115 HB2 LYS 15 HB1 LYS 15 -14.298 13.601 0.137 116 HB3 LYS 15 HB2 LYS 15 -13.808 15.287 -0.170 117 HG2 LYS 15 HG1 LYS 15 -15.795 15.952 0.406 118 HG3 LYS 15 HG2 LYS 15 -16.402 15.359 -1.162 119 HD2 LYS 15 HD1 LYS 15 -17.110 13.220 -0.094 120 HD3 LYS 15 HD2 LYS 15 -16.254 13.674 1.423 121 HE2 LYS 15 HE1 LYS 15 -17.819 15.663 1.692 122 HE3 LYS 15 HE2 LYS 15 -18.750 15.093 0.253 123 HZ1 LYS 15 HZ1 LYS 15 -18.309 13.563 2.781 124 HZ2 LYS 15 HZ2 LYS 15 -19.216 13.037 1.448 125 HZ3 LYS 15 HZ3 LYS 15 -19.721 14.379 2.348 126 H LEU 16 HN LEU 16 -12.499 12.198 -1.437 127 HA LEU 16 HA LEU 16 -10.177 13.794 -1.486 128 HB2 LEU 16 HB1 LEU 16 -10.421 10.769 -1.375 129 HB3 LEU 16 HB2 LEU 16 -8.868 11.626 -1.458 130 HG LEU 16 HG LEU 16 -9.350 10.961 0.802 131 HD11 LEU 16 HD11 LEU 16 -9.389 14.032 0.539 132 HD12 LEU 16 HD12 LEU 16 -7.939 12.965 0.385 133 HD13 LEU 16 HD13 LEU 16 -8.819 13.070 1.947 134 HD21 LEU 16 HD21 LEU 16 -11.725 12.920 0.855 135 HD22 LEU 16 HD22 LEU 16 -11.057 11.977 2.229 136 HD23 LEU 16 HD23 LEU 16 -11.845 11.106 0.865 137 H PHE 17 HN PHE 17 -11.463 11.615 -4.129 138 HA PHE 17 HA PHE 17 -9.165 12.411 -5.677 139 HB2 PHE 17 HB1 PHE 17 -11.284 10.478 -6.050 140 HB3 PHE 17 HB2 PHE 17 -11.334 11.563 -7.466 141 HD1 PHE 17 HD1 PHE 17 -10.351 10.349 -9.200 142 HD2 PHE 17 HD2 PHE 17 -8.343 10.390 -5.392 143 HE1 PHE 17 HE1 PHE 17 -8.452 9.071 -10.167 144 HE2 PHE 17 HE2 PHE 17 -6.465 9.155 -6.361 145 HZ PHE 17 HZ PHE 17 -6.503 8.479 -8.742 146 H ABA 18 HN AGL 18 -12.262 14.015 -5.183 147 HA ABA 18 HA AGL 18 -11.794 15.882 -7.297 148 HB3 ABA 18 HB2 AGL 18 -13.231 17.436 -5.736 149 HB2 ABA 18 HB1 AGL 18 -13.432 15.990 -4.715 150 HG3 ABA 18 HG AGL 18 -14.745 14.841 -6.448 151 H LEU 19 HN LEU 19 -10.698 15.789 -3.864 152 HA LEU 19 HA LEU 19 -9.322 18.305 -4.265 153 HB2 LEU 19 HB1 LEU 19 -9.355 16.343 -1.915 154 HB3 LEU 19 HB2 LEU 19 -8.539 17.942 -1.898 155 HG LEU 19 HG LEU 19 -11.555 17.504 -2.294 156 HD11 LEU 19 HD11 LEU 19 -11.754 18.416 0.022 157 HD12 LEU 19 HD12 LEU 19 -9.958 18.491 0.153 158 HD13 LEU 19 HD13 LEU 19 -10.781 16.894 -0.001 159 HD21 LEU 19 HD21 LEU 19 -9.902 20.087 -1.939 160 HD22 LEU 19 HD22 LEU 19 -11.701 19.991 -1.888 161 HD23 LEU 19 HD23 LEU 19 -10.826 19.598 -3.409 162 H VAL 20 HN VAL 20 -8.087 14.979 -3.504 163 HA VAL 20 HA VAL 20 -5.391 15.819 -3.517 164 HB VAL 20 HB VAL 20 -6.601 13.016 -3.681 165 HG11 VAL 20 HG11 VAL 20 -4.218 12.946 -4.412 166 HG12 VAL 20 HG12 VAL 20 -3.731 13.978 -3.015 167 HG13 VAL 20 HG13 VAL 20 -4.349 12.307 -2.742 168 HG21 VAL 20 HG21 VAL 20 -7.319 14.264 -1.628 169 HG22 VAL 20 HG22 VAL 20 -6.103 13.007 -1.204 170 HG23 VAL 20 HG23 VAL 20 -5.606 14.735 -1.304 171 H THR 21 HN THR 21 -7.392 14.111 -5.935 172 HA THR 21 HA THR 21 -5.098 14.345 -7.815 173 HB THR 21 HB THR 21 -7.230 12.206 -7.906 174 HG1 THR 21 HG1 THR 21 -4.605 12.234 -6.833 175 HG21 THR 21 HG21 THR 21 -5.406 11.005 -9.219 176 HG22 THR 21 HG22 THR 21 -4.418 12.512 -9.205 177 HG23 THR 21 HG23 THR 21 -5.995 12.462 -10.083 178 H LYS 22 HN LYS 22 -7.646 16.031 -7.169 179 HA LYS 22 HA LYS 22 -8.919 17.460 -8.249 180 HB2 LYS 22 HB1 LYS 22 -6.369 17.873 -8.769 181 HB3 LYS 22 HB2 LYS 22 -6.851 17.631 -10.459 182 HG2 LYS 22 HG1 LYS 22 -7.991 19.665 -8.420 183 HG3 LYS 22 HG2 LYS 22 -6.744 20.057 -9.626 184 HD2 LYS 22 HD1 LYS 22 -9.663 19.234 -10.223 185 HD3 LYS 22 HD2 LYS 22 -9.081 20.908 -10.174 186 HE2 LYS 22 HE1 LYS 22 -8.131 18.760 -12.213 187 HE3 LYS 22 HE2 LYS 22 -9.381 20.026 -12.511 188 HZ1 LYS 22 HZ1 LYS 22 -6.538 20.497 -11.787 189 HZ2 LYS 22 HZ2 LYS 22 -7.705 21.699 -12.082 190 HZ3 LYS 22 HZ3 LYS 22 -7.221 20.659 -13.334 191 H LYS 23 HN LYS 23 -10.202 15.153 -8.843 192 HA LYS 23 HA LYS 23 -10.898 15.460 -11.712 193 HB2 LYS 23 HB1 LYS 23 -11.387 13.111 -9.827 194 HB3 LYS 23 HB2 LYS 23 -11.912 13.201 -11.541 195 HG2 LYS 23 HG1 LYS 23 -9.009 13.196 -10.513 196 HG3 LYS 23 HG2 LYS 23 -9.867 11.839 -11.316 197 HD2 LYS 23 HD1 LYS 23 -10.063 13.274 -13.426 198 HD3 LYS 23 HD2 LYS 23 -9.218 14.593 -12.573 199 HE2 LYS 23 HE1 LYS 23 -7.589 13.595 -14.001 200 HE3 LYS 23 HE2 LYS 23 -7.162 13.166 -12.298 201 HZ1 LYS 23 HZ1 LYS 23 -8.225 11.027 -12.648 202 HZ2 LYS 23 HZ2 LYS 23 -6.998 11.281 -13.798 203 HZ3 LYS 23 HZ3 LYS 23 -8.625 11.442 -14.244 204 H ABA 24 HN AGL 24 -11.762 17.217 -9.466 205 HA ABA 24 HA AGL 24 -14.559 17.230 -10.398 206 HB3 ABA 24 HB2 AGL 24 -15.182 18.516 -8.313 207 HB2 ABA 24 HB1 AGL 24 -13.526 18.256 -7.687 208 HG3 ABA 24 HG AGL 24 -15.570 15.973 -8.372 Start of MODEL 10 1 H1 PHE 1 HN PHE 1 4.572 1.240 -6.696 2 HA PHE 1 HA PHE 1 6.030 3.157 -5.095 3 HB2 PHE 1 HB1 PHE 1 5.287 3.678 -7.479 4 HB3 PHE 1 HB2 PHE 1 3.577 3.572 -6.969 5 HD1 PHE 1 HD1 PHE 1 2.545 5.613 -6.292 6 HD2 PHE 1 HD2 PHE 1 6.827 5.290 -6.125 7 HE1 PHE 1 HE1 PHE 1 2.697 7.990 -5.629 8 HE2 PHE 1 HE2 PHE 1 6.980 7.677 -5.478 9 HZ PHE 1 HZ PHE 1 4.913 9.026 -5.219 10 H LEU 2 HN LEU 2 2.620 3.693 -5.345 11 HA LEU 2 HA LEU 2 2.081 2.429 -2.762 12 HB2 LEU 2 HB1 LEU 2 2.046 4.994 -2.573 13 HB3 LEU 2 HB2 LEU 2 0.851 5.027 -3.898 14 HG LEU 2 HG LEU 2 -0.702 3.617 -2.408 15 HD11 LEU 2 HD11 LEU 2 0.986 2.692 -0.795 16 HD12 LEU 2 HD12 LEU 2 -0.220 3.709 0.082 17 HD13 LEU 2 HD13 LEU 2 1.414 4.362 -0.278 18 HD21 LEU 2 HD21 LEU 2 -1.429 5.554 -1.035 19 HD22 LEU 2 HD22 LEU 2 -0.970 6.088 -2.696 20 HD23 LEU 2 HD23 LEU 2 0.154 6.368 -1.316 21 HA PRO 3 HA PRO 3 -0.578 1.005 -6.128 22 HB2 PRO 3 HB1 PRO 3 -1.305 -1.417 -5.181 23 HB3 PRO 3 HB2 PRO 3 0.428 -0.968 -5.201 24 HG2 PRO 3 HG1 PRO 3 -1.438 -0.758 -2.762 25 HG3 PRO 3 HG2 PRO 3 0.157 -1.607 -2.886 26 HD2 PRO 3 HD1 PRO 3 -0.119 1.054 -2.008 27 HD3 PRO 3 HD2 PRO 3 1.351 0.416 -2.873 28 H ILE 4 HN ILE 4 -2.867 -0.721 -4.641 29 HA ILE 4 HA ILE 4 -4.999 0.748 -5.366 30 HB ILE 4 HB ILE 4 -6.397 -0.714 -3.991 31 HG12 ILE 4 HG11 ILE 4 -3.758 -1.923 -2.944 32 HG13 ILE 4 HG12 ILE 4 -4.849 -0.871 -1.982 33 HG21 ILE 4 HG21 ILE 4 -5.811 -2.753 -5.229 34 HG22 ILE 4 HG22 ILE 4 -5.509 -1.323 -6.269 35 HG23 ILE 4 HG23 ILE 4 -4.126 -2.183 -5.491 36 HD11 ILE 4 HD1 ILE 4 -5.309 -3.226 -1.435 37 HD12 ILE 4 HD2 ILE 4 -6.728 -2.524 -2.291 38 HD13 ILE 4 HD3 ILE 4 -5.599 -3.625 -3.165 39 H LEU 5 HN LEU 5 -3.287 1.300 -2.351 40 HA LEU 5 HA LEU 5 -5.379 2.458 -0.920 41 HB2 LEU 5 HB1 LEU 5 -2.405 3.159 -0.791 42 HB3 LEU 5 HB2 LEU 5 -3.630 3.442 0.488 43 HG LEU 5 HG LEU 5 -2.663 0.697 -0.541 44 HD11 LEU 5 HD11 LEU 5 -0.975 1.839 0.866 45 HD12 LEU 5 HD12 LEU 5 -1.712 0.457 1.753 46 HD13 LEU 5 HD13 LEU 5 -2.217 2.139 2.141 47 HD21 LEU 5 HD21 LEU 5 -5.032 0.470 0.124 48 HD22 LEU 5 HD22 LEU 5 -4.717 1.369 1.662 49 HD23 LEU 5 HD23 LEU 5 -3.982 -0.250 1.390 50 H ALA 6 HN ALA 6 -3.317 3.984 -3.424 51 HA ALA 6 HA ALA 6 -4.345 6.612 -3.099 52 HB1 ALA 6 HB1 ALA 6 -3.474 6.879 -5.468 53 HB2 ALA 6 HB2 ALA 6 -2.270 6.048 -4.418 54 HB3 ALA 6 HB3 ALA 6 -3.261 5.088 -5.565 55 H SER 7 HN SER 7 -5.388 3.822 -5.129 56 HA SER 7 HA SER 7 -7.614 5.059 -6.294 57 HB2 SER 7 HB1 SER 7 -7.319 2.064 -5.678 58 HB3 SER 7 HB2 SER 7 -8.317 2.809 -6.971 59 HG SER 7 HG1 SER 7 -6.452 3.279 -8.073 60 H LEU 8 HN LEU 8 -7.338 3.191 -3.239 61 HA LEU 8 HA LEU 8 -10.103 3.232 -2.673 62 HB2 LEU 8 HB1 LEU 8 -7.681 2.985 -0.824 63 HB3 LEU 8 HB2 LEU 8 -9.372 2.846 -0.252 64 HG LEU 8 HG LEU 8 -8.079 1.003 -2.339 65 HD11 LEU 8 HD11 LEU 8 -8.786 0.509 0.625 66 HD12 LEU 8 HD12 LEU 8 -7.127 0.753 -0.028 67 HD13 LEU 8 HD13 LEU 8 -8.088 -0.694 -0.522 68 HD21 LEU 8 HD21 LEU 8 -10.551 1.144 -2.684 69 HD22 LEU 8 HD22 LEU 8 -10.816 0.857 -0.915 70 HD23 LEU 8 HD23 LEU 8 -10.106 -0.437 -1.948 71 H ALA 9 HN ALA 9 -7.516 5.566 -1.810 72 HA ALA 9 HA ALA 9 -9.177 7.361 -0.462 73 HB1 ALA 9 HB1 ALA 9 -6.675 7.507 -0.531 74 HB2 ALA 9 HB2 ALA 9 -6.747 7.912 -2.279 75 HB3 ALA 9 HB3 ALA 9 -7.430 9.055 -1.059 76 H ALA 10 HN ALA 10 -8.500 7.043 -3.978 77 HA ALA 10 HA ALA 10 -10.153 9.082 -4.840 78 HB1 ALA 10 HB1 ALA 10 -8.453 7.623 -6.178 79 HB2 ALA 10 HB2 ALA 10 -9.720 6.358 -6.277 80 HB3 ALA 10 HB3 ALA 10 -10.010 7.952 -7.037 81 H LYS 11 HN LYS 11 -11.038 5.644 -4.391 82 HA LYS 11 HA LYS 11 -13.678 6.092 -5.419 83 HB2 LYS 11 HB1 LYS 11 -12.427 4.026 -5.842 84 HB3 LYS 11 HB2 LYS 11 -12.357 3.644 -4.103 85 HG2 LYS 11 HG1 LYS 11 -15.072 4.020 -5.467 86 HG3 LYS 11 HG2 LYS 11 -14.160 2.511 -5.775 87 HD2 LYS 11 HD1 LYS 11 -14.207 1.827 -3.471 88 HD3 LYS 11 HD2 LYS 11 -14.686 3.450 -2.910 89 HE2 LYS 11 HE1 LYS 11 -16.916 3.131 -4.229 90 HE3 LYS 11 HE2 LYS 11 -16.462 1.380 -4.325 91 HZ1 LYS 11 HZ1 LYS 11 -17.773 1.740 -2.378 92 HZ2 LYS 11 HZ2 LYS 11 -16.822 3.059 -1.892 93 HZ3 LYS 11 HZ3 LYS 11 -16.173 1.510 -1.846 94 H PHE 12 HN PHE 12 -12.408 5.472 -2.078 95 HA PHE 12 HA PHE 12 -15.164 5.556 -1.090 96 HB2 PHE 12 HB1 PHE 12 -12.454 4.951 0.209 97 HB3 PHE 12 HB2 PHE 12 -13.885 5.361 1.214 98 HD1 PHE 12 HD1 PHE 12 -15.854 3.985 1.288 99 HD2 PHE 12 HD2 PHE 12 -12.405 2.792 -0.961 100 HE1 PHE 12 HE1 PHE 12 -16.679 1.652 1.283 101 HE2 PHE 12 HE2 PHE 12 -13.233 0.449 -0.989 102 HZ PHE 12 HZ PHE 12 -15.368 -0.124 0.143 103 H GLY 13 HN GLY 13 -12.479 7.701 -1.540 104 HA2 GLY 13 HA1 GLY 13 -14.166 9.839 -0.383 105 HA3 GLY 13 HA2 GLY 13 -12.408 9.887 -0.747 106 HA PRO 14 HA PRO 14 -14.491 10.649 -4.906 107 HB2 PRO 14 HB1 PRO 14 -17.187 11.399 -4.888 108 HB3 PRO 14 HB2 PRO 14 -16.648 9.692 -5.127 109 HG2 PRO 14 HG1 PRO 14 -17.548 10.981 -2.492 110 HG3 PRO 14 HG2 PRO 14 -18.106 9.419 -3.224 111 HD2 PRO 14 HD1 PRO 14 -16.126 9.481 -1.298 112 HD3 PRO 14 HD2 PRO 14 -16.030 8.321 -2.693 113 H LYS 15 HN LYS 15 -15.578 12.002 -1.853 114 HA LYS 15 HA LYS 15 -15.077 14.735 -2.368 115 HB2 LYS 15 HB1 LYS 15 -14.664 13.064 0.192 116 HB3 LYS 15 HB2 LYS 15 -14.652 14.853 0.130 117 HG2 LYS 15 HG1 LYS 15 -17.026 14.896 -0.550 118 HG3 LYS 15 HG2 LYS 15 -17.095 13.103 -0.567 119 HD2 LYS 15 HD1 LYS 15 -16.528 13.026 1.857 120 HD3 LYS 15 HD2 LYS 15 -16.375 14.813 1.897 121 HE2 LYS 15 HE1 LYS 15 -18.821 15.063 1.379 122 HE3 LYS 15 HE2 LYS 15 -18.995 13.265 1.294 123 HZ1 LYS 15 HZ1 LYS 15 -19.657 14.160 3.444 124 HZ2 LYS 15 HZ2 LYS 15 -18.119 14.815 3.694 125 HZ3 LYS 15 HZ3 LYS 15 -18.320 13.139 3.609 126 H LEU 16 HN LEU 16 -12.820 12.076 -1.304 127 HA LEU 16 HA LEU 16 -10.602 13.837 -1.117 128 HB2 LEU 16 HB1 LEU 16 -10.627 10.806 -1.372 129 HB3 LEU 16 HB2 LEU 16 -9.186 11.797 -1.015 130 HG LEU 16 HG LEU 16 -11.664 11.649 0.796 131 HD11 LEU 16 HD11 LEU 16 -8.900 10.303 1.051 132 HD12 LEU 16 HD12 LEU 16 -10.441 9.465 0.642 133 HD13 LEU 16 HD13 LEU 16 -10.229 10.232 2.263 134 HD21 LEU 16 HD21 LEU 16 -8.870 12.893 1.235 135 HD22 LEU 16 HD22 LEU 16 -10.140 12.714 2.494 136 HD23 LEU 16 HD23 LEU 16 -10.422 13.802 1.088 137 H PHE 17 HN PHE 17 -11.640 11.631 -3.836 138 HA PHE 17 HA PHE 17 -9.396 12.433 -5.348 139 HB2 PHE 17 HB1 PHE 17 -11.362 10.494 -5.717 140 HB3 PHE 17 HB2 PHE 17 -11.836 11.677 -6.967 141 HD1 PHE 17 HD1 PHE 17 -11.092 10.789 -9.007 142 HD2 PHE 17 HD2 PHE 17 -8.436 10.520 -5.640 143 HE1 PHE 17 HE1 PHE 17 -9.358 9.726 -10.437 144 HE2 PHE 17 HE2 PHE 17 -6.736 9.449 -7.060 145 HZ PHE 17 HZ PHE 17 -7.174 9.074 -9.464 146 H ABA 18 HN AGL 18 -12.602 13.955 -5.074 147 HA ABA 18 HA AGL 18 -12.101 15.972 -6.989 148 HB3 ABA 18 HB2 AGL 18 -13.801 17.305 -5.514 149 HB2 ABA 18 HB1 AGL 18 -13.914 15.829 -4.526 150 HG3 ABA 18 HG AGL 18 -14.961 14.569 -6.369 151 H LEU 19 HN LEU 19 -11.129 15.784 -3.519 152 HA LEU 19 HA LEU 19 -9.970 18.446 -3.784 153 HB2 LEU 19 HB1 LEU 19 -10.463 16.503 -1.539 154 HB3 LEU 19 HB2 LEU 19 -9.083 17.623 -1.337 155 HG LEU 19 HG LEU 19 -11.101 18.480 -0.278 156 HD11 LEU 19 HD11 LEU 19 -9.326 20.037 -1.127 157 HD12 LEU 19 HD12 LEU 19 -10.962 20.794 -1.112 158 HD13 LEU 19 HD13 LEU 19 -10.243 20.240 -2.664 159 HD21 LEU 19 HD21 LEU 19 -12.845 17.578 -1.844 160 HD22 LEU 19 HD22 LEU 19 -12.327 18.771 -3.094 161 HD23 LEU 19 HD23 LEU 19 -13.033 19.350 -1.542 162 H VAL 20 HN VAL 20 -8.522 15.205 -3.064 163 HA VAL 20 HA VAL 20 -5.886 16.215 -2.969 164 HB VAL 20 HB VAL 20 -6.931 13.357 -3.301 165 HG11 VAL 20 HG11 VAL 20 -4.120 14.428 -2.555 166 HG12 VAL 20 HG12 VAL 20 -4.655 12.717 -2.366 167 HG13 VAL 20 HG13 VAL 20 -4.547 13.439 -4.003 168 HG21 VAL 20 HG21 VAL 20 -6.471 13.235 -0.822 169 HG22 VAL 20 HG22 VAL 20 -6.054 14.985 -0.817 170 HG23 VAL 20 HG23 VAL 20 -7.740 14.454 -1.193 171 H THR 21 HN THR 21 -7.698 14.448 -5.488 172 HA THR 21 HA THR 21 -5.362 14.727 -7.276 173 HB THR 21 HB THR 21 -7.799 12.983 -7.736 174 HG1 THR 21 HG1 THR 21 -6.485 11.387 -6.872 175 HG21 THR 21 HG21 THR 21 -6.338 13.263 -9.772 176 HG22 THR 21 HG22 THR 21 -6.051 11.642 -9.065 177 HG23 THR 21 HG23 THR 21 -4.868 12.968 -8.765 178 H LYS 22 HN LYS 22 -7.948 16.470 -6.561 179 HA LYS 22 HA LYS 22 -9.346 17.871 -7.470 180 HB2 LYS 22 HB1 LYS 22 -8.468 19.590 -8.842 181 HB3 LYS 22 HB2 LYS 22 -7.259 19.084 -7.623 182 HG2 LYS 22 HG1 LYS 22 -5.945 17.888 -9.321 183 HG3 LYS 22 HG2 LYS 22 -7.255 18.092 -10.530 184 HD2 LYS 22 HD1 LYS 22 -6.897 20.694 -10.106 185 HD3 LYS 22 HD2 LYS 22 -5.290 20.195 -9.502 186 HE2 LYS 22 HE1 LYS 22 -6.547 19.728 -12.303 187 HE3 LYS 22 HE2 LYS 22 -5.107 20.755 -11.922 188 HZ1 LYS 22 HZ1 LYS 22 -3.927 18.760 -11.272 189 HZ2 LYS 22 HZ2 LYS 22 -4.543 18.564 -12.848 190 HZ3 LYS 22 HZ3 LYS 22 -5.307 17.816 -11.525 191 H LYS 23 HN LYS 23 -10.237 15.432 -8.446 192 HA LYS 23 HA LYS 23 -10.748 15.915 -11.308 193 HB2 LYS 23 HB1 LYS 23 -11.207 13.457 -9.576 194 HB3 LYS 23 HB2 LYS 23 -11.765 13.611 -11.268 195 HG2 LYS 23 HG1 LYS 23 -9.109 14.380 -11.558 196 HG3 LYS 23 HG2 LYS 23 -8.982 13.241 -10.196 197 HD2 LYS 23 HD1 LYS 23 -8.626 11.965 -12.198 198 HD3 LYS 23 HD2 LYS 23 -10.274 11.531 -11.622 199 HE2 LYS 23 HE1 LYS 23 -11.276 13.093 -13.358 200 HE3 LYS 23 HE2 LYS 23 -9.613 13.541 -13.900 201 HZ1 LYS 23 HZ1 LYS 23 -9.252 11.232 -14.519 