NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3558 | 1dum | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -8.573 10.836 6.901 2 2H GLY 1 2H GLY 1 -10.206 11.305 6.888 3 3H GLY 1 3H GLY 1 -9.009 12.402 7.385 4 1HA GLY 1 2HA GLY 1 -9.508 11.370 4.653 5 2HA GLY 1 1HA GLY 1 -9.598 13.041 5.208 6 H ILE 2 HN ILE 2 -7.560 10.682 3.841 7 HA ILE 2 HA ILE 2 -5.325 10.807 3.131 8 HB ILE 2 HB ILE 2 -5.532 13.705 4.001 9 1HG1 ILE 2 2HG1 ILE 2 -5.747 13.068 1.142 10 2HG1 ILE 2 1HG1 ILE 2 -7.089 12.430 2.099 11 1HG2 ILE 2 1HG2 ILE 2 -3.531 14.050 2.954 12 2HG2 ILE 2 2HG2 ILE 2 -3.864 12.849 1.705 13 3HG2 ILE 2 3HG2 ILE 2 -3.294 12.336 3.294 14 1HD1 ILE 2 1HD1 ILE 2 -6.401 15.131 2.925 15 2HD1 ILE 2 2HD1 ILE 2 -7.956 14.491 2.394 16 3HD1 ILE 2 3HD1 ILE 2 -6.789 15.071 1.205 17 H GLY 3 HN GLY 3 -3.529 10.109 4.211 18 1HA GLY 3 2HA GLY 3 -2.014 11.077 6.182 19 2HA GLY 3 1HA GLY 3 -3.417 10.590 7.132 20 H LYS 4 HN LYS 4 -3.656 8.363 4.915 21 HA LYS 4 HA LYS 4 -1.646 6.556 6.201 22 1HB LYS 4 2HB LYS 4 -3.807 5.067 5.025 23 2HB LYS 4 1HB LYS 4 -3.298 5.113 6.709 24 1HG LYS 4 2HG LYS 4 -5.031 7.270 5.486 25 2HG LYS 4 1HG LYS 4 -5.709 5.827 6.235 26 1HD LYS 4 2HD LYS 4 -3.969 7.923 7.559 27 2HD LYS 4 1HD LYS 4 -5.655 7.557 7.915 28 1HE LYS 4 HE2 LYS 4 -4.897 5.208 8.530 29 2HE LYS 4 HE1 LYS 4 -3.241 5.808 8.433 30 1HZ LYS 4 1HZ LYS 4 -4.223 5.885 10.694 31 2HZ LYS 4 2HZ LYS 4 -5.342 7.033 10.131 32 3HZ LYS 4 3HZ LYS 4 -3.681 7.390 10.131 33 H TYR 5 HN TYR 5 -2.935 7.797 3.244 34 HA TYR 5 HA TYR 5 -1.730 5.668 1.624 35 1HB TYR 5 2HB TYR 5 -2.785 8.204 0.444 36 2HB TYR 5 1HB TYR 5 -2.910 6.547 -0.144 37 HD1 TYR 5 HD1 TYR 5 -4.427 9.099 1.981 38 HD2 TYR 5 HD2 TYR 5 -4.499 4.949 0.878 39 HE1 TYR 5 HE1 TYR 5 -6.666 8.858 3.026 40 HE2 TYR 5 HE2 TYR 5 -6.733 4.704 1.919 41 HH TYR 5 HH TYR 5 -8.468 7.508 3.220 42 H LEU 6 HN LEU 6 -0.932 8.848 2.780 43 HA LEU 6 HA LEU 6 1.547 8.730 1.106 44 1HB LEU 6 2HB LEU 6 0.470 11.269 2.318 45 2HB LEU 6 1HB LEU 6 1.555 11.078 0.939 46 HG LEU 6 HG LEU 6 -1.417 10.567 1.072 47 1HD1 LEU 6 1HD1 LEU 6 -0.654 11.818 -1.317 48 2HD1 LEU 6 2HD1 LEU 6 0.364 12.554 -0.078 49 3HD1 LEU 6 3HD1 LEU 6 -1.392 12.592 0.085 50 1HD2 LEU 6 1HD2 LEU 6 -1.176 8.810 -0.336 51 2HD2 LEU 6 2HD2 LEU 6 0.570 9.044 -0.406 52 3HD2 LEU 6 3HD2 LEU 6 -0.485 9.922 -1.515 53 H HIS 7 HN HIS 7 0.666 7.788 3.928 54 HA HIS 7 HA HIS 7 3.200 8.573 5.222 55 1HB HIS 7 2HB HIS 7 0.843 8.709 7.024 56 2HB HIS 7 1HB HIS 7 2.304 9.697 7.010 57 HD1 HIS 7 HD1 HIS 7 1.899 12.046 6.268 58 HD2 HIS 7 HD2 HIS 7 -0.829 9.407 4.549 59 HE1 HIS 7 HE1 HIS 7 0.362 13.444 4.816 60 H SER 8 HN SER 8 1.438 6.174 4.154 61 HA SER 8 HA SER 8 2.494 4.261 6.060 62 1HB SER 8 2HB SER 8 -0.228 5.239 6.392 63 2HB SER 8 1HB SER 8 -0.195 3.501 6.109 64 HG SER 8 HG SER 8 0.591 3.265 8.033 65 H ALA 9 HN ALA 9 0.292 4.920 3.365 66 HA ALA 9 HA ALA 9 0.161 2.230 2.387 67 1HB ALA 9 1HB ALA 9 -1.403 3.854 1.534 68 2HB ALA 9 2HB ALA 9 -0.393 3.334 0.185 69 3HB ALA 9 3HB ALA 9 -0.095 4.892 0.960 70 H LYS 10 HN LYS 10 2.076 4.970 1.063 71 HA LYS 10 HA LYS 10 3.700 3.681 -0.730 72 1HB LYS 10 2HB LYS 10 4.106 5.938 1.099 73 2HB LYS 10 1HB LYS 10 5.606 5.127 0.641 74 1HG LYS 10 2HG LYS 10 4.586 5.222 -1.779 75 2HG LYS 10 1HG LYS 10 3.603 6.519 -1.105 76 1HD LYS 10 2HD LYS 10 5.543 7.591 -1.989 77 2HD LYS 10 1HD LYS 10 5.791 7.534 -0.244 78 1HE LYS 10 HE2 LYS 10 7.684 6.359 -0.544 79 2HE LYS 10 HE1 LYS 10 6.768 5.089 -1.355 80 1HZ LYS 10 1HZ LYS 10 8.600 6.197 -2.674 81 2HZ LYS 10 2HZ LYS 10 7.593 7.563 -2.750 82 3HZ LYS 10 3HZ LYS 10 7.084 6.091 -3.428 83 H LYS 11 HN LYS 11 4.467 3.793 2.778 84 HA LYS 11 HA LYS 11 6.717 2.165 2.838 85 1HB LYS 11 2HB LYS 11 4.387 2.481 4.706 86 2HB LYS 11 1HB LYS 11 5.567 1.210 5.029 87 1HG LYS 11 2HG LYS 11 6.602 3.939 4.386 88 2HG LYS 11 1HG LYS 11 5.898 3.679 5.983 89 1HD LYS 11 2HD LYS 11 7.433 1.860 6.432 90 2HD LYS 11 1HD LYS 11 8.049 1.914 4.780 91 1HE LYS 11 HE2 LYS 11 9.242 3.873 5.143 92 2HE LYS 11 HE1 LYS 11 8.175 4.404 6.442 93 1HZ LYS 11 1HZ LYS 11 10.165 2.206 6.572 94 2HZ LYS 11 2HZ LYS 11 9.064 2.581 7.810 95 3HZ LYS 11 3HZ LYS 11 10.258 3.704 7.363 96 H PHE 12 HN PHE 12 3.434 0.826 3.388 97 HA PHE 12 HA PHE 12 4.189 -1.866 2.845 98 1HB PHE 12 2HB PHE 12 1.443 -0.748 2.249 99 2HB PHE 12 1HB PHE 12 1.868 -2.365 2.822 100 HD1 PHE 12 HD1 PHE 12 3.722 -1.863 5.008 101 HD2 PHE 12 HD2 PHE 12 0.151 0.265 3.926 102 HE1 PHE 12 HE1 PHE 12 3.465 -1.099 7.354 103 HE2 PHE 12 HE2 PHE 12 -0.105 1.029 6.270 104 HZ PHE 12 HZ PHE 12 1.551 0.347 7.985 105 H GLY 13 HN GLY 13 3.172 0.790 0.757 106 1HA GLY 13 2HA GLY 13 2.558 -0.465 -1.634 107 2HA GLY 13 1HA GLY 13 3.509 1.021 -1.569 108 H LYS 14 HN LYS 14 5.726 -0.143 -0.114 109 HA LYS 14 HA LYS 14 7.002 -1.557 -2.390 110 1HB LYS 14 2HB LYS 14 8.283 -0.556 0.170 111 2HB LYS 14 1HB LYS 14 9.103 -1.009 -1.326 112 1HG LYS 14 2HG LYS 14 7.022 1.167 -1.333 113 2HG LYS 14 1HG LYS 14 8.682 1.521 -0.851 114 1HD LYS 14 2HD LYS 14 9.075 1.799 -3.066 115 2HD LYS 14 1HD LYS 14 9.042 0.037 -3.147 116 1HE LYS 14 HE2 LYS 14 6.746 0.011 -3.796 117 2HE LYS 14 HE1 LYS 14 6.536 1.712 -3.381 118 1HZ LYS 14 1HZ LYS 14 7.792 0.511 -5.727 119 2HZ LYS 14 2HZ LYS 14 8.473 1.950 -5.133 120 3HZ LYS 14 3HZ LYS 14 6.841 1.909 -5.603 121 H ALA 15 HN ALA 15 5.900 -2.131 0.879 122 HA ALA 15 HA ALA 15 7.350 -4.711 1.013 123 1HB ALA 15 1HB ALA 15 6.911 -4.700 3.282 124 2HB ALA 15 2HB ALA 15 5.360 -3.885 3.084 125 3HB ALA 15 3HB ALA 15 6.861 -2.966 2.966 126 H TRP 16 HN TRP 16 3.975 -3.534 1.091 127 HA TRP 16 HA TRP 16 2.741 -6.082 1.179 128 1HB TRP 16 2HB TRP 16 0.760 -4.959 0.876 129 2HB TRP 16 1HB TRP 16 1.782 -3.609 1.351 130 HD1 TRP 16 HD1 TRP 16 1.642 -1.602 -0.213 131 HE1 TRP 16 HE1 TRP 16 1.024 -1.229 -2.691 132 HE3 TRP 16 HE3 TRP 16 0.778 -6.398 -1.597 133 HZ2 TRP 16 HZ2 TRP 16 0.260 -2.794 -4.974 134 HZ3 TRP 16 HZ3 TRP 16 0.124 -6.952 -3.911 135 HH2 TRP 16 HH2 TRP 16 -0.148 -5.166 -5.609 136 H VAL 17 HN VAL 17 3.730 -4.113 -1.636 137 HA VAL 17 HA VAL 17 2.688 -5.972 -3.547 138 HB VAL 17 HB VAL 17 3.728 -3.490 -3.778 139 1HG1 VAL 17 1HG1 VAL 17 6.037 -4.129 -3.350 140 2HG1 VAL 17 2HG1 VAL 17 5.878 -3.649 -5.039 141 3HG1 VAL 17 3HG1 VAL 17 5.966 -5.357 -4.614 142 1HG2 VAL 17 1HG2 VAL 17 2.600 -5.324 -5.454 143 2HG2 VAL 17 2HG2 VAL 17 4.183 -5.118 -6.205 144 3HG2 VAL 17 3HG2 VAL 17 3.132 -3.722 -5.965 145 H GLY 18 HN GLY 18 5.985 -5.602 -2.198 146 1HA GLY 18 2HA GLY 18 7.106 -7.860 -3.533 147 2HA GLY 18 1HA GLY 18 7.685 -7.216 -1.991 148 H GLU 19 HN GLU 19 4.671 -7.622 -1.170 149 HA GLU 19 HA GLU 19 5.086 -10.300 -0.045 150 1HB GLU 19 2HB GLU 19 4.232 -8.855 1.592 151 2HB GLU 19 1HB GLU 19 3.240 -7.974 0.427 152 1HG GLU 19 2HG GLU 19 1.846 -9.344 1.915 153 2HG GLU 19 1HG GLU 19 1.727 -9.884 0.241 154 H ILE 20 HN ILE 20 2.251 -8.667 -1.489 155 HA ILE 20 HA ILE 20 1.180 -11.203 -2.398 156 HB ILE 20 HB ILE 20 0.404 -8.355 -3.020 157 1HG1 ILE 20 2HG1 ILE 20 -1.107 -10.318 -1.317 158 2HG1 ILE 20 1HG1 ILE 20 0.192 -9.335 -0.634 159 1HG2 ILE 20 1HG2 ILE 20 -0.917 -9.188 -4.635 160 2HG2 ILE 20 2HG2 ILE 20 -1.771 -10.115 -3.401 161 3HG2 ILE 20 3HG2 ILE 20 -0.401 -10.829 -4.251 162 1HD1 ILE 20 1HD1 ILE 20 -2.163 -8.347 -0.462 163 2HD1 ILE 20 2HD1 ILE 20 -2.091 -8.129 -2.209 164 3HD1 ILE 20 3HD1 ILE 20 -0.934 -7.300 -1.169 165 H MET 21 HN MET 21 2.671 -8.398 -4.002 166 HA MET 21 HA MET 21 2.463 -9.358 -6.665 167 1HB MET 21 2HB MET 21 3.458 -7.092 -5.490 168 2HB MET 21 1HB MET 21 4.938 -7.883 -6.043 169 1HG MET 21 2HG MET 21 2.521 -7.522 -7.827 170 2HG MET 21 1HG MET 21 3.820 -6.328 -7.731 171 1HE MET 21 1HE MET 21 6.881 -7.755 -8.809 172 2HE MET 21 2HE MET 21 5.887 -6.463 -8.141 173 3HE MET 21 3HE MET 21 5.917 -6.731 -9.882 174 H ASN 22 HN ASN 22 4.554 -10.329 -4.055 175 HA ASN 22 HA ASN 22 6.541 -11.583 -5.805 176 1HB ASN 22 2HB ASN 22 7.228 -10.778 -3.603 177 2HB ASN 22 1HB ASN 22 6.046 -11.834 -2.822 178 1HD2 ASN 22 1HD2 ASN 22 7.994 -12.815 -1.705 179 2HD2 ASN 22 2HD2 ASN 22 8.906 -13.991 -2.539 180 H SER 23 HN SER 23 3.647 -12.575 -4.047 181 HA SER 23 HA SER 23 3.673 -15.111 -5.572 182 1HB SER 23 2HB SER 23 3.099 -15.289 -2.634 183 2HB SER 23 1HB SER 23 3.650 -16.545 -3.740 184 HG SER 23 HG SER 23 5.523 -16.065 -2.887 185 1H GLY 1 1H GLY 1 1.880 -13.832 11.898 186 2H GLY 1 2H GLY 1 0.474 -12.916 11.637 187 3H GLY 1 3H GLY 1 1.544 -12.495 12.887 188 1HA GLY 1 2HA GLY 1 2.397 -11.035 11.453 189 2HA GLY 1 1HA GLY 1 3.167 -12.451 10.735 190 H ILE 2 HN ILE 2 2.449 -10.185 9.200 191 HA ILE 2 HA ILE 2 1.387 -9.683 7.171 192 HB ILE 2 HB ILE 2 0.873 -12.658 7.358 193 1HG1 ILE 2 2HG1 ILE 2 2.369 -12.077 5.105 194 2HG1 ILE 2 1HG1 ILE 2 2.946 -10.882 6.272 195 1HG2 ILE 2 1HG2 ILE 2 0.382 -12.166 4.776 196 2HG2 ILE 2 2HG2 ILE 2 -0.175 -10.628 5.434 197 3HG2 ILE 2 3HG2 ILE 2 -0.905 -12.137 5.981 198 1HD1 ILE 2 1HD1 ILE 2 4.251 -12.981 6.413 199 2HD1 ILE 2 2HD1 ILE 2 2.769 -13.870 6.768 200 3HD1 ILE 2 3HD1 ILE 2 3.371 -12.669 7.910 201 H GLY 3 HN GLY 3 -0.176 -8.294 8.096 202 1HA GLY 3 2HA GLY 3 -2.924 -9.268 7.894 203 2HA GLY 3 1HA GLY 3 -2.460 -8.798 9.533 204 H LYS 4 HN LYS 4 -1.017 -7.212 6.824 205 HA LYS 4 HA LYS 4 -2.902 -4.936 6.956 206 1HB LYS 4 2HB LYS 4 -0.638 -3.501 7.044 207 2HB LYS 4 1HB LYS 4 -1.478 -3.991 8.515 208 1HG LYS 4 2HG LYS 4 -0.018 -6.100 8.468 209 2HG LYS 4 1HG LYS 4 0.948 -5.275 7.245 210 1HD LYS 4 2HD LYS 4 2.041 -4.181 8.877 211 2HD LYS 4 1HD LYS 4 0.524 -3.425 9.363 212 1HE LYS 4 HE2 LYS 4 0.034 -5.179 10.911 213 2HE LYS 4 HE1 LYS 4 1.306 -6.209 10.252 214 1HZ LYS 4 1HZ LYS 4 1.481 -4.110 12.196 215 2HZ LYS 4 2HZ LYS 4 2.614 -3.933 10.942 216 3HZ LYS 4 3HZ LYS 4 2.571 -5.364 11.856 217 H TYR 5 HN TYR 5 0.036 -6.355 5.571 218 HA TYR 5 HA TYR 5 0.066 -4.768 3.192 219 1HB TYR 5 2HB TYR 5 1.121 -7.577 3.398 220 2HB TYR 5 1HB TYR 5 1.773 -6.211 2.499 221 HD1 TYR 5 HD1 TYR 5 2.585 -4.155 3.851 222 HD2 TYR 5 HD2 TYR 5 1.897 -8.035 5.569 223 HE1 TYR 5 HE1 TYR 5 3.994 -3.544 5.797 224 HE2 TYR 5 HE2 TYR 5 3.309 -7.422 7.515 225 HH TYR 5 HH TYR 5 5.015 -5.883 8.134 226 H LEU 6 HN LEU 6 -1.949 -7.356 4.234 227 HA LEU 6 HA LEU 6 -2.768 -7.829 1.396 228 1HB LEU 6 2HB LEU 6 -2.808 -9.555 3.859 229 2HB LEU 6 1HB LEU 6 -3.940 -9.879 2.550 230 HG LEU 6 HG LEU 6 -1.508 -11.000 2.638 231 1HD1 LEU 6 1HD1 LEU 6 -1.682 -11.293 0.198 232 2HD1 LEU 6 2HD1 LEU 6 -2.839 -9.964 0.122 233 3HD1 LEU 6 3HD1 LEU 6 -3.257 -11.449 0.974 234 1HD2 LEU 6 1HD2 LEU 6 -1.068 -8.451 1.041 235 2HD2 LEU 6 2HD2 LEU 6 0.061 -9.795 1.187 236 3HD2 LEU 6 3HD2 LEU 6 -0.324 -8.813 2.599 237 H HIS 7 HN HIS 7 -3.760 -6.360 4.305 238 HA HIS 7 HA HIS 7 -6.549 -6.260 3.232 239 1HB HIS 7 2HB HIS 7 -6.101 -6.028 6.179 240 2HB HIS 7 1HB HIS 7 -7.488 -6.675 5.304 241 HD1 HIS 7 HD1 HIS 7 -6.762 -8.987 3.843 242 HD2 HIS 7 HD2 HIS 7 -4.591 -8.052 7.277 243 HE1 HIS 7 HE1 HIS 7 -5.578 -11.114 4.543 244 H SER 8 HN SER 8 -3.804 -4.509 4.233 245 HA SER 8 HA SER 8 -5.480 -2.045 4.317 246 1HB SER 8 2HB SER 8 -3.875 -3.039 6.402 247 2HB SER 8 1HB SER 8 -2.955 -1.710 5.700 248 HG SER 8 HG SER 8 -4.273 -0.499 6.797 249 H ALA 9 HN ALA 9 -2.498 -3.566 3.288 250 HA ALA 9 HA ALA 9 -1.459 -1.131 2.070 251 1HB ALA 9 1HB ALA 9 0.028 -2.982 2.774 252 2HB ALA 9 2HB ALA 9 0.202 -2.613 1.061 253 3HB ALA 9 3HB ALA 9 -0.722 -4.033 1.566 254 H LYS 10 HN LYS 10 -2.573 -4.221 0.657 255 HA LYS 10 HA LYS 10 -2.744 -3.532 -2.002 256 1HB LYS 10 2HB LYS 10 -4.972 -4.890 -2.006 257 2HB LYS 10 1HB LYS 10 -3.475 -5.704 -1.551 258 1HG LYS 10 2HG LYS 10 -4.329 -6.184 0.472 259 2HG LYS 10 1HG LYS 10 -4.595 -4.468 0.784 260 1HD LYS 10 2HD LYS 10 -6.733 -5.616 0.926 261 2HD LYS 10 1HD LYS 10 -6.727 -4.620 -0.530 262 1HE LYS 10 HE2 LYS 10 -5.699 -6.922 -1.531 263 2HE LYS 10 HE1 LYS 10 -6.736 -7.574 -0.262 264 1HZ LYS 10 1HZ LYS 10 -8.439 -5.904 -1.251 265 2HZ LYS 10 2HZ LYS 10 -8.189 -7.406 -2.005 266 3HZ LYS 10 3HZ LYS 10 -7.466 -6.004 -2.636 267 H LYS 11 HN LYS 11 -5.356 -2.820 0.363 268 HA LYS 11 HA LYS 11 -7.097 -1.465 -1.366 269 1HB LYS 11 2HB LYS 11 -6.599 -1.511 1.518 270 2HB LYS 11 1HB LYS 11 -7.190 0.055 0.963 271 1HG LYS 11 2HG LYS 11 -9.077 -1.056 -0.177 272 2HG LYS 11 1HG LYS 11 -8.493 -2.623 0.386 273 1HD LYS 11 2HD LYS 11 -8.597 -1.481 2.758 274 2HD LYS 11 1HD LYS 11 -9.729 -0.388 1.963 275 1HE LYS 11 HE2 LYS 11 -9.958 -3.410 2.065 276 2HE LYS 11 HE1 LYS 11 -10.940 -2.267 2.981 277 1HZ LYS 11 1HZ LYS 11 -11.335 -3.189 0.367 278 2HZ LYS 11 2HZ LYS 11 -11.019 -1.521 0.291 279 3HZ LYS 11 3HZ LYS 11 -12.290 -2.105 1.256 280 H PHE 12 HN PHE 12 -4.718 0.214 0.728 281 HA PHE 12 HA PHE 12 -4.895 2.668 -0.738 282 1HB PHE 12 2HB PHE 12 -2.494 1.737 0.854 283 2HB PHE 12 1HB PHE 12 -3.019 3.398 0.560 284 HD1 PHE 12 HD1 PHE 12 -6.060 2.612 0.902 285 HD2 PHE 12 HD2 PHE 12 -2.542 2.043 3.301 286 HE1 PHE 12 HE1 PHE 12 -7.465 2.531 2.944 287 HE2 PHE 12 HE2 PHE 12 -3.947 1.962 5.342 288 HZ PHE 12 HZ PHE 12 -6.410 2.207 5.164 289 H GLY 13 HN GLY 13 -2.852 -0.190 -1.075 290 1HA GLY 13 2HA GLY 13 -0.802 0.636 -2.732 291 2HA GLY 13 1HA GLY 13 -1.654 -0.886 -2.990 292 H LYS 14 HN LYS 14 -4.211 0.219 -3.593 293 HA LYS 14 HA LYS 14 -3.652 1.116 -6.359 294 1HB LYS 14 2HB LYS 14 -6.222 0.278 -4.983 295 2HB LYS 14 1HB LYS 14 -6.095 0.715 -6.688 296 1HG LYS 14 2HG LYS 14 -4.080 -1.249 -5.922 297 2HG LYS 14 1HG LYS 14 -5.716 -1.832 -5.614 298 1HD LYS 14 2HD LYS 14 -5.225 -2.444 -7.871 299 2HD LYS 14 1HD LYS 14 -6.296 -1.046 -7.974 300 1HE LYS 14 HE2 LYS 14 -4.683 0.275 -8.878 301 2HE LYS 14 HE1 LYS 14 -3.434 -0.361 -7.807 302 1HZ LYS 14 1HZ LYS 14 -3.815 -2.483 -9.292 303 2HZ LYS 14 2HZ LYS 14 -2.744 -1.250 -9.758 304 3HZ LYS 14 3HZ LYS 14 -4.306 -1.320 -10.425 305 H ALA 15 HN ALA 15 -4.667 2.470 -3.341 306 HA ALA 15 HA ALA 15 -5.825 4.822 -4.757 307 1HB ALA 15 1HB ALA 15 -7.348 4.621 -3.106 308 2HB ALA 15 2HB ALA 15 -6.111 5.270 -2.030 309 3HB ALA 15 3HB ALA 15 -6.316 3.525 -2.187 310 H TRP 16 HN TRP 16 -3.414 4.030 -2.248 311 HA TRP 16 HA TRP 16 -2.465 6.629 -1.749 312 1HB TRP 16 2HB TRP 16 -0.727 5.613 -0.629 313 2HB TRP 16 1HB TRP 16 -1.876 4.283 -0.692 314 HD1 TRP 16 HD1 TRP 16 -0.950 2.104 -1.616 315 HE1 TRP 16 HE1 TRP 16 1.078 1.427 -3.065 316 HE3 TRP 16 HE3 TRP 16 0.888 6.696 -2.674 317 HZ2 TRP 16 HZ2 TRP 16 3.220 2.706 -4.494 318 HZ3 TRP 16 HZ3 TRP 16 2.926 6.971 -4.079 319 HH2 TRP 16 HH2 TRP 16 4.090 4.983 -4.990 320 H VAL 17 HN VAL 17 -1.472 4.326 -4.285 321 HA VAL 17 HA VAL 17 0.589 5.965 -5.363 322 HB VAL 17 HB VAL 17 -0.397 3.466 -5.945 323 1HG1 VAL 17 1HG1 VAL 17 -0.997 3.569 -8.388 324 2HG1 VAL 17 2HG1 VAL 17 -1.158 5.316 -8.225 325 3HG1 VAL 17 3HG1 VAL 17 -2.230 4.243 -7.325 326 1HG2 VAL 17 1HG2 VAL 17 1.163 4.507 -8.163 327 2HG2 VAL 17 2HG2 VAL 17 1.637 3.363 -6.907 328 3HG2 VAL 17 3HG2 VAL 17 1.780 5.098 -6.620 329 H GLY 18 HN GLY 18 -2.849 5.694 -6.363 330 1HA GLY 18 2HA GLY 18 -2.788 7.733 -8.311 331 2HA GLY 18 1HA GLY 18 -4.218 7.336 -7.352 332 H GLU 19 HN GLU 19 -2.406 7.936 -4.899 333 HA GLU 19 HA GLU 19 -3.127 10.780 -4.720 334 1HB GLU 19 2HB GLU 19 -1.689 9.051 -2.682 335 2HB GLU 19 1HB GLU 19 -2.588 10.547 -2.380 336 1HG GLU 19 2HG GLU 19 -4.195 8.532 -3.749 337 2HG GLU 19 1HG GLU 19 -3.597 7.971 -2.190 338 H ILE 20 HN ILE 20 -0.234 8.917 -3.862 339 HA ILE 20 HA ILE 20 1.508 11.202 -4.158 340 HB ILE 20 HB ILE 20 1.806 8.269 -3.648 341 1HG1 ILE 20 2HG1 ILE 20 3.003 10.601 -2.162 342 2HG1 ILE 20 1HG1 ILE 20 1.323 10.115 -1.929 343 1HG2 ILE 20 1HG2 ILE 20 4.347 8.815 -3.450 344 2HG2 ILE 20 2HG2 ILE 20 3.989 10.174 -4.515 345 3HG2 ILE 20 3HG2 ILE 20 3.694 8.524 -5.062 346 1HD1 ILE 20 1HD1 ILE 20 3.742 8.325 -1.566 347 2HD1 ILE 20 2HD1 ILE 20 2.062 7.833 -1.345 348 3HD1 ILE 20 3HD1 ILE 20 2.781 9.027 -0.264 349 H MET 21 HN MET 21 1.024 8.225 -6.017 350 HA MET 21 HA MET 21 2.850 8.742 -8.112 351 1HB MET 21 2HB MET 21 0.990 6.773 -7.476 352 2HB MET 21 1HB MET 21 0.403 7.429 -9.009 353 1HG MET 21 2HG MET 21 3.137 7.249 -9.399 354 2HG MET 21 1HG MET 21 2.767 5.806 -8.451 355 1HE MET 21 1HE MET 21 2.427 6.344 -12.776 356 2HE MET 21 2HE MET 21 3.473 7.019 -11.529 357 3HE MET 21 3HE MET 21 1.919 7.776 -11.869 358 H ASN 22 HN ASN 22 -0.292 10.110 -7.458 359 HA ASN 22 HA ASN 22 -0.375 11.318 -10.180 360 1HB ASN 22 2HB ASN 22 -2.403 10.144 -9.021 361 2HB ASN 22 1HB ASN 22 -2.523 11.645 -8.096 362 1HD2 ASN 22 1HD2 ASN 22 -3.774 13.244 -9.064 363 2HD2 ASN 22 2HD2 ASN 22 -4.109 13.347 -10.734 364 H SER 23 HN SER 23 -0.168 12.136 -6.747 365 HA SER 23 HA SER 23 0.394 14.956 -7.578 366 1HB SER 23 2HB SER 23 -1.780 14.502 -6.252 367 2HB SER 23 1HB SER 23 -0.722 14.190 -4.880 368 HG SER 23 HG SER 23 -0.443 16.258 -4.701 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -9.377 9.754 0.746 2 2H GLY 1 2H GLY 1 -9.116 11.136 -0.207 3 3H GLY 1 3H GLY 1 -10.612 10.902 0.564 4 1HA GLY 1 2HA GLY 1 -9.527 12.483 1.877 5 2HA GLY 1 1HA GLY 1 -9.342 10.953 2.736 6 H ILE 2 HN ILE 2 -7.509 12.912 3.274 7 HA ILE 2 HA ILE 2 -5.050 11.791 2.014 8 HB ILE 2 HB ILE 2 -5.402 14.737 2.622 9 1HG1 ILE 2 2HG1 ILE 2 -5.484 13.445 -0.117 10 2HG1 ILE 2 1HG1 ILE 2 -6.948 13.843 0.791 11 1HG2 ILE 2 1HG2 ILE 2 -3.092 13.938 2.594 12 2HG2 ILE 2 2HG2 ILE 2 -3.396 14.905 1.150 13 3HG2 ILE 2 3HG2 ILE 2 -3.360 13.145 1.041 14 1HD1 ILE 2 1HD1 ILE 2 -6.042 15.601 -0.896 15 2HD1 ILE 2 2HD1 ILE 2 -4.808 15.916 0.324 16 3HD1 ILE 2 3HD1 ILE 2 -6.512 16.159 0.710 17 H GLY 3 HN GLY 3 -3.366 11.497 3.472 18 1HA GLY 3 2HA GLY 3 -2.262 12.279 5.587 19 2HA GLY 3 1HA GLY 3 -3.880 12.392 6.283 20 H LYS 4 HN LYS 4 -2.869 9.801 4.165 21 HA LYS 4 HA LYS 4 -2.314 7.933 6.349 22 1HB LYS 4 2HB LYS 4 -4.247 6.431 5.229 23 2HB LYS 4 1HB LYS 4 -4.567 7.490 6.602 24 1HG LYS 4 2HG LYS 4 -4.719 8.812 3.965 25 2HG LYS 4 1HG LYS 4 -5.951 7.581 4.244 26 1HD LYS 4 2HD LYS 4 -5.483 9.380 6.537 27 2HD LYS 4 1HD LYS 4 -6.141 10.175 5.105 28 1HE LYS 4 HE2 LYS 4 -8.064 8.816 5.082 29 2HE LYS 4 HE1 LYS 4 -7.321 7.590 6.109 30 1HZ LYS 4 1HZ LYS 4 -7.201 9.541 7.795 31 2HZ LYS 4 2HZ LYS 4 -8.656 8.688 7.589 32 3HZ LYS 4 3HZ LYS 4 -8.443 10.203 6.849 33 H TYR 5 HN TYR 5 -3.097 8.418 2.925 34 HA TYR 5 HA TYR 5 -1.572 6.076 2.107 35 1HB TYR 5 2HB TYR 5 -2.448 8.225 0.211 36 2HB TYR 5 1HB TYR 5 -2.382 6.480 -0.017 37 HD1 TYR 5 HD1 TYR 5 -4.105 5.006 0.881 38 HD2 TYR 5 HD2 TYR 5 -4.346 9.270 1.346 39 HE1 TYR 5 HE1 TYR 5 -6.488 4.795 1.530 40 HE2 TYR 5 HE2 TYR 5 -6.734 9.062 1.997 41 HH TYR 5 HH TYR 5 -8.138 6.241 2.947 42 H LEU 6 HN LEU 6 -0.859 9.273 2.982 43 HA LEU 6 HA LEU 6 1.693 9.191 1.421 44 1HB LEU 6 2HB LEU 6 0.314 11.584 2.672 45 2HB LEU 6 1HB LEU 6 1.748 11.620 1.646 46 HG LEU 6 HG LEU 6 -0.063 12.160 0.213 47 1HD1 LEU 6 1HD1 LEU 6 1.449 10.511 -0.764 48 2HD1 LEU 6 2HD1 LEU 6 -0.199 10.179 -1.299 49 3HD1 LEU 6 3HD1 LEU 6 0.532 9.194 -0.030 50 1HD2 LEU 6 1HD2 LEU 6 -2.193 11.265 0.337 51 2HD2 LEU 6 2HD2 LEU 6 -1.683 11.066 2.014 52 3HD2 LEU 6 3HD2 LEU 6 -1.610 9.702 0.903 53 H HIS 7 HN HIS 7 0.662 8.269 4.315 54 HA HIS 7 HA HIS 7 3.148 9.240 5.649 55 1HB HIS 7 2HB HIS 7 0.505 8.827 7.067 56 2HB HIS 7 1HB HIS 7 1.977 9.540 7.730 57 HD1 HIS 7 HD1 HIS 7 2.712 11.411 5.373 58 HD2 HIS 7 HD2 HIS 7 -1.124 11.098 6.976 59 HE1 HIS 7 HE1 HIS 7 1.512 13.562 4.781 60 H SER 8 HN SER 8 0.772 6.664 5.259 61 HA SER 8 HA SER 8 2.754 4.836 6.541 62 1HB SER 8 2HB SER 8 -0.059 5.268 7.193 63 2HB SER 8 1HB SER 8 0.289 3.581 6.831 64 HG SER 8 HG SER 8 1.538 5.269 8.737 65 H ALA 9 HN ALA 9 0.384 5.345 4.010 66 HA ALA 9 HA ALA 9 0.222 2.776 2.885 67 1HB ALA 9 1HB ALA 9 -1.043 4.224 1.632 68 2HB ALA 9 2HB ALA 9 0.422 4.281 0.655 69 3HB ALA 9 3HB ALA 9 0.108 5.543 1.832 70 H LYS 10 HN LYS 10 2.307 5.247 1.457 71 HA LYS 10 HA LYS 10 4.048 3.878 -0.064 72 1HB LYS 10 2HB LYS 10 4.254 6.311 0.699 73 2HB LYS 10 1HB LYS 10 5.201 5.693 2.051 74 1HG LYS 10 2HG LYS 10 6.836 4.729 0.558 75 2HG LYS 10 1HG LYS 10 5.839 5.102 -0.849 76 1HD LYS 10 2HD LYS 10 6.469 7.292 -0.879 77 2HD LYS 10 1HD LYS 10 6.475 7.414 0.882 78 1HE LYS 10 HE2 LYS 10 8.755 7.559 -0.348 79 2HE LYS 10 HE1 LYS 10 8.642 6.500 1.058 80 1HZ LYS 10 1HZ LYS 10 8.887 4.679 -0.193 81 2HZ LYS 10 2HZ LYS 10 9.533 5.737 -1.355 82 3HZ LYS 10 3HZ LYS 10 7.904 5.264 -1.444 83 H LYS 11 HN LYS 11 4.281 3.816 3.510 84 HA LYS 11 HA LYS 11 6.618 2.223 3.700 85 1HB LYS 11 2HB LYS 11 4.172 2.486 5.445 86 2HB LYS 11 1HB LYS 11 5.449 1.341 5.850 87 1HG LYS 11 2HG LYS 11 7.096 3.244 5.688 88 2HG LYS 11 1HG LYS 11 5.722 4.339 5.524 89 1HD LYS 11 2HD LYS 11 4.873 3.097 7.698 90 2HD LYS 11 1HD LYS 11 6.588 2.732 7.900 91 1HE LYS 11 HE2 LYS 11 6.308 5.492 7.154 92 2HE LYS 11 HE1 LYS 11 5.248 5.158 8.523 93 1HZ LYS 11 1HZ LYS 11 6.978 4.886 9.877 94 2HZ LYS 11 2HZ LYS 11 7.915 5.621 8.666 95 3HZ LYS 11 3HZ LYS 11 7.828 