202 HZ2 LYS 23 HZ2 LYS 23 -10.611 11.865 -15.304 203 HZ3 LYS 23 HZ3 LYS 23 -10.811 10.810 -13.997 204 H ABA 24 HN AGL 24 -12.152 17.475 -9.056 205 HA ABA 24 HA AGL 24 -14.842 17.122 -10.231 206 HB3 ABA 24 HB2 AGL 24 -15.765 18.215 -8.142 207 HB2 ABA 24 HB1 AGL 24 -14.128 18.154 -7.426 208 HG3 ABA 24 HG AGL 24 -15.808 15.653 -8.313 Start of MODEL 11 1 H1 PHE 1 HN PHE 1 0.552 3.648 -8.424 2 HA PHE 1 HA PHE 1 3.055 2.899 -7.555 3 HB2 PHE 1 HB1 PHE 1 3.715 5.165 -8.519 4 HB3 PHE 1 HB2 PHE 1 2.491 5.944 -7.453 5 HD1 PHE 1 HD1 PHE 1 3.140 6.608 -5.289 6 HD2 PHE 1 HD2 PHE 1 5.510 3.683 -7.347 7 HE1 PHE 1 HE1 PHE 1 4.753 6.605 -3.410 8 HE2 PHE 1 HE2 PHE 1 7.131 3.671 -5.471 9 HZ PHE 1 HZ PHE 1 6.747 5.127 -3.492 10 H LEU 2 HN LEU 2 3.208 3.194 -5.185 11 HA LEU 2 HA LEU 2 2.441 2.668 -3.205 12 HB2 LEU 2 HB1 LEU 2 1.126 4.909 -3.622 13 HB3 LEU 2 HB2 LEU 2 -0.297 3.869 -3.853 14 HG LEU 2 HG LEU 2 -0.041 3.045 -1.485 15 HD11 LEU 2 HD11 LEU 2 1.479 4.290 0.082 16 HD12 LEU 2 HD12 LEU 2 2.170 5.210 -1.303 17 HD13 LEU 2 HD13 LEU 2 2.456 3.434 -1.164 18 HD21 LEU 2 HD21 LEU 2 -0.174 6.104 -1.794 19 HD22 LEU 2 HD22 LEU 2 -0.796 5.148 -0.396 20 HD23 LEU 2 HD23 LEU 2 -1.533 4.944 -2.031 21 HA PRO 3 HA PRO 3 -0.446 -0.801 -4.125 22 HB2 PRO 3 HB1 PRO 3 -1.611 -1.378 -1.607 23 HB3 PRO 3 HB2 PRO 3 0.014 -1.946 -2.135 24 HG2 PRO 3 HG1 PRO 3 -0.621 0.582 -0.509 25 HG3 PRO 3 HG2 PRO 3 0.543 -0.748 -0.088 26 HD2 PRO 3 HD1 PRO 3 1.461 1.511 -1.305 27 HD3 PRO 3 HD2 PRO 3 2.017 -0.102 -1.937 28 H ILE 4 HN ILE 4 -2.959 -1.229 -3.350 29 HA ILE 4 HA ILE 4 -4.419 0.472 -4.798 30 HB ILE 4 HB ILE 4 -6.441 -0.577 -3.823 31 HG12 ILE 4 HG11 ILE 4 -4.455 -2.040 -1.963 32 HG13 ILE 4 HG12 ILE 4 -5.610 -0.771 -1.442 33 HG21 ILE 4 HG21 ILE 4 -5.900 -2.802 -4.717 34 HG22 ILE 4 HG22 ILE 4 -5.071 -1.551 -5.698 35 HG23 ILE 4 HG23 ILE 4 -4.136 -2.526 -4.500 36 HD11 ILE 4 HD1 ILE 4 -6.365 -3.517 -2.642 37 HD12 ILE 4 HD2 ILE 4 -6.557 -2.984 -0.936 38 HD13 ILE 4 HD3 ILE 4 -7.535 -2.210 -2.233 39 H LEU 5 HN LEU 5 -3.710 1.056 -1.454 40 HA LEU 5 HA LEU 5 -5.562 2.643 -0.430 41 HB2 LEU 5 HB1 LEU 5 -2.573 3.277 -0.474 42 HB3 LEU 5 HB2 LEU 5 -3.751 3.767 0.788 43 HG LEU 5 HG LEU 5 -2.842 0.893 0.132 44 HD11 LEU 5 HD11 LEU 5 -1.751 0.986 2.352 45 HD12 LEU 5 HD12 LEU 5 -2.305 2.683 2.575 46 HD13 LEU 5 HD13 LEU 5 -1.120 2.290 1.274 47 HD21 LEU 5 HD21 LEU 5 -4.089 0.240 2.219 48 HD22 LEU 5 HD22 LEU 5 -5.196 0.804 0.921 49 HD23 LEU 5 HD23 LEU 5 -4.793 1.892 2.306 50 H ALA 6 HN ALA 6 -3.328 3.932 -2.978 51 HA ALA 6 HA ALA 6 -4.285 6.590 -2.849 52 HB1 ALA 6 HB1 ALA 6 -3.098 4.946 -5.185 53 HB2 ALA 6 HB2 ALA 6 -3.241 6.744 -5.156 54 HB3 ALA 6 HB3 ALA 6 -2.153 5.904 -3.997 55 H SER 7 HN SER 7 -5.323 3.810 -4.888 56 HA SER 7 HA SER 7 -7.469 5.164 -6.154 57 HB2 SER 7 HB1 SER 7 -7.116 2.144 -5.687 58 HB3 SER 7 HB2 SER 7 -8.179 2.911 -6.915 59 HG SER 7 HG1 SER 7 -6.379 3.485 -8.057 60 H LEU 8 HN LEU 8 -7.206 3.277 -3.122 61 HA LEU 8 HA LEU 8 -10.016 3.240 -2.659 62 HB2 LEU 8 HB1 LEU 8 -7.711 3.044 -0.666 63 HB3 LEU 8 HB2 LEU 8 -9.435 2.842 -0.234 64 HG LEU 8 HG LEU 8 -7.887 1.053 -2.188 65 HD11 LEU 8 HD11 LEU 8 -8.103 -0.658 -0.375 66 HD12 LEU 8 HD12 LEU 8 -8.918 0.551 0.681 67 HD13 LEU 8 HD13 LEU 8 -7.197 0.793 0.205 68 HD21 LEU 8 HD21 LEU 8 -10.773 0.836 -1.105 69 HD22 LEU 8 HD22 LEU 8 -9.909 -0.447 -2.027 70 HD23 LEU 8 HD23 LEU 8 -10.296 1.114 -2.831 71 H ALA 9 HN ALA 9 -7.507 5.606 -1.684 72 HA ALA 9 HA ALA 9 -9.215 7.384 -0.391 73 HB1 ALA 9 HB1 ALA 9 -6.733 7.952 -2.136 74 HB2 ALA 9 HB2 ALA 9 -7.451 9.088 -0.933 75 HB3 ALA 9 HB3 ALA 9 -6.707 7.542 -0.386 76 H ALA 10 HN ALA 10 -8.400 7.117 -3.881 77 HA ALA 10 HA ALA 10 -10.045 9.134 -4.816 78 HB1 ALA 10 HB1 ALA 10 -9.453 6.367 -6.108 79 HB2 ALA 10 HB2 ALA 10 -9.901 7.858 -6.977 80 HB3 ALA 10 HB3 ALA 10 -8.315 7.756 -6.113 81 H LYS 11 HN LYS 11 -10.917 5.664 -4.386 82 HA LYS 11 HA LYS 11 -13.537 6.081 -5.431 83 HB2 LYS 11 HB1 LYS 11 -12.282 4.010 -5.740 84 HB3 LYS 11 HB2 LYS 11 -12.235 3.701 -3.987 85 HG2 LYS 11 HG1 LYS 11 -14.933 3.985 -5.411 86 HG3 LYS 11 HG2 LYS 11 -13.990 2.479 -5.632 87 HD2 LYS 11 HD1 LYS 11 -13.998 1.973 -3.252 88 HD3 LYS 11 HD2 LYS 11 -14.672 3.577 -2.849 89 HE2 LYS 11 HE1 LYS 11 -16.793 2.947 -4.184 90 HE3 LYS 11 HE2 LYS 11 -16.157 1.250 -4.210 91 HZ1 LYS 11 HZ1 LYS 11 -15.951 1.478 -1.738 92 HZ2 LYS 11 HZ2 LYS 11 -17.554 1.536 -2.306 93 HZ3 LYS 11 HZ3 LYS 11 -16.744 2.954 -1.840 94 H PHE 12 HN PHE 12 -12.361 5.617 -2.035 95 HA PHE 12 HA PHE 12 -15.138 5.750 -1.110 96 HB2 PHE 12 HB1 PHE 12 -12.440 5.212 0.248 97 HB3 PHE 12 HB2 PHE 12 -13.885 5.644 1.225 98 HD1 PHE 12 HD1 PHE 12 -15.870 4.267 1.272 99 HD2 PHE 12 HD2 PHE 12 -12.323 2.992 -0.771 100 HE1 PHE 12 HE1 PHE 12 -16.655 1.923 1.394 101 HE2 PHE 12 HE2 PHE 12 -13.110 0.639 -0.670 102 HZ PHE 12 HZ PHE 12 -15.267 0.101 0.433 103 H GLY 13 HN GLY 13 -12.459 7.870 -1.620 104 HA2 GLY 13 HA1 GLY 13 -14.102 10.055 -0.498 105 HA3 GLY 13 HA2 GLY 13 -12.351 10.072 -0.908 106 HA PRO 14 HA PRO 14 -14.497 10.736 -5.043 107 HB2 PRO 14 HB1 PRO 14 -17.178 11.563 -4.999 108 HB3 PRO 14 HB2 PRO 14 -16.677 9.848 -5.244 109 HG2 PRO 14 HG1 PRO 14 -17.510 11.171 -2.607 110 HG3 PRO 14 HG2 PRO 14 -18.109 9.612 -3.315 111 HD2 PRO 14 HD1 PRO 14 -16.109 9.628 -1.415 112 HD3 PRO 14 HD2 PRO 14 -16.025 8.486 -2.825 113 H LYS 15 HN LYS 15 -15.384 12.204 -1.987 114 HA LYS 15 HA LYS 15 -14.928 14.913 -2.673 115 HB2 LYS 15 HB1 LYS 15 -14.125 13.579 -0.005 116 HB3 LYS 15 HB2 LYS 15 -14.412 15.306 -0.329 117 HG2 LYS 15 HG1 LYS 15 -16.334 14.885 0.712 118 HG3 LYS 15 HG2 LYS 15 -16.907 14.456 -0.925 119 HD2 LYS 15 HD1 LYS 15 -16.669 12.064 -0.454 120 HD3 LYS 15 HD2 LYS 15 -15.711 12.358 1.022 121 HE2 LYS 15 HE1 LYS 15 -18.697 13.129 0.708 122 HE3 LYS 15 HE2 LYS 15 -18.100 11.594 1.454 123 HZ1 LYS 15 HZ1 LYS 15 -18.574 13.270 3.113 124 HZ2 LYS 15 HZ2 LYS 15 -17.468 14.346 2.417 125 HZ3 LYS 15 HZ3 LYS 15 -16.926 12.898 3.106 126 H LEU 16 HN LEU 16 -12.645 12.277 -1.684 127 HA LEU 16 HA LEU 16 -10.382 13.997 -1.685 128 HB2 LEU 16 HB1 LEU 16 -10.527 10.957 -1.724 129 HB3 LEU 16 HB2 LEU 16 -9.037 11.914 -1.483 130 HG LEU 16 HG LEU 16 -11.464 11.969 0.404 131 HD11 LEU 16 HD11 LEU 16 -10.292 9.755 0.382 132 HD12 LEU 16 HD12 LEU 16 -10.019 10.633 1.934 133 HD13 LEU 16 HD13 LEU 16 -8.722 10.585 0.687 134 HD21 LEU 16 HD21 LEU 16 -9.871 13.125 1.977 135 HD22 LEU 16 HD22 LEU 16 -10.176 14.111 0.503 136 HD23 LEU 16 HD23 LEU 16 -8.637 13.186 0.672 137 H PHE 17 HN PHE 17 -11.637 11.649 -4.172 138 HA PHE 17 HA PHE 17 -9.452 12.257 -5.847 139 HB2 PHE 17 HB1 PHE 17 -11.418 10.332 -5.970 140 HB3 PHE 17 HB2 PHE 17 -12.045 11.449 -7.218 141 HD1 PHE 17 HD1 PHE 17 -11.621 10.180 -9.171 142 HD2 PHE 17 HD2 PHE 17 -8.441 10.541 -6.303 143 HE1 PHE 17 HE1 PHE 17 -10.099 8.930 -10.672 144 HE2 PHE 17 HE2 PHE 17 -6.925 9.353 -7.827 145 HZ PHE 17 HZ PHE 17 -7.736 8.552 -10.018 146 H ABA 18 HN AGL 18 -12.618 13.889 -5.580 147 HA ABA 18 HA AGL 18 -12.043 15.768 -7.621 148 HB3 ABA 18 HB2 AGL 18 -13.706 17.244 -6.246 149 HB2 ABA 18 HB1 AGL 18 -13.864 15.842 -5.160 150 HG3 ABA 18 HG AGL 18 -14.981 14.512 -6.893 151 H LEU 19 HN LEU 19 -11.207 15.846 -4.089 152 HA LEU 19 HA LEU 19 -10.065 18.461 -4.474 153 HB2 LEU 19 HB1 LEU 19 -11.198 17.838 -2.373 154 HB3 LEU 19 HB2 LEU 19 -10.000 16.541 -2.093 155 HG LEU 19 HG LEU 19 -8.181 18.256 -1.886 156 HD11 LEU 19 HD11 LEU 19 -9.047 20.082 -3.321 157 HD12 LEU 19 HD12 LEU 19 -8.770 20.683 -1.652 158 HD13 LEU 19 HD13 LEU 19 -10.449 20.326 -2.206 159 HD21 LEU 19 HD21 LEU 19 -8.881 19.178 0.304 160 HD22 LEU 19 HD22 LEU 19 -9.395 17.459 0.130 161 HD23 LEU 19 HD23 LEU 19 -10.603 18.789 -0.061 162 H VAL 20 HN VAL 20 -8.544 15.287 -3.570 163 HA VAL 20 HA VAL 20 -5.936 16.422 -3.490 164 HB VAL 20 HB VAL 20 -6.834 13.494 -3.509 165 HG11 VAL 20 HG11 VAL 20 -4.569 13.102 -2.432 166 HG12 VAL 20 HG12 VAL 20 -4.427 13.664 -4.128 167 HG13 VAL 20 HG13 VAL 20 -4.130 14.816 -2.772 168 HG21 VAL 20 HG21 VAL 20 -6.175 15.449 -1.200 169 HG22 VAL 20 HG22 VAL 20 -7.806 14.769 -1.579 170 HG23 VAL 20 HG23 VAL 20 -6.484 13.685 -1.016 171 H THR 21 HN THR 21 -7.611 14.230 -5.777 172 HA THR 21 HA THR 21 -5.268 14.412 -7.550 173 HB THR 21 HB THR 21 -7.670 12.631 -7.985 174 HG1 THR 21 HG1 THR 21 -6.309 11.093 -6.918 175 HG21 THR 21 HG21 THR 21 -5.949 12.747 -9.866 176 HG22 THR 21 HG22 THR 21 -5.839 11.170 -9.024 177 HG23 THR 21 HG23 THR 21 -4.634 12.453 -8.663 178 H LYS 22 HN LYS 22 -7.964 16.179 -7.138 179 HA LYS 22 HA LYS 22 -9.209 17.544 -8.338 180 HB2 LYS 22 HB1 LYS 22 -6.671 18.167 -8.609 181 HB3 LYS 22 HB2 LYS 22 -6.956 17.877 -10.337 182 HG2 LYS 22 HG1 LYS 22 -8.476 19.816 -8.456 183 HG3 LYS 22 HG2 LYS 22 -7.133 20.310 -9.509 184 HD2 LYS 22 HD1 LYS 22 -9.888 19.254 -10.436 185 HD3 LYS 22 HD2 LYS 22 -9.438 20.968 -10.347 186 HE2 LYS 22 HE1 LYS 22 -8.143 18.871 -12.242 187 HE3 LYS 22 HE2 LYS 22 -9.387 20.098 -12.687 188 HZ1 LYS 22 HZ1 LYS 22 -7.828 21.821 -12.050 189 HZ2 LYS 22 HZ2 LYS 22 -7.160 20.806 -13.238 190 HZ3 LYS 22 HZ3 LYS 22 -6.671 20.653 -11.618 191 H LYS 23 HN LYS 23 -10.214 15.112 -9.019 192 HA LYS 23 HA LYS 23 -10.577 15.282 -11.957 193 HB2 LYS 23 HB1 LYS 23 -11.169 12.977 -10.060 194 HB3 LYS 23 HB2 LYS 23 -11.505 13.005 -11.817 195 HG2 LYS 23 HG1 LYS 23 -8.792 13.788 -11.724 196 HG3 LYS 23 HG2 LYS 23 -8.917 12.692 -10.336 197 HD2 LYS 23 HD1 LYS 23 -8.255 11.309 -12.189 198 HD3 LYS 23 HD2 LYS 23 -9.967 10.937 -11.843 199 HE2 LYS 23 HE1 LYS 23 -9.591 11.000 -14.283 200 HE3 LYS 23 HE2 LYS 23 -10.707 12.334 -13.801 201 HZ1 LYS 23 HZ1 LYS 23 -7.778 12.581 -14.302 202 HZ2 LYS 23 HZ2 LYS 23 -8.812 13.832 -13.818 203 HZ3 LYS 23 HZ3 LYS 23 -9.024 13.093 -15.333 204 H ABA 24 HN AGL 24 -11.963 16.907 -9.681 205 HA ABA 24 HA AGL 24 -14.614 16.699 -10.981 206 HB3 ABA 24 HB2 AGL 24 -15.512 18.021 -9.025 207 HB2 ABA 24 HB1 AGL 24 -13.902 17.927 -8.255 208 HG3 ABA 24 HG AGL 24 -15.718 15.463 -8.955 Start of MODEL 12 1 H1 PHE 1 HN PHE 1 3.339 2.234 -6.670 2 HA PHE 1 HA PHE 1 5.472 3.431 -5.084 3 HB2 PHE 1 HB1 PHE 1 4.508 5.705 -5.501 4 HB3 PHE 1 HB2 PHE 1 5.042 4.896 -7.010 5 HD1 PHE 1 HD1 PHE 1 3.207 3.708 -8.460 6 HD2 PHE 1 HD2 PHE 1 2.349 6.615 -5.414 7 HE1 PHE 1 HE1 PHE 1 0.962 4.065 -9.429 8 HE2 PHE 1 HE2 PHE 1 0.105 6.976 -6.392 9 HZ PHE 1 HZ PHE 1 -0.596 5.686 -8.392 10 H LEU 2 HN LEU 2 1.994 4.088 -5.179 11 HA LEU 2 HA LEU 2 1.645 2.727 -2.595 12 HB2 LEU 2 HB1 LEU 2 0.055 4.991 -3.955 13 HB3 LEU 2 HB2 LEU 2 -0.735 3.867 -2.810 14 HG LEU 2 HG LEU 2 0.840 4.543 -1.006 15 HD11 LEU 2 HD11 LEU 2 2.098 6.708 -1.240 16 HD12 LEU 2 HD12 LEU 2 1.749 6.709 -3.010 17 HD13 LEU 2 HD13 LEU 2 2.778 5.412 -2.284 18 HD21 LEU 2 HD21 LEU 2 -0.771 6.828 -2.316 19 HD22 LEU 2 HD22 LEU 2 -0.281 6.730 -0.584 20 HD23 LEU 2 HD23 LEU 2 -1.449 5.535 -1.258 21 HA PRO 3 HA PRO 3 -0.590 0.384 -5.805 22 HB2 PRO 3 HB1 PRO 3 -1.390 -1.818 -4.410 23 HB3 PRO 3 HB2 PRO 3 0.352 -1.442 -4.591 24 HG2 PRO 3 HG1 PRO 3 -1.381 -0.739 -2.151 25 HG3 PRO 3 HG2 PRO 3 0.188 -1.645 -2.188 26 HD2 PRO 3 HD1 PRO 3 0.022 1.128 -1.773 27 HD3 PRO 3 HD2 PRO 3 1.431 0.342 -2.619 28 H ILE 4 HN ILE 4 -2.956 -1.000 -4.038 29 HA ILE 4 HA ILE 4 -5.023 0.504 -4.906 30 HB ILE 4 HB ILE 4 -6.456 -0.675 -3.311 31 HG12 ILE 4 HG11 ILE 4 -3.841 -1.890 -2.206 32 HG13 ILE 4 HG12 ILE 4 -4.858 -0.685 -1.349 33 HG21 ILE 4 HG21 ILE 4 -4.340 -2.460 -4.692 34 HG22 ILE 4 HG22 ILE 4 -6.046 -2.882 -4.311 35 HG23 ILE 4 HG23 ILE 4 -5.694 -1.610 -5.527 36 HD11 ILE 4 HD1 ILE 4 -5.748 -3.528 -2.172 37 HD12 ILE 4 HD2 ILE 4 -5.398 -2.934 -0.511 38 HD13 ILE 4 HD3 ILE 4 -6.811 -2.287 -1.416 39 H LEU 5 HN LEU 5 -3.171 1.354 -2.054 40 HA LEU 5 HA LEU 5 -5.119 2.701 -0.626 41 HB2 LEU 5 HB1 LEU 5 -2.146 3.407 -0.862 42 HB3 LEU 5 HB2 LEU 5 -3.237 3.828 0.499 43 HG LEU 5 HG LEU 5 -2.378 0.980 -0.322 44 HD11 LEU 5 HD11 LEU 5 -1.587 2.708 2.097 45 HD12 LEU 5 HD12 LEU 5 -0.535 2.329 0.683 46 HD13 LEU 5 HD13 LEU 5 -1.077 1.012 1.788 47 HD21 LEU 5 HD21 LEU 5 -4.092 1.936 2.059 48 HD22 LEU 5 HD22 LEU 5 -3.429 0.278 1.852 49 HD23 LEU 5 HD23 LEU 5 -4.651 0.900 0.691 50 H ALA 6 HN ALA 6 -3.182 3.996 -3.358 51 HA ALA 6 HA ALA 6 -4.181 6.652 -3.168 52 HB1 ALA 6 HB1 ALA 6 -3.088 4.988 -5.535 53 HB2 ALA 6 HB2 ALA 6 -3.313 6.783 -5.550 54 HB3 ALA 6 HB3 ALA 6 -2.115 6.031 -4.440 55 H SER 7 HN SER 7 -5.273 3.747 -4.987 56 HA SER 7 HA SER 7 -7.489 4.920 -6.233 57 HB2 SER 7 HB1 SER 7 -7.197 1.978 -5.401 58 HB3 SER 7 HB2 SER 7 -8.221 2.625 -6.726 59 HG SER 7 HG1 SER 7 -6.374 3.029 -7.890 60 H LEU 8 HN LEU 8 -7.217 3.276 -3.055 61 HA LEU 8 HA LEU 8 -9.974 3.340 -2.474 62 HB2 LEU 8 HB1 LEU 8 -7.519 3.267 -0.653 63 HB3 LEU 8 HB2 LEU 8 -9.195 3.151 -0.034 64 HG LEU 8 HG LEU 8 -7.963 1.174 -2.034 65 HD11 LEU 8 HD11 LEU 8 -7.827 -0.390 -0.097 66 HD12 LEU 8 HD12 LEU 8 -8.421 0.906 1.004 67 HD13 LEU 8 HD13 LEU 8 -6.824 1.084 0.189 68 HD21 LEU 8 HD21 LEU 8 -10.450 1.243 -2.213 69 HD22 LEU 8 HD22 LEU 8 -10.590 1.081 -0.417 70 HD23 LEU 8 HD23 LEU 8 -9.919 -0.271 -1.396 71 H ALA 9 HN ALA 9 -7.390 5.729 -1.771 72 HA ALA 9 HA ALA 9 -9.048 7.627 -0.561 73 HB1 ALA 9 HB1 ALA 9 -6.545 7.723 -0.567 74 HB2 ALA 9 HB2 ALA 9 -6.557 8.009 -2.340 75 HB3 ALA 9 HB3 ALA 9 -7.248 9.249 -1.223 76 H ALA 10 HN ALA 10 -8.302 7.069 -4.027 77 HA ALA 10 HA ALA 10 -9.869 9.100 -5.052 78 HB1 ALA 10 HB1 ALA 10 -9.365 6.277 -6.251 79 HB2 ALA 10 HB2 ALA 10 -9.720 7.772 -7.168 80 HB3 ALA 10 HB3 ALA 10 -8.166 7.612 -6.265 81 H LYS 11 HN LYS 11 -10.889 5.688 -4.499 82 HA LYS 11 HA LYS 11 -13.483 6.252 -5.623 83 HB2 LYS 11 HB1 LYS 11 -12.223 4.127 -5.927 84 HB3 LYS 11 HB2 LYS 11 -12.372 3.764 -4.193 85 HG2 LYS 11 HG1 LYS 11 -14.767 4.029 -6.149 86 HG3 LYS 11 HG2 LYS 11 -13.904 2.503 -5.784 87 HD2 LYS 11 HD1 LYS 11 -14.436 2.937 -3.293 88 HD3 LYS 11 HD2 LYS 11 -15.600 4.181 -3.863 89 HE2 LYS 11 HE1 LYS 11 -16.868 2.427 -5.145 90 HE3 LYS 11 HE2 LYS 11 -15.730 1.166 -4.504 91 HZ1 LYS 11 HZ1 LYS 11 -17.685 1.334 -3.114 92 HZ2 LYS 11 HZ2 LYS 11 -17.444 3.000 -2.897 93 HZ3 LYS 11 HZ3 LYS 11 -16.333 1.906 -2.260 94 H PHE 12 HN PHE 12 -12.325 5.515 -2.254 95 HA PHE 12 HA PHE 12 -15.098 5.702 -1.343 96 HB2 PHE 12 HB1 PHE 12 -12.459 4.936 0.030 97 HB3 PHE 12 HB2 PHE 12 -13.953 5.271 0.971 98 HD1 PHE 12 HD1 PHE 12 -15.958 3.924 0.726 99 HD2 PHE 12 HD2 PHE 12 -12.305 2.864 -1.247 100 HE1 PHE 12 HE1 PHE 12 -16.786 1.606 0.464 101 HE2 PHE 12 HE2 PHE 12 -13.135 0.544 -1.544 102 HZ PHE 12 HZ PHE 12 -15.370 -0.093 -0.675 103 H GLY 13 HN GLY 13 -12.346 7.736 -1.681 104 HA2 GLY 13 HA1 GLY 13 -13.914 9.883 -0.387 105 HA3 GLY 13 HA2 GLY 13 -12.193 9.904 -0.892 106 HA PRO 14 HA PRO 14 -14.553 10.686 -4.899 107 HB2 PRO 14 HB1 PRO 14 -17.220 11.524 -4.746 108 HB3 PRO 14 HB2 PRO 14 -16.745 9.797 -4.960 109 HG2 PRO 14 HG1 PRO 14 -17.436 11.203 -2.320 110 HG3 PRO 14 HG2 PRO 14 -18.086 9.634 -2.957 111 HD2 PRO 14 HD1 PRO 14 -15.987 9.687 -1.164 112 HD3 PRO 14 HD2 PRO 14 -16.004 8.496 -2.534 113 H LYS 15 HN LYS 15 -15.289 12.212 -1.825 114 HA LYS 15 HA LYS 15 -14.789 14.906 -2.668 115 HB2 LYS 15 HB1 LYS 15 -14.438 13.504 0.057 116 HB3 LYS 15 HB2 LYS 15 -14.024 15.214 -0.230 117 HG2 LYS 15 HG1 LYS 15 -16.052 15.352 0.787 118 HG3 LYS 15 HG2 LYS 15 -16.394 15.692 -0.938 119 HD2 LYS 15 HD1 LYS 15 -17.346 13.430 -1.239 120 HD3 LYS 15 HD2 LYS 15 -16.875 12.941 0.417 121 HE2 LYS 15 HE1 LYS 15 -18.894 15.196 -0.278 122 HE3 LYS 15 HE2 LYS 15 -19.349 13.507 0.179 123 HZ1 LYS 15 HZ1 LYS 15 -19.448 14.998 2.066 124 HZ2 LYS 15 HZ2 LYS 15 -17.827 15.435 1.874 125 HZ3 LYS 15 HZ3 LYS 15 -18.228 13.851 2.303 126 H LEU 16 HN LEU 16 -12.592 12.239 -1.515 127 HA LEU 16 HA LEU 16 -10.333 13.945 -1.510 128 HB2 LEU 16 HB1 LEU 16 -10.564 10.923 -1.331 129 HB3 LEU 16 HB2 LEU 16 -9.000 11.764 -1.399 130 HG LEU 16 HG LEU 16 -9.541 11.147 0.863 131 HD11 LEU 16 HD11 LEU 16 -9.546 14.210 0.518 132 HD12 LEU 16 HD12 LEU 16 -8.106 13.119 0.464 133 HD13 LEU 16 HD13 LEU 16 -9.049 13.291 1.983 134 HD21 LEU 16 HD21 LEU 16 -11.906 13.116 0.847 135 HD22 LEU 16 HD22 LEU 16 -11.259 12.189 2.244 136 HD23 LEU 16 HD23 LEU 16 -12.035 11.302 0.887 137 H PHE 17 HN PHE 17 -11.477 11.589 -4.057 138 HA PHE 17 HA PHE 17 -9.257 12.254 -5.666 139 HB2 PHE 17 HB1 PHE 17 -11.283 10.386 -5.922 140 HB3 PHE 17 HB2 PHE 17 -11.816 11.557 -7.156 141 HD1 PHE 17 HD1 PHE 17 -11.367 10.311 -9.127 142 HD2 PHE 17 HD2 PHE 17 -8.267 10.531 -6.158 143 HE1 PHE 17 HE1 PHE 17 -9.803 9.131 -10.644 144 HE2 PHE 17 HE2 PHE 17 -6.716 9.399 -7.687 145 HZ PHE 17 HZ PHE 17 -7.463 8.714 -9.940 146 H ABA 18 HN AGL 18 -12.393 13.907 -5.383 147 HA ABA 18 HA AGL 18 -11.830 15.789 -7.435 148 HB3 ABA 18 HB2 AGL 18 -13.536 17.238 -6.100 149 HB2 ABA 18 HB1 AGL 18 -13.689 15.839 -5.006 150 HG3 ABA 18 HG AGL 18 -14.736 14.467 -6.748 151 H LEU 19 HN LEU 19 -11.015 15.839 -3.910 152 HA LEU 19 HA LEU 19 -9.814 18.449 -4.255 153 HB2 LEU 19 HB1 LEU 19 -9.922 16.521 -1.885 154 HB3 LEU 19 HB2 LEU 19 -9.162 18.145 -1.818 155 HG LEU 19 HG LEU 19 -12.122 17.611 -2.439 156 HD11 LEU 19 HD11 LEU 19 -10.736 18.664 0.109 157 HD12 LEU 19 HD12 LEU 19 -11.495 17.041 -0.087 158 HD13 LEU 19 HD13 LEU 19 -12.515 18.533 -0.146 159 HD21 LEU 19 HD21 LEU 19 -12.375 20.095 -2.057 160 HD22 LEU 19 HD22 LEU 19 -11.382 19.724 -3.510 161 HD23 LEU 19 HD23 LEU 19 -10.580 20.247 -1.981 162 H VAL 20 HN VAL 20 -8.375 15.213 -3.421 163 HA VAL 20 HA VAL 20 -5.743 16.307 -3.296 164 HB VAL 20 HB VAL 20 -6.704 13.406 -3.433 165 HG11 VAL 20 HG11 VAL 20 -4.311 13.522 -4.105 166 HG12 VAL 20 HG12 VAL 20 -3.943 14.623 -2.726 167 HG13 VAL 20 HG13 VAL 20 -4.423 12.908 -2.426 168 HG21 VAL 20 HG21 VAL 20 -6.282 13.483 -0.945 169 HG22 VAL 20 HG22 VAL 20 -5.925 15.247 -1.069 170 HG23 VAL 20 HG23 VAL 20 -7.581 14.630 -1.431 171 H THR 21 HN THR 21 -7.489 14.276 -5.669 172 HA THR 21 HA THR 21 -5.109 14.444 -7.402 173 HB THR 21 HB THR 21 -7.529 12.702 -7.904 174 HG1 THR 21 HG1 THR 21 -6.194 11.138 -6.879 175 HG21 THR 21 HG21 THR 21 -5.852 12.875 -9.802 176 HG22 THR 21 HG22 THR 21 -5.696 11.276 -9.011 177 HG23 THR 21 HG23 THR 21 -4.511 12.584 -8.634 178 H LYS 22 HN LYS 22 -7.838 16.210 -6.978 179 HA LYS 22 HA LYS 22 -9.049 17.624 -8.160 180 HB2 LYS 22 HB1 LYS 22 -6.673 18.474 -8.274 181 HB3 LYS 22 HB2 LYS 22 -6.618 17.899 -9.961 182 HG2 LYS 22 HG1 LYS 22 -9.042 19.559 -9.384 183 HG3 LYS 22 HG2 LYS 22 -7.558 20.424 -8.913 184 HD2 LYS 22 HD1 LYS 22 -8.120 19.225 -11.698 185 HD3 LYS 22 HD2 LYS 22 -8.361 20.937 -11.234 186 HE2 LYS 22 HE1 LYS 22 -5.894 21.179 -10.767 187 HE3 LYS 22 HE2 LYS 22 -5.633 19.454 -11.244 188 HZ1 LYS 22 HZ1 LYS 22 -6.510 19.981 -13.426 189 HZ2 LYS 22 HZ2 LYS 22 -5.172 20.956 -13.060 190 HZ3 LYS 22 HZ3 LYS 22 -6.740 21.600 -12.991 191 H LYS 23 HN LYS 23 -10.044 15.253 -8.848 192 HA LYS 23 HA LYS 23 -10.366 15.357 -11.791 193 HB2 LYS 23 HB1 LYS 23 -10.943 13.118 -9.807 194 HB3 LYS 23 HB2 LYS 23 -11.291 13.047 -11.557 195 HG2 LYS 23 HG1 LYS 23 -8.516 13.880 -11.309 196 HG3 LYS 23 HG2 LYS 23 -8.774 12.608 -10.104 197 HD2 LYS 23 HD1 LYS 23 -8.020 11.513 -12.125 198 HD3 LYS 23 HD2 LYS 23 -9.732 11.090 -11.851 199 HE2 LYS 23 HE1 LYS 23 -9.302 11.473 -14.261 200 HE3 LYS 23 HE2 LYS 23 -10.472 12.692 -13.626 201 HZ1 LYS 23 HZ1 LYS 23 -8.636 14.242 -13.402 202 HZ2 LYS 23 HZ2 LYS 23 -8.796 13.704 -15.009 203 HZ3 LYS 23 HZ3 LYS 23 -7.547 13.103 -14.027 204 H ABA 24 HN AGL 24 -11.842 16.990 -9.527 205 HA ABA 24 HA AGL 24 -14.487 16.630 -10.812 206 HB3 ABA 24 HB2 AGL 24 -15.433 17.947 -8.878 207 HB2 ABA 24 HB1 AGL 24 -13.818 17.934 -8.110 208 HG3 ABA 24 HG AGL 24 -15.533 15.394 -8.789 Start of MODEL 13 1 H1 PHE 1 HN PHE 1 0.509 4.112 -8.413 2 HA PHE 1 HA PHE 1 2.831 2.888 -7.729 3 HB2 PHE 1 HB1 PHE 1 3.908 5.066 -8.534 4 HB3 PHE 1 HB2 PHE 1 2.949 5.958 -7.302 5 HD1 PHE 1 HD1 PHE 1 3.940 6.292 -5.199 6 HD2 PHE 1 HD2 PHE 1 5.325 3.032 -7.621 7 HE1 PHE 1 HE1 PHE 1 5.623 5.731 -3.471 8 HE2 PHE 1 HE2 PHE 1 7.010 2.460 -5.897 9 HZ PHE 1 HZ PHE 1 7.154 3.805 -3.810 10 H LEU 2 HN LEU 2 3.169 3.212 -5.265 11 HA LEU 2 HA LEU 2 2.376 2.641 -3.301 12 HB2 LEU 2 HB1 LEU 2 1.109 4.925 -3.602 13 HB3 LEU 2 HB2 LEU 2 -0.331 3.930 -3.919 14 HG LEU 2 HG LEU 2 -0.159 2.977 -1.603 15 HD11 LEU 2 HD11 LEU 2 2.129 5.037 -1.242 16 HD12 LEU 2 HD12 LEU 2 2.345 3.248 -1.208 17 HD13 LEU 2 HD13 LEU 2 1.372 4.063 0.069 18 HD21 LEU 2 HD21 LEU 2 -1.557 4.976 -2.073 19 HD22 LEU 2 HD22 LEU 2 -0.155 6.054 -1.730 20 HD23 LEU 2 HD23 LEU 2 -0.858 5.046 -0.411 21 HA PRO 3 HA PRO 3 -0.540 -0.703 -4.521 22 HB2 PRO 3 HB1 PRO 3 -1.617 -1.633 -2.102 23 HB3 PRO 3 HB2 PRO 3 0.047 -2.013 -2.669 24 HG2 PRO 3 HG1 PRO 3 -0.764 0.274 -0.784 25 HG3 PRO 3 HG2 PRO 3 0.465 -1.029 -0.485 26 HD2 PRO 3 HD1 PRO 3 1.262 1.395 -1.448 27 HD3 PRO 3 HD2 PRO 3 1.934 -0.114 -2.210 28 H ILE 4 HN ILE 4 -3.052 -1.224 -3.529 29 HA ILE 4 HA ILE 4 -4.573 0.478 -4.879 30 HB ILE 4 HB ILE 4 -6.519 -0.563 -4.027 31 HG12 ILE 4 HG11 ILE 4 -6.139 -0.575 -1.595 32 HG13 ILE 4 HG12 ILE 4 -6.635 -2.155 -2.242 33 HG21 ILE 4 HG21 ILE 4 -4.219 -2.603 -4.324 34 HG22 ILE 4 HG22 ILE 4 -5.973 -2.891 -4.586 35 HG23 ILE 4 HG23 ILE 4 -5.086 -1.756 -5.660 36 HD11 ILE 4 HD1 ILE 4 -3.786 -1.400 -1.313 37 HD12 ILE 4 HD2 ILE 4 -4.952 -2.491 -0.500 38 HD13 ILE 4 HD3 ILE 4 -4.241 -2.981 -2.073 39 H LEU 5 HN LEU 5 -3.670 1.107 -1.601 40 HA LEU 5 HA LEU 5 -5.591 2.627 -0.522 41 HB2 LEU 5 HB1 LEU 5 -2.610 3.299 -0.520 42 HB3 LEU 5 HB2 LEU 5 -3.806 3.719 0.750 43 HG LEU 5 HG LEU 5 -2.838 0.888 -0.008 44 HD11 LEU 5 HD11 LEU 5 -1.752 0.920 2.217 45 HD12 LEU 5 HD12 LEU 5 -2.330 2.601 2.495 46 HD13 LEU 5 HD13 LEU 5 -1.141 2.265 1.182 47 HD21 LEU 5 HD21 LEU 5 -4.076 0.136 2.053 48 HD22 LEU 5 HD22 LEU 5 -5.186 0.719 0.766 49 HD23 LEU 5 HD23 LEU 5 -4.817 1.769 2.190 50 H ALA 6 HN ALA 6 -3.365 3.922 -3.060 51 HA ALA 6 HA ALA 6 -4.311 6.585 -2.940 52 HB1 ALA 6 HB1 ALA 6 -3.277 6.725 -5.249 53 HB2 ALA 6 HB2 ALA 6 -2.187 5.887 -4.090 54 HB3 ALA 6 HB3 ALA 6 -3.137 4.926 -5.272 55 H SER 7 HN SER 7 -5.397 3.775 -4.917 56 HA SER 7 HA SER 7 -7.546 5.141 -6.177 57 HB2 SER 7 HB1 SER 7 -7.237 2.121 -5.686 58 HB3 SER 7 HB2 SER 7 -8.274 2.901 -6.929 59 HG SER 7 HG1 SER 7 -6.443 3.439 -8.053 60 H LEU 8 HN LEU 8 -7.265 3.302 -3.117 61 HA LEU 8 HA LEU 8 -10.066 3.292 -2.619 62 HB2 LEU 8 HB1 LEU 8 -7.743 3.152 -0.642 63 HB3 LEU 8 HB2 LEU 8 -9.463 2.978 -0.186 64 HG LEU 8 HG LEU 8 -7.936 1.105 -2.074 65 HD11 LEU 8 HD11 LEU 8 -9.007 0.722 0.801 66 HD12 LEU 8 HD12 LEU 8 -7.279 0.943 0.346 67 HD13 LEU 8 HD13 LEU 8 -8.176 -0.529 -0.194 68 HD21 LEU 8 HD21 LEU 8 -9.978 -0.366 -1.869 69 HD22 LEU 8 HD22 LEU 8 -10.334 1.163 -2.743 70 HD23 LEU 8 HD23 LEU 8 -10.834 0.967 -1.014 71 H ALA 9 HN ALA 9 -7.543 5.687 -1.793 72 HA ALA 9 HA ALA 9 -9.234 7.514 -0.542 73 HB1 ALA 9 HB1 ALA 9 -6.797 8.047 -2.354 74 HB2 ALA 9 HB2 ALA 9 -7.514 9.212 -1.179 75 HB3 ALA 9 HB3 ALA 9 -6.734 7.699 -0.592 76 H ALA 10 HN ALA 10 -8.565 7.022 -4.041 77 HA ALA 10 HA ALA 10 -10.256 9.001 -4.992 78 HB1 ALA 10 HB1 ALA 10 -8.570 7.400 -6.256 79 HB2 ALA 10 HB2 ALA 10 -9.897 6.203 -6.306 80 HB3 ALA 10 HB3 ALA 10 -10.111 7.779 -7.123 81 H LYS 11 HN LYS 11 -11.061 5.585 -4.360 82 HA LYS 11 HA LYS 11 -13.708 5.890 -5.370 83 HB2 LYS 11 HB1 LYS 11 -12.390 3.845 -5.625 84 HB3 LYS 11 HB2 LYS 11 -12.308 3.603 -3.861 85 HG2 LYS 11 HG1 LYS 11 -15.029 3.775 -5.251 86 HG3 LYS 11 HG2 LYS 11 -14.068 2.276 -5.434 87 HD2 LYS 11 HD1 LYS 11 -14.119 1.758 -3.101 88 HD3 LYS 11 HD2 LYS 11 -14.555 3.426 -2.650 89 HE2 LYS 11 HE1 LYS 11 -16.821 3.061 -3.887 90 HE3 LYS 11 HE2 LYS 11 -16.411 1.296 -3.864 91 HZ1 LYS 11 HZ1 LYS 11 -16.047 1.606 -1.411 92 HZ2 LYS 11 HZ2 LYS 11 -17.657 1.838 -1.913 93 HZ3 LYS 11 HZ3 LYS 11 -16.657 3.163 -1.558 94 H PHE 12 HN PHE 12 -12.428 5.629 -2.000 95 HA PHE 12 HA PHE 12 -15.180 5.802 -0.998 96 HB2 PHE 12 HB1 PHE 12 -12.446 5.349 0.321 97 HB3 PHE 12 HB2 PHE 12 -13.880 5.820 1.297 98 HD1 PHE 12 HD1 PHE 12 -15.831 4.416 1.483 99 HD2 PHE 12 HD2 PHE 12 -12.346 3.087 -0.632 100 HE1 PHE 12 HE1 PHE 12 -16.596 2.073 1.714 101 HE2 PHE 12 HE2 PHE 12 -13.116 0.735 -0.423 102 HZ PHE 12 HZ PHE 12 -15.232 0.226 0.769 103 H GLY 13 HN GLY 13 -12.512 7.890 -1.729 104 HA2 GLY 13 HA1 GLY 13 -14.159 10.128 -0.714 105 HA3 GLY 13 HA2 GLY 13 -12.397 10.119 -1.055 106 HA PRO 14 HA PRO 14 -14.451 10.791 -5.247 107 HB2 PRO 14 HB1 PRO 14 -17.143 11.587 -5.211 108 HB3 PRO 14 HB2 PRO 14 -16.622 9.883 -5.491 109 HG2 PRO 14 HG1 PRO 14 -17.504 11.135 -2.834 110 HG3 PRO 14 HG2 PRO 14 -18.067 9.582 -3.581 111 HD2 PRO 14 HD1 PRO 14 -16.097 9.615 -1.652 112 HD3 PRO 14 HD2 PRO 14 -15.980 8.477 -3.066 113 H LYS 15 HN LYS 15 -15.477 12.188 -2.194 114 HA LYS 15 HA LYS 15 -14.980 14.915 -2.765 115 HB2 LYS 15 HB1 LYS 15 -14.399 13.319 -0.184 116 HB3 LYS 15 HB2 LYS 15 -14.482 15.102 -0.307 117 HG2 LYS 15 HG1 LYS 15 -16.910 14.965 -0.858 118 HG3 LYS 15 HG2 LYS 15 -16.848 13.175 -0.746 119 HD2 LYS 15 HD1 LYS 15 -16.055 13.356 1.635 120 HD3 LYS 15 HD2 LYS 15 -16.146 15.143 1.524 121 HE2 LYS 15 HE1 LYS 15 -18.640 15.006 1.170 122 HE3 LYS 15 HE2 LYS 15 -18.552 13.202 1.262 123 HZ1 LYS 15 HZ1 LYS 15 -19.203 14.184 3.364 124 HZ2 LYS 15 HZ2 LYS 15 -17.787 15.104 3.436 125 HZ3 LYS 15 HZ3 LYS 15 -17.705 13.417 3.523 126 H LEU 16 HN LEU 16 -12.731 12.270 -1.675 127 HA LEU 16 HA LEU 16 -10.485 13.992 -1.563 128 HB2 LEU 16 HB1 LEU 16 -10.598 10.954 -1.683 129 HB3 LEU 16 HB2 LEU 16 -9.123 11.906 -1.369 130 HG LEU 16 HG LEU 16 -11.607 11.905 0.443 131 HD11 LEU 16 HD11 LEU 16 -10.402 9.700 0.401 132 HD12 LEU 16 HD12 LEU 16 -10.198 10.545 1.984 133 HD13 LEU 16 HD13 LEU 16 -8.858 10.548 0.783 134 HD21 LEU 16 HD21 LEU 16 -8.794 13.122 0.837 135 HD22 LEU 16 HD22 LEU 16 -10.079 13.034 2.090 136 HD23 LEU 16 HD23 LEU 16 -10.325 14.054 0.628 137 H PHE 17 HN PHE 17 -11.530 11.671 -4.185 138 HA PHE 17 HA PHE 17 -9.244 12.417 -5.693 139 HB2 PHE 17 HB1 PHE 17 -11.286 10.459 -6.010 140 HB3 PHE 17 HB2 PHE 17 -11.509 11.528 -7.423 141 HD1 PHE 17 HD1 PHE 17 -10.571 10.382 -9.236 142 HD2 PHE 17 HD2 PHE 17 -8.370 10.408 -5.544 143 HE1 PHE 17 HE1 PHE 17 -8.706 9.146 -10.319 144 HE2 PHE 17 HE2 PHE 17 -6.539 9.168 -6.622 145 HZ PHE 17 HZ PHE 17 -6.684 8.562 -9.018 146 H ABA 18 HN AGL 18 -12.404 14.003 -5.452 147 HA ABA 18 HA AGL 18 -11.820 15.862 -7.533 148 HB3 ABA 18 HB2 AGL 18 -13.492 17.352 -6.162 149 HB2 ABA 18 HB1 AGL 18 -13.701 15.919 -5.124 150 HG3 ABA 18 HG AGL 18 -14.804 14.668 -6.912 151 H LEU 19 HN LEU 19 -11.018 15.903 -4.005 152 HA LEU 19 HA LEU 19 -9.806 18.516 -4.354 153 HB2 LEU 19 HB1 LEU 19 -9.986 16.631 -1.949 154 HB3 LEU 19 HB2 LEU 19 -9.227 18.255 -1.895 155 HG LEU 19 HG LEU 19 -12.168 17.707 -2.581 156 HD11 LEU 19 HD11 LEU 19 -10.842 18.836 -0.034 157 HD12 LEU 19 HD12 LEU 19 -11.604 17.211 -0.200 158 HD13 LEU 19 HD13 LEU 19 -12.615 18.704 -0.330 159 HD21 LEU 19 HD21 LEU 19 -12.421 20.206 -2.293 160 HD22 LEU 19 HD22 LEU 19 -11.390 19.781 -3.703 161 HD23 LEU 19 HD23 LEU 19 -10.627 20.352 -2.172 162 H VAL 20 HN VAL 20 -8.447 15.296 -3.424 163 HA VAL 20 HA VAL 20 -5.790 16.320 -3.255 164 HB VAL 20 HB VAL 20 -6.821 13.441 -3.427 165 HG11 VAL 20 HG11 VAL 20 -4.580 12.906 -2.345 166 HG12 VAL 20 HG12 VAL 20 -4.405 13.533 -4.017 167 HG13 VAL 20 HG13 VAL 20 -4.074 14.615 -2.614 168 HG21 VAL 20 HG21 VAL 20 -7.758 14.666 -1.448 169 HG22 VAL 20 HG22 VAL 20 -6.496 13.495 -0.923 170 HG23 VAL 20 HG23 VAL 20 -6.102 15.249 -1.023 171 H THR 21 HN THR 21 -7.550 14.304 -5.646 172 HA THR 21 HA THR 21 -5.137 14.440 -7.334 173 HB THR 21 HB THR 21 -7.517 12.629 -7.764 174 HG1 THR 21 HG1 THR 21 -6.187 11.154 -6.696 175 HG21 THR 21 HG21 THR 21 -4.508 12.525 -8.539 176 HG22 THR 21 HG22 THR 