3.929 8.765 96 H PHE 12 HN PHE 12 3.248 1.028 3.961 97 HA PHE 12 HA PHE 12 4.059 -1.696 3.374 98 1HB PHE 12 2HB PHE 12 1.237 -0.815 2.916 99 2HB PHE 12 1HB PHE 12 1.842 -2.261 3.732 100 HD1 PHE 12 HD1 PHE 12 0.126 0.674 4.311 101 HD2 PHE 12 HD2 PHE 12 3.460 -1.548 5.859 102 HE1 PHE 12 HE1 PHE 12 -0.142 1.801 6.502 103 HE2 PHE 12 HE2 PHE 12 3.193 -0.420 8.052 104 HZ PHE 12 HZ PHE 12 1.392 1.256 8.373 105 H GLY 13 HN GLY 13 3.065 1.093 1.539 106 1HA GLY 13 2HA GLY 13 2.200 -0.026 -0.879 107 2HA GLY 13 1HA GLY 13 3.122 1.472 -0.776 108 H LYS 14 HN LYS 14 5.543 0.536 0.225 109 HA LYS 14 HA LYS 14 6.617 -0.773 -2.180 110 1HB LYS 14 2HB LYS 14 7.754 0.638 0.196 111 2HB LYS 14 1HB LYS 14 8.790 -0.503 -0.662 112 1HG LYS 14 2HG LYS 14 7.225 1.542 -2.212 113 2HG LYS 14 1HG LYS 14 8.738 2.004 -1.432 114 1HD LYS 14 2HD LYS 14 8.454 -0.354 -3.314 115 2HD LYS 14 1HD LYS 14 9.036 1.236 -3.805 116 1HE LYS 14 HE2 LYS 14 10.802 1.028 -1.993 117 2HE LYS 14 HE1 LYS 14 10.305 -0.653 -1.809 118 1HZ LYS 14 1HZ LYS 14 10.895 -1.113 -4.041 119 2HZ LYS 14 2HZ LYS 14 12.208 -0.281 -3.352 120 3HZ LYS 14 3HZ LYS 14 11.140 0.527 -4.397 121 H ALA 15 HN ALA 15 5.511 -1.776 0.898 122 HA ALA 15 HA ALA 15 7.234 -4.198 0.827 123 1HB ALA 15 1HB ALA 15 6.698 -4.529 3.091 124 2HB ALA 15 2HB ALA 15 5.219 -3.575 2.977 125 3HB ALA 15 3HB ALA 15 6.790 -2.774 2.954 126 H TRP 16 HN TRP 16 3.769 -3.349 1.087 127 HA TRP 16 HA TRP 16 2.773 -5.992 0.892 128 1HB TRP 16 2HB TRP 16 0.673 -5.016 0.737 129 2HB TRP 16 1HB TRP 16 1.598 -3.710 1.472 130 HD1 TRP 16 HD1 TRP 16 1.483 -1.461 0.262 131 HE1 TRP 16 HE1 TRP 16 0.783 -0.677 -2.094 132 HE3 TRP 16 HE3 TRP 16 0.586 -5.957 -1.863 133 HZ2 TRP 16 HZ2 TRP 16 -0.062 -1.843 -4.582 134 HZ3 TRP 16 HZ3 TRP 16 -0.169 -6.121 -4.237 135 HH2 TRP 16 HH2 TRP 16 -0.495 -4.074 -5.591 136 H VAL 17 HN VAL 17 3.505 -3.624 -1.668 137 HA VAL 17 HA VAL 17 2.462 -5.158 -3.811 138 HB VAL 17 HB VAL 17 3.708 -2.722 -3.581 139 1HG1 VAL 17 1HG1 VAL 17 5.595 -4.602 -5.027 140 2HG1 VAL 17 2HG1 VAL 17 5.965 -3.569 -3.647 141 3HG1 VAL 17 3HG1 VAL 17 5.629 -2.851 -5.222 142 1HG2 VAL 17 1HG2 VAL 17 3.716 -3.165 -6.299 143 2HG2 VAL 17 2HG2 VAL 17 2.297 -2.719 -5.350 144 3HG2 VAL 17 3HG2 VAL 17 2.613 -4.414 -5.719 145 H GLY 18 HN GLY 18 5.822 -5.072 -2.550 146 1HA GLY 18 2HA GLY 18 6.866 -7.118 -4.194 147 2HA GLY 18 1HA GLY 18 7.449 -6.772 -2.564 148 H GLU 19 HN GLU 19 4.496 -7.299 -1.714 149 HA GLU 19 HA GLU 19 4.888 -10.171 -1.199 150 1HB GLU 19 2HB GLU 19 2.585 -8.381 -0.353 151 2HB GLU 19 1HB GLU 19 3.087 -9.911 0.388 152 1HG GLU 19 2HG GLU 19 5.176 -7.835 0.236 153 2HG GLU 19 1HG GLU 19 3.819 -7.455 1.298 154 H ILE 20 HN ILE 20 2.124 -8.183 -2.147 155 HA ILE 20 HA ILE 20 0.755 -10.365 -3.428 156 HB ILE 20 HB ILE 20 0.419 -7.397 -3.227 157 1HG1 ILE 20 2HG1 ILE 20 -1.312 -9.754 -2.452 158 2HG1 ILE 20 1HG1 ILE 20 -0.247 -8.856 -1.363 159 1HG2 ILE 20 1HG2 ILE 20 -1.881 -7.976 -4.422 160 2HG2 ILE 20 2HG2 ILE 20 -0.932 -9.273 -5.149 161 3HG2 ILE 20 3HG2 ILE 20 -0.454 -7.592 -5.385 162 1HD1 ILE 20 1HD1 ILE 20 -1.528 -6.790 -1.834 163 2HD1 ILE 20 2HD1 ILE 20 -2.559 -8.047 -1.150 164 3HD1 ILE 20 3HD1 ILE 20 -2.610 -7.708 -2.880 165 H MET 21 HN MET 21 2.431 -7.478 -4.669 166 HA MET 21 HA MET 21 2.077 -7.989 -7.420 167 1HB MET 21 2HB MET 21 3.405 -6.101 -5.883 168 2HB MET 21 1HB MET 21 4.707 -6.884 -6.786 169 1HG MET 21 2HG MET 21 2.283 -6.291 -8.363 170 2HG MET 21 1HG MET 21 3.147 -4.869 -7.770 171 1HE MET 21 1HE MET 21 3.424 -6.062 -11.441 172 2HE MET 21 2HE MET 21 4.152 -4.514 -11.020 173 3HE MET 21 3HE MET 21 2.630 -4.995 -10.275 174 H ASN 22 HN ASN 22 4.072 -9.625 -5.104 175 HA ASN 22 HA ASN 22 5.625 -10.918 -7.296 176 1HB ASN 22 2HB ASN 22 6.526 -9.951 -4.935 177 2HB ASN 22 1HB ASN 22 6.173 -11.617 -4.461 178 1HD2 ASN 22 1HD2 ASN 22 8.704 -11.564 -4.285 179 2HD2 ASN 22 2HD2 ASN 22 9.566 -11.981 -5.698 180 H SER 23 HN SER 23 3.396 -11.622 -4.630 181 HA SER 23 HA SER 23 3.209 -14.426 -5.652 182 1HB SER 23 2HB SER 23 2.684 -13.243 -2.919 183 2HB SER 23 1HB SER 23 2.127 -14.851 -3.373 184 HG SER 23 HG SER 23 4.497 -15.014 -4.094 185 1H GLY 1 1H GLY 1 3.321 -15.110 7.371 186 2H GLY 1 2H GLY 1 5.013 -15.054 7.512 187 3H GLY 1 3H GLY 1 4.228 -14.152 6.305 188 1HA GLY 1 2HA GLY 1 3.439 -13.637 9.067 189 2HA GLY 1 1HA GLY 1 5.027 -13.062 8.559 190 H ILE 2 HN ILE 2 2.217 -13.372 6.447 191 HA ILE 2 HA ILE 2 2.296 -10.405 6.087 192 HB ILE 2 HB ILE 2 1.109 -11.036 3.868 193 1HG1 ILE 2 2HG1 ILE 2 2.445 -13.695 4.422 194 2HG1 ILE 2 1HG1 ILE 2 0.728 -13.426 4.747 195 1HG2 ILE 2 1HG2 ILE 2 3.244 -10.272 3.475 196 2HG2 ILE 2 2HG2 ILE 2 3.503 -11.964 3.049 197 3HG2 ILE 2 3HG2 ILE 2 3.966 -11.376 4.645 198 1HD1 ILE 2 1HD1 ILE 2 1.987 -12.846 2.057 199 2HD1 ILE 2 2HD1 ILE 2 0.271 -12.966 2.445 200 3HD1 ILE 2 3HD1 ILE 2 1.280 -14.412 2.458 201 H GLY 3 HN GLY 3 0.759 -9.886 7.717 202 1HA GLY 3 2HA GLY 3 -2.002 -10.859 7.119 203 2HA GLY 3 1HA GLY 3 -1.438 -10.665 8.780 204 H LYS 4 HN LYS 4 -0.451 -8.400 6.339 205 HA LYS 4 HA LYS 4 -2.568 -6.475 7.060 206 1HB LYS 4 2HB LYS 4 -0.399 -4.831 7.297 207 2HB LYS 4 1HB LYS 4 -1.235 -5.554 8.668 208 1HG LYS 4 2HG LYS 4 0.356 -7.543 8.408 209 2HG LYS 4 1HG LYS 4 1.293 -6.518 7.318 210 1HD LYS 4 2HD LYS 4 2.219 -6.308 9.555 211 2HD LYS 4 1HD LYS 4 1.410 -4.795 9.140 212 1HE LYS 4 HE2 LYS 4 -0.222 -5.086 10.707 213 2HE LYS 4 HE1 LYS 4 -0.309 -6.826 10.434 214 1HZ LYS 4 1HZ LYS 4 0.773 -6.984 12.359 215 2HZ LYS 4 2HZ LYS 4 1.231 -5.347 12.357 216 3HZ LYS 4 3HZ LYS 4 2.152 -6.492 11.505 217 H TYR 5 HN TYR 5 0.491 -7.024 5.328 218 HA TYR 5 HA TYR 5 -0.029 -5.059 3.280 219 1HB TYR 5 2HB TYR 5 1.718 -7.463 2.880 220 2HB TYR 5 1HB TYR 5 1.940 -5.806 2.325 221 HD1 TYR 5 HD1 TYR 5 2.475 -3.984 3.983 222 HD2 TYR 5 HD2 TYR 5 2.580 -8.158 4.995 223 HE1 TYR 5 HE1 TYR 5 3.836 -3.462 5.988 224 HE2 TYR 5 HE2 TYR 5 3.942 -7.636 7.001 225 HH TYR 5 HH TYR 5 5.589 -4.902 7.441 226 H LEU 6 HN LEU 6 -1.247 -8.188 3.918 227 HA LEU 6 HA LEU 6 -2.196 -8.368 1.093 228 1HB LEU 6 2HB LEU 6 -1.508 -10.435 3.161 229 2HB LEU 6 1HB LEU 6 -2.679 -10.828 1.903 230 HG LEU 6 HG LEU 6 -0.070 -11.251 1.556 231 1HD1 LEU 6 1HD1 LEU 6 -1.898 -11.751 -0.039 232 2HD1 LEU 6 2HD1 LEU 6 -0.474 -11.112 -0.859 233 3HD1 LEU 6 3HD1 LEU 6 -1.873 -10.072 -0.574 234 1HD2 LEU 6 1HD2 LEU 6 0.469 -8.818 1.950 235 2HD2 LEU 6 2HD2 LEU 6 -0.429 -8.431 0.483 236 3HD2 LEU 6 3HD2 LEU 6 1.028 -9.422 0.390 237 H HIS 7 HN HIS 7 -3.256 -7.222 3.936 238 HA HIS 7 HA HIS 7 -6.062 -7.940 3.265 239 1HB HIS 7 2HB HIS 7 -5.178 -7.875 6.145 240 2HB HIS 7 1HB HIS 7 -6.640 -8.581 5.456 241 HD1 HIS 7 HD1 HIS 7 -5.651 -10.405 3.315 242 HD2 HIS 7 HD2 HIS 7 -3.634 -10.002 6.938 243 HE1 HIS 7 HE1 HIS 7 -4.265 -12.507 3.599 244 H SER 8 HN SER 8 -4.015 -5.519 3.395 245 HA SER 8 HA SER 8 -6.083 -3.556 3.961 246 1HB SER 8 2HB SER 8 -3.913 -2.799 5.694 247 2HB SER 8 1HB SER 8 -5.609 -3.041 6.099 248 HG SER 8 HG SER 8 -4.623 -4.595 7.228 249 H ALA 9 HN ALA 9 -2.658 -4.241 3.375 250 HA ALA 9 HA ALA 9 -1.909 -1.606 2.563 251 1HB ALA 9 1HB ALA 9 -0.856 -4.318 1.700 252 2HB ALA 9 2HB ALA 9 -0.195 -3.262 2.957 253 3HB ALA 9 3HB ALA 9 -0.109 -2.777 1.267 254 H LYS 10 HN LYS 10 -2.574 -4.416 0.443 255 HA LYS 10 HA LYS 10 -2.676 -3.333 -2.039 256 1HB LYS 10 2HB LYS 10 -3.879 -5.555 -0.847 257 2HB LYS 10 1HB LYS 10 -5.216 -4.685 -1.602 258 1HG LYS 10 2HG LYS 10 -3.774 -4.547 -3.700 259 2HG LYS 10 1HG LYS 10 -2.694 -5.705 -2.922 260 1HD LYS 10 2HD LYS 10 -4.230 -6.966 -4.290 261 2HD LYS 10 1HD LYS 10 -4.695 -7.220 -2.607 262 1HE LYS 10 HE2 LYS 10 -6.505 -5.658 -2.778 263 2HE LYS 10 HE1 LYS 10 -5.941 -5.080 -4.346 264 1HZ LYS 10 1HZ LYS 10 -6.646 -7.916 -3.948 265 2HZ LYS 10 2HZ LYS 10 -6.592 -7.022 -5.392 266 3HZ LYS 10 3HZ LYS 10 -7.849 -6.767 -4.278 267 H LYS 11 HN LYS 11 -5.276 -2.870 0.363 268 HA LYS 11 HA LYS 11 -7.049 -1.346 -1.205 269 1HB LYS 11 2HB LYS 11 -6.324 -0.972 1.723 270 2HB LYS 11 1HB LYS 11 -7.743 -0.274 0.941 271 1HG LYS 11 2HG LYS 11 -8.504 -2.570 0.343 272 2HG LYS 11 1HG LYS 11 -7.126 -3.230 1.225 273 1HD LYS 11 2HD LYS 11 -8.379 -3.165 3.094 274 2HD LYS 11 1HD LYS 11 -8.336 -1.405 2.992 275 1HE LYS 11 HE2 LYS 11 -10.655 -2.060 3.072 276 2HE LYS 11 HE1 LYS 11 -10.314 -1.537 1.423 277 1HZ LYS 11 1HZ LYS 11 -11.521 -3.574 1.336 278 2HZ LYS 11 2HZ LYS 11 -10.453 -4.329 2.420 279 3HZ LYS 11 3HZ LYS 11 -9.927 -3.902 0.861 280 H PHE 12 HN PHE 12 -4.671 0.085 1.069 281 HA PHE 12 HA PHE 12 -4.755 2.647 -0.274 282 1HB PHE 12 2HB PHE 12 -2.369 1.878 1.363 283 2HB PHE 12 1HB PHE 12 -3.293 3.388 1.366 284 HD1 PHE 12 HD1 PHE 12 -5.729 3.266 2.269 285 HD2 PHE 12 HD2 PHE 12 -2.750 0.269 3.035 286 HE1 PHE 12 HE1 PHE 12 -7.035 2.470 4.220 287 HE2 PHE 12 HE2 PHE 12 -4.056 -0.527 4.988 288 HZ PHE 12 HZ PHE 12 -6.198 0.573 5.580 289 H GLY 13 HN GLY 13 -3.142 -0.324 -0.853 290 1HA GLY 13 2HA GLY 13 -0.763 0.523 -2.147 291 2HA GLY 13 1HA GLY 13 -1.641 -0.953 -2.544 292 H LYS 14 HN LYS 14 -4.087 0.231 -3.342 293 HA LYS 14 HA LYS 14 -3.284 1.188 -6.013 294 1HB LYS 14 2HB LYS 14 -5.868 0.269 -4.765 295 2HB LYS 14 1HB LYS 14 -5.866 1.102 -6.322 296 1HG LYS 14 2HG LYS 14 -4.159 -1.327 -5.722 297 2HG LYS 14 1HG LYS 14 -5.742 -1.413 -6.498 298 1HD LYS 14 2HD LYS 14 -4.221 0.609 -7.826 299 2HD LYS 14 1HD LYS 14 -3.221 -0.840 -7.710 300 1HE LYS 14 HE2 LYS 14 -4.397 -1.326 -9.638 301 2HE LYS 14 HE1 LYS 14 -5.473 -2.037 -8.434 302 1HZ LYS 14 1HZ LYS 14 -6.503 -0.498 -10.152 303 2HZ LYS 14 2HZ LYS 14 -5.760 0.774 -9.305 304 3HZ LYS 14 3HZ LYS 14 -6.902 -0.215 -8.527 305 H ALA 15 HN ALA 15 -5.045 2.387 -3.171 306 HA ALA 15 HA ALA 15 -5.750 4.907 -4.452 307 1HB ALA 15 1HB ALA 15 -7.218 4.672 -2.729 308 2HB ALA 15 2HB ALA 15 -5.933 5.390 -1.757 309 3HB ALA 15 3HB ALA 15 -6.120 3.637 -1.815 310 H TRP 16 HN TRP 16 -3.331 3.918 -2.016 311 HA TRP 16 HA TRP 16 -2.157 6.503 -1.730 312 1HB TRP 16 2HB TRP 16 -0.745 5.478 -0.290 313 2HB TRP 16 1HB TRP 16 -1.851 4.121 -0.452 314 HD1 TRP 16 HD1 TRP 16 -0.662 1.932 -0.972 315 HE1 TRP 16 HE1 TRP 16 1.524 1.243 -2.162 316 HE3 TRP 16 HE3 TRP 16 1.022 6.512 -2.345 317 HZ2 TRP 16 HZ2 TRP 16 3.722 2.504 -3.513 318 HZ3 TRP 16 HZ3 TRP 16 3.162 6.757 -3.560 319 HH2 TRP 16 HH2 TRP 16 4.514 4.773 -4.159 320 H VAL 17 HN VAL 17 -1.169 3.722 -3.779 321 HA VAL 17 HA VAL 17 0.923 5.264 -5.033 322 HB VAL 17 HB VAL 17 0.341 2.597 -4.986 323 1HG1 VAL 17 1HG1 VAL 17 -0.219 1.901 -7.299 324 2HG1 VAL 17 2HG1 VAL 17 -0.530 3.586 -7.716 325 3HG1 VAL 17 3HG1 VAL 17 -1.546 2.769 -6.529 326 1HG2 VAL 17 1HG2 VAL 17 2.345 4.208 -5.922 327 2HG2 VAL 17 2HG2 VAL 17 1.823 3.406 -7.403 328 3HG2 VAL 17 3HG2 VAL 17 2.357 2.448 -6.024 329 H GLY 18 HN GLY 18 -2.436 4.494 -5.920 330 1HA GLY 18 2HA GLY 18 -2.453 5.878 -8.418 331 2HA GLY 18 1HA GLY 18 -3.875 5.631 -7.396 332 H GLU 19 HN GLU 19 -2.040 6.978 -5.221 333 HA GLU 19 HA GLU 19 -3.004 9.701 -5.755 334 1HB GLU 19 2HB GLU 19 -3.486 9.100 -3.535 335 2HB GLU 19 1HB GLU 19 -1.995 8.170 -3.370 336 1HG GLU 19 2HG GLU 19 -1.904 10.261 -2.063 337 2HG GLU 19 1HG GLU 19 -0.681 10.227 -3.333 338 H ILE 20 HN ILE 20 0.014 8.403 -4.344 339 HA ILE 20 HA ILE 20 1.504 10.686 -5.286 340 HB ILE 20 HB ILE 20 2.405 8.034 -4.205 341 1HG1 ILE 20 2HG1 ILE 20 2.503 10.698 -2.813 342 2HG1 ILE 20 1HG1 ILE 20 1.032 9.719 -2.789 343 1HG2 ILE 20 1HG2 ILE 20 4.593 9.089 -3.892 344 2HG2 ILE 20 2HG2 ILE 20 3.987 10.586 -4.599 345 3HG2 ILE 20 3HG2 ILE 20 4.144 9.140 -5.596 346 1HD1 ILE 20 1HD1 ILE 20 3.559 8.295 -2.153 347 2HD1 ILE 20 2HD1 ILE 20 1.957 8.116 -1.439 348 3HD1 ILE 20 3HD1 ILE 20 2.998 9.453 -0.949 349 H MET 21 HN MET 21 1.382 7.266 -6.276 350 HA MET 21 HA MET 21 3.298 7.372 -8.331 351 1HB MET 21 2HB MET 21 1.544 5.470 -7.400 352 2HB MET 21 1HB MET 21 0.910 5.795 -9.017 353 1HG MET 21 2HG MET 21 3.820 5.187 -8.422 354 2HG MET 21 1HG MET 21 2.651 3.983 -8.971 355 1HE MET 21 1HE MET 21 2.220 4.182 -12.422 356 2HE MET 21 2HE MET 21 0.995 5.130 -11.582 357 3HE MET 21 3HE MET 21 1.670 3.696 -10.812 358 H ASN 22 HN ASN 22 0.078 8.723 -8.213 359 HA ASN 22 HA ASN 22 -0.243 9.031 -11.080 360 1HB ASN 22 2HB ASN 22 -1.808 9.510 -8.771 361 2HB ASN 22 1HB ASN 22 -1.639 11.069 -9.587 362 1HD2 ASN 22 1HD2 ASN 22 -4.165 10.262 -9.752 363 2HD2 ASN 22 2HD2 ASN 22 -4.537 9.519 -11.242 364 H SER 23 HN SER 23 0.414 11.467 -8.536 365 HA SER 23 HA SER 23 1.468 13.304 -10.585 366 1HB SER 23 2HB SER 23 1.367 13.683 -7.582 367 2HB SER 23 1HB SER 23 1.567 14.934 -8.804 368 HG SER 23 HG SER 23 -0.695 13.286 -8.328 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -7.639 15.124 2.914 2 2H GLY 1 2H GLY 1 -8.034 13.528 3.339 3 3H GLY 1 3H GLY 1 -9.250 14.602 2.836 4 1HA GLY 1 2HA GLY 1 -8.932 13.370 0.937 5 2HA GLY 1 1HA GLY 1 -7.874 14.758 0.670 6 H ILE 2 HN ILE 2 -5.675 14.267 2.141 7 HA ILE 2 HA ILE 2 -4.801 11.501 1.458 8 HB ILE 2 HB ILE 2 -2.522 12.962 0.980 9 1HG1 ILE 2 2HG1 ILE 2 -3.320 14.709 -0.699 10 2HG1 ILE 2 1HG1 ILE 2 -4.927 14.535 0.017 11 1HG2 ILE 2 1HG2 ILE 2 -2.868 12.356 -1.338 12 2HG2 ILE 2 2HG2 ILE 2 -4.612 12.245 -1.096 13 3HG2 ILE 2 3HG2 ILE 2 -3.540 11.071 -0.333 14 1HD1 ILE 2 1HD1 ILE 2 -3.902 16.369 1.157 15 2HD1 ILE 2 2HD1 ILE 2 -2.389 15.485 1.365 16 3HD1 ILE 2 3HD1 ILE 2 -3.824 15.005 2.272 17 H GLY 3 HN GLY 3 -5.007 11.151 3.767 18 1HA GLY 3 2HA GLY 3 -2.631 12.164 5.246 19 2HA GLY 3 1HA GLY 3 -4.220 12.249 6.016 20 H LYS 4 HN LYS 4 -2.468 9.830 4.105 21 HA LYS 4 HA LYS 4 -2.022 7.933 6.146 22 1HB LYS 4 2HB LYS 4 -4.579 7.953 6.171 23 2HB LYS 4 1HB LYS 4 -4.509 7.278 4.542 24 1HG LYS 4 2HG LYS 4 -3.408 5.307 5.293 25 2HG LYS 4 1HG LYS 4 -3.044 6.018 6.865 26 1HD LYS 4 2HD LYS 4 -5.813 6.226 6.680 27 2HD LYS 4 1HD LYS 4 -5.465 4.649 5.969 28 1HE LYS 4 HE2 LYS 4 -3.798 4.781 8.209 29 2HE LYS 4 HE1 LYS 4 -5.321 5.482 8.755 30 1HZ LYS 4 1HZ LYS 4 -5.565 3.093 7.136 31 2HZ LYS 4 2HZ LYS 4 -6.392 3.539 8.553 32 3HZ LYS 4 3HZ LYS 4 -4.837 2.859 8.649 33 H TYR 5 HN TYR 5 -3.233 8.212 2.814 34 HA TYR 5 HA TYR 5 -1.661 6.025 1.803 35 1HB TYR 5 2HB TYR 5 -2.609 8.310 0.113 36 2HB TYR 5 1HB TYR 5 -2.526 6.591 -0.263 37 HD1 TYR 5 HD1 TYR 5 -4.113 4.980 0.847 38 HD2 TYR 5 HD2 TYR 5 -4.567 9.245 1.107 39 HE1 TYR 5 HE1 TYR 5 -6.471 4.685 1.548 40 HE2 TYR 5 HE2 TYR 5 -6.928 8.949 1.810 41 HH TYR 5 HH TYR 5 -8.263 7.010 2.993 42 H LEU 6 HN LEU 6 -0.926 9.219 2.743 43 HA LEU 6 HA LEU 6 1.599 9.107 1.151 44 1HB LEU 6 2HB LEU 6 -0.134 11.369 2.093 45 2HB LEU 6 1HB LEU 6 1.587 11.648 1.848 46 HG LEU 6 HG LEU 6 -0.131 11.999 -0.132 47 1HD1 LEU 6 1HD1 LEU 6 2.332 12.256 -0.238 48 2HD1 LEU 6 2HD1 LEU 6 1.688 11.519 -1.703 49 3HD1 LEU 6 3HD1 LEU 6 2.489 10.518 -0.490 50 1HD2 LEU 6 1HD2 LEU 6 -0.449 10.045 -1.516 51 2HD2 LEU 6 2HD2 LEU 6 -1.002 9.630 0.104 52 3HD2 LEU 6 3HD2 LEU 6 0.571 9.066 -0.461 53 H HIS 7 HN HIS 7 0.422 8.540 4.205 54 HA HIS 7 HA HIS 7 3.102 9.121 5.375 55 1HB HIS 7 2HB HIS 7 0.673 9.395 7.104 56 2HB HIS 7 1HB HIS 7 2.244 10.182 7.250 57 HD1 HIS 7 HD1 HIS 7 2.751 12.066 5.355 58 HD2 HIS 7 HD2 HIS 7 -1.233 10.924 5.790 59 HE1 HIS 7 HE1 HIS 7 1.364 13.865 4.236 60 H SER 8 HN SER 8 1.182 6.733 4.476 61 HA SER 8 HA SER 8 2.252 4.915 6.503 62 1HB SER 8 2HB SER 8 -0.010 5.900 7.352 63 2HB SER 8 1HB SER 8 -0.735 4.858 6.131 64 HG SER 8 HG SER 8 -0.591 3.488 7.760 65 H ALA 9 HN ALA 9 0.186 5.383 3.664 66 HA ALA 9 HA ALA 9 0.127 2.635 2.864 67 1HB ALA 9 1HB ALA 9 -0.013 5.172 1.203 68 2HB ALA 9 2HB ALA 9 -1.375 4.231 1.824 69 3HB ALA 9 3HB ALA 9 -0.330 3.551 0.585 70 H LYS 10 HN LYS 10 2.068 5.275 1.442 71 HA LYS 10 HA LYS 10 3.825 4.047 -0.189 72 1HB LYS 10 2HB LYS 10 3.941 6.383 1.329 73 2HB LYS 10 1HB LYS 10 5.415 5.516 1.761 74 1HG LYS 10 2HG LYS 10 5.522 5.130 -0.878 75 2HG LYS 10 1HG LYS 10 4.571 6.615 -0.884 76 1HD LYS 10 2HD LYS 10 6.482 7.771 -0.603 77 2HD LYS 10 1HD LYS 10 6.629 7.039 0.995 78 1HE LYS 10 HE2 LYS 10 8.602 6.269 0.108 79 2HE LYS 10 HE1 LYS 10 7.545 4.991 -0.491 80 1HZ LYS 10 1HZ LYS 10 8.478 7.397 -1.948 81 2HZ LYS 10 2HZ LYS 10 7.226 6.397 -2.515 82 3HZ LYS 10 3HZ LYS 10 8.795 5.772 -2.320 83 H LYS 11 HN LYS 11 4.313 3.957 3.368 84 HA LYS 11 HA LYS 11 6.571 2.321 3.475 85 1HB LYS 11 2HB LYS 11 4.153 1.941 5.265 86 2HB LYS 11 1HB LYS 11 5.843 1.627 5.664 87 1HG LYS 11 2HG LYS 11 5.964 4.248 4.897 88 2HG LYS 11 1HG LYS 11 4.360 4.182 5.630 89 1HD LYS 11 2HD LYS 11 5.265 4.142 7.688 90 2HD LYS 11 1HD LYS 11 6.208 2.711 7.271 91 1HE LYS 11 HE2 LYS 11 7.715 4.469 5.991 92 2HE LYS 11 HE1 LYS 11 6.987 5.602 7.129 93 1HZ LYS 11 1HZ LYS 11 7.982 4.615 8.899 94 2HZ LYS 11 2HZ LYS 11 9.151 4.259 7.718 95 3HZ LYS 11 3HZ LYS 11 8.020 3.078 8.183 96 H PHE 12 HN PHE 12 3.250 1.013 3.778 97 HA PHE 12 HA PHE 12 4.054 -1.663 3.080 98 1HB PHE 12 2HB PHE 12 1.252 -0.693 2.595 99 2HB PHE 12 1HB PHE 12 1.800 -2.226 3.288 100 HD1 PHE 12 HD1 PHE 12 3.062 -2.071 5.569 101 HD2 PHE 12 HD2 PHE 12 0.519 1.018 4.018 102 HE1 PHE 12 HE1 PHE 12 2.807 -1.140 7.852 103 HE2 PHE 12 HE2 PHE 12 0.261 1.952 6.302 104 HZ PHE 12 HZ PHE 12 1.407 0.872 8.219 105 H GLY 13 HN GLY 13 2.714 1.062 1.256 106 1HA GLY 13 2HA GLY 13 2.111 -0.061 -1.198 107 2HA GLY 13 1HA GLY 13 2.901 1.508 -1.052 108 H LYS 14 HN LYS 14 5.303 0.412 0.218 109 HA LYS 14 HA LYS 14 6.573 -0.625 -2.255 110 1HB LYS 14 2HB LYS 14 7.450 0.954 0.078 111 2HB LYS 14 1HB LYS 14 8.613 -0.257 -0.460 112 1HG LYS 14 2HG LYS 14 7.884 0.767 -2.857 113 2HG LYS 14 1HG LYS 14 7.658 2.193 -1.841 114 1HD LYS 14 2HD LYS 14 9.920 2.191 -1.138 115 2HD LYS 14 1HD LYS 14 10.176 0.537 -1.692 116 1HE LYS 14 HE2 LYS 14 9.583 1.494 -4.048 117 2HE LYS 14 HE1 LYS 14 9.958 3.056 -3.319 118 1HZ LYS 14 1HZ LYS 14 12.140 2.482 -2.986 119 2HZ LYS 14 2HZ LYS 14 11.820 1.675 -4.446 120 3HZ LYS 14 3HZ LYS 14 11.829 0.815 -2.982 121 H ALA 15 HN ALA 15 5.478 -1.727 0.798 122 HA ALA 15 HA ALA 15 7.276 -4.096 0.665 123 1HB ALA 15 1HB ALA 15 6.247 -4.563 2.965 124 2HB ALA 15 2HB ALA 15 5.540 -2.951 2.859 125 3HB ALA 15 3HB ALA 15 7.293 -3.148 2.850 126 H TRP 16 HN TRP 16 3.813 -3.279 1.041 127 HA TRP 16 HA TRP 16 2.838 -5.931 0.906 128 1HB TRP 16 2HB TRP 16 0.721 -4.988 0.747 129 2HB TRP 16 1HB TRP 16 1.629 -3.644 1.431 130 HD1 TRP 16 HD1 TRP 16 1.404 -1.439 0.174 131 HE1 TRP 16 HE1 TRP 16 0.698 -0.739 -2.209 132 HE3 TRP 16 HE3 TRP 16 0.706 -6.014 -1.858 133 HZ2 TRP 16 HZ2 TRP 16 -0.068 -1.994 -4.679 134 HZ3 TRP 16 HZ3 TRP 16 -0.005 -6.259 -4.234 135 HH2 TRP 16 HH2 TRP 16 -0.395 -4.267 -5.641 136 H VAL 17 HN VAL 17 3.490 -3.607 -1.709 137 HA VAL 17 HA VAL 17 2.470 -5.207 -3.803 138 HB VAL 17 HB VAL 17 3.514 -2.756 -3.757 139 1HG1 VAL 17 1HG1 VAL 17 5.820 -3.397 -3.366 140 2HG1 VAL 17 2HG1 VAL 17 5.684 -2.771 -5.008 141 3HG1 VAL 17 3HG1 VAL 17 5.785 -4.510 -4.734 142 1HG2 VAL 17 1HG2 VAL 17 2.371 -4.321 -5.618 143 2HG2 VAL 17 2HG2 VAL 17 3.987 -4.204 -6.318 144 3HG2 VAL 17 3HG2 VAL 17 3.051 -2.740 -6.009 145 H GLY 18 HN GLY 18 5.819 -5.071 -2.543 146 1HA GLY 18 2HA GLY 18 6.877 -7.139 -4.161 147 2HA GLY 18 1HA GLY 18 7.480 -6.729 -2.553 148 H GLU 19 HN GLU 19 4.524 -7.277 -1.685 149 HA GLU 19 HA GLU 19 4.984 -10.124 -1.070 150 1HB GLU 19 2HB GLU 19 2.684 -8.341 -0.220 151 2HB GLU 19 1HB GLU 19 3.226 -9.839 0.554 152 1HG GLU 19 2HG GLU 19 5.311 -7.782 0.285 153 2HG GLU 19 1HG GLU 19 3.968 -7.323 1.334 154 H ILE 20 HN ILE 20 2.186 -8.191 -2.039 155 HA ILE 20 HA ILE 20 0.794 -10.439 -3.166 156 HB ILE 20 HB ILE 20 0.441 -7.476 -3.051 157 1HG1 ILE 20 2HG1 ILE 20 -1.284 -9.848 -2.317 158 2HG1 ILE 20 1HG1 ILE 20 -0.296 -8.887 -1.208 159 1HG2 ILE 20 1HG2 ILE 20 -1.598 -7.638 -4.445 160 2HG2 ILE 20 2HG2 ILE 20 -1.255 -9.339 -4.758 161 3HG2 ILE 20 3HG2 ILE 20 -0.173 -8.092 -5.382 162 1HD1 ILE 20 1HD1 ILE 20 -1.924 -7.344 -1.015 163 2HD1 ILE 20 2HD1 ILE 20 -2.970 -8.388 -1.978 164 3HD1 ILE 20 3HD1 ILE 20 -1.993 -7.149 -2.768 165 H MET 21 HN MET 21 2.405 -7.620 -4.639 166 HA MET 21 HA MET 21 1.959 -8.440 -7.329 167 1HB MET 21 2HB MET 21 3.182 -6.584 -7.912 168 2HB MET 21 1HB MET 21 2.852 -6.178 -6.225 169 1HG MET 21 2HG MET 21 5.119 -5.896 -6.147 170 2HG MET 21 1HG MET 21 5.107 -7.647 -5.917 171 1HE MET 21 1HE MET 21 7.792 -5.811 -7.803 172 2HE MET 21 2HE MET 21 6.379 -4.922 -7.236 173 3HE MET 21 3HE MET 21 6.720 -5.012 -8.962 174 H ASN 22 HN ASN 22 4.175 -9.575 -4.946 175 HA ASN 22 HA ASN 22 5.762 -10.987 -7.049 176 1HB ASN 22 2HB ASN 22 6.804 -9.481 -5.129 177 2HB ASN 22 1HB ASN 22 6.579 -10.945 -4.165 178 1HD2 ASN 22 1HD2 ASN 22 8.952 -11.232 -4.075 179 2HD2 ASN 22 2HD2 ASN 22 9.799 -11.820 -5.435 180 H SER 23 HN SER 23 3.084 -11.552 -5.376 181 HA SER 23 HA SER 23 3.637 -14.455 -5.214 182 1HB SER 23 2HB SER 23 4.079 -13.522 -2.934 183 2HB SER 23 1HB SER 23 2.425 -12.915 -2.898 184 HG SER 23 HG SER 23 1.725 -15.080 -3.161 185 1H GLY 1 1H GLY 1 6.257 -11.144 