21 -5.861 12.808 -9.697 177 HG23 THR 21 HG23 THR 21 -5.700 11.222 -8.883 178 H LYS 22 HN LYS 22 -7.862 16.230 -7.033 179 HA LYS 22 HA LYS 22 -8.963 17.658 -8.302 180 HB2 LYS 22 HB1 LYS 22 -6.377 18.165 -8.519 181 HB3 LYS 22 HB2 LYS 22 -6.645 17.869 -10.246 182 HG2 LYS 22 HG1 LYS 22 -8.184 19.867 -8.442 183 HG3 LYS 22 HG2 LYS 22 -6.756 20.323 -9.396 184 HD2 LYS 22 HD1 LYS 22 -9.485 19.378 -10.496 185 HD3 LYS 22 HD2 LYS 22 -8.930 21.063 -10.434 186 HE2 LYS 22 HE1 LYS 22 -7.666 18.804 -12.159 187 HE3 LYS 22 HE2 LYS 22 -8.764 20.112 -12.740 188 HZ1 LYS 22 HZ1 LYS 22 -6.090 20.453 -11.493 189 HZ2 LYS 22 HZ2 LYS 22 -7.099 21.717 -12.021 190 HZ3 LYS 22 HZ3 LYS 22 -6.458 20.612 -13.144 191 H LYS 23 HN LYS 23 -9.992 15.212 -8.965 192 HA LYS 23 HA LYS 23 -10.331 15.402 -11.909 193 HB2 LYS 23 HB1 LYS 23 -10.952 13.070 -10.057 194 HB3 LYS 23 HB2 LYS 23 -11.310 13.153 -11.809 195 HG2 LYS 23 HG1 LYS 23 -8.651 13.796 -11.932 196 HG3 LYS 23 HG2 LYS 23 -8.634 12.940 -10.381 197 HD2 LYS 23 HD1 LYS 23 -8.076 11.305 -12.069 198 HD3 LYS 23 HD2 LYS 23 -9.718 10.932 -11.478 199 HE2 LYS 23 HE1 LYS 23 -9.561 10.615 -13.939 200 HE3 LYS 23 HE2 LYS 23 -10.740 11.921 -13.540 201 HZ1 LYS 23 HZ1 LYS 23 -9.292 12.546 -15.349 202 HZ2 LYS 23 HZ2 LYS 23 -7.909 12.314 -14.395 203 HZ3 LYS 23 HZ3 LYS 23 -9.012 13.538 -14.001 204 H ABA 24 HN AGL 24 -11.678 17.034 -9.614 205 HA ABA 24 HA AGL 24 -14.324 16.890 -10.934 206 HB3 ABA 24 HB2 AGL 24 -15.220 18.223 -8.994 207 HB2 ABA 24 HB1 AGL 24 -13.630 18.091 -8.189 208 HG3 ABA 24 HG AGL 24 -15.485 15.679 -8.958 Start of MODEL 14 1 H1 PHE 1 HN PHE 1 1.678 3.254 -8.033 2 HA PHE 1 HA PHE 1 3.995 3.890 -6.528 3 HB2 PHE 1 HB1 PHE 1 3.673 6.004 -7.913 4 HB3 PHE 1 HB2 PHE 1 1.980 6.105 -7.336 5 HD1 PHE 1 HD1 PHE 1 1.544 7.396 -5.428 6 HD2 PHE 1 HD2 PHE 1 5.514 5.862 -6.010 7 HE1 PHE 1 HE1 PHE 1 2.307 8.612 -3.410 8 HE2 PHE 1 HE2 PHE 1 6.273 7.065 -3.975 9 HZ PHE 1 HZ PHE 1 4.666 8.434 -2.675 10 H LEU 2 HN LEU 2 3.586 3.723 -4.372 11 HA LEU 2 HA LEU 2 2.616 2.927 -2.580 12 HB2 LEU 2 HB1 LEU 2 0.146 4.326 -3.690 13 HB3 LEU 2 HB2 LEU 2 0.086 3.458 -2.143 14 HG LEU 2 HG LEU 2 2.055 5.738 -2.744 15 HD11 LEU 2 HD11 LEU 2 -0.241 6.618 -2.843 16 HD12 LEU 2 HD12 LEU 2 0.535 7.146 -1.314 17 HD13 LEU 2 HD13 LEU 2 -0.658 5.794 -1.291 18 HD21 LEU 2 HD21 LEU 2 2.291 5.835 -0.248 19 HD22 LEU 2 HD22 LEU 2 2.831 4.244 -0.886 20 HD23 LEU 2 HD23 LEU 2 1.220 4.394 -0.092 21 HA PRO 3 HA PRO 3 0.200 -0.756 -3.716 22 HB2 PRO 3 HB1 PRO 3 -1.329 -1.296 -1.437 23 HB3 PRO 3 HB2 PRO 3 0.441 -1.634 -1.512 24 HG2 PRO 3 HG1 PRO 3 -0.889 0.909 -0.409 25 HG3 PRO 3 HG2 PRO 3 0.284 -0.185 0.444 26 HD2 PRO 3 HD1 PRO 3 1.132 2.083 -0.854 27 HD3 PRO 3 HD2 PRO 3 2.097 0.550 -0.995 28 H ILE 4 HN ILE 4 -2.356 -1.263 -3.618 29 HA ILE 4 HA ILE 4 -3.499 0.452 -5.294 30 HB ILE 4 HB ILE 4 -5.635 -0.706 -4.942 31 HG12 ILE 4 HG11 ILE 4 -4.147 -2.182 -2.677 32 HG13 ILE 4 HG12 ILE 4 -5.467 -0.993 -2.439 33 HG21 ILE 4 HG21 ILE 4 -4.781 -2.865 -5.747 34 HG22 ILE 4 HG22 ILE 4 -3.775 -1.549 -6.420 35 HG23 ILE 4 HG23 ILE 4 -3.156 -2.549 -5.057 36 HD11 ILE 4 HD1 ILE 4 -6.392 -3.269 -2.284 37 HD12 ILE 4 HD2 ILE 4 -7.028 -2.470 -3.764 38 HD13 ILE 4 HD3 ILE 4 -5.727 -3.704 -3.892 39 H LEU 5 HN LEU 5 -3.705 0.815 -1.879 40 HA LEU 5 HA LEU 5 -5.867 2.200 -1.267 41 HB2 LEU 5 HB1 LEU 5 -3.058 2.935 -0.304 42 HB3 LEU 5 HB2 LEU 5 -4.595 3.103 0.602 43 HG LEU 5 HG LEU 5 -3.192 0.473 -0.205 44 HD11 LEU 5 HD11 LEU 5 -2.829 0.203 2.227 45 HD12 LEU 5 HD12 LEU 5 -3.638 1.781 2.541 46 HD13 LEU 5 HD13 LEU 5 -2.081 1.735 1.637 47 HD21 LEU 5 HD21 LEU 5 -5.792 0.862 1.413 48 HD22 LEU 5 HD22 LEU 5 -4.892 -0.684 1.223 49 HD23 LEU 5 HD23 LEU 5 -5.663 0.080 -0.211 50 H ALA 6 HN ALA 6 -3.167 3.752 -3.064 51 HA ALA 6 HA ALA 6 -4.025 6.412 -2.863 52 HB1 ALA 6 HB1 ALA 6 -1.831 5.615 -3.846 53 HB2 ALA 6 HB2 ALA 6 -2.712 4.883 -5.221 54 HB3 ALA 6 HB3 ALA 6 -2.702 6.679 -5.002 55 H SER 7 HN SER 7 -5.072 3.784 -5.041 56 HA SER 7 HA SER 7 -6.907 5.481 -6.499 57 HB2 SER 7 HB1 SER 7 -7.554 3.543 -7.767 58 HB3 SER 7 HB2 SER 7 -5.768 3.513 -7.612 59 HG SER 7 HG1 SER 7 -6.119 1.999 -5.838 60 H LEU 8 HN LEU 8 -7.067 3.590 -3.530 61 HA LEU 8 HA LEU 8 -9.919 3.420 -3.500 62 HB2 LEU 8 HB1 LEU 8 -7.968 3.422 -1.145 63 HB3 LEU 8 HB2 LEU 8 -9.729 3.173 -1.008 64 HG LEU 8 HG LEU 8 -7.797 1.338 -2.518 65 HD11 LEU 8 HD11 LEU 8 -9.400 0.926 0.094 66 HD12 LEU 8 HD12 LEU 8 -7.645 1.288 0.014 67 HD13 LEU 8 HD13 LEU 8 -8.281 -0.257 -0.672 68 HD21 LEU 8 HD21 LEU 8 -10.036 1.268 -3.622 69 HD22 LEU 8 HD22 LEU 8 -10.833 1.062 -2.006 70 HD23 LEU 8 HD23 LEU 8 -9.764 -0.231 -2.662 71 H ALA 9 HN ALA 9 -7.629 5.928 -2.376 72 HA ALA 9 HA ALA 9 -9.589 7.724 -1.476 73 HB1 ALA 9 HB1 ALA 9 -7.123 8.013 -1.101 74 HB2 ALA 9 HB2 ALA 9 -6.897 8.306 -2.861 75 HB3 ALA 9 HB3 ALA 9 -7.845 9.472 -1.864 76 H ALA 10 HN ALA 10 -8.253 7.205 -4.762 77 HA ALA 10 HA ALA 10 -9.830 9.091 -6.076 78 HB1 ALA 10 HB1 ALA 10 -7.756 7.946 -6.967 79 HB2 ALA 10 HB2 ALA 10 -8.741 6.467 -7.252 80 HB3 ALA 10 HB3 ALA 10 -9.110 8.003 -8.135 81 H LYS 11 HN LYS 11 -10.716 5.683 -5.462 82 HA LYS 11 HA LYS 11 -13.193 6.101 -6.933 83 HB2 LYS 11 HB1 LYS 11 -11.908 4.016 -7.143 84 HB3 LYS 11 HB2 LYS 11 -12.158 3.645 -5.422 85 HG2 LYS 11 HG1 LYS 11 -14.582 4.130 -7.246 86 HG3 LYS 11 HG2 LYS 11 -13.683 2.584 -7.368 87 HD2 LYS 11 HD1 LYS 11 -14.069 2.047 -5.023 88 HD3 LYS 11 HD2 LYS 11 -14.833 3.638 -4.717 89 HE2 LYS 11 HE1 LYS 11 -16.698 3.026 -6.353 90 HE3 LYS 11 HE2 LYS 11 -15.995 1.356 -6.436 91 HZ1 LYS 11 HZ1 LYS 11 -17.674 1.419 -4.751 92 HZ2 LYS 11 HZ2 LYS 11 -16.994 2.791 -4.022 93 HZ3 LYS 11 HZ3 LYS 11 -16.173 1.330 -3.963 94 H PHE 12 HN PHE 12 -12.362 5.516 -3.432 95 HA PHE 12 HA PHE 12 -15.237 5.589 -2.854 96 HB2 PHE 12 HB1 PHE 12 -12.728 4.738 -1.298 97 HB3 PHE 12 HB2 PHE 12 -14.250 5.097 -0.427 98 HD1 PHE 12 HD1 PHE 12 -16.275 3.823 -0.766 99 HD2 PHE 12 HD2 PHE 12 -12.544 2.650 -2.522 100 HE1 PHE 12 HE1 PHE 12 -17.105 1.500 -0.954 101 HE2 PHE 12 HE2 PHE 12 -13.374 0.319 -2.731 102 HZ PHE 12 HZ PHE 12 -15.650 -0.263 -1.929 103 H GLY 13 HN GLY 13 -12.605 7.754 -2.939 104 HA2 GLY 13 HA1 GLY 13 -14.113 9.608 -1.189 105 HA3 GLY 13 HA2 GLY 13 -12.384 9.684 -1.662 106 HA PRO 14 HA PRO 14 -14.661 11.725 -5.223 107 HB2 PRO 14 HB1 PRO 14 -17.370 12.325 -4.923 108 HB3 PRO 14 HB2 PRO 14 -16.797 10.794 -5.710 109 HG2 PRO 14 HG1 PRO 14 -17.687 11.166 -2.796 110 HG3 PRO 14 HG2 PRO 14 -18.191 9.875 -3.969 111 HD2 PRO 14 HD1 PRO 14 -16.170 9.509 -2.091 112 HD3 PRO 14 HD2 PRO 14 -16.097 8.721 -3.727 113 H LYS 15 HN LYS 15 -15.761 12.026 -1.850 114 HA LYS 15 HA LYS 15 -15.320 14.829 -1.677 115 HB2 LYS 15 HB1 LYS 15 -16.627 13.580 0.040 116 HB3 LYS 15 HB2 LYS 15 -15.188 12.610 0.448 117 HG2 LYS 15 HG1 LYS 15 -15.558 14.264 2.171 118 HG3 LYS 15 HG2 LYS 15 -14.026 14.656 1.315 119 HD2 LYS 15 HD1 LYS 15 -15.273 16.385 -0.053 120 HD3 LYS 15 HD2 LYS 15 -16.747 16.079 0.925 121 HE2 LYS 15 HE1 LYS 15 -14.015 17.150 1.942 122 HE3 LYS 15 HE2 LYS 15 -15.505 18.138 1.670 123 HZ1 LYS 15 HZ1 LYS 15 -16.623 16.801 3.363 124 HZ2 LYS 15 HZ2 LYS 15 -15.249 17.576 3.977 125 HZ3 LYS 15 HZ3 LYS 15 -15.202 15.916 3.634 126 H LEU 16 HN LEU 16 -13.082 12.024 -1.100 127 HA LEU 16 HA LEU 16 -10.958 13.746 -0.319 128 HB2 LEU 16 HB1 LEU 16 -10.774 10.863 -1.329 129 HB3 LEU 16 HB2 LEU 16 -9.468 11.787 -0.545 130 HG LEU 16 HG LEU 16 -12.120 11.092 0.846 131 HD11 LEU 16 HD11 LEU 16 -9.330 9.806 1.078 132 HD12 LEU 16 HD12 LEU 16 -10.781 9.050 0.315 133 HD13 LEU 16 HD13 LEU 16 -10.763 9.401 2.080 134 HD21 LEU 16 HD21 LEU 16 -11.038 13.132 1.823 135 HD22 LEU 16 HD22 LEU 16 -9.471 12.245 1.933 136 HD23 LEU 16 HD23 LEU 16 -10.858 11.726 2.928 137 H PHE 17 HN PHE 17 -11.643 12.181 -3.524 138 HA PHE 17 HA PHE 17 -9.101 13.282 -4.466 139 HB2 PHE 17 HB1 PHE 17 -10.231 10.812 -4.597 140 HB3 PHE 17 HB2 PHE 17 -10.831 11.436 -6.145 141 HD1 PHE 17 HD1 PHE 17 -7.776 10.805 -4.061 142 HD2 PHE 17 HD2 PHE 17 -9.289 11.538 -8.015 143 HE1 PHE 17 HE1 PHE 17 -5.581 10.192 -5.012 144 HE2 PHE 17 HE2 PHE 17 -7.097 10.899 -8.973 145 HZ PHE 17 HZ PHE 17 -5.241 10.214 -7.478 146 H ABA 18 HN AGL 18 -11.822 14.837 -4.267 147 HA ABA 18 HA AGL 18 -11.065 16.215 -6.790 148 HB3 ABA 18 HB2 AGL 18 -13.076 17.672 -6.445 149 HB2 ABA 18 HB1 AGL 18 -13.520 16.692 -5.013 150 HG3 ABA 18 HG AGL 18 -14.028 14.708 -6.395 151 H LEU 19 HN LEU 19 -10.058 15.821 -3.723 152 HA LEU 19 HA LEU 19 -9.222 18.648 -3.506 153 HB2 LEU 19 HB1 LEU 19 -10.898 18.066 -1.728 154 HB3 LEU 19 HB2 LEU 19 -9.857 16.698 -1.214 155 HG LEU 19 HG LEU 19 -8.029 18.328 -0.612 156 HD11 LEU 19 HD11 LEU 19 -10.123 20.489 -1.308 157 HD12 LEU 19 HD12 LEU 19 -8.532 20.219 -2.126 158 HD13 LEU 19 HD13 LEU 19 -8.574 20.770 -0.421 159 HD21 LEU 19 HD21 LEU 19 -9.617 17.540 1.122 160 HD22 LEU 19 HD22 LEU 19 -10.726 18.913 0.739 161 HD23 LEU 19 HD23 LEU 19 -9.095 19.232 1.423 162 H VAL 20 HN VAL 20 -8.336 15.277 -2.552 163 HA VAL 20 HA VAL 20 -5.604 15.828 -2.080 164 HB VAL 20 HB VAL 20 -7.150 13.254 -2.649 165 HG11 VAL 20 HG11 VAL 20 -5.133 12.079 -1.604 166 HG12 VAL 20 HG12 VAL 20 -4.766 12.799 -3.205 167 HG13 VAL 20 HG13 VAL 20 -4.225 13.639 -1.702 168 HG21 VAL 20 HG21 VAL 20 -6.054 14.525 -0.052 169 HG22 VAL 20 HG22 VAL 20 -7.795 14.442 -0.523 170 HG23 VAL 20 HG23 VAL 20 -6.889 12.923 -0.163 171 H THR 21 HN THR 21 -7.424 15.282 -4.958 172 HA THR 21 HA THR 21 -5.309 15.916 -6.684 173 HB THR 21 HB THR 21 -6.300 13.054 -6.685 174 HG1 THR 21 HG1 THR 21 -4.271 13.957 -5.618 175 HG21 THR 21 HG21 THR 21 -4.854 12.751 -8.800 176 HG22 THR 21 HG22 THR 21 -4.747 14.523 -8.915 177 HG23 THR 21 HG23 THR 21 -6.374 13.657 -9.036 178 H LYS 22 HN LYS 22 -6.535 15.894 -9.018 179 HA LYS 22 HA LYS 22 -9.380 16.535 -8.496 180 HB2 LYS 22 HB1 LYS 22 -8.041 18.437 -9.380 181 HB3 LYS 22 HB2 LYS 22 -7.313 17.369 -10.607 182 HG2 LYS 22 HG1 LYS 22 -9.603 17.118 -11.727 183 HG3 LYS 22 HG2 LYS 22 -10.202 18.425 -10.619 184 HD2 LYS 22 HD1 LYS 22 -8.717 20.045 -11.682 185 HD3 LYS 22 HD2 LYS 22 -7.629 18.749 -12.259 186 HE2 LYS 22 HE1 LYS 22 -8.763 19.675 -14.202 187 HE3 LYS 22 HE2 LYS 22 -9.299 17.976 -13.960 188 HZ1 LYS 22 HZ1 LYS 22 -11.149 19.395 -14.448 189 HZ2 LYS 22 HZ2 LYS 22 -10.785 20.429 -13.159 190 HZ3 LYS 22 HZ3 LYS 22 -11.285 18.851 -12.858 191 H LYS 23 HN LYS 23 -10.542 14.593 -8.934 192 HA LYS 23 HA LYS 23 -10.444 14.016 -11.849 193 HB2 LYS 23 HB1 LYS 23 -11.637 11.971 -11.457 194 HB3 LYS 23 HB2 LYS 23 -10.169 11.996 -10.405 195 HG2 LYS 23 HG1 LYS 23 -11.619 12.760 -8.496 196 HG3 LYS 23 HG2 LYS 23 -13.080 12.527 -9.515 197 HD2 LYS 23 HD1 LYS 23 -11.007 10.344 -8.938 198 HD3 LYS 23 HD2 LYS 23 -12.431 10.628 -7.904 199 HE2 LYS 23 HE1 LYS 23 -14.001 10.112 -9.726 200 HE3 LYS 23 HE2 LYS 23 -12.659 9.964 -10.906 201 HZ1 LYS 23 HZ1 LYS 23 -13.586 7.861 -9.797 202 HZ2 LYS 23 HZ2 LYS 23 -12.661 8.356 -8.458 203 HZ3 LYS 23 HZ3 LYS 23 -11.900 8.058 -9.915 204 H ABA 24 HN AGL 24 -11.686 16.184 -9.920 205 HA ABA 24 HA AGL 24 -14.482 16.013 -10.849 206 HB3 ABA 24 HB2 AGL 24 -14.958 17.673 -9.031 207 HB2 ABA 24 HB1 AGL 24 -13.214 17.705 -8.625 208 HG3 ABA 24 HG AGL 24 -14.806 15.025 -8.608 Start of MODEL 15 1 H1 PHE 1 HN PHE 1 3.514 3.979 -7.512 2 HA PHE 1 HA PHE 1 5.385 3.612 -5.385 3 HB2 PHE 1 HB1 PHE 1 5.102 6.051 -4.965 4 HB3 PHE 1 HB2 PHE 1 5.378 5.727 -6.710 5 HD1 PHE 1 HD1 PHE 1 3.555 6.056 -8.354 6 HD2 PHE 1 HD2 PHE 1 2.963 6.850 -4.174 7 HE1 PHE 1 HE1 PHE 1 1.501 7.330 -8.886 8 HE2 PHE 1 HE2 PHE 1 0.921 8.143 -4.707 9 HZ PHE 1 HZ PHE 1 0.182 8.378 -7.065 10 H LEU 2 HN LEU 2 2.119 3.081 -5.757 11 HA LEU 2 HA LEU 2 1.772 2.479 -2.976 12 HB2 LEU 2 HB1 LEU 2 0.045 4.498 -4.553 13 HB3 LEU 2 HB2 LEU 2 -0.705 3.520 -3.253 14 HG LEU 2 HG LEU 2 1.637 5.438 -2.818 15 HD11 LEU 2 HD11 LEU 2 -0.066 6.927 -1.763 16 HD12 LEU 2 HD12 LEU 2 -1.374 5.764 -2.203 17 HD13 LEU 2 HD13 LEU 2 -0.458 6.625 -3.499 18 HD21 LEU 2 HD21 LEU 2 1.599 3.621 -1.122 19 HD22 LEU 2 HD22 LEU 2 -0.165 3.899 -0.833 20 HD23 LEU 2 HD23 LEU 2 1.039 5.163 -0.389 21 HA PRO 3 HA PRO 3 -0.753 -0.207 -5.627 22 HB2 PRO 3 HB1 PRO 3 -1.669 -2.028 -3.818 23 HB3 PRO 3 HB2 PRO 3 0.096 -1.759 -3.976 24 HG2 PRO 3 HG1 PRO 3 -1.740 -0.486 -1.866 25 HG3 PRO 3 HG2 PRO 3 -0.209 -1.419 -1.599 26 HD2 PRO 3 HD1 PRO 3 -0.326 1.401 -1.855 27 HD3 PRO 3 HD2 PRO 3 1.130 0.402 -2.305 28 H ILE 4 HN ILE 4 -3.237 -1.211 -4.099 29 HA ILE 4 HA ILE 4 -5.144 0.382 -5.111 30 HB ILE 4 HB ILE 4 -6.758 -0.755 -3.669 31 HG12 ILE 4 HG11 ILE 4 -4.298 -2.069 -2.340 32 HG13 ILE 4 HG12 ILE 4 -5.363 -0.852 -1.567 33 HG21 ILE 4 HG21 ILE 4 -4.593 -2.611 -4.871 34 HG22 ILE 4 HG22 ILE 4 -6.342 -2.965 -4.655 35 HG23 ILE 4 HG23 ILE 4 -5.832 -1.701 -5.817 36 HD11 ILE 4 HD1 ILE 4 -7.342 -2.402 -1.857 37 HD12 ILE 4 HD2 ILE 4 -6.234 -3.657 -2.521 38 HD13 ILE 4 HD3 ILE 4 -6.041 -3.099 -0.825 39 H LEU 5 HN LEU 5 -3.510 1.149 -2.119 40 HA LEU 5 HA LEU 5 -5.498 2.521 -0.795 41 HB2 LEU 5 HB1 LEU 5 -2.510 3.187 -0.866 42 HB3 LEU 5 HB2 LEU 5 -3.666 3.635 0.428 43 HG LEU 5 HG LEU 5 -2.819 0.767 -0.325 44 HD11 LEU 5 HD11 LEU 5 -2.151 2.495 2.131 45 HD12 LEU 5 HD12 LEU 5 -1.018 2.087 0.789 46 HD13 LEU 5 HD13 LEU 5 -1.656 0.787 1.865 47 HD21 LEU 5 HD21 LEU 5 -4.672 1.766 1.932 48 HD22 LEU 5 HD22 LEU 5 -4.015 0.098 1.785 49 HD23 LEU 5 HD23 LEU 5 -5.145 0.720 0.536 50 H ALA 6 HN ALA 6 -3.431 3.826 -3.430 51 HA ALA 6 HA ALA 6 -4.401 6.484 -3.277 52 HB1 ALA 6 HB1 ALA 6 -3.545 6.590 -5.658 53 HB2 ALA 6 HB2 ALA 6 -2.360 5.775 -4.577 54 HB3 ALA 6 HB3 ALA 6 -3.396 4.791 -5.665 55 H SER 7 HN SER 7 -5.577 3.601 -5.104 56 HA SER 7 HA SER 7 -7.763 4.890 -6.328 57 HB2 SER 7 HB1 SER 7 -7.521 1.904 -5.638 58 HB3 SER 7 HB2 SER 7 -8.554 2.633 -6.913 59 HG SER 7 HG1 SER 7 -6.737 3.030 -8.103 60 H LEU 8 HN LEU 8 -7.486 3.121 -3.223 61 HA LEU 8 HA LEU 8 -10.240 3.243 -2.607 62 HB2 LEU 8 HB1 LEU 8 -7.793 3.006 -0.796 63 HB3 LEU 8 HB2 LEU 8 -9.478 2.904 -0.195 64 HG LEU 8 HG LEU 8 -8.232 0.990 -2.250 65 HD11 LEU 8 HD11 LEU 8 -7.241 0.769 0.038 66 HD12 LEU 8 HD12 LEU 8 -8.259 -0.662 -0.382 67 HD13 LEU 8 HD13 LEU 8 -8.892 0.598 0.738 68 HD21 LEU 8 HD21 LEU 8 -10.956 0.907 -0.797 69 HD22 LEU 8 HD22 LEU 8 -10.262 -0.422 -1.793 70 HD23 LEU 8 HD23 LEU 8 -10.702 1.137 -2.576 71 H ALA 9 HN ALA 9 -7.590 5.543 -1.908 72 HA ALA 9 HA ALA 9 -9.145 7.439 -0.587 73 HB1 ALA 9 HB1 ALA 9 -6.640 7.515 -0.748 74 HB2 ALA 9 HB2 ALA 9 -6.771 7.892 -2.502 75 HB3 ALA 9 HB3 ALA 9 -7.391 9.064 -1.277 76 H ALA 10 HN ALA 10 -8.716 6.873 -4.122 77 HA ALA 10 HA ALA 10 -10.437 8.941 -4.888 78 HB1 ALA 10 HB1 ALA 10 -10.452 7.823 -7.085 79 HB2 ALA 10 HB2 ALA 10 -8.830 7.492 -6.365 80 HB3 ALA 10 HB3 ALA 10 -10.088 6.221 -6.357 81 H LYS 11 HN LYS 11 -11.227 5.493 -4.383 82 HA LYS 11 HA LYS 11 -13.882 5.864 -5.301 83 HB2 LYS 11 HB1 LYS 11 -12.557 3.795 -5.563 84 HB3 LYS 11 HB2 LYS 11 -12.598 3.503 -3.803 85 HG2 LYS 11 HG1 LYS 11 -15.189 3.755 -5.451 86 HG3 LYS 11 HG2 LYS 11 -14.246 2.233 -5.467 87 HD2 LYS 11 HD1 LYS 11 -14.474 1.932 -3.052 88 HD3 LYS 11 HD2 LYS 11 -15.247 3.531 -2.869 89 HE2 LYS 11 HE1 LYS 11 -17.169 2.676 -4.394 90 HE3 LYS 11 HE2 LYS 11 -16.468 1.021 -4.157 91 HZ1 LYS 11 HZ1 LYS 11 -18.082 1.405 -2.465 92 HZ2 LYS 11 HZ2 LYS 11 -17.436 2.931 -2.091 93 HZ3 LYS 11 HZ3 LYS 11 -16.560 1.548 -1.713 94 H PHE 12 HN PHE 12 -12.567 5.524 -1.967 95 HA PHE 12 HA PHE 12 -15.315 5.837 -0.931 96 HB2 PHE 12 HB1 PHE 12 -12.630 5.010 0.319 97 HB3 PHE 12 HB2 PHE 12 -14.046 5.470 1.332 98 HD1 PHE 12 HD1 PHE 12 -16.186 4.252 1.145 99 HD2 PHE 12 HD2 PHE 12 -12.575 2.810 -0.664 100 HE1 PHE 12 HE1 PHE 12 -17.107 1.956 1.160 101 HE2 PHE 12 HE2 PHE 12 -13.496 0.506 -0.669 102 HZ PHE 12 HZ PHE 12 -15.753 0.071 0.267 103 H GLY 13 HN GLY 13 -12.626 7.683 -1.788 104 HA2 GLY 13 HA1 GLY 13 -13.966 9.973 -0.473 105 HA3 GLY 13 HA2 GLY 13 -12.225 9.864 -0.929 106 HA PRO 14 HA PRO 14 -14.383 10.553 -5.049 107 HB2 PRO 14 HB1 PRO 14 -17.057 11.436 -5.048 108 HB3 PRO 14 HB2 PRO 14 -16.574 9.710 -5.237 109 HG2 PRO 14 HG1 PRO 14 -17.417 11.115 -2.645 110 HG3 PRO 14 HG2 PRO 14 -18.016 9.543 -3.313 111 HD2 PRO 14 HD1 PRO 14 -16.035 9.585 -1.396 112 HD3 PRO 14 HD2 PRO 14 -15.937 8.424 -2.792 113 H LYS 15 HN LYS 15 -15.569 12.291 -2.185 114 HA LYS 15 HA LYS 15 -14.817 14.842 -3.119 115 HB2 LYS 15 HB1 LYS 15 -15.210 15.729 -1.060 116 HB3 LYS 15 HB2 LYS 15 -16.349 14.367 -1.135 117 HG2 LYS 15 HG1 LYS 15 -13.674 14.467 0.431 118 HG3 LYS 15 HG2 LYS 15 -15.315 14.755 1.080 119 HD2 LYS 15 HD1 LYS 15 -15.919 12.361 0.272 120 HD3 LYS 15 HD2 LYS 15 -14.161 12.086 0.097 121 HE2 LYS 15 HE1 LYS 15 -15.714 12.832 2.680 122 HE3 LYS 15 HE2 LYS 15 -14.996 11.221 2.286 123 HZ1 LYS 15 HZ1 LYS 15 -13.493 13.764 2.692 124 HZ2 LYS 15 HZ2 LYS 15 -12.801 12.258 2.335 125 HZ3 LYS 15 HZ3 LYS 15 -13.624 12.490 3.796 126 H LEU 16 HN LEU 16 -12.817 12.237 -1.743 127 HA LEU 16 HA LEU 16 -10.590 13.998 -1.269 128 HB2 LEU 16 HB1 LEU 16 -10.563 10.956 -1.420 129 HB3 LEU 16 HB2 LEU 16 -9.209 11.997 -0.916 130 HG LEU 16 HG LEU 16 -11.884 11.786 0.565 131 HD11 LEU 16 HD11 LEU 16 -10.554 10.517 2.285 132 HD12 LEU 16 HD12 LEU 16 -9.104 10.628 1.232 133 HD13 LEU 16 HD13 LEU 16 -10.527 9.682 0.685 134 HD21 LEU 16 HD21 LEU 16 -9.241 13.237 1.242 135 HD22 LEU 16 HD22 LEU 16 -10.572 13.012 2.416 136 HD23 LEU 16 HD23 LEU 16 -10.824 14.026 0.936 137 H PHE 17 HN PHE 17 -11.352 11.615 -3.957 138 HA PHE 17 HA PHE 17 -8.975 12.489 -5.266 139 HB2 PHE 17 HB1 PHE 17 -11.046 10.515 -5.904 140 HB3 PHE 17 HB2 PHE 17 -10.735 11.521 -7.347 141 HD1 PHE 17 HD1 PHE 17 -9.481 10.177 -8.756 142 HD2 PHE 17 HD2 PHE 17 -8.262 10.448 -4.634 143 HE1 PHE 17 HE1 PHE 17 -7.462 8.833 -9.252 144 HE2 PHE 17 HE2 PHE 17 -6.251 9.130 -5.144 145 HZ PHE 17 HZ PHE 17 -5.849 8.298 -7.442 146 H ABA 18 HN AGL 18 -12.286 13.788 -5.477 147 HA ABA 18 HA AGL 18 -11.699 15.588 -7.556 148 HB3 ABA 18 HB2 AGL 18 -13.506 17.052 -6.303 149 HB2 ABA 18 HB1 AGL 18 -13.647 15.670 -5.191 150 HG3 ABA 18 HG AGL 18 -14.501 14.195 -6.998 151 H LEU 19 HN LEU 19 -11.016 15.881 -4.014 152 HA LEU 19 HA LEU 19 -9.837 18.465 -4.480 153 HB2 LEU 19 HB1 LEU 19 -10.955 17.681 -2.351 154 HB3 LEU 19 HB2 LEU 19 -9.561 16.614 -2.042 155 HG LEU 19 HG LEU 19 -9.628 18.770 -0.757 156 HD11 LEU 19 HD11 LEU 19 -7.282 19.353 -0.865 157 HD12 LEU 19 HD12 LEU 19 -7.114 18.691 -2.521 158 HD13 LEU 19 HD13 LEU 19 -7.436 17.576 -1.138 159 HD21 LEU 19 HD21 LEU 19 -9.096 20.937 -1.781 160 HD22 LEU 19 HD22 LEU 19 -10.572 20.249 -2.561 161 HD23 LEU 19 HD23 LEU 19 -8.980 20.192 -3.411 162 H VAL 20 HN VAL 20 -8.398 15.250 -3.645 163 HA VAL 20 HA VAL 20 -5.764 16.185 -3.659 164 HB VAL 20 HB VAL 20 -6.890 13.355 -3.774 165 HG11 VAL 20 HG11 VAL 20 -4.588 12.684 -2.910 166 HG12 VAL 20 HG12 VAL 20 -4.540 13.269 -4.608 167 HG13 VAL 20 HG13 VAL 20 -3.999 14.348 -3.268 168 HG21 VAL 20 HG21 VAL 20 -5.760 15.112 -1.483 169 HG22 VAL 20 HG22 VAL 20 -7.499 14.690 -1.712 170 HG23 VAL 20 HG23 VAL 20 -6.300 13.403 -1.321 171 H THR 21 HN THR 21 -7.606 14.494 -6.263 172 HA THR 21 HA THR 21 -5.153 14.791 -7.924 173 HB THR 21 HB THR 21 -5.916 13.171 -9.462 174 HG1 THR 21 HG1 THR 21 -8.206 13.055 -7.801 175 HG21 THR 21 HG21 THR 21 -4.621 12.463 -7.421 176 HG22 THR 21 HG22 THR 21 -5.718 11.185 -8.053 177 HG23 THR 21 HG23 THR 21 -6.178 12.112 -6.573 178 H LYS 22 HN LYS 22 -7.982 16.409 -7.359 179 HA LYS 22 HA LYS 22 -9.173 17.902 -8.474 180 HB2 LYS 22 HB1 LYS 22 -6.650 18.530 -8.746 181 HB3 LYS 22 HB2 LYS 22 -6.893 18.207 -10.473 182 HG2 LYS 22 HG1 LYS 22 -8.510 20.195 -8.719 183 HG3 LYS 22 HG2 LYS 22 -7.032 20.656 -9.592 184 HD2 LYS 22 HD1 LYS 22 -9.717 19.778 -10.827 185 HD3 LYS 22 HD2 LYS 22 -9.078 21.435 -10.766 186 HE2 LYS 22 HE1 LYS 22 -7.915 19.075 -12.424 187 HE3 LYS 22 HE2 LYS 22 -8.836 20.494 -13.046 188 HZ1 LYS 22 HZ1 LYS 22 -7.048 21.910 -12.242 189 HZ2 LYS 22 HZ2 LYS 22 -6.464 20.730 -13.321 190 HZ3 LYS 22 HZ3 LYS 22 -6.216 20.548 -11.650 191 H LYS 23 HN LYS 23 -9.973 15.290 -9.250 192 HA LYS 23 HA LYS 23 -10.515 15.638 -12.148 193 HB2 LYS 23 HB1 LYS 23 -10.697 13.120 -10.455 194 HB3 LYS 23 HB2 LYS 23 -11.237 13.278 -12.156 195 HG2 LYS 23 HG1 LYS 23 -8.751 14.256 -12.530 196 HG3 LYS 23 HG2 LYS 23 -8.407 13.376 -11.022 197 HD2 LYS 23 HD1 LYS 23 -7.831 11.913 -12.812 198 HD3 LYS 23 HD2 LYS 23 -9.365 11.263 -12.147 199 HE2 LYS 23 HE1 LYS 23 -10.642 12.302 -14.067 200 HE3 LYS 23 HE2 LYS 23 -9.121 13.072 -14.669 201 HZ1 LYS 23 HZ1 LYS 23 -8.206 10.876 -15.029 202 HZ2 LYS 23 HZ2 LYS 23 -9.662 11.064 -15.870 203 HZ3 LYS 23 HZ3 LYS 23 -9.622 10.140 -14.451 204 H ABA 24 HN AGL 24 -11.880 17.077 -9.880 205 HA ABA 24 HA AGL 24 -14.578 16.614 -10.987 206 HB3 ABA 24 HB2 AGL 24 -15.513 17.711 -8.917 207 HB2 ABA 24 HB1 AGL 24 -13.864 17.766 -8.227 208 HG3 ABA 24 HG AGL 24 -15.381 15.130 -9.006 Start of MODEL 16 1 H1 PHE 1 HN PHE 1 -0.212 3.898 -8.349 2 HA PHE 1 HA PHE 1 2.359 3.151 -7.846 3 HB2 PHE 1 HB1 PHE 1 2.861 5.430 -8.950 4 HB3 PHE 1 HB2 PHE 1 1.935 6.216 -7.626 5 HD1 PHE 1 HD1 PHE 1 3.175 6.929 -5.770 6 HD2 PHE 1 HD2 PHE 1 4.737 3.727 -8.162 7 HE1 PHE 1 HE1 PHE 1 5.202 6.862 -4.347 8 HE2 PHE 1 HE2 PHE 1 6.767 3.652 -6.745 9 HZ PHE 1 HZ PHE 1 6.999 5.216 -4.826 10 H LEU 2 HN LEU 2 2.850 3.689 -5.436 11 HA LEU 2 HA LEU 2 2.271 2.997 -3.418 12 HB2 LEU 2 HB1 LEU 2 -0.193 4.641 -3.998 13 HB3 LEU 2 HB2 LEU 2 -0.330 3.444 -2.700 14 HG LEU 2 HG LEU 2 1.707 4.422 -1.581 15 HD11 LEU 2 HD11 LEU 2 1.304 6.668 -3.660 16 HD12 LEU 2 HD12 LEU 2 2.762 5.620 -3.486 17 HD13 LEU 2 HD13 LEU 2 2.331 6.787 -2.181 18 HD21 LEU 2 HD21 LEU 2 -0.711 6.285 -2.026 19 HD22 LEU 2 HD22 LEU 2 0.424 6.332 -0.625 20 HD23 LEU 2 HD23 LEU 2 -0.640 4.897 -0.875 21 HA PRO 3 HA PRO 3 -0.368 -0.684 -4.130 22 HB2 PRO 3 HB1 PRO 3 -1.380 -1.296 -1.608 23 HB3 PRO 3 HB2 PRO 3 0.342 -1.602 -2.039 24 HG2 PRO 3 HG1 PRO 3 -0.784 0.883 -0.621 25 HG3 PRO 3 HG2 PRO 3 0.550 -0.205 -0.050 26 HD2 PRO 3 HD1 PRO 3 1.059 2.120 -1.438 27 HD3 PRO 3 HD2 PRO 3 2.044 0.627 -1.767 28 H ILE 4 HN ILE 4 -2.886 -1.163 -3.286 29 HA ILE 4 HA ILE 4 -4.395 0.507 -4.719 30 HB ILE 4 HB ILE 4 -6.391 -0.518 -3.695 31 HG12 ILE 4 HG11 ILE 4 -4.381 -1.933 -1.824 32 HG13 ILE 4 HG12 ILE 4 -5.527 -0.647 -1.321 33 HG21 ILE 4 HG21 ILE 4 -5.865 -2.763 -4.543 34 HG22 ILE 4 HG22 ILE 4 -5.045 -1.538 -5.563 35 HG23 ILE 4 HG23 ILE 4 -4.098 -2.487 -4.354 36 HD11 ILE 4 HD1 ILE 4 -7.467 -2.103 -2.048 37 HD12 ILE 4 HD2 ILE 4 -6.305 -3.425 -2.435 38 HD13 ILE 4 HD3 ILE 4 -6.473 -2.843 -0.743 39 H LEU 5 HN LEU 5 -3.591 1.225 -1.427 40 HA LEU 5 HA LEU 5 -5.559 2.752 -0.453 41 HB2 LEU 5 HB1 LEU 5 -2.581 3.432 -0.330 42 HB3 LEU 5 HB2 LEU 5 -3.835 3.886 0.869 43 HG LEU 5 HG LEU 5 -2.851 1.032 0.237 44 HD11 LEU 5 HD11 LEU 5 -1.207 2.429 1.489 45 HD12 LEU 5 HD12 LEU 5 -1.888 1.111 2.515 46 HD13 LEU 5 HD13 LEU 5 -2.469 2.801 2.725 47 HD21 LEU 5 HD21 LEU 5 -4.197 0.343 2.249 48 HD22 LEU 5 HD22 LEU 5 -5.235 0.892 0.892 49 HD23 LEU 5 HD23 LEU 5 -4.936 1.983 2.306 50 H ALA 6 HN ALA 6 -3.240 4.044 -2.923 51 HA ALA 6 HA ALA 6 -4.231 6.694 -2.843 52 HB1 ALA 6 HB1 ALA 6 -2.058 6.036 -3.902 53 HB2 ALA 6 HB2 ALA 6 -2.934 5.053 -5.120 54 HB3 ALA 6 HB3 ALA 6 -3.113 6.848 -5.112 55 H SER 7 HN SER 7 -5.211 3.872 -4.867 56 HA SER 7 HA SER 7 -7.343 5.204 -6.181 57 HB2 SER 7 HB1 SER 7 -7.016 2.192 -5.653 58 HB3 SER 7 HB2 SER 7 -8.040 2.947 -6.923 59 HG SER 7 HG1 SER 7 -6.189 3.512 -8.009 60 H LEU 8 HN LEU 8 -7.151 3.356 -3.114 61 HA LEU 8 HA LEU 8 -9.965 3.340 -2.707 62 HB2 LEU 8 HB1 LEU 8 -7.711 3.166 -0.655 63 HB3 LEU 8 HB2 LEU 8 -9.447 2.969 -0.268 64 HG LEU 8 HG LEU 8 -7.835 1.154 -2.144 65 HD11 LEU 8 HD11 LEU 8 -9.004 0.683 0.677 66 HD12 LEU 8 HD12 LEU 8 -7.263 0.930 0.288 67 HD13 LEU 8 HD13 LEU 8 -8.127 -0.531 -0.324 68 HD21 LEU 8 HD21 LEU 8 -10.773 0.973 -1.203 69 HD22 LEU 8 HD22 LEU 8 -9.874 -0.332 -2.061 70 HD23 LEU 8 HD23 LEU 8 -10.204 1.221 -2.904 71 H ALA 9 HN ALA 9 -7.484 5.743 -1.835 72 HA ALA 9 HA ALA 9 -9.184 7.555 -0.584 73 HB1 ALA 9 HB1 ALA 9 -6.683 7.762 -0.645 74 HB2 ALA 9 HB2 ALA 9 -6.764 8.131 -2.402 75 HB3 ALA 9 HB3 ALA 9 -7.489 9.271 -1.210 76 H ALA 10 HN ALA 10 -8.604 6.998 -4.092 77 HA ALA 10 HA ALA 10 -10.367 8.987 -4.972 78 HB1 ALA 10 HB1 ALA 10 -8.691 7.445 -6.345 79 HB2 ALA 10 HB2 ALA 10 -10.003 6.232 -6.370 80 HB3 ALA 10 HB3 ALA 10 -10.276 7.830 -7.125 81 H LYS 11 HN LYS 11 -11.002 5.533 -4.352 82 HA LYS 11 HA LYS 11 -13.652 5.704 -5.328 83 HB2 LYS 11 HB1 LYS 11 -12.208 3.718 -5.499 84 HB3 LYS 11 HB2 LYS 11 -12.242 3.485 -3.732 85 HG2 LYS 11 HG1 LYS 11 -14.851 3.571 -5.340 86 HG3 LYS 11 HG2 LYS 11 -13.838 2.098 -5.406 87 HD2 LYS 11 HD1 LYS 11 -14.038 1.678 -3.039 88 HD3 LYS 11 HD2 LYS 11 -14.709 3.301 -2.724 89 HE2 LYS 11 HE1 LYS 11 -16.757 2.661 -4.166 90 HE3 LYS 11 HE2 LYS 11 -16.147 0.955 -4.109 91 HZ1 LYS 11 HZ1 LYS 11 -16.842 2.731 -1.822 92 HZ2 LYS 11 HZ2 LYS 11 -16.096 1.235 -1.641 93 HZ3 LYS 11 HZ3 LYS 11 -17.660 1.324 -2.308 94 H PHE 12 HN PHE 12 -12.399 5.579 -1.961 95 HA PHE 12 HA PHE 12 -15.177 5.775 -0.977 96 HB2 PHE 12 HB1 PHE 12 -12.462 5.178 0.341 97 HB3 PHE 12 HB2 PHE 12 -13.905 5.618 1.322 98 HD1 PHE 12 HD1 PHE 12 -15.950 4.260 1.267 99 HD2 PHE 12 HD2 PHE 12 -12.299 2.942 -0.555 100 HE1 PHE 12 HE1 PHE 12 -16.744 1.919 1.393 101 HE2 PHE 12 HE2 PHE 12 -13.091 0.593 -0.446 102 HZ PHE 12 HZ PHE 12 -15.307 0.077 0.545 103 H GLY 13 HN GLY 13 -12.655 7.763 -1.946 104 HA2 GLY 13 HA1 GLY 13 -14.133 9.998 -0.697 105 HA3 GLY 13 HA2 GLY 13 -12.365 9.981 -1.046 106 HA PRO 14 HA PRO 14 -14.437 10.558 -5.251 107 HB2 PRO 14 HB1 PRO 14 -17.139 11.384 -5.244 108 HB3 PRO 14 HB2 PRO 14 -16.603 9.679 -5.488 109 HG2 PRO 14 HG1 PRO 14 -17.500 10.975 -2.857 110 HG3 PRO 14 HG2 PRO 14 -18.044 9.405 -3.577 111 HD2 PRO 14 HD1 PRO 14 -16.087 9.441 -1.649 112 HD3 PRO 14 HD2 PRO 14 -15.919 8.343 -3.087 113 H LYS 15 HN LYS 15 -15.624 12.251 -2.363 114 HA LYS 15 HA LYS 15 -14.909 14.815 -3.304 115 HB2 LYS 15 HB1 LYS 15 -15.150 15.715 -1.185 116 HB3 LYS 15 HB2 LYS 15 -16.467 14.548 -1.422 117 HG2 LYS 15 HG1 LYS 15 -13.933 14.093 0.306 118 HG3 LYS 15 HG2 LYS 15 -15.519 14.689 0.873 119 HD2 LYS 15 HD1 LYS 15 -16.535 12.509 -0.141 120 HD3 LYS 15 HD2 LYS 15 -14.865 11.867 -0.126 121 HE2 LYS 15 HE1 LYS 15 -16.511 12.912 2.300 122 HE3 LYS 15 HE2 LYS 15 -16.198 11.179 1.902 123 HZ1 LYS 15 HZ1 LYS 15 -13.854 11.551 2.286 124 HZ2 LYS 15 HZ2 LYS 15 -14.751 12.028 3.635 125 HZ3 LYS 15 HZ3 LYS 15 -14.116 13.199 2.595 126 H LEU 16 HN LEU 16 -12.829 12.267 -1.858 127 HA LEU 16 HA LEU 16 -10.601 14.070 -1.586 128 HB2 LEU 16 HB1 LEU 16 -10.747 11.030 -1.508 129 HB3 LEU 16 HB2 LEU 16 -9.206 11.899 -1.615 130 HG LEU 16 HG LEU 16 -9.625 13.130 0.467 131 HD11 LEU 16 HD11 LEU 16 -11.308 12.289 2.095 132 HD12 LEU 16 HD12 LEU 16 -12.035 11.239 0.814 133 HD13 LEU 16 HD13 LEU 16 -12.094 13.056 0.660 134 HD21 LEU 16 HD21 LEU 16 -9.132 11.175 1.946 135 HD22 LEU 16 HD22 LEU 16 -8.257 11.061 0.380 136 HD23 LEU 16 HD23 LEU 16 -9.721 10.052 0.661 137 H PHE 17 HN PHE 17 -11.559 11.667 -4.178 138 HA PHE 17 HA PHE 17 -9.300 12.467 -5.691 139 HB2 PHE 17 HB1 PHE 17 -11.296 10.440 -6.006 140 HB3 PHE 17 HB2 PHE 17 -11.468 11.466 -7.459 141 HD1 PHE 17 HD1 PHE 17 -10.386 10.352 -9.211 142 HD2 PHE 17 HD2 PHE 17 -8.421 10.452 -5.386 143 HE1 PHE 17 HE1 PHE 17 -8.445 9.134 -10.160 144 HE2 PHE 17 HE2 PHE 17 -6.518 9.211 -6.327 145 HZ PHE 17 HZ PHE 17 -6.511 8.561 -8.718 146 H ABA 18 HN AGL 18 -12.594 13.844 -5.664 147 HA ABA 18 HA AGL 18 -11.998 15.652 -7.758 148 HB3 ABA 18 HB2 AGL 18 -13.848 17.098 -6.566 149 HB2 ABA 18 HB1 AGL 18 -14.038 15.695 -5.486 150 HG3 ABA 18 HG AGL 18 -14.956 14.331 -7.294 151 H LEU 