9.426 186 2H GLY 1 2H GLY 1 5.544 -11.795 10.826 187 3H GLY 1 3H GLY 1 4.849 -10.444 10.065 188 1HA GLY 1 2HA GLY 1 5.166 -12.920 8.521 189 2HA GLY 1 1HA GLY 1 3.855 -12.808 9.696 190 H ILE 2 HN ILE 2 2.870 -13.030 7.291 191 HA ILE 2 HA ILE 2 2.557 -10.342 6.068 192 HB ILE 2 HB ILE 2 1.454 -13.018 5.164 193 1HG1 ILE 2 2HG1 ILE 2 3.520 -12.027 3.468 194 2HG1 ILE 2 1HG1 ILE 2 4.131 -11.982 5.125 195 1HG2 ILE 2 1HG2 ILE 2 1.805 -11.286 2.999 196 2HG2 ILE 2 2HG2 ILE 2 1.137 -10.262 4.271 197 3HG2 ILE 2 3HG2 ILE 2 0.269 -11.709 3.757 198 1HD1 ILE 2 1HD1 ILE 2 3.565 -14.327 5.446 199 2HD1 ILE 2 2HD1 ILE 2 4.548 -14.175 3.991 200 3HD1 ILE 2 3HD1 ILE 2 2.804 -14.397 3.857 201 H GLY 3 HN GLY 3 1.263 -9.425 7.793 202 1HA GLY 3 2HA GLY 3 -1.586 -10.231 7.574 203 2HA GLY 3 1HA GLY 3 -0.882 -10.118 9.191 204 H LYS 4 HN LYS 4 -0.865 -8.179 6.213 205 HA LYS 4 HA LYS 4 -2.273 -5.941 7.195 206 1HB LYS 4 2HB LYS 4 -0.243 -5.872 8.762 207 2HB LYS 4 1HB LYS 4 0.716 -5.484 7.330 208 1HG LYS 4 2HG LYS 4 -0.179 -3.387 7.126 209 2HG LYS 4 1HG LYS 4 -1.760 -3.892 7.725 210 1HD LYS 4 2HD LYS 4 -0.530 -4.187 10.010 211 2HD LYS 4 1HD LYS 4 0.698 -3.144 9.294 212 1HE LYS 4 HE2 LYS 4 -0.908 -1.378 8.928 213 2HE LYS 4 HE1 LYS 4 -2.246 -2.430 9.390 214 1HZ LYS 4 1HZ LYS 4 -1.281 -2.591 11.613 215 2HZ LYS 4 2HZ LYS 4 -1.641 -0.982 11.206 216 3HZ LYS 4 3HZ LYS 4 -0.035 -1.534 11.160 217 H TYR 5 HN TYR 5 0.628 -6.859 5.375 218 HA TYR 5 HA TYR 5 0.148 -4.935 3.256 219 1HB TYR 5 2HB TYR 5 1.873 -7.350 2.897 220 2HB TYR 5 1HB TYR 5 2.122 -5.691 2.368 221 HD1 TYR 5 HD1 TYR 5 2.592 -8.065 5.094 222 HD2 TYR 5 HD2 TYR 5 2.828 -3.930 3.953 223 HE1 TYR 5 HE1 TYR 5 3.978 -7.591 7.094 224 HE2 TYR 5 HE2 TYR 5 4.215 -3.456 5.954 225 HH TYR 5 HH TYR 5 5.181 -6.070 8.177 226 H LEU 6 HN LEU 6 -1.033 -8.042 4.050 227 HA LEU 6 HA LEU 6 -2.039 -8.370 1.258 228 1HB LEU 6 2HB LEU 6 -1.311 -10.313 3.430 229 2HB LEU 6 1HB LEU 6 -2.499 -10.780 2.214 230 HG LEU 6 HG LEU 6 0.082 -11.239 1.829 231 1HD1 LEU 6 1HD1 LEU 6 -0.345 -11.136 -0.586 232 2HD1 LEU 6 2HD1 LEU 6 -1.726 -10.074 -0.304 233 3HD1 LEU 6 3HD1 LEU 6 -1.767 -11.740 0.264 234 1HD2 LEU 6 1HD2 LEU 6 1.192 -9.454 0.593 235 2HD2 LEU 6 2HD2 LEU 6 0.691 -8.824 2.162 236 3HD2 LEU 6 3HD2 LEU 6 -0.240 -8.429 0.717 237 H HIS 7 HN HIS 7 -3.074 -6.905 3.850 238 HA HIS 7 HA HIS 7 -5.866 -7.818 3.437 239 1HB HIS 7 2HB HIS 7 -4.883 -7.260 6.227 240 2HB HIS 7 1HB HIS 7 -6.328 -8.134 5.719 241 HD1 HIS 7 HD1 HIS 7 -5.605 -10.360 4.105 242 HD2 HIS 7 HD2 HIS 7 -2.912 -9.016 6.985 243 HE1 HIS 7 HE1 HIS 7 -4.002 -12.274 4.533 244 H SER 8 HN SER 8 -3.635 -5.321 4.602 245 HA SER 8 HA SER 8 -5.899 -3.390 4.328 246 1HB SER 8 2HB SER 8 -3.442 -2.870 5.997 247 2HB SER 8 1HB SER 8 -5.011 -2.073 6.079 248 HG SER 8 HG SER 8 -5.689 -4.428 6.548 249 H ALA 9 HN ALA 9 -2.517 -4.057 3.609 250 HA ALA 9 HA ALA 9 -1.866 -1.519 2.479 251 1HB ALA 9 1HB ALA 9 -0.152 -2.777 1.178 252 2HB ALA 9 2HB ALA 9 -0.861 -4.288 1.752 253 3HB ALA 9 3HB ALA 9 -0.124 -3.159 2.895 254 H LYS 10 HN LYS 10 -2.567 -4.501 0.646 255 HA LYS 10 HA LYS 10 -2.904 -3.647 -1.884 256 1HB LYS 10 2HB LYS 10 -4.551 -5.310 -2.269 257 2HB LYS 10 1HB LYS 10 -3.597 -5.912 -0.913 258 1HG LYS 10 2HG LYS 10 -5.271 -5.138 0.674 259 2HG LYS 10 1HG LYS 10 -6.199 -4.385 -0.625 260 1HD LYS 10 2HD LYS 10 -5.574 -7.346 -0.542 261 2HD LYS 10 1HD LYS 10 -7.056 -6.654 0.116 262 1HE LYS 10 HE2 LYS 10 -6.218 -6.031 -2.706 263 2HE LYS 10 HE1 LYS 10 -7.073 -7.529 -2.344 264 1HZ LYS 10 1HZ LYS 10 -8.934 -6.392 -1.620 265 2HZ LYS 10 2HZ LYS 10 -8.429 -5.452 -2.942 266 3HZ LYS 10 3HZ LYS 10 -8.092 -4.946 -1.356 267 H LYS 11 HN LYS 11 -5.257 -2.865 0.677 268 HA LYS 11 HA LYS 11 -7.156 -1.574 -1.032 269 1HB LYS 11 2HB LYS 11 -6.469 -0.922 1.855 270 2HB LYS 11 1HB LYS 11 -7.939 -0.436 1.009 271 1HG LYS 11 2HG LYS 11 -8.725 -2.667 0.860 272 2HG LYS 11 1HG LYS 11 -7.140 -3.337 1.246 273 1HD LYS 11 2HD LYS 11 -8.084 -3.536 3.330 274 2HD LYS 11 1HD LYS 11 -7.526 -1.869 3.468 275 1HE LYS 11 HE2 LYS 11 -10.076 -1.886 2.148 276 2HE LYS 11 HE1 LYS 11 -10.197 -2.823 3.637 277 1HZ LYS 11 1HZ LYS 11 -8.949 -0.138 3.523 278 2HZ LYS 11 2HZ LYS 11 -9.418 -1.012 4.902 279 3HZ LYS 11 3HZ LYS 11 -10.594 -0.370 3.857 280 H PHE 12 HN PHE 12 -4.743 -0.031 1.106 281 HA PHE 12 HA PHE 12 -4.914 2.497 -0.296 282 1HB PHE 12 2HB PHE 12 -2.516 1.730 1.342 283 2HB PHE 12 1HB PHE 12 -3.375 3.273 1.278 284 HD1 PHE 12 HD1 PHE 12 -6.156 2.539 1.690 285 HD2 PHE 12 HD2 PHE 12 -2.628 0.960 3.563 286 HE1 PHE 12 HE1 PHE 12 -7.503 1.869 3.661 287 HE2 PHE 12 HE2 PHE 12 -3.975 0.291 5.535 288 HZ PHE 12 HZ PHE 12 -6.413 0.746 5.584 289 H GLY 13 HN GLY 13 -2.915 -0.375 -0.498 290 1HA GLY 13 2HA GLY 13 -0.716 0.453 -1.978 291 2HA GLY 13 1HA GLY 13 -1.513 -1.095 -2.236 292 H LYS 14 HN LYS 14 -4.040 -0.059 -3.121 293 HA LYS 14 HA LYS 14 -3.217 0.687 -5.859 294 1HB LYS 14 2HB LYS 14 -5.826 -0.230 -4.647 295 2HB LYS 14 1HB LYS 14 -5.720 0.355 -6.308 296 1HG LYS 14 2HG LYS 14 -3.587 -1.458 -6.022 297 2HG LYS 14 1HG LYS 14 -4.964 -2.230 -5.237 298 1HD LYS 14 2HD LYS 14 -6.334 -1.876 -7.243 299 2HD LYS 14 1HD LYS 14 -4.986 -1.054 -8.032 300 1HE LYS 14 HE2 LYS 14 -4.799 -3.234 -8.866 301 2HE LYS 14 HE1 LYS 14 -3.671 -3.250 -7.510 302 1HZ LYS 14 1HZ LYS 14 -6.340 -3.878 -6.708 303 2HZ LYS 14 2HZ LYS 14 -4.901 -4.738 -6.440 304 3HZ LYS 14 3HZ LYS 14 -5.769 -4.959 -7.883 305 H ALA 15 HN ALA 15 -4.578 2.178 -3.060 306 HA ALA 15 HA ALA 15 -5.646 4.430 -4.652 307 1HB ALA 15 1HB ALA 15 -6.949 4.840 -2.851 308 2HB ALA 15 2HB ALA 15 -5.564 4.819 -1.759 309 3HB ALA 15 3HB ALA 15 -6.361 3.309 -2.201 310 H TRP 16 HN TRP 16 -3.350 4.032 -1.948 311 HA TRP 16 HA TRP 16 -2.240 6.585 -1.921 312 1HB TRP 16 2HB TRP 16 -0.607 5.693 -0.555 313 2HB TRP 16 1HB TRP 16 -1.807 4.409 -0.462 314 HD1 TRP 16 HD1 TRP 16 -0.949 2.074 -1.025 315 HE1 TRP 16 HE1 TRP 16 1.106 1.114 -2.249 316 HE3 TRP 16 HE3 TRP 16 1.142 6.383 -2.607 317 HZ2 TRP 16 HZ2 TRP 16 3.374 2.083 -3.719 318 HZ3 TRP 16 HZ3 TRP 16 3.269 6.370 -3.919 319 HH2 TRP 16 HH2 TRP 16 4.378 4.227 -4.475 320 H VAL 17 HN VAL 17 -1.245 3.815 -3.936 321 HA VAL 17 HA VAL 17 0.898 5.146 -5.223 322 HB VAL 17 HB VAL 17 -0.211 2.642 -5.399 323 1HG1 VAL 17 1HG1 VAL 17 -1.972 3.237 -6.938 324 2HG1 VAL 17 2HG1 VAL 17 -0.746 2.358 -7.850 325 3HG1 VAL 17 3HG1 VAL 17 -0.844 4.114 -7.972 326 1HG2 VAL 17 1HG2 VAL 17 1.997 4.131 -6.497 327 2HG2 VAL 17 2HG2 VAL 17 1.433 2.943 -7.674 328 3HG2 VAL 17 3HG2 VAL 17 1.922 2.424 -6.061 329 H GLY 18 HN GLY 18 -2.525 4.875 -6.270 330 1HA GLY 18 2HA GLY 18 -2.335 6.582 -8.510 331 2HA GLY 18 1HA GLY 18 -3.801 6.387 -7.543 332 H GLU 19 HN GLU 19 -2.011 7.325 -5.156 333 HA GLU 19 HA GLU 19 -2.630 10.188 -5.497 334 1HB GLU 19 2HB GLU 19 -1.305 8.857 -3.116 335 2HB GLU 19 1HB GLU 19 -2.208 10.377 -3.142 336 1HG GLU 19 2HG GLU 19 -3.206 7.562 -3.189 337 2HG GLU 19 1HG GLU 19 -3.776 8.925 -2.239 338 H ILE 20 HN ILE 20 0.135 8.411 -4.181 339 HA ILE 20 HA ILE 20 1.992 10.528 -4.754 340 HB ILE 20 HB ILE 20 2.169 7.664 -3.891 341 1HG1 ILE 20 2HG1 ILE 20 3.053 10.239 -2.574 342 2HG1 ILE 20 1HG1 ILE 20 1.479 9.475 -2.319 343 1HG2 ILE 20 1HG2 ILE 20 4.140 8.130 -5.350 344 2HG2 ILE 20 2HG2 ILE 20 4.609 7.906 -3.665 345 3HG2 ILE 20 3HG2 ILE 20 4.525 9.529 -4.349 346 1HD1 ILE 20 1HD1 ILE 20 4.187 8.591 -1.411 347 2HD1 ILE 20 2HD1 ILE 20 3.003 7.348 -1.810 348 3HD1 ILE 20 3HD1 ILE 20 2.646 8.536 -0.557 349 H MET 21 HN MET 21 1.428 7.330 -6.196 350 HA MET 21 HA MET 21 3.385 7.436 -8.214 351 1HB MET 21 2HB MET 21 1.412 5.673 -7.471 352 2HB MET 21 1HB MET 21 0.844 6.216 -9.055 353 1HG MET 21 2HG MET 21 3.317 5.824 -9.786 354 2HG MET 21 1HG MET 21 3.408 4.834 -8.325 355 1HE MET 21 1HE MET 21 2.138 3.835 -12.336 356 2HE MET 21 2HE MET 21 2.743 5.345 -11.660 357 3HE MET 21 3HE MET 21 1.006 5.086 -11.805 358 H ASN 22 HN ASN 22 0.462 9.258 -7.905 359 HA ASN 22 HA ASN 22 0.597 10.043 -10.780 360 1HB ASN 22 2HB ASN 22 -1.599 9.385 -9.397 361 2HB ASN 22 1HB ASN 22 -1.527 11.097 -8.966 362 1HD2 ASN 22 1HD2 ASN 22 -3.392 11.648 -10.303 363 2HD2 ASN 22 2HD2 ASN 22 -3.298 11.633 -12.007 364 H SER 23 HN SER 23 1.249 11.144 -7.564 365 HA SER 23 HA SER 23 1.495 13.962 -8.475 366 1HB SER 23 2HB SER 23 0.363 13.480 -6.302 367 2HB SER 23 1HB SER 23 1.864 12.779 -5.705 368 HG SER 23 HG SER 23 2.818 14.879 -6.275 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -10.507 13.658 4.258 2 2H GLY 1 2H GLY 1 -9.594 12.231 4.385 3 3H GLY 1 3H GLY 1 -10.229 12.705 2.882 4 1HA GLY 1 2HA GLY 1 -8.716 14.414 2.607 5 2HA GLY 1 1HA GLY 1 -8.351 14.457 4.332 6 H ILE 2 HN ILE 2 -6.348 14.218 2.313 7 HA ILE 2 HA ILE 2 -5.549 11.390 2.213 8 HB ILE 2 HB ILE 2 -5.006 12.708 0.276 9 1HG1 ILE 2 2HG1 ILE 2 -2.368 12.626 1.721 10 2HG1 ILE 2 1HG1 ILE 2 -3.229 11.122 1.386 11 1HG2 ILE 2 1HG2 ILE 2 -4.827 14.934 0.650 12 2HG2 ILE 2 2HG2 ILE 2 -3.139 14.604 1.042 13 3HG2 ILE 2 3HG2 ILE 2 -4.342 14.695 2.329 14 1HD1 ILE 2 1HD1 ILE 2 -3.391 12.476 -1.023 15 2HD1 ILE 2 2HD1 ILE 2 -2.239 11.195 -0.647 16 3HD1 ILE 2 3HD1 ILE 2 -1.775 12.885 -0.449 17 H GLY 3 HN GLY 3 -4.866 10.593 4.157 18 1HA GLY 3 2HA GLY 3 -2.521 11.872 5.410 19 2HA GLY 3 1HA GLY 3 -3.946 11.696 6.437 20 H LYS 4 HN LYS 4 -3.538 9.305 4.028 21 HA LYS 4 HA LYS 4 -2.233 7.430 5.946 22 1HB LYS 4 2HB LYS 4 -4.742 7.161 5.992 23 2HB LYS 4 1HB LYS 4 -4.672 6.765 4.272 24 1HG LYS 4 2HG LYS 4 -4.404 4.628 4.968 25 2HG LYS 4 1HG LYS 4 -2.744 5.108 5.317 26 1HD LYS 4 2HD LYS 4 -3.206 4.467 7.445 27 2HD LYS 4 1HD LYS 4 -4.079 5.997 7.554 28 1HE LYS 4 HE2 LYS 4 -6.141 4.844 6.767 29 2HE LYS 4 HE1 LYS 4 -5.259 3.317 6.765 30 1HZ LYS 4 1HZ LYS 4 -4.721 4.189 9.213 31 2HZ LYS 4 2HZ LYS 4 -6.055 3.201 8.849 32 3HZ LYS 4 3HZ LYS 4 -6.255 4.881 8.999 33 H TYR 5 HN TYR 5 -3.327 8.080 2.649 34 HA TYR 5 HA TYR 5 -1.757 6.035 1.384 35 1HB TYR 5 2HB TYR 5 -2.649 8.598 0.095 36 2HB TYR 5 1HB TYR 5 -2.488 7.000 -0.619 37 HD1 TYR 5 HD1 TYR 5 -4.783 9.310 0.648 38 HD2 TYR 5 HD2 TYR 5 -3.940 5.091 0.609 39 HE1 TYR 5 HE1 TYR 5 -7.151 8.832 1.199 40 HE2 TYR 5 HE2 TYR 5 -6.310 4.618 1.159 41 HH TYR 5 HH TYR 5 -8.583 5.935 0.789 42 H LEU 6 HN LEU 6 -1.089 9.258 2.500 43 HA LEU 6 HA LEU 6 1.570 9.144 1.141 44 1HB LEU 6 2HB LEU 6 -0.219 11.398 2.023 45 2HB LEU 6 1HB LEU 6 1.516 11.670 1.873 46 HG LEU 6 HG LEU 6 -0.087 12.092 -0.179 47 1HD1 LEU 6 1HD1 LEU 6 2.446 12.191 -0.052 48 2HD1 LEU 6 2HD1 LEU 6 1.791 11.765 -1.633 49 3HD1 LEU 6 3HD1 LEU 6 2.459 10.512 -0.584 50 1HD2 LEU 6 1HD2 LEU 6 -0.251 10.116 -1.649 51 2HD2 LEU 6 2HD2 LEU 6 -1.086 9.817 -0.124 52 3HD2 LEU 6 3HD2 LEU 6 0.510 9.118 -0.407 53 H HIS 7 HN HIS 7 0.544 7.969 3.788 54 HA HIS 7 HA HIS 7 2.889 8.844 5.356 55 1HB HIS 7 2HB HIS 7 0.296 8.823 6.844 56 2HB HIS 7 1HB HIS 7 1.750 9.782 7.134 57 HD1 HIS 7 HD1 HIS 7 1.770 12.124 6.182 58 HD2 HIS 7 HD2 HIS 7 -1.188 9.755 4.447 59 HE1 HIS 7 HE1 HIS 7 0.466 13.631 4.611 60 H SER 8 HN SER 8 0.217 6.582 4.859 61 HA SER 8 HA SER 8 1.795 4.622 6.454 62 1HB SER 8 2HB SER 8 -0.964 5.499 6.843 63 2HB SER 8 1HB SER 8 -0.841 3.755 6.642 64 HG SER 8 HG SER 8 1.075 4.169 8.197 65 H ALA 9 HN ALA 9 0.592 5.389 3.464 66 HA ALA 9 HA ALA 9 0.003 2.588 2.706 67 1HB ALA 9 1HB ALA 9 -0.402 3.576 0.448 68 2HB ALA 9 2HB ALA 9 -0.028 5.171 1.112 69 3HB ALA 9 3HB ALA 9 -1.428 4.265 1.702 70 H LYS 10 HN LYS 10 2.052 5.179 1.351 71 HA LYS 10 HA LYS 10 3.723 3.795 -0.304 72 1HB LYS 10 2HB LYS 10 3.950 6.199 1.188 73 2HB LYS 10 1HB LYS 10 5.467 5.319 1.381 74 1HG LYS 10 2HG LYS 10 5.072 4.947 -1.264 75 2HG LYS 10 1HG LYS 10 4.269 6.503 -1.064 76 1HD LYS 10 2HD LYS 10 7.103 5.850 -0.206 77 2HD LYS 10 1HD LYS 10 6.647 6.832 -1.599 78 1HE LYS 10 HE2 LYS 10 5.425 8.365 -0.003 79 2HE LYS 10 HE1 LYS 10 6.148 7.454 1.323 80 1HZ LYS 10 1HZ LYS 10 7.714 9.055 1.062 81 2HZ LYS 10 2HZ LYS 10 7.402 9.269 -0.594 82 3HZ LYS 10 3HZ LYS 10 8.315 7.937 -0.064 83 H LYS 11 HN LYS 11 4.128 3.823 3.259 84 HA LYS 11 HA LYS 11 6.453 2.256 3.429 85 1HB LYS 11 2HB LYS 11 3.996 2.158 5.211 86 2HB LYS 11 1HB LYS 11 5.569 1.476 5.628 87 1HG LYS 11 2HG LYS 11 6.585 3.584 5.787 88 2HG LYS 11 1HG LYS 11 5.343 4.363 4.809 89 1HD LYS 11 2HD LYS 11 4.547 5.049 6.836 90 2HD LYS 11 1HD LYS 11 3.828 3.438 6.868 91 1HE LYS 11 HE2 LYS 11 5.176 2.766 8.553 92 2HE LYS 11 HE1 LYS 11 6.610 3.424 7.765 93 1HZ LYS 11 1HZ LYS 11 6.407 5.397 8.828 94 2HZ LYS 11 2HZ LYS 11 5.644 4.425 9.995 95 3HZ LYS 11 3HZ LYS 11 4.714 5.331 8.898 96 H PHE 12 HN PHE 12 3.146 0.912 3.762 97 HA PHE 12 HA PHE 12 4.072 -1.772 3.190 98 1HB PHE 12 2HB PHE 12 1.213 -0.840 2.891 99 2HB PHE 12 1HB PHE 12 1.805 -2.427 3.401 100 HD1 PHE 12 HD1 PHE 12 -0.146 -0.349 4.824 101 HD2 PHE 12 HD2 PHE 12 3.999 -1.388 5.273 102 HE1 PHE 12 HE1 PHE 12 -0.219 0.379 7.194 103 HE2 PHE 12 HE2 PHE 12 3.925 -0.659 7.642 104 HZ PHE 12 HZ PHE 12 1.817 0.223 8.603 105 H GLY 13 HN GLY 13 3.064 0.947 1.302 106 1HA GLY 13 2HA GLY 13 2.145 -0.253 -1.071 107 2HA GLY 13 1HA GLY 13 3.048 1.259 -1.022 108 H LYS 14 HN LYS 14 5.430 0.126 0.164 109 HA LYS 14 HA LYS 14 6.548 -1.072 -2.296 110 1HB LYS 14 2HB LYS 14 7.786 0.019 0.242 111 2HB LYS 14 1HB LYS 14 8.736 -0.773 -1.019 112 1HG LYS 14 2HG LYS 14 7.634 0.884 -2.651 113 2HG LYS 14 1HG LYS 14 7.129 1.777 -1.216 114 1HD LYS 14 2HD LYS 14 9.155 2.767 -1.237 115 2HD LYS 14 1HD LYS 14 9.835 1.206 -0.774 116 1HE LYS 14 HE2 LYS 14 10.049 0.590 -3.154 117 2HE LYS 14 HE1 LYS 14 9.373 2.153 -3.619 118 1HZ LYS 14 1HZ LYS 14 12.016 1.585 -3.160 119 2HZ LYS 14 2HZ LYS 14 11.527 2.448 -1.781 120 3HZ LYS 14 3HZ LYS 14 11.328 3.127 -3.327 121 H ALA 15 HN ALA 15 5.757 -1.999 0.996 122 HA ALA 15 HA ALA 15 7.240 -4.544 0.716 123 1HB ALA 15 1HB ALA 15 6.896 -3.055 2.889 124 2HB ALA 15 2HB ALA 15 6.966 -4.814 2.998 125 3HB ALA 15 3HB ALA 15 5.406 -3.991 3.014 126 H TRP 16 HN TRP 16 3.861 -3.475 1.187 127 HA TRP 16 HA TRP 16 2.687 -6.054 1.064 128 1HB TRP 16 2HB TRP 16 0.691 -4.933 1.135 129 2HB TRP 16 1HB TRP 16 1.734 -3.584 1.565 130 HD1 TRP 16 HD1 TRP 16 1.355 -1.494 0.162 131 HE1 TRP 16 HE1 TRP 16 0.423 -0.987 -2.186 132 HE3 TRP 16 HE3 TRP 16 0.439 -6.216 -1.411 133 HZ2 TRP 16 HZ2 TRP 16 -0.596 -2.425 -4.449 134 HZ3 TRP 16 HZ3 TRP 16 -0.512 -6.642 -3.654 135 HH2 TRP 16 HH2 TRP 16 -1.036 -4.760 -5.181 136 H VAL 17 HN VAL 17 3.419 -3.722 -1.540 137 HA VAL 17 HA VAL 17 2.291 -5.410 -3.583 138 HB VAL 17 HB VAL 17 3.120 -2.819 -3.542 139 1HG1 VAL 17 1HG1 VAL 17 5.043 -2.660 -5.156 140 2HG1 VAL 17 2HG1 VAL 17 5.319 -4.386 -4.919 141 3HG1 VAL 17 3HG1 VAL 17 5.493 -3.271 -3.565 142 1HG2 VAL 17 1HG2 VAL 17 1.819 -4.452 -5.265 143 2HG2 VAL 17 2HG2 VAL 17 3.268 -4.100 -6.212 144 3HG2 VAL 17 3HG2 VAL 17 2.240 -2.782 -5.649 145 H GLY 18 HN GLY 18 5.678 -4.831 -2.563 146 1HA GLY 18 2HA GLY 18 6.885 -6.767 -4.233 147 2HA GLY 18 1HA GLY 18 7.503 -6.319 -2.638 148 H GLU 19 HN GLU 19 4.663 -7.131 -1.650 149 HA GLU 19 HA GLU 19 5.363 -9.907 -1.048 150 1HB GLU 19 2HB GLU 19 4.513 -8.824 0.855 151 2HB GLU 19 1HB GLU 19 3.357 -7.881 -0.090 152 1HG GLU 19 2HG GLU 19 2.374 -9.751 1.336 153 2HG GLU 19 1HG GLU 19 1.908 -9.731 -0.365 154 H ILE 20 HN ILE 20 2.242 -8.410 -1.909 155 HA ILE 20 HA ILE 20 1.354 -10.825 -3.199 156 HB ILE 20 HB ILE 20 0.324 -8.004 -3.218 157 1HG1 ILE 20 2HG1 ILE 20 -0.856 -10.491 -1.977 158 2HG1 ILE 20 1HG1 ILE 20 0.248 -9.418 -1.111 159 1HG2 ILE 20 1HG2 ILE 20 -0.697 -10.482 -4.592 160 2HG2 ILE 20 2HG2 ILE 20 -0.522 -8.853 -5.248 161 3HG2 ILE 20 3HG2 ILE 20 -1.808 -9.205 -4.094 162 1HD1 ILE 20 1HD1 ILE 20 -2.587 -9.056 -1.713 163 2HD1 ILE 20 2HD1 ILE 20 -1.613 -7.680 -2.236 164 3HD1 ILE 20 3HD1 ILE 20 -1.571 -8.200 -0.550 165 H MET 21 HN MET 21 2.421 -7.669 -4.440 166 HA MET 21 HA MET 21 2.092 -8.135 -7.181 167 1HB MET 21 2HB MET 21 3.214 -6.144 -5.657 168 2HB MET 21 1HB MET 21 4.623 -6.791 -6.510 169 1HG MET 21 2HG MET 21 2.668 -6.696 -8.475 170 2HG MET 21 1HG MET 21 2.374 -5.229 -7.535 171 1HE MET 21 1HE MET 21 5.617 -6.124 -10.496 172 2HE MET 21 2HE MET 21 3.925 -6.605 -10.406 173 3HE MET 21 3HE MET 21 5.112 -7.385 -9.363 174 H ASN 22 HN ASN 22 4.371 -9.595 -4.984 175 HA ASN 22 HA ASN 22 5.931 -10.677 -7.283 176 1HB ASN 22 2HB ASN 22 6.429 -10.523 -4.312 177 2HB ASN 22 1HB ASN 22 7.350 -11.634 -5.330 178 1HD2 ASN 22 1HD2 ASN 22 6.278 -8.178 -5.533 179 2HD2 ASN 22 2HD2 ASN 22 7.785 -7.599 -6.084 180 H SER 23 HN SER 23 3.589 -11.561 -4.872 181 HA SER 23 HA SER 23 3.926 -14.322 -4.618 182 1HB SER 23 2HB SER 23 2.141 -13.130 -3.449 183 2HB SER 23 1HB SER 23 1.339 -12.779 -4.978 184 HG SER 23 HG SER 23 1.792 -15.317 -3.784 185 1H GLY 1 1H GLY 1 5.690 -12.815 9.207 186 2H GLY 1 2H GLY 1 7.032 -11.821 9.515 187 3H GLY 1 3H GLY 1 6.202 -11.698 8.037 188 1HA GLY 1 2HA GLY 1 4.729 -11.241 10.535 189 2HA GLY 1 1HA GLY 1 5.779 -9.967 9.913 190 H ILE 2 HN ILE 2 3.065 -12.077 9.019 191 HA ILE 2 HA ILE 2 2.315 -10.058 6.939 192 HB ILE 2 HB ILE 2 1.249 -12.877 7.064 193 1HG1 ILE 2 2HG1 ILE 2 3.099 -13.216 5.224 194 2HG1 ILE 2 1HG1 ILE 2 3.907 -11.886 6.061 195 1HG2 ILE 2 1HG2 ILE 2 1.137 -10.567 5.251 196 2HG2 ILE 2 2HG2 ILE 2 0.055 -11.956 5.369 197 3HG2 ILE 2 3HG2 ILE 2 1.549 -12.077 4.437 198 1HD1 ILE 2 1HD1 ILE 2 2.823 -14.139 7.707 199 2HD1 ILE 2 2HD1 ILE 2 4.234 -13.120 7.993 200 3HD1 ILE 2 3HD1 ILE 2 4.309 -14.413 6.797 201 H GLY 3 HN GLY 3 -0.200 -10.134 6.600 202 1HA GLY 3 2HA GLY 3 -2.369 -10.494 7.736 203 2HA GLY 3 1HA GLY 3 -1.531 -10.272 9.273 204 H LYS 4 HN LYS 4 -0.387 -8.169 6.886 205 HA LYS 4 HA LYS 4 -2.319 -6.033 7.643 206 1HB LYS 4 2HB LYS 4 -0.126 -4.545 7.659 207 2HB LYS 4 1HB LYS 4 -0.630 -5.413 9.110 208 1HG LYS 4 2HG LYS 4 0.845 -7.332 8.339 209 2HG LYS 4 1HG LYS 4 1.484 -6.242 7.109 210 1HD LYS 4 2HD LYS 4 2.993 -6.046 8.935 211 2HD LYS 4 1HD LYS 4 1.968 -4.614 9.039 212 1HE LYS 4 HE2 LYS 4 0.703 -6.766 10.461 213 2HE LYS 4 HE1 LYS 4 2.368 -6.609 11.024 214 1HZ LYS 4 1HZ LYS 4 0.881 -5.165 12.261 215 2HZ LYS 4 2HZ LYS 4 0.390 -4.402 10.826 216 3HZ LYS 4 3HZ LYS 4 1.992 -4.248 11.367 217 H TYR 5 HN TYR 5 0.440 -6.959 5.591 218 HA TYR 5 HA TYR 5 -0.144 -5.009 3.553 219 1HB TYR 5 2HB TYR 5 1.372 -7.565 3.107 220 2HB TYR 5 1HB TYR 5 1.620 -5.985 2.372 221 HD1 TYR 5 HD1 TYR 5 2.371 -8.122 5.214 222 HD2 TYR 5 HD2 TYR 5 2.559 -4.096 3.728 223 HE1 TYR 5 HE1 TYR 5 4.012 -7.543 6.982 224 HE2 TYR 5 HE2 TYR 5 4.197 -3.519 5.496 225 HH TYR 5 HH TYR 5 4.927 -5.711 8.106 226 H LEU 6 HN LEU 6 -1.539 -8.009 4.421 227 HA LEU 6 HA LEU 6 -2.719 -8.225 1.686 228 1HB LEU 6 2HB LEU 6 -2.168 -10.253 3.846 229 2HB LEU 6 1HB LEU 6 -3.383 -10.574 2.613 230 HG LEU 6 HG LEU 6 -0.896 -11.328 2.219 231 1HD1 LEU 6 1HD1 LEU 6 -2.512 -9.831 0.139 232 2HD1 LEU 6 2HD1 LEU 6 -2.725 -11.521 0.588 233 3HD1 LEU 6 3HD1 LEU 6 -1.240 -11.001 -0.207 234 1HD2 LEU 6 1HD2 LEU 6 -0.788 -8.469 1.204 235 2HD2 LEU 6 2HD2 LEU 6 0.506 -9.668 1.157 236 3HD2 LEU 6 3HD2 LEU 6 -0.020 -8.997 2.702 237 H HIS 7 HN HIS 7 -3.455 -6.852 4.542 238 HA HIS 7 HA HIS 7 -6.363 -7.338 4.109 239 1HB HIS 7 2HB HIS 7 -5.206 -7.137 6.889 240 2HB HIS 7 1HB HIS 7 -6.814 -7.681 6.409 241 HD1 HIS 7 HD1 HIS 7 -6.255 -9.752 4.307 242 HD2 HIS 7 HD2 HIS 7 -3.932 -9.421 7.752 243 HE1 HIS 7 HE1 HIS 7 -5.135 -12.000 4.634 244 H SER 8 HN SER 8 -4.170 -5.099 3.802 245 HA SER 8 HA SER 8 -6.000 -2.928 4.335 246 1HB SER 8 2HB SER 8 -4.484 -3.722 6.544 247 2HB SER 8 1HB SER 8 -3.623 -2.324 5.904 248 HG SER 8 HG SER 8 -6.363 -2.514 6.634 249 H ALA 9 HN ALA 9 -2.689 -3.962 3.654 250 HA ALA 9 HA ALA 9 -1.802 -1.461 2.569 251 1HB ALA 9 1HB ALA 9 -0.231 -3.269 3.121 252 2HB ALA 9 2HB ALA 9 -0.074 -2.786 1.439 253 3HB ALA 9 3HB ALA 9 -0.924 -4.282 1.846 254 H LYS 10 HN LYS 10 -2.689 -4.428 0.787 255 HA LYS 10 HA LYS 10 -2.828 -3.609 -1.796 256 1HB LYS 10 2HB LYS 10 -4.453 -5.441 -0.187 257 2HB LYS 10 1HB LYS 10 -5.321 -4.797 -1.581 258 1HG LYS 10 2HG LYS 10 -2.980 -5.361 -2.776 259 2HG LYS 10 1HG LYS 10 -2.932 -6.571 -1.492 260 1HD LYS 10 2HD LYS 10 -4.042 -7.624 -3.328 261 2HD LYS 10 1HD LYS 10 -5.311 -7.198 -2.180 262 1HE LYS 10 HE2 LYS 10 -6.089 -6.512 -4.346 263 2HE LYS 10 HE1 LYS 10 -5.623 -5.044 -3.487 264 1HZ LYS 10 1HZ LYS 10 -4.795 -5.458 -5.897 265 2HZ LYS 10 2HZ LYS 10 -3.632 -6.438 -5.138 266 3HZ LYS 10 3HZ LYS 10 -3.745 -4.788 -4.747 267 H LYS 11 HN LYS 11 -5.407 -2.855 0.572 268 HA LYS 11 HA LYS 11 -7.079 -1.363 -1.141 269 1HB LYS 11 2HB LYS 11 -6.476 -1.183 1.807 270 2HB LYS 11 1HB LYS 11 -7.559 -0.017 1.045 271 1HG LYS 11 2HG LYS 11 -7.972 -2.949 0.545 272 2HG LYS 11 1HG LYS 11 -8.543 -2.242 2.056 273 1HD LYS 11 2HD LYS 11 -10.335 -1.391 0.999 274 2HD LYS 11 1HD LYS 11 -9.277 -0.493 -0.090 275 1HE LYS 11 HE2 LYS 11 -10.566 -1.881 -1.520 276 2HE LYS 11 HE1 LYS 11 -9.011 -2.702 -1.380 277 1HZ LYS 11 1HZ LYS 11 -9.879 -4.330 -0.066 