19 HN LEU 19 -11.159 15.818 -4.284 152 HA LEU 19 HA LEU 19 -10.153 18.524 -4.738 153 HB2 LEU 19 HB1 LEU 19 -11.419 18.058 -2.677 154 HB3 LEU 19 HB2 LEU 19 -10.254 16.784 -2.222 155 HG LEU 19 HG LEU 19 -8.437 18.503 -2.023 156 HD11 LEU 19 HD11 LEU 19 -9.016 20.944 -2.025 157 HD12 LEU 19 HD12 LEU 19 -10.655 20.552 -2.668 158 HD13 LEU 19 HD13 LEU 19 -9.179 20.214 -3.657 159 HD21 LEU 19 HD21 LEU 19 -9.275 19.606 0.029 160 HD22 LEU 19 HD22 LEU 19 -9.798 17.882 -0.037 161 HD23 LEU 19 HD23 LEU 19 -10.973 19.201 -0.423 162 H VAL 20 HN VAL 20 -8.667 15.515 -3.360 163 HA VAL 20 HA VAL 20 -6.095 16.651 -3.198 164 HB VAL 20 HB VAL 20 -6.981 13.722 -3.095 165 HG11 VAL 20 HG11 VAL 20 -4.525 13.876 -3.481 166 HG12 VAL 20 HG12 VAL 20 -4.370 15.125 -2.191 167 HG13 VAL 20 HG13 VAL 20 -4.829 13.432 -1.771 168 HG21 VAL 20 HG21 VAL 20 -6.573 15.845 -0.880 169 HG22 VAL 20 HG22 VAL 20 -8.152 15.118 -1.371 170 HG23 VAL 20 HG23 VAL 20 -6.889 14.095 -0.597 171 H THR 21 HN THR 21 -7.503 14.255 -5.458 172 HA THR 21 HA THR 21 -5.069 14.481 -7.105 173 HB THR 21 HB THR 21 -7.354 12.564 -7.620 174 HG1 THR 21 HG1 THR 21 -6.073 11.143 -6.404 175 HG21 THR 21 HG21 THR 21 -5.545 12.741 -9.406 176 HG22 THR 21 HG22 THR 21 -5.411 11.181 -8.533 177 HG23 THR 21 HG23 THR 21 -4.285 12.529 -8.137 178 H LYS 22 HN LYS 22 -7.750 16.169 -6.806 179 HA LYS 22 HA LYS 22 -9.137 17.358 -8.012 180 HB2 LYS 22 HB1 LYS 22 -6.544 18.130 -8.222 181 HB3 LYS 22 HB2 LYS 22 -6.983 18.190 -9.933 182 HG2 LYS 22 HG1 LYS 22 -8.339 19.576 -7.524 183 HG3 LYS 22 HG2 LYS 22 -7.250 20.373 -8.685 184 HD2 LYS 22 HD1 LYS 22 -10.071 19.270 -9.359 185 HD3 LYS 22 HD2 LYS 22 -9.673 20.937 -8.901 186 HE2 LYS 22 HE1 LYS 22 -9.489 21.435 -11.085 187 HE3 LYS 22 HE2 LYS 22 -7.888 20.602 -11.025 188 HZ1 LYS 22 HZ1 LYS 22 -9.059 18.551 -11.612 189 HZ2 LYS 22 HZ2 LYS 22 -9.260 19.737 -12.815 190 HZ3 LYS 22 HZ3 LYS 22 -10.509 19.354 -11.725 191 H LYS 23 HN LYS 23 -9.835 14.895 -8.974 192 HA LYS 23 HA LYS 23 -9.795 15.048 -11.898 193 HB2 LYS 23 HB1 LYS 23 -10.654 12.987 -9.859 194 HB3 LYS 23 HB2 LYS 23 -11.158 12.802 -11.562 195 HG2 LYS 23 HG1 LYS 23 -8.226 13.403 -11.218 196 HG3 LYS 23 HG2 LYS 23 -8.762 11.894 -10.451 197 HD2 LYS 23 HD1 LYS 23 -8.001 11.366 -12.672 198 HD3 LYS 23 HD2 LYS 23 -9.771 11.088 -12.577 199 HE2 LYS 23 HE1 LYS 23 -10.174 13.264 -13.814 200 HE3 LYS 23 HE2 LYS 23 -8.389 13.546 -13.878 201 HZ1 LYS 23 HZ1 LYS 23 -9.229 12.579 -15.917 202 HZ2 LYS 23 HZ2 LYS 23 -9.848 11.240 -15.091 203 HZ3 LYS 23 HZ3 LYS 23 -8.175 11.499 -15.153 204 H ABA 24 HN AGL 24 -11.769 16.479 -9.626 205 HA ABA 24 HA AGL 24 -14.134 16.377 -11.387 206 HB3 ABA 24 HB2 AGL 24 -15.244 17.757 -9.589 207 HB2 ABA 24 HB1 AGL 24 -13.726 17.707 -8.649 208 HG3 ABA 24 HG AGL 24 -15.432 15.202 -9.469 Start of MODEL 17 1 H1 PHE 1 HN PHE 1 3.324 2.247 1.169 2 HA PHE 1 HA PHE 1 4.467 0.564 -0.254 3 HB2 PHE 1 HB1 PHE 1 3.484 -0.068 1.974 4 HB3 PHE 1 HB2 PHE 1 1.890 -0.343 1.208 5 HD1 PHE 1 HD1 PHE 1 1.586 -2.601 1.744 6 HD2 PHE 1 HD2 PHE 1 5.325 -1.452 -0.054 7 HE1 PHE 1 HE1 PHE 1 2.227 -4.981 1.539 8 HE2 PHE 1 HE2 PHE 1 5.952 -3.822 -0.256 9 HZ PHE 1 HZ PHE 1 4.420 -5.594 0.550 10 H LEU 2 HN LEU 2 1.289 -0.811 -0.608 11 HA LEU 2 HA LEU 2 1.330 -1.380 -3.245 12 HB2 LEU 2 HB1 LEU 2 -1.169 -0.539 -1.686 13 HB3 LEU 2 HB2 LEU 2 -1.106 -1.631 -3.115 14 HG LEU 2 HG LEU 2 0.070 -2.242 -0.340 15 HD11 LEU 2 HD11 LEU 2 -2.423 -2.168 -0.346 16 HD12 LEU 2 HD12 LEU 2 -1.806 -3.847 -0.134 17 HD13 LEU 2 HD13 LEU 2 -2.458 -3.324 -1.731 18 HD21 LEU 2 HD21 LEU 2 1.322 -3.404 -2.172 19 HD22 LEU 2 HD22 LEU 2 -0.232 -4.049 -2.829 20 HD23 LEU 2 HD23 LEU 2 0.346 -4.558 -1.199 21 HA PRO 3 HA PRO 3 0.797 2.534 -5.242 22 HB2 PRO 3 HB1 PRO 3 -0.081 1.813 -7.815 23 HB3 PRO 3 HB2 PRO 3 1.588 1.467 -7.223 24 HG2 PRO 3 HG1 PRO 3 -0.824 -0.436 -7.191 25 HG3 PRO 3 HG2 PRO 3 0.837 -0.760 -7.836 26 HD2 PRO 3 HD1 PRO 3 0.127 -1.551 -5.294 27 HD3 PRO 3 HD2 PRO 3 1.775 -0.833 -5.596 28 H ILE 4 HN ILE 4 -1.858 0.284 -5.129 29 HA ILE 4 HA ILE 4 -3.980 1.870 -5.841 30 HB ILE 4 HB ILE 4 -5.469 0.420 -4.658 31 HG12 ILE 4 HG11 ILE 4 -3.012 -1.006 -3.496 32 HG13 ILE 4 HG12 ILE 4 -4.046 0.122 -2.555 33 HG21 ILE 4 HG21 ILE 4 -4.919 -1.624 -5.905 34 HG22 ILE 4 HG22 ILE 4 -4.467 -0.191 -6.885 35 HG23 ILE 4 HG23 ILE 4 -3.190 -1.148 -6.039 36 HD11 ILE 4 HD1 ILE 4 -4.985 -2.527 -3.844 37 HD12 ILE 4 HD2 ILE 4 -4.737 -2.198 -2.093 38 HD13 ILE 4 HD3 ILE 4 -6.048 -1.352 -2.986 39 H LEU 5 HN LEU 5 -2.079 2.466 -3.004 40 HA LEU 5 HA LEU 5 -4.121 3.419 -1.338 41 HB2 LEU 5 HB1 LEU 5 -1.194 4.286 -1.545 42 HB3 LEU 5 HB2 LEU 5 -2.286 4.639 -0.164 43 HG LEU 5 HG LEU 5 -1.416 1.833 -1.100 44 HD11 LEU 5 HD11 LEU 5 0.453 3.125 -0.131 45 HD12 LEU 5 HD12 LEU 5 -0.051 1.796 0.973 46 HD13 LEU 5 HD13 LEU 5 -0.535 3.497 1.335 47 HD21 LEU 5 HD21 LEU 5 -3.068 2.700 1.358 48 HD22 LEU 5 HD22 LEU 5 -2.387 1.055 1.090 49 HD23 LEU 5 HD23 LEU 5 -3.645 1.690 -0.026 50 H ALA 6 HN ALA 6 -2.355 5.105 -3.949 51 HA ALA 6 HA ALA 6 -3.608 7.623 -3.621 52 HB1 ALA 6 HB1 ALA 6 -2.520 6.159 -6.118 53 HB2 ALA 6 HB2 ALA 6 -2.880 7.926 -6.032 54 HB3 ALA 6 HB3 ALA 6 -1.563 7.218 -5.028 55 H SER 7 HN SER 7 -4.529 4.709 -5.531 56 HA SER 7 HA SER 7 -6.867 5.748 -6.655 57 HB2 SER 7 HB1 SER 7 -6.407 2.806 -5.898 58 HB3 SER 7 HB2 SER 7 -7.482 3.436 -7.189 59 HG SER 7 HG1 SER 7 -5.688 3.911 -8.390 60 H LEU 8 HN LEU 8 -6.384 3.992 -3.562 61 HA LEU 8 HA LEU 8 -9.099 3.921 -2.833 62 HB2 LEU 8 HB1 LEU 8 -6.542 3.852 -1.160 63 HB3 LEU 8 HB2 LEU 8 -8.172 3.656 -0.447 64 HG LEU 8 HG LEU 8 -6.983 1.802 -2.587 65 HD11 LEU 8 HD11 LEU 8 -5.759 1.676 -0.411 66 HD12 LEU 8 HD12 LEU 8 -6.714 0.176 -0.717 67 HD13 LEU 8 HD13 LEU 8 -7.315 1.406 0.456 68 HD21 LEU 8 HD21 LEU 8 -9.530 1.544 -0.859 69 HD22 LEU 8 HD22 LEU 8 -8.860 0.269 -1.936 70 HD23 LEU 8 HD23 LEU 8 -9.485 1.797 -2.652 71 H ALA 9 HN ALA 9 -6.577 6.404 -2.160 72 HA ALA 9 HA ALA 9 -8.213 8.106 -0.683 73 HB1 ALA 9 HB1 ALA 9 -5.733 8.376 -0.957 74 HB2 ALA 9 HB2 ALA 9 -5.970 8.797 -2.686 75 HB3 ALA 9 HB3 ALA 9 -6.603 9.891 -1.396 76 H ALA 10 HN ALA 10 -7.779 7.923 -4.253 77 HA ALA 10 HA ALA 10 -9.732 9.831 -4.872 78 HB1 ALA 10 HB1 ALA 10 -9.673 8.685 -7.148 79 HB2 ALA 10 HB2 ALA 10 -8.018 8.970 -6.480 80 HB3 ALA 10 HB3 ALA 10 -8.752 7.334 -6.404 81 H LYS 11 HN LYS 11 -10.177 6.233 -4.573 82 HA LYS 11 HA LYS 11 -12.922 6.577 -5.429 83 HB2 LYS 11 HB1 LYS 11 -11.547 4.762 -6.268 84 HB3 LYS 11 HB2 LYS 11 -11.294 4.109 -4.635 85 HG2 LYS 11 HG1 LYS 11 -14.193 4.410 -5.490 86 HG3 LYS 11 HG2 LYS 11 -13.235 3.289 -6.477 87 HD2 LYS 11 HD1 LYS 11 -13.085 1.692 -4.917 88 HD3 LYS 11 HD2 LYS 11 -12.735 2.813 -3.583 89 HE2 LYS 11 HE1 LYS 11 -15.598 2.500 -4.719 90 HE3 LYS 11 HE2 LYS 11 -14.939 1.382 -3.458 91 HZ1 LYS 11 HZ1 LYS 11 -14.932 4.332 -3.153 92 HZ2 LYS 11 HZ2 LYS 11 -14.611 3.165 -1.986 93 HZ3 LYS 11 HZ3 LYS 11 -16.187 3.343 -2.589 94 H PHE 12 HN PHE 12 -11.407 6.089 -2.217 95 HA PHE 12 HA PHE 12 -14.144 5.818 -1.101 96 HB2 PHE 12 HB1 PHE 12 -11.358 5.169 -0.003 97 HB3 PHE 12 HB2 PHE 12 -12.733 5.494 1.111 98 HD1 PHE 12 HD1 PHE 12 -14.776 4.166 1.056 99 HD2 PHE 12 HD2 PHE 12 -11.330 3.083 -1.252 100 HE1 PHE 12 HE1 PHE 12 -15.681 1.874 0.800 101 HE2 PHE 12 HE2 PHE 12 -12.225 0.775 -1.505 102 HZ PHE 12 HZ PHE 12 -14.406 0.176 -0.482 103 H GLY 13 HN GLY 13 -11.662 8.141 -1.670 104 HA2 GLY 13 HA1 GLY 13 -13.431 10.045 -0.253 105 HA3 GLY 13 HA2 GLY 13 -11.766 10.319 -0.868 106 HA PRO 14 HA PRO 14 -14.421 10.570 -4.765 107 HB2 PRO 14 HB1 PRO 14 -17.175 11.057 -4.477 108 HB3 PRO 14 HB2 PRO 14 -16.480 9.407 -4.691 109 HG2 PRO 14 HG1 PRO 14 -17.218 10.776 -2.049 110 HG3 PRO 14 HG2 PRO 14 -17.664 9.113 -2.607 111 HD2 PRO 14 HD1 PRO 14 -15.512 9.518 -0.930 112 HD3 PRO 14 HD2 PRO 14 -15.410 8.302 -2.274 113 H LYS 15 HN LYS 15 -15.294 12.157 -1.751 114 HA LYS 15 HA LYS 15 -15.235 14.842 -2.658 115 HB2 LYS 15 HB1 LYS 15 -14.311 13.589 0.011 116 HB3 LYS 15 HB2 LYS 15 -14.440 15.354 -0.289 117 HG2 LYS 15 HG1 LYS 15 -16.883 15.156 -0.621 118 HG3 LYS 15 HG2 LYS 15 -16.802 13.390 -0.320 119 HD2 LYS 15 HD1 LYS 15 -15.892 13.789 1.975 120 HD3 LYS 15 HD2 LYS 15 -15.853 15.554 1.673 121 HE2 LYS 15 HE1 LYS 15 -18.355 15.607 1.513 122 HE3 LYS 15 HE2 LYS 15 -18.412 13.817 1.795 123 HZ1 LYS 15 HZ1 LYS 15 -17.301 15.843 3.691 124 HZ2 LYS 15 HZ2 LYS 15 -17.391 14.176 3.958 125 HZ3 LYS 15 HZ3 LYS 15 -18.806 15.088 3.818 126 H LEU 16 HN LEU 16 -12.552 12.627 -1.554 127 HA LEU 16 HA LEU 16 -10.537 14.569 -1.893 128 HB2 LEU 16 HB1 LEU 16 -10.318 11.530 -1.831 129 HB3 LEU 16 HB2 LEU 16 -8.932 12.651 -1.794 130 HG LEU 16 HG LEU 16 -11.106 12.522 0.369 131 HD11 LEU 16 HD11 LEU 16 -8.206 11.463 0.346 132 HD12 LEU 16 HD12 LEU 16 -9.691 10.450 0.269 133 HD13 LEU 16 HD13 LEU 16 -9.336 11.425 1.746 134 HD21 LEU 16 HD21 LEU 16 -9.465 13.905 1.697 135 HD22 LEU 16 HD22 LEU 16 -10.058 14.795 0.249 136 HD23 LEU 16 HD23 LEU 16 -8.417 14.043 0.246 137 H PHE 17 HN PHE 17 -11.682 11.980 -4.175 138 HA PHE 17 HA PHE 17 -9.698 12.549 -6.028 139 HB2 PHE 17 HB1 PHE 17 -11.362 10.575 -6.081 140 HB3 PHE 17 HB2 PHE 17 -12.552 11.680 -6.829 141 HD1 PHE 17 HD1 PHE 17 -8.773 11.366 -7.464 142 HD2 PHE 17 HD2 PHE 17 -12.756 10.688 -8.958 143 HE1 PHE 17 HE1 PHE 17 -7.844 10.650 -9.619 144 HE2 PHE 17 HE2 PHE 17 -11.803 9.961 -11.123 145 HZ PHE 17 HZ PHE 17 -9.349 9.933 -11.453 146 H ABA 18 HN AGL 18 -12.849 14.205 -5.625 147 HA ABA 18 HA AGL 18 -12.379 15.963 -7.853 148 HB3 ABA 18 HB2 AGL 18 -14.135 17.391 -6.566 149 HB2 ABA 18 HB1 AGL 18 -14.223 16.035 -5.406 150 HG3 ABA 18 HG AGL 18 -14.774 14.436 -7.392 151 H LEU 19 HN LEU 19 -11.856 16.376 -4.271 152 HA LEU 19 HA LEU 19 -10.821 18.951 -4.685 153 HB2 LEU 19 HB1 LEU 19 -11.055 17.066 -2.363 154 HB3 LEU 19 HB2 LEU 19 -9.821 18.350 -2.205 155 HG LEU 19 HG LEU 19 -11.891 19.050 -1.189 156 HD11 LEU 19 HD11 LEU 19 -12.015 21.286 -2.125 157 HD12 LEU 19 HD12 LEU 19 -11.428 20.732 -3.735 158 HD13 LEU 19 HD13 LEU 19 -10.324 20.709 -2.310 159 HD21 LEU 19 HD21 LEU 19 -13.234 18.929 -3.965 160 HD22 LEU 19 HD22 LEU 19 -13.958 19.557 -2.443 161 HD23 LEU 19 HD23 LEU 19 -13.557 17.807 -2.588 162 H VAL 20 HN VAL 20 -8.959 15.910 -4.231 163 HA VAL 20 HA VAL 20 -6.469 17.133 -3.946 164 HB VAL 20 HB VAL 20 -7.256 14.347 -4.887 165 HG11 VAL 20 HG11 VAL 20 -4.444 15.474 -4.235 166 HG12 VAL 20 HG12 VAL 20 -4.843 13.723 -4.348 167 HG13 VAL 20 HG13 VAL 20 -4.977 14.764 -5.804 168 HG21 VAL 20 HG21 VAL 20 -6.513 13.738 -2.564 169 HG22 VAL 20 HG22 VAL 20 -6.114 15.459 -2.226 170 HG23 VAL 20 HG23 VAL 20 -7.829 14.966 -2.492 171 H THR 21 HN THR 21 -8.208 16.149 -6.923 172 HA THR 21 HA THR 21 -5.914 17.283 -8.413 173 HB THR 21 HB THR 21 -6.210 16.114 -10.276 174 HG1 THR 21 HG1 THR 21 -8.351 16.413 -10.522 175 HG21 THR 21 HG21 THR 21 -6.311 13.736 -9.635 176 HG22 THR 21 HG22 THR 21 -7.153 14.137 -8.090 177 HG23 THR 21 HG23 THR 21 -5.448 14.664 -8.360 178 H LYS 22 HN LYS 22 -8.104 18.925 -7.137 179 HA LYS 22 HA LYS 22 -9.511 20.551 -7.571 180 HB2 LYS 22 HB1 LYS 22 -8.742 22.397 -8.957 181 HB3 LYS 22 HB2 LYS 22 -7.439 21.740 -7.934 182 HG2 LYS 22 HG1 LYS 22 -6.183 20.949 -9.692 183 HG3 LYS 22 HG2 LYS 22 -7.572 20.601 -10.738 184 HD2 LYS 22 HD1 LYS 22 -6.469 23.422 -10.153 185 HD3 LYS 22 HD2 LYS 22 -6.099 22.441 -11.596 186 HE2 LYS 22 HE1 LYS 22 -8.838 23.665 -10.846 187 HE3 LYS 22 HE2 LYS 22 -7.768 24.096 -12.236 188 HZ1 LYS 22 HZ1 LYS 22 -9.254 21.582 -11.767 189 HZ2 LYS 22 HZ2 LYS 22 -8.098 21.736 -12.994 190 HZ3 LYS 22 HZ3 LYS 22 -9.509 22.693 -13.011 191 H LYS 23 HN LYS 23 -11.027 18.659 -8.454 192 HA LYS 23 HA LYS 23 -12.266 19.734 -10.861 193 HB2 LYS 23 HB1 LYS 23 -12.478 17.646 -12.032 194 HB3 LYS 23 HB2 LYS 23 -10.761 17.952 -11.685 195 HG2 LYS 23 HG1 LYS 23 -10.814 16.331 -9.789 196 HG3 LYS 23 HG2 LYS 23 -12.552 16.004 -10.106 197 HD2 LYS 23 HD1 LYS 23 -11.989 15.302 -12.461 198 HD3 LYS 23 HD2 LYS 23 -10.255 15.531 -12.120 199 HE2 LYS 23 HE1 LYS 23 -12.130 13.479 -10.733 200 HE3 LYS 23 HE2 LYS 23 -10.922 13.127 -12.029 201 HZ1 LYS 23 HZ1 LYS 23 -9.260 14.178 -10.400 202 HZ2 LYS 23 HZ2 LYS 23 -9.858 12.627 -10.032 203 HZ3 LYS 23 HZ3 LYS 23 -10.411 14.002 -9.236 204 H ABA 24 HN AGL 24 -14.252 17.750 -11.135 205 HA ABA 24 HA AGL 24 -16.345 17.473 -10.569 206 HB3 ABA 24 HB2 AGL 24 -17.285 17.583 -8.263 207 HB2 ABA 24 HB1 AGL 24 -15.719 18.138 -7.645 208 HG3 ABA 24 HG AGL 24 -16.368 15.341 -8.904 Start of MODEL 18 1 H1 PHE 1 HN PHE 1 4.192 2.894 -6.118 2 HA PHE 1 HA PHE 1 6.299 2.863 -4.104 3 HB2 PHE 1 HB1 PHE 1 6.060 5.304 -3.695 4 HB3 PHE 1 HB2 PHE 1 6.536 4.966 -5.394 5 HD1 PHE 1 HD1 PHE 1 4.700 5.040 -7.220 6 HD2 PHE 1 HD2 PHE 1 4.109 6.565 -3.243 7 HE1 PHE 1 HE1 PHE 1 2.749 6.345 -8.005 8 HE2 PHE 1 HE2 PHE 1 2.163 7.872 -4.037 9 HZ PHE 1 HZ PHE 1 1.470 7.745 -6.413 10 H LEU 2 HN LEU 2 2.939 4.086 -4.463 11 HA LEU 2 HA LEU 2 2.183 2.402 -2.185 12 HB2 LEU 2 HB1 LEU 2 2.122 4.923 -1.678 13 HB3 LEU 2 HB2 LEU 2 1.013 5.122 -3.061 14 HG LEU 2 HG LEU 2 -0.626 3.555 -1.861 15 HD11 LEU 2 HD11 LEU 2 0.949 2.384 -0.298 16 HD12 LEU 2 HD12 LEU 2 -0.279 3.310 0.649 17 HD13 LEU 2 HD13 LEU 2 1.383 3.959 0.458 18 HD21 LEU 2 HD21 LEU 2 -1.416 5.297 -0.274 19 HD22 LEU 2 HD22 LEU 2 -0.845 6.056 -1.808 20 HD23 LEU 2 HD23 LEU 2 0.192 6.107 -0.336 21 HA PRO 3 HA PRO 3 -0.223 1.453 -5.904 22 HB2 PRO 3 HB1 PRO 3 -1.002 -1.075 -5.341 23 HB3 PRO 3 HB2 PRO 3 0.730 -0.636 -5.212 24 HG2 PRO 3 HG1 PRO 3 -1.258 -0.771 -2.865 25 HG3 PRO 3 HG2 PRO 3 0.351 -1.587 -3.023 26 HD2 PRO 3 HD1 PRO 3 -0.015 0.925 -1.799 27 HD3 PRO 3 HD2 PRO 3 1.515 0.415 -2.643 28 H ILE 4 HN ILE 4 -2.586 -0.449 -4.724 29 HA ILE 4 HA ILE 4 -4.674 1.093 -5.421 30 HB ILE 4 HB ILE 4 -6.144 -0.487 -4.265 31 HG12 ILE 4 HG11 ILE 4 -3.569 -1.793 -3.176 32 HG13 ILE 4 HG12 ILE 4 -4.715 -0.825 -2.191 33 HG21 ILE 4 HG21 ILE 4 -5.487 -2.413 -5.636 34 HG22 ILE 4 HG22 ILE 4 -5.125 -0.903 -6.533 35 HG23 ILE 4 HG23 ILE 4 -3.789 -1.833 -5.751 36 HD11 ILE 4 HD1 ILE 4 -5.205 -3.213 -1.877 37 HD12 ILE 4 HD2 ILE 4 -6.571 -2.435 -2.750 38 HD13 ILE 4 HD3 ILE 4 -5.396 -3.462 -3.649 39 H LEU 5 HN LEU 5 -3.141 1.363 -2.256 40 HA LEU 5 HA LEU 5 -5.369 2.367 -0.893 41 HB2 LEU 5 HB1 LEU 5 -2.417 2.988 -0.403 42 HB3 LEU 5 HB2 LEU 5 -3.759 3.204 0.765 43 HG LEU 5 HG LEU 5 -2.779 0.516 -0.390 44 HD11 LEU 5 HD11 LEU 5 -2.046 0.070 1.962 45 HD12 LEU 5 HD12 LEU 5 -2.518 1.743 2.423 46 HD13 LEU 5 HD13 LEU 5 -1.180 1.475 1.242 47 HD21 LEU 5 HD21 LEU 5 -5.202 0.331 0.061 48 HD22 LEU 5 HD22 LEU 5 -4.990 1.105 1.682 49 HD23 LEU 5 HD23 LEU 5 -4.287 -0.517 1.354 50 H ALA 6 HN ALA 6 -3.052 4.154 -2.975 51 HA ALA 6 HA ALA 6 -4.121 6.736 -2.456 52 HB1 ALA 6 HB1 ALA 6 -2.778 5.497 -4.956 53 HB2 ALA 6 HB2 ALA 6 -3.020 7.265 -4.689 54 HB3 ALA 6 HB3 ALA 6 -1.916 6.329 -3.621 55 H SER 7 HN SER 7 -4.875 4.221 -4.902 56 HA SER 7 HA SER 7 -6.919 5.571 -6.232 57 HB2 SER 7 HB1 SER 7 -6.742 2.525 -5.826 58 HB3 SER 7 HB2 SER 7 -7.533 3.385 -7.186 59 HG SER 7 HG1 SER 7 -5.499 3.944 -7.933 60 H LEU 8 HN LEU 8 -7.093 3.372 -3.398 61 HA LEU 8 HA LEU 8 -9.894 3.343 -3.209 62 HB2 LEU 8 HB1 LEU 8 -7.682 2.859 -1.156 63 HB3 LEU 8 HB2 LEU 8 -9.412 2.715 -0.727 64 HG LEU 8 HG LEU 8 -8.036 1.045 -2.898 65 HD11 LEU 8 HD11 LEU 8 -7.196 0.556 -0.585 66 HD12 LEU 8 HD12 LEU 8 -8.181 -0.812 -1.235 67 HD13 LEU 8 HD13 LEU 8 -8.889 0.317 -0.020 68 HD21 LEU 8 HD21 LEU 8 -10.499 1.289 -3.321 69 HD22 LEU 8 HD22 LEU 8 -10.832 0.814 -1.605 70 HD23 LEU 8 HD23 LEU 8 -10.103 -0.371 -2.746 71 H ALA 9 HN ALA 9 -7.509 5.561 -1.672 72 HA ALA 9 HA ALA 9 -9.364 7.005 -0.173 73 HB1 ALA 9 HB1 ALA 9 -7.616 8.823 -0.256 74 HB2 ALA 9 HB2 ALA 9 -6.874 7.210 0.041 75 HB3 ALA 9 HB3 ALA 9 -6.788 7.939 -1.598 76 H ALA 10 HN ALA 10 -8.251 7.502 -3.529 77 HA ALA 10 HA ALA 10 -10.017 9.557 -4.213 78 HB1 ALA 10 HB1 ALA 10 -9.419 8.639 -6.574 79 HB2 ALA 10 HB2 ALA 10 -7.999 8.962 -5.504 80 HB3 ALA 10 HB3 ALA 10 -8.591 7.284 -5.744 81 H LYS 11 HN LYS 11 -10.493 5.971 -4.710 82 HA LYS 11 HA LYS 11 -12.988 6.391 -5.970 83 HB2 LYS 11 HB1 LYS 11 -11.587 4.442 -6.400 84 HB3 LYS 11 HB2 LYS 11 -11.764 3.866 -4.723 85 HG2 LYS 11 HG1 LYS 11 -14.241 4.291 -6.476 86 HG3 LYS 11 HG2 LYS 11 -13.226 2.847 -6.757 87 HD2 LYS 11 HD1 LYS 11 -13.831 1.796 -4.775 88 HD3 LYS 11 HD2 LYS 11 -13.944 3.337 -3.889 89 HE2 LYS 11 HE1 LYS 11 -16.135 3.818 -5.250 90 HE3 LYS 11 HE2 LYS 11 -16.100 2.058 -5.677 91 HZ1 LYS 11 HZ1 LYS 11 -17.387 2.372 -3.704 92 HZ2 LYS 11 HZ2 LYS 11 -16.174 3.300 -2.970 93 HZ3 LYS 11 HZ3 LYS 11 -15.924 1.658 -3.212 94 H PHE 12 HN PHE 12 -12.284 5.534 -2.526 95 HA PHE 12 HA PHE 12 -15.164 5.276 -2.062 96 HB2 PHE 12 HB1 PHE 12 -12.645 4.659 -0.449 97 HB3 PHE 12 HB2 PHE 12 -14.163 4.996 0.446 98 HD1 PHE 12 HD1 PHE 12 -16.142 3.644 0.207 99 HD2 PHE 12 HD2 PHE 12 -12.474 2.582 -1.741 100 HE1 PHE 12 HE1 PHE 12 -16.975 1.329 -0.075 101 HE2 PHE 12 HE2 PHE 12 -13.307 0.259 -2.045 102 HZ PHE 12 HZ PHE 12 -15.557 -0.367 -1.204 103 H GLY 13 HN GLY 13 -12.675 7.698 -1.657 104 HA2 GLY 13 HA1 GLY 13 -14.728 9.429 -0.412 105 HA3 GLY 13 HA2 GLY 13 -12.961 9.698 -0.556 106 HA PRO 14 HA PRO 14 -14.590 11.032 -4.756 107 HB2 PRO 14 HB1 PRO 14 -17.258 11.936 -4.860 108 HB3 PRO 14 HB2 PRO 14 -16.744 10.275 -5.346 109 HG2 PRO 14 HG1 PRO 14 -17.866 11.142 -2.625 110 HG3 PRO 14 HG2 PRO 14 -18.380 9.743 -3.654 111 HD2 PRO 14 HD1 PRO 14 -16.618 9.395 -1.563 112 HD3 PRO 14 HD2 PRO 14 -16.361 8.507 -3.126 113 H LYS 15 HN LYS 15 -15.833 12.074 -1.670 114 HA LYS 15 HA LYS 15 -15.259 14.845 -1.818 115 HB2 LYS 15 HB1 LYS 15 -15.177 12.766 0.450 116 HB3 LYS 15 HB2 LYS 15 -14.842 14.487 0.765 117 HG2 LYS 15 HG1 LYS 15 -17.475 13.482 -0.470 118 HG3 LYS 15 HG2 LYS 15 -17.225 13.610 1.287 119 HD2 LYS 15 HD1 LYS 15 -17.030 15.933 -0.743 120 HD3 LYS 15 HD2 LYS 15 -18.450 15.579 0.270 121 HE2 LYS 15 HE1 LYS 15 -15.661 16.477 1.297 122 HE3 LYS 15 HE2 LYS 15 -17.148 17.490 1.182 123 HZ1 LYS 15 HZ1 LYS 15 -16.818 15.062 2.879 124 HZ2 LYS 15 HZ2 LYS 15 -18.219 16.007 2.768 125 HZ3 LYS 15 HZ3 LYS 15 -16.800 16.667 3.411 126 H LEU 16 HN LEU 16 -13.150 12.023 -0.928 127 HA LEU 16 HA LEU 16 -10.885 13.691 -0.450 128 HB2 LEU 16 HB1 LEU 16 -11.072 10.686 -0.947 129 HB3 LEU 16 HB2 LEU 16 -9.581 11.549 -0.470 130 HG LEU 16 HG LEU 16 -12.128 11.405 1.243 131 HD11 LEU 16 HD11 LEU 16 -9.435 9.919 1.484 132 HD12 LEU 16 HD12 LEU 16 -10.994 9.183 0.963 133 HD13 LEU 16 HD13 LEU 16 -10.808 9.817 2.644 134 HD21 LEU 16 HD21 LEU 16 -10.797 13.470 1.739 135 HD22 LEU 16 HD22 LEU 16 -9.295 12.479 1.858 136 HD23 LEU 16 HD23 LEU 16 -10.610 12.266 3.065 137 H PHE 17 HN PHE 17 -11.945 11.734 -3.284 138 HA PHE 17 HA PHE 17 -9.644 11.926 -4.706 139 HB2 PHE 17 HB1 PHE 17 -11.976 10.733 -5.169 140 HB3 PHE 17 HB2 PHE 17 -12.382 12.164 -6.138 141 HD1 PHE 17 HD1 PHE 17 -8.912 11.907 -6.827 142 HD2 PHE 17 HD2 PHE 17 -12.562 9.683 -7.387 143 HE1 PHE 17 HE1 PHE 17 -7.904 10.724 -8.708 144 HE2 PHE 17 HE2 PHE 17 -11.532 8.506 -9.309 145 HZ PHE 17 HZ PHE 17 -9.194 9.026 -9.968 146 H ABA 18 HN AGL 18 -12.385 14.288 -4.842 147 HA ABA 18 HA AGL 18 -11.007 15.862 -6.823 148 HB3 ABA 18 HB2 AGL 18 -12.870 17.521 -6.444 149 HB2 ABA 18 HB1 AGL 18 -13.478 16.498 -5.118 150 HG3 ABA 18 HG AGL 18 -13.921 14.587 -6.705 151 H LEU 19 HN LEU 19 -10.876 15.726 -3.340 152 HA LEU 19 HA LEU 19 -9.613 18.313 -3.118 153 HB2 LEU 19 HB1 LEU 19 -10.958 17.308 -1.252 154 HB3 LEU 19 HB2 LEU 19 -9.778 15.970 -1.144 155 HG LEU 19 HG LEU 19 -7.980 17.616 -0.524 156 HD11 LEU 19 HD11 LEU 19 -10.263 19.696 -0.550 157 HD12 LEU 19 HD12 LEU 19 -8.799 19.687 -1.610 158 HD13 LEU 19 HD13 LEU 19 -8.622 19.947 0.156 159 HD21 LEU 19 HD21 LEU 19 -10.508 17.771 1.233 160 HD22 LEU 19 HD22 LEU 19 -8.814 18.084 1.768 161 HD23 LEU 19 HD23 LEU 19 -9.293 16.432 1.231 162 H VAL 20 HN VAL 20 -8.504 14.888 -3.040 163 HA VAL 20 HA VAL 20 -5.763 15.462 -2.817 164 HB VAL 20 HB VAL 20 -7.279 12.984 -3.724 165 HG11 VAL 20 HG11 VAL 20 -4.998 12.861 -4.770 166 HG12 VAL 20 HG12 VAL 20 -4.241 13.361 -3.213 167 HG13 VAL 20 HG13 VAL 20 -5.064 11.767 -3.343 168 HG21 VAL 20 HG21 VAL 20 -5.724 13.728 -1.143 169 HG22 VAL 20 HG22 VAL 20 -7.516 13.719 -1.293 170 HG23 VAL 20 HG23 VAL 20 -6.588 12.178 -1.440 171 H THR 21 HN THR 21 -7.816 14.944 -5.757 172 HA THR 21 HA THR 21 -5.862 16.508 -7.132 173 HB THR 21 HB THR 21 -4.802 14.324 -7.378 174 HG1 THR 21 HG1 THR 21 -4.428 14.554 -9.487 175 HG21 THR 21 HG21 THR 21 -5.830 12.583 -8.825 176 HG22 THR 21 HG22 THR 21 -7.327 13.569 -9.018 177 HG23 THR 21 HG23 THR 21 -6.884 12.904 -7.401 178 H LYS 22 HN LYS 22 -6.483 17.301 -9.189 179 HA LYS 22 HA LYS 22 -9.255 18.020 -8.930 180 HB2 LYS 22 HB1 LYS 22 -8.722 19.680 -10.751 181 HB3 LYS 22 HB2 LYS 22 -7.677 19.802 -9.320 182 HG2 LYS 22 HG1 LYS 22 -5.780 19.019 -10.350 183 HG3 LYS 22 HG2 LYS 22 -6.621 18.025 -11.562 184 HD2 LYS 22 HD1 LYS 22 -6.917 21.071 -11.725 185 HD3 LYS 22 HD2 LYS 22 -5.364 20.316 -12.165 186 HE2 LYS 22 HE1 LYS 22 -6.660 20.603 -14.214 187 HE3 LYS 22 HE2 LYS 22 -6.447 18.846 -13.859 188 HZ1 LYS 22 HZ1 LYS 22 -8.688 19.335 -14.545 189 HZ2 LYS 22 HZ2 LYS 22 -8.894 20.461 -13.291 190 HZ3 LYS 22 HZ3 LYS 22 -8.676 18.823 -12.938 191 H LYS 23 HN LYS 23 -9.610 15.495 -9.654 192 HA LYS 23 HA LYS 23 -10.135 15.479 -12.552 193 HB2 LYS 23 HB1 LYS 23 -10.533 13.144 -12.406 194 HB3 LYS 23 HB2 LYS 23 -9.081 13.545 -11.478 195 HG2 LYS 23 HG1 LYS 23 -10.184 11.902 -10.242 196 HG3 LYS 23 HG2 LYS 23 -10.315 13.416 -9.321 197 HD2 LYS 23 HD1 LYS 23 -12.308 12.141 -9.055 198 HD3 LYS 23 HD2 LYS 23 -12.762 13.581 -9.967 199 HE2 LYS 23 HE1 LYS 23 -12.287 10.740 -11.172 200 HE3 LYS 23 HE2 LYS 23 -13.893 11.421 -10.698 201 HZ1 LYS 23 HZ1 LYS 23 -13.120 13.328 -12.292 202 HZ2 LYS 23 HZ2 LYS 23 -13.847 11.928 -12.912 203 HZ3 LYS 23 HZ3 LYS 23 -12.161 12.129 -12.958 204 H ABA 24 HN AGL 24 -11.589 16.855 -10.029 205 HA ABA 24 HA AGL 24 -14.345 16.461 -11.003 206 HB3 ABA 24 HB2 AGL 24 -14.980 17.810 -8.957 207 HB2 ABA 24 HB1 AGL 24 -13.251 17.904 -8.507 208 HG3 ABA 24 HG AGL 24 -14.722 15.172 -8.861 Start of MODEL 19 1 H1 PHE 1 HN PHE 1 3.312 2.143 -7.591 2 HA PHE 1 HA PHE 1 5.498 2.813 -5.802 3 HB2 PHE 1 HB1 PHE 1 4.515 4.288 -7.806 4 HB3 PHE 1 HB2 PHE 1 3.284 4.818 -6.614 5 HD1 PHE 1 HD1 PHE 1 4.596 5.357 -4.126 6 HD2 PHE 1 HD2 PHE 1 6.218 5.755 -8.092 7 HE1 PHE 1 HE1 PHE 1 6.204 7.015 -3.299 8 HE2 PHE 1 HE2 PHE 1 7.832 7.430 -7.256 9 HZ PHE 1 HZ PHE 1 7.832 8.064 -4.854 10 H LEU 2 HN LEU 2 1.912 3.200 -5.761 11 HA LEU 2 HA LEU 2 1.983 2.486 -2.900 12 HB2 LEU 2 HB1 LEU 2 -0.162 4.079 -4.473 13 HB3 LEU 2 HB2 LEU 2 -0.399 3.415 -2.835 14 HG LEU 2 HG LEU 2 -0.051 5.665 -2.489 15 HD11 LEU 2 HD11 LEU 2 2.744 4.463 -2.007 16 HD12 LEU 2 HD12 LEU 2 1.302 4.224 -0.945 17 HD13 LEU 2 HD13 LEU 2 2.004 5.869 -1.165 18 HD21 LEU 2 HD21 LEU 2 2.414 5.674 -4.324 19 HD22 LEU 2 HD22 LEU 2 1.752 7.073 -3.403 20 HD23 LEU 2 HD23 LEU 2 0.779 6.323 -4.724 21 HA PRO 3 HA PRO 3 -0.681 -0.665 -4.787 22 HB2 PRO 3 HB1 PRO 3 -1.783 -1.875 -2.567 23 HB3 PRO 3 HB2 PRO 3 -0.011 -1.944 -2.864 24 HG2 PRO 3 HG1 PRO 3 -1.478 0.069 -1.063 25 HG3 PRO 3 HG2 PRO 3 -0.102 -1.025 -0.616 26 HD2 PRO 3 HD1 PRO 3 0.257 1.611 -1.470 27 HD3 PRO 3 HD2 PRO 3 1.459 0.300 -1.865 28 H ILE 4 HN ILE 4 -3.246 -1.279 -3.771 29 HA ILE 4 HA ILE 4 -4.830 0.481 -5.012 30 HB ILE 4 HB ILE 4 -6.750 -0.605 -3.909 31 HG12 ILE 4 HG11 ILE 4 -4.625 -2.112 -2.250 32 HG13 ILE 4 HG12 ILE 4 -5.741 -0.863 -1.608 33 HG21 ILE 4 HG21 ILE 4 -5.528 -1.532 -5.915 34 HG22 ILE 4 HG22 ILE 4 -4.516 -2.544 -4.815 35 HG23 ILE 4 HG23 ILE 4 -6.292 -2.802 -4.906 36 HD11 ILE 4 HD1 ILE 4 -7.718 -2.289 -2.292 37 HD12 ILE 4 HD2 ILE 4 -6.579 -3.580 -2.822 38 HD13 ILE 4 HD3 ILE 4 -6.643 -3.093 -1.094 39 H LEU 5 HN LEU 5 -3.757 1.033 -1.737 40 HA LEU 5 HA LEU 5 -5.880 2.362 -0.653 41 HB2 LEU 5 HB1 LEU 5 -2.909 2.976 -0.232 42 HB3 LEU 5 HB2 LEU 5 -4.238 3.331 0.916 43 HG LEU 5 HG LEU 5 -3.303 0.521 0.049 44 HD11 LEU 5 HD11 LEU 5 -1.656 1.721 1.490 45 HD12 LEU 5 HD12 LEU 5 -2.432 0.347 2.365 46 HD13 LEU 5 HD13 LEU 5 -2.951 2.035 2.705 47 HD21 LEU 5 HD21 LEU 5 -5.436 1.364 2.111 48 HD22 LEU 5 HD22 LEU 5 -4.756 -0.292 1.938 49 HD23 LEU 5 HD23 LEU 5 -5.709 0.421 0.592 50 H ALA 6 HN ALA 6 -3.399 3.880 -2.786 51 HA ALA 6 HA ALA 6 -4.369 6.529 -2.513 52 HB1 ALA 6 HB1 ALA 6 -2.146 5.931 -3.521 53 HB2 ALA 6 HB2 ALA 6 -2.983 5.086 -4.872 54 HB3 ALA 6 HB3 ALA 6 -3.132 6.876 -4.693 55 H SER 7 HN SER 7 -5.225 3.919 -4.848 56 HA SER 7 HA SER 7 -7.213 5.376 -6.208 57 HB2 SER 7 HB1 SER 7 -6.974 2.332 -5.857 58 HB3 SER 7 HB2 SER 7 -7.970 3.192 -7.089 59 HG SER 7 HG1 SER 7 -5.912 2.503 -7.888 60 H LEU 8 HN LEU 8 -7.361 3.310 -3.282 61 HA LEU 8 HA LEU 8 -10.183 3.355 -3.082 62 HB2 LEU 8 HB1 LEU 8 -8.044 3.021 -0.921 63 HB3 LEU 8 HB2 LEU 8 -9.797 2.894 -0.595 64 HG LEU 8 HG LEU 8 -8.240 1.058 -2.493 65 HD11 LEU 8 HD11 LEU 8 -7.676 0.781 -0.052 66 HD12 LEU 8 HD12 LEU 8 -8.572 -0.648 -0.702 67 HD13 LEU 8 HD13 LEU 8 -9.424 0.567 0.319 68 HD21 LEU 8 HD21 LEU 8 -11.169 0.954 -1.508 69 HD22 LEU 8 HD22 LEU 8 -10.334 -0.345 -2.429 70 HD23 LEU 8 HD23 LEU 8 -10.633 1.249 -3.211 71 H ALA 9 HN ALA 9 -7.722 5.616 -1.750 72 HA ALA 9 HA ALA 9 -9.538 7.317 -0.482 73 HB1 ALA 9 HB1 ALA 9 -6.894 7.972 -1.934 74 HB2 ALA 9 HB2 ALA 9 -7.719 9.039 -0.736 75 HB3 ALA 9 HB3 ALA 9 -7.045 7.449 -0.222 76 H ALA 10 HN ALA 10 -8.348 7.343 -3.869 77 HA ALA 10 HA ALA 10 -9.948 9.427 -4.785 78 HB1 ALA 10 HB1 ALA 10 -8.857 6.885 -6.159 79 HB2 ALA 10 HB2 ALA 10 -9.485 8.318 -7.035 80 HB3 ALA 10 HB3 ALA 10 -8.006 8.463 -6.006 81 H LYS 11 HN LYS 11 -10.782 5.878 -4.825 82 HA LYS 11 HA LYS 11 -13.302 6.425 -6.066 83 HB2 LYS 11 HB1 LYS 11 -12.371 4.268 -6.475 84 HB3 LYS 11 HB2 LYS 11 -12.002 4.021 -4.749 85 HG2 LYS 11 HG1 LYS 11 -13.784 2.507 -5.398 86 HG3 LYS 11 HG2 LYS 11 -14.359 3.683 -4.190 87 HD2 LYS 11 HD1 LYS 11 -15.044 4.913 -6.650 88 HD3 LYS 11 HD2 LYS 11 -15.283 3.184 -7.003 89 HE2 LYS 11 HE1 LYS 11 -16.629 4.916 -4.802 90 HE3 LYS 11 HE2 LYS 11 -17.414 4.133 -6.223 91 HZ1 LYS 11 HZ1 LYS 11 -16.166 2.771 -3.883 92 HZ2 LYS 11 HZ2 LYS 11 -16.827 1.977 -5.228 93 HZ3 LYS 11 HZ3 LYS 11 -17.817 2.912 -4.210 94 H PHE 12 HN PHE 12 -12.498 5.709 -2.589 95 HA PHE 12 HA PHE 12 -15.399 5.839 -2.069 96 HB2 PHE 12 HB1 PHE 12 -12.995 4.696 -0.544 97 HB3 PHE 12 HB2 PHE 12 -14.553 5.019 0.296 98 HD1 PHE 12 HD1 PHE 12 -16.659 4.009 -0.494 99 HD2 PHE 12 HD2 PHE 12 -12.829 2.726 -1.929 100 HE1 PHE 12 HE1 PHE 12 -17.653 1.847 -1.179 101 HE2 PHE 12 HE2 PHE 12 -13.818 0.562 -2.640 102 HZ PHE 12 HZ PHE 12 -16.230 0.116 -2.254 103 H GLY 13 HN GLY 13 -12.671 7.858 -1.878 104 HA2 GLY 13 HA1 GLY 13 -14.349 9.748 -0.341 105 HA3 GLY 13 HA2 GLY 13 -12.606 9.884 -0.752 106 HA PRO 14 HA PRO 14 -14.807 11.325 -4.647 107 HB2 PRO 14 HB1 PRO 14 -17.415 12.317 -4.320 108 HB3 PRO 14 HB2 PRO 14 -17.051 10.649 -4.903 109 HG2 PRO 14 HG1 PRO 14 -17.698 11.504 -2.028 110 HG3 PRO 14 HG2 PRO 14 -18.427 10.146 -2.982 111 HD2 PRO 14 HD1 PRO 14 -16.373 9.690 -1.199 112 HD3 PRO 14 HD2 PRO 14 -16.406 8.821 -2.794 113 H LYS 15 HN LYS 15 -15.516 12.328 -1.352 114 HA LYS 15 HA LYS 15 -14.819 15.071 -1.610 115 HB2 LYS 15 HB1 LYS 15 -14.272 13.117 0.723 116 HB3 LYS 15 HB2 LYS 15 -14.150 14.899 0.811 117 HG2 LYS 15 HG1 LYS 15 -16.607 15.096 0.404 118 HG3 LYS 15 HG2 LYS 15 -16.745 13.305 0.366 119 HD2 LYS 15 HD1 LYS 15 -15.762 13.190 2.682 120 HD3 LYS 15 HD2 LYS 15 -15.634 14.977 2.710 121 HE2 LYS 15 HE1 LYS 15 -18.151 15.166 2.573 122 HE3 LYS 15 HE2 LYS 15 -18.276 13.361 2.562 123 HZ1 LYS 15 HZ1 LYS 15 -17.083 15.024 4.739 124 HZ2 LYS 15 HZ2 LYS 15 -17.190 13.337 4.732 