278 2HZ LYS 11 2HZ LYS 11 -11.244 -3.980 -1.015 279 3HZ LYS 11 3HZ LYS 11 -11.113 -3.346 0.556 280 H PHE 12 HN PHE 12 -4.675 0.057 1.113 281 HA PHE 12 HA PHE 12 -4.661 2.603 -0.194 282 1HB PHE 12 2HB PHE 12 -2.311 1.478 1.335 283 2HB PHE 12 1HB PHE 12 -2.861 3.154 1.240 284 HD1 PHE 12 HD1 PHE 12 -2.455 0.979 3.647 285 HD2 PHE 12 HD2 PHE 12 -5.788 2.806 1.644 286 HE1 PHE 12 HE1 PHE 12 -3.856 0.636 5.666 287 HE2 PHE 12 HE2 PHE 12 -7.188 2.464 3.662 288 HZ PHE 12 HZ PHE 12 -6.223 1.380 5.672 289 H GLY 13 HN GLY 13 -2.909 -0.397 -0.733 290 1HA GLY 13 2HA GLY 13 -0.739 0.459 -2.277 291 2HA GLY 13 1HA GLY 13 -1.623 -1.034 -2.603 292 H LYS 14 HN LYS 14 -4.135 0.092 -3.230 293 HA LYS 14 HA LYS 14 -3.510 1.228 -5.905 294 1HB LYS 14 2HB LYS 14 -6.145 0.206 -4.809 295 2HB LYS 14 1HB LYS 14 -5.790 0.600 -6.491 296 1HG LYS 14 2HG LYS 14 -4.121 -1.432 -5.024 297 2HG LYS 14 1HG LYS 14 -5.661 -1.898 -5.747 298 1HD LYS 14 2HD LYS 14 -3.368 -0.565 -7.218 299 2HD LYS 14 1HD LYS 14 -3.784 -2.276 -7.314 300 1HE LYS 14 HE2 LYS 14 -6.199 -1.120 -7.864 301 2HE LYS 14 HE1 LYS 14 -5.091 0.054 -8.574 302 1HZ LYS 14 1HZ LYS 14 -4.430 -1.387 -10.144 303 2HZ LYS 14 2HZ LYS 14 -5.907 -2.160 -9.815 304 3HZ LYS 14 3HZ LYS 14 -4.471 -2.726 -9.105 305 H ALA 15 HN ALA 15 -4.545 2.218 -2.822 306 HA ALA 15 HA ALA 15 -5.989 4.567 -3.941 307 1HB ALA 15 1HB ALA 15 -6.903 3.074 -2.009 308 2HB ALA 15 2HB ALA 15 -7.016 4.826 -1.840 309 3HB ALA 15 3HB ALA 15 -5.740 3.940 -1.005 310 H TRP 16 HN TRP 16 -2.915 3.705 -2.950 311 HA TRP 16 HA TRP 16 -2.278 6.469 -2.061 312 1HB TRP 16 2HB TRP 16 -0.575 5.632 -0.729 313 2HB TRP 16 1HB TRP 16 -1.729 4.306 -0.644 314 HD1 TRP 16 HD1 TRP 16 -0.774 2.009 -1.216 315 HE1 TRP 16 HE1 TRP 16 1.277 1.132 -2.511 316 HE3 TRP 16 HE3 TRP 16 1.133 6.411 -2.864 317 HZ2 TRP 16 HZ2 TRP 16 3.457 2.184 -4.056 318 HZ3 TRP 16 HZ3 TRP 16 3.191 6.461 -4.251 319 HH2 TRP 16 HH2 TRP 16 4.356 4.366 -4.851 320 H VAL 17 HN VAL 17 -1.160 3.832 -4.176 321 HA VAL 17 HA VAL 17 0.962 5.296 -5.365 322 HB VAL 17 HB VAL 17 0.175 2.761 -5.613 323 1HG1 VAL 17 1HG1 VAL 17 -0.704 2.410 -7.941 324 2HG1 VAL 17 2HG1 VAL 17 -1.018 4.142 -8.034 325 3HG1 VAL 17 3HG1 VAL 17 -1.870 3.152 -6.847 326 1HG2 VAL 17 1HG2 VAL 17 2.204 4.235 -6.577 327 2HG2 VAL 17 2HG2 VAL 17 1.393 3.857 -8.098 328 3HG2 VAL 17 3HG2 VAL 17 1.953 2.554 -7.050 329 H GLY 18 HN GLY 18 -2.423 4.905 -6.468 330 1HA GLY 18 2HA GLY 18 -2.302 6.650 -8.682 331 2HA GLY 18 1HA GLY 18 -3.756 6.382 -7.717 332 H GLU 19 HN GLU 19 -2.033 7.324 -5.321 333 HA GLU 19 HA GLU 19 -2.746 10.164 -5.589 334 1HB GLU 19 2HB GLU 19 -1.428 8.776 -3.242 335 2HB GLU 19 1HB GLU 19 -2.372 10.274 -3.221 336 1HG GLU 19 2HG GLU 19 -3.563 7.645 -4.100 337 2HG GLU 19 1HG GLU 19 -3.546 8.141 -2.408 338 H ILE 20 HN ILE 20 0.065 8.435 -4.307 339 HA ILE 20 HA ILE 20 1.835 10.653 -4.732 340 HB ILE 20 HB ILE 20 2.075 7.791 -3.928 341 1HG1 ILE 20 2HG1 ILE 20 3.055 10.385 -2.726 342 2HG1 ILE 20 1HG1 ILE 20 1.529 9.589 -2.328 343 1HG2 ILE 20 1HG2 ILE 20 3.988 7.994 -5.405 344 2HG2 ILE 20 2HG2 ILE 20 4.584 8.143 -3.749 345 3HG2 ILE 20 3HG2 ILE 20 4.387 9.584 -4.748 346 1HD1 ILE 20 1HD1 ILE 20 3.697 9.155 -0.859 347 2HD1 ILE 20 2HD1 ILE 20 4.059 8.001 -2.140 348 3HD1 ILE 20 3HD1 ILE 20 2.569 7.845 -1.208 349 H MET 21 HN MET 21 1.503 7.516 -6.386 350 HA MET 21 HA MET 21 3.503 7.983 -8.330 351 1HB MET 21 2HB MET 21 2.802 6.007 -9.281 352 2HB MET 21 1HB MET 21 2.045 5.857 -7.692 353 1HG MET 21 2HG MET 21 0.155 5.479 -8.902 354 2HG MET 21 1HG MET 21 0.121 7.240 -9.034 355 1HE MET 21 1HE MET 21 -1.146 5.979 -12.335 356 2HE MET 21 2HE MET 21 -0.898 7.643 -11.816 357 3HE MET 21 3HE MET 21 -1.475 6.445 -10.660 358 H ASN 22 HN ASN 22 0.229 9.177 -8.109 359 HA ASN 22 HA ASN 22 0.321 10.154 -10.914 360 1HB ASN 22 2HB ASN 22 -1.759 9.079 -9.791 361 2HB ASN 22 1HB ASN 22 -1.931 10.630 -8.962 362 1HD2 ASN 22 1HD2 ASN 22 -3.405 11.922 -10.062 363 2HD2 ASN 22 2HD2 ASN 22 -3.545 12.023 -11.760 364 H SER 23 HN SER 23 -0.062 11.418 -7.594 365 HA SER 23 HA SER 23 -0.145 14.171 -8.283 366 1HB SER 23 2HB SER 23 -0.575 13.126 -5.996 367 2HB SER 23 1HB SER 23 1.174 13.052 -5.799 368 HG SER 23 HG SER 23 -0.002 15.457 -6.624 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -8.352 12.715 5.295 2 2H GLY 1 2H GLY 1 -9.022 11.390 4.469 3 3H GLY 1 3H GLY 1 -9.933 12.807 4.687 4 1HA GLY 1 2HA GLY 1 -9.116 12.681 2.425 5 2HA GLY 1 1HA GLY 1 -8.394 14.040 3.285 6 H ILE 2 HN ILE 2 -6.362 14.159 2.385 7 HA ILE 2 HA ILE 2 -4.812 11.708 1.888 8 HB ILE 2 HB ILE 2 -4.000 14.620 1.620 9 1HG1 ILE 2 2HG1 ILE 2 -4.437 13.105 -0.834 10 2HG1 ILE 2 1HG1 ILE 2 -5.903 13.189 0.149 11 1HG2 ILE 2 1HG2 ILE 2 -2.619 12.059 1.258 12 2HG2 ILE 2 2HG2 ILE 2 -1.953 13.688 1.364 13 3HG2 ILE 2 3HG2 ILE 2 -2.558 13.082 -0.177 14 1HD1 ILE 2 1HD1 ILE 2 -6.178 15.391 -0.282 15 2HD1 ILE 2 2HD1 ILE 2 -4.964 15.187 -1.545 16 3HD1 ILE 2 3HD1 ILE 2 -4.483 15.742 0.058 17 H GLY 3 HN GLY 3 -4.581 10.935 4.075 18 1HA GLY 3 2HA GLY 3 -2.307 12.163 5.471 19 2HA GLY 3 1HA GLY 3 -3.815 12.136 6.390 20 H LYS 4 HN LYS 4 -3.041 9.630 4.100 21 HA LYS 4 HA LYS 4 -2.080 7.814 6.224 22 1HB LYS 4 2HB LYS 4 -3.901 6.180 4.956 23 2HB LYS 4 1HB LYS 4 -4.160 6.944 6.522 24 1HG LYS 4 2HG LYS 4 -4.769 8.611 4.137 25 2HG LYS 4 1HG LYS 4 -5.856 7.257 4.441 26 1HD LYS 4 2HD LYS 4 -5.091 9.331 6.515 27 2HD LYS 4 1HD LYS 4 -6.585 9.361 5.580 28 1HE LYS 4 HE2 LYS 4 -7.481 8.072 7.205 29 2HE LYS 4 HE1 LYS 4 -6.478 6.763 6.581 30 1HZ LYS 4 1HZ LYS 4 -4.984 6.987 8.240 31 2HZ LYS 4 2HZ LYS 4 -6.329 7.608 9.073 32 3HZ LYS 4 3HZ LYS 4 -5.195 8.664 8.376 33 H TYR 5 HN TYR 5 -2.972 8.277 2.817 34 HA TYR 5 HA TYR 5 -1.401 6.084 1.821 35 1HB TYR 5 2HB TYR 5 -2.053 8.603 0.304 36 2HB TYR 5 1HB TYR 5 -1.843 6.968 -0.316 37 HD1 TYR 5 HD1 TYR 5 -3.562 5.183 0.240 38 HD2 TYR 5 HD2 TYR 5 -4.150 9.346 1.149 39 HE1 TYR 5 HE1 TYR 5 -5.993 4.784 0.524 40 HE2 TYR 5 HE2 TYR 5 -6.577 8.940 1.438 41 HH TYR 5 HH TYR 5 -8.018 5.799 0.706 42 H LEU 6 HN LEU 6 -0.670 9.309 2.870 43 HA LEU 6 HA LEU 6 2.056 9.067 1.687 44 1HB LEU 6 2HB LEU 6 0.330 11.387 2.506 45 2HB LEU 6 1HB LEU 6 2.083 11.579 2.468 46 HG LEU 6 HG LEU 6 0.733 12.145 0.321 47 1HD1 LEU 6 1HD1 LEU 6 3.000 10.169 0.005 48 2HD1 LEU 6 2HD1 LEU 6 3.253 11.816 0.582 49 3HD1 LEU 6 3HD1 LEU 6 2.605 11.537 -1.035 50 1HD2 LEU 6 1HD2 LEU 6 -0.607 10.048 0.346 51 2HD2 LEU 6 2HD2 LEU 6 0.873 9.120 0.100 52 3HD2 LEU 6 3HD2 LEU 6 0.309 10.228 -1.151 53 H HIS 7 HN HIS 7 0.592 8.213 4.446 54 HA HIS 7 HA HIS 7 3.051 8.755 6.024 55 1HB HIS 7 2HB HIS 7 0.328 9.019 7.291 56 2HB HIS 7 1HB HIS 7 1.885 9.576 7.906 57 HD1 HIS 7 HD1 HIS 7 3.027 11.199 5.683 58 HD2 HIS 7 HD2 HIS 7 -1.041 11.301 6.583 59 HE1 HIS 7 HE1 HIS 7 2.140 13.377 4.742 60 H SER 8 HN SER 8 1.339 6.439 4.699 61 HA SER 8 HA SER 8 2.167 4.463 6.638 62 1HB SER 8 2HB SER 8 0.288 4.463 7.902 63 2HB SER 8 1HB SER 8 -0.561 5.500 6.760 64 HG SER 8 HG SER 8 -1.562 3.777 6.128 65 H ALA 9 HN ALA 9 0.248 5.218 3.772 66 HA ALA 9 HA ALA 9 0.074 2.558 2.754 67 1HB ALA 9 1HB ALA 9 0.052 3.740 0.498 68 2HB ALA 9 2HB ALA 9 0.208 5.252 1.383 69 3HB ALA 9 3HB ALA 9 -1.208 4.223 1.626 70 H LYS 10 HN LYS 10 2.211 5.082 1.494 71 HA LYS 10 HA LYS 10 4.036 3.762 0.007 72 1HB LYS 10 2HB LYS 10 4.177 6.087 1.683 73 2HB LYS 10 1HB LYS 10 5.696 5.198 1.803 74 1HG LYS 10 2HG LYS 10 6.246 5.572 -0.385 75 2HG LYS 10 1HG LYS 10 4.570 5.472 -0.929 76 1HD LYS 10 2HD LYS 10 5.524 7.779 -1.129 77 2HD LYS 10 1HD LYS 10 4.112 7.704 -0.074 78 1HE LYS 10 HE2 LYS 10 5.429 7.840 1.889 79 2HE LYS 10 HE1 LYS 10 6.914 7.452 1.018 80 1HZ LYS 10 1HZ LYS 10 5.911 9.961 1.570 81 2HZ LYS 10 2HZ LYS 10 5.665 9.739 -0.096 82 3HZ LYS 10 3HZ LYS 10 7.223 9.585 0.563 83 H LYS 11 HN LYS 11 4.376 3.843 3.584 84 HA LYS 11 HA LYS 11 6.576 2.162 3.874 85 1HB LYS 11 2HB LYS 11 4.098 1.812 5.574 86 2HB LYS 11 1HB LYS 11 5.785 1.638 6.060 87 1HG LYS 11 2HG LYS 11 5.681 4.233 5.093 88 2HG LYS 11 1HG LYS 11 4.130 4.050 5.917 89 1HD LYS 11 2HD LYS 11 5.417 3.093 7.887 90 2HD LYS 11 1HD LYS 11 6.893 3.615 7.075 91 1HE LYS 11 HE2 LYS 11 5.528 5.914 6.914 92 2HE LYS 11 HE1 LYS 11 4.750 5.251 8.352 93 1HZ LYS 11 1HZ LYS 11 6.525 6.262 9.310 94 2HZ LYS 11 2HZ LYS 11 7.525 6.076 7.949 95 3HZ LYS 11 3HZ LYS 11 7.240 4.759 8.983 96 H PHE 12 HN PHE 12 3.208 0.949 4.033 97 HA PHE 12 HA PHE 12 3.993 -1.770 3.515 98 1HB PHE 12 2HB PHE 12 1.264 -0.639 2.884 99 2HB PHE 12 1HB PHE 12 1.678 -2.259 3.453 100 HD1 PHE 12 HD1 PHE 12 3.267 -2.049 5.737 101 HD2 PHE 12 HD2 PHE 12 0.155 0.633 4.486 102 HE1 PHE 12 HE1 PHE 12 2.962 -1.308 8.083 103 HE2 PHE 12 HE2 PHE 12 -0.150 1.375 6.833 104 HZ PHE 12 HZ PHE 12 1.255 0.405 8.631 105 H GLY 13 HN GLY 13 3.151 0.974 1.498 106 1HA GLY 13 2HA GLY 13 2.518 -0.159 -0.950 107 2HA GLY 13 1HA GLY 13 3.547 1.265 -0.808 108 H LYS 14 HN LYS 14 5.697 0.027 0.594 109 HA LYS 14 HA LYS 14 6.913 -1.453 -1.671 110 1HB LYS 14 2HB LYS 14 8.041 -0.165 0.823 111 2HB LYS 14 1HB LYS 14 9.019 -1.156 -0.260 112 1HG LYS 14 2HG LYS 14 7.777 0.515 -2.039 113 2HG LYS 14 1HG LYS 14 7.971 1.576 -0.645 114 1HD LYS 14 2HD LYS 14 10.327 1.298 -0.621 115 2HD LYS 14 1HD LYS 14 10.251 -0.110 -1.680 116 1HE LYS 14 HE2 LYS 14 9.213 1.506 -3.418 117 2HE LYS 14 HE1 LYS 14 9.836 2.793 -2.386 118 1HZ LYS 14 1HZ LYS 14 11.252 1.621 -4.317 119 2HZ LYS 14 2HZ LYS 14 11.708 0.664 -2.988 120 3HZ LYS 14 3HZ LYS 14 11.947 2.345 -2.950 121 H ALA 15 HN ALA 15 5.595 -2.035 1.473 122 HA ALA 15 HA ALA 15 7.005 -4.650 1.625 123 1HB ALA 15 1HB ALA 15 5.489 -2.992 3.635 124 2HB ALA 15 2HB ALA 15 7.158 -3.557 3.711 125 3HB ALA 15 3HB ALA 15 5.830 -4.697 3.933 126 H TRP 16 HN TRP 16 4.277 -3.497 0.241 127 HA TRP 16 HA TRP 16 2.787 -6.031 0.785 128 1HB TRP 16 2HB TRP 16 0.795 -4.897 0.917 129 2HB TRP 16 1HB TRP 16 1.853 -3.621 1.495 130 HD1 TRP 16 HD1 TRP 16 1.580 -1.402 0.299 131 HE1 TRP 16 HE1 TRP 16 0.665 -0.627 -1.980 132 HE3 TRP 16 HE3 TRP 16 0.477 -5.916 -1.756 133 HZ2 TRP 16 HZ2 TRP 16 -0.409 -1.780 -4.371 134 HZ3 TRP 16 HZ3 TRP 16 -0.496 -6.059 -4.038 135 HH2 TRP 16 HH2 TRP 16 -0.939 -4.002 -5.344 136 H VAL 17 HN VAL 17 3.397 -3.489 -1.653 137 HA VAL 17 HA VAL 17 2.275 -4.938 -3.843 138 HB VAL 17 HB VAL 17 3.464 -2.444 -3.498 139 1HG1 VAL 17 1HG1 VAL 17 5.706 -3.236 -3.929 140 2HG1 VAL 17 2HG1 VAL 17 5.156 -2.378 -5.369 141 3HG1 VAL 17 3HG1 VAL 17 5.166 -4.142 -5.344 142 1HG2 VAL 17 1HG2 VAL 17 3.139 -2.853 -6.269 143 2HG2 VAL 17 2HG2 VAL 17 1.952 -2.201 -5.139 144 3HG2 VAL 17 3HG2 VAL 17 1.986 -3.931 -5.482 145 H GLY 18 HN GLY 18 5.659 -4.715 -2.693 146 1HA GLY 18 2HA GLY 18 6.769 -6.574 -4.528 147 2HA GLY 18 1HA GLY 18 7.413 -6.264 -2.913 148 H GLU 19 HN GLU 19 4.526 -7.028 -1.985 149 HA GLU 19 HA GLU 19 5.135 -9.893 -1.634 150 1HB GLU 19 2HB GLU 19 2.715 -8.448 -0.556 151 2HB GLU 19 1HB GLU 19 3.574 -9.833 0.137 152 1HG GLU 19 2HG GLU 19 4.551 -6.970 -0.013 153 2HG GLU 19 1HG GLU 19 4.134 -7.875 1.442 154 H ILE 20 HN ILE 20 2.176 -8.033 -2.292 155 HA ILE 20 HA ILE 20 0.918 -10.261 -3.633 156 HB ILE 20 HB ILE 20 0.294 -7.349 -3.268 157 1HG1 ILE 20 2HG1 ILE 20 -1.189 -9.843 -2.422 158 2HG1 ILE 20 1HG1 ILE 20 0.011 -9.019 -1.419 159 1HG2 ILE 20 1HG2 ILE 20 -1.092 -9.368 -5.027 160 2HG2 ILE 20 2HG2 ILE 20 -0.690 -7.689 -5.386 161 3HG2 ILE 20 3HG2 ILE 20 -2.005 -8.061 -4.272 162 1HD1 ILE 20 1HD1 ILE 20 -2.686 -8.439 -1.444 163 2HD1 ILE 20 2HD1 ILE 20 -2.028 -7.215 -2.530 164 3HD1 ILE 20 3HD1 ILE 20 -1.423 -7.347 -0.879 165 H MET 21 HN MET 21 2.293 -7.175 -4.754 166 HA MET 21 HA MET 21 1.798 -7.550 -7.523 167 1HB MET 21 2HB MET 21 3.008 -5.618 -5.942 168 2HB MET 21 1HB MET 21 4.334 -6.210 -6.952 169 1HG MET 21 2HG MET 21 1.627 -5.348 -8.011 170 2HG MET 21 1HG MET 21 3.062 -4.316 -7.992 171 1HE MET 21 1HE MET 21 4.171 -4.788 -11.394 172 2HE MET 21 2HE MET 21 4.370 -3.974 -9.844 173 3HE MET 21 3HE MET 21 2.795 -3.981 -10.631 174 H ASN 22 HN ASN 22 4.025 -9.134 -5.419 175 HA ASN 22 HA ASN 22 5.599 -10.129 -7.751 176 1HB ASN 22 2HB ASN 22 6.118 -10.338 -4.769 177 2HB ASN 22 1HB ASN 22 7.162 -11.013 -6.023 178 1HD2 ASN 22 1HD2 ASN 22 8.643 -9.322 -4.712 179 2HD2 ASN 22 2HD2 ASN 22 8.713 -7.762 -5.401 180 H SER 23 HN SER 23 3.521 -11.143 -5.087 181 HA SER 23 HA SER 23 3.823 -13.936 -5.233 182 1HB SER 23 2HB SER 23 1.753 -14.087 -4.118 183 2HB SER 23 1HB SER 23 2.341 -12.490 -3.662 184 HG SER 23 HG SER 23 0.190 -12.384 -4.368 185 1H GLY 1 1H GLY 1 7.424 -11.749 8.241 186 2H GLY 1 2H GLY 1 7.006 -11.010 6.769 187 3H GLY 1 3H GLY 1 6.549 -12.617 7.077 188 1HA GLY 1 2HA GLY 1 4.936 -12.017 8.621 189 2HA GLY 1 1HA GLY 1 5.629 -10.404 8.804 190 H ILE 2 HN ILE 2 2.935 -11.655 7.730 191 HA ILE 2 HA ILE 2 2.627 -9.607 5.623 192 HB ILE 2 HB ILE 2 1.458 -11.370 4.171 193 1HG1 ILE 2 2HG1 ILE 2 2.998 -13.133 6.098 194 2HG1 ILE 2 1HG1 ILE 2 1.263 -13.168 5.771 195 1HG2 ILE 2 1HG2 ILE 2 3.627 -10.396 3.571 196 2HG2 ILE 2 2HG2 ILE 2 3.622 -12.120 3.196 197 3HG2 ILE 2 3HG2 ILE 2 4.452 -11.534 4.638 198 1HD1 ILE 2 1HD1 ILE 2 1.633 -14.659 4.129 199 2HD1 ILE 2 2HD1 ILE 2 3.374 -14.544 4.384 200 3HD1 ILE 2 3HD1 ILE 2 2.572 -13.439 3.267 201 H GLY 3 HN GLY 3 1.363 -8.850 7.607 202 1HA GLY 3 2HA GLY 3 -1.365 -10.083 7.565 203 2HA GLY 3 1HA GLY 3 -0.643 -9.469 9.053 204 H LYS 4 HN LYS 4 0.536 -7.228 7.231 205 HA LYS 4 HA LYS 4 -1.982 -5.613 7.130 206 1HB LYS 4 2HB LYS 4 0.322 -3.916 7.295 207 2HB LYS 4 1HB LYS 4 -1.005 -4.068 8.444 208 1HG LYS 4 2HG LYS 4 0.246 -6.204 9.256 209 2HG LYS 4 1HG LYS 4 1.635 -5.520 8.410 210 1HD LYS 4 2HD LYS 4 1.966 -4.512 10.448 211 2HD LYS 4 1HD LYS 4 0.851 -3.330 9.761 212 1HE LYS 4 HE2 LYS 4 -0.975 -4.980 10.766 213 2HE LYS 4 HE1 LYS 4 0.351 -5.420 11.841 214 1HZ LYS 4 1HZ LYS 4 -0.887 -2.761 11.457 215 2HZ LYS 4 2HZ LYS 4 0.635 -2.946 12.190 216 3HZ LYS 4 3HZ LYS 4 -0.740 -3.655 12.891 217 H TYR 5 HN TYR 5 0.588 -6.923 5.368 218 HA TYR 5 HA TYR 5 0.489 -4.857 3.273 219 1HB TYR 5 2HB TYR 5 2.079 -7.396 3.112 220 2HB TYR 5 1HB TYR 5 2.435 -5.809 2.431 221 HD1 TYR 5 HD1 TYR 5 3.502 -4.078 3.712 222 HD2 TYR 5 HD2 TYR 5 2.367 -7.786 5.554 223 HE1 TYR 5 HE1 TYR 5 4.836 -3.490 5.719 224 HE2 TYR 5 HE2 TYR 5 3.700 -7.201 7.560 225 HH TYR 5 HH TYR 5 4.934 -5.652 8.556 226 H LEU 6 HN LEU 6 -0.913 -7.879 4.077 227 HA LEU 6 HA LEU 6 -1.874 -8.163 1.262 228 1HB LEU 6 2HB LEU 6 -1.260 -10.151 3.428 229 2HB LEU 6 1HB LEU 6 -2.460 -10.553 2.203 230 HG LEU 6 HG LEU 6 0.106 -11.124 1.851 231 1HD1 LEU 6 1HD1 LEU 6 -1.656 -9.921 -0.303 232 2HD1 LEU 6 2HD1 LEU 6 -1.726 -11.589 0.264 233 3HD1 LEU 6 3HD1 LEU 6 -0.293 -11.005 -0.582 234 1HD2 LEU 6 1HD2 LEU 6 0.771 -8.700 2.156 235 2HD2 LEU 6 2HD2 LEU 6 -0.091 -8.337 0.660 236 3HD2 LEU 6 3HD2 LEU 6 1.313 -9.408 0.634 237 H HIS 7 HN HIS 7 -2.876 -6.637 3.796 238 HA HIS 7 HA HIS 7 -5.703 -7.328 3.331 239 1HB HIS 7 2HB HIS 7 -4.940 -7.177 6.212 240 2HB HIS 7 1HB HIS 7 -6.209 -8.126 5.432 241 HD1 HIS 7 HD1 HIS 7 -5.677 -10.554 5.026 242 HD2 HIS 7 HD2 HIS 7 -2.230 -8.285 5.601 243 HE1 HIS 7 HE1 HIS 7 -3.728 -12.177 4.984 244 H SER 8 HN SER 8 -3.282 -5.187 4.780 245 HA SER 8 HA SER 8 -5.392 -3.071 4.797 246 1HB SER 8 2HB SER 8 -3.228 -3.712 6.746 247 2HB SER 8 1HB SER 8 -3.590 -2.010 6.469 248 HG SER 8 HG SER 8 -4.864 -3.007 8.144 249 H ALA 9 HN ALA 9 -2.633 -4.139 3.264 250 HA ALA 9 HA ALA 9 -1.657 -1.406 2.645 251 1HB ALA 9 1HB ALA 9 0.029 -3.116 3.134 252 2HB ALA 9 2HB ALA 9 0.162 -2.594 1.461 253 3HB ALA 9 3HB ALA 9 -0.605 -4.137 1.841 254 H LYS 10 HN LYS 10 -2.497 -4.365 0.818 255 HA LYS 10 HA LYS 10 -2.642 -3.402 -1.748 256 1HB LYS 10 2HB LYS 10 -4.490 -4.970 -2.181 257 2HB LYS 10 1HB LYS 10 -3.268 -5.712 -1.147 258 1HG LYS 10 2HG LYS 10 -5.009 -6.221 0.214 259 2HG LYS 10 1HG LYS 10 -4.930 -4.527 0.697 260 1HD LYS 10 2HD LYS 10 -7.137 -4.592 0.046 261 2HD LYS 10 1HD LYS 10 -6.412 -4.246 -1.524 262 1HE LYS 10 HE2 LYS 10 -7.199 -6.968 -0.451 263 2HE LYS 10 HE1 LYS 10 -7.957 -6.100 -1.786 264 1HZ LYS 10 1HZ LYS 10 -5.773 -6.170 -2.927 265 2HZ LYS 10 2HZ LYS 10 -6.466 -7.703 -2.687 266 3HZ LYS 10 3HZ LYS 10 -5.195 -7.176 -1.691 267 H LYS 11 HN LYS 11 -4.953 -2.679 0.839 268 HA LYS 11 HA LYS 11 -6.942 -1.412 -0.762 269 1HB LYS 11 2HB LYS 11 -6.066 -0.587 2.026 270 2HB LYS 11 1HB LYS 11 -7.635 -0.281 1.280 271 1HG LYS 11 2HG LYS 11 -7.057 -3.093 1.130 272 2HG LYS 11 1HG LYS 11 -6.856 -2.551 2.796 273 1HD LYS 11 2HD LYS 11 -9.087 -2.464 3.048 274 2HD LYS 11 1HD LYS 11 -9.196 -1.298 1.729 275 1HE LYS 11 HE2 LYS 11 -9.213 -3.160 0.095 276 2HE LYS 11 HE1 LYS 11 -9.146 -4.316 1.427 277 1HZ LYS 11 1HZ LYS 11 -11.237 -3.497 2.242 278 2HZ LYS 11 2HZ LYS 11 -11.414 -3.928 0.607 279 3HZ LYS 11 3HZ LYS 11 -11.286 -2.292 1.049 280 H PHE 12 HN PHE 12 -4.444 0.250 1.202 281 HA PHE 12 HA PHE 12 -4.676 2.689 -0.315 282 1HB PHE 12 2HB PHE 12 -2.194 1.893 1.206 283 2HB PHE 12 1HB PHE 12 -2.900 3.500 1.008 284 HD1 PHE 12 HD1 PHE 12 -2.512 0.828 3.246 285 HD2 PHE 12 HD2 PHE 12 -5.429 3.680 1.906 286 HE1 PHE 12 HE1 PHE 12 -3.770 0.540 5.365 287 HE2 PHE 12 HE2 PHE 12 -6.688 3.391 4.022 288 HZ PHE 12 HZ PHE 12 -5.856 1.821 5.753 289 H GLY 13 HN GLY 13 -3.026 -0.307 -0.768 290 1HA GLY 13 2HA GLY 13 -0.815 0.406 -2.338 291 2HA GLY 13 1HA GLY 13 -1.756 -1.064 -2.595 292 H LYS 14 HN LYS 14 -4.232 0.239 -3.199 293 HA LYS 14 HA LYS 14 -3.629 1.021 -5.983 294 1HB LYS 14 2HB LYS 14 -6.097 0.185 -4.478 295 2HB LYS 14 1HB LYS 14 -6.252 1.014 -6.029 296 1HG LYS 14 2HG LYS 14 -4.439 -1.375 -5.698 297 2HG LYS 14 1HG LYS 14 -6.150 -1.563 -6.083 298 1HD LYS 14 2HD LYS 14 -5.695 -1.151 -8.245 299 2HD LYS 14 1HD LYS 14 -5.111 0.454 -7.803 300 1HE LYS 14 HE2 LYS 14 -2.901 -0.658 -7.187 301 2HE LYS 14 HE1 LYS 14 -3.514 -2.108 -7.982 302 1HZ LYS 14 1HZ LYS 14 -2.991 -1.248 -9.935 303 2HZ LYS 14 2HZ LYS 14 -2.322 0.109 -9.163 304 3HZ LYS 14 3HZ LYS 14 -3.951 0.118 -9.643 305 H ALA 15 HN ALA 15 -5.229 2.379 -3.096 306 HA ALA 15 HA ALA 15 -5.890 4.874 -4.447 307 1HB ALA 15 1HB ALA 15 -6.163 5.596 -1.920 308 2HB ALA 15 2HB ALA 15 -6.038 3.860 -1.628 309 3HB ALA 15 3HB ALA 15 -7.324 4.491 -2.658 310 H TRP 16 HN TRP 16 -3.394 3.890 -2.090 311 HA TRP 16 HA TRP 16 -2.174 6.452 -1.873 312 1HB TRP 16 2HB TRP 16 -0.687 5.417 -0.500 313 2HB TRP 16 1HB TRP 16 -1.843 4.096 -0.584 314 HD1 TRP 16 HD1 TRP 16 -0.746 1.864 -1.100 315 HE1 TRP 16 HE1 TRP 16 1.329 1.066 -2.401 316 HE3 TRP 16 HE3 TRP 16 1.019 6.338 -2.695 317 HZ2 TRP 16 HZ2 TRP 16 3.479 2.201 -3.924 318 HZ3 TRP 16 HZ3 TRP 16 3.074 6.468 -4.065 319 HH2 TRP 16 HH2 TRP 16 4.315 4.416 -4.683 320 H VAL 17 HN VAL 17 -1.312 3.667 -3.957 321 HA VAL 17 HA VAL 17 0.819 5.082 -5.232 322 HB VAL 17 HB VAL 17 0.059 2.496 -5.250 323 1HG1 VAL 17 1HG1 VAL 17 -0.665 1.932 -7.588 324 2HG1 VAL 17 2HG1 VAL 17 -0.984 3.645 -7.852 325 3HG1 VAL 17 3HG1 VAL 17 -1.901 2.755 -6.639 326 1HG2 VAL 17 1HG2 VAL 17 2.009 2.264 -6.372 327 2HG2 VAL 17 2HG2 VAL 17 2.077 4.027 -6.342 328 3HG2 VAL 17 3HG2 VAL 17 1.422 3.192 -7.752 329 H GLY 18 HN GLY 18 -2.535 4.484 -6.353 330 1HA GLY 18 2HA GLY 18 -2.415 6.005 -8.720 331 2HA GLY 18 1HA GLY 18 -3.875 5.830 -7.741 332 H GLU 19 HN GLU 19 -2.167 6.998 -5.445 333 HA GLU 19 HA GLU 19 -2.900 9.789 -5.940 334 1HB GLU 19 2HB GLU 19 -3.462 9.157 -3.753 335 2HB GLU 19 1HB GLU 19 -2.048 8.109 -3.600 336 1HG GLU 19 2HG GLU 19 -1.920 10.209 -2.220 337 2HG GLU 19 1HG GLU 19 -0.579 9.990 -3.344 338 H ILE 20 HN ILE 20 -0.030 8.290 -4.477 339 HA ILE 20 HA ILE 20 1.661 10.485 -5.190 340 HB ILE 20 HB ILE 20 1.992 7.763 -4.050 341 1HG1 ILE 20 2HG1 ILE 20 3.032 10.459 -3.187 342 2HG1 ILE 20 1HG1 ILE 20 1.446 9.824 -2.743 343 1HG2 ILE 20 1HG2 ILE 20 3.858 7.952 -5.696 344 2HG2 ILE 20 2HG2 ILE 20 4.441 7.965 -4.030 345 3HG2 ILE 20 3HG2 ILE 20 4.340 9.472 -4.939 346 1HD1 ILE 20 1HD1 ILE 20 3.927 9.318 -1.463 347 2HD1 ILE 20 2HD1 ILE 20 3.437 7.814 -2.243 348 3HD1 ILE 20 3HD1 ILE 20 2.358 8.602 -1.092 349 H MET 21 HN MET 21 1.399 7.195 -6.529 350 HA MET 21 HA MET 21 3.390 7.540 -8.524 351 1HB MET 21 2HB MET 21 2.746 5.455 -9.276 352 2HB MET 21 1HB MET 21 2.043 5.432 -7.656 353 1HG MET 21 2HG MET 21 0.132 4.871 -8.762 354 2HG MET 21 1HG MET 21 0.027 6.607 -9.064 355 1HE MET 21 1HE MET 21 1.475 3.127 -11.107 356 2HE MET 21 2HE MET 21 -0.159 3.323 -11.737 357 3HE MET 21 3HE MET 21 0.115 3.342 -9.996 358 H ASN 22 HN ASN 22 0.182 8.800 -8.327 359 HA ASN 22 HA ASN 22 -0.353 9.090 -11.138 360 1HB ASN 22 2HB ASN 22 -1.529 9.979 -8.629 361 2HB ASN 22 1HB ASN 22 -1.571 11.259 -9.848 362 1HD2 ASN 22 1HD2 ASN 22 -4.034 10.692 -9.637 363 2HD2 ASN 22 2HD2 ASN 22 -4.616 9.467 -10.671 364 H SER 23 HN SER 23 0.780 11.543 -8.772 365 HA SER 23 HA SER 23 1.462 13.459 -10.804 366 1HB SER 23 2HB SER 23 1.099 13.838 -8.268 367 2HB SER 23 1HB SER 23 2.774 13.326 -8.088 368 HG SER 