125 HZ3 LYS 15 HZ3 LYS 15 -18.597 14.273 4.772 126 H LEU 16 HN LEU 16 -12.794 12.127 -0.961 127 HA LEU 16 HA LEU 16 -10.414 13.657 -0.751 128 HB2 LEU 16 HB1 LEU 16 -10.743 10.662 -1.109 129 HB3 LEU 16 HB2 LEU 16 -9.200 11.493 -0.763 130 HG LEU 16 HG LEU 16 -11.640 11.532 1.105 131 HD11 LEU 16 HD11 LEU 16 -9.022 9.908 1.246 132 HD12 LEU 16 HD12 LEU 16 -10.650 9.244 0.852 133 HD13 LEU 16 HD13 LEU 16 -10.322 9.929 2.490 134 HD21 LEU 16 HD21 LEU 16 -9.971 12.382 2.796 135 HD22 LEU 16 HD22 LEU 16 -10.178 13.539 1.432 136 HD23 LEU 16 HD23 LEU 16 -8.724 12.476 1.505 137 H PHE 17 HN PHE 17 -11.759 11.748 -3.541 138 HA PHE 17 HA PHE 17 -9.487 12.121 -5.060 139 HB2 PHE 17 HB1 PHE 17 -11.744 10.740 -5.507 140 HB3 PHE 17 HB2 PHE 17 -12.218 12.149 -6.483 141 HD1 PHE 17 HD1 PHE 17 -8.579 11.750 -6.815 142 HD2 PHE 17 HD2 PHE 17 -12.340 10.023 -8.020 143 HE1 PHE 17 HE1 PHE 17 -7.443 10.520 -8.557 144 HE2 PHE 17 HE2 PHE 17 -11.183 8.797 -9.824 145 HZ PHE 17 HZ PHE 17 -8.714 8.977 -10.058 146 H ABA 18 HN AGL 18 -12.277 14.282 -4.687 147 HA ABA 18 HA AGL 18 -11.436 16.274 -6.497 148 HB3 ABA 18 HB2 AGL 18 -13.172 16.234 -3.971 149 HB2 ABA 18 HB1 AGL 18 -13.760 16.006 -5.623 150 HG3 ABA 18 HG AGL 18 -13.884 18.409 -4.178 151 H LEU 19 HN LEU 19 -10.734 15.752 -2.991 152 HA LEU 19 HA LEU 19 -9.168 18.092 -2.774 153 HB2 LEU 19 HB1 LEU 19 -10.264 16.912 -0.861 154 HB3 LEU 19 HB2 LEU 19 -9.130 15.543 -1.077 155 HG LEU 19 HG LEU 19 -7.203 17.054 -0.538 156 HD11 LEU 19 HD11 LEU 19 -9.370 19.197 -0.038 157 HD12 LEU 19 HD12 LEU 19 -8.057 19.255 -1.279 158 HD13 LEU 19 HD13 LEU 19 -7.642 19.319 0.466 159 HD21 LEU 19 HD21 LEU 19 -9.456 17.097 1.564 160 HD22 LEU 19 HD22 LEU 19 -7.693 17.301 1.884 161 HD23 LEU 19 HD23 LEU 19 -8.315 15.730 1.254 162 H VAL 20 HN VAL 20 -8.119 14.678 -3.353 163 HA VAL 20 HA VAL 20 -5.356 15.599 -3.344 164 HB VAL 20 HB VAL 20 -4.621 13.396 -3.150 165 HG11 VAL 20 HG11 VAL 20 -5.596 14.502 -1.110 166 HG12 VAL 20 HG12 VAL 20 -7.174 13.689 -1.433 167 HG13 VAL 20 HG13 VAL 20 -5.716 12.704 -1.055 168 HG21 VAL 20 HG21 VAL 20 -7.490 12.468 -3.844 169 HG22 VAL 20 HG22 VAL 20 -5.982 12.170 -4.785 170 HG23 VAL 20 HG23 VAL 20 -6.196 11.410 -3.175 171 H THR 21 HN THR 21 -7.628 15.460 -5.771 172 HA THR 21 HA THR 21 -5.517 15.536 -7.725 173 HB THR 21 HB THR 21 -7.758 13.476 -8.084 174 HG1 THR 21 HG1 THR 21 -5.417 13.247 -6.904 175 HG21 THR 21 HG21 THR 21 -7.021 14.412 -10.310 176 HG22 THR 21 HG22 THR 21 -6.332 12.763 -10.089 177 HG23 THR 21 HG23 THR 21 -5.287 14.197 -9.824 178 H LYS 22 HN LYS 22 -6.303 16.675 -9.739 179 HA LYS 22 HA LYS 22 -8.732 18.143 -9.264 180 HB2 LYS 22 HB1 LYS 22 -8.413 19.139 -11.469 181 HB3 LYS 22 HB2 LYS 22 -7.003 19.323 -10.400 182 HG2 LYS 22 HG1 LYS 22 -5.627 17.895 -11.642 183 HG3 LYS 22 HG2 LYS 22 -6.982 16.995 -12.384 184 HD2 LYS 22 HD1 LYS 22 -6.342 19.934 -13.037 185 HD3 LYS 22 HD2 LYS 22 -5.690 18.530 -13.945 186 HE2 LYS 22 HE1 LYS 22 -8.030 17.786 -14.526 187 HE3 LYS 22 HE2 LYS 22 -8.702 19.223 -13.667 188 HZ1 LYS 22 HZ1 LYS 22 -8.528 19.590 -16.031 189 HZ2 LYS 22 HZ2 LYS 22 -6.862 19.294 -16.018 190 HZ3 LYS 22 HZ3 LYS 22 -7.491 20.642 -15.208 191 H LYS 23 HN LYS 23 -9.933 16.000 -8.949 192 HA LYS 23 HA LYS 23 -11.442 15.452 -11.450 193 HB2 LYS 23 HB1 LYS 23 -11.251 13.758 -8.891 194 HB3 LYS 23 HB2 LYS 23 -12.191 13.334 -10.354 195 HG2 LYS 23 HG1 LYS 23 -9.128 13.601 -10.165 196 HG3 LYS 23 HG2 LYS 23 -10.064 12.073 -10.098 197 HD2 LYS 23 HD1 LYS 23 -10.842 12.369 -12.430 198 HD3 LYS 23 HD2 LYS 23 -10.126 14.002 -12.512 199 HE2 LYS 23 HE1 LYS 23 -8.704 12.351 -13.734 200 HE3 LYS 23 HE2 LYS 23 -7.828 13.115 -12.347 201 HZ1 LYS 23 HZ1 LYS 23 -8.435 11.167 -11.020 202 HZ2 LYS 23 HZ2 LYS 23 -7.457 10.763 -12.350 203 HZ3 LYS 23 HZ3 LYS 23 -9.125 10.437 -12.378 204 H ABA 24 HN AGL 24 -11.421 17.618 -9.273 205 HA ABA 24 HA AGL 24 -13.886 17.187 -7.858 206 HB3 ABA 24 HB2 AGL 24 -12.189 19.748 -7.822 207 HB2 ABA 24 HB1 AGL 24 -11.484 18.276 -7.171 208 HG3 ABA 24 HG AGL 24 -13.510 20.007 -5.861 Start of MODEL 20 1 H1 PHE 1 HN PHE 1 1.141 -1.354 2.404 2 HA PHE 1 HA PHE 1 2.110 -0.312 -0.139 3 HB2 PHE 1 HB1 PHE 1 3.707 -1.458 1.631 4 HB3 PHE 1 HB2 PHE 1 2.981 -3.014 1.099 5 HD1 PHE 1 HD1 PHE 1 3.080 -3.541 -1.463 6 HD2 PHE 1 HD2 PHE 1 5.362 -0.411 0.384 7 HE1 PHE 1 HE1 PHE 1 4.517 -3.407 -3.473 8 HE2 PHE 1 HE2 PHE 1 6.831 -0.302 -1.608 9 HZ PHE 1 HZ PHE 1 6.400 -1.796 -3.550 10 H LEU 2 HN LEU 2 0.022 -0.537 -1.322 11 HA LEU 2 HA LEU 2 -0.080 -3.196 -2.435 12 HB2 LEU 2 HB1 LEU 2 -1.697 -2.710 -0.289 13 HB3 LEU 2 HB2 LEU 2 -2.753 -2.014 -1.530 14 HG LEU 2 HG LEU 2 -2.809 -4.218 -2.711 15 HD11 LEU 2 HD11 LEU 2 -1.091 -5.201 -0.339 16 HD12 LEU 2 HD12 LEU 2 -0.586 -5.196 -2.067 17 HD13 LEU 2 HD13 LEU 2 -1.928 -6.272 -1.528 18 HD21 LEU 2 HD21 LEU 2 -3.411 -4.423 0.316 19 HD22 LEU 2 HD22 LEU 2 -4.189 -5.384 -0.996 20 HD23 LEU 2 HD23 LEU 2 -4.468 -3.606 -0.883 21 HA PRO 3 HA PRO 3 -0.851 -0.496 -5.902 22 HB2 PRO 3 HB1 PRO 3 -1.842 -2.326 -7.835 23 HB3 PRO 3 HB2 PRO 3 -0.107 -2.205 -7.362 24 HG2 PRO 3 HG1 PRO 3 -2.204 -4.161 -6.264 25 HG3 PRO 3 HG2 PRO 3 -0.544 -4.533 -6.876 26 HD2 PRO 3 HD1 PRO 3 -1.020 -4.248 -4.192 27 HD3 PRO 3 HD2 PRO 3 0.483 -3.526 -4.921 28 H ILE 4 HN ILE 4 -3.521 -2.756 -5.088 29 HA ILE 4 HA ILE 4 -5.594 -1.278 -6.116 30 HB ILE 4 HB ILE 4 -7.162 -2.448 -4.822 31 HG12 ILE 4 HG11 ILE 4 -4.823 -3.685 -3.269 32 HG13 ILE 4 HG12 ILE 4 -5.912 -2.410 -2.622 33 HG21 ILE 4 HG21 ILE 4 -4.893 -4.330 -5.763 34 HG22 ILE 4 HG22 ILE 4 -6.641 -4.712 -5.623 35 HG23 ILE 4 HG23 ILE 4 -6.098 -3.515 -6.836 36 HD11 ILE 4 HD1 ILE 4 -6.681 -4.585 -1.792 37 HD12 ILE 4 HD2 ILE 4 -7.896 -3.958 -2.959 38 HD13 ILE 4 HD3 ILE 4 -6.760 -5.266 -3.452 39 H LEU 5 HN LEU 5 -3.683 -0.206 -3.478 40 HA LEU 5 HA LEU 5 -5.481 1.248 -1.946 41 HB2 LEU 5 HB1 LEU 5 -2.623 1.867 -2.875 42 HB3 LEU 5 HB2 LEU 5 -3.488 2.904 -1.698 43 HG LEU 5 HG LEU 5 -2.703 -0.019 -1.278 44 HD11 LEU 5 HD11 LEU 5 -1.719 2.631 -0.053 45 HD12 LEU 5 HD12 LEU 5 -0.829 1.613 -1.241 46 HD13 LEU 5 HD13 LEU 5 -1.156 0.985 0.421 47 HD21 LEU 5 HD21 LEU 5 -4.793 0.315 -0.061 48 HD22 LEU 5 HD22 LEU 5 -4.245 1.926 0.550 49 HD23 LEU 5 HD23 LEU 5 -3.447 0.416 1.122 50 H ALA 6 HN ALA 6 -4.236 2.038 -5.181 51 HA ALA 6 HA ALA 6 -5.098 4.703 -5.305 52 HB1 ALA 6 HB1 ALA 6 -5.052 4.284 -7.802 53 HB2 ALA 6 HB2 ALA 6 -3.603 3.572 -7.000 54 HB3 ALA 6 HB3 ALA 6 -4.967 2.510 -7.488 55 H SER 7 HN SER 7 -6.896 1.617 -5.840 56 HA SER 7 HA SER 7 -9.334 2.834 -6.574 57 HB2 SER 7 HB1 SER 7 -9.006 0.120 -5.178 58 HB3 SER 7 HB2 SER 7 -10.412 0.682 -6.133 59 HG SER 7 HG1 SER 7 -9.091 0.637 -7.976 60 H LEU 8 HN LEU 8 -7.915 2.048 -3.347 61 HA LEU 8 HA LEU 8 -10.356 2.507 -1.986 62 HB2 LEU 8 HB1 LEU 8 -7.536 2.851 -0.868 63 HB3 LEU 8 HB2 LEU 8 -9.053 2.759 0.076 64 HG LEU 8 HG LEU 8 -7.792 0.512 -1.590 65 HD11 LEU 8 HD11 LEU 8 -8.290 0.761 1.447 66 HD12 LEU 8 HD12 LEU 8 -6.719 1.096 0.644 67 HD13 LEU 8 HD13 LEU 8 -7.422 -0.567 0.600 68 HD21 LEU 8 HD21 LEU 8 -10.266 0.254 -1.736 69 HD22 LEU 8 HD22 LEU 8 -10.407 0.475 0.057 70 HD23 LEU 8 HD23 LEU 8 -9.574 -0.971 -0.614 71 H ALA 9 HN ALA 9 -7.655 4.758 -2.752 72 HA ALA 9 HA ALA 9 -9.086 6.970 -1.635 73 HB1 ALA 9 HB1 ALA 9 -6.612 6.889 -1.750 74 HB2 ALA 9 HB2 ALA 9 -6.690 6.872 -3.550 75 HB3 ALA 9 HB3 ALA 9 -7.251 8.325 -2.627 76 H ALA 10 HN ALA 10 -9.194 5.460 -4.853 77 HA ALA 10 HA ALA 10 -10.533 7.748 -5.993 78 HB1 ALA 10 HB1 ALA 10 -10.184 4.857 -6.985 79 HB2 ALA 10 HB2 ALA 10 -10.754 6.253 -7.985 80 HB3 ALA 10 HB3 ALA 10 -9.080 6.229 -7.324 81 H LYS 11 HN LYS 11 -11.623 4.692 -4.485 82 HA LYS 11 HA LYS 11 -14.387 5.223 -5.280 83 HB2 LYS 11 HB1 LYS 11 -13.219 2.998 -5.511 84 HB3 LYS 11 HB2 LYS 11 -13.078 2.895 -3.743 85 HG2 LYS 11 HG1 LYS 11 -15.742 2.896 -5.338 86 HG3 LYS 11 HG2 LYS 11 -14.829 1.457 -4.795 87 HD2 LYS 11 HD1 LYS 11 -14.987 2.608 -2.399 88 HD3 LYS 11 HD2 LYS 11 -16.399 3.445 -3.123 89 HE2 LYS 11 HE1 LYS 11 -17.479 1.199 -3.581 90 HE3 LYS 11 HE2 LYS 11 -16.031 0.375 -2.868 91 HZ1 LYS 11 HZ1 LYS 11 -17.772 0.649 -1.221 92 HZ2 LYS 11 HZ2 LYS 11 -17.794 2.331 -1.476 93 HZ3 LYS 11 HZ3 LYS 11 -16.423 1.600 -0.826 94 H PHE 12 HN PHE 12 -12.351 5.269 -2.298 95 HA PHE 12 HA PHE 12 -14.736 6.161 -0.804 96 HB2 PHE 12 HB1 PHE 12 -12.087 4.997 0.244 97 HB3 PHE 12 HB2 PHE 12 -13.438 5.592 1.253 98 HD1 PHE 12 HD1 PHE 12 -15.420 4.277 1.605 99 HD2 PHE 12 HD2 PHE 12 -12.287 2.857 -0.950 100 HE1 PHE 12 HE1 PHE 12 -16.258 1.967 1.874 101 HE2 PHE 12 HE2 PHE 12 -13.133 0.541 -0.711 102 HZ PHE 12 HZ PHE 12 -15.099 0.084 0.732 103 H GLY 13 HN GLY 13 -12.446 7.590 -2.622 104 HA2 GLY 13 HA1 GLY 13 -12.440 9.938 -0.823 105 HA3 GLY 13 HA2 GLY 13 -10.927 9.324 -1.560 106 HA PRO 14 HA PRO 14 -12.945 10.741 -5.472 107 HB2 PRO 14 HB1 PRO 14 -15.545 11.733 -5.660 108 HB3 PRO 14 HB2 PRO 14 -15.200 9.963 -5.625 109 HG2 PRO 14 HG1 PRO 14 -15.901 11.752 -3.222 110 HG3 PRO 14 HG2 PRO 14 -16.731 10.222 -3.738 111 HD2 PRO 14 HD1 PRO 14 -14.751 10.154 -1.816 112 HD3 PRO 14 HD2 PRO 14 -14.812 8.877 -3.110 113 H LYS 15 HN LYS 15 -13.567 12.623 -2.597 114 HA LYS 15 HA LYS 15 -13.610 15.197 -3.793 115 HB2 LYS 15 HB1 LYS 15 -12.456 14.398 -1.037 116 HB3 LYS 15 HB2 LYS 15 -12.697 16.066 -1.619 117 HG2 LYS 15 HG1 LYS 15 -14.480 15.885 -0.299 118 HG3 LYS 15 HG2 LYS 15 -15.227 15.452 -1.865 119 HD2 LYS 15 HD1 LYS 15 -15.204 13.067 -1.293 120 HD3 LYS 15 HD2 LYS 15 -14.157 13.333 0.129 121 HE2 LYS 15 HE1 LYS 15 -17.041 14.434 -0.144 122 HE3 LYS 15 HE2 LYS 15 -16.606 12.893 0.701 123 HZ1 LYS 15 HZ1 LYS 15 -16.800 14.754 2.231 124 HZ2 LYS 15 HZ2 LYS 15 -15.587 15.606 1.414 125 HZ3 LYS 15 HZ3 LYS 15 -15.218 14.159 2.207 126 H LEU 16 HN LEU 16 -10.835 13.191 -2.563 127 HA LEU 16 HA LEU 16 -8.930 15.206 -3.087 128 HB2 LEU 16 HB1 LEU 16 -8.566 12.173 -2.890 129 HB3 LEU 16 HB2 LEU 16 -7.236 13.375 -2.910 130 HG LEU 16 HG LEU 16 -9.422 13.233 -0.754 131 HD11 LEU 16 HD11 LEU 16 -7.934 11.220 -0.769 132 HD12 LEU 16 HD12 LEU 16 -7.644 12.252 0.683 133 HD13 LEU 16 HD13 LEU 16 -6.487 12.291 -0.697 134 HD21 LEU 16 HD21 LEU 16 -8.464 15.544 -0.950 135 HD22 LEU 16 HD22 LEU 16 -6.796 14.860 -0.880 136 HD23 LEU 16 HD23 LEU 16 -7.881 14.732 0.546 137 H PHE 17 HN PHE 17 -10.153 12.498 -5.012 138 HA PHE 17 HA PHE 17 -8.471 12.869 -7.193 139 HB2 PHE 17 HB1 PHE 17 -10.051 10.933 -6.460 140 HB3 PHE 17 HB2 PHE 17 -11.368 11.815 -7.292 141 HD1 PHE 17 HD1 PHE 17 -8.400 12.356 -9.295 142 HD2 PHE 17 HD2 PHE 17 -11.201 9.287 -8.120 143 HE1 PHE 17 HE1 PHE 17 -7.798 11.052 -11.256 144 HE2 PHE 17 HE2 PHE 17 -10.578 7.979 -10.124 145 HZ PHE 17 HZ PHE 17 -8.873 8.859 -11.697 146 H ABA 18 HN AGL 18 -11.730 14.381 -6.581 147 HA ABA 18 HA AGL 18 -11.601 15.826 -9.062 148 HB3 ABA 18 HB2 AGL 18 -13.613 17.078 -8.122 149 HB2 ABA 18 HB1 AGL 18 -13.478 16.047 -6.663 150 HG3 ABA 18 HG AGL 18 -13.611 13.963 -8.297 151 H LEU 19 HN LEU 19 -10.381 16.633 -5.810 152 HA LEU 19 HA LEU 19 -9.938 19.401 -6.604 153 HB2 LEU 19 HB1 LEU 19 -9.247 17.716 -4.175 154 HB3 LEU 19 HB2 LEU 19 -8.384 19.259 -4.462 155 HG LEU 19 HG LEU 19 -10.444 20.545 -4.455 156 HD11 LEU 19 HD11 LEU 19 -12.155 18.886 -5.217 157 HD12 LEU 19 HD12 LEU 19 -12.606 19.635 -3.642 158 HD13 LEU 19 HD13 LEU 19 -11.935 17.969 -3.675 159 HD21 LEU 19 HD21 LEU 19 -9.148 20.215 -2.372 160 HD22 LEU 19 HD22 LEU 19 -10.041 18.689 -2.022 161 HD23 LEU 19 HD23 LEU 19 -10.907 20.270 -1.979 162 H VAL 20 HN VAL 20 -7.810 16.454 -6.241 163 HA VAL 20 HA VAL 20 -5.423 17.796 -6.767 164 HB VAL 20 HB VAL 20 -6.256 14.887 -7.079 165 HG11 VAL 20 HG11 VAL 20 -3.467 16.113 -7.656 166 HG12 VAL 20 HG12 VAL 20 -3.766 14.365 -7.341 167 HG13 VAL 20 HG13 VAL 20 -4.475 15.136 -8.788 168 HG21 VAL 20 HG21 VAL 20 -5.979 15.880 -4.751 169 HG22 VAL 20 HG22 VAL 20 -4.738 14.622 -5.111 170 HG23 VAL 20 HG23 VAL 20 -4.294 16.365 -5.186 171 H THR 21 HN THR 21 -7.481 15.946 -9.100 172 HA THR 21 HA THR 21 -5.908 17.214 -11.237 173 HB THR 21 HB THR 21 -7.423 15.823 -12.796 174 HG1 THR 21 HG1 THR 21 -8.710 15.091 -10.801 175 HG21 THR 21 HG21 THR 21 -5.838 13.938 -12.535 176 HG22 THR 21 HG22 THR 21 -5.321 14.569 -10.929 177 HG23 THR 21 HG23 THR 21 -4.982 15.520 -12.426 178 H LYS 22 HN LYS 22 -8.232 18.431 -9.415 179 HA LYS 22 HA LYS 22 -9.891 19.898 -9.628 180 HB2 LYS 22 HB1 LYS 22 -7.771 21.069 -10.401 181 HB3 LYS 22 HB2 LYS 22 -8.354 20.800 -12.078 182 HG2 LYS 22 HG1 LYS 22 -10.585 21.994 -10.811 183 HG3 LYS 22 HG2 LYS 22 -9.241 22.810 -9.988 184 HD2 LYS 22 HD1 LYS 22 -10.002 22.702 -12.970 185 HD3 LYS 22 HD2 LYS 22 -9.927 24.146 -11.932 186 HE2 LYS 22 HE1 LYS 22 -7.579 22.519 -13.144 187 HE3 LYS 22 HE2 LYS 22 -8.039 24.227 -13.499 188 HZ1 LYS 22 HZ1 LYS 22 -6.150 24.032 -11.983 189 HZ2 LYS 22 HZ2 LYS 22 -7.120 23.172 -10.882 190 HZ3 LYS 22 HZ3 LYS 22 -7.478 24.795 -11.230 191 H LYS 23 HN LYS 23 -11.136 17.789 -10.387 192 HA LYS 23 HA LYS 23 -12.415 18.295 -13.013 193 HB2 LYS 23 HB1 LYS 23 -11.930 15.498 -11.840 194 HB3 LYS 23 HB2 LYS 23 -12.698 15.896 -13.419 195 HG2 LYS 23 HG1 LYS 23 -10.398 17.030 -14.024 196 HG3 LYS 23 HG2 LYS 23 -9.789 16.206 -12.573 197 HD2 LYS 23 HD1 LYS 23 -9.202 14.683 -14.260 198 HD3 LYS 23 HD2 LYS 23 -10.664 13.982 -13.537 199 HE2 LYS 23 HE1 LYS 23 -10.780 13.736 -15.986 200 HE3 LYS 23 HE2 LYS 23 -12.040 14.929 -15.484 201 HZ1 LYS 23 HZ1 LYS 23 -10.831 15.720 -17.388 202 HZ2 LYS 23 HZ2 LYS 23 -9.342 15.538 -16.602 203 HZ3 LYS 23 HZ3 LYS 23 -10.448 16.694 -16.053 204 H ABA 24 HN AGL 24 -14.327 16.067 -12.490 205 HA ABA 24 HA AGL 24 -16.331 15.769 -11.671 206 HB3 ABA 24 HB2 AGL 24 -16.913 16.222 -9.301 207 HB2 ABA 24 HB1 AGL 24 -15.451 17.223 -9.119 208 HG3 ABA 24 HG AGL 24 -15.498 14.148 -9.722
Contact the webmaster for help, if required. Saturday, June 15, 2024 9:58:57 PM GMT (wattos1)