23 HG SER 23 1.851 15.703 -8.793 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -9.224 11.435 4.974 2 2H GLY 1 2H GLY 1 -8.881 13.099 4.962 3 3H GLY 1 3H GLY 1 -7.664 11.981 5.359 4 1HA GLY 1 2HA GLY 1 -8.127 11.027 3.016 5 2HA GLY 1 1HA GLY 1 -8.814 12.627 2.730 6 H ILE 2 HN ILE 2 -6.201 11.189 1.881 7 HA ILE 2 HA ILE 2 -3.983 11.834 1.469 8 HB ILE 2 HB ILE 2 -5.177 14.557 2.072 9 1HG1 ILE 2 2HG1 ILE 2 -4.503 13.441 -0.644 10 2HG1 ILE 2 1HG1 ILE 2 -6.044 13.039 0.124 11 1HG2 ILE 2 1HG2 ILE 2 -3.082 15.354 1.899 12 2HG2 ILE 2 2HG2 ILE 2 -3.002 14.707 0.260 13 3HG2 ILE 2 3HG2 ILE 2 -2.455 13.729 1.622 14 1HD1 ILE 2 1HD1 ILE 2 -6.683 14.967 -0.966 15 2HD1 ILE 2 2HD1 ILE 2 -5.064 15.664 -0.906 16 3HD1 ILE 2 3HD1 ILE 2 -6.086 15.684 0.531 17 H GLY 3 HN GLY 3 -4.528 10.892 4.074 18 1HA GLY 3 2HA GLY 3 -2.337 12.228 5.532 19 2HA GLY 3 1HA GLY 3 -3.902 12.180 6.354 20 H LYS 4 HN LYS 4 -3.154 9.602 4.223 21 HA LYS 4 HA LYS 4 -2.121 7.878 6.399 22 1HB LYS 4 2HB LYS 4 -4.103 6.398 4.905 23 2HB LYS 4 1HB LYS 4 -4.006 6.659 6.645 24 1HG LYS 4 2HG LYS 4 -5.097 8.889 6.327 25 2HG LYS 4 1HG LYS 4 -5.295 8.508 4.615 26 1HD LYS 4 2HD LYS 4 -7.274 7.589 5.224 27 2HD LYS 4 1HD LYS 4 -6.306 6.253 5.848 28 1HE LYS 4 HE2 LYS 4 -6.301 7.162 8.058 29 2HE LYS 4 HE1 LYS 4 -6.935 8.709 7.498 30 1HZ LYS 4 1HZ LYS 4 -8.905 7.305 6.684 31 2HZ LYS 4 2HZ LYS 4 -8.789 7.650 8.343 32 3HZ LYS 4 3HZ LYS 4 -8.329 6.124 7.755 33 H TYR 5 HN TYR 5 -3.051 8.225 2.989 34 HA TYR 5 HA TYR 5 -1.492 6.030 2.001 35 1HB TYR 5 2HB TYR 5 -2.035 8.550 0.456 36 2HB TYR 5 1HB TYR 5 -1.940 6.888 -0.123 37 HD1 TYR 5 HD1 TYR 5 -4.093 9.466 1.194 38 HD2 TYR 5 HD2 TYR 5 -3.745 5.225 0.579 39 HE1 TYR 5 HE1 TYR 5 -6.542 9.221 1.492 40 HE2 TYR 5 HE2 TYR 5 -6.194 4.983 0.878 41 HH TYR 5 HH TYR 5 -8.324 7.518 0.728 42 H LEU 6 HN LEU 6 -0.680 9.200 3.118 43 HA LEU 6 HA LEU 6 2.023 8.918 1.900 44 1HB LEU 6 2HB LEU 6 0.507 11.294 3.010 45 2HB LEU 6 1HB LEU 6 2.223 11.365 2.602 46 HG LEU 6 HG LEU 6 0.812 12.154 0.732 47 1HD1 LEU 6 1HD1 LEU 6 2.048 9.469 0.093 48 2HD1 LEU 6 2HD1 LEU 6 2.997 10.929 0.374 49 3HD1 LEU 6 3HD1 LEU 6 1.881 10.852 -0.989 50 1HD2 LEU 6 1HD2 LEU 6 -0.899 10.913 -0.194 51 2HD2 LEU 6 2HD2 LEU 6 -0.999 10.331 1.467 52 3HD2 LEU 6 3HD2 LEU 6 -0.159 9.373 0.246 53 H HIS 7 HN HIS 7 0.544 8.040 4.668 54 HA HIS 7 HA HIS 7 3.043 8.467 6.231 55 1HB HIS 7 2HB HIS 7 0.332 8.662 7.534 56 2HB HIS 7 1HB HIS 7 1.892 9.197 8.160 57 HD1 HIS 7 HD1 HIS 7 2.949 10.816 5.795 58 HD2 HIS 7 HD2 HIS 7 -0.987 11.072 7.141 59 HE1 HIS 7 HE1 HIS 7 2.068 13.057 5.009 60 H SER 8 HN SER 8 1.235 6.213 4.848 61 HA SER 8 HA SER 8 2.124 4.155 6.694 62 1HB SER 8 2HB SER 8 -0.228 5.187 7.472 63 2HB SER 8 1HB SER 8 -0.824 4.045 6.271 64 HG SER 8 HG SER 8 0.550 3.599 8.672 65 H ALA 9 HN ALA 9 0.182 5.023 3.873 66 HA ALA 9 HA ALA 9 0.036 2.383 2.764 67 1HB ALA 9 1HB ALA 9 -1.328 4.227 1.881 68 2HB ALA 9 2HB ALA 9 -0.329 3.534 0.611 69 3HB ALA 9 3HB ALA 9 0.130 5.074 1.344 70 H LYS 10 HN LYS 10 2.064 5.061 1.640 71 HA LYS 10 HA LYS 10 3.879 3.951 -0.006 72 1HB LYS 10 2HB LYS 10 4.672 5.610 2.403 73 2HB LYS 10 1HB LYS 10 5.666 5.358 0.970 74 1HG LYS 10 2HG LYS 10 4.143 6.544 -0.423 75 2HG LYS 10 1HG LYS 10 2.877 6.511 0.805 76 1HD LYS 10 2HD LYS 10 4.044 8.730 0.635 77 2HD LYS 10 1HD LYS 10 4.144 8.002 2.237 78 1HE LYS 10 HE2 LYS 10 6.391 7.836 2.122 79 2HE LYS 10 HE1 LYS 10 6.324 7.127 0.509 80 1HZ LYS 10 1HZ LYS 10 6.701 9.091 -0.451 81 2HZ LYS 10 2HZ LYS 10 7.236 9.601 1.079 82 3HZ LYS 10 3HZ LYS 10 5.643 9.922 0.583 83 H LYS 11 HN LYS 11 4.393 3.700 3.545 84 HA LYS 11 HA LYS 11 6.613 2.041 3.579 85 1HB LYS 11 2HB LYS 11 4.146 1.993 5.332 86 2HB LYS 11 1HB LYS 11 5.542 0.963 5.649 87 1HG LYS 11 2HG LYS 11 6.598 3.531 5.184 88 2HG LYS 11 1HG LYS 11 5.195 3.780 6.223 89 1HD LYS 11 2HD LYS 11 6.497 1.500 7.247 90 2HD LYS 11 1HD LYS 11 7.778 2.662 6.898 91 1HE LYS 11 HE2 LYS 11 7.161 3.340 9.034 92 2HE LYS 11 HE1 LYS 11 6.112 4.364 8.052 93 1HZ LYS 11 1HZ LYS 11 4.304 2.903 8.377 94 2HZ LYS 11 2HZ LYS 11 4.991 3.150 9.910 95 3HZ LYS 11 3HZ LYS 11 5.286 1.706 9.067 96 H PHE 12 HN PHE 12 3.294 0.694 3.778 97 HA PHE 12 HA PHE 12 4.157 -1.933 2.984 98 1HB PHE 12 2HB PHE 12 1.354 -0.916 2.540 99 2HB PHE 12 1HB PHE 12 1.882 -2.528 3.038 100 HD1 PHE 12 HD1 PHE 12 3.857 -1.784 5.161 101 HD2 PHE 12 HD2 PHE 12 -0.079 -0.278 4.328 102 HE1 PHE 12 HE1 PHE 12 3.602 -1.139 7.541 103 HE2 PHE 12 HE2 PHE 12 -0.335 0.368 6.710 104 HZ PHE 12 HZ PHE 12 1.505 -0.063 8.316 105 H GLY 13 HN GLY 13 3.019 0.915 1.255 106 1HA GLY 13 2HA GLY 13 2.360 -0.054 -1.250 107 2HA GLY 13 1HA GLY 13 3.292 1.429 -1.033 108 H LYS 14 HN LYS 14 5.559 0.044 0.231 109 HA LYS 14 HA LYS 14 6.742 -1.067 -2.265 110 1HB LYS 14 2HB LYS 14 7.832 0.287 0.171 111 2HB LYS 14 1HB LYS 14 8.877 -0.841 -0.695 112 1HG LYS 14 2HG LYS 14 7.377 1.389 -2.086 113 2HG LYS 14 1HG LYS 14 9.015 1.587 -1.459 114 1HD LYS 14 2HD LYS 14 8.530 -0.815 -3.142 115 2HD LYS 14 1HD LYS 14 8.513 0.741 -3.974 116 1HE LYS 14 HE2 LYS 14 10.715 0.567 -2.076 117 2HE LYS 14 HE1 LYS 14 10.783 -0.730 -3.269 118 1HZ LYS 14 1HZ LYS 14 10.714 0.839 -5.029 119 2HZ LYS 14 2HZ LYS 14 11.911 1.367 -3.944 120 3HZ LYS 14 3HZ LYS 14 10.391 2.125 -3.970 121 H ALA 15 HN ALA 15 5.872 -1.931 1.014 122 HA ALA 15 HA ALA 15 7.344 -4.490 0.849 123 1HB ALA 15 1HB ALA 15 5.718 -4.589 3.102 124 2HB ALA 15 2HB ALA 15 6.132 -2.879 2.963 125 3HB ALA 15 3HB ALA 15 7.411 -4.090 3.071 126 H TRP 16 HN TRP 16 3.961 -3.375 1.090 127 HA TRP 16 HA TRP 16 2.773 -5.949 0.992 128 1HB TRP 16 2HB TRP 16 0.760 -4.845 0.831 129 2HB TRP 16 1HB TRP 16 1.768 -3.524 1.410 130 HD1 TRP 16 HD1 TRP 16 1.537 -1.383 0.052 131 HE1 TRP 16 HE1 TRP 16 0.862 -0.787 -2.363 132 HE3 TRP 16 HE3 TRP 16 0.759 -6.041 -1.783 133 HZ2 TRP 16 HZ2 TRP 16 0.086 -2.134 -4.773 134 HZ3 TRP 16 HZ3 TRP 16 0.066 -6.377 -4.130 135 HH2 TRP 16 HH2 TRP 16 -0.284 -4.438 -5.634 136 H VAL 17 HN VAL 17 3.630 -3.710 -1.660 137 HA VAL 17 HA VAL 17 2.582 -5.399 -3.714 138 HB VAL 17 HB VAL 17 3.513 -2.902 -3.760 139 1HG1 VAL 17 1HG1 VAL 17 5.706 -2.845 -4.971 140 2HG1 VAL 17 2HG1 VAL 17 5.885 -4.568 -4.647 141 3HG1 VAL 17 3HG1 VAL 17 5.842 -3.420 -3.309 142 1HG2 VAL 17 1HG2 VAL 17 2.526 -4.631 -5.604 143 2HG2 VAL 17 2HG2 VAL 17 4.126 -4.324 -6.283 144 3HG2 VAL 17 3HG2 VAL 17 3.021 -2.982 -5.985 145 H GLY 18 HN GLY 18 5.915 -5.096 -2.438 146 1HA GLY 18 2HA GLY 18 7.055 -7.162 -4.018 147 2HA GLY 18 1HA GLY 18 7.634 -6.703 -2.412 148 H GLU 19 HN GLU 19 4.674 -7.277 -1.577 149 HA GLU 19 HA GLU 19 5.152 -10.072 -0.831 150 1HB GLU 19 2HB GLU 19 4.302 -8.891 1.001 151 2HB GLU 19 1HB GLU 19 3.305 -7.852 -0.018 152 1HG GLU 19 2HG GLU 19 1.996 -9.493 1.352 153 2HG GLU 19 1HG GLU 19 1.712 -9.606 -0.385 154 H ILE 20 HN ILE 20 2.257 -8.332 -1.962 155 HA ILE 20 HA ILE 20 1.158 -10.713 -3.162 156 HB ILE 20 HB ILE 20 0.459 -7.794 -3.352 157 1HG1 ILE 20 2HG1 ILE 20 -1.107 -10.048 -2.103 158 2HG1 ILE 20 1HG1 ILE 20 0.111 -9.137 -1.206 159 1HG2 ILE 20 1HG2 ILE 20 -1.779 -9.108 -4.200 160 2HG2 ILE 20 2HG2 ILE 20 -0.511 -10.103 -4.915 161 3HG2 ILE 20 3HG2 ILE 20 -0.595 -8.380 -5.286 162 1HD1 ILE 20 1HD1 ILE 20 -1.465 -7.584 -0.785 163 2HD1 ILE 20 2HD1 ILE 20 -2.606 -8.375 -1.871 164 3HD1 ILE 20 3HD1 ILE 20 -1.455 -7.198 -2.505 165 H MET 21 HN MET 21 2.607 -7.748 -4.496 166 HA MET 21 HA MET 21 2.376 -8.391 -7.230 167 1HB MET 21 2HB MET 21 3.521 -6.346 -5.782 168 2HB MET 21 1HB MET 21 4.930 -7.121 -6.517 169 1HG MET 21 2HG MET 21 2.585 -6.730 -8.294 170 2HG MET 21 1HG MET 21 3.426 -5.260 -7.791 171 1HE MET 21 1HE MET 21 5.272 -4.833 -10.594 172 2HE MET 21 2HE MET 21 3.655 -4.738 -9.899 173 3HE MET 21 3HE MET 21 3.979 -5.871 -11.209 174 H ASN 22 HN ASN 22 4.343 -9.847 -4.788 175 HA ASN 22 HA ASN 22 6.309 -10.948 -6.663 176 1HB ASN 22 2HB ASN 22 6.973 -10.550 -4.342 177 2HB ASN 22 1HB ASN 22 5.692 -11.624 -3.768 178 1HD2 ASN 22 1HD2 ASN 22 8.923 -11.656 -4.078 179 2HD2 ASN 22 2HD2 ASN 22 9.188 -13.283 -4.516 180 H SER 23 HN SER 23 3.337 -12.015 -5.071 181 HA SER 23 HA SER 23 3.505 -14.776 -5.801 182 1HB SER 23 2HB SER 23 0.796 -14.172 -5.824 183 2HB SER 23 1HB SER 23 1.724 -14.659 -4.409 184 HG SER 23 HG SER 23 1.177 -12.751 -3.706 185 1H GLY 1 1H GLY 1 4.048 -13.587 9.141 186 2H GLY 1 2H GLY 1 4.418 -12.989 10.688 187 3H GLY 1 3H GLY 1 4.178 -11.914 9.394 188 1HA GLY 1 2HA GLY 1 2.118 -13.679 10.606 189 2HA GLY 1 1HA GLY 1 2.239 -11.931 10.816 190 H ILE 2 HN ILE 2 2.809 -11.054 8.274 191 HA ILE 2 HA ILE 2 1.663 -10.436 6.316 192 HB ILE 2 HB ILE 2 1.097 -13.418 6.295 193 1HG1 ILE 2 2HG1 ILE 2 3.085 -13.149 4.553 194 2HG1 ILE 2 1HG1 ILE 2 3.448 -11.722 5.532 195 1HG2 ILE 2 1HG2 ILE 2 0.001 -13.051 4.365 196 2HG2 ILE 2 2HG2 ILE 2 1.418 -12.236 3.704 197 3HG2 ILE 2 3HG2 ILE 2 0.203 -11.314 4.592 198 1HD1 ILE 2 1HD1 ILE 2 4.203 -14.343 6.114 199 2HD1 ILE 2 2HD1 ILE 2 2.832 -14.048 7.183 200 3HD1 ILE 2 3HD1 ILE 2 4.234 -12.981 7.233 201 H GLY 3 HN GLY 3 0.058 -9.297 7.706 202 1HA GLY 3 2HA GLY 3 -2.642 -10.371 7.193 203 2HA GLY 3 1HA GLY 3 -2.236 -10.079 8.885 204 H LYS 4 HN LYS 4 -0.744 -8.004 6.598 205 HA LYS 4 HA LYS 4 -2.835 -5.920 7.008 206 1HB LYS 4 2HB LYS 4 -0.717 -4.344 7.191 207 2HB LYS 4 1HB LYS 4 -1.334 -5.175 8.620 208 1HG LYS 4 2HG LYS 4 0.289 -7.066 8.058 209 2HG LYS 4 1HG LYS 4 1.023 -5.961 6.895 210 1HD LYS 4 2HD LYS 4 0.819 -5.627 9.895 211 2HD LYS 4 1HD LYS 4 2.282 -5.723 8.915 212 1HE LYS 4 HE2 LYS 4 2.207 -3.446 9.044 213 2HE LYS 4 HE1 LYS 4 1.038 -3.611 7.735 214 1HZ LYS 4 1HZ LYS 4 -0.320 -2.523 9.112 215 2HZ LYS 4 2HZ LYS 4 0.629 -2.846 10.483 216 3HZ LYS 4 3HZ LYS 4 -0.480 -4.004 9.922 217 H TYR 5 HN TYR 5 0.147 -6.861 5.301 218 HA TYR 5 HA TYR 5 -0.111 -4.998 3.160 219 1HB TYR 5 2HB TYR 5 1.121 -7.746 3.002 220 2HB TYR 5 1HB TYR 5 1.534 -6.317 2.058 221 HD1 TYR 5 HD1 TYR 5 2.529 -4.291 3.249 222 HD2 TYR 5 HD2 TYR 5 2.098 -8.138 5.116 223 HE1 TYR 5 HE1 TYR 5 4.170 -3.631 4.986 224 HE2 TYR 5 HE2 TYR 5 3.743 -7.475 6.854 225 HH TYR 5 HH TYR 5 4.730 -4.272 7.322 226 H LEU 6 HN LEU 6 -1.830 -7.867 3.938 227 HA LEU 6 HA LEU 6 -2.862 -7.999 1.146 228 1HB LEU 6 2HB LEU 6 -2.558 -10.011 3.354 229 2HB LEU 6 1HB LEU 6 -3.799 -10.262 2.126 230 HG LEU 6 HG LEU 6 -1.404 -11.254 1.757 231 1HD1 LEU 6 1HD1 LEU 6 -1.735 -11.118 -0.619 232 2HD1 LEU 6 2HD1 LEU 6 -2.642 -9.612 -0.463 233 3HD1 LEU 6 3HD1 LEU 6 -3.336 -11.123 0.123 234 1HD2 LEU 6 1HD2 LEU 6 0.116 -9.716 0.583 235 2HD2 LEU 6 2HD2 LEU 6 -0.212 -9.122 2.211 236 3HD2 LEU 6 3HD2 LEU 6 -1.018 -8.389 0.826 237 H HIS 7 HN HIS 7 -3.699 -6.936 4.263 238 HA HIS 7 HA HIS 7 -6.577 -6.963 3.463 239 1HB HIS 7 2HB HIS 7 -5.709 -7.047 6.345 240 2HB HIS 7 1HB HIS 7 -7.268 -7.490 5.649 241 HD1 HIS 7 HD1 HIS 7 -6.827 -9.528 3.654 242 HD2 HIS 7 HD2 HIS 7 -4.324 -9.332 6.981 243 HE1 HIS 7 HE1 HIS 7 -5.748 -11.809 3.872 244 H SER 8 HN SER 8 -4.110 -4.956 3.605 245 HA SER 8 HA SER 8 -5.830 -2.678 4.226 246 1HB SER 8 2HB SER 8 -4.972 -3.330 6.472 247 2HB SER 8 1HB SER 8 -3.327 -3.138 5.872 248 HG SER 8 HG SER 8 -5.342 -1.191 6.241 249 H ALA 9 HN ALA 9 -2.604 -3.860 3.393 250 HA ALA 9 HA ALA 9 -1.643 -1.340 2.399 251 1HB ALA 9 1HB ALA 9 -0.873 -4.164 1.590 252 2HB ALA 9 2HB ALA 9 -0.113 -3.197 2.864 253 3HB ALA 9 3HB ALA 9 0.016 -2.693 1.182 254 H LYS 10 HN LYS 10 -2.602 -4.221 0.528 255 HA LYS 10 HA LYS 10 -2.774 -3.193 -2.012 256 1HB LYS 10 2HB LYS 10 -3.982 -5.377 -0.660 257 2HB LYS 10 1HB LYS 10 -5.256 -4.562 -1.569 258 1HG LYS 10 2HG LYS 10 -3.151 -4.560 -3.356 259 2HG LYS 10 1HG LYS 10 -2.967 -6.116 -2.551 260 1HD LYS 10 2HD LYS 10 -4.456 -6.202 -4.573 261 2HD LYS 10 1HD LYS 10 -5.247 -6.735 -3.090 262 1HE LYS 10 HE2 LYS 10 -5.575 -3.901 -3.303 263 2HE LYS 10 HE1 LYS 10 -6.041 -4.627 -4.841 264 1HZ LYS 10 1HZ LYS 10 -7.010 -6.183 -2.689 265 2HZ LYS 10 2HZ LYS 10 -7.881 -5.413 -3.928 266 3HZ LYS 10 3HZ LYS 10 -7.509 -4.573 -2.499 267 H LYS 11 HN LYS 11 -5.334 -2.800 0.467 268 HA LYS 11 HA LYS 11 -7.207 -1.344 -0.991 269 1HB LYS 11 2HB LYS 11 -6.296 -1.247 1.859 270 2HB LYS 11 1HB LYS 11 -7.346 0.049 1.286 271 1HG LYS 11 2HG LYS 11 -8.757 -1.703 2.174 272 2HG LYS 11 1HG LYS 11 -8.922 -1.717 0.417 273 1HD LYS 11 2HD LYS 11 -7.128 -3.502 0.359 274 2HD LYS 11 1HD LYS 11 -7.249 -3.584 2.117 275 1HE LYS 11 HE2 LYS 11 -9.503 -4.080 0.149 276 2HE LYS 11 HE1 LYS 11 -8.672 -5.304 1.110 277 1HZ LYS 11 1HZ LYS 11 -10.560 -3.227 1.975 278 2HZ LYS 11 2HZ LYS 11 -9.384 -3.781 3.068 279 3HZ LYS 11 3HZ LYS 11 -10.501 -4.869 2.394 280 H PHE 12 HN PHE 12 -4.712 0.276 1.009 281 HA PHE 12 HA PHE 12 -4.925 2.753 -0.422 282 1HB PHE 12 2HB PHE 12 -2.387 1.895 0.951 283 2HB PHE 12 1HB PHE 12 -3.141 3.493 0.907 284 HD1 PHE 12 HD1 PHE 12 -5.829 3.191 1.735 285 HD2 PHE 12 HD2 PHE 12 -2.387 1.013 3.100 286 HE1 PHE 12 HE1 PHE 12 -6.988 2.700 3.873 287 HE2 PHE 12 HE2 PHE 12 -3.545 0.523 5.238 288 HZ PHE 12 HZ PHE 12 -5.845 1.367 5.624 289 H GLY 13 HN GLY 13 -3.074 -0.187 -0.900 290 1HA GLY 13 2HA GLY 13 -1.013 0.580 -2.584 291 2HA GLY 13 1HA GLY 13 -1.949 -0.892 -2.855 292 H LYS 14 HN LYS 14 -4.469 0.420 -3.337 293 HA LYS 14 HA LYS 14 -3.955 1.285 -6.118 294 1HB LYS 14 2HB LYS 14 -6.369 0.391 -4.571 295 2HB LYS 14 1HB LYS 14 -6.589 1.308 -6.061 296 1HG LYS 14 2HG LYS 14 -4.719 -0.498 -6.867 297 2HG LYS 14 1HG LYS 14 -5.598 -1.455 -5.674 298 1HD LYS 14 2HD LYS 14 -7.609 -1.325 -6.849 299 2HD LYS 14 1HD LYS 14 -7.132 0.145 -7.700 300 1HE LYS 14 HE2 LYS 14 -5.212 -1.685 -8.496 301 2HE LYS 14 HE1 LYS 14 -6.681 -2.656 -8.429 302 1HZ LYS 14 1HZ LYS 14 -5.930 -0.802 -10.377 303 2HZ LYS 14 2HZ LYS 14 -7.300 -0.182 -9.586 304 3HZ LYS 14 3HZ LYS 14 -7.352 -1.722 -10.301 305 H ALA 15 HN ALA 15 -5.081 2.630 -3.062 306 HA ALA 15 HA ALA 15 -5.897 5.149 -4.373 307 1HB ALA 15 1HB ALA 15 -7.282 5.155 -2.594 308 2HB ALA 15 2HB ALA 15 -5.878 5.536 -1.597 309 3HB ALA 15 3HB ALA 15 -6.376 3.858 -1.813 310 H TRP 16 HN TRP 16 -3.455 4.097 -1.986 311 HA TRP 16 HA TRP 16 -2.177 6.629 -1.753 312 1HB TRP 16 2HB TRP 16 -0.685 5.541 -0.390 313 2HB TRP 16 1HB TRP 16 -1.924 4.293 -0.438 314 HD1 TRP 16 HD1 TRP 16 -1.037 1.987 -1.036 315 HE1 TRP 16 HE1 TRP 16 0.980 1.064 -2.356 316 HE3 TRP 16 HE3 TRP 16 1.070 6.349 -2.490 317 HZ2 TRP 16 HZ2 TRP 16 3.220 2.079 -3.847 318 HZ3 TRP 16 HZ3 TRP 16 3.135 6.370 -3.851 319 HH2 TRP 16 HH2 TRP 16 4.220 4.252 -4.537 320 H VAL 17 HN VAL 17 -1.508 3.869 -3.924 321 HA VAL 17 HA VAL 17 0.729 5.179 -5.164 322 HB VAL 17 HB VAL 17 -0.266 2.640 -5.264 323 1HG1 VAL 17 1HG1 VAL 17 -1.000 3.942 -7.904 324 2HG1 VAL 17 2HG1 VAL 17 -2.120 3.213 -6.754 325 3HG1 VAL 17 3HG1 VAL 17 -0.957 2.204 -7.613 326 1HG2 VAL 17 1HG2 VAL 17 1.578 2.183 -6.618 327 2HG2 VAL 17 2HG2 VAL 17 2.009 3.757 -5.947 328 3HG2 VAL 17 3HG2 VAL 17 1.358 3.643 -7.583 329 H GLY 18 HN GLY 18 -2.704 4.882 -6.137 330 1HA GLY 18 2HA GLY 18 -2.521 6.494 -8.476 331 2HA GLY 18 1HA GLY 18 -3.981 6.322 -7.495 332 H GLU 19 HN GLU 19 -2.109 7.258 -5.174 333 HA GLU 19 HA GLU 19 -2.764 10.097 -5.444 334 1HB GLU 19 2HB GLU 19 -3.238 9.359 -3.272 335 2HB GLU 19 1HB GLU 19 -1.872 8.241 -3.256 336 1HG GLU 19 2HG GLU 19 -1.648 10.318 -1.787 337 2HG GLU 19 1HG GLU 19 -0.311 9.977 -2.886 338 H ILE 20 HN ILE 20 0.148 8.467 -4.174 339 HA ILE 20 HA ILE 20 1.835 10.633 -5.036 340 HB ILE 20 HB ILE 20 2.459 7.828 -4.161 341 1HG1 ILE 20 2HG1 ILE 20 2.923 10.414 -2.678 342 2HG1 ILE 20 1HG1 ILE 20 1.418 9.500 -2.537 343 1HG2 ILE 20 1HG2 ILE 20 4.433 8.301 -5.245 344 2HG2 ILE 20 2HG2 ILE 20 4.763 9.129 -3.723 345 3HG2 ILE 20 3HG2 ILE 20 4.198 10.044 -5.122 346 1HD1 ILE 20 1HD1 ILE 20 3.606 7.677 -2.268 347 2HD1 ILE 20 2HD1 ILE 20 2.383 8.096 -1.071 348 3HD1 ILE 20 3HD1 ILE 20 3.875 9.033 -1.175 349 H MET 21 HN MET 21 1.364 7.317 -6.251 350 HA MET 21 HA MET 21 3.210 7.412 -8.374 351 1HB MET 21 2HB MET 21 1.366 5.584 -7.472 352 2HB MET 21 1HB MET 21 0.695 6.043 -9.041 353 1HG MET 21 2HG MET 21 3.507 5.042 -8.503 354 2HG MET 21 1HG MET 21 2.226 4.173 -9.356 355 1HE MET 21 1HE MET 21 1.562 4.228 -11.264 356 2HE MET 21 2HE MET 21 3.020 4.123 -12.248 357 3HE MET 21 3HE MET 21 1.813 5.355 -12.604 358 H ASN 22 HN ASN 22 0.104 8.971 -8.047 359 HA ASN 22 HA ASN 22 -0.133 9.536 -10.921 360 1HB ASN 22 2HB ASN 22 -2.147 9.256 -9.498 361 2HB ASN 22 1HB ASN 22 -1.673 10.683 -8.570 362 1HD2 ASN 22 1HD2 ASN 22 -3.898 11.461 -9.433 363 2HD2 ASN 22 2HD2 ASN 22 -3.912 12.215 -10.963 364 H SER 23 HN SER 23 1.061 11.142 -8.025 365 HA SER 23 HA SER 23 1.392 13.707 -9.435 366 1HB SER 23 2HB SER 23 0.853 13.838 -7.082 367 2HB SER 23 1HB SER 23 2.181 12.757 -6.665 368 HG SER 23 HG SER 23 3.621 14.331 -7.181 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -9.022 15.699 2.730 2 2H GLY 1 2H GLY 1 -8.576 14.172 3.327 3 3H GLY 1 3H GLY 1 -9.251 14.317 1.774 4 1HA GLY 1 2HA GLY 1 -7.345 15.096 0.832 5 2HA GLY 1 1HA GLY 1 -6.790 15.795 2.354 6 H ILE 2 HN ILE 2 -4.995 14.282 0.944 7 HA ILE 2 HA ILE 2 -5.054 11.500 1.842 8 HB ILE 2 HB ILE 2 -2.930 11.288 0.713 9 1HG1 ILE 2 2HG1 ILE 2 -2.936 14.312 0.862 10 2HG1 ILE 2 1HG1 ILE 2 -1.722 13.195 1.492 11 1HG2 ILE 2 1HG2 ILE 2 -5.174 11.841 -0.576 12 2HG2 ILE 2 2HG2 ILE 2 -3.646 11.750 -1.452 13 3HG2 ILE 2 3HG2 ILE 2 -4.315 13.321 -1.006 14 1HD1 ILE 2 1HD1 ILE 2 -1.679 12.491 -1.122 15 2HD1 ILE 2 2HD1 ILE 2 -0.632 13.739 -0.445 16 3HD1 ILE 2 3HD1 ILE 2 -2.121 14.191 -1.276 17 H GLY 3 HN GLY 3 -4.603 11.009 3.929 18 1HA GLY 3 2HA GLY 3 -2.324 12.409 5.235 19 2HA GLY 3 1HA GLY 3 -3.863 12.299 6.093 20 H LYS 4 HN LYS 4 -3.297 9.630 4.106 21 HA LYS 4 HA LYS 4 -2.004 8.077 6.291 22 1HB LYS 4 2HB LYS 4 -3.724 6.215 5.408 23 2HB LYS 4 1HB LYS 4 -4.139 7.314 6.724 24 1HG LYS 4 2HG LYS 4 -5.133 8.873 5.017 25 2HG LYS 4 1HG LYS 4 -4.861 7.628 3.797 26 1HD LYS 4 2HD LYS 4 -7.149 7.437 4.591 27 2HD LYS 4 1HD LYS 4 -6.233 6.051 5.184 28 1HE LYS 4 HE2 LYS 4 -7.025 6.618 7.228 29 2HE LYS 4 HE1 LYS 4 -5.840 7.923 7.176 30 1HZ LYS 4 1HZ LYS 4 -7.432 9.436 6.947 31 2HZ LYS 4 2HZ LYS 4 -8.538 8.219 7.379 32 3HZ LYS 4 3HZ LYS 4 -8.232 8.553 5.741 33 H TYR 5 HN TYR 5 -3.023 8.265 2.901 34 HA TYR 5 HA TYR 5 -1.460 6.054 1.981 35 1HB TYR 5 2HB TYR 5 -2.190 8.499 0.375 36 2HB TYR 5 1HB TYR 5 -1.948 6.850 -0.194 37 HD1 TYR 5 HD1 TYR 5 -4.277 9.183 1.372 38 HD2 TYR 5 HD2 TYR 5 -3.602 5.071 0.332 39 HE1 TYR 5 HE1 TYR 5 -6.684 8.699 1.723 40 HE2 TYR 5 HE2 TYR 5 -6.009 4.586 0.684 41 HH TYR 5 HH TYR 5 -7.917 5.722 2.148 42 H LEU 6 HN LEU 6 -0.684 9.310 2.870 43 HA LEU 6 HA LEU 6 1.992 9.014 1.585 44 1HB LEU 6 2HB LEU 6 0.322 11.364 2.437 45 2HB LEU 6 1HB LEU 6 2.072 11.542 2.305 46 HG LEU 6 HG LEU 6 0.627 12.070 0.213 47 1HD1 LEU 6 1HD1 LEU 6 3.091 11.855 0.212 48 2HD1 LEU 6 2HD1 LEU 6 2.392 11.179 -1.258 49 3HD1 LEU 6 3HD1 LEU 6 2.933 10.107 0.034 50 1HD2 LEU 6 1HD2 LEU 6 -0.728 9.970 0.394 51 2HD2 LEU 6 2HD2 LEU 6 0.728 9.041 0.039 52 3HD2 LEU 6 3HD2 LEU 6 0.064 10.138 -1.173 53 H HIS 7 HN HIS 7 0.570 8.366 4.468 54 HA HIS 7 HA HIS 7 3.131 8.844 5.909 55 1HB HIS 7 2HB HIS 7 0.471 9.232 7.276 56 2HB HIS 7 1HB HIS 7 2.066 9.771 7.802 57 HD1 HIS 7 HD1 HIS 7 3.161 11.272 5.483 58 HD2 HIS 7 HD2 HIS 7 -0.872 11.518 6.503 59 HE1 HIS 7 HE1 HIS 7 2.295 13.423 4.466 60 H SER 8 HN SER 8 1.475 6.507 4.692 61 HA SER 8 HA SER 8 2.228 4.592 6.710 62 1HB SER 8 2HB SER 8 -0.015 5.679 7.517 63 2HB SER 8 1HB SER 8 -0.742 4.681 6.261 64 HG SER 8 HG SER 8 0.902 3.815 8.412 65 H ALA 9 HN ALA 9 0.259 5.264 3.839 66 HA ALA 9 HA ALA 9 0.074 2.556 2.940 67 1HB ALA 9 1HB ALA 9 0.162 5.150 1.361 68 2HB ALA 9 2HB ALA 9 -1.277 4.253 1.866 69 3HB ALA 9 3HB ALA 9 -0.189 3.567 0.670 70 H LYS 10 HN LYS 10 2.182 5.091 1.613 71 HA LYS 10 HA LYS 10 3.940 3.791 0.040 72 1HB LYS 10 2HB LYS 10 4.187 6.041 1.835 73 2HB LYS 10 1HB LYS 10 5.701 5.141 1.778 74 1HG LYS 10 2HG LYS 10 5.237 5.146 -0.828 75 2HG LYS 10 1HG LYS 10 4.259 6.560 -0.433 76 1HD LYS 10 2HD LYS 10 6.608 7.165 -1.009 77 2HD LYS 10 1HD LYS 10 6.178 7.632 0.636 78 1HE LYS 10 HE2 LYS 10 7.650 6.171 1.566 79 2HE LYS 10 HE1 LYS 10 7.264 4.903 0.403 80 1HZ LYS 10 1HZ LYS 10 9.465 6.639 0.419 81 2HZ LYS 10 2HZ LYS 10 8.546 6.962 -0.973 82 3HZ LYS 10 3HZ LYS 10 9.117 5.390 -0.674 83 H LYS 11 HN LYS 11 4.323 3.716 3.611 84 HA LYS 11 HA LYS 11 6.518 2.026 3.831 85 1HB LYS 11 2HB LYS 11 3.992 2.289 5.439 86 2HB LYS 11 1HB LYS 11 5.126 0.997 5.831 87 1HG LYS 11 2HG LYS 11 6.553 3.478 5.419 88 2HG LYS 11 1HG LYS 11 5.286 3.698 6.627 89 1HD LYS 11 2HD LYS 11 6.187 2.094 8.062 90 2HD LYS 11 1HD LYS 11 7.044 1.266 6.761 91 1HE LYS 11 HE2 LYS 11 8.693 2.452 8.057 92 2HE LYS 11 HE1 LYS 11 8.500 3.320 6.535 93 1HZ LYS 11 1HZ LYS 11 6.614 4.428 8.133 94 2HZ LYS 11 2HZ LYS 11 8.145 5.094 7.809 95 3HZ LYS 11 3HZ LYS 11 7.898 4.165 9.210 96 H PHE 12 HN PHE 12 3.169 0.756 3.936 97 HA PHE 12 HA PHE 12 4.010 -1.906 3.218 98 1HB PHE 12 2HB PHE 12 1.228 -0.925 2.653 99 2HB PHE 12 1HB PHE 12 1.749 -2.474 3.323 100 HD1 PHE 12 HD1 PHE 12 0.371 0.699 4.094 101 HD2 PHE 12 HD2 PHE 12 2.972 -2.339 5.662 102 HE1 PHE 12 HE1 PHE 12 -0.004 1.561 6.388 103 HE2 PHE 12 HE2 PHE 12 2.598 -1.474 7.956 104 HZ PHE 12 HZ PHE 12 1.110 0.476 8.319 105 H GLY 13 HN GLY 13 2.927 0.936 1.448 106 1HA GLY 13 2HA GLY 13 2.304 -0.041 -1.061 107 2HA GLY 13 1HA GLY 13 3.240 1.437 -0.838 108 H LYS 14 HN LYS 14 5.453 -0.003 0.497 109 HA LYS 14 HA LYS 14 6.720 -1.042 -1.984 110 1HB LYS 14 2HB LYS 14 7.879 -0.193 0.686 111 2HB LYS 14 1HB LYS 14 8.837 -0.810 -0.662 112 1HG LYS 14 2HG LYS 14 7.024 1.616 -0.806 113 2HG LYS 14 1HG LYS 14 8.775 1.683 -0.602 114 1HD LYS 14 2HD LYS 14 8.916 0.266 -2.741 115 2HD LYS 14 1HD LYS 14 7.214 0.667 -2.981 116 1HE LYS 14 HE2 LYS 14 9.582 2.537 -2.896 117 2HE LYS 14 HE1 LYS 14 8.383 2.346 -4.176 118 1HZ LYS 14 1HZ LYS 14 6.701 3.169 -2.583 119 2HZ LYS 14 2HZ LYS 14 7.891 4.321 -2.961 120 3HZ LYS 14 3HZ LYS 14 7.944 3.498 -1.477 121 H ALA 15 HN ALA 15 5.900 -2.032 1.318 122 HA ALA 15 HA ALA 15 7.233 -4.634 0.962 123 1HB ALA 15 1HB ALA 15 5.806 -3.236 3.185 124 2HB ALA 15 2HB ALA 15 7.369 -4.053 3.194 125 3HB ALA 15 3HB ALA 15 5.880 -4.998 3.229 126 H TRP 16 HN TRP 16 3.925 -3.347 1.037 127 HA TRP 16 HA TRP 16 2.672 -5.938 0.859 128 1HB TRP 16 2HB TRP 16 0.690 -4.793 0.953 129 2HB TRP 16 1HB TRP 16 1.741 -3.500 1.513 130 HD1 TRP 16 HD1 TRP 16 1.392 -1.304 0.278 131 HE1 TRP 16 HE1 TRP 16 0.550 -0.601 -2.056 132 HE3 TRP 16 HE3 TRP 16 0.518 -5.876 -1.702 133 HZ2 TRP 16 HZ2 TRP 16 -0.390 -1.850 -4.468 134 HZ3 TRP 16 HZ3 TRP 16 -0.343 -6.117 -4.008 135 HH2 TRP 16 HH2 TRP 16 -0.807 -4.118 -5.399 136 H VAL 17 HN VAL 17 3.450 -3.443 -1.590 137 HA VAL 17 HA VAL 17 2.347 -4.982 -3.746 138 HB VAL 17 HB VAL 17 3.278 -2.428 -3.539 139 1HG1 VAL 17 1HG1 VAL 17 5.406 -3.999 -5.018 140 2HG1 VAL 17 2HG1 VAL 17 5.633 -3.008 -3.576 141 3HG1 VAL 17 3HG1 VAL 17 5.220 -2.248 -5.113 142 1HG2 VAL 17 1HG2 VAL 17 3.426 -3.464 -6.288 143 2HG2 VAL 17 2HG2 VAL 17 2.347 -2.251 -5.600 144 3HG2 VAL 17 3HG2 VAL 17 1.984 -3.967 -5.406 145 H GLY 18 HN GLY 18 5.726 -4.609 -2.610 146 1HA GLY 18 2HA GLY 18 6.887 -6.482 -4.400 147 2HA GLY 18 1HA GLY 18 7.514 -6.130 -2.784 148 H GLU 19 HN GLU 19 4.626 -6.909 -1.873 149 HA GLU 19 HA GLU 19 5.253 -9.727 -1.381 150 1HB GLU 19 2HB GLU 19 4.407 -8.734 0.564 151 2HB GLU 19 1HB GLU 19 3.308 -7.687 -0.338 152 1HG GLU 19 2HG GLU 19 2.213 -9.585 0.963 153 2HG GLU 19 1HG GLU 19 1.785 -9.458 -0.744 154 H ILE 20 HN ILE 20 2.198 -8.093 -2.234 155 HA ILE 20 HA ILE 20 1.247 -10.433 -3.625 156 HB ILE 20 HB ILE 20 0.293 -7.580 -3.533 157 1HG1 ILE 20 2HG1 ILE 20 -0.961 -10.086 -2.424 158 2HG1 ILE 20 1HG1 ILE 20 0.150 -9.076 -1.492 159 1HG2 ILE 20 1HG2 ILE 20 -1.868 -8.809 -4.445 160 2HG2 ILE 20 2HG2 ILE 20 -0.682 -9.935 -5.105 161 3HG2 ILE 20 3HG2 ILE 20 -0.633 -8.233 -5.564 162 1HD1 ILE 20 1HD1 ILE 20 -1.753 -7.330 -2.671 163 2HD1 ILE 20 2HD1 ILE 20 -1.567 -7.723 -0.961 164 3HD1 ILE 20 3HD1 ILE 20 -2.657 -8.674 -1.972 165 H MET 21 HN MET 21 2.415 -7.259 -4.723 166 HA MET 21 HA MET 21 2.114 -7.668 -7.493 167 1HB MET 21 2HB MET 21 3.166 -5.680 -5.898 168 2HB MET 21 1HB MET 21 4.590 -6.266 -6.768 169 1HG MET 21 2HG MET 21 2.100 -5.873 -8.355 170 2HG MET 21 1HG MET 21 2.940 -4.419 -7.809 171 1HE MET 21 1HE MET 21 6.225 -4.292 -9.438 172 2HE MET 21 2HE MET 21 5.332 -4.055 -7.938 173 3HE MET 21 3HE MET 21 4.738 -3.334 -9.432 174 H ASN 22 HN ASN 22 4.302 -9.173 -5.275 175 HA ASN 22 HA ASN 22 6.283 -9.923 -7.291 176 1HB ASN 22 2HB ASN 22 5.896 -10.288 -4.403 177 2HB ASN 22 1HB ASN 22 6.581 -11.708 -5.200 178 1HD2 ASN 22 1HD2 ASN 22 7.045 -8.245 -6.049 179 2HD2 ASN 22 2HD2 ASN 22 8.737 -8.262 -5.825 180 H SER 23 HN SER 23 3.635 -11.591 -5.575 181 HA SER 23 HA SER 23 3.942 -14.148 -6.719 182 1HB SER 23 2HB SER 23 2.204 -13.142 -4.956 183 2HB SER 23 1HB SER 23 1.176 -13.068 -6.384 184 HG SER 23 HG SER 23 2.403 -15.298 -5.161 185 1H GLY 1 1H GLY 1 5.306 -13.417 6.057 186 2H GLY 1 2H GLY 1 4.396 -13.711 7.462 187 3H GLY 1 3H GLY 1 6.077 -13.493 7.566 188 1HA GLY 1 2HA GLY 1 4.687 -11.535 8.258 189 2HA GLY 1 1HA GLY 1 5.938 -11.217 7.056 190 H ILE 2 HN ILE 2 2.545 -12.379 7.087 191 HA ILE 2 HA ILE 2 1.918 -10.305 5.061 192 HB ILE 2 HB ILE 2 0.568 -12.174 3.843 193 1HG1 ILE 2 2HG1 ILE 2 2.638 -13.769 5.390 194 2HG1 ILE 2 1HG1 ILE 2 0.882 -13.942 5.485 195 1HG2 ILE 2 1HG2 ILE 2 2.448 -12.591 2.381 196 2HG2 ILE 2 2HG2 ILE 2 3.594 -12.235 3.673 197 3HG2 ILE 2 3HG2 ILE 2 2.602 -10.945 2.994 198 1HD1 ILE 2 1HD1 ILE 2 2.658 -15.253 3.696 199 2HD1 ILE 2 2HD1 ILE 2 1.691 -14.136 2.734 200 3HD1 ILE 2 3HD1 ILE 2 0.898 -15.353 3.733 201 H GLY 3 HN GLY 3 1.006 -9.740 7.381 202 1HA GLY 3 2HA GLY 3 -1.799 -10.762 7.441 203 2HA GLY 3 1HA GLY 3 -0.892 -10.526 8.938 204 H LYS 4 HN LYS 4 -0.066 -8.230 6.620 205 HA LYS 4 HA LYS 4 -2.152 -6.315 7.523 206 1HB LYS 4 2HB LYS 4 -0.009 -4.665 7.457 207 2HB LYS 4 1HB LYS 4 -0.555 -5.460 8.933 208 1HG LYS 4 2HG LYS 4 1.007 -7.388 8.305 209 2HG LYS 4 1HG LYS 4 1.692 -6.305 7.093 210 1HD LYS 4 2HD LYS 4 3.077 -5.988 8.982 211 2HD LYS 4 1HD LYS 4 1.963 -4.621 9.040 212 1HE LYS 4 HE2 LYS 4 0.866 -6.954 10.396 213 2HE LYS 4 HE1 LYS 4 2.413 -6.468 11.089 214 1HZ LYS 4 1HZ LYS 4 1.587 -4.508 11.798 215 2HZ LYS 4 2HZ LYS 4 0.115 -5.354 11.772 216 3HZ LYS 4 3HZ LYS 4 0.533 -4.332 10.481 217 H TYR 5 HN TYR 5 0.484 -7.092 5.288 218 HA TYR 5 HA TYR 5 -0.131 -5.051 3.360 219 1HB TYR 5 2HB TYR 5 1.141 -7.723 2.797 220 2HB TYR 5 1HB TYR 5 1.374 -6.203 1.937 221 HD1 TYR 5 HD1 TYR 5 2.385 -4.218 3.268 222 HD2 TYR 5 HD2 TYR 5 2.538 -8.307 4.581 223 HE1 TYR 5 HE1 TYR 5 4.254 -3.656 4.800 224 HE2 TYR 5 HE2 TYR 5 4.408 -7.744 6.112 225 HH TYR 5 HH TYR 5 5.616 -4.399 6.385 226 H LEU 6 HN LEU 6 -1.429 -8.216 4.055 227 HA LEU 6 HA LEU 6 -2.945 -8.107 1.500 228 1HB LEU 6 2HB LEU 6 -2.260 -10.308 3.442 229 2HB LEU 6 1HB LEU 6 -3.589 -10.507 2.297 230 HG LEU 6 HG LEU 6 -1.312 -11.349 1.518 231 1HD1 LEU 6 1HD1 LEU 6 -3.185 -10.874 -0.017 232 2HD1 LEU 6 2HD1 LEU 6 -1.641 -10.455 -0.748 233 3HD1 LEU 6 3HD1 LEU 6 -2.681 -9.186 -0.106 234 1HD2 LEU 6 1HD2 LEU 6 -0.108 -9.317 2.477 235 2HD2 LEU 6 2HD2 LEU 6 -0.771 -8.391 1.129 236 3HD2 LEU 6 3HD2 LEU 6 0.330 -9.734 0.819 237 H HIS 7 HN HIS 7 -3.380 -6.839 4.415 238 HA HIS 7 HA HIS 7 -6.312 -7.327 4.305 239 1HB HIS 7 2HB HIS 7 -4.797 -7.219 6.918 240 2HB HIS 7 1HB HIS 7 -6.481 -7.674 6.663 241 HD1 HIS 7 HD1 HIS 7 -6.233 -9.664 4.368 242 HD2 HIS 7 HD2 HIS 7 -3.619 -9.626 7.612 243 HE1 HIS 7 HE1 HIS 7 -5.216 -11.981 4.496 244 H SER 8 HN SER 8 -4.128 -5.070 3.843 245 HA SER 8 HA SER 8 -5.909 -2.913 4.518 246 1HB SER 8 2HB SER 8 -5.286 -2.761 6.712 247 2HB SER 8 1HB SER 8 -3.782 -3.638 6.446 248 HG SER 8 HG SER 8 -2.806 -1.795 6.233 249 H ALA 9 HN ALA 9 -2.648 -3.938 3.658 250 HA ALA 9 HA ALA 9 -1.766 -1.411 2.635 251 1HB ALA 9 1HB ALA 9 -0.217 -3.282 3.042 252 2HB ALA 9 2HB ALA 9 -0.114 -2.721 1.380 253 3HB ALA 9 3HB ALA 9 -0.986 -4.213 1.748 254 H LYS 10 HN LYS 10 -2.712 -4.276 0.763 255 HA LYS 10 HA LYS 10 -2.978 -3.398 -1.773 256 1HB LYS 10 2HB LYS 10 -4.496 -5.282 -0.156 257 2HB LYS 10 1HB LYS 10 -5.498 -4.554 -1.412 258 1HG LYS 10 2HG LYS 10 -3.747 -5.125 -3.093 259 2HG LYS 10 1HG LYS 10 -2.833 -5.941 -1.824 260 1HD LYS 10 2HD LYS 10 -4.099 -7.641 -2.952 261 2HD LYS 10 1HD LYS 10 -4.900 -7.362 -1.405 262 1HE LYS 10 HE2 LYS 10 -6.407 -5.709 -2.631 263 2HE LYS 10 HE1 LYS 10 -5.734 -6.349 -4.131 264 1HZ LYS 10 1HZ LYS 10 -7.340 -7.869 -3.959 265 2HZ LYS 10 2HZ LYS 10 -7.634 -7.529 -2.321 266 3HZ LYS 10 3HZ LYS 10 -6.378 -8.585 -2.759 267 H LYS 11 HN LYS 11 -5.509 -2.710 0.678 268 HA LYS 11 HA LYS 11 -7.233 -1.169 -0.900 269 1HB LYS 11 2HB LYS 11 -6.399 -0.659 1.975 270 2HB LYS 11 1HB LYS 11 -7.811 0.053 1.193 271 1HG LYS 11 2HG LYS 11 -7.774 -2.820 0.805 272 2HG LYS 11 1HG LYS 11 -7.697 -2.422 2.521 273 1HD LYS 11 2HD LYS 11 -9.581 -0.638 1.461 274 2HD LYS 11 1HD LYS 11 -9.936 -2.184 0.687 275 1HE LYS 11 HE2 LYS 11 -9.348 -2.391 3.566 276 2HE LYS 11 HE1 LYS 11 -10.801 -1.465 3.193 277 1HZ LYS 11 1HZ LYS 11 -11.748 -3.259 2.077 278 2HZ LYS 11 2HZ LYS 11 -11.039 -3.965 3.450 279 3HZ LYS 11 3HZ LYS 11 -10.274 -4.088 1.939 280 H PHE 12 HN PHE 12 -4.676 0.232 1.183 281 HA PHE 12 HA PHE 12 -4.730 2.763 -0.200 282 1HB PHE 12 2HB PHE 12 -2.320 1.775 1.311 283 2HB PHE 12 1HB PHE 12 -2.999 3.405 1.245 284 HD1 PHE 12 HD1 PHE 12 -2.464 0.931 3.475 285 HD2 PHE 12 HD2 PHE 12 -5.776 3.146 1.870 286 HE1 PHE 12 HE1 PHE 12 -3.772 0.462 5.529 287 HE2 PHE 12 HE2 PHE 12 -7.084 2.677 3.926 288 HZ PHE 12 HZ PHE 12 -6.082 1.335 5.755 289 H GLY 13 HN GLY 13 -3.172 -0.280 -0.783 290 1HA GLY 13 2HA GLY 13 -0.924 0.519 -2.300 291 2HA GLY 13 1HA GLY 13 -1.814 -0.982 -2.565 292 H LYS 14 HN LYS 14 -4.340 0.307 -3.184 293 HA LYS 14 HA LYS 14 -3.724 1.041 -5.979 294 1HB LYS 14 2HB LYS 14 -6.337 0.498 -4.538 295 2HB LYS 14 1HB LYS 14 -6.215 0.890 -6.254 296 1HG LYS 14 2HG LYS 14 -4.555 -1.351 -5.144 297 2HG LYS 14 1HG LYS 14 -6.262 -1.631 -5.487 298 1HD LYS 14 2HD LYS 14 -5.846 -0.683 -7.803 299 2HD LYS 14 1HD LYS 14 -4.122 -0.721 -7.426 300 1HE LYS 14 HE2 LYS 14 -4.573 -2.773 -8.562 301 2HE LYS 14 HE1 LYS 14 -4.444 -3.192 -6.854 302 1HZ LYS 14 1HZ LYS 14 -6.581 -3.670 -8.541 303 2HZ LYS 14 2HZ LYS 14 -7.099 -2.447 -7.482 304 3HZ LYS 14 3HZ LYS 14 -6.521 -3.920 -6.866 305 H ALA 15 HN ALA 15 -4.936 2.525 -3.030 306 HA ALA 15 HA ALA 15 -5.720 4.977 -4.479 307 1HB ALA 15 1HB ALA 15 -6.375 5.797 -2.234 308 2HB ALA 15 2HB ALA 15 -5.715 4.329 -1.516 309 3HB ALA 15 3HB ALA 15 -7.109 4.233 -2.593 310 H TRP 16 HN TRP 16 -3.320 3.993 -2.027 311 HA TRP 16 HA TRP 16 -2.044 6.534 -1.827 312 1HB TRP 16 2HB TRP 16 -0.659 5.479 -0.361 313 2HB TRP 16 1HB TRP 16 -1.839 4.181 -0.488 314 HD1 TRP 16 HD1 TRP 16 -0.800 1.918 -0.995 315 HE1 TRP 16 HE1 TRP 16 1.337 1.084 -2.174 316 HE3 TRP 16 HE3 TRP 16 1.159 6.365 -2.416 317 HZ2 TRP 16 HZ2 TRP 16 3.607 2.190 -3.544 318 HZ3 TRP 16 HZ3 TRP 16 3.304 6.469 -3.647 319 HH2 TRP 16 HH2 TRP 16 4.532 4.395 -4.220 320 H VAL 17 HN VAL 17 -1.253 3.683 -3.852 321 HA VAL 17 HA VAL 17 0.944 5.052 -5.129 322 HB VAL 17 HB VAL 17 -0.025 2.430 -5.103 323 1HG1 VAL 17 1HG1 VAL 17 -0.205 3.517 -7.929 324 2HG1 VAL 17 2HG1 VAL 17 -1.571 2.961 -6.964 325 3HG1 VAL 17 3HG1 VAL 17 -0.323 1.819 -7.464 326 1HG2 VAL 17 1HG2 VAL 17 2.180 2.235 -5.469 327 2HG2 VAL 17 2HG2 VAL 17 2.266 3.919 -5.987 328 3HG2 VAL 17 3HG2 VAL 17 1.915 2.651 -7.163 329 H GLY 18 HN GLY 18 -2.443 4.438 -6.100 330 1HA GLY 18 2HA GLY 18 -2.361 5.855 -8.562 331 2HA GLY 18 1HA GLY 18 -3.806 5.694 -7.553 332 H GLU 19 HN GLU 19 -2.017 6.912 -5.322 333 HA GLU 19 HA GLU 19 -2.767 9.698 -5.838 334 1HB GLU 19 2HB GLU 19 -3.269 9.100 -3.620 335 2HB GLU 19 1HB GLU 19 -1.843 8.066 -3.484 336 1HG GLU 19 2HG GLU 19 -1.732 10.237 -2.176 337 2HG GLU 19 1HG GLU 19 -0.385 9.935 -3.272 338 H ILE 20 HN ILE 20 0.144 8.256 -4.376 339 HA ILE 20 HA ILE 20 1.805 10.402 -5.342 340 HB ILE 20 HB ILE 20 2.375 7.714 -4.140 341 1HG1 ILE 20 2HG1 ILE 20 2.991 10.437 -3.015 342 2HG1 ILE 20 1HG1 ILE 20 1.394 9.705 -2.831 343 1HG2 ILE 20 1HG2 ILE 20 4.299 9.838 -5.099 344 2HG2 ILE 20 2HG2 ILE 20 4.298 8.119 -5.495 345 3HG2 ILE 20 3HG2 ILE 20 4.747 8.650 -3.874 346 1HD1 ILE 20 1HD1 ILE 20 3.876 9.089 -1.430 347 2HD1 ILE 20 2HD1 ILE 20 3.154 7.653 -2.153 348 3HD1 ILE 20 3HD1 ILE 20 2.221 8.633 -1.023 349 H MET 21 HN MET 21 1.457 6.994 -6.300 350 HA MET 21 HA MET 21 3.368 6.978 -8.383 351 1HB MET 21 2HB MET 21 1.541 5.182 -7.340 352 2HB MET 21 1HB MET 21 0.952 5.434 -8.987 353 1HG MET 21 2HG MET 21 3.871 4.903 -8.430 354 2HG MET 21 1HG MET 21 2.717 3.579 -8.627 355 1HE MET 21 1HE MET 21 2.368 2.646 -11.522 356 2HE MET 21 2HE MET 21 1.138 3.871 -11.827 357 3HE MET 21 3HE MET 21 1.309 3.185 -10.212 358 H ASN 22 HN ASN 22 0.291 8.544 -8.207 359 HA ASN 22 HA ASN 22 -0.256 8.659 -11.040 360 1HB ASN 22 2HB ASN 22 -1.382 9.755 -8.592 361 2HB ASN 22 1HB ASN 22 -1.349 10.966 -9.878 362 1HD2 ASN 22 1HD2 ASN 22 -1.660 7.443 -10.387 363 2HD2 ASN 22 2HD2 ASN 22 -3.234 7.514 -11.040 364 H SER 23 HN SER 23 0.951 11.213 -8.828 365 HA SER 23 HA SER 23 1.746 12.991 -10.912 366 1HB SER 23 2HB SER 23 2.490 12.686 -8.016 367 2HB SER 23 1HB SER 23 3.365 13.833 -9.027 368 HG SER 23 HG SER 23 0.619 13.753 -8.364 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -9.011 15.169 2.120 2 2H GLY 1 2H GLY 1 -10.125 13.888 2.096 3 3H GLY 1 3H GLY 1 -8.653 13.753 1.259 4 1HA GLY 1 2HA GLY 1 -8.643 14.218 4.164 5 2HA GLY 1 1HA GLY 1 -8.911 12.591 3.533 6 H ILE 2 HN ILE 2 -7.205 11.551 2.394 7 HA ILE 2 HA ILE 2 -4.958 11.047 1.953 8 HB ILE 2 HB ILE 2 -4.732 14.065 1.735 9 1HG1 ILE 2 2HG1 ILE 2 -6.390 13.273 0.177 10 2HG1 ILE 2 1HG1 ILE 2 -4.899 13.518 -0.739 11 1HG2 ILE 2 1HG2 ILE 2 -2.801 11.920 1.575 12 2HG2 ILE 2 2HG2 ILE 2 -2.535 13.659 1.440 13 3HG2 ILE 2 3HG2 ILE 2 -2.949 12.716 0.008 14 1HD1 ILE 2 1HD1 ILE 2 -4.512 10.963 -0.021 15 2HD1 ILE 2 2HD1 ILE 2 -5.408 11.398 -1.476 16 3HD1 ILE 2 3HD1 ILE 2 -6.275 10.978 0.001 17 H GLY 3 HN GLY 3 -4.947 10.425 4.303 18 1HA GLY 3 2HA GLY 3 -2.824 11.960 5.686 19 2HA GLY 3 1HA GLY 3 -4.325 11.670 6.572 20 H LYS 4 HN LYS 4 -3.546 9.212 4.368 21 HA LYS 4 HA LYS 4 -2.096 7.629 6.422 22 1HB LYS 4 2HB LYS 4 -3.932 5.921 4.994 23 2HB LYS 4 1HB LYS 4 -3.779 6.165 6.731 24 1HG LYS 4 2HG LYS 4 -5.155 8.273 6.464 25 2HG LYS 4 1HG LYS 4 -5.451 7.786 4.794 26 1HD LYS 4 2HD LYS 4 -7.312 6.984 6.085 27 2HD LYS 4 1HD LYS 4 -6.316 5.579 5.701 28 1HE LYS 4 HE2 LYS 4 -6.467 5.185 7.944 29 2HE LYS 4 HE1 LYS 4 -5.165 6.373 8.035 30 1HZ LYS 4 1HZ LYS 4 -7.412 6.628 9.385 31 2HZ LYS 4 2HZ LYS 4 -7.894 7.397 7.950 32 3HZ LYS 4 3HZ LYS 4 -6.545 7.967 8.810 33 H TYR 5 HN TYR 5 -3.209 7.944 3.071 34 HA TYR 5 HA TYR 5 -1.494 5.966 1.941 35 1HB TYR 5 2HB TYR 5 -2.414 8.506 0.601 36 2HB TYR 5 1HB TYR 5 -2.022 6.962 -0.150 37 HD1 TYR 5 HD1 TYR 5 -4.588 8.945 1.431 38 HD2 TYR 5 HD2 TYR 5 -3.478 4.927 0.378 39 HE1 TYR 5 HE1 TYR 5 -6.944 8.218 1.711 40 HE2 TYR 5 HE2 TYR 5 -5.833 4.205 0.659 41 HH TYR 5 HH TYR 5 -8.046 5.752 2.300 42 H LEU 6 HN LEU 6 -0.906 9.146 3.161 43 HA LEU 6 HA LEU 6 1.760 9.135 1.829 44 1HB LEU 6 2HB LEU 6 -0.067 11.292 2.840 45 2HB LEU 6 1HB LEU 6 1.666 11.605 2.765 46 HG LEU 6 HG LEU 6 0.173 12.180 0.698 47 1HD1 LEU 6 1HD1 LEU 6 2.652 12.266 0.786 48 2HD1 LEU 6 2HD1 LEU 6 2.066 11.714 -0.783 49 3HD1 LEU 6 3HD1 LEU 6 2.709 10.551 0.377 50 1HD2 LEU 6 1HD2 LEU 6 -0.947 9.988 0.556 51 2HD2 LEU 6 2HD2 LEU 6 0.613 9.197 0.322 52 3HD2 LEU 6 3HD2 LEU 6 -0.010 10.301 -0.905 53 H HIS 7 HN HIS 7 0.419 8.181 4.669 54 HA HIS 7 HA HIS 7 2.965 8.726 6.112 55 1HB HIS 7 2HB HIS 7 0.307 8.841 7.531 56 2HB HIS 7 1HB HIS 7 1.874 9.433 8.085 57 HD1 HIS 7 HD1 HIS 7 2.883 11.268 6.072 58 HD2 HIS 7 HD2 HIS 7 -1.216 10.993 6.768 59 HE1 HIS 7 HE1 HIS 7 1.866 13.418 5.201 60 H SER 8 HN SER 8 1.301 6.379 4.791 61 HA SER 8 HA SER 8 2.278 4.391 6.655 62 1HB SER 8 2HB SER 8 -0.713 4.779 6.390 63 2HB SER 8 1HB SER 8 0.044 3.367 7.123 64 HG SER 8 HG SER 8 -0.247 5.947 8.071 65 H ALA 9 HN ALA 9 0.262 5.124 3.846 66 HA ALA 9 HA ALA 9 0.225 2.456 2.798 67 1HB ALA 9 1HB ALA 9 -0.187 3.559 0.612 68 2HB ALA 9 2HB ALA 9 0.141 5.128 1.352 69 3HB ALA 9 3HB ALA 9 -1.249 4.164 1.876 70 H LYS 10 HN LYS 10 2.102 5.199 1.559 71 HA LYS 10 HA LYS 10 3.935 4.143 -0.095 72 1HB LYS 10 2HB LYS 10 3.997 6.320 1.755 73 2HB LYS 10 1HB LYS 10 5.567 5.518 1.797 74 1HG LYS 10 2HG LYS 10 4.522 5.800 -0.922 75 2HG LYS 10 1HG LYS 10 4.748 7.352 -0.116 76 1HD LYS 10 2HD LYS 10 6.893 5.239 -0.009 77 2HD LYS 10 1HD LYS 10 6.771 6.332 -1.388 78 1HE LYS 10 HE2 LYS 10 6.523 7.900 0.982 79 2HE LYS 10 HE1 LYS 10 7.925 6.848 1.178 80 1HZ LYS 10 1HZ LYS 10 7.489 9.023 -0.687 81 2HZ LYS 10 2HZ LYS 10 8.238 7.646 -1.342 82 3HZ LYS 10 3HZ LYS 10 8.933 8.443 -0.013 83 H LYS 11 HN LYS 11 4.277 3.778 3.455 84 HA LYS 11 HA LYS 11 6.644 2.237 3.449 85 1HB LYS 11 2HB LYS 11 4.232 1.970 5.277 86 2HB LYS 11 1HB LYS 11 5.834 1.310 5.607 87 1HG LYS 11 2HG LYS 11 6.597 3.809 5.167 88 2HG LYS 11 1HG LYS 11 4.924 4.164 5.600 89 1HD LYS 11 2HD LYS 11 6.267 4.247 7.619 90 2HD LYS 11 1HD LYS 11 5.246 2.811 7.692 91 1HE LYS 11 HE2 LYS 11 7.049 1.469 7.798 92 2HE LYS 11 HE1 LYS 11 7.722 2.192 6.337 93 1HZ LYS 11 1HZ LYS 11 8.001 4.062 8.363 94 2HZ LYS 11 2HZ LYS 11 9.229 3.169 7.601 95 3HZ LYS 11 3HZ LYS 11 8.501 2.581 9.019 96 H PHE 12 HN PHE 12 3.320 0.924 3.688 97 HA PHE 12 HA PHE 12 4.164 -1.735 2.941 98 1HB PHE 12 2HB PHE 12 1.367 -0.585 2.722 99 2HB PHE 12 1HB PHE 12 1.820 -2.279 2.935 100 HD1 PHE 12 HD1 PHE 12 4.162 -1.439 4.924 101 HD2 PHE 12 HD2 PHE 12 -0.061 -0.678 4.752 102 HE1 PHE 12 HE1 PHE 12 4.115 -1.148 7.386 103 HE2 PHE 12 HE2 PHE 12 -0.109 -0.386 7.214 104 HZ PHE 12 HZ PHE 12 1.979 -0.623 8.532 105 H GLY 13 HN GLY 13 2.914 1.071 1.211 106 1HA GLY 13 2HA GLY 13 2.182 0.013 -1.246 107 2HA GLY 13 1HA GLY 13 3.029 1.551 -1.091 108 H LYS 14 HN LYS 14 5.470 0.512 -0.002 109 HA LYS 14 HA LYS 14 6.569 -0.655 -2.494 110 1HB LYS 14 2HB LYS 14 7.806 0.680 -0.089 111 2HB LYS 14 1HB LYS 14 8.787 -0.195 -1.265 112 1HG LYS 14 2HG LYS 14 7.621 1.242 -3.054 113 2HG LYS 14 1HG LYS 14 7.081 2.256 -1.714 114 1HD LYS 14 2HD LYS 14 9.068 3.324 -2.141 115 2HD LYS 14 1HD LYS 14 9.690 2.063 -1.077 116 1HE LYS 14 HE2 LYS 14 10.354 0.701 -2.947 117 2HE LYS 14 HE1 LYS 14 9.515 1.757 -4.084 118 1HZ LYS 14 1HZ LYS 14 11.421 3.128 -2.425 119 2HZ LYS 14 2HZ LYS 14 11.203 3.191 -4.108 120 3HZ LYS 14 3HZ LYS 14 12.127 1.946 -3.415 121 H ALA 15 HN ALA 15 5.553 -1.674 0.569 122 HA ALA 15 HA ALA 15 7.386 -4.016 0.479 123 1HB ALA 15 1HB ALA 15 6.306 -2.431 2.612 124 2HB ALA 15 2HB ALA 15 7.465 -3.757 2.710 125 3HB ALA 15 3HB ALA 15 5.736 -4.089 2.794 126 H TRP 16 HN TRP 16 3.927 -3.266 1.024 127 HA TRP 16 HA TRP 16 2.899 -5.856 0.978 128 1HB TRP 16 2HB TRP 16 0.806 -4.901 0.645 129 2HB TRP 16 1HB TRP 16 1.715 -3.540 1.287 130 HD1 TRP 16 HD1 TRP 16 1.536 -1.403 -0.079 131 HE1 TRP 16 HE1 TRP 16 0.916 -0.811 -2.512 132 HE3 TRP 16 HE3 TRP 16 0.904 -6.066 -1.937 133 HZ2 TRP 16 HZ2 TRP 16 0.231 -2.172 -4.950 134 HZ3 TRP 16 HZ3 TRP 16 0.271 -6.414 -4.319 135 HH2 TRP 16 HH2 TRP 16 -0.069 -4.484 -5.823 136 H VAL 17 HN VAL 17 3.683 -3.764 -1.791 137 HA VAL 17 HA VAL 17 2.703 -5.445 -3.827 138 HB VAL 17 HB VAL 17 3.874 -3.071 -3.878 139 1HG1 VAL 17 1HG1 VAL 17 6.107 -3.809 -3.255 140 2HG1 VAL 17 2HG1 VAL 17 6.135 -3.265 -4.931 141 3HG1 VAL 17 3HG1 VAL 17 6.120 -4.990 -4.566 142 1HG2 VAL 17 1HG2 VAL 17 3.451 -3.199 -6.108 143 2HG2 VAL 17 2HG2 VAL 17 2.875 -4.822 -5.730 144 3HG2 VAL 17 3HG2 VAL 17 4.519 -4.586 -6.326 145 H GLY 18 HN GLY 18 5.968 -5.443 -2.366 146 1HA GLY 18 2HA GLY 18 6.957 -7.686 -3.801 147 2HA GLY 18 1HA GLY 18 7.525 -7.193 -2.204 148 H GLU 19 HN GLU 19 4.476 -7.489 -1.465 149 HA GLU 19 HA GLU 19 4.739 -10.300 -0.607 150 1HB GLU 19 2HB GLU 19 2.525 -8.327 0.025 151 2HB GLU 19 1HB GLU 19 2.947 -9.794 0.924 152 1HG GLU 19 2HG GLU 19 4.482 -7.211 0.723 153 2HG GLU 19 1HG GLU 19 3.864 -7.992 2.173 154 H ILE 20 HN ILE 20 2.152 -8.266 -1.894 155 HA ILE 20 HA ILE 20 0.627 -10.515 -2.863 156 HB ILE 20 HB ILE 20 0.465 -7.538 -2.969 157 1HG1 ILE 20 2HG1 ILE 20 -1.359 -9.771 -2.081 158 2HG1 ILE 20 1HG1 ILE 20 -0.444 -8.663 -1.054 159 1HG2 ILE 20 1HG2 ILE 20 -0.123 -8.213 -5.266 160 2HG2 ILE 20 2HG2 ILE 20 -1.567 -7.687 -4.397 161 3HG2 ILE 20 3HG2 ILE 20 -1.260 -9.408 -4.634 162 1HD1 ILE 20 1HD1 ILE 20 -3.058 -8.294 -2.216 163 2HD1 ILE 20 2HD1 ILE 20 -1.961 -7.049 -2.813 164 3HD1 ILE 20 3HD1 ILE 20 -2.199 -7.255 -1.078 165 H MET 21 HN MET 21 2.476 -7.930 -4.480 166 HA MET 21 HA MET 21 2.044 -8.930 -7.116 167 1HB MET 21 2HB MET 21 3.388 -7.198 -7.805 168 2HB MET 21 1HB MET 21 3.033 -6.639 -6.168 169 1HG MET 21 2HG MET 21 5.303 -6.476 -6.022 170 2HG MET 21 1HG MET 21 5.195 -8.205 -5.680 171 1HE MET 21 1HE MET 21 5.041 -5.591 -8.134 172 2HE MET 21 2HE MET 21 5.320 -6.334 -9.707 173 3HE MET 21 3HE MET 21 6.680 -5.683 -8.795 174 H ASN 22 HN ASN 22 4.018 -10.082 -4.569 175 HA ASN 22 HA ASN 22 5.688 -11.651 -6.484 176 1HB ASN 22 2HB ASN 22 6.774 -10.249 -4.632 177 2HB ASN 22 1HB ASN 22 6.105 -11.427 -3.497 178 1HD2 ASN 22 1HD2 ASN 22 7.926 -12.646 -2.890 179 2HD2 ASN 22 2HD2 ASN 22 8.968 -13.424 -3.995 180 H SER 23 HN SER 23 3.336 -11.884 -3.888 181 HA SER 23 HA SER 23 3.567 -14.819 -3.759 182 1HB SER 23 2HB SER 23 1.647 -12.884 -2.429 183 2HB SER 23 1HB SER 23 1.691 -14.618 -2.126 184 HG SER 23 HG SER 23 3.142 -12.746 -0.989 185 1H GLY 1 1H GLY 1 6.825 -10.438 7.807 186 2H GLY 1 2H GLY 1 7.503 -10.722 9.339 187 3H GLY 1 3H GLY 1 7.048 -9.148 8.886 188 1HA GLY 1 2HA GLY 1 5.386 -11.396 9.757 189 2HA GLY 1 1HA GLY 1 5.258 -9.683 10.160 190 H ILE 2 HN ILE 2 2.908 -10.180 9.574 191 HA ILE 2 HA ILE 2 2.321 -9.069 6.996 192 HB ILE 2 HB ILE 2 3.047 -11.439 6.390 193 1HG1 ILE 2 2HG1 ILE 2 0.236 -11.353 5.546 194 2HG1 ILE 2 1HG1 ILE 2 1.062 -9.801 5.364 195 1HG2 ILE 2 1HG2 ILE 2 1.848 -13.271 7.108 196 2HG2 ILE 2 2HG2 ILE 2 0.351 -12.355 7.283 197 3HG2 ILE 2 3HG2 ILE 2 1.611 -12.228 8.511 198 1HD1 ILE 2 1HD1 ILE 2 1.580 -12.397 3.996 199 2HD1 ILE 2 2HD1 ILE 2 2.982 -11.400 4.382 200 3HD1 ILE 2 3HD1 ILE 2 1.693 -10.753 3.367 201 H GLY 3 HN GLY 3 -0.055 -8.973 6.626 202 1HA GLY 3 2HA GLY 3 -2.236 -9.790 7.804 203 2HA GLY 3 1HA GLY 3 -1.510 -9.035 9.225 204 H LYS 4 HN LYS 4 -0.387 -7.149 6.905 205 HA LYS 4 HA LYS 4 -2.857 -5.495 6.674 206 1HB LYS 4 2HB LYS 4 -0.987 -3.566 6.738 207 2HB LYS 4 1HB LYS 4 -1.791 -4.146 8.196 208 1HG LYS 4 2HG LYS 4 0.109 -5.859 8.380 209 2HG LYS 4 1HG LYS 4 0.945 -4.902 7.156 210 1HD LYS 4 2HD LYS 4 1.727 -4.028 9.214 211 2HD LYS 4 1HD LYS 4 0.493 -2.880 8.694 212 1HE LYS 4 HE2 LYS 4 -0.530 -5.140 10.293 213 2HE LYS 4 HE1 LYS 4 0.549 -4.052 11.165 214 1HZ LYS 4 1HZ LYS 4 -1.442 -2.770 9.494 215 2HZ LYS 4 2HZ LYS 4 -0.910 -2.369 11.057 216 3HZ LYS 4 3HZ LYS 4 -2.056 -3.605 10.835 217 H TYR 5 HN TYR 5 0.351 -6.309 5.449 218 HA TYR 5 HA TYR 5 0.276 -4.854 3.024 219 1HB TYR 5 2HB TYR 5 1.498 -7.591 3.370 220 2HB TYR 5 1HB TYR 5 2.064 -6.262 2.363 221 HD1 TYR 5 HD1 TYR 5 2.872 -4.114 3.502 222 HD2 TYR 5 HD2 TYR 5 2.213 -7.799 5.613 223 HE1 TYR 5 HE1 TYR 5 4.272 -3.294 5.376 224 HE2 TYR 5 HE2 TYR 5 3.610 -6.974 7.488 225 HH TYR 5 HH TYR 5 4.304 -3.960 8.075 226 H LEU 6 HN LEU 6 -1.413 -7.735 4.051 227 HA LEU 6 HA LEU 6 -2.302 -8.104 1.221 228 1HB LEU 6 2HB LEU 6 -1.952 -10.007 3.523 229 2HB LEU 6 1HB LEU 6 -3.073 -10.400 2.221 230 HG LEU 6 HG LEU 6 -0.546 -11.158 2.081 231 1HD1 LEU 6 1HD1 LEU 6 -0.704 -10.854 -0.437 232 2HD1 LEU 6 2HD1 LEU 6 -2.180 -9.930 -0.148 233 3HD1 LEU 6 3HD1 LEU 6 -2.097 -11.629 0.317 234 1HD2 LEU 6 1HD2 LEU 6 0.240 -8.759 2.424 235 2HD2 LEU 6 2HD2 LEU 6 -0.386 -8.409 0.812 236 3HD2 LEU 6 3HD2 LEU 6 0.921 -9.578 1.017 237 H HIS 7 HN HIS 7 -3.330 -6.842 4.153 238 HA HIS 7 HA HIS 7 -6.160 -7.162 3.272 239 1HB HIS 7 2HB HIS 7 -5.498 -7.109 6.201 240 2HB HIS 7 1HB HIS 7 -6.925 -7.759 5.394 241 HD1 HIS 7 HD1 HIS 7 -6.267 -9.885 3.683 242 HD2 HIS 7 HD2 HIS 7 -3.725 -9.093 6.887 243 HE1 HIS 7 HE1 HIS 7 -4.897 -11.984 4.043 244 H SER 8 HN SER 8 -3.707 -5.047 3.852 245 HA SER 8 HA SER 8 -5.662 -2.860 4.297 246 1HB SER 8 2HB SER 8 -3.221 -3.416 5.978 247 2HB SER 8 1HB SER 8 -3.880 -1.789 5.837 248 HG SER 8 HG SER 8 -4.693 -3.168 7.609 249 H ALA 9 HN ALA 9 -2.394 -3.836 3.378 250 HA ALA 9 HA ALA 9 -1.653 -1.301 2.241 251 1HB ALA 9 1HB ALA 9 0.018 -3.022 2.767 252 2HB ALA 9 2HB ALA 9 0.082 -2.605 1.056 253 3HB ALA 9 3HB ALA 9 -0.703 -4.103 1.570 254 H LYS 10 HN LYS 10 -2.490 -4.354 0.580 255 HA LYS 10 HA LYS 10 -2.760 -3.621 -2.016 256 1HB LYS 10 2HB LYS 10 -4.705 -5.114 -2.243 257 2HB LYS 10 1HB LYS 10 -3.478 -5.826 -1.194 258 1HG LYS 10 2HG LYS 10 -4.787 -4.763 0.756 259 2HG LYS 10 1HG LYS 10 -6.095 -4.542 -0.406 260 1HD LYS 10 2HD LYS 10 -4.932 -7.236 -0.472 261 2HD LYS 10 1HD LYS 10 -5.661 -6.828 1.082 262 1HE LYS 10 HE2 LYS 10 -7.637 -5.930 -0.400 263 2HE LYS 10 HE1 LYS 10 -6.951 -6.996 -1.625 264 1HZ LYS 10 1HZ LYS 10 -8.346 -7.652 0.819 265 2HZ LYS 10 2HZ LYS 10 -6.946 -8.574 0.539 266 3HZ LYS 10 3HZ LYS 10 -8.190 -8.542 -0.616 267 H LYS 11 HN LYS 11 -5.296 -2.871 0.408 268 HA LYS 11 HA LYS 11 -7.041 -1.486 -1.342 269 1HB LYS 11 2HB LYS 11 -6.450 -0.935 1.587 270 2HB LYS 11 1HB LYS 11 -7.837 -0.301 0.700 271 1HG LYS 11 2HG LYS 11 -7.222 -3.253 1.034 272 2HG LYS 11 1HG LYS 11 -8.384 -2.359 2.015 273 1HD LYS 11 2HD LYS 11 -9.733 -1.852 0.067 274 2HD LYS 11 1HD LYS 11 -8.521 -2.551 -1.007 275 1HE LYS 11 HE2 LYS 11 -9.202 -4.678 -0.589 276 2HE LYS 11 HE1 LYS 11 -9.432 -4.365 1.131 277 1HZ LYS 11 1HZ LYS 11 -11.537 -4.811 0.069 278 2HZ LYS 11 2HZ LYS 11 -11.275 -3.566 -1.058 279 3HZ LYS 11 3HZ LYS 11 -11.492 -3.197 0.587 280 H PHE 12 HN PHE 12 -4.626 0.006 0.858 281 HA PHE 12 HA PHE 12 -4.757 2.557 -0.468 282 1HB PHE 12 2HB PHE 12 -2.330 1.608 1.042 283 2HB PHE 12 1HB PHE 12 -3.044 3.224 0.995 284 HD1 PHE 12 HD1 PHE 12 -2.364 1.148 3.378 285 HD2 PHE 12 HD2 PHE 12 -5.935 2.475 1.394 286 HE1 PHE 12 HE1 PHE 12 -3.686 0.624 5.409 287 HE2 PHE 12 HE2 PHE 12 -7.258 1.951 3.425 288 HZ PHE 12 HZ PHE 12 -6.133 1.025 5.434 289 H GLY 13 HN GLY 13 -2.954 -0.387 -1.025 290 1HA GLY 13 2HA GLY 13 -0.773 0.514 -2.525 291 2HA GLY 13 1HA GLY 13 -1.639 -0.982 -2.886 292 H LYS 14 HN LYS 14 -4.139 0.049 -3.580 293 HA LYS 14 HA LYS 14 -3.514 1.129 -6.249 294 1HB LYS 14 2HB LYS 14 -6.126 0.267 -4.968 295 2HB LYS 14 1HB LYS 14 -5.958 0.782 -6.648 296 1HG LYS 14 2HG LYS 14 -3.979 -1.236 -5.958 297 2HG LYS 14 1HG LYS 14 -5.618 -1.818 -5.668 298 1HD LYS 14 2HD LYS 14 -5.475 -2.328 -7.905 299 2HD LYS 14 1HD LYS 14 -6.018 -0.656 -8.056 300 1HE LYS 14 HE2 LYS 14 -3.254 -0.436 -7.767 301 2HE LYS 14 HE1 LYS 14 -3.462 -1.843 -8.811 302 1HZ LYS 14 1HZ LYS 14 -4.204 0.949 -9.278 303 2HZ LYS 14 2HZ LYS 14 -5.192 -0.257 -9.952 304 3HZ LYS 14 3HZ LYS 14 -3.542 -0.189 -10.348 305 H ALA 15 HN ALA 15 -4.722 2.300 -3.200 306 HA ALA 15 HA ALA 15 -5.820 4.746 -4.463 307 1HB ALA 15 1HB ALA 15 -6.021 3.440 -1.811 308 2HB ALA 15 2HB ALA 15 -7.234 4.344 -2.718 309 3HB ALA 15 3HB ALA 15 -6.005 5.204 -1.788 310 H TRP 16 HN TRP 16 -3.344 3.883 -2.039 311 HA TRP 16 HA TRP 16 -2.295 6.508 -1.736 312 1HB TRP 16 2HB TRP 16 -0.704 5.531 -0.392 313 2HB TRP 16 1HB TRP 16 -1.865 4.210 -0.434 314 HD1 TRP 16 HD1 TRP 16 -0.842 1.959 -1.035 315 HE1 TRP 16 HE1 TRP 16 1.234 1.157 -2.342 316 HE3 TRP 16 HE3 TRP 16 1.001 6.438 -2.506 317 HZ2 TRP 16 HZ2 TRP 16 3.415 2.301 -3.822 318 HZ3 TRP 16 HZ3 TRP 16 3.060 6.580 -3.861 319 HH2 TRP 16 HH2 TRP 16 4.283 4.525 -4.520 320 H VAL 17 HN VAL 17 -1.306 3.855 -3.926 321 HA VAL 17 HA VAL 17 0.834 5.351 -5.097 322 HB VAL 17 HB VAL 17 0.069 2.773 -5.311 323 1HG1 VAL 17 1HG1 VAL 17 -0.967 4.102 -7.831 324 2HG1 VAL 17 2HG1 VAL 17 -1.922 3.209 -6.648 325 3HG1 VAL 17 3HG1 VAL 17 -0.730 2.365 -7.636 326 1HG2 VAL 17 1HG2 VAL 17 1.925 2.563 -6.646 327 2HG2 VAL 17 2HG2 VAL 17 2.137 4.257 -6.198 328 3HG2 VAL 17 3HG2 VAL 17 1.404 3.838 -7.748 329 H GLY 18 HN GLY 18 -2.558 4.898 -6.132 330 1HA GLY 18 2HA GLY 18 -2.432 6.606 -8.407 331 2HA GLY 18 1HA GLY 18 -3.897 6.294 -7.470 332 H GLU 19 HN GLU 19 -2.087 7.279 -5.089 333 HA GLU 19 HA GLU 19 -2.957 10.078 -5.276 334 1HB GLU 19 2HB GLU 19 -3.479 9.254 -3.158 335 2HB GLU 19 1HB GLU 19 -2.080 8.178 -3.130 336 1HG GLU 19 2HG GLU 19 -1.942 10.132 -1.538 337 2HG GLU 19 1HG GLU 19 -0.590 9.980 -2.661 338 H ILE 20 HN ILE 20 0.010 8.513 -4.044 339 HA ILE 20 HA ILE 20 1.572 10.872 -4.670 340 HB ILE 20 HB ILE 20 2.313 8.094 -3.783 341 1HG1 ILE 20 2HG1 ILE 20 2.328 10.765 -2.362 342 2HG1 ILE 20 1HG1 ILE 20 1.117 9.498 -2.152 343 1HG2 ILE 20 1HG2 ILE 20 4.581 8.934 -3.426 344 2HG2 ILE 20 2HG2 ILE 20 4.109 10.520 -4.039 345 3HG2 ILE 20 3HG2 ILE 20 4.139 9.128 -5.122 346 1HD1 ILE 20 1HD1 ILE 20 3.767 9.718 -0.968 347 2HD1 ILE 20 2HD1 ILE 20 3.553 8.180 -1.806 348 3HD1 ILE 20 3HD1 ILE 20 2.431 8.652 -0.529 349 H MET 21 HN MET 21 1.199 7.657 -6.116 350 HA MET 21 HA MET 21 3.265 7.934 -8.061 351 1HB MET 21 2HB MET 21 1.509 5.945 -7.341 352 2HB MET 21 1HB MET 21 0.915 6.403 -8.942 353 1HG MET 21 2HG MET 21 3.831 5.837 -8.351 354 2HG MET 21 1HG MET 21 2.708 4.606 -8.937 355 1HE MET 21 1HE MET 21 1.483 4.563 -10.833 356 2HE MET 21 2HE MET 21 2.983 4.087 -11.626 357 3HE MET 21 3HE MET 21 1.917 5.257 -12.401 358 H ASN 22 HN ASN 22 0.115 9.391 -7.858 359 HA ASN 22 HA ASN 22 0.329 10.174 -10.733 360 1HB ASN 22 2HB ASN 22 -1.980 10.369 -10.826 361 2HB ASN 22 1HB ASN 22 -1.826 9.094 -9.615 362 1HD2 ASN 22 1HD2 ASN 22 -4.016 11.132 -9.905 363 2HD2 ASN 22 2HD2 ASN 22 -4.058 11.967 -8.418 364 H SER 23 HN SER 23 0.600 11.351 -7.510 365 HA SER 23 HA SER 23 0.672 14.155 -8.556 366 1HB SER 23 2HB SER 23 0.080 13.218 -5.734 367 2HB SER 23 1HB SER 23 0.095 14.891 -6.283 368 HG SER 23 HG SER 23 -1.686 14.510 -7.499 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -9.450 11.187 0.030 2 2H GLY 1 2H GLY 1 -10.397 11.910 1.241 3 3H GLY 1 3H GLY 1 -9.317 10.659 1.636 4 1HA GLY 1 2HA GLY 1 -8.500 13.305 0.563 5 2HA GLY 1 1HA GLY 1 -8.477 12.869 2.274 6 H ILE 2 HN ILE 2 -6.219 12.916 2.536 7 HA ILE 2 HA ILE 2 -4.811 10.571 1.458 8 HB ILE 2 HB ILE 2 -2.872 12.447 0.981 9 1HG1 ILE 2 2HG1 ILE 2 -5.532 13.612 0.086 10 2HG1 ILE 2 1HG1 ILE 2 -4.432 14.321 1.274 11 1HG2 ILE 2 1HG2 ILE 2 -3.293 11.991 -1.384 12 2HG2 ILE 2 2HG2 ILE 2 -4.932 11.457 -1.014 13 3HG2 ILE 2 3HG2 ILE 2 -3.550 10.521 -0.445 14 1HD1 ILE 2 1HD1 ILE 2 -2.668 14.429 -0.495 15 2HD1 ILE 2 2HD1 ILE 2 -4.082 15.410 -0.878 16 3HD1 ILE 2 3HD1 ILE 2 -3.852 13.849 -1.666 17 H GLY 3 HN GLY 3 -5.152 10.351 3.907 18 1HA GLY 3 2HA GLY 3 -2.867 11.675 5.313 19 2HA GLY 3 1HA GLY 3 -4.391 11.310 6.127 20 H LYS 4 HN LYS 4 -3.797 8.859 3.984 21 HA LYS 4 HA LYS 4 -2.170 7.283 5.923 22 1HB LYS 4 2HB LYS 4 -4.051 5.539 4.645 23 2HB LYS 4 1HB LYS 4 -3.880 5.880 6.365 24 1HG LYS 4 2HG LYS 4 -5.217 8.050 5.840 25 2HG LYS 4 1HG LYS 4 -5.673 7.224 4.349 26 1HD LYS 4 2HD LYS 4 -7.393 6.658 5.877 27 2HD LYS 4 1HD LYS 4 -6.336 5.245 5.868 28 1HE LYS 4 HE2 LYS 4 -5.519 7.279 7.816 29 2HE LYS 4 HE1 LYS 4 -7.127 6.627 8.127 30 1HZ LYS 4 1HZ LYS 4 -6.325 4.536 8.452 31 2HZ LYS 4 2HZ LYS 4 -4.993 5.430 9.012 32 3HZ LYS 4 3HZ LYS 4 -4.976 4.759 7.450 33 H TYR 5 HN TYR 5 -3.360 7.746 2.639 34 HA TYR 5 HA TYR 5 -1.684 5.699 1.459 35 1HB TYR 5 2HB TYR 5 -2.717 8.003 -0.131 36 2HB TYR 5 1HB TYR 5 -2.674 6.286 -0.524 37 HD1 TYR 5 HD1 TYR 5 -4.158 4.712 0.946 38 HD2 TYR 5 HD2 TYR 5 -4.747 8.948 0.572 39 HE1 TYR 5 HE1 TYR 5 -6.503 4.450 1.706 40 HE2 TYR 5 HE2 TYR 5 -7.093 8.691 1.333 41 HH TYR 5 HH TYR 5 -8.412 5.480 2.165 42 H LEU 6 HN LEU 6 -1.217 8.975 2.476 43 HA LEU 6 HA LEU 6 1.379 9.008 0.989 44 1HB LEU 6 2HB LEU 6 -0.516 11.181 1.851 45 2HB LEU 6 1HB LEU 6 1.188 11.549 1.589 46 HG LEU 6 HG LEU 6 -0.509 11.779 -0.392 47 1HD1 LEU 6 1HD1 LEU 6 1.922 12.059 -0.583 48 2HD1 LEU 6 2HD1 LEU 6 1.305 11.152 -1.964 49 3HD1 LEU 6 3HD1 LEU 6 2.129 10.309 -0.650 50 1HD2 LEU 6 1HD2 LEU 6 0.207 8.844 -0.653 51 2HD2 LEU 6 2HD2 LEU 6 -0.893 9.781 -1.668 52 3HD2 LEU 6 3HD2 LEU 6 -1.343 9.390 -0.008 53 H HIS 7 HN HIS 7 0.252 8.204 3.909 54 HA HIS 7 HA HIS 7 2.773 9.022 5.222 55 1HB HIS 7 2HB HIS 7 0.252 9.408 6.790 56 2HB HIS 7 1HB HIS 7 1.806 10.226 6.952 57 HD1 HIS 7 HD1 HIS 7 2.165 12.360 5.592 58 HD2 HIS 7 HD2 HIS 7 -1.339 10.366 4.545 59 HE1 HIS 7 HE1 HIS 7 0.921 13.880 3.989 60 H SER 8 HN SER 8 1.043 6.567 4.308 61 HA SER 8 HA SER 8 1.927 4.866 6.503 62 1HB SER 8 2HB SER 8 -0.373 5.801 7.189 63 2HB SER 8 1HB SER 8 -1.029 4.836 5.870 64 HG SER 8 HG SER 8 0.656 3.788 7.896 65 H ALA 9 HN ALA 9 0.060 5.180 3.510 66 HA ALA 9 HA ALA 9 0.145 2.426 2.770 67 1HB ALA 9 1HB ALA 9 -1.305 3.911 1.553 68 2HB ALA 9 2HB ALA 9 -0.092 3.321 0.425 69 3HB ALA 9 3HB ALA 9 0.048 4.949 1.091 70 H LYS 10 HN LYS 10 2.112 5.075 1.406 71 HA LYS 10 HA LYS 10 4.030 3.941 -0.059 72 1HB LYS 10 2HB LYS 10 4.012 6.198 1.595 73 2HB LYS 10 1HB LYS 10 5.472 5.317 2.049 74 1HG LYS 10 2HG LYS 10 5.712 5.091 -0.601 75 2HG LYS 10 1HG LYS 10 4.757 6.574 -0.562 76 1HD LYS 10 2HD LYS 10 7.133 7.142 -0.521 77 2HD LYS 10 1HD LYS 10 6.406 7.552 1.033 78 1HE LYS 10 HE2 LYS 10 7.622 5.993 2.153 79 2HE LYS 10 HE1 LYS 10 7.435 4.795 0.871 80 1HZ LYS 10 1HZ LYS 10 9.007 6.566 -0.332 81 2HZ LYS 10 2HZ LYS 10 9.599 5.237 0.545 82 3HZ LYS 10 3HZ LYS 10 9.522 6.772 1.270 83 H LYS 11 HN LYS 11 4.311 3.747 3.518 84 HA LYS 11 HA LYS 11 6.553 2.080 3.660 85 1HB LYS 11 2HB LYS 11 4.049 2.108 5.369 86 2HB LYS 11 1HB LYS 11 5.478 1.155 5.771 87 1HG LYS 11 2HG LYS 11 6.029 3.981 5.107 88 2HG LYS 11 1HG LYS 11 5.089 3.739 6.580 89 1HD LYS 11 2HD LYS 11 6.788 2.181 7.431 90 2HD LYS 11 1HD LYS 11 7.721 2.369 5.946 91 1HE LYS 11 HE2 LYS 11 8.381 4.534 6.472 92 2HE LYS 11 HE1 LYS 11 6.978 4.820 7.503 93 1HZ LYS 11 1HZ LYS 11 7.889 3.504 9.203 94 2HZ LYS 11 2HZ LYS 11 9.167 4.486 8.668 95 3HZ LYS 11 3HZ LYS 11 9.086 2.857 8.191 96 H PHE 12 HN PHE 12 3.180 0.861 3.798 97 HA PHE 12 HA PHE 12 4.020 -1.825 3.106 98 1HB PHE 12 2HB PHE 12 1.203 -0.888 2.668 99 2HB PHE 12 1HB PHE 12 1.780 -2.415 3.346 100 HD1 PHE 12 HD1 PHE 12 3.788 -1.286 5.312 101 HD2 PHE 12 HD2 PHE 12 -0.261 -0.167 4.416 102 HE1 PHE 12 HE1 PHE 12 3.536 -0.368 7.602 103 HE2 PHE 12 HE2 PHE 12 -0.514 0.750 6.706 104 HZ PHE 12 HZ PHE 12 1.385 0.650 8.299 105 H GLY 13 HN GLY 13 2.713 0.948 1.333 106 1HA GLY 13 2HA GLY 13 2.060 -0.133 -1.128 107 2HA GLY 13 1HA GLY 13 2.895 1.412 -0.973 108 H LYS 14 HN LYS 14 5.273 0.258 0.271 109 HA LYS 14 HA LYS 14 6.505 -0.802 -2.212 110 1HB LYS 14 2HB LYS 14 7.578 0.409 0.330 111 2HB LYS 14 1HB LYS 14 8.639 -0.482 -0.760 112 1HG LYS 14 2HG LYS 14 8.478 2.061 -1.125 113 2HG LYS 14 1HG LYS 14 8.263 1.041 -2.545 114 1HD LYS 14 2HD LYS 14 5.857 1.256 -2.421 115 2HD LYS 14 1HD LYS 14 5.968 2.091 -0.872 116 1HE LYS 14 HE2 LYS 14 5.608 3.634 -2.825 117 2HE LYS 14 HE1 LYS 14 7.067 3.987 -1.898 118 1HZ LYS 14 1HZ LYS 14 7.369 2.096 -4.078 119 2HZ LYS 14 2HZ LYS 14 8.399 3.350 -3.575 120 3HZ LYS 14 3HZ LYS 14 7.041 3.695 -4.537 121 H ALA 15 HN ALA 15 5.547 -1.837 0.968 122 HA ALA 15 HA ALA 15 7.171 -4.311 0.731 123 1HB ALA 15 1HB ALA 15 5.522 -4.431 3.027 124 2HB ALA 15 2HB ALA 15 6.102 -2.769 2.923 125 3HB ALA 15 3HB ALA 15 7.255 -4.104 2.972 126 H TRP 16 HN TRP 16 3.761 -3.335 1.154 127 HA TRP 16 HA TRP 16 2.675 -5.959 0.929 128 1HB TRP 16 2HB TRP 16 0.619 -4.923 0.991 129 2HB TRP 16 1HB TRP 16 1.606 -3.590 1.579 130 HD1 TRP 16 HD1 TRP 16 1.243 -1.391 0.332 131 HE1 TRP 16 HE1 TRP 16 0.378 -0.716 -2.004 132 HE3 TRP 16 HE3 TRP 16 0.469 -5.986 -1.638 133 HZ2 TRP 16 HZ2 TRP 16 -0.525 -1.993 -4.416 134 HZ3 TRP 16 HZ3 TRP 16 -0.381 -6.256 -3.939 135 HH2 TRP 16 HH2 TRP 16 -0.885 -4.277 -5.342 136 H VAL 17 HN VAL 17 3.351 -3.468 -1.527 137 HA VAL 17 HA VAL 17 2.300 -5.059 -3.685 138 HB VAL 17 HB VAL 17 3.048 -2.462 -3.488 139 1HG1 VAL 17 1HG1 VAL 17 5.051 -2.129 -4.955 140 2HG1 VAL 17 2HG1 VAL 17 5.365 -3.862 -4.852 141 3HG1 VAL 17 3HG1 VAL 17 5.439 -2.865 -3.399 142 1HG2 VAL 17 1HG2 VAL 17 3.326 -3.773 -6.173 143 2HG2 VAL 17 2HG2 VAL 17 2.464 -2.298 -5.737 144 3HG2 VAL 17 3HG2 VAL 17 1.788 -3.872 -5.314 145 H GLY 18 HN GLY 18 5.632 -4.510 -2.499 146 1HA GLY 18 2HA GLY 18 6.915 -6.328 -4.273 147 2HA GLY 18 1HA GLY 18 7.505 -5.928 -2.654 148 H GLU 19 HN GLU 19 4.636 -6.839 -1.786 149 HA GLU 19 HA GLU 19 5.393 -9.619 -1.255 150 1HB GLU 19 2HB GLU 19 4.501 -8.601 0.670 151 2HB GLU 19 1HB GLU 19 3.324 -7.672 -0.261 152 1HG GLU 19 2HG GLU 19 2.286 -9.523 1.048 153 2HG GLU 19 1HG GLU 19 2.009 -9.654 -0.687 154 H ILE 20 HN ILE 20 2.272 -8.130 -2.118 155 HA ILE 20 HA ILE 20 1.407 -10.513 -3.476 156 HB ILE 20 HB ILE 20 0.360 -7.692 -3.578 157 1HG1 ILE 20 2HG1 ILE 20 -0.838 -10.030 -2.105 158 2HG1 ILE 20 1HG1 ILE 20 0.398 -9.010 -1.358 159 1HG2 ILE 20 1HG2 ILE 20 -0.470 -10.196 -4.915 160 2HG2 ILE 20 2HG2 ILE 20 -0.759 -8.521 -5.385 161 3HG2 ILE 20 3HG2 ILE 20 -1.769 -9.278 -4.153 162 1HD1 ILE 20 1HD1 ILE 20 -1.274 -7.609 -0.775 163 2HD1 ILE 20 2HD1 ILE 20 -2.428 -8.447 -1.812 164 3HD1 ILE 20 3HD1 ILE 20 -1.391 -7.189 -2.483 165 H MET 21 HN MET 21 2.467 -7.317 -4.644 166 HA MET 21 HA MET 21 2.177 -7.767 -7.396 167 1HB MET 21 2HB MET 21 3.222 -5.741 -5.880 168 2HB MET 21 1HB MET 21 4.674 -6.374 -6.666 169 1HG MET 21 2HG MET 21 2.237 -5.994 -8.351 170 2HG MET 21 1HG MET 21 3.123 -4.548 -7.856 171 1HE MET 21 1HE MET 21 5.581 -4.750 -7.554 172 2HE MET 21 2HE MET 21 5.737 -3.936 -9.108 173 3HE MET 21 3HE MET 21 6.708 -5.366 -8.770 174 H ASN 22 HN ASN 22 4.391 -9.232 -5.169 175 HA ASN 22 HA ASN 22 6.245 -10.110 -7.286 176 1HB ASN 22 2HB ASN 22 6.198 -10.092 -4.361 177 2HB ASN 22 1HB ASN 22 6.789 -11.621 -5.020 178 1HD2 ASN 22 1HD2 ASN 22 7.202 -8.089 -5.696 179 2HD2 ASN 22 2HD2 ASN 22 8.881 -8.198 -5.974 180 H SER 23 HN SER 23 3.594 -11.434 -5.355 181 HA SER 23 HA SER 23 3.881 -14.012 -6.836 182 1HB SER 23 2HB SER 23 2.321 -13.391 -4.310 183 2HB SER 23 1HB SER 23 2.466 -14.977 -5.063 184 HG SER 23 HG SER 23 4.583 -15.039 -4.537 185 1H GLY 1 1H GLY 1 5.264 -13.890 9.922 186 2H GLY 1 2H GLY 1 5.782 -13.004 8.567 187 3H GLY 1 3H GLY 1 4.613 -14.225 8.393 188 1HA GLY 1 2HA GLY 1 3.343 -12.742 10.150 189 2HA GLY 1 1HA GLY 1 4.326 -11.495 9.380 190 H ILE 2 HN ILE 2 3.531 -10.637 7.528 191 HA ILE 2 HA ILE 2 2.201 -10.364 5.617 192 HB ILE 2 HB ILE 2 1.947 -13.381 5.622 193 1HG1 ILE 2 2HG1 ILE 2 4.050 -12.094 3.986 194 2HG1 ILE 2 1HG1 ILE 2 4.343 -12.069 5.728 195 1HG2 ILE 2 1HG2 ILE 2 2.302 -11.955 3.094 196 2HG2 ILE 2 2HG2 ILE 2 0.874 -11.409 3.975 197 3HG2 ILE 2 3HG2 ILE 2 1.056 -13.114 3.561 198 1HD1 ILE 2 1HD1 ILE 2 3.835 -14.490 3.983 199 2HD1 ILE 2 2HD1 ILE 2 3.814 -14.550 5.745 200 3HD1 ILE 2 3HD1 ILE 2 5.296 -14.113 4.895 201 H GLY 3 HN GLY 3 0.762 -9.660 7.610 202 1HA GLY 3 2HA GLY 3 -1.864 -10.982 7.193 203 2HA GLY 3 1HA GLY 3 -1.298 -10.760 8.854 204 H LYS 4 HN LYS 4 -0.407 -8.425 6.494 205 HA LYS 4 HA LYS 4 -2.630 -6.613 7.240 206 1HB LYS 4 2HB LYS 4 -0.723 -4.802 7.460 207 2HB LYS 4 1HB LYS 4 -1.129 -5.815 8.845 208 1HG LYS 4 2HG LYS 4 0.793 -7.195 7.210 209 2HG LYS 4 1HG LYS 4 1.388 -5.572 7.553 210 1HD LYS 4 2HD LYS 4 0.176 -7.128 9.801 211 2HD LYS 4 1HD LYS 4 1.799 -7.567 9.264 212 1HE LYS 4 HE2 LYS 4 2.700 -5.499 9.855 213 2HE LYS 4 HE1 LYS 4 1.145 -4.676 9.742 214 1HZ LYS 4 1HZ LYS 4 1.235 -4.857 11.969 215 2HZ LYS 4 2HZ LYS 4 2.294 -6.186 11.943 216 3HZ LYS 4 3HZ LYS 4 0.631 -6.414 11.677 217 H TYR 5 HN TYR 5 0.388 -7.007 5.386 218 HA TYR 5 HA TYR 5 -0.208 -5.095 3.377 219 1HB TYR 5 2HB TYR 5 1.344 -7.635 2.924 220 2HB TYR 5 1HB TYR 5 1.557 -6.065 2.155 221 HD1 TYR 5 HD1 TYR 5 2.325 -8.117 5.056 222 HD2 TYR 5 HD2 TYR 5 2.476 -4.133 3.456 223 HE1 TYR 5 HE1 TYR 5 3.948 -7.471 6.817 224 HE2 TYR 5 HE2 TYR 5 4.099 -3.488 5.218 225 HH TYR 5 HH TYR 5 4.601 -4.443 7.688 226 H LEU 6 HN LEU 6 -1.529 -8.208 4.016 227 HA LEU 6 HA LEU 6 -2.638 -8.282 1.249 228 1HB LEU 6 2HB LEU 6 -2.040 -10.380 3.316 229 2HB LEU 6 1HB LEU 6 -3.288 -10.692 2.111 230 HG LEU 6 HG LEU 6 -0.795 -11.378 1.629 231 1HD1 LEU 6 1HD1 LEU 6 -1.293 -11.337 -0.671 232 2HD1 LEU 6 2HD1 LEU 6 -2.189 -9.823 -0.543 233 3HD1 LEU 6 3HD1 LEU 6 -2.881 -11.314 0.094 234 1HD2 LEU 6 1HD2 LEU 6 -0.816 -8.443 0.843 235 2HD2 LEU 6 2HD2 LEU 6 0.442 -9.603 0.422 236 3HD2 LEU 6 3HD2 LEU 6 0.178 -9.163 2.109 237 H HIS 7 HN HIS 7 -3.467 -7.287 4.308 238 HA HIS 7 HA HIS 7 -6.356 -7.657 3.669 239 1HB HIS 7 2HB HIS 7 -5.365 -7.796 6.510 240 2HB HIS 7 1HB HIS 7 -6.893 -8.373 5.842 241 HD1 HIS 7 HD1 HIS 7 -6.380 -10.290 3.791 242 HD2 HIS 7 HD2 HIS 7 -3.655 -9.911 6.919 243 HE1 HIS 7 HE1 HIS 7 -5.039 -12.438 3.835 244 H SER 8 HN SER 8 -4.213 -5.408 3.632 245 HA SER 8 HA SER 8 -6.030 -3.325 4.486 246 1HB SER 8 2HB SER 8 -4.089 -4.317 6.397 247 2HB SER 8 1HB SER 8 -3.787 -2.623 6.023 248 HG SER 8 HG SER 8 -6.041 -2.267 6.444 249 H ALA 9 HN ALA 9 -2.719 -4.205 3.582 250 HA ALA 9 HA ALA 9 -1.967 -1.574 2.698 251 1HB ALA 9 1HB ALA 9 -0.289 -3.306 3.101 252 2HB ALA 9 2HB ALA 9 -0.198 -2.746 1.437 253 3HB ALA 9 3HB ALA 9 -0.963 -4.297 1.799 254 H LYS 10 HN LYS 10 -2.754 -4.449 0.729 255 HA LYS 10 HA LYS 10 -2.931 -3.445 -1.793 256 1HB LYS 10 2HB LYS 10 -4.381 -5.512 -0.354 257 2HB LYS 10 1HB LYS 10 -5.387 -4.767 -1.598 258 1HG LYS 10 2HG LYS 10 -2.575 -5.440 -2.334 259 2HG LYS 10 1HG LYS 10 -3.713 -6.779 -2.167 260 1HD LYS 10 2HD LYS 10 -4.352 -4.321 -3.807 261 2HD LYS 10 1HD LYS 10 -3.542 -5.728 -4.498 262 1HE LYS 10 HE2 LYS 10 -6.187 -5.864 -3.027 263 2HE LYS 10 HE1 LYS 10 -6.044 -5.752 -4.782 264 1HZ LYS 10 1HZ LYS 10 -5.559 -7.898 -4.916 265 2HZ LYS 10 2HZ LYS 10 -5.977 -8.043 -3.276 266 3HZ LYS 10 3HZ LYS 10 -4.358 -7.785 -3.723 267 H LYS 11 HN LYS 11 -5.511 -2.974 0.648 268 HA LYS 11 HA LYS 11 -7.298 -1.470 -0.921 269 1HB LYS 11 2HB LYS 11 -6.664 -0.699 1.928 270 2HB LYS 11 1HB LYS 11 -8.222 -0.669 1.103 271 1HG LYS 11 2HG LYS 11 -7.688 -3.289 0.863 272 2HG LYS 11 1HG LYS 11 -6.775 -2.962 2.336 273 1HD LYS 11 2HD LYS 11 -8.790 -1.940 3.349 274 2HD LYS 11 1HD LYS 11 -9.703 -2.314 1.886 275 1HE LYS 11 HE2 LYS 11 -9.117 -4.738 2.229 276 2HE LYS 11 HE1 LYS 11 -8.415 -4.293 3.784 277 1HZ LYS 11 1HZ LYS 11 -11.019 -3.193 3.460 278 2HZ LYS 11 2HZ LYS 11 -10.416 -4.187 4.699 279 3HZ LYS 11 3HZ LYS 11 -11.047 -4.879 3.281 280 H PHE 12 HN PHE 12 -4.666 -0.199 1.152 281 HA PHE 12 HA PHE 12 -4.847 2.469 0.061 282 1HB PHE 12 2HB PHE 12 -2.344 1.308 1.281 283 2HB PHE 12 1HB PHE 12 -2.955 2.963 1.382 284 HD1 PHE 12 HD1 PHE 12 -2.430 0.209 3.326 285 HD2 PHE 12 HD2 PHE 12 -5.627 2.865 2.243 286 HE1 PHE 12 HE1 PHE 12 -3.614 -0.359 5.430 287 HE2 PHE 12 HE2 PHE 12 -6.811 2.299 4.347 288 HZ PHE 12 HZ PHE 12 -5.804 0.686 5.941 289 H GLY 13 HN GLY 13 -3.099 -0.454 -0.791 290 1HA GLY 13 2HA GLY 13 -1.065 0.440 -2.445 291 2HA GLY 13 1HA GLY 13 -2.038 -0.977 -2.831 292 H LYS 14 HN LYS 14 -4.523 0.196 -3.260 293 HA LYS 14 HA LYS 14 -4.047 1.457 -5.881 294 1HB LYS 14 2HB LYS 14 -6.508 0.439 -4.450 295 2HB LYS 14 1HB LYS 14 -6.607 1.315 -5.978 296 1HG LYS 14 2HG LYS 14 -4.577 -0.639 -6.300 297 2HG LYS 14 1HG LYS 14 -5.946 -1.452 -5.539 298 1HD LYS 14 2HD LYS 14 -7.403 -0.930 -7.303 299 2HD LYS 14 1HD LYS 14 -6.380 0.386 -7.882 300 1HE LYS 14 HE2 LYS 14 -4.640 -1.312 -8.494 301 2HE LYS 14 HE1 LYS 14 -5.785 -2.580 -8.057 302 1HZ LYS 14 1HZ LYS 14 -7.307 -1.773 -9.712 303 2HZ LYS 14 2HZ LYS 14 -5.802 -2.070 -10.440 304 3HZ LYS 14 3HZ LYS 14 -6.281 -0.477 -10.093 305 H ALA 15 HN ALA 15 -4.870 2.440 -2.666 306 HA ALA 15 HA ALA 15 -5.949 5.025 -3.656 307 1HB ALA 15 1HB ALA 15 -7.065 3.695 -1.770 308 2HB ALA 15 2HB ALA 15 -6.753 5.399 -1.440 309 3HB ALA 15 3HB ALA 15 -5.691 4.161 -0.768 310 H TRP 16 HN TRP 16 -2.976 3.767 -3.010 311 HA TRP 16 HA TRP 16 -1.956 6.422 -2.096 312 1HB TRP 16 2HB TRP 16 -0.464 5.413 -0.669 313 2HB TRP 16 1HB TRP 16 -1.693 4.153 -0.665 314 HD1 TRP 16 HD1 TRP 16 -0.823 1.831 -1.194 315 HE1 TRP 16 HE1 TRP 16 1.225 0.862 -2.429 316 HE3 TRP 16 HE3 TRP 16 1.341 6.138 -2.748 317 HZ2 TRP 16 HZ2 TRP 16 3.502 1.809 -3.882 318 HZ3 TRP 16 HZ3 TRP 16 3.453 6.098 -4.055 319 HH2 TRP 16 HH2 TRP 16 4.537 3.941 -4.621 320 H VAL 17 HN VAL 17 -1.188 3.534 -4.052 321 HA VAL 17 HA VAL 17 0.997 4.766 -5.446 322 HB VAL 17 HB VAL 17 -0.120 2.226 -5.376 323 1HG1 VAL 17 1HG1 VAL 17 -0.503 3.358 -8.164 324 2HG1 VAL 17 2HG1 VAL 17 -1.795 2.835 -7.083 325 3HG1 VAL 17 3HG1 VAL 17 -0.645 1.657 -7.717 326 1HG2 VAL 17 1HG2 VAL 17 1.711 2.846 -7.631 327 2HG2 VAL 17 2HG2 VAL 17 1.878 1.657 -6.338 328 3HG2 VAL 17 3HG2 VAL 17 2.244 3.357 -6.028 329 H GLY 18 HN GLY 18 -2.491 4.556 -6.083 330 1HA GLY 18 2HA GLY 18 -2.399 5.952 -8.599 331 2HA GLY 18 1HA GLY 18 -3.826 5.803 -7.568 332 H GLU 19 HN GLU 19 -1.630 6.969 -5.492 333 HA GLU 19 HA GLU 19 -2.407 9.792 -6.016 334 1HB GLU 19 2HB GLU 19 -1.207 8.699 -3.467 335 2HB GLU 19 1HB GLU 19 -2.213 10.142 -3.676 336 1HG GLU 19 2HG GLU 19 -3.096 7.259 -3.947 337 2HG GLU 19 1HG GLU 19 -3.553 8.383 -2.668 338 H ILE 20 HN ILE 20 0.285 8.190 -4.346 339 HA ILE 20 HA ILE 20 2.171 10.258 -4.883 340 HB ILE 20 HB ILE 20 2.348 7.373 -4.079 341 1HG1 ILE 20 2HG1 ILE 20 2.955 9.974 -2.654 342 2HG1 ILE 20 1HG1 ILE 20 1.503 8.990 -2.440 343 1HG2 ILE 20 1HG2 ILE 20 4.412 7.727 -5.269 344 2HG2 ILE 20 2HG2 ILE 20 4.791 7.890 -3.555 345 3HG2 ILE 20 3HG2 ILE 20 4.614 9.328 -4.559 346 1HD1 ILE 20 1HD1 ILE 20 2.610 7.868 -0.827 347 2HD1 ILE 20 2HD1 ILE 20 4.130 8.662 -1.240 348 3HD1 ILE 20 3HD1 ILE 20 3.636 7.203 -2.099 349 H MET 21 HN MET 21 1.799 7.034 -6.352 350 HA MET 21 HA MET 21 3.837 7.131 -8.237 351 1HB MET 21 2HB MET 21 1.739 5.453 -7.724 352 2HB MET 21 1HB MET 21 1.310 6.079 -9.321 353 1HG MET 21 2HG MET 21 4.034 4.971 -8.615 354 2HG MET 21 1HG MET 21 2.747 4.006 -9.347 355 1HE MET 21 1HE MET 21 2.877 3.983 -12.462 356 2HE MET 21 2HE MET 21 3.545 3.237 -11.013 357 3HE MET 21 3HE MET 21 4.629 3.918 -12.224 358 H ASN 22 HN ASN 22 0.914 9.025 -8.181 359 HA ASN 22 HA ASN 22 1.802 10.273 -10.744 360 1HB ASN 22 2HB ASN 22 -0.712 10.686 -11.158 361 2HB ASN 22 1HB ASN 22 -0.103 9.051 -11.443 362 1HD2 ASN 22 1HD2 ASN 22 -2.697 8.919 -11.017 363 2HD2 ASN 22 2HD2 ASN 22 -3.101 8.507 -9.412 364 H SER 23 HN SER 23 2.117 10.950 -7.832 365 HA SER 23 HA SER 23 0.421 13.337 -7.505 366 1HB SER 23 2HB SER 23 1.744 13.609 -5.381 367 2HB SER 23 1HB SER 23 0.905 12.066 -5.501 368 HG SER 23 HG SER 23 3.143 11.918 -4.851 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -9.548 14.203 3.373 2 2H GLY 1 2H GLY 1 -10.434 12.765 3.197 3 3H GLY 1 3H GLY 1 -9.320 13.232 2.002 4 1HA GLY 1 2HA GLY 1 -8.182 12.997 4.643 5 2HA GLY 1 1HA GLY 1 -8.794 11.483 3.974 6 H ILE 2 HN ILE 2 -6.035 13.160 4.227 7 HA ILE 2 HA ILE 2 -4.785 11.744 2.013 8 HB ILE 2 HB ILE 2 -3.822 14.217 1.346 9 1HG1 ILE 2 2HG1 ILE 2 -5.762 15.717 1.085 10 2HG1 ILE 2 1HG1 ILE 2 -6.791 14.539 1.908 11 1HG2 ILE 2 1HG2 ILE 2 -6.065 13.819 -0.313 12 2HG2 ILE 2 2HG2 ILE 2 -5.582 12.212 0.230 13 3HG2 ILE 2 3HG2 ILE 2 -4.419 13.250 -0.594 14 1HD1 ILE 2 1HD1 ILE 2 -4.585 16.240 3.045 15 2HD1 ILE 2 2HD1 ILE 2 -5.018 14.720 3.827 16 3HD1 ILE 2 3HD1 ILE 2 -6.223 15.996 3.651 17 H GLY 3 HN GLY 3 -4.045 11.194 4.375 18 1HA GLY 3 2HA GLY 3 -1.408 12.448 4.703 19 2HA GLY 3 1HA GLY 3 -2.500 12.639 6.080 20 H LYS 4 HN LYS 4 -2.789 9.814 4.118 21 HA LYS 4 HA LYS 4 -1.247 8.210 6.102 22 1HB LYS 4 2HB LYS 4 -3.288 6.511 5.462 23 2HB LYS 4 1HB LYS 4 -3.260 7.510 6.914 24 1HG LYS 4 2HG LYS 4 -4.385 9.331 5.484 25 2HG LYS 4 1HG LYS 4 -4.682 8.056 4.301 26 1HD LYS 4 2HD LYS 4 -5.592 8.048 7.196 27 2HD LYS 4 1HD LYS 4 -6.622 8.303 5.788 28 1HE LYS 4 HE2 LYS 4 -6.497 6.082 5.120 29 2HE LYS 4 HE1 LYS 4 -4.942 5.823 5.907 30 1HZ LYS 4 1HZ LYS 4 -6.968 6.530 7.779 31 2HZ LYS 4 2HZ LYS 4 -5.936 5.181 7.763 32 3HZ LYS 4 3HZ LYS 4 -7.397 5.145 6.900 33 H TYR 5 HN TYR 5 -2.874 8.288 2.935 34 HA TYR 5 HA TYR 5 -1.561 5.966 1.887 35 1HB TYR 5 2HB TYR 5 -2.523 8.276 0.220 36 2HB TYR 5 1HB TYR 5 -2.526 6.554 -0.159 37 HD1 TYR 5 HD1 TYR 5 -4.115 5.013 0.951 38 HD2 TYR 5 HD2 TYR 5 -4.310 9.265 1.518 39 HE1 TYR 5 HE1 TYR 5 -6.407 4.778 1.859 40 HE2 TYR 5 HE2 TYR 5 -6.608 9.035 2.429 41 HH TYR 5 HH TYR 5 -8.032 5.873 3.049 42 H LEU 6 HN LEU 6 -0.566 9.219 2.396 43 HA LEU 6 HA LEU 6 1.702 8.897 0.529 44 1HB LEU 6 2HB LEU 6 0.541 11.245 2.039 45 2HB LEU 6 1HB LEU 6 2.081 11.346 1.186 46 HG LEU 6 HG LEU 6 1.098 11.171 -0.888 47 1HD1 LEU 6 1HD1 LEU 6 -1.068 10.113 -1.361 48 2HD1 LEU 6 2HD1 LEU 6 -1.324 9.858 0.366 49 3HD1 LEU 6 3HD1 LEU 6 -0.022 9.003 -0.467 50 1HD2 LEU 6 1HD2 LEU 6 -0.044 13.096 -0.731 51 2HD2 LEU 6 2HD2 LEU 6 -0.304 12.807 0.990 52 3HD2 LEU 6 3HD2 LEU 6 -1.460 12.192 -0.193 53 H HIS 7 HN HIS 7 1.057 8.197 3.706 54 HA HIS 7 HA HIS 7 3.951 8.436 4.377 55 1HB HIS 7 2HB HIS 7 1.817 8.971 6.439 56 2HB HIS 7 1HB HIS 7 3.533 9.381 6.496 57 HD1 HIS 7 HD1 HIS 7 4.113 10.910 4.067 58 HD2 HIS 7 HD2 HIS 7 0.423 11.301 5.966 59 HE1 HIS 7 HE1 HIS 7 3.132 13.109 3.279 60 H SER 8 HN SER 8 0.867 6.787 4.853 61 HA SER 8 HA SER 8 2.319 4.640 6.320 62 1HB SER 8 2HB SER 8 0.059 5.804 7.115 63 2HB SER 8 1HB SER 8 -0.657 4.626 6.017 64 HG SER 8 HG SER 8 -0.174 3.101 7.383 65 H ALA 9 HN ALA 9 0.381 5.312 3.458 66 HA ALA 9 HA ALA 9 0.230 2.513 2.662 67 1HB ALA 9 1HB ALA 9 -0.171 5.059 1.067 68 2HB ALA 9 2HB ALA 9 -1.439 4.106 1.845 69 3HB ALA 9 3HB ALA 9 -0.538 3.433 0.487 70 H LYS 10 HN LYS 10 1.969 5.330 1.261 71 HA LYS 10 HA LYS 10 3.564 4.060 -0.595 72 1HB LYS 10 2HB LYS 10 5.436 5.661 0.139 73 2HB LYS 10 1HB LYS 10 3.903 6.393 -0.338 74 1HG LYS 10 2HG LYS 10 3.853 7.411 1.672 75 2HG LYS 10 1HG LYS 10 3.631 5.821 2.403 76 1HD LYS 10 2HD LYS 10 5.569 6.892 3.422 77 2HD LYS 10 1HD LYS 10 6.113 5.536 2.433 78 1HE LYS 10 HE2 LYS 10 7.202 6.884 0.965 79 2HE LYS 10 HE1 LYS 10 5.909 8.083 0.968 80 1HZ LYS 10 1HZ LYS 10 6.708 8.755 3.213 81 2HZ LYS 10 2HZ LYS 10 7.805 9.071 1.955 82 3HZ LYS 10 3HZ LYS 10 8.053 7.745 2.989 83 H LYS 11 HN LYS 11 3.955 3.902 2.915 84 HA LYS 11 HA LYS 11 6.486 2.572 2.954 85 1HB LYS 11 2HB LYS 11 4.273 3.053 4.831 86 2HB LYS 11 1HB LYS 11 5.105 1.524 5.113 87 1HG LYS 11 2HG LYS 11 6.515 2.867 6.321 88 2HG LYS 11 1HG LYS 11 7.247 3.118 4.737 89 1HD LYS 11 2HD LYS 11 5.166 4.958 4.780 90 2HD LYS 11 1HD LYS 11 5.795 5.009 6.428 91 1HE LYS 11 HE2 LYS 11 7.299 5.490 3.852 92 2HE LYS 11 HE1 LYS 11 7.096 6.593 5.212 93 1HZ LYS 11 1HZ LYS 11 9.205 5.753 5.536 94 2HZ LYS 11 2HZ LYS 11 8.791 4.191 5.009 95 3HZ LYS 11 3HZ LYS 11 8.272 4.743 6.530 96 H PHE 12 HN PHE 12 3.260 1.092 3.446 97 HA PHE 12 HA PHE 12 4.216 -1.571 2.906 98 1HB PHE 12 2HB PHE 12 1.350 -0.843 2.418 99 2HB PHE 12 1HB PHE 12 2.022 -2.256 3.237 100 HD1 PHE 12 HD1 PHE 12 3.920 -0.913 5.118 101 HD2 PHE 12 HD2 PHE 12 -0.128 0.049 4.052 102 HE1 PHE 12 HE1 PHE 12 3.609 0.210 7.308 103 HE2 PHE 12 HE2 PHE 12 -0.439 1.171 6.241 104 HZ PHE 12 HZ PHE 12 1.430 1.251 7.869 105 H GLY 13 HN GLY 13 2.839 1.009 0.952 106 1HA GLY 13 2HA GLY 13 2.127 -0.214 -1.414 107 2HA GLY 13 1HA GLY 13 3.003 1.314 -1.380 108 H LYS 14 HN LYS 14 5.407 0.317 -0.193 109 HA LYS 14 HA LYS 14 6.538 -0.991 -2.587 110 1HB LYS 14 2HB LYS 14 7.819 0.247 -0.137 111 2HB LYS 14 1HB LYS 14 8.731 -0.502 -1.447 112 1HG LYS 14 2HG LYS 14 7.188 1.135 -2.914 113 2HG LYS 14 1HG LYS 14 7.221 2.066 -1.417 114 1HD LYS 14 2HD LYS 14 9.150 2.884 -2.366 115 2HD LYS 14 1HD LYS 14 9.832 1.461 -1.575 116 1HE LYS 14 HE2 LYS 14 8.685 0.983 -4.260 117 2HE LYS 14 HE1 LYS 14 10.127 1.997 -4.229 118 1HZ LYS 14 1HZ LYS 14 11.270 0.293 -2.972 119 2HZ LYS 14 2HZ LYS 14 10.674 -0.357 -4.424 120 3HZ LYS 14 3HZ LYS 14 9.879 -0.676 -2.956 121 H ALA 15 HN ALA 15 5.645 -1.792 0.659 122 HA ALA 15 HA ALA 15 7.331 -4.226 0.610 123 1HB ALA 15 1HB ALA 15 6.372 -4.566 2.919 124 2HB ALA 15 2HB ALA 15 5.522 -3.033 2.723 125 3HB ALA 15 3HB ALA 15 7.285 -3.070 2.725 126 H TRP 16 HN TRP 16 3.869 -3.429 1.057 127 HA TRP 16 HA TRP 16 2.838 -6.023 1.057 128 1HB TRP 16 2HB TRP 16 0.750 -5.057 0.731 129 2HB TRP 16 1HB TRP 16 1.673 -3.686 1.334 130 HD1 TRP 16 HD1 TRP 16 1.545 -1.582 -0.097 131 HE1 TRP 16 HE1 TRP 16 0.912 -1.053 -2.543 132 HE3 TRP 16 HE3 TRP 16 0.791 -6.287 -1.802 133 HZ2 TRP 16 HZ2 TRP 16 0.177 -2.469 -4.927 134 HZ3 TRP 16 HZ3 TRP 16 0.120 -6.692 -4.175 135 HH2 TRP 16 HH2 TRP 16 -0.185 -4.795 -5.728 136 H VAL 17 HN VAL 17 3.624 -3.984 -1.740 137 HA VAL 17 HA VAL 17 2.628 -5.725 -3.729 138 HB VAL 17 HB VAL 17 3.744 -3.327 -3.856 139 1HG1 VAL 17 1HG1 VAL 17 6.010 -3.482 -4.900 140 2HG1 VAL 17 2HG1 VAL 17 6.047 -5.196 -4.490 141 3HG1 VAL 17 3HG1 VAL 17 5.998 -3.984 -3.210 142 1HG2 VAL 17 1HG2 VAL 17 2.749 -5.078 -5.656 143 2HG2 VAL 17 2HG2 VAL 17 4.415 -4.972 -6.232 144 3HG2 VAL 17 3HG2 VAL 17 3.428 -3.515 -6.113 145 H GLY 18 HN GLY 18 5.916 -5.615 -2.303 146 1HA GLY 18 2HA GLY 18 6.919 -7.860 -3.714 147 2HA GLY 18 1HA GLY 18 7.511 -7.331 -2.135 148 H GLU 19 HN GLU 19 4.479 -7.678 -1.332 149 HA GLU 19 HA GLU 19 4.802 -10.464 -0.414 150 1HB GLU 19 2HB GLU 19 2.511 -8.538 0.099 151 2HB GLU 19 1HB GLU 19 2.917 -9.987 1.032 152 1HG GLU 19 2HG GLU 19 4.413 -7.382 0.869 153 2HG GLU 19 1HG GLU 19 3.734 -8.151 2.298 154 H ILE 20 HN ILE 20 2.159 -8.551 -1.743 155 HA ILE 20 HA ILE 20 0.756 -10.846 -2.796 156 HB ILE 20 HB ILE 20 0.511 -7.860 -2.996 157 1HG1 ILE 20 2HG1 ILE 20 -1.238 -10.041 -1.825 158 2HG1 ILE 20 1HG1 ILE 20 -0.195 -8.940 -0.916 159 1HG2 ILE 20 1HG2 ILE 20 -1.634 -8.223 -4.228 160 2HG2 ILE 20 2HG2 ILE 20 -1.239 -9.937 -4.363 161 3HG2 ILE 20 3HG2 ILE 20 -0.231 -8.735 -5.169 162 1HD1 ILE 20 1HD1 ILE 20 -1.565 -7.103 -1.308 163 2HD1 ILE 20 2HD1 ILE 20 -2.761 -8.394 -1.196 164 3HD1 ILE 20 3HD1 ILE 20 -2.252 -7.798 -2.776 165 H MET 21 HN MET 21 2.528 -8.139 -4.259 166 HA MET 21 HA MET 21 2.254 -9.052 -6.956 167 1HB MET 21 2HB MET 21 3.526 -6.886 -5.546 168 2HB MET 21 1HB MET 21 4.623 -7.534 -6.768 169 1HG MET 21 2HG MET 21 3.068 -5.715 -7.568 170 2HG MET 21 1HG MET 21 2.988 -7.215 -8.492 171 1HE MET 21 1HE MET 21 -0.100 -5.039 -8.222 172 2HE MET 21 2HE MET 21 -0.258 -6.518 -9.166 173 3HE MET 21 3HE MET 21 1.259 -5.622 -9.194 174 H ASN 22 HN ASN 22 4.152 -10.270 -4.397 175 HA ASN 22 HA ASN 22 6.050 -11.517 -6.344 176 1HB ASN 22 2HB ASN 22 6.843 -10.146 -4.244 177 2HB ASN 22 1HB ASN 22 6.432 -11.623 -3.366 178 1HD2 ASN 22 1HD2 ASN 22 8.030 -13.211 -3.323 179 2HD2 ASN 22 2HD2 ASN 22 9.357 -13.286 -4.393 180 H SER 23 HN SER 23 3.592 -12.134 -3.938 181 HA SER 23 HA SER 23 3.889 -15.058 -4.501 182 1HB SER 23 2HB SER 23 3.567 -13.581 -1.962 183 2HB SER 23 1HB SER 23 2.512 -14.981 -2.140 184 HG SER 23 HG SER 23 4.718 -15.315 -1.251 185 1H GLY 1 1H GLY 1 6.069 -10.716 10.365 186 2H GLY 1 2H GLY 1 5.135 -12.085 10.736 187 3H GLY 1 3H GLY 1 4.378 -10.640 10.258 188 1HA GLY 1 2HA GLY 1 6.312 -11.681 8.371 189 2HA GLY 1 1HA GLY 1 4.878 -12.681 8.606 190 H ILE 2 HN ILE 2 2.888 -11.933 7.846 191 HA ILE 2 HA ILE 2 2.813 -9.193 6.691 192 HB ILE 2 HB ILE 2 1.652 -10.183 4.664 193 1HG1 ILE 2 2HG1 ILE 2 2.888 -12.762 4.807 194 2HG1 ILE 2 1HG1 ILE 2 1.912 -12.539 6.264 195 1HG2 ILE 2 1HG2 ILE 2 4.245 -9.640 5.053 196 2HG2 ILE 2 2HG2 ILE 2 3.663 -10.345 3.544 197 3HG2 ILE 2 3HG2 ILE 2 4.388 -11.376 4.779 198 1HD1 ILE 2 1HD1 ILE 2 0.320 -11.511 4.214 199 2HD1 ILE 2 2HD1 ILE 2 0.117 -13.074 5.006 200 3HD1 ILE 2 3HD1 ILE 2 1.046 -12.955 3.512 201 H GLY 3 HN GLY 3 1.164 -8.291 7.834 202 1HA GLY 3 2HA GLY 3 -1.394 -9.820 7.995 203 2HA GLY 3 1HA GLY 3 -0.771 -8.982 9.415 204 H LYS 4 HN LYS 4 0.230 -6.810 7.426 205 HA LYS 4 HA LYS 4 -2.425 -5.464 7.151 206 1HB LYS 4 2HB LYS 4 -0.477 -3.469 7.018 207 2HB LYS 4 1HB LYS 4 -1.490 -3.834 8.413 208 1HG LYS 4 2HG LYS 4 0.286 -5.601 9.023 209 2HG LYS 4 1HG LYS 4 1.318 -4.793 7.842 210 1HD LYS 4 2HD LYS 4 1.627 -2.969 9.172 211 2HD LYS 4 1HD LYS 4 -0.036 -2.994 9.758 212 1HE LYS 4 HE2 LYS 4 1.386 -5.337 10.684 213 2HE LYS 4 HE1 LYS 4 2.256 -3.873 11.141 214 1HZ LYS 4 1HZ LYS 4 0.398 -4.743 12.665 215 2HZ LYS 4 2HZ LYS 4 -0.660 -4.055 11.526 216 3HZ LYS 4 3HZ LYS 4 0.469 -3.080 12.339 217 H TYR 5 HN TYR 5 0.408 -6.570 5.547 218 HA TYR 5 HA TYR 5 0.130 -4.872 3.197 219 1HB TYR 5 2HB TYR 5 1.624 -7.467 3.233 220 2HB TYR 5 1HB TYR 5 2.009 -5.958 2.411 221 HD1 TYR 5 HD1 TYR 5 2.712 -3.932 3.787 222 HD2 TYR 5 HD2 TYR 5 2.462 -7.906 5.405 223 HE1 TYR 5 HE1 TYR 5 4.141 -3.248 5.694 224 HE2 TYR 5 HE2 TYR 5 3.891 -7.219 7.313 225 HH TYR 5 HH TYR 5 5.644 -4.303 7.335 226 H LEU 6 HN LEU 6 -1.139 -7.925 4.279 227 HA LEU 6 HA LEU 6 -2.263 -8.350 1.551 228 1HB LEU 6 2HB LEU 6 -1.485 -10.183 3.795 229 2HB LEU 6 1HB LEU 6 -2.760 -10.691 2.687 230 HG LEU 6 HG LEU 6 -0.261 -11.288 2.166 231 1HD1 LEU 6 1HD1 LEU 6 -2.222 -11.699 0.698 232 2HD1 LEU 6 2HD1 LEU 6 -0.787 -11.254 -0.224 233 3HD1 LEU 6 3HD1 LEU 6 -2.062 -10.065 0.057 234 1HD2 LEU 6 1HD2 LEU 6 0.860 -9.593 0.765 235 2HD2 LEU 6 2HD2 LEU 6 0.577 -8.960 2.386 236 3HD2 LEU 6 3HD2 LEU 6 -0.466 -8.464 1.051 237 H HIS 7 HN HIS 7 -3.178 -6.768 4.139 238 HA HIS 7 HA HIS 7 -6.015 -7.462 3.750 239 1HB HIS 7 2HB HIS 7 -5.065 -7.354 6.594 240 2HB HIS 7 1HB HIS 7 -6.473 -8.177 5.916 241 HD1 HIS 7 HD1 HIS 7 -6.147 -10.568 5.047 242 HD2 HIS 7 HD2 HIS 7 -2.561 -8.744 6.129 243 HE1 HIS 7 HE1 HIS 7 -4.359 -12.363 4.927 244 H SER 8 HN SER 8 -3.912 -5.164 3.583 245 HA SER 8 HA SER 8 -5.791 -3.069 4.265 246 1HB SER 8 2HB SER 8 -3.448 -3.626 6.057 247 2HB SER 8 1HB SER 8 -3.958 -1.960 5.802 248 HG SER 8 HG SER 8 -5.325 -2.461 7.336 249 H ALA 9 HN ALA 9 -2.456 -3.952 3.463 250 HA ALA 9 HA ALA 9 -1.701 -1.437 2.341 251 1HB ALA 9 1HB ALA 9 -0.066 -2.817 1.004 252 2HB ALA 9 2HB ALA 9 -0.809 -4.264 1.698 253 3HB ALA 9 3HB ALA 9 0.004 -3.091 2.743 254 H LYS 10 HN LYS 10 -2.539 -4.413 0.551 255 HA LYS 10 HA LYS 10 -2.830 -3.572 -1.998 256 1HB LYS 10 2HB LYS 10 -4.045 -5.614 -0.475 257 2HB LYS 10 1HB LYS 10 -5.345 -4.827 -1.371 258 1HG LYS 10 2HG LYS 10 -2.856 -5.337 -2.901 259 2HG LYS 10 1HG LYS 10 -3.778 -6.766 -2.435 260 1HD LYS 10 2HD LYS 10 -4.626 -6.070 -4.570 261 2HD LYS 10 1HD LYS 10 -5.836 -5.614 -3.370 262 1HE LYS 10 HE2 LYS 10 -3.976 -3.465 -3.562 263 2HE LYS 10 HE1 LYS 10 -4.432 -3.920 -5.204 264 1HZ LYS 10 1HZ LYS 10 -6.757 -3.992 -3.728 265 2HZ LYS 10 2HZ LYS 10 -6.310 -2.822 -4.877 266 3HZ LYS 10 3HZ LYS 10 -5.962 -2.577 -3.231 267 H LYS 11 HN LYS 11 -5.266 -2.794 0.504 268 HA LYS 11 HA LYS 11 -7.077 -1.402 -1.167 269 1HB LYS 11 2HB LYS 11 -6.353 -0.581 1.659 270 2HB LYS 11 1HB LYS 11 -7.892 -0.334 0.833 271 1HG LYS 11 2HG LYS 11 -7.557 -3.058 0.617 272 2HG LYS 11 1HG LYS 11 -6.866 -2.725 2.206 273 1HD LYS 11 2HD LYS 11 -8.957 -2.624 3.029 274 2HD LYS 11 1HD LYS 11 -9.216 -1.173 2.060 275 1HE LYS 11 HE2 LYS 11 -9.930 -2.569 0.154 276 2HE LYS 11 HE1 LYS 11 -9.668 -4.022 1.118 277 1HZ LYS 11 1HZ LYS 11 -11.447 -1.873 2.076 278 2HZ LYS 11 2HZ LYS 11 -11.421 -3.513 2.518 279 3HZ LYS 11 3HZ LYS 11 -12.017 -3.050 0.997 280 H PHE 12 HN PHE 12 -4.601 0.135 0.919 281 HA PHE 12 HA PHE 12 -4.716 2.614 -0.576 282 1HB PHE 12 2HB PHE 12 -2.294 1.901 1.039 283 2HB PHE 12 1HB PHE 12 -3.179 3.429 0.967 284 HD1 PHE 12 HD1 PHE 12 -5.951 2.570 1.443 285 HD2 PHE 12 HD2 PHE 12 -2.307 1.275 3.312 286 HE1 PHE 12 HE1 PHE 12 -7.221 1.930 3.475 287 HE2 PHE 12 HE2 PHE 12 -3.576 0.636 5.344 288 HZ PHE 12 HZ PHE 12 -6.033 0.963 5.426 289 H GLY 13 HN GLY 13 -2.632 -0.239 -0.583 290 1HA GLY 13 2HA GLY 13 -0.503 0.508 -2.173 291 2HA GLY 13 1HA GLY 13 -1.289 -1.062 -2.336 292 H LYS 14 HN LYS 14 -3.849 -0.046 -3.215 293 HA LYS 14 HA LYS 14 -3.057 0.640 -5.994 294 1HB LYS 14 2HB LYS 14 -5.353 -0.747 -4.728 295 2HB LYS 14 1HB LYS 14 -5.723 0.222 -6.155 296 1HG LYS 14 2HG LYS 14 -3.434 -1.751 -6.113 297 2HG LYS 14 1HG LYS 14 -5.069 -2.225 -6.577 298 1HD LYS 14 2HD LYS 14 -3.802 0.182 -7.852 299 2HD LYS 14 1HD LYS 14 -3.390 -1.433 -8.432 300 1HE LYS 14 HE2 LYS 14 -5.824 -1.906 -8.721 301 2HE LYS 14 HE1 LYS 14 -6.171 -0.241 -8.256 302 1HZ LYS 14 1HZ LYS 14 -5.488 -1.201 -10.776 303 2HZ LYS 14 2HZ LYS 14 -4.185 -0.250 -10.244 304 3HZ LYS 14 3HZ LYS 14 -5.749 0.410 -10.312 305 H ALA 15 HN ALA 15 -4.320 2.132 -3.203 306 HA ALA 15 HA ALA 15 -5.593 4.275 -4.833 307 1HB ALA 15 1HB ALA 15 -6.736 4.956 -2.854 308 2HB ALA 15 2HB ALA 15 -5.645 4.035 -1.819 309 3HB ALA 15 3HB ALA 15 -6.805 3.193 -2.848 310 H TRP 16 HN TRP 16 -3.313 3.875 -2.113 311 HA TRP 16 HA TRP 16 -2.470 6.524 -1.853 312 1HB TRP 16 2HB TRP 16 -0.721 5.692 -0.581 313 2HB TRP 16 1HB TRP 16 -1.826 4.326 -0.543 314 HD1 TRP 16 HD1 TRP 16 -0.794 2.088 -1.217 315 HE1 TRP 16 HE1 TRP 16 1.291 1.344 -2.541 316 HE3 TRP 16 HE3 TRP 16 0.927 6.613 -2.651 317 HZ2 TRP 16 HZ2 TRP 16 3.435 2.553 -4.030 318 HZ3 TRP 16 HZ3 TRP 16 2.997 6.822 -4.028 319 HH2 TRP 16 HH2 TRP 16 4.248 4.802 -4.716 320 H VAL 17 HN VAL 17 -1.251 4.050 -4.118 321 HA VAL 17 HA VAL 17 0.810 5.645 -5.239 322 HB VAL 17 HB VAL 17 0.074 3.114 -5.630 323 1HG1 VAL 17 1HG1 VAL 17 -1.152 4.602 -7.970 324 2HG1 VAL 17 2HG1 VAL 17 -2.002 3.587 -6.805 325 3HG1 VAL 17 3HG1 VAL 17 -0.858 2.863 -7.934 326 1HG2 VAL 17 1HG2 VAL 17 1.256 4.461 -8.026 327 2HG2 VAL 17 2HG2 VAL 17 1.803 3.022 -7.165 328 3HG2 VAL 17 3HG2 VAL 17 2.089 4.623 -6.480 329 H GLY 18 HN GLY 18 -2.603 5.291 -6.253 330 1HA GLY 18 2HA GLY 18 -2.500 7.155 -8.398 331 2HA GLY 18 1HA GLY 18 -3.956 6.774 -7.474 332 H GLU 19 HN GLU 19 -2.143 7.628 -5.043 333 HA GLU 19 HA GLU 19 -3.003 10.456 -5.094 334 1HB GLU 19 2HB GLU 19 -1.681 8.922 -2.836 335 2HB GLU 19 1HB GLU 19 -2.663 10.391 -2.714 336 1HG GLU 19 2HG GLU 19 -3.956 8.055 -3.995 337 2HG GLU 19 1HG GLU 19 -3.637 7.912 -2.268 338 H ILE 20 HN ILE 20 -0.156 8.719 -3.892 339 HA ILE 20 HA ILE 20 1.581 10.994 -4.122 340 HB ILE 20 HB ILE 20 1.888 8.064 -3.609 341 1HG1 ILE 20 2HG1 ILE 20 2.538 10.605 -2.104 342 2HG1 ILE 20 1HG1 ILE 20 1.242 9.458 -1.764 343 1HG2 ILE 20 1HG2 ILE 20 3.818 8.640 -5.043 344 2HG2 ILE 20 2HG2 ILE 20 4.348 8.381 -3.380 345 3HG2 ILE 20 3HG2 ILE 20 4.184 10.022 -4.008 346 1HD1 ILE 20 1HD1 ILE 20 3.584 9.381 -0.454 347 2HD1 ILE 20 2HD1 ILE 20 4.017 8.370 -1.832 348 3HD1 ILE 20 3HD1 ILE 20 2.657 7.922 -0.803 349 H MET 21 HN MET 21 1.282 7.999 -6.026 350 HA MET 21 HA MET 21 3.264 8.587 -7.943 351 1HB MET 21 2HB MET 21 1.438 6.552 -7.514 352 2HB MET 21 1HB MET 21 0.933 7.224 -9.071 353 1HG MET 21 2HG MET 21 3.812 6.559 -8.432 354 2HG MET 21 1HG MET 21 2.707 5.388 -9.160 355 1HE MET 21 1HE MET 21 3.274 5.503 -12.387 356 2HE MET 21 2HE MET 21 1.653 6.157 -12.174 357 3HE MET 21 3HE MET 21 2.286 4.997 -11.010 358 H ASN 22 HN ASN 22 0.232 10.109 -7.429 359 HA ASN 22 HA ASN 22 0.243 11.229 -10.190 360 1HB ASN 22 2HB ASN 22 -2.032 11.578 -9.992 361 2HB ASN 22 1HB ASN 22 -1.864 10.220 -8.877 362 1HD2 ASN 22 1HD2 ASN 22 -1.924 13.822 -8.932 363 2HD2 ASN 22 2HD2 ASN 22 -2.545 13.984 -7.350 364 H SER 23 HN SER 23 0.079 12.237 -6.771 365 HA SER 23 HA SER 23 0.958 14.961 -7.627 366 1HB SER 23 2HB SER 23 -0.960 15.319 -6.359 367 2HB SER 23 1HB SER 23 -0.660 13.922 -5.327 368 HG SER 23 HG SER 23 -0.242 16.